smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000429562172 1125460072 /nfs/dbraw/zinc/46/00/72/1125460072.db2.gz YTVIZPBRWCOXLC-GOSISDBHSA-N 2 1 274.452 3.726 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CCC(F)(F)CC1 ZINC000623561207 1117872719 /nfs/dbraw/zinc/87/27/19/1117872719.db2.gz FLWGORZRVBREHC-GXTWGEPZSA-N 2 1 288.426 3.663 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000130651254 1125483950 /nfs/dbraw/zinc/48/39/50/1125483950.db2.gz MNRJQLQNZJQCLB-HIFRSBDPSA-N 2 1 286.419 3.656 20 0 CHADMP Cc1oc2ccccc2c1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000130651254 1125483954 /nfs/dbraw/zinc/48/39/54/1125483954.db2.gz MNRJQLQNZJQCLB-HIFRSBDPSA-N 2 1 286.419 3.656 20 0 CHADMP Cc1oc2ccccc2c1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000130651254 1125483961 /nfs/dbraw/zinc/48/39/61/1125483961.db2.gz MNRJQLQNZJQCLB-HIFRSBDPSA-N 2 1 286.419 3.656 20 0 CHADMP Cc1oc2ccccc2c1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000130651254 1125483964 /nfs/dbraw/zinc/48/39/64/1125483964.db2.gz MNRJQLQNZJQCLB-HIFRSBDPSA-N 2 1 286.419 3.656 20 0 CHADMP C[C@H](CC[NH2+][C@@H](C)c1ccsc1)[NH+]1CCCCC1 ZINC000184501817 1118055031 /nfs/dbraw/zinc/05/50/31/1118055031.db2.gz IYUBWXPFCPJELF-KGLIPLIRSA-N 2 1 266.454 3.663 20 0 CHADMP CCC[C@H](C)CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000625421604 1118519000 /nfs/dbraw/zinc/51/90/00/1118519000.db2.gz BNPPZCBBOQAHGT-PMRDEQMMSA-N 2 1 266.473 3.760 20 0 CHADMP CCC[C@H](C)CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000625421604 1118519001 /nfs/dbraw/zinc/51/90/01/1118519001.db2.gz BNPPZCBBOQAHGT-PMRDEQMMSA-N 2 1 266.473 3.760 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1cccnc1 ZINC000112527196 1125486714 /nfs/dbraw/zinc/48/67/14/1125486714.db2.gz NKLDKZPDNBUMFG-MRXNPFEDSA-N 2 1 297.446 3.773 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1Cl ZINC000414189018 1119931232 /nfs/dbraw/zinc/93/12/32/1119931232.db2.gz QVKCNCWNXXLJRV-KBPBESRZSA-N 2 1 280.843 3.723 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccsc1 ZINC000663467515 1120981891 /nfs/dbraw/zinc/98/18/91/1120981891.db2.gz GMECWRYQVVVXIJ-DZGCQCFKSA-N 2 1 278.465 3.521 20 0 CHADMP Clc1csc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000710264687 1121474717 /nfs/dbraw/zinc/47/47/17/1121474717.db2.gz PGCXGRDQYMRKBG-CYBMUJFWSA-N 2 1 298.883 3.613 20 0 CHADMP CC(C)C[C@H]1CCCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000502855859 1122152314 /nfs/dbraw/zinc/15/23/14/1122152314.db2.gz LMTWWPHZYIJMHI-DLBZAZTESA-N 2 1 266.473 3.761 20 0 CHADMP CC(C)C[C@H]1CCCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000502855859 1122152320 /nfs/dbraw/zinc/15/23/20/1122152320.db2.gz LMTWWPHZYIJMHI-DLBZAZTESA-N 2 1 266.473 3.761 20 0 CHADMP CCCCCC[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001201754152 1123146243 /nfs/dbraw/zinc/14/62/43/1123146243.db2.gz OQXUEUNKCCJUTP-DLBZAZTESA-N 2 1 266.473 3.906 20 0 CHADMP CCCCCC[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001201754152 1123146245 /nfs/dbraw/zinc/14/62/45/1123146245.db2.gz OQXUEUNKCCJUTP-DLBZAZTESA-N 2 1 266.473 3.906 20 0 CHADMP CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCC)C1)c1ccsc1 ZINC000191215645 1123398563 /nfs/dbraw/zinc/39/85/63/1123398563.db2.gz QOBVXISGHKQCFB-HOCLYGCPSA-N 2 1 280.481 3.911 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC000450464175 1125035019 /nfs/dbraw/zinc/03/50/19/1125035019.db2.gz WNEDQDLTTKYXKC-QGZVFWFLSA-N 2 1 264.457 3.541 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC000450464175 1125035025 /nfs/dbraw/zinc/03/50/25/1125035025.db2.gz WNEDQDLTTKYXKC-QGZVFWFLSA-N 2 1 264.457 3.541 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC000450464175 1125035035 /nfs/dbraw/zinc/03/50/35/1125035035.db2.gz WNEDQDLTTKYXKC-QGZVFWFLSA-N 2 1 264.457 3.541 20 0 CHADMP CSc1ccc([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1F ZINC000532188474 1125238073 /nfs/dbraw/zinc/23/80/73/1125238073.db2.gz CQTFRNYEENKDET-GFCCVEGCSA-N 2 1 298.471 3.786 20 0 CHADMP CSc1ccc([C@@H](C)NCCC[N@@H+](C)C(C)C)cc1F ZINC000532200980 1125239257 /nfs/dbraw/zinc/23/92/57/1125239257.db2.gz ZROXNEJJVVWBHF-CYBMUJFWSA-N 2 1 298.471 3.929 20 0 CHADMP CSc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1F ZINC000532200980 1125239261 /nfs/dbraw/zinc/23/92/61/1125239261.db2.gz ZROXNEJJVVWBHF-CYBMUJFWSA-N 2 1 298.471 3.929 20 0 CHADMP CSc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1F ZINC000532200980 1125239264 /nfs/dbraw/zinc/23/92/64/1125239264.db2.gz ZROXNEJJVVWBHF-CYBMUJFWSA-N 2 1 298.471 3.929 20 0 CHADMP CC(C)[N@@H+]([C@H]1CC[C@@H](C)[C@@H](C)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246595924 1131710099 /nfs/dbraw/zinc/71/00/99/1131710099.db2.gz UFKAVLUQOMPHCP-TWMKSMIVSA-N 2 1 266.473 3.664 20 0 CHADMP CCC1CCC([N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)CC1 ZINC001246615782 1131719462 /nfs/dbraw/zinc/71/94/62/1131719462.db2.gz SQJHHJZGAGJPAB-JCYILVPMSA-N 2 1 264.457 3.563 20 0 CHADMP CC[C@H]1CC[C@H]([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173271543 1132436505 /nfs/dbraw/zinc/43/65/05/1132436505.db2.gz QVUVMDLWCCDNMK-QAETUUGQSA-N 2 1 266.473 3.793 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205295747 1133556264 /nfs/dbraw/zinc/55/62/64/1133556264.db2.gz BOAJNTJZHARPFS-FEFZKZJHSA-N 2 1 266.473 3.820 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222464727 1135244680 /nfs/dbraw/zinc/24/46/80/1135244680.db2.gz DLGFAFNBJHCVOC-IAGOWNOFSA-N 2 1 264.457 3.587 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222464727 1135244687 /nfs/dbraw/zinc/24/46/87/1135244687.db2.gz DLGFAFNBJHCVOC-IAGOWNOFSA-N 2 1 264.457 3.587 20 0 CHADMP C(CC1CCCC1)C[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001222287677 1135218265 /nfs/dbraw/zinc/21/82/65/1135218265.db2.gz PETBNDSQESKRKI-UHFFFAOYSA-N 2 1 264.457 3.565 20 0 CHADMP CSc1cc(C)ccc1C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000119274301 1125530532 /nfs/dbraw/zinc/53/05/32/1125530532.db2.gz LLDZLMIAFUHIBP-DZKIICNBSA-N 2 1 292.492 3.535 20 0 CHADMP CSc1cc(C)ccc1C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000119274301 1125530539 /nfs/dbraw/zinc/53/05/39/1125530539.db2.gz LLDZLMIAFUHIBP-DZKIICNBSA-N 2 1 292.492 3.535 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CC=CCC2)C3)cc1 ZINC000245671800 1125587841 /nfs/dbraw/zinc/58/78/41/1125587841.db2.gz HLZWLAHAJHIBTQ-HAGHYFMRSA-N 2 1 296.458 3.880 20 0 CHADMP C[C@H](CC1CC1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245750781 1125593210 /nfs/dbraw/zinc/59/32/10/1125593210.db2.gz UALZSRJMWVHWLN-GEALJGNFSA-N 2 1 298.474 3.960 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](F)C2)cc1 ZINC000348335412 1125593477 /nfs/dbraw/zinc/59/34/77/1125593477.db2.gz QNZRNOKBPPZGMA-APHBMKBZSA-N 2 1 287.382 3.722 20 0 CHADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc([C@@H]3C[C@H]3C)o2)[C@H](C)C1 ZINC000245771695 1125594145 /nfs/dbraw/zinc/59/41/45/1125594145.db2.gz RZASARWNGFBHJO-SRABZTEZSA-N 2 1 290.451 3.565 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc([C@@H]3C[C@H]3C)o2)[C@H](C)C1 ZINC000245771695 1125594162 /nfs/dbraw/zinc/59/41/62/1125594162.db2.gz RZASARWNGFBHJO-SRABZTEZSA-N 2 1 290.451 3.565 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc([C@@H]3C[C@H]3C)o2)[C@H](C)C1 ZINC000245771695 1125594166 /nfs/dbraw/zinc/59/41/66/1125594166.db2.gz RZASARWNGFBHJO-SRABZTEZSA-N 2 1 290.451 3.565 20 0 CHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CCC(C)(C)C)C1 ZINC000533374972 1125603281 /nfs/dbraw/zinc/60/32/81/1125603281.db2.gz MYQGOSITFBPTAR-XHSDSOJGSA-N 2 1 266.473 3.760 20 0 CHADMP C[C@@H]1CC[C@H](C)N1[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC000533374972 1125603285 /nfs/dbraw/zinc/60/32/85/1125603285.db2.gz MYQGOSITFBPTAR-XHSDSOJGSA-N 2 1 266.473 3.760 20 0 CHADMP C[C@@H]1CC[C@H](C)N1[C@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC000533374972 1125603291 /nfs/dbraw/zinc/60/32/91/1125603291.db2.gz MYQGOSITFBPTAR-XHSDSOJGSA-N 2 1 266.473 3.760 20 0 CHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000533427859 1125605897 /nfs/dbraw/zinc/60/58/97/1125605897.db2.gz OAPNNWKCFSHYIT-SJORKVTESA-N 2 1 272.436 3.555 20 0 CHADMP C[C@H](CC[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1)CC(C)(C)C ZINC001205981740 1125620849 /nfs/dbraw/zinc/62/08/49/1125620849.db2.gz GITCIFWAHKIVGZ-OWCLPIDISA-N 2 1 268.489 3.756 20 0 CHADMP CC[C@H](C)C[C@H](CC)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000247018897 1125651397 /nfs/dbraw/zinc/65/13/97/1125651397.db2.gz MSGIAXJWMOTIMG-DZKIICNBSA-N 2 1 265.445 3.632 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000886119163 1125652663 /nfs/dbraw/zinc/65/26/63/1125652663.db2.gz ZLNKNJWXBSGJAX-IAGOWNOFSA-N 2 1 296.499 3.578 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000886119163 1125652669 /nfs/dbraw/zinc/65/26/69/1125652669.db2.gz ZLNKNJWXBSGJAX-IAGOWNOFSA-N 2 1 296.499 3.578 20 0 CHADMP CCOc1ccccc1[C@H](CC)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247159043 1125655162 /nfs/dbraw/zinc/65/51/62/1125655162.db2.gz XQOZJYLZIARZOW-UXLLHSPISA-N 2 1 290.451 3.609 20 0 CHADMP CCOc1ccccc1[C@H](CC)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247159043 1125655163 /nfs/dbraw/zinc/65/51/63/1125655163.db2.gz XQOZJYLZIARZOW-UXLLHSPISA-N 2 1 290.451 3.609 20 0 CHADMP CCOc1ccccc1[C@H](CC)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247159043 1125655166 /nfs/dbraw/zinc/65/51/66/1125655166.db2.gz XQOZJYLZIARZOW-UXLLHSPISA-N 2 1 290.451 3.609 20 0 CHADMP CC[C@H]1c2ccsc2CCN1CC[C@H]1CCC[N@H+]1C ZINC000247329622 1125656408 /nfs/dbraw/zinc/65/64/08/1125656408.db2.gz USKOMTPNBBBKMI-HIFRSBDPSA-N 2 1 278.465 3.542 20 0 CHADMP CC[C@H]1c2ccsc2CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000247329622 1125656411 /nfs/dbraw/zinc/65/64/11/1125656411.db2.gz USKOMTPNBBBKMI-HIFRSBDPSA-N 2 1 278.465 3.542 20 0 CHADMP CC[C@H]1c2ccsc2CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000247329622 1125656422 /nfs/dbraw/zinc/65/64/22/1125656422.db2.gz USKOMTPNBBBKMI-HIFRSBDPSA-N 2 1 278.465 3.542 20 0 CHADMP CC1=CCC[C@@H](C)[C@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000248426573 1125668500 /nfs/dbraw/zinc/66/85/00/1125668500.db2.gz NENQUTSNSDJOAN-QCLGFWRNSA-N 2 1 276.468 3.584 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(C)c1 ZINC000285649152 1125715464 /nfs/dbraw/zinc/71/54/64/1125715464.db2.gz MDUAOPTVHIDJMO-YJBOKZPZSA-N 2 1 272.436 3.520 20 0 CHADMP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC000162160191 1125739418 /nfs/dbraw/zinc/73/94/18/1125739418.db2.gz RMAHXALYIROUOU-LJQANCHMSA-N 2 1 286.463 3.738 20 0 CHADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000261739359 1125741185 /nfs/dbraw/zinc/74/11/85/1125741185.db2.gz PBNIVVVHSJCDQJ-KRWDZBQOSA-N 2 1 286.444 3.586 20 0 CHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CCCC2)C1 ZINC000237473266 1125758604 /nfs/dbraw/zinc/75/86/04/1125758604.db2.gz LFUDMWAXRLQIFU-MRXNPFEDSA-N 2 1 286.463 3.951 20 0 CHADMP Cc1cc(Cl)cc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000508732272 1125784152 /nfs/dbraw/zinc/78/41/52/1125784152.db2.gz GINZCXKXPKBGKJ-XJKSGUPXSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(Cl)cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000508732272 1125784157 /nfs/dbraw/zinc/78/41/57/1125784157.db2.gz GINZCXKXPKBGKJ-XJKSGUPXSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(Cl)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000508732272 1125784164 /nfs/dbraw/zinc/78/41/64/1125784164.db2.gz GINZCXKXPKBGKJ-XJKSGUPXSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000508732272 1125784171 /nfs/dbraw/zinc/78/41/71/1125784171.db2.gz GINZCXKXPKBGKJ-XJKSGUPXSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(Cl)cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000508732272 1125784176 /nfs/dbraw/zinc/78/41/76/1125784176.db2.gz GINZCXKXPKBGKJ-XJKSGUPXSA-N 2 1 280.843 3.563 20 0 CHADMP CCCCCC[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099655 1129696634 /nfs/dbraw/zinc/69/66/34/1129696634.db2.gz DHJGFZQQKTUYAM-JONQDZQNSA-N 2 1 252.446 3.560 20 0 CHADMP C[C@@H](CC(C)(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903183420 1130125493 /nfs/dbraw/zinc/12/54/93/1130125493.db2.gz ODLULFXMFALAJJ-WYQXTGKHSA-N 2 1 264.457 3.559 20 0 CHADMP CCCc1cccc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)c1 ZINC000481990500 1126738036 /nfs/dbraw/zinc/73/80/36/1126738036.db2.gz LXWVEVPZLWFYJC-LPHOPBHVSA-N 2 1 288.479 3.944 20 0 CHADMP CCCc1cccc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC000481990500 1126738039 /nfs/dbraw/zinc/73/80/39/1126738039.db2.gz LXWVEVPZLWFYJC-LPHOPBHVSA-N 2 1 288.479 3.944 20 0 CHADMP CCCc1cccc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)c1 ZINC000481990500 1126738042 /nfs/dbraw/zinc/73/80/42/1126738042.db2.gz LXWVEVPZLWFYJC-LPHOPBHVSA-N 2 1 288.479 3.944 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000482231979 1126746607 /nfs/dbraw/zinc/74/66/07/1126746607.db2.gz YFICIKOJQDPANH-RCCFBDPRSA-N 2 1 278.484 3.785 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000482231979 1126746612 /nfs/dbraw/zinc/74/66/12/1126746612.db2.gz YFICIKOJQDPANH-RCCFBDPRSA-N 2 1 278.484 3.785 20 0 CHADMP CC(C)=CCC[C@H](C)CC[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000482231979 1126746617 /nfs/dbraw/zinc/74/66/17/1126746617.db2.gz YFICIKOJQDPANH-RCCFBDPRSA-N 2 1 278.484 3.785 20 0 CHADMP CC(C)=CCC[C@H](C)CC[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000482231979 1126746620 /nfs/dbraw/zinc/74/66/20/1126746620.db2.gz YFICIKOJQDPANH-RCCFBDPRSA-N 2 1 278.484 3.785 20 0 CHADMP CC(C)=CCC[C@H](C)CC[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000482244198 1126747578 /nfs/dbraw/zinc/74/75/78/1126747578.db2.gz WTDJJOUDKULNJQ-INIZCTEOSA-N 2 1 264.457 3.611 20 0 CHADMP CC(C)(C)C[C@@H]1CC[N@@H+](Cc2ccnn2-c2ccncc2)C1 ZINC000668228865 1126776703 /nfs/dbraw/zinc/77/67/03/1126776703.db2.gz SNJPRYBUKZVCPH-HNNXBMFYSA-N 2 1 298.434 3.525 20 0 CHADMP CC(C)(C)C[C@@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668228865 1126776707 /nfs/dbraw/zinc/77/67/07/1126776707.db2.gz SNJPRYBUKZVCPH-HNNXBMFYSA-N 2 1 298.434 3.525 20 0 CHADMP CC(C)(C)C[C@@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668228865 1126776711 /nfs/dbraw/zinc/77/67/11/1126776711.db2.gz SNJPRYBUKZVCPH-HNNXBMFYSA-N 2 1 298.434 3.525 20 0 CHADMP C(CC1CCCCC1)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000483293739 1126777715 /nfs/dbraw/zinc/77/77/15/1126777715.db2.gz DPJKVIITNPGADA-MRXNPFEDSA-N 2 1 264.457 3.563 20 0 CHADMP C(CC1CCCCC1)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000483293739 1126777718 /nfs/dbraw/zinc/77/77/18/1126777718.db2.gz DPJKVIITNPGADA-MRXNPFEDSA-N 2 1 264.457 3.563 20 0 CHADMP CC(C)[NH+](CCC[NH2+][C@H](C)c1cccc(F)c1)C(C)C ZINC000483856536 1126803842 /nfs/dbraw/zinc/80/38/42/1126803842.db2.gz SCAAHBLFEQTYDW-OAHLLOKOSA-N 2 1 280.431 3.985 20 0 CHADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000177819168 1126805646 /nfs/dbraw/zinc/80/56/46/1126805646.db2.gz KNRFFKASCPMWMV-LZLYRXPVSA-N 2 1 274.452 3.500 20 0 CHADMP C[C@H](C[NH2+][C@H](C)c1ccc2ccccc2n1)C[NH+]1CCCC1 ZINC000178244366 1126810799 /nfs/dbraw/zinc/81/07/99/1126810799.db2.gz SWTZKCQGJUIDQD-HZPDHXFCSA-N 2 1 297.446 3.617 20 0 CHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cncs1 ZINC000484287768 1126814231 /nfs/dbraw/zinc/81/42/31/1126814231.db2.gz HAAVTSQMRQVCDW-SOUVJXGZSA-N 2 1 295.496 3.694 20 0 CHADMP CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000178697968 1126818136 /nfs/dbraw/zinc/81/81/36/1126818136.db2.gz AMKLVTWVPTXFKK-YOEHRIQHSA-N 2 1 271.408 3.569 20 0 CHADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC[C@H]2c2cccc(Cl)c2)C1 ZINC000904340757 1126846394 /nfs/dbraw/zinc/84/63/94/1126846394.db2.gz CGUUFJFBCYDNFX-MAZHCROVSA-N 2 1 278.827 3.604 20 0 CHADMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(Cl)nc1 ZINC000181371306 1126855030 /nfs/dbraw/zinc/85/50/30/1126855030.db2.gz LEZLIOBYFMSCLG-NSHDSACASA-N 2 1 295.858 3.695 20 0 CHADMP C[C@@H](CCc1cccc(F)c1)[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000183356934 1126886010 /nfs/dbraw/zinc/88/60/10/1126886010.db2.gz UODSPOJBOUMOPP-DAYGRLMNSA-N 2 1 292.442 3.561 20 0 CHADMP C[C@@H](CCc1cccc(F)c1)[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000183356934 1126886014 /nfs/dbraw/zinc/88/60/14/1126886014.db2.gz UODSPOJBOUMOPP-DAYGRLMNSA-N 2 1 292.442 3.561 20 0 CHADMP C[C@@H](CCc1cccc(F)c1)[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000183356934 1126886017 /nfs/dbraw/zinc/88/60/17/1126886017.db2.gz UODSPOJBOUMOPP-DAYGRLMNSA-N 2 1 292.442 3.561 20 0 CHADMP C[C@@H](CCc1cccc(F)c1)[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000183356934 1126886020 /nfs/dbraw/zinc/88/60/20/1126886020.db2.gz UODSPOJBOUMOPP-DAYGRLMNSA-N 2 1 292.442 3.561 20 0 CHADMP CCCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485488812 1126918397 /nfs/dbraw/zinc/91/83/97/1126918397.db2.gz JMNQIKQBTIJFJJ-UHFFFAOYSA-N 2 1 286.463 3.775 20 0 CHADMP CCCC[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000906529297 1126956727 /nfs/dbraw/zinc/95/67/27/1126956727.db2.gz KVJCSZFCIBTTBX-OAHLLOKOSA-N 2 1 260.425 3.602 20 0 CHADMP CC(C)C[NH+]1CCC([NH2+]Cc2cc(Cl)cs2)CC1 ZINC000192998231 1126965579 /nfs/dbraw/zinc/96/55/79/1126965579.db2.gz YPDJEZQVHBLXSO-UHFFFAOYSA-N 2 1 286.872 3.612 20 0 CHADMP CSc1ccccc1[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000194919451 1126977874 /nfs/dbraw/zinc/97/78/74/1126977874.db2.gz AZMZMJYWQDIBBB-AWEZNQCLSA-N 2 1 292.492 3.932 20 0 CHADMP CC[N@@H+](CC[C@@H]1CCCC[NH2+]1)Cc1cccc(Cl)c1 ZINC001236193192 1130884461 /nfs/dbraw/zinc/88/44/61/1130884461.db2.gz JBTCIUIHFKTCDH-INIZCTEOSA-N 2 1 280.843 3.694 20 0 CHADMP Cc1cccnc1[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC000268098215 1127011705 /nfs/dbraw/zinc/01/17/05/1127011705.db2.gz KDRVOOSMYALLOP-IRXDYDNUSA-N 2 1 289.467 3.551 20 0 CHADMP Cc1cccnc1[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)C(C)C ZINC000268098215 1127011708 /nfs/dbraw/zinc/01/17/08/1127011708.db2.gz KDRVOOSMYALLOP-IRXDYDNUSA-N 2 1 289.467 3.551 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CC2(C)C)c1 ZINC000487307425 1127031104 /nfs/dbraw/zinc/03/11/04/1127031104.db2.gz GEXZYYPIRHIIPW-YOEHRIQHSA-N 2 1 274.452 3.663 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000270655505 1127059212 /nfs/dbraw/zinc/05/92/12/1127059212.db2.gz NBYFMFBOVXUXQY-CXAGYDPISA-N 2 1 299.418 3.573 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000270655505 1127059215 /nfs/dbraw/zinc/05/92/15/1127059215.db2.gz NBYFMFBOVXUXQY-CXAGYDPISA-N 2 1 299.418 3.573 20 0 CHADMP C/C(=C\c1ccccc1)C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000271129206 1127069292 /nfs/dbraw/zinc/06/92/92/1127069292.db2.gz ONHRPCXWOVGFND-VMEIHUARSA-N 2 1 281.403 3.693 20 0 CHADMP C/C(=C\c1ccccc1)C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000271129204 1127069761 /nfs/dbraw/zinc/06/97/61/1127069761.db2.gz ONHRPCXWOVGFND-OKACTXMXSA-N 2 1 281.403 3.693 20 0 CHADMP C[C@@H]1C[C@H]1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000488301785 1127071243 /nfs/dbraw/zinc/07/12/43/1127071243.db2.gz UADZUNNKYHUTBH-MJGOQNOKSA-N 2 1 298.474 3.631 20 0 CHADMP CCC[N@@H+](CC[C@@H](C)CC(C)(C)C)C[C@@H]1CC[NH2+]C1 ZINC001236830737 1131016993 /nfs/dbraw/zinc/01/69/93/1131016993.db2.gz OGMWXBSFAZPJLO-HZPDHXFCSA-N 2 1 268.489 3.770 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000271684932 1127097038 /nfs/dbraw/zinc/09/70/38/1127097038.db2.gz CPOQSRPLUVGCOI-NSHDSACASA-N 2 1 295.789 3.725 20 0 CHADMP CC[N@@H+](Cc1occc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000348971378 1127136609 /nfs/dbraw/zinc/13/66/09/1127136609.db2.gz YQTGWVYAQUCLFI-UHFFFAOYSA-N 2 1 286.419 3.672 20 0 CHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc4occc4c3)C2)CC1 ZINC000349184398 1127142365 /nfs/dbraw/zinc/14/23/65/1127142365.db2.gz IJANATIZDIJSPD-GOSISDBHSA-N 2 1 298.430 3.597 20 0 CHADMP C/C(=C/c1ccccc1)C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000588177137 1127180458 /nfs/dbraw/zinc/18/04/58/1127180458.db2.gz NCVNORYJZITLFX-RZPKCTKSSA-N 2 1 286.463 3.944 20 0 CHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccoc2)CC1 ZINC000284307401 1127180620 /nfs/dbraw/zinc/18/06/20/1127180620.db2.gz ZDPUJLODYUZMPW-UHFFFAOYSA-N 2 1 298.430 3.812 20 0 CHADMP CC(C)C(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C(C)C ZINC000572489929 1127201771 /nfs/dbraw/zinc/20/17/71/1127201771.db2.gz JUHCEHRWOYNVDA-APWZRJJASA-N 2 1 292.511 3.863 20 0 CHADMP CC(C)C(C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C(C)C ZINC000572489929 1127201773 /nfs/dbraw/zinc/20/17/73/1127201773.db2.gz JUHCEHRWOYNVDA-APWZRJJASA-N 2 1 292.511 3.863 20 0 CHADMP CC(C)C(C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C(C)C ZINC000572489929 1127201776 /nfs/dbraw/zinc/20/17/76/1127201776.db2.gz JUHCEHRWOYNVDA-APWZRJJASA-N 2 1 292.511 3.863 20 0 CHADMP C(C1CC1)[NH+]1CCC([N@H+]2CC[C@@H](C3CCCCC3)C2)CC1 ZINC001168387549 1127214442 /nfs/dbraw/zinc/21/44/42/1127214442.db2.gz JXEMJDZJNCMKAL-GOSISDBHSA-N 2 1 290.495 3.763 20 0 CHADMP CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1cccc(C)c1 ZINC000353408116 1127267994 /nfs/dbraw/zinc/26/79/94/1127267994.db2.gz YILNDAPWHSJZIB-YJBOKZPZSA-N 2 1 285.435 3.877 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCC(C)(C)C1 ZINC000573485788 1127316849 /nfs/dbraw/zinc/31/68/49/1127316849.db2.gz XHAMMTZDHWHSIG-HOTGVXAUSA-N 2 1 266.473 3.809 20 0 CHADMP CC(C)c1cccc2c1CC[N@H+](CC[C@H]1CCC[NH+]1C)C2 ZINC000355386956 1127337521 /nfs/dbraw/zinc/33/75/21/1127337521.db2.gz WYIXNTCCBJXRAB-QGZVFWFLSA-N 2 1 286.463 3.652 20 0 CHADMP CC(C)c1cccc2c1CC[N@@H+](CC[C@H]1CCC[NH+]1C)C2 ZINC000355386956 1127337524 /nfs/dbraw/zinc/33/75/24/1127337524.db2.gz WYIXNTCCBJXRAB-QGZVFWFLSA-N 2 1 286.463 3.652 20 0 CHADMP CC(C)c1cccc2c1CC[NH+](CC[C@H]1CCC[N@@H+]1C)C2 ZINC000355386956 1127337529 /nfs/dbraw/zinc/33/75/29/1127337529.db2.gz WYIXNTCCBJXRAB-QGZVFWFLSA-N 2 1 286.463 3.652 20 0 CHADMP CC(C)c1cccc2c1CC[NH+](CC[C@H]1CCC[N@H+]1C)C2 ZINC000355386956 1127337533 /nfs/dbraw/zinc/33/75/33/1127337533.db2.gz WYIXNTCCBJXRAB-QGZVFWFLSA-N 2 1 286.463 3.652 20 0 CHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@H]1CCC(C)(C)C1 ZINC000355581840 1127350833 /nfs/dbraw/zinc/35/08/33/1127350833.db2.gz IWGJYCFMYLZFHZ-KRWDZBQOSA-N 2 1 298.434 3.586 20 0 CHADMP c1cn(-c2csc(C[N@H+](CC3CC3)C3CCC3)c2)cn1 ZINC000355735759 1127361119 /nfs/dbraw/zinc/36/11/19/1127361119.db2.gz SYXTUMHVQQHWQF-UHFFFAOYSA-N 2 1 287.432 3.698 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000289360872 1127382666 /nfs/dbraw/zinc/38/26/66/1127382666.db2.gz ZERYBLNIMMVSQB-KBXCAEBGSA-N 2 1 283.419 3.810 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2(C)CC2)cc1 ZINC000358185983 1127407032 /nfs/dbraw/zinc/40/70/32/1127407032.db2.gz IAAYKJJWLPCLPI-CYBMUJFWSA-N 2 1 269.392 3.631 20 0 CHADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359227435 1127454630 /nfs/dbraw/zinc/45/46/30/1127454630.db2.gz WHXNFFHVQNXBRF-SJLPKXTDSA-N 2 1 286.463 3.563 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000359286212 1127456547 /nfs/dbraw/zinc/45/65/47/1127456547.db2.gz NEWFANIIUHCWEB-KRWDZBQOSA-N 2 1 290.451 3.530 20 0 CHADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000168611407 1127457573 /nfs/dbraw/zinc/45/75/73/1127457573.db2.gz NWUFYYPBBMAAFM-BEFAXECRSA-N 2 1 280.415 3.523 20 0 CHADMP CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1cc(F)ccc1F ZINC000360426201 1127498687 /nfs/dbraw/zinc/49/86/87/1127498687.db2.gz FOZIBDFLSDSUEH-DYVFJYSZSA-N 2 1 296.405 3.737 20 0 CHADMP CC(F)(F)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000293571185 1127505987 /nfs/dbraw/zinc/50/59/87/1127505987.db2.gz BHOJFNGAHKEZGN-HZPDHXFCSA-N 2 1 294.389 3.515 20 0 CHADMP CC[C@@H]([NH2+][C@H](C)CC[NH+](C)C)c1cc(Cl)ccc1OC ZINC000360858990 1127515761 /nfs/dbraw/zinc/51/57/61/1127515761.db2.gz MNQJOUWNOCSTFO-IUODEOHRSA-N 2 1 298.858 3.730 20 0 CHADMP CC(C)C1([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000293748799 1127517327 /nfs/dbraw/zinc/51/73/27/1127517327.db2.gz QCHWLXKFMOHLEO-AEFFLSMTSA-N 2 1 286.463 3.675 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C(C)(F)F)cc2)[C@@H](C)C1 ZINC000293777078 1127519955 /nfs/dbraw/zinc/51/99/55/1127519955.db2.gz SPGPOUQAQWBKAV-XJKSGUPXSA-N 2 1 296.405 3.618 20 0 CHADMP C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001308869284 1127529676 /nfs/dbraw/zinc/52/96/76/1127529676.db2.gz NTGXIILDSJYGJT-LSDHHAIUSA-N 2 1 266.473 3.808 20 0 CHADMP C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001308869284 1127529679 /nfs/dbraw/zinc/52/96/79/1127529679.db2.gz NTGXIILDSJYGJT-LSDHHAIUSA-N 2 1 266.473 3.808 20 0 CHADMP CCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OC)cc1 ZINC000361766033 1127587432 /nfs/dbraw/zinc/58/74/32/1127587432.db2.gz RAHAJJDVXQQMNO-ZVZYQTTQSA-N 2 1 290.451 3.609 20 0 CHADMP CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OC)cc1 ZINC000361766033 1127587435 /nfs/dbraw/zinc/58/74/35/1127587435.db2.gz RAHAJJDVXQQMNO-ZVZYQTTQSA-N 2 1 290.451 3.609 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OC)cc1 ZINC000361766032 1127587804 /nfs/dbraw/zinc/58/78/04/1127587804.db2.gz RAHAJJDVXQQMNO-LESCRADOSA-N 2 1 290.451 3.609 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OC)cc1 ZINC000361766032 1127587807 /nfs/dbraw/zinc/58/78/07/1127587807.db2.gz RAHAJJDVXQQMNO-LESCRADOSA-N 2 1 290.451 3.609 20 0 CHADMP CCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OC)cc1 ZINC000361766030 1127588024 /nfs/dbraw/zinc/58/80/24/1127588024.db2.gz RAHAJJDVXQQMNO-HFTRVMKXSA-N 2 1 290.451 3.609 20 0 CHADMP CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OC)cc1 ZINC000361766030 1127588028 /nfs/dbraw/zinc/58/80/28/1127588028.db2.gz RAHAJJDVXQQMNO-HFTRVMKXSA-N 2 1 290.451 3.609 20 0 CHADMP CC(C[NH+]1C[C@H](C)C[C@H](C)C1)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000603823328 1127673783 /nfs/dbraw/zinc/67/37/83/1127673783.db2.gz PPUKVRXULYXIOR-WNKDZCFJSA-N 2 1 280.500 3.578 20 0 CHADMP CCC(C)(C)[NH+](C)C/C=C/C[N@H+](C)C(C)(C)CC ZINC000603938152 1127683973 /nfs/dbraw/zinc/68/39/73/1127683973.db2.gz FQAWHRZXHSNFHA-VAWYXSNFSA-N 2 1 254.462 3.783 20 0 CHADMP CC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccsc1 ZINC000297960572 1127712556 /nfs/dbraw/zinc/71/25/56/1127712556.db2.gz ZGHPXQRYDBLWIK-SWLSCSKDSA-N 2 1 277.437 3.630 20 0 CHADMP C(=C/C[N@H+]1CCCC12CCC2)\C[NH+]1CCCC12CCC2 ZINC000373094773 1127822442 /nfs/dbraw/zinc/82/24/42/1127822442.db2.gz KWWFIXOMVLPAAF-OWOJBTEDSA-N 2 1 274.452 3.580 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)s1 ZINC000373523681 1127848399 /nfs/dbraw/zinc/84/83/99/1127848399.db2.gz WBKJMYPWQOQHEB-WLYUNCDWSA-N 2 1 278.465 3.724 20 0 CHADMP CC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000373523640 1127848556 /nfs/dbraw/zinc/84/85/56/1127848556.db2.gz PWTKDMYWFGTFAO-DAWZGUTISA-N 2 1 290.426 3.883 20 0 CHADMP CC[C@@H]1C[C@H](C)C[NH+]1C[C@@H](C)C[N@@H+]1C[C@H](C)C[C@@H]1CC ZINC000608758187 1127888336 /nfs/dbraw/zinc/88/83/36/1127888336.db2.gz OWUIGQGAHACDSX-NXBPGRIQSA-N 2 1 280.500 3.863 20 0 CHADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H](C)C[NH+]1C[C@H](C)C[C@@H]1CC ZINC000608758187 1127888343 /nfs/dbraw/zinc/88/83/43/1127888343.db2.gz OWUIGQGAHACDSX-NXBPGRIQSA-N 2 1 280.500 3.863 20 0 CHADMP CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@@H](C)C[NH+]1C[C@H](C)C[C@@H]1CC ZINC000608758187 1127888349 /nfs/dbraw/zinc/88/83/49/1127888349.db2.gz OWUIGQGAHACDSX-NXBPGRIQSA-N 2 1 280.500 3.863 20 0 CHADMP C[N@H+](CCc1cccc2ccccc21)CC[C@H]1CCC[NH+]1C ZINC000535472852 1127916686 /nfs/dbraw/zinc/91/66/86/1127916686.db2.gz UUGVKRMLISZRQT-LJQANCHMSA-N 2 1 296.458 3.798 20 0 CHADMP C[NH+](CCc1cccc2ccccc21)CC[C@H]1CCC[N@@H+]1C ZINC000535472852 1127916687 /nfs/dbraw/zinc/91/66/87/1127916687.db2.gz UUGVKRMLISZRQT-LJQANCHMSA-N 2 1 296.458 3.798 20 0 CHADMP C[NH+](CCc1cccc2ccccc21)CC[C@H]1CCC[N@H+]1C ZINC000535472852 1127916689 /nfs/dbraw/zinc/91/66/89/1127916689.db2.gz UUGVKRMLISZRQT-LJQANCHMSA-N 2 1 296.458 3.798 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+]C2CCC(C)(c3ccccc3)CC2)CC1 ZINC000539506611 1127927383 /nfs/dbraw/zinc/92/73/83/1127927383.db2.gz DIMDDNPVGWYFKF-UHFFFAOYSA-N 2 1 298.474 3.738 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(-c3ccccc3)c2)CC1 ZINC000539589093 1127931769 /nfs/dbraw/zinc/93/17/69/1127931769.db2.gz YHWFNEZCJNZRRK-UHFFFAOYSA-N 2 1 292.426 3.705 20 0 CHADMP CCC(C)(C)CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000466925399 1127949929 /nfs/dbraw/zinc/94/99/29/1127949929.db2.gz GDAGHBGLPGFWSY-CVEARBPZSA-N 2 1 266.473 3.760 20 0 CHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C3CCCC3)cc2)CC[N@H+]1C ZINC000462780436 1127954649 /nfs/dbraw/zinc/95/46/49/1127954649.db2.gz WJYPSCOHQAUVGD-HNAYVOBHSA-N 2 1 286.463 3.917 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C2CCCC2)[C@H](C)C1 ZINC000540143948 1127962761 /nfs/dbraw/zinc/96/27/61/1127962761.db2.gz KCGIASRHIILFEU-GDBMZVCRSA-N 2 1 266.473 3.523 20 0 CHADMP CC[C@H]1CCC[C@@H](C[N@H+](C)C2CC[NH+](CC)CC2)C1 ZINC000544352364 1127969577 /nfs/dbraw/zinc/96/95/77/1127969577.db2.gz COMDPBFLMLBURM-JKSUJKDBSA-N 2 1 266.473 3.619 20 0 CHADMP CC[C@H]1CCC[C@@H](C[N@@H+](C)C2CC[NH+](CC)CC2)C1 ZINC000544352364 1127969581 /nfs/dbraw/zinc/96/95/81/1127969581.db2.gz COMDPBFLMLBURM-JKSUJKDBSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@H](CC[NH2+][C@@H](C)c1cccc(F)c1)[NH+]1CCCCC1 ZINC000544374408 1127970668 /nfs/dbraw/zinc/97/06/68/1127970668.db2.gz MXJNCIMWFABEQU-CABCVRRESA-N 2 1 278.415 3.741 20 0 CHADMP CCC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000540606396 1127985907 /nfs/dbraw/zinc/98/59/07/1127985907.db2.gz GZIWGMYFBBOGPA-KBAYOESNSA-N 2 1 274.452 3.643 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2(C3CC3)CC2)cc1 ZINC000540752949 1127993808 /nfs/dbraw/zinc/99/38/08/1127993808.db2.gz KVIRDZLHAZJZPN-CYBMUJFWSA-N 2 1 281.403 3.774 20 0 CHADMP CCCC[C@H](CCC)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300409658 1127999999 /nfs/dbraw/zinc/99/99/99/1127999999.db2.gz BHKFMHSGXPIIIX-JYJNAYRXSA-N 2 1 252.446 3.562 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cc2C)C[C@H]1C ZINC000468390870 1128005697 /nfs/dbraw/zinc/00/56/97/1128005697.db2.gz BUIQXNYWWONKFX-PBHICJAKSA-N 2 1 294.870 3.953 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2C)C[C@H]1C ZINC000468390870 1128005701 /nfs/dbraw/zinc/00/57/01/1128005701.db2.gz BUIQXNYWWONKFX-PBHICJAKSA-N 2 1 294.870 3.953 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2C)C[C@H]1C ZINC000468390870 1128005705 /nfs/dbraw/zinc/00/57/05/1128005705.db2.gz BUIQXNYWWONKFX-PBHICJAKSA-N 2 1 294.870 3.953 20 0 CHADMP C[C@@H](CC[NH2+][C@@H](C)c1cc(F)cc(F)c1)[NH+]1CCCCC1 ZINC000541559350 1128028653 /nfs/dbraw/zinc/02/86/53/1128028653.db2.gz NFVJOPQFMBXCOX-KBPBESRZSA-N 2 1 296.405 3.880 20 0 CHADMP CC(C)c1ccc(CC[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000468950724 1128029409 /nfs/dbraw/zinc/02/94/09/1128029409.db2.gz KAKFWOSEBWMMGD-SFHVURJKSA-N 2 1 288.479 3.626 20 0 CHADMP CC(C)c1ccc(CC[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000468950724 1128029413 /nfs/dbraw/zinc/02/94/13/1128029413.db2.gz KAKFWOSEBWMMGD-SFHVURJKSA-N 2 1 288.479 3.626 20 0 CHADMP CC(C)c1ccc(CC[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000468950724 1128029417 /nfs/dbraw/zinc/02/94/17/1128029417.db2.gz KAKFWOSEBWMMGD-SFHVURJKSA-N 2 1 288.479 3.626 20 0 CHADMP Cc1ccccc1-c1cccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000469861763 1128056245 /nfs/dbraw/zinc/05/62/45/1128056245.db2.gz XZXLGYOPVOTGBF-AEFFLSMTSA-N 2 1 294.442 3.831 20 0 CHADMP Cc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)c2)cc1 ZINC000469848142 1128056253 /nfs/dbraw/zinc/05/62/53/1128056253.db2.gz GJYRPRPNTUYXEG-OXQOHEQNSA-N 2 1 294.442 3.831 20 0 CHADMP C[N@H+](Cc1ccccc1-c1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000469874482 1128057305 /nfs/dbraw/zinc/05/73/05/1128057305.db2.gz IEQCFFDEBSSECW-QGZVFWFLSA-N 2 1 294.442 3.785 20 0 CHADMP CC(C)CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000303511189 1128070493 /nfs/dbraw/zinc/07/04/93/1128070493.db2.gz BLMMMZXKTCHWJA-SJORKVTESA-N 2 1 266.473 3.619 20 0 CHADMP CC(C)CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000303511189 1128070497 /nfs/dbraw/zinc/07/04/97/1128070497.db2.gz BLMMMZXKTCHWJA-SJORKVTESA-N 2 1 266.473 3.619 20 0 CHADMP CC(C)CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000303511189 1128070501 /nfs/dbraw/zinc/07/05/01/1128070501.db2.gz BLMMMZXKTCHWJA-SJORKVTESA-N 2 1 266.473 3.619 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000173325024 1128086938 /nfs/dbraw/zinc/08/69/38/1128086938.db2.gz REFQATBVWKJFHR-SJORKVTESA-N 2 1 274.452 3.992 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000174211644 1128098657 /nfs/dbraw/zinc/09/86/57/1128098657.db2.gz NMNAUPQUMMLZGH-QFBILLFUSA-N 2 1 286.463 3.728 20 0 CHADMP Cc1oc2ccccc2c1[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000924648642 1128109094 /nfs/dbraw/zinc/10/90/94/1128109094.db2.gz NETKDOZGNKRSBZ-DZGCQCFKSA-N 2 1 298.430 3.876 20 0 CHADMP CCC[C@H](CC)[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001257260682 1128112460 /nfs/dbraw/zinc/11/24/60/1128112460.db2.gz RNWPTRJSSLQPPE-HNNXBMFYSA-N 2 1 275.440 3.508 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc3ccccc3[nH]2)C1 ZINC000924750480 1128112622 /nfs/dbraw/zinc/11/26/22/1128112622.db2.gz FGMRLAGXHBHUOU-LSDHHAIUSA-N 2 1 285.435 3.550 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@@H]1C(C)(C)C ZINC000925132264 1128123107 /nfs/dbraw/zinc/12/31/07/1128123107.db2.gz HZQPDCIJTBLUQO-JKSUJKDBSA-N 2 1 277.456 3.776 20 0 CHADMP CCCC[C@H](CCC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000925216244 1128125674 /nfs/dbraw/zinc/12/56/74/1128125674.db2.gz IQJBZSMVXFNGIP-OOKSDGMUSA-N 2 1 296.499 3.577 20 0 CHADMP CCC(F)(F)C(C)(C)C[NH2+][C@@H](c1ccccc1)[C@H](C)N ZINC000925720840 1128138309 /nfs/dbraw/zinc/13/83/09/1128138309.db2.gz VBPJSQBTQGWYHG-GXTWGEPZSA-N 2 1 284.394 3.736 20 0 CHADMP c1ccc([C@@H]2C[C@H]([NH2+]CC[C@@H]3CC[C@H]4C[C@H]43)CC[NH2+]2)cc1 ZINC000925804515 1128142877 /nfs/dbraw/zinc/14/28/77/1128142877.db2.gz JCFXSJFZJWRZFQ-UJCHZGTJSA-N 2 1 284.447 3.506 20 0 CHADMP C[C@H](C[NH2+][C@H](C)c1csc(C(F)(F)F)c1)C[NH+](C)C ZINC000926476257 1128174318 /nfs/dbraw/zinc/17/43/18/1128174318.db2.gz ZFDRLWQBJMIAMT-NXEZZACHSA-N 2 1 294.386 3.615 20 0 CHADMP CCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000222929363 1128179738 /nfs/dbraw/zinc/17/97/38/1128179738.db2.gz IEQWRASUGHPXSM-ZOBUZTSGSA-N 2 1 290.451 3.609 20 0 CHADMP CCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000222929363 1128179740 /nfs/dbraw/zinc/17/97/40/1128179740.db2.gz IEQWRASUGHPXSM-ZOBUZTSGSA-N 2 1 290.451 3.609 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)[C@H]1C ZINC000495039671 1128225207 /nfs/dbraw/zinc/22/52/07/1128225207.db2.gz CXEXCFBILGSAGJ-AESZEHBQSA-N 2 1 292.492 3.594 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[C@H]1C ZINC000495039671 1128225208 /nfs/dbraw/zinc/22/52/08/1128225208.db2.gz CXEXCFBILGSAGJ-AESZEHBQSA-N 2 1 292.492 3.594 20 0 CHADMP CCC[C@@H](C)[N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257313089 1128231231 /nfs/dbraw/zinc/23/12/31/1128231231.db2.gz KMINHJZPVYLPOD-DJIMGWMZSA-N 2 1 266.473 3.937 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235174181 1128312173 /nfs/dbraw/zinc/31/21/73/1128312173.db2.gz SJCMMJHHGIEZIN-ZWKOTPCHSA-N 2 1 278.484 3.977 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235174159 1128312614 /nfs/dbraw/zinc/31/26/14/1128312614.db2.gz SJCMMJHHGIEZIN-MSOLQXFVSA-N 2 1 278.484 3.977 20 0 CHADMP CCCC[N@H+](Cc1ccno1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033001 1128345177 /nfs/dbraw/zinc/34/51/77/1128345177.db2.gz OPPCWWFKBFWQLJ-UHFFFAOYSA-N 2 1 293.455 3.586 20 0 CHADMP CCCC[N@@H+](Cc1ccno1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033001 1128345180 /nfs/dbraw/zinc/34/51/80/1128345180.db2.gz OPPCWWFKBFWQLJ-UHFFFAOYSA-N 2 1 293.455 3.586 20 0 CHADMP CC(C)CCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000393969698 1128351097 /nfs/dbraw/zinc/35/10/97/1128351097.db2.gz OYSVGQUGBSUKAO-PKOBYXMFSA-N 2 1 288.479 3.923 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000562019331 1128371690 /nfs/dbraw/zinc/37/16/90/1128371690.db2.gz JYENNXNPVXIBGT-UXHICEINSA-N 2 1 298.474 3.738 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC1(C)C ZINC000397695084 1128379482 /nfs/dbraw/zinc/37/94/82/1128379482.db2.gz YROUGUZOFDYWRC-CGTJXYLNSA-N 2 1 286.463 3.533 20 0 CHADMP CCC1([NH+]2CCC2)CC[NH+](Cc2ccccc2CF)CC1 ZINC000931752137 1128380200 /nfs/dbraw/zinc/38/02/00/1128380200.db2.gz IKZNSBKEDGCQJL-UHFFFAOYSA-N 2 1 290.426 3.606 20 0 CHADMP C[N@@H+](CCC[NH2+]C[C@H]1CC=CCC1)C1CCCCC1 ZINC000037860299 1128435971 /nfs/dbraw/zinc/43/59/71/1128435971.db2.gz RUADKTBUZXISNG-INIZCTEOSA-N 2 1 264.457 3.587 20 0 CHADMP CC(C)c1ccc(CC[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000562958370 1128442633 /nfs/dbraw/zinc/44/26/33/1128442633.db2.gz GXMGRTAREXKGRU-AWEZNQCLSA-N 2 1 283.419 3.511 20 0 CHADMP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCC[NH+]1CCCCC1 ZINC000125222466 1128448124 /nfs/dbraw/zinc/44/81/24/1128448124.db2.gz RKTDNHKLLDEOKO-ZACQAIPSSA-N 2 1 264.457 3.515 20 0 CHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H](C)C2(C)CC2)CC1 ZINC000125167500 1128448299 /nfs/dbraw/zinc/44/82/99/1128448299.db2.gz QRZQRSPXLKXPHY-HZPDHXFCSA-N 2 1 286.463 3.990 20 0 CHADMP Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000125905902 1128456580 /nfs/dbraw/zinc/45/65/80/1128456580.db2.gz HXEYEQFSRPCCOP-DLBZAZTESA-N 2 1 274.452 3.766 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000125976949 1128459475 /nfs/dbraw/zinc/45/94/75/1128459475.db2.gz UGKFDVBTXZFJEY-IRXDYDNUSA-N 2 1 274.452 3.766 20 0 CHADMP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CCC2)C3)cc1 ZINC001202776214 1128463890 /nfs/dbraw/zinc/46/38/90/1128463890.db2.gz ONMIZKVOSNMXQY-HXUWFJFHSA-N 2 1 298.474 3.775 20 0 CHADMP c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CCC2)C3)cc1 ZINC001202776214 1128463894 /nfs/dbraw/zinc/46/38/94/1128463894.db2.gz ONMIZKVOSNMXQY-HXUWFJFHSA-N 2 1 298.474 3.775 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CCC2)C3)cc1 ZINC001202776214 1128463895 /nfs/dbraw/zinc/46/38/95/1128463895.db2.gz ONMIZKVOSNMXQY-HXUWFJFHSA-N 2 1 298.474 3.775 20 0 CHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000563770433 1128478156 /nfs/dbraw/zinc/47/81/56/1128478156.db2.gz PPOCPMJTSQOMDA-IAGOWNOFSA-N 2 1 292.442 3.625 20 0 CHADMP CCC1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000564231696 1128499439 /nfs/dbraw/zinc/49/94/39/1128499439.db2.gz FTYBOFILGDTZSU-ZJZKXORJSA-N 2 1 286.463 3.818 20 0 CHADMP CCC1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000564231696 1128499440 /nfs/dbraw/zinc/49/94/40/1128499440.db2.gz FTYBOFILGDTZSU-ZJZKXORJSA-N 2 1 286.463 3.818 20 0 CHADMP CCC(C)(C)C1CCC([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000128559882 1128503400 /nfs/dbraw/zinc/50/34/00/1128503400.db2.gz WOBLRRKFTNIWJO-ZGRYLRDCSA-N 2 1 280.500 3.911 20 0 CHADMP CCC(C)(C)C1CCC([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000128559882 1128503404 /nfs/dbraw/zinc/50/34/04/1128503404.db2.gz WOBLRRKFTNIWJO-ZGRYLRDCSA-N 2 1 280.500 3.911 20 0 CHADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000564615486 1128512376 /nfs/dbraw/zinc/51/23/76/1128512376.db2.gz KAMKAKQQMHLMQR-KBPBESRZSA-N 2 1 298.421 3.604 20 0 CHADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000564615486 1128512379 /nfs/dbraw/zinc/51/23/79/1128512379.db2.gz KAMKAKQQMHLMQR-KBPBESRZSA-N 2 1 298.421 3.604 20 0 CHADMP CC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000564959426 1128517535 /nfs/dbraw/zinc/51/75/35/1128517535.db2.gz XHHLRDIWQMRFBA-GOSISDBHSA-N 2 1 298.474 3.963 20 0 CHADMP CC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000564959426 1128517538 /nfs/dbraw/zinc/51/75/38/1128517538.db2.gz XHHLRDIWQMRFBA-GOSISDBHSA-N 2 1 298.474 3.963 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCCC23CC3)CC1 ZINC000565241982 1128522135 /nfs/dbraw/zinc/52/21/35/1128522135.db2.gz BADVPJQKAKMSRR-IBGZPJMESA-N 2 1 298.474 3.882 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1CC(C)C ZINC000129257306 1128534984 /nfs/dbraw/zinc/53/49/84/1128534984.db2.gz XIZJJRNMUOPPLV-QGZVFWFLSA-N 2 1 277.456 3.872 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1CC(C)C ZINC000129257306 1128534985 /nfs/dbraw/zinc/53/49/85/1128534985.db2.gz XIZJJRNMUOPPLV-QGZVFWFLSA-N 2 1 277.456 3.872 20 0 CHADMP CC(C)c1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000129436162 1128541200 /nfs/dbraw/zinc/54/12/00/1128541200.db2.gz IFNYFGRWWCXWPU-MPGHIAIKSA-N 2 1 274.452 3.943 20 0 CHADMP CC(C)c1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000129436162 1128541202 /nfs/dbraw/zinc/54/12/02/1128541202.db2.gz IFNYFGRWWCXWPU-MPGHIAIKSA-N 2 1 274.452 3.943 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000556076218 1128544879 /nfs/dbraw/zinc/54/48/79/1128544879.db2.gz LIYRRDRCNBCCML-IRXDYDNUSA-N 2 1 278.484 3.809 20 0 CHADMP CC1(C)CC([NH2+]C2CC[NH+](C3CC3)CC2)CC(C)(C)C1 ZINC000129684669 1128550070 /nfs/dbraw/zinc/55/00/70/1128550070.db2.gz BLXJSUKKCXIZMS-UHFFFAOYSA-N 2 1 278.484 3.808 20 0 CHADMP CC(C)=CCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000567281242 1128561300 /nfs/dbraw/zinc/56/13/00/1128561300.db2.gz OELNHRXQPZJJKP-ROUUACIJSA-N 2 1 272.436 3.768 20 0 CHADMP CC(C)=CCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000567281242 1128561305 /nfs/dbraw/zinc/56/13/05/1128561305.db2.gz OELNHRXQPZJJKP-ROUUACIJSA-N 2 1 272.436 3.768 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2)C2CC2)[C@@H]2CCC[C@@H]21 ZINC000556208087 1128562665 /nfs/dbraw/zinc/56/26/65/1128562665.db2.gz DFBADMHMMSWZHM-YRPNKDGESA-N 2 1 298.474 3.643 20 0 CHADMP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000130160989 1128569133 /nfs/dbraw/zinc/56/91/33/1128569133.db2.gz GFFPHVZCJPIYDD-YESZJQIVSA-N 2 1 272.436 3.581 20 0 CHADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000567639078 1128569825 /nfs/dbraw/zinc/56/98/25/1128569825.db2.gz QWANLCIFQGYSNN-OAHLLOKOSA-N 2 1 296.842 3.531 20 0 CHADMP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000567875213 1128573870 /nfs/dbraw/zinc/57/38/70/1128573870.db2.gz WYFYDWQDNRHSNL-TVFCKZIOSA-N 2 1 272.436 3.600 20 0 CHADMP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000567875213 1128573872 /nfs/dbraw/zinc/57/38/72/1128573872.db2.gz WYFYDWQDNRHSNL-TVFCKZIOSA-N 2 1 272.436 3.600 20 0 CHADMP Cc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c(C)c1Cl ZINC001236213565 1128615564 /nfs/dbraw/zinc/61/55/64/1128615564.db2.gz CAKJELRXHQUAGO-HUUCEWRRSA-N 2 1 280.843 3.659 20 0 CHADMP Cc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c(C)c1Cl ZINC001236213565 1128615566 /nfs/dbraw/zinc/61/55/66/1128615566.db2.gz CAKJELRXHQUAGO-HUUCEWRRSA-N 2 1 280.843 3.659 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000130895420 1128601440 /nfs/dbraw/zinc/60/14/40/1128601440.db2.gz UYRUEFJIKDGVAU-NZSAHSFTSA-N 2 1 286.463 3.644 20 0 CHADMP CC(C)[NH+](CCC[NH2+][C@@H](C)c1ccnc(Cl)c1)C(C)C ZINC000155831205 1128616221 /nfs/dbraw/zinc/61/62/21/1128616221.db2.gz MEURRXPKWCZVBQ-AWEZNQCLSA-N 2 1 297.874 3.895 20 0 CHADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC1CCC(c2ccccc2)CC1 ZINC000569706870 1128607507 /nfs/dbraw/zinc/60/75/07/1128607507.db2.gz UPIRSMBHBUIMQS-JVDULTGUSA-N 2 1 286.463 3.772 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CC(C(C)C)C(C)C)C[C@H]1C ZINC000556602127 1128608831 /nfs/dbraw/zinc/60/88/31/1128608831.db2.gz QNBJAANMNJHTCK-CVEARBPZSA-N 2 1 268.489 3.719 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CC(C(C)C)C(C)C)C[C@H]1C ZINC000556602127 1128608832 /nfs/dbraw/zinc/60/88/32/1128608832.db2.gz QNBJAANMNJHTCK-CVEARBPZSA-N 2 1 268.489 3.719 20 0 CHADMP CC(C)c1cccc2c1CC[N@H+](CCCc1c[nH+]cn1C)C2 ZINC000570407629 1128623608 /nfs/dbraw/zinc/62/36/08/1128623608.db2.gz HJAMHVGFAKLWFL-UHFFFAOYSA-N 2 1 297.446 3.534 20 0 CHADMP CC(C)c1cccc2c1CC[N@@H+](CCCc1c[nH+]cn1C)C2 ZINC000570407629 1128623610 /nfs/dbraw/zinc/62/36/10/1128623610.db2.gz HJAMHVGFAKLWFL-UHFFFAOYSA-N 2 1 297.446 3.534 20 0 CHADMP CC1=CC[C@H]([NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000556833708 1128628461 /nfs/dbraw/zinc/62/84/61/1128628461.db2.gz JRNOJEPRZFYQFA-ZACQAIPSSA-N 2 1 276.468 3.728 20 0 CHADMP C[NH+](Cc1cccc(C[N@H+](C)C2CCC2)c1)C1CCC1 ZINC000072721788 1128629938 /nfs/dbraw/zinc/62/99/38/1128629938.db2.gz OOECYBYJRZCREB-UHFFFAOYSA-N 2 1 272.436 3.655 20 0 CHADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)CCn1ccnc1C ZINC000499055931 1128635717 /nfs/dbraw/zinc/63/57/17/1128635717.db2.gz YSTCYCGFBPDBEO-IBGZPJMESA-N 2 1 299.462 3.843 20 0 CHADMP CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)CCn1cc[nH+]c1C ZINC000499055931 1128635719 /nfs/dbraw/zinc/63/57/19/1128635719.db2.gz YSTCYCGFBPDBEO-IBGZPJMESA-N 2 1 299.462 3.843 20 0 CHADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)CCn1cc[nH+]c1C ZINC000499055931 1128635720 /nfs/dbraw/zinc/63/57/20/1128635720.db2.gz YSTCYCGFBPDBEO-IBGZPJMESA-N 2 1 299.462 3.843 20 0 CHADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)CCn1ccnc1C ZINC000499055933 1128636396 /nfs/dbraw/zinc/63/63/96/1128636396.db2.gz YSTCYCGFBPDBEO-LJQANCHMSA-N 2 1 299.462 3.843 20 0 CHADMP CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)CCn1cc[nH+]c1C ZINC000499055933 1128636398 /nfs/dbraw/zinc/63/63/98/1128636398.db2.gz YSTCYCGFBPDBEO-LJQANCHMSA-N 2 1 299.462 3.843 20 0 CHADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)CCn1cc[nH+]c1C ZINC000499055933 1128636400 /nfs/dbraw/zinc/63/64/00/1128636400.db2.gz YSTCYCGFBPDBEO-LJQANCHMSA-N 2 1 299.462 3.843 20 0 CHADMP CC(C)[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000556866151 1128631665 /nfs/dbraw/zinc/63/16/65/1128631665.db2.gz XFMSGHGQVLHMNM-RBUKOAKNSA-N 2 1 286.463 3.675 20 0 CHADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000556872520 1128632749 /nfs/dbraw/zinc/63/27/49/1128632749.db2.gz YMVPIXLGAHMKKR-KGLIPLIRSA-N 2 1 298.421 3.606 20 0 CHADMP COc1ccc([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1Cl ZINC000132123004 1128643963 /nfs/dbraw/zinc/64/39/63/1128643963.db2.gz XVQNOZUVZGSXFV-GFCCVEGCSA-N 2 1 298.858 3.587 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C/C=C/Cl)CC1 ZINC000158987680 1128672721 /nfs/dbraw/zinc/67/27/21/1128672721.db2.gz IMSCQCVCFASHPX-BCFOUKGLSA-N 2 1 284.875 3.715 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CC(C)=C[C@H](C)C2)C1 ZINC000577945713 1128700031 /nfs/dbraw/zinc/70/00/31/1128700031.db2.gz VIUOUIDQQSPSOW-RYQLBKOJSA-N 2 1 278.484 3.643 20 0 CHADMP CC(C)C[C@@H](C)C[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001258052721 1128703025 /nfs/dbraw/zinc/70/30/25/1128703025.db2.gz RSIZCMVTOYCAKK-OVYGPGRDSA-N 2 1 266.473 3.662 20 0 CHADMP CC[NH+]1CCC([N@H+](C)CCc2ccc3ccccc3c2)CC1 ZINC000077249801 1128709347 /nfs/dbraw/zinc/70/93/47/1128709347.db2.gz NIRYANPSJUBLPP-UHFFFAOYSA-N 2 1 296.458 3.798 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)CCc2ccc3ccccc3c2)CC1 ZINC000077249801 1128709350 /nfs/dbraw/zinc/70/93/50/1128709350.db2.gz NIRYANPSJUBLPP-UHFFFAOYSA-N 2 1 296.458 3.798 20 0 CHADMP CC[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1cccc(Cl)c1 ZINC000578202414 1128711128 /nfs/dbraw/zinc/71/11/28/1128711128.db2.gz KUXBCURVMPLFNF-MRXNPFEDSA-N 2 1 291.826 3.747 20 0 CHADMP CSc1ccc(CN(C)CC[C@@H]2CCCC[N@H+]2C)s1 ZINC000578565925 1128722352 /nfs/dbraw/zinc/72/23/52/1128722352.db2.gz SZHDYZJYQCFVMW-ZDUSSCGKSA-N 2 1 298.521 3.776 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CCC2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000090233848 1117758805 /nfs/dbraw/zinc/75/88/05/1117758805.db2.gz UCZHKNGQEXIEQX-APWZRJJASA-N 2 1 286.463 3.819 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CCC2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000090233848 1117758812 /nfs/dbraw/zinc/75/88/12/1117758812.db2.gz UCZHKNGQEXIEQX-APWZRJJASA-N 2 1 286.463 3.819 20 0 CHADMP Cc1cc(NCC[N@@H+]2CCC[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000195667322 1128734975 /nfs/dbraw/zinc/73/49/75/1128734975.db2.gz NHBODNUGPUTQRC-CQSZACIVSA-N 2 1 283.419 3.687 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430164940 1117801767 /nfs/dbraw/zinc/80/17/67/1117801767.db2.gz MZSXIRIRUKPOFF-ZWKOTPCHSA-N 2 1 278.484 3.787 20 0 CHADMP CC(C)=CCC[C@H](C)CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000430164940 1117801770 /nfs/dbraw/zinc/80/17/70/1117801770.db2.gz MZSXIRIRUKPOFF-ZWKOTPCHSA-N 2 1 278.484 3.787 20 0 CHADMP CC(C)=CCC[C@H](C)CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000430164940 1117801775 /nfs/dbraw/zinc/80/17/75/1117801775.db2.gz MZSXIRIRUKPOFF-ZWKOTPCHSA-N 2 1 278.484 3.787 20 0 CHADMP CCCC1CCC(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CC1 ZINC000430167539 1117802004 /nfs/dbraw/zinc/80/20/04/1117802004.db2.gz PXBLWYBIJZMZPV-DAWZGUTISA-N 2 1 278.484 3.621 20 0 CHADMP CCCC1CCC(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000430167539 1117802008 /nfs/dbraw/zinc/80/20/08/1117802008.db2.gz PXBLWYBIJZMZPV-DAWZGUTISA-N 2 1 278.484 3.621 20 0 CHADMP CCCC1CCC(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000430167539 1117802012 /nfs/dbraw/zinc/80/20/12/1117802012.db2.gz PXBLWYBIJZMZPV-DAWZGUTISA-N 2 1 278.484 3.621 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(Cl)cc1 ZINC000623336833 1117833662 /nfs/dbraw/zinc/83/36/62/1117833662.db2.gz HWULCKCRXJLEAH-IUODEOHRSA-N 2 1 280.843 3.863 20 0 CHADMP CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623344979 1117837716 /nfs/dbraw/zinc/83/77/16/1117837716.db2.gz LQCMUMNWHWWSAV-GDBMZVCRSA-N 2 1 290.451 3.609 20 0 CHADMP CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623339895 1117839040 /nfs/dbraw/zinc/83/90/40/1117839040.db2.gz OMLBFYYSRKPLRI-IRXDYDNUSA-N 2 1 274.452 3.990 20 0 CHADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623351099 1117840112 /nfs/dbraw/zinc/84/01/12/1117840112.db2.gz AYCYTOKTRNZBPB-ROUUACIJSA-N 2 1 288.479 3.889 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)c2ccccc2)CC1(C)C ZINC000623375438 1117845582 /nfs/dbraw/zinc/84/55/82/1117845582.db2.gz NGDVIEUXBDKKFW-QGZVFWFLSA-N 2 1 288.479 3.817 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C2(c3ccccc3)CCC2)CC1(C)C ZINC000623386036 1117847292 /nfs/dbraw/zinc/84/72/92/1117847292.db2.gz IBMWWSAXCWXZTL-INIZCTEOSA-N 2 1 272.436 3.528 20 0 CHADMP CCOc1cccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623384258 1117847788 /nfs/dbraw/zinc/84/77/88/1117847788.db2.gz UMPSILJXZTWFHR-GDBMZVCRSA-N 2 1 290.451 3.609 20 0 CHADMP Cc1ccccc1[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C1CC1 ZINC000623416310 1117852690 /nfs/dbraw/zinc/85/26/90/1117852690.db2.gz QEOOFIATVDQMMT-SJLPKXTDSA-N 2 1 286.463 3.909 20 0 CHADMP Cc1cccnc1[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623420405 1117854139 /nfs/dbraw/zinc/85/41/39/1117854139.db2.gz AUPAFFIBEWYFCC-JKSUJKDBSA-N 2 1 289.467 3.550 20 0 CHADMP Cc1cccnc1[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000623420405 1117854142 /nfs/dbraw/zinc/85/41/42/1117854142.db2.gz AUPAFFIBEWYFCC-JKSUJKDBSA-N 2 1 289.467 3.550 20 0 CHADMP Cc1cccc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623429008 1117856029 /nfs/dbraw/zinc/85/60/29/1117856029.db2.gz IRPRGNUMQOGMCT-NVXWUHKLSA-N 2 1 274.452 3.561 20 0 CHADMP C[C@@H]1CCc2ccccc2[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623476794 1117862979 /nfs/dbraw/zinc/86/29/79/1117862979.db2.gz PBSLTRXSPUAHMC-KYJSFNMBSA-N 2 1 286.463 3.772 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)CC1(C)C ZINC000623512861 1117864518 /nfs/dbraw/zinc/86/45/18/1117864518.db2.gz XMLHFSPKBXEZBK-KKUMJFAQSA-N 2 1 290.426 3.534 20 0 CHADMP CC(C)[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1F ZINC000623564791 1117872342 /nfs/dbraw/zinc/87/23/42/1117872342.db2.gz QYURXFRVQLTRQC-WMLDXEAASA-N 2 1 292.442 3.985 20 0 CHADMP CC(C)[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1F ZINC000623564791 1117872347 /nfs/dbraw/zinc/87/23/47/1117872347.db2.gz QYURXFRVQLTRQC-WMLDXEAASA-N 2 1 292.442 3.985 20 0 CHADMP C[C@H](CCc1ccccc1)C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657465 1117883156 /nfs/dbraw/zinc/88/31/56/1117883156.db2.gz RFWLRXFRSMGWEM-MJGOQNOKSA-N 2 1 288.479 3.577 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccoc2)c1 ZINC000177980291 1117883401 /nfs/dbraw/zinc/88/34/01/1117883401.db2.gz UATFOHVARBSPNI-HNNXBMFYSA-N 2 1 286.419 3.971 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2F)CC[N@@H+]1Cc1ccccc1 ZINC000339583897 1117889932 /nfs/dbraw/zinc/88/99/32/1117889932.db2.gz KLGDKVHTIXYVPM-BGTYHANMSA-N 2 1 290.426 3.520 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2F)CC[N@H+]1Cc1ccccc1 ZINC000339583897 1117889937 /nfs/dbraw/zinc/88/99/37/1117889937.db2.gz KLGDKVHTIXYVPM-BGTYHANMSA-N 2 1 290.426 3.520 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000178697570 1117896082 /nfs/dbraw/zinc/89/60/82/1117896082.db2.gz SITDZNGQQUKCSL-BZUAXINKSA-N 2 1 285.435 3.609 20 0 CHADMP CC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)C1CCCCC1 ZINC000178707772 1117896143 /nfs/dbraw/zinc/89/61/43/1117896143.db2.gz LNUMLWAUZFCTIX-PBHICJAKSA-N 2 1 277.456 3.776 20 0 CHADMP CCOc1ccccc1[C@H](CC)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000179755635 1117913455 /nfs/dbraw/zinc/91/34/55/1117913455.db2.gz OBBNMZVGWNVCLZ-WBVHZDCISA-N 2 1 290.451 3.610 20 0 CHADMP CC[C@@H](CCc1ccccc1)[NH2+]CCCn1cc[nH+]c1C ZINC000623867600 1117946172 /nfs/dbraw/zinc/94/61/72/1117946172.db2.gz FQLYQEWRWMKLRP-SFHVURJKSA-N 2 1 285.435 3.583 20 0 CHADMP C[N@@H+]1CC[C@H](Nc2cccc3cc[nH+]cc32)CC1(C)C ZINC000623953726 1117961195 /nfs/dbraw/zinc/96/11/95/1117961195.db2.gz NIGMNWPZBLLKEY-AWEZNQCLSA-N 2 1 269.392 3.520 20 0 CHADMP C[N@H+]1CC[C@H](Nc2cccc3cc[nH+]cc32)CC1(C)C ZINC000623953726 1117961198 /nfs/dbraw/zinc/96/11/98/1117961198.db2.gz NIGMNWPZBLLKEY-AWEZNQCLSA-N 2 1 269.392 3.520 20 0 CHADMP CCC[NH+]1CCC([NH2+]Cc2oc3ccccc3c2C)CC1 ZINC000119964500 1117971560 /nfs/dbraw/zinc/97/15/60/1117971560.db2.gz NVALBBQORUAUAJ-UHFFFAOYSA-N 2 1 286.419 3.705 20 0 CHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000245690005 1117983296 /nfs/dbraw/zinc/98/32/96/1117983296.db2.gz VVGVLJFAHWKENS-JKSUJKDBSA-N 2 1 264.457 3.515 20 0 CHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000245690005 1117983297 /nfs/dbraw/zinc/98/32/97/1117983297.db2.gz VVGVLJFAHWKENS-JKSUJKDBSA-N 2 1 264.457 3.515 20 0 CHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C2CCCC2)C1 ZINC000245690005 1117983292 /nfs/dbraw/zinc/98/32/92/1117983292.db2.gz VVGVLJFAHWKENS-JKSUJKDBSA-N 2 1 264.457 3.515 20 0 CHADMP C[C@@H]1[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C[C@@H]1c1ccccc1 ZINC000624122312 1117984566 /nfs/dbraw/zinc/98/45/66/1117984566.db2.gz OCFFNVKPZWAHKS-OGWHTMIXSA-N 2 1 286.463 3.500 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@@H](C)c1ccccc1 ZINC000624121179 1117985064 /nfs/dbraw/zinc/98/50/64/1117985064.db2.gz PPARYTJDHMEOBO-IKGGRYGDSA-N 2 1 274.452 3.500 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1C ZINC000624120428 1117985912 /nfs/dbraw/zinc/98/59/12/1117985912.db2.gz YWRSRYUBFZLOQS-DLBZAZTESA-N 2 1 274.452 3.686 20 0 CHADMP CC(C)CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C1CC1 ZINC000624123105 1117985928 /nfs/dbraw/zinc/98/59/28/1117985928.db2.gz FYUIYBBVKRODKJ-NVXWUHKLSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000624122973 1117986365 /nfs/dbraw/zinc/98/63/65/1117986365.db2.gz BZLRAUUJNHHDNX-NEPXVJNWSA-N 2 1 286.463 3.500 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C1CCC(F)(F)CC1 ZINC000624123193 1117986640 /nfs/dbraw/zinc/98/66/40/1117986640.db2.gz HRHIOWWRYNSXON-UONOGXRCSA-N 2 1 288.426 3.522 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000315166418 1117987831 /nfs/dbraw/zinc/98/78/31/1117987831.db2.gz XONSDTRZFABJLK-QZTJIDSGSA-N 2 1 283.419 3.508 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cccc2[nH]ccc21 ZINC000237671387 1128750607 /nfs/dbraw/zinc/75/06/07/1128750607.db2.gz VEKIYZIDMQUHPI-MRXNPFEDSA-N 2 1 299.462 3.912 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+]C2CC(c3cccc(Cl)c3)C2)C1 ZINC000037644385 1118033736 /nfs/dbraw/zinc/03/37/36/1118033736.db2.gz QJZWUJXVZKNPHF-BZOOQXSSSA-N 2 1 292.854 3.517 20 0 CHADMP C[C@@H](CCc1ccco1)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000037901169 1118045911 /nfs/dbraw/zinc/04/59/11/1118045911.db2.gz SBRQTHNNBGYQJN-INIZCTEOSA-N 2 1 292.467 3.845 20 0 CHADMP CCC[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cccnc1 ZINC000184893171 1118057653 /nfs/dbraw/zinc/05/76/53/1118057653.db2.gz BCTPORCEZIEBTN-WMZOPIPTSA-N 2 1 289.467 3.777 20 0 CHADMP CCC[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccnc1 ZINC000184893171 1118057658 /nfs/dbraw/zinc/05/76/58/1118057658.db2.gz BCTPORCEZIEBTN-WMZOPIPTSA-N 2 1 289.467 3.777 20 0 CHADMP C[N@@H+](CCC[NH+]1CCCCC1)CCc1ccc(Cl)cc1 ZINC001209451369 1118063270 /nfs/dbraw/zinc/06/32/70/1118063270.db2.gz VXBDRELEZFSMPY-UHFFFAOYSA-N 2 1 294.870 3.690 20 0 CHADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417302584 1118066706 /nfs/dbraw/zinc/06/67/06/1118066706.db2.gz CLXBWQJITQSVKE-ZQDZILKHSA-N 2 1 280.481 3.560 20 0 CHADMP C[C@H](C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)c1cccc(Cl)c1 ZINC000683358847 1118070540 /nfs/dbraw/zinc/07/05/40/1118070540.db2.gz GHYJFALHFNAHJU-RHSMWYFYSA-N 2 1 294.870 3.860 20 0 CHADMP C[C@H](C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)c1cccc(Cl)c1 ZINC000683358847 1118070545 /nfs/dbraw/zinc/07/05/45/1118070545.db2.gz GHYJFALHFNAHJU-RHSMWYFYSA-N 2 1 294.870 3.860 20 0 CHADMP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001258086899 1128754914 /nfs/dbraw/zinc/75/49/14/1128754914.db2.gz WZDVHRZLQMLETB-IXDOHACOSA-N 2 1 266.473 3.830 20 0 CHADMP CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001258086906 1128755173 /nfs/dbraw/zinc/75/51/73/1128755173.db2.gz WZDVHRZLQMLETB-ULQDDVLXSA-N 2 1 266.473 3.830 20 0 CHADMP Cc1oc2ccccc2c1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000123275222 1118154720 /nfs/dbraw/zinc/15/47/20/1118154720.db2.gz NRMIXGCIEVOIKK-HNNXBMFYSA-N 2 1 286.419 3.561 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCc2cc(C)cc(C)c21 ZINC000655715226 1118191789 /nfs/dbraw/zinc/19/17/89/1118191789.db2.gz HSIXHJQNCYRFSG-GOSISDBHSA-N 2 1 297.446 3.866 20 0 CHADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC000655773045 1118207145 /nfs/dbraw/zinc/20/71/45/1118207145.db2.gz WQLGAQRVBQAROR-FBVQUNGASA-N 2 1 284.447 3.506 20 0 CHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)CC1CCCCC1 ZINC001648818486 1118229794 /nfs/dbraw/zinc/22/97/94/1118229794.db2.gz BACKKULSUICNPR-CGTJXYLNSA-N 2 1 278.484 3.809 20 0 CHADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)CC1CCCCC1 ZINC001648818486 1118229796 /nfs/dbraw/zinc/22/97/96/1118229796.db2.gz BACKKULSUICNPR-CGTJXYLNSA-N 2 1 278.484 3.809 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000765759177 1118240885 /nfs/dbraw/zinc/24/08/85/1118240885.db2.gz SZPOWFLRHFXVIQ-NRSFXHEJSA-N 2 1 289.467 3.776 20 0 CHADMP Cc1scc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1C ZINC000399855141 1118333716 /nfs/dbraw/zinc/33/37/16/1118333716.db2.gz MKJBCZRADAXPOS-JKSUJKDBSA-N 2 1 272.417 3.599 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CCc2ccccc21 ZINC000683788587 1118371107 /nfs/dbraw/zinc/37/11/07/1118371107.db2.gz MEXWZKNAPQWCPV-SFHVURJKSA-N 2 1 297.446 3.845 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000683788587 1118371110 /nfs/dbraw/zinc/37/11/10/1118371110.db2.gz MEXWZKNAPQWCPV-SFHVURJKSA-N 2 1 297.446 3.845 20 0 CHADMP CCC[NH+]1CCC([N@H+](C)C/C=C\c2ccccc2)CC1 ZINC000255331807 1118414908 /nfs/dbraw/zinc/41/49/08/1118414908.db2.gz OCUCYTXDRCFIOH-YFHOEESVSA-N 2 1 272.436 3.506 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)C/C=C\c2ccccc2)CC1 ZINC000255331807 1118414909 /nfs/dbraw/zinc/41/49/09/1118414909.db2.gz OCUCYTXDRCFIOH-YFHOEESVSA-N 2 1 272.436 3.506 20 0 CHADMP Cc1ccc2c(C)cc(NC[C@H]3C[C@@H]([NH+](C)C)C3)[nH+]c2c1 ZINC000656211414 1118448155 /nfs/dbraw/zinc/44/81/55/1118448155.db2.gz ZODWZTNIBQSQOK-GASCZTMLSA-N 2 1 283.419 3.604 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+]CCC1CCCCC1 ZINC001664922145 1118529673 /nfs/dbraw/zinc/52/96/73/1118529673.db2.gz FIZXFNLPBCLSHJ-HNNXBMFYSA-N 2 1 254.462 3.667 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]CCC1CCCCC1 ZINC001664922145 1118529676 /nfs/dbraw/zinc/52/96/76/1118529676.db2.gz FIZXFNLPBCLSHJ-HNNXBMFYSA-N 2 1 254.462 3.667 20 0 CHADMP Cc1cc2[nH]c(C[N@@H+](C)CCCn3ccnc3)cc2c(C)c1 ZINC000349414508 1118588202 /nfs/dbraw/zinc/58/82/02/1118588202.db2.gz GPFZNNULCXYOCB-UHFFFAOYSA-N 2 1 296.418 3.503 20 0 CHADMP CC[NH+]1CCC(C[N@@H+](C2CC2)C2CCCCC2)CC1 ZINC001204565879 1118621233 /nfs/dbraw/zinc/62/12/33/1118621233.db2.gz PSTNKANPXMTTFC-UHFFFAOYSA-N 2 1 264.457 3.515 20 0 CHADMP CC(C)[N@@H+](Cc1ccc(C(F)F)cc1)[C@H]1CCC[NH2+]CC1 ZINC001206592191 1128796293 /nfs/dbraw/zinc/79/62/93/1128796293.db2.gz YDDANZZWSUTYKZ-INIZCTEOSA-N 2 1 296.405 3.977 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CCC1 ZINC000647196545 1118733205 /nfs/dbraw/zinc/73/32/05/1118733205.db2.gz DAWQQBPKGSFWHY-APWZRJJASA-N 2 1 298.474 3.962 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CCC1 ZINC000647196545 1118733208 /nfs/dbraw/zinc/73/32/08/1118733208.db2.gz DAWQQBPKGSFWHY-APWZRJJASA-N 2 1 298.474 3.962 20 0 CHADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000430694617 1118748366 /nfs/dbraw/zinc/74/83/66/1118748366.db2.gz DUHZHNHPTNELIY-UAGQMJEPSA-N 2 1 277.456 3.776 20 0 CHADMP C[C@@H]([NH2+]CC1=CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000401090822 1118778726 /nfs/dbraw/zinc/77/87/26/1118778726.db2.gz VLRPRKUJBQPAAI-VQIMIIECSA-N 2 1 284.447 3.597 20 0 CHADMP C[N@@H+](CCC[NH2+][C@H]1CC[C@@H]1C1CCC1)Cc1ccccc1 ZINC000510665817 1118784638 /nfs/dbraw/zinc/78/46/38/1118784638.db2.gz CXIZCBQQXXQXMV-MOPGFXCFSA-N 2 1 286.463 3.677 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](CC(C)C)c1ccccc1C ZINC000341685469 1118798043 /nfs/dbraw/zinc/79/80/43/1118798043.db2.gz RWUHJUNUPJJQQP-GOSISDBHSA-N 2 1 285.435 3.877 20 0 CHADMP C[NH+](C)C1(C[NH2+]C2CCC3(CCCC3)CC2)CCCC1 ZINC000129464418 1118837060 /nfs/dbraw/zinc/83/70/60/1118837060.db2.gz CQZCQXRDAOZDCP-UHFFFAOYSA-N 2 1 278.484 3.953 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(F)cn1 ZINC000092739329 1118850564 /nfs/dbraw/zinc/85/05/64/1118850564.db2.gz DNPLEIMHASGEDU-CABCVRRESA-N 2 1 293.430 3.526 20 0 CHADMP C[C@@H]1C[C@H]([N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)CC(C)(C)C1 ZINC000226436747 1118927962 /nfs/dbraw/zinc/92/79/62/1118927962.db2.gz FEFUVGRQTHZHPI-INMHGKMJSA-N 2 1 278.484 3.665 20 0 CHADMP CCSc1cccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000472048185 1118950610 /nfs/dbraw/zinc/95/06/10/1118950610.db2.gz OULQJWZRQYMKJW-RHSMWYFYSA-N 2 1 292.492 3.619 20 0 CHADMP C[N@@H+](CCCC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001167506246 1118954147 /nfs/dbraw/zinc/95/41/47/1118954147.db2.gz ZZOOZWSLKFOCFW-IBGZPJMESA-N 2 1 286.463 3.631 20 0 CHADMP C[NH+](CCCC1CC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001167506246 1118954149 /nfs/dbraw/zinc/95/41/49/1118954149.db2.gz ZZOOZWSLKFOCFW-IBGZPJMESA-N 2 1 286.463 3.631 20 0 CHADMP C[NH+](CCCC1CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001167506246 1118954151 /nfs/dbraw/zinc/95/41/51/1118954151.db2.gz ZZOOZWSLKFOCFW-IBGZPJMESA-N 2 1 286.463 3.631 20 0 CHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccccc1C1CC1 ZINC001167509986 1118973355 /nfs/dbraw/zinc/97/33/55/1118973355.db2.gz RZBOEVCJXJULDQ-SFHVURJKSA-N 2 1 286.463 3.870 20 0 CHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccccc1C1CC1 ZINC001167509986 1118973358 /nfs/dbraw/zinc/97/33/58/1118973358.db2.gz RZBOEVCJXJULDQ-SFHVURJKSA-N 2 1 286.463 3.870 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1C1CC1 ZINC001167509986 1118973360 /nfs/dbraw/zinc/97/33/60/1118973360.db2.gz RZBOEVCJXJULDQ-SFHVURJKSA-N 2 1 286.463 3.870 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccccc1C1CC1 ZINC001167509986 1118973365 /nfs/dbraw/zinc/97/33/65/1118973365.db2.gz RZBOEVCJXJULDQ-SFHVURJKSA-N 2 1 286.463 3.870 20 0 CHADMP C/C(=C\c1ccccc1)C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000105456610 1118982693 /nfs/dbraw/zinc/98/26/93/1118982693.db2.gz KLRWAUXIMCVACE-XYSGSMRZSA-N 2 1 286.463 3.800 20 0 CHADMP C1CC(C2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)C1 ZINC000657313318 1118987802 /nfs/dbraw/zinc/98/78/02/1118987802.db2.gz IWDKUPYMMVWWCB-FOIPXRHGSA-N 2 1 276.468 3.562 20 0 CHADMP Cc1ccc2cc(C[NH2+]C[C@@H]3CCC[N@H+](C(C)C)C3)[nH]c2c1 ZINC000657347529 1119018315 /nfs/dbraw/zinc/01/83/15/1119018315.db2.gz AQOFNKLGGVIVLK-INIZCTEOSA-N 2 1 299.462 3.686 20 0 CHADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000582212956 1119034931 /nfs/dbraw/zinc/03/49/31/1119034931.db2.gz JFWRKPDJZNKION-RFSCMCKOSA-N 2 1 296.405 3.529 20 0 CHADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000582212956 1119034933 /nfs/dbraw/zinc/03/49/33/1119034933.db2.gz JFWRKPDJZNKION-RFSCMCKOSA-N 2 1 296.405 3.529 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc2ccc(C)cc2[nH]1 ZINC000657375304 1119038463 /nfs/dbraw/zinc/03/84/63/1119038463.db2.gz XXRYVWGQGGONRJ-UHFFFAOYSA-N 2 1 296.418 3.551 20 0 CHADMP CC[C@H]1CCC[C@@H]([NH2+]CCCCn2cc[nH+]c2C)CC1 ZINC000657374439 1119040880 /nfs/dbraw/zinc/04/08/80/1119040880.db2.gz LFDKKSJTEQQWAH-DLBZAZTESA-N 2 1 277.456 3.920 20 0 CHADMP CCC[N@@H+](Cc1cccc2ccccc21)C1CC[NH2+]CC1 ZINC000037539254 1119062309 /nfs/dbraw/zinc/06/23/09/1119062309.db2.gz XKEKRRFNERQEKI-UHFFFAOYSA-N 2 1 282.431 3.804 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000342670926 1119119828 /nfs/dbraw/zinc/11/98/28/1119119828.db2.gz PXYDPPFFOBTYML-LJQANCHMSA-N 2 1 297.446 3.679 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000342670926 1119119829 /nfs/dbraw/zinc/11/98/29/1119119829.db2.gz PXYDPPFFOBTYML-LJQANCHMSA-N 2 1 297.446 3.679 20 0 CHADMP CC[NH+]1CCC([N@H+](C)CC[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001167586470 1119121342 /nfs/dbraw/zinc/12/13/42/1119121342.db2.gz MWHIPMAKEOKJHH-FVQHAEBGSA-N 2 1 280.500 3.865 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)CC[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001167586470 1119121343 /nfs/dbraw/zinc/12/13/43/1119121343.db2.gz MWHIPMAKEOKJHH-FVQHAEBGSA-N 2 1 280.500 3.865 20 0 CHADMP CC(C)[NH+](CCC[NH2+][C@H]1CCCc2cccnc21)C(C)C ZINC000684956961 1119141405 /nfs/dbraw/zinc/14/14/05/1119141405.db2.gz DPFOAQAHIBANLF-KRWDZBQOSA-N 2 1 289.467 3.558 20 0 CHADMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)C1CC(F)(F)C1 ZINC000628200624 1128826733 /nfs/dbraw/zinc/82/67/33/1128826733.db2.gz USPYULLACVPAFB-CQSZACIVSA-N 2 1 296.405 3.532 20 0 CHADMP CC1=CC[C@@H](CC[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)C1(C)C ZINC001279593106 1119202561 /nfs/dbraw/zinc/20/25/61/1119202561.db2.gz YMEFAHJYJUCYNJ-PKOBYXMFSA-N 2 1 290.495 3.787 20 0 CHADMP CC1=CC[C@@H](CC[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)C1(C)C ZINC001279593106 1119202564 /nfs/dbraw/zinc/20/25/64/1119202564.db2.gz YMEFAHJYJUCYNJ-PKOBYXMFSA-N 2 1 290.495 3.787 20 0 CHADMP CC1=CC[C@@H](CC[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)C1(C)C ZINC001279593106 1119202568 /nfs/dbraw/zinc/20/25/68/1119202568.db2.gz YMEFAHJYJUCYNJ-PKOBYXMFSA-N 2 1 290.495 3.787 20 0 CHADMP c1cc(-c2ccccc2)oc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000119417614 1119211567 /nfs/dbraw/zinc/21/15/67/1119211567.db2.gz XCGNMNXXUSDFQE-OAHLLOKOSA-N 2 1 296.414 3.521 20 0 CHADMP c1cc(-c2ccccc2)oc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000119417614 1119211570 /nfs/dbraw/zinc/21/15/70/1119211570.db2.gz XCGNMNXXUSDFQE-OAHLLOKOSA-N 2 1 296.414 3.521 20 0 CHADMP CCCCC[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000342860630 1119215157 /nfs/dbraw/zinc/21/51/57/1119215157.db2.gz PZPDUULBPFRKJE-INIZCTEOSA-N 2 1 263.429 3.626 20 0 CHADMP CCCCC[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000342860630 1119215160 /nfs/dbraw/zinc/21/51/60/1119215160.db2.gz PZPDUULBPFRKJE-INIZCTEOSA-N 2 1 263.429 3.626 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1cc(C)ccc1C ZINC000342860741 1119216348 /nfs/dbraw/zinc/21/63/48/1119216348.db2.gz UEOIYLPTQOCYCO-MRXNPFEDSA-N 2 1 285.435 3.891 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1cc(C)ccc1C ZINC000342860741 1119216350 /nfs/dbraw/zinc/21/63/50/1119216350.db2.gz UEOIYLPTQOCYCO-MRXNPFEDSA-N 2 1 285.435 3.891 20 0 CHADMP Cc1nccn1CCC[N@@H+](Cc1ccc(F)cc1)C(C)C ZINC000342864192 1119216543 /nfs/dbraw/zinc/21/65/43/1119216543.db2.gz LYVQAYZNRCIXPE-UHFFFAOYSA-N 2 1 289.398 3.631 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccc(F)cc1)C(C)C ZINC000342864192 1119216545 /nfs/dbraw/zinc/21/65/45/1119216545.db2.gz LYVQAYZNRCIXPE-UHFFFAOYSA-N 2 1 289.398 3.631 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccc(F)cc1)C(C)C ZINC000342864192 1119216546 /nfs/dbraw/zinc/21/65/46/1119216546.db2.gz LYVQAYZNRCIXPE-UHFFFAOYSA-N 2 1 289.398 3.631 20 0 CHADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc2c(c1)CCCC2 ZINC000583270859 1119330779 /nfs/dbraw/zinc/33/07/79/1119330779.db2.gz FUHGFOXLGLVLCH-HNNXBMFYSA-N 2 1 297.446 3.582 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2CC3(CCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000448063996 1119369695 /nfs/dbraw/zinc/36/96/95/1119369695.db2.gz MNHHLECLMRSKOA-SJLPKXTDSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2CC3(CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000448063996 1119369699 /nfs/dbraw/zinc/36/96/99/1119369699.db2.gz MNHHLECLMRSKOA-SJLPKXTDSA-N 2 1 298.474 3.962 20 0 CHADMP CC(C)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657771142 1119377945 /nfs/dbraw/zinc/37/79/45/1119377945.db2.gz CECOMZBMDSMHTC-SFHVURJKSA-N 2 1 286.463 3.534 20 0 CHADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CC1 ZINC000657773354 1119383313 /nfs/dbraw/zinc/38/33/13/1119383313.db2.gz QSYFFCBJONRBEQ-LPHOPBHVSA-N 2 1 298.474 3.677 20 0 CHADMP C[C@H](NCC[N@@H+]1CC[C@H](C)C1)c1cccc(C2CC2)c1 ZINC000583645427 1119390247 /nfs/dbraw/zinc/39/02/47/1119390247.db2.gz WJJPJZNTHDHTNJ-GJZGRUSLSA-N 2 1 272.436 3.556 20 0 CHADMP C[C@H](NCC[N@H+]1CC[C@H](C)C1)c1cccc(C2CC2)c1 ZINC000583645427 1119390249 /nfs/dbraw/zinc/39/02/49/1119390249.db2.gz WJJPJZNTHDHTNJ-GJZGRUSLSA-N 2 1 272.436 3.556 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(C)cc(C)c2)C1 ZINC000151095638 1119392521 /nfs/dbraw/zinc/39/25/21/1119392521.db2.gz HATKHDMJRKQFNL-DLBZAZTESA-N 2 1 274.452 3.686 20 0 CHADMP CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCC)C1)c1ccccc1 ZINC000151094387 1119393283 /nfs/dbraw/zinc/39/32/83/1119393283.db2.gz NWRGRGQINNVIRD-WMZOPIPTSA-N 2 1 274.452 3.849 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(Cl)c2)C1 ZINC000151119247 1119400533 /nfs/dbraw/zinc/40/05/33/1119400533.db2.gz CXKVEIQPSKWGOU-UONOGXRCSA-N 2 1 280.843 3.723 20 0 CHADMP CC(C)C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccncc1 ZINC000647306762 1119407745 /nfs/dbraw/zinc/40/77/45/1119407745.db2.gz HXMKFAOSLYRDTM-SFHVURJKSA-N 2 1 289.467 3.633 20 0 CHADMP CC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1F ZINC000168749317 1119474460 /nfs/dbraw/zinc/47/44/60/1119474460.db2.gz IPYVFJJLIQRZIT-KRWDZBQOSA-N 2 1 278.415 3.742 20 0 CHADMP Cc1ccc([C@@H](C)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000628182041 1119492792 /nfs/dbraw/zinc/49/27/92/1119492792.db2.gz AMJQGOUHZLBPTA-ZWKOTPCHSA-N 2 1 286.463 3.516 20 0 CHADMP C[N@@H+](CCCn1ccnc1)[C@H]1CCc2ccc(Cl)cc21 ZINC000343724818 1119495311 /nfs/dbraw/zinc/49/53/11/1119495311.db2.gz ZCUGGTZYYDAFQA-INIZCTEOSA-N 2 1 289.810 3.546 20 0 CHADMP CC(C)[NH+](CCOCC[N@H+](C(C)C)C1CCC1)C1CCC1 ZINC000343727815 1119496113 /nfs/dbraw/zinc/49/61/13/1119496113.db2.gz HZTKXGUXXJSAHJ-UHFFFAOYSA-N 2 1 296.499 3.529 20 0 CHADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000657840316 1119503166 /nfs/dbraw/zinc/50/31/66/1119503166.db2.gz DQURTGFPWWZZJN-RDJZCZTQSA-N 2 1 294.870 3.593 20 0 CHADMP C[C@H]([NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1)C(C)(C)C(F)F ZINC000657845154 1119508054 /nfs/dbraw/zinc/50/80/54/1119508054.db2.gz QJNXEWWICRRAKC-DVOMOZLQSA-N 2 1 290.442 3.766 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@]1(C)CCCS1 ZINC000628202679 1119525453 /nfs/dbraw/zinc/52/54/53/1119525453.db2.gz CYWBIKRMIQFYGE-JKSUJKDBSA-N 2 1 284.513 3.516 20 0 CHADMP CCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000090219719 1119543537 /nfs/dbraw/zinc/54/35/37/1119543537.db2.gz HWQMAZBHBDKUIN-SJLPKXTDSA-N 2 1 286.463 3.819 20 0 CHADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000090219719 1119543541 /nfs/dbraw/zinc/54/35/41/1119543541.db2.gz HWQMAZBHBDKUIN-SJLPKXTDSA-N 2 1 286.463 3.819 20 0 CHADMP C[N@@H+](CCCC1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375764559 1119576137 /nfs/dbraw/zinc/57/61/37/1119576137.db2.gz RBFUVUWZURNZPW-SJPCQFCGSA-N 2 1 264.457 3.514 20 0 CHADMP Cc1cc(Cl)ccc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000468391000 1119597665 /nfs/dbraw/zinc/59/76/65/1119597665.db2.gz AQWZYVPWPIRWBI-WBVHZDCISA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(Cl)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000468391000 1119597669 /nfs/dbraw/zinc/59/76/69/1119597669.db2.gz AQWZYVPWPIRWBI-WBVHZDCISA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(Cl)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000468391000 1119597672 /nfs/dbraw/zinc/59/76/72/1119597672.db2.gz AQWZYVPWPIRWBI-WBVHZDCISA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000468391000 1119597674 /nfs/dbraw/zinc/59/76/74/1119597674.db2.gz AQWZYVPWPIRWBI-WBVHZDCISA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000468391000 1119597677 /nfs/dbraw/zinc/59/76/77/1119597677.db2.gz AQWZYVPWPIRWBI-WBVHZDCISA-N 2 1 292.854 3.565 20 0 CHADMP C/C(=C/c1ccccc1)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000685443832 1119607713 /nfs/dbraw/zinc/60/77/13/1119607713.db2.gz XYPIEKBNYCBTJM-DFBOPTKASA-N 2 1 284.447 3.647 20 0 CHADMP CC(C)CCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000685455218 1119610954 /nfs/dbraw/zinc/61/09/54/1119610954.db2.gz KXMFLCVIAMZXSL-JKSUJKDBSA-N 2 1 254.462 3.521 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccccc1C1CC1 ZINC000685462123 1119611117 /nfs/dbraw/zinc/61/11/17/1119611117.db2.gz DJAGLDGONSGBSJ-UHFFFAOYSA-N 2 1 283.419 3.591 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccccc1C1CC1 ZINC000685462123 1119611118 /nfs/dbraw/zinc/61/11/18/1119611118.db2.gz DJAGLDGONSGBSJ-UHFFFAOYSA-N 2 1 283.419 3.591 20 0 CHADMP CCCc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000685470720 1119612357 /nfs/dbraw/zinc/61/23/57/1119612357.db2.gz LBZSUMNTSXDGKY-RBUKOAKNSA-N 2 1 286.463 3.555 20 0 CHADMP CCCc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000685470720 1119612359 /nfs/dbraw/zinc/61/23/59/1119612359.db2.gz LBZSUMNTSXDGKY-RBUKOAKNSA-N 2 1 286.463 3.555 20 0 CHADMP CCCc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000685470720 1119612361 /nfs/dbraw/zinc/61/23/61/1119612361.db2.gz LBZSUMNTSXDGKY-RBUKOAKNSA-N 2 1 286.463 3.555 20 0 CHADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+]C2C[C@@H](C)C[C@H](C)C2)C1 ZINC001258155086 1128861838 /nfs/dbraw/zinc/86/18/38/1128861838.db2.gz AATWIIRGAJRLPT-KKUMJFAQSA-N 2 1 266.473 3.664 20 0 CHADMP CCC(CC)[N@H+]1CC[C@H]([NH2+]C2C[C@@H](C)C[C@H](C)C2)C1 ZINC001258155086 1128861843 /nfs/dbraw/zinc/86/18/43/1128861843.db2.gz AATWIIRGAJRLPT-KKUMJFAQSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1F ZINC000658166349 1119695506 /nfs/dbraw/zinc/69/55/06/1119695506.db2.gz KCQOEVWRICMRST-CPUCHLNUSA-N 2 1 278.415 3.595 20 0 CHADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1F ZINC000658166349 1119695507 /nfs/dbraw/zinc/69/55/07/1119695507.db2.gz KCQOEVWRICMRST-CPUCHLNUSA-N 2 1 278.415 3.595 20 0 CHADMP C[C@H](Cc1ccsc1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658228327 1119706647 /nfs/dbraw/zinc/70/66/47/1119706647.db2.gz HTUPMRUPTKQLRR-GDBMZVCRSA-N 2 1 292.492 3.676 20 0 CHADMP C[C@H](Cc1ccsc1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658228327 1119706649 /nfs/dbraw/zinc/70/66/49/1119706649.db2.gz HTUPMRUPTKQLRR-GDBMZVCRSA-N 2 1 292.492 3.676 20 0 CHADMP CC1CC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000658320138 1119722707 /nfs/dbraw/zinc/72/27/07/1119722707.db2.gz NVVXQUPPQMGJKW-AVAKVYKDSA-N 2 1 298.474 3.677 20 0 CHADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc2c(c1)CCCC2 ZINC000569937017 1119783574 /nfs/dbraw/zinc/78/35/74/1119783574.db2.gz FUHGFOXLGLVLCH-OAHLLOKOSA-N 2 1 297.446 3.582 20 0 CHADMP C[C@@H](CC1CCC1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309741482 1119834407 /nfs/dbraw/zinc/83/44/07/1119834407.db2.gz RZCSUUAGPLEZHR-QFBILLFUSA-N 2 1 286.463 3.677 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000309761421 1119835248 /nfs/dbraw/zinc/83/52/48/1119835248.db2.gz YDSGLAYKFNZYST-RBUKOAKNSA-N 2 1 288.479 3.923 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)[C@H]1C[C@H]1C ZINC000414066041 1119878643 /nfs/dbraw/zinc/87/86/43/1119878643.db2.gz OZMPXNWEULHOIN-VKJFTORMSA-N 2 1 274.452 3.661 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)[C@H]2C[C@H]2C)CC1 ZINC000414074312 1119883859 /nfs/dbraw/zinc/88/38/59/1119883859.db2.gz OAILGAQGAJZHOF-MDZRGWNJSA-N 2 1 286.463 3.594 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@H]1C[C@H]1C ZINC000414080129 1119886631 /nfs/dbraw/zinc/88/66/31/1119886631.db2.gz CSOFDHAHDYPJDE-JEWRLFTDSA-N 2 1 286.463 3.846 20 0 CHADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC001258162172 1128878036 /nfs/dbraw/zinc/87/80/36/1128878036.db2.gz IHTDNTAGMXLGCZ-BPKGMFCQSA-N 2 1 266.473 3.520 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cc2c(s1)CCC2 ZINC000414171242 1119925867 /nfs/dbraw/zinc/92/58/67/1119925867.db2.gz CWJXUXJMGQZPCL-UONOGXRCSA-N 2 1 292.492 3.619 20 0 CHADMP CCC[N@@H+](CCCc1cncn1C)CC1CCCCC1 ZINC000574924378 1119928981 /nfs/dbraw/zinc/92/89/81/1119928981.db2.gz INDFMZXXDLQXOL-UHFFFAOYSA-N 2 1 277.456 3.645 20 0 CHADMP CCC[N@H+](CCCc1c[nH+]cn1C)CC1CCCCC1 ZINC000574924378 1119928984 /nfs/dbraw/zinc/92/89/84/1119928984.db2.gz INDFMZXXDLQXOL-UHFFFAOYSA-N 2 1 277.456 3.645 20 0 CHADMP CCC[N@@H+](CCCc1c[nH+]cn1C)CC1CCCCC1 ZINC000574924378 1119928987 /nfs/dbraw/zinc/92/89/87/1119928987.db2.gz INDFMZXXDLQXOL-UHFFFAOYSA-N 2 1 277.456 3.645 20 0 CHADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414198943 1119934908 /nfs/dbraw/zinc/93/49/08/1119934908.db2.gz XADYARSRZFMWRS-IXDOHACOSA-N 2 1 266.473 3.523 20 0 CHADMP Cc1ccc([C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C2CCC2)o1 ZINC000414202008 1119936560 /nfs/dbraw/zinc/93/65/60/1119936560.db2.gz YLIMKQANMUQKTO-MAUKXSAKSA-N 2 1 290.451 3.751 20 0 CHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC2(C1)CCCCC2 ZINC000472588571 1119988002 /nfs/dbraw/zinc/98/80/02/1119988002.db2.gz KPDUSKBSTHTEBT-INIZCTEOSA-N 2 1 264.457 3.517 20 0 CHADMP FC1CCC(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000647553135 1120010302 /nfs/dbraw/zinc/01/03/02/1120010302.db2.gz BPWFFMGKQLOVKJ-SYNTWQANSA-N 2 1 290.426 3.598 20 0 CHADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H](C)CC1)[NH+]1CCCC1 ZINC000086880521 1120035396 /nfs/dbraw/zinc/03/53/96/1120035396.db2.gz NJRLIDUZTQSCCK-ZACQAIPSSA-N 2 1 266.473 3.665 20 0 CHADMP CCC(C)(C)C1CCC([N@H+]2CCC[C@H](C[NH2+]C)C2)CC1 ZINC000040591843 1120067118 /nfs/dbraw/zinc/06/71/18/1120067118.db2.gz DGLYTSCJMMSNBX-KLAILNCOSA-N 2 1 280.500 3.913 20 0 CHADMP CCC(C)(C)C1CCC([N@H+]2CCC[C@@H](C[NH2+]C)C2)CC1 ZINC000040591845 1120070026 /nfs/dbraw/zinc/07/00/26/1120070026.db2.gz DGLYTSCJMMSNBX-GTPINHCMSA-N 2 1 280.500 3.913 20 0 CHADMP C[NH+](C)CCC[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000151963382 1120093969 /nfs/dbraw/zinc/09/39/69/1120093969.db2.gz VKZNVQPSDVBJBK-CYBMUJFWSA-N 2 1 287.234 3.522 20 0 CHADMP CC(C)[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000624121935 1120101161 /nfs/dbraw/zinc/10/11/61/1120101161.db2.gz GGPKTOFOVJGJQC-WMZOPIPTSA-N 2 1 274.452 3.705 20 0 CHADMP C[C@H](c1cccc(F)c1)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000472774021 1120171617 /nfs/dbraw/zinc/17/16/17/1120171617.db2.gz RKJABCCTQNBIJL-PBHICJAKSA-N 2 1 278.415 3.693 20 0 CHADMP C[C@H](c1cccc(F)c1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000472774021 1120171619 /nfs/dbraw/zinc/17/16/19/1120171619.db2.gz RKJABCCTQNBIJL-PBHICJAKSA-N 2 1 278.415 3.693 20 0 CHADMP C[C@H](c1cccc(F)c1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000472774021 1120171621 /nfs/dbraw/zinc/17/16/21/1120171621.db2.gz RKJABCCTQNBIJL-PBHICJAKSA-N 2 1 278.415 3.693 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)C2CCC(F)(F)CC2)C1 ZINC001116755523 1120208102 /nfs/dbraw/zinc/20/81/02/1120208102.db2.gz LIWLDLISDSKKPT-ZIAGYGMSSA-N 2 1 288.426 3.522 20 0 CHADMP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000472851996 1120210329 /nfs/dbraw/zinc/21/03/29/1120210329.db2.gz CUPDJWVRIFNYDI-ZFWWWQNUSA-N 2 1 296.405 3.832 20 0 CHADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000472851996 1120210332 /nfs/dbraw/zinc/21/03/32/1120210332.db2.gz CUPDJWVRIFNYDI-ZFWWWQNUSA-N 2 1 296.405 3.832 20 0 CHADMP C[C@@H](c1ccc(F)c(F)c1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000472851996 1120210337 /nfs/dbraw/zinc/21/03/37/1120210337.db2.gz CUPDJWVRIFNYDI-ZFWWWQNUSA-N 2 1 296.405 3.832 20 0 CHADMP C[C@@H](c1ccc(F)c(F)c1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000472851996 1120210342 /nfs/dbraw/zinc/21/03/42/1120210342.db2.gz CUPDJWVRIFNYDI-ZFWWWQNUSA-N 2 1 296.405 3.832 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2CC3CCC2CC3)C1 ZINC000394428742 1120217550 /nfs/dbraw/zinc/21/75/50/1120217550.db2.gz AUOIFVURPWVKFV-BSQPYMJMSA-N 2 1 278.484 3.521 20 0 CHADMP CC[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)s2)CC[C@@H]1[NH3+] ZINC000166186251 1120233212 /nfs/dbraw/zinc/23/32/12/1120233212.db2.gz LTAYBIVQGPLEFL-OCCSQVGLSA-N 2 1 280.481 3.605 20 0 CHADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000041088729 1120254684 /nfs/dbraw/zinc/25/46/84/1120254684.db2.gz TZYRBSXRNQDPBR-SZMVWBNQSA-N 2 1 272.436 3.520 20 0 CHADMP c1ccc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)ccc2c1 ZINC000106868583 1120279323 /nfs/dbraw/zinc/27/93/23/1120279323.db2.gz HQPWEVSQXKWWOS-RTBURBONSA-N 2 1 280.415 3.556 20 0 CHADMP c1ccc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)ccc2c1 ZINC000106868585 1120280038 /nfs/dbraw/zinc/28/00/38/1120280038.db2.gz HQPWEVSQXKWWOS-RBUKOAKNSA-N 2 1 280.415 3.556 20 0 CHADMP c1ccc2c(c1)CC[C@H]2CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000659947136 1120302515 /nfs/dbraw/zinc/30/25/15/1120302515.db2.gz JIZIDXCSYDUTEJ-HKUYNNGSSA-N 2 1 298.474 3.524 20 0 CHADMP CC(C)(C)CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000499556132 1120321222 /nfs/dbraw/zinc/32/12/22/1120321222.db2.gz YQCJHSPDWMHBBZ-DOTOQJQBSA-N 2 1 278.484 3.761 20 0 CHADMP CC(C)(C)CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000499556132 1120321229 /nfs/dbraw/zinc/32/12/29/1120321229.db2.gz YQCJHSPDWMHBBZ-DOTOQJQBSA-N 2 1 278.484 3.761 20 0 CHADMP CC(C)(C)CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000499556132 1120321234 /nfs/dbraw/zinc/32/12/34/1120321234.db2.gz YQCJHSPDWMHBBZ-DOTOQJQBSA-N 2 1 278.484 3.761 20 0 CHADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C(C)C)c2)C1 ZINC000659989312 1120328466 /nfs/dbraw/zinc/32/84/66/1120328466.db2.gz IHAODOZBSBPLBL-KRWDZBQOSA-N 2 1 274.452 3.584 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C(C)C)c2)C1 ZINC000659989312 1120328471 /nfs/dbraw/zinc/32/84/71/1120328471.db2.gz IHAODOZBSBPLBL-KRWDZBQOSA-N 2 1 274.452 3.584 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(C(C)C)c2)C1 ZINC000659989312 1120328477 /nfs/dbraw/zinc/32/84/77/1120328477.db2.gz IHAODOZBSBPLBL-KRWDZBQOSA-N 2 1 274.452 3.584 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(C(C)C)c2)C1 ZINC000659989312 1120328482 /nfs/dbraw/zinc/32/84/82/1120328482.db2.gz IHAODOZBSBPLBL-KRWDZBQOSA-N 2 1 274.452 3.584 20 0 CHADMP CC1(C)CC[C@H]1[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309692635 1120346292 /nfs/dbraw/zinc/34/62/92/1120346292.db2.gz DFTGHQDHFSMDRK-IEBWSBKVSA-N 2 1 286.463 3.677 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000393624310 1120356699 /nfs/dbraw/zinc/35/66/99/1120356699.db2.gz GVFAJENXAZOYGQ-MJGOQNOKSA-N 2 1 286.463 3.677 20 0 CHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC000499631657 1120373394 /nfs/dbraw/zinc/37/33/94/1120373394.db2.gz COAOCOPXXRLLOK-SJORKVTESA-N 2 1 298.515 3.539 20 0 CHADMP CC(C)C[C@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000473014733 1120385451 /nfs/dbraw/zinc/38/54/51/1120385451.db2.gz JAEIIVYUAZQSAD-IAGOWNOFSA-N 2 1 266.473 3.619 20 0 CHADMP CC(C)C[C@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000473014733 1120385455 /nfs/dbraw/zinc/38/54/55/1120385455.db2.gz JAEIIVYUAZQSAD-IAGOWNOFSA-N 2 1 266.473 3.619 20 0 CHADMP CC(C)C[C@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000473014733 1120385459 /nfs/dbraw/zinc/38/54/59/1120385459.db2.gz JAEIIVYUAZQSAD-IAGOWNOFSA-N 2 1 266.473 3.619 20 0 CHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)CC)[C@@H](C)C1 ZINC000682536428 1120418611 /nfs/dbraw/zinc/41/86/11/1120418611.db2.gz SSZKUJYGUNLSBV-DLBZAZTESA-N 2 1 298.515 3.539 20 0 CHADMP CCC[C@H](C)CCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000629548181 1128915149 /nfs/dbraw/zinc/91/51/49/1128915149.db2.gz MMWXCMNNBMREEL-WNRNVDISSA-N 2 1 296.499 3.564 20 0 CHADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417334420 1120429841 /nfs/dbraw/zinc/42/98/41/1120429841.db2.gz ZPJUEYXRGOSLDG-QLFBSQMISA-N 2 1 292.492 3.704 20 0 CHADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417360215 1120436309 /nfs/dbraw/zinc/43/63/09/1120436309.db2.gz JQRUTOQIURNWBS-CWRNSKLLSA-N 2 1 292.492 3.704 20 0 CHADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc2ccccc21 ZINC000584772819 1120443294 /nfs/dbraw/zinc/44/32/94/1120443294.db2.gz IXFJJEVPKMKZRK-KXBFYZLASA-N 2 1 282.431 3.612 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc2ccccc21 ZINC000584772819 1120443297 /nfs/dbraw/zinc/44/32/97/1120443297.db2.gz IXFJJEVPKMKZRK-KXBFYZLASA-N 2 1 282.431 3.612 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc2ccccc21 ZINC000584772819 1120443298 /nfs/dbraw/zinc/44/32/98/1120443298.db2.gz IXFJJEVPKMKZRK-KXBFYZLASA-N 2 1 282.431 3.612 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc2ccccc21 ZINC000584772819 1120443300 /nfs/dbraw/zinc/44/33/00/1120443300.db2.gz IXFJJEVPKMKZRK-KXBFYZLASA-N 2 1 282.431 3.612 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCN[C@@H]1CCc2ccc(F)cc21 ZINC000479889476 1120488969 /nfs/dbraw/zinc/48/89/69/1120488969.db2.gz SFBNAWXRUQDQDU-KBXCAEBGSA-N 2 1 290.426 3.667 20 0 CHADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000479889476 1120488972 /nfs/dbraw/zinc/48/89/72/1120488972.db2.gz SFBNAWXRUQDQDU-KBXCAEBGSA-N 2 1 290.426 3.667 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000479889476 1120488973 /nfs/dbraw/zinc/48/89/73/1120488973.db2.gz SFBNAWXRUQDQDU-KBXCAEBGSA-N 2 1 290.426 3.667 20 0 CHADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000657614529 1120501262 /nfs/dbraw/zinc/50/12/62/1120501262.db2.gz DQOJPGLBBWUUCZ-RKVPGOIHSA-N 2 1 290.426 3.739 20 0 CHADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000657614529 1120501266 /nfs/dbraw/zinc/50/12/66/1120501266.db2.gz DQOJPGLBBWUUCZ-RKVPGOIHSA-N 2 1 290.426 3.739 20 0 CHADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCCc2ccc(F)cc21 ZINC000499938084 1120555171 /nfs/dbraw/zinc/55/51/71/1120555171.db2.gz XAIUXWSBHQRMFS-SFHVURJKSA-N 2 1 290.426 3.621 20 0 CHADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1c1cccc(OC)c1 ZINC000193462084 1120571494 /nfs/dbraw/zinc/57/14/94/1120571494.db2.gz LPWFBXAIVAWUNN-SFHVURJKSA-N 2 1 290.451 3.564 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1c1cccc(OC)c1 ZINC000193462084 1120571496 /nfs/dbraw/zinc/57/14/96/1120571496.db2.gz LPWFBXAIVAWUNN-SFHVURJKSA-N 2 1 290.451 3.564 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC[C@@H]2CCc3ccccc32)CC1 ZINC000660416645 1120590568 /nfs/dbraw/zinc/59/05/68/1120590568.db2.gz VEYCAQBLNUBJAH-ZWKOTPCHSA-N 2 1 286.463 3.523 20 0 CHADMP C[C@H]1CCC[N@H+]1Cc1cccc(-c2cccc3c2C[NH2+]C3)c1 ZINC000629702519 1128927751 /nfs/dbraw/zinc/92/77/51/1128927751.db2.gz OWUKTLUXUWLKLW-HNNXBMFYSA-N 2 1 292.426 3.941 20 0 CHADMP C1CCC2(C1)CCC([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000253362671 1128928521 /nfs/dbraw/zinc/92/85/21/1128928521.db2.gz HEUUHRQQBMPGMF-IRXDYDNUSA-N 2 1 276.468 3.706 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429039543 1120626017 /nfs/dbraw/zinc/62/60/17/1120626017.db2.gz ILABLOHDDVEIDQ-OXQOHEQNSA-N 2 1 294.442 3.928 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429039543 1120626020 /nfs/dbraw/zinc/62/60/20/1120626020.db2.gz ILABLOHDDVEIDQ-OXQOHEQNSA-N 2 1 294.442 3.928 20 0 CHADMP C[N@@H+](CC[C@H]1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000660542453 1120653520 /nfs/dbraw/zinc/65/35/20/1120653520.db2.gz QWVFDSPKVPTSRY-KAKFPZCNSA-N 2 1 298.474 3.664 20 0 CHADMP C[NH+](CC[C@H]1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000660542453 1120653523 /nfs/dbraw/zinc/65/35/23/1120653523.db2.gz QWVFDSPKVPTSRY-KAKFPZCNSA-N 2 1 298.474 3.664 20 0 CHADMP C[NH+](CC[C@H]1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000660542453 1120653525 /nfs/dbraw/zinc/65/35/25/1120653525.db2.gz QWVFDSPKVPTSRY-KAKFPZCNSA-N 2 1 298.474 3.664 20 0 CHADMP CC[C@@H](C)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821500 1128932465 /nfs/dbraw/zinc/93/24/65/1128932465.db2.gz BJLBSBRYGHZCNO-MRXNPFEDSA-N 2 1 289.467 3.666 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c(C)c1 ZINC000228081378 1120761827 /nfs/dbraw/zinc/76/18/27/1120761827.db2.gz NQCFDCDLFOCIMX-LJQANCHMSA-N 2 1 286.463 3.577 20 0 CHADMP Cc1ccc2[nH]c(C[NH+](C)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2c1C ZINC000473133238 1120794697 /nfs/dbraw/zinc/79/46/97/1120794697.db2.gz QSTOXGIBAWVCBJ-YOEHRIQHSA-N 2 1 299.462 3.699 20 0 CHADMP Cc1ccc2[nH]c(C[NH+](C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2c1C ZINC000473133238 1120794699 /nfs/dbraw/zinc/79/46/99/1120794699.db2.gz QSTOXGIBAWVCBJ-YOEHRIQHSA-N 2 1 299.462 3.699 20 0 CHADMP Cc1ccc2[nH]c(C[N@@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)cc2c1C ZINC000473133238 1120794701 /nfs/dbraw/zinc/79/47/01/1120794701.db2.gz QSTOXGIBAWVCBJ-YOEHRIQHSA-N 2 1 299.462 3.699 20 0 CHADMP Cc1ccc2[nH]c(C[N@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)cc2c1C ZINC000473133238 1120794704 /nfs/dbraw/zinc/79/47/04/1120794704.db2.gz QSTOXGIBAWVCBJ-YOEHRIQHSA-N 2 1 299.462 3.699 20 0 CHADMP Cc1cccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000040500694 1120837485 /nfs/dbraw/zinc/83/74/85/1120837485.db2.gz LREXIOXDTSPTLM-YTQUADARSA-N 2 1 286.463 3.533 20 0 CHADMP Cc1cccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000040500694 1120837490 /nfs/dbraw/zinc/83/74/90/1120837490.db2.gz LREXIOXDTSPTLM-YTQUADARSA-N 2 1 286.463 3.533 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000164673304 1120848551 /nfs/dbraw/zinc/84/85/51/1120848551.db2.gz LKRZYOXCUKWCNB-SFHVURJKSA-N 2 1 283.419 3.557 20 0 CHADMP CCc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C(C)C)cc1 ZINC000054240351 1120855443 /nfs/dbraw/zinc/85/54/43/1120855443.db2.gz MFMCUCWOJPXGHN-HKUYNNGSSA-N 2 1 288.479 3.878 20 0 CHADMP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000054241269 1120855452 /nfs/dbraw/zinc/85/54/52/1120855452.db2.gz MCPRSQWOHOGIAC-PBHICJAKSA-N 2 1 294.870 3.969 20 0 CHADMP CC(C)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000054241267 1120855467 /nfs/dbraw/zinc/85/54/67/1120855467.db2.gz MCPRSQWOHOGIAC-YOEHRIQHSA-N 2 1 294.870 3.969 20 0 CHADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)c2c(C)cc(C)cc2C)C1 ZINC000251016873 1120883170 /nfs/dbraw/zinc/88/31/70/1120883170.db2.gz HGZNRVQOEGSORY-SJORKVTESA-N 2 1 274.452 3.604 20 0 CHADMP CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000221668745 1120898787 /nfs/dbraw/zinc/89/87/87/1120898787.db2.gz KGFZNDNJLYSHLX-RLFYNMQTSA-N 2 1 274.452 3.801 20 0 CHADMP CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000221668745 1120898790 /nfs/dbraw/zinc/89/87/90/1120898790.db2.gz KGFZNDNJLYSHLX-RLFYNMQTSA-N 2 1 274.452 3.801 20 0 CHADMP c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662263530 1120913248 /nfs/dbraw/zinc/91/32/48/1120913248.db2.gz CBCJCLKQFMKPME-GGPKGHCWSA-N 2 1 298.474 3.571 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000221919531 1120937882 /nfs/dbraw/zinc/93/78/82/1120937882.db2.gz SLOXSOYUUNCDKS-GFCCVEGCSA-N 2 1 286.822 3.860 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000221919531 1120937886 /nfs/dbraw/zinc/93/78/86/1120937886.db2.gz SLOXSOYUUNCDKS-GFCCVEGCSA-N 2 1 286.822 3.860 20 0 CHADMP c1cc2cc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)ccc2o1 ZINC000663344261 1120940978 /nfs/dbraw/zinc/94/09/78/1120940978.db2.gz QKQHUKMTWQDKQF-KRWDZBQOSA-N 2 1 298.430 3.644 20 0 CHADMP CCc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663346914 1120941300 /nfs/dbraw/zinc/94/13/00/1120941300.db2.gz XOHRJUSLBJACHU-OAHLLOKOSA-N 2 1 292.492 3.522 20 0 CHADMP CCc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663346913 1120941436 /nfs/dbraw/zinc/94/14/36/1120941436.db2.gz XOHRJUSLBJACHU-HNNXBMFYSA-N 2 1 292.492 3.522 20 0 CHADMP Clc1ccccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346608 1120941606 /nfs/dbraw/zinc/94/16/06/1120941606.db2.gz ATTARNOWCQJFDS-HNNXBMFYSA-N 2 1 292.854 3.552 20 0 CHADMP Clc1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346608 1120941610 /nfs/dbraw/zinc/94/16/10/1120941610.db2.gz ATTARNOWCQJFDS-HNNXBMFYSA-N 2 1 292.854 3.552 20 0 CHADMP Clc1sccc1CNC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344816 1120942077 /nfs/dbraw/zinc/94/20/77/1120942077.db2.gz YBAUGEOCNOOXAQ-CYBMUJFWSA-N 2 1 298.883 3.613 20 0 CHADMP Clc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347794 1120942482 /nfs/dbraw/zinc/94/24/82/1120942482.db2.gz VUGOFVVPRLLTTA-INIZCTEOSA-N 2 1 292.854 3.552 20 0 CHADMP CC(C)C1CC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000390771164 1120977454 /nfs/dbraw/zinc/97/74/54/1120977454.db2.gz JLXIDGHQLIWNBV-VIQWUECVSA-N 2 1 286.463 3.533 20 0 CHADMP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3F)c2ccccc21 ZINC000925779695 1120991730 /nfs/dbraw/zinc/99/17/30/1120991730.db2.gz ONWHCKLXATXCDK-RCCFBDPRSA-N 2 1 282.362 3.547 20 0 CHADMP c1ccc2c(c1)sc1c2cccc1C[N@H+]1CCC[NH2+]CC1 ZINC001204667377 1120998437 /nfs/dbraw/zinc/99/84/37/1120998437.db2.gz JUOPCICTUSOOTE-UHFFFAOYSA-N 2 1 296.439 3.850 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC2(CCCC2)C1 ZINC001167826173 1121001058 /nfs/dbraw/zinc/00/10/58/1121001058.db2.gz OAJLYAXTZYBAPP-INIZCTEOSA-N 2 1 266.473 3.763 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC001167826922 1121001614 /nfs/dbraw/zinc/00/16/14/1121001614.db2.gz RZSHLYIZMBNYIF-HKUYNNGSSA-N 2 1 288.479 3.986 20 0 CHADMP c1ccc([C@H](CC2CCC2)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000344031203 1121057918 /nfs/dbraw/zinc/05/79/18/1121057918.db2.gz GLXGFFQXZHOLRG-XLIONFOSSA-N 2 1 298.474 3.992 20 0 CHADMP C([NH2+][C@H]1CCCSCC1)[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000658005084 1121095697 /nfs/dbraw/zinc/09/56/97/1121095697.db2.gz ZSYXHFPBUTXCEJ-RDJZCZTQSA-N 2 1 296.524 3.659 20 0 CHADMP C([NH2+][C@H]1CCCSCC1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000658005077 1121096410 /nfs/dbraw/zinc/09/64/10/1121096410.db2.gz ZSYXHFPBUTXCEJ-DOTOQJQBSA-N 2 1 296.524 3.659 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001279268281 1121132511 /nfs/dbraw/zinc/13/25/11/1121132511.db2.gz ABKOZCGRYCHVMY-IAGOWNOFSA-N 2 1 290.495 3.763 20 0 CHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]CC2(C)CCC2)CC1 ZINC000434772021 1121169288 /nfs/dbraw/zinc/16/92/88/1121169288.db2.gz FAMHKMYUWIHKJS-INIZCTEOSA-N 2 1 286.463 3.992 20 0 CHADMP C[N@@H+]1CCC[C@H](C[NH2+]CC2(C)CCC2)[C@H]1c1cccs1 ZINC000434765648 1121169493 /nfs/dbraw/zinc/16/94/93/1121169493.db2.gz RDGLKEXAGAPKRF-ZBFHGGJFSA-N 2 1 292.492 3.911 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+]CC2(C)CCC2)[C@H]1c1cccs1 ZINC000434765648 1121169497 /nfs/dbraw/zinc/16/94/97/1121169497.db2.gz RDGLKEXAGAPKRF-ZBFHGGJFSA-N 2 1 292.492 3.911 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2sc(C(C)C)nc2C)C1 ZINC000163233984 1121177073 /nfs/dbraw/zinc/17/70/73/1121177073.db2.gz HGLRBDIOBWQSAX-GXTWGEPZSA-N 2 1 295.496 3.567 20 0 CHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@]2(CC=CCC2)C1 ZINC000351593845 1121182197 /nfs/dbraw/zinc/18/21/97/1121182197.db2.gz FJJZXDPNJJNYLU-ZWKOTPCHSA-N 2 1 276.468 3.683 20 0 CHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000351593845 1121182201 /nfs/dbraw/zinc/18/22/01/1121182201.db2.gz FJJZXDPNJJNYLU-ZWKOTPCHSA-N 2 1 276.468 3.683 20 0 CHADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1csc2ccccc12 ZINC000063192033 1121200941 /nfs/dbraw/zinc/20/09/41/1121200941.db2.gz QISBTXOJSAKWLX-SWLSCSKDSA-N 2 1 274.433 3.603 20 0 CHADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1csc2ccccc12 ZINC000063192033 1121200948 /nfs/dbraw/zinc/20/09/48/1121200948.db2.gz QISBTXOJSAKWLX-SWLSCSKDSA-N 2 1 274.433 3.603 20 0 CHADMP CCC[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512244746 1121221792 /nfs/dbraw/zinc/22/17/92/1121221792.db2.gz OTXXSXFFNRHUGZ-MJGOQNOKSA-N 2 1 286.463 3.773 20 0 CHADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+]([C@H]4C=CCCC4)C3)C2)cc1 ZINC000512245952 1121224671 /nfs/dbraw/zinc/22/46/71/1121224671.db2.gz UDSZPGWSHSKQRB-VQTJNVASSA-N 2 1 296.458 3.693 20 0 CHADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+]([C@H]4C=CCCC4)C3)C2)cc1 ZINC000512245952 1121224675 /nfs/dbraw/zinc/22/46/75/1121224675.db2.gz UDSZPGWSHSKQRB-VQTJNVASSA-N 2 1 296.458 3.693 20 0 CHADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+]([C@H]4C=CCCC4)C3)C2)cc1 ZINC000512245952 1121224680 /nfs/dbraw/zinc/22/46/80/1121224680.db2.gz UDSZPGWSHSKQRB-VQTJNVASSA-N 2 1 296.458 3.693 20 0 CHADMP C[C@@H](Cc1ccsc1)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658228329 1121234615 /nfs/dbraw/zinc/23/46/15/1121234615.db2.gz HTUPMRUPTKQLRR-HOCLYGCPSA-N 2 1 292.492 3.676 20 0 CHADMP C[C@@H](Cc1ccsc1)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658228329 1121234621 /nfs/dbraw/zinc/23/46/21/1121234621.db2.gz HTUPMRUPTKQLRR-HOCLYGCPSA-N 2 1 292.492 3.676 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2C[C@H]4C[C@H]4C2)C3)cc1 ZINC001167893333 1121244445 /nfs/dbraw/zinc/24/44/45/1121244445.db2.gz GFWTVRXXJKAKSZ-UIQSMRFCSA-N 2 1 296.458 3.570 20 0 CHADMP Cc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000658340361 1121317206 /nfs/dbraw/zinc/31/72/06/1121317206.db2.gz NZQRGYXTRHOLID-IBGZPJMESA-N 2 1 284.447 3.589 20 0 CHADMP C[C@@H]1CC[C@@H]([NH+](C)C/C=C/C[N@H+](C)[C@H]2CC[C@@H](C)C2)C1 ZINC000429580845 1121342423 /nfs/dbraw/zinc/34/24/23/1121342423.db2.gz RGOLOUYKFMHFOY-ONQYKWIUSA-N 2 1 278.484 3.783 20 0 CHADMP C[C@@H]1CC[C@@H]([N@@H+](C)C/C=C/C[NH+](C)[C@H]2CC[C@@H](C)C2)C1 ZINC000429580845 1121342432 /nfs/dbraw/zinc/34/24/32/1121342432.db2.gz RGOLOUYKFMHFOY-ONQYKWIUSA-N 2 1 278.484 3.783 20 0 CHADMP C[C@@H]1CC[C@@H]([N@H+](C)C/C=C/C[NH+](C)[C@H]2CC[C@@H](C)C2)C1 ZINC000429580845 1121342442 /nfs/dbraw/zinc/34/24/42/1121342442.db2.gz RGOLOUYKFMHFOY-ONQYKWIUSA-N 2 1 278.484 3.783 20 0 CHADMP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000675752505 1121350848 /nfs/dbraw/zinc/35/08/48/1121350848.db2.gz XACZZJFDWSMLLI-MUGJNUQGSA-N 2 1 298.474 3.614 20 0 CHADMP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000675779204 1121354699 /nfs/dbraw/zinc/35/46/99/1121354699.db2.gz RNFZWAMKDGQNJI-MDZRGWNJSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000675779204 1121354708 /nfs/dbraw/zinc/35/47/08/1121354708.db2.gz RNFZWAMKDGQNJI-MDZRGWNJSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000675786797 1121362523 /nfs/dbraw/zinc/36/25/23/1121362523.db2.gz DNNHNFPYKQVMGE-FUHWJXTLSA-N 2 1 288.479 3.923 20 0 CHADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCCCCC[NH3+] ZINC000710830146 1121476008 /nfs/dbraw/zinc/47/60/08/1121476008.db2.gz QWRYCQYCKBZIRT-CQSZACIVSA-N 2 1 282.859 3.722 20 0 CHADMP C[C@H]1CCC[C@H](CC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000512581239 1121482483 /nfs/dbraw/zinc/48/24/83/1121482483.db2.gz GPYAEPRGLHSJAH-IIQAOJFUSA-N 2 1 278.484 3.760 20 0 CHADMP C[C@H]1CCC[C@H](CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000512581239 1121482487 /nfs/dbraw/zinc/48/24/87/1121482487.db2.gz GPYAEPRGLHSJAH-IIQAOJFUSA-N 2 1 278.484 3.760 20 0 CHADMP C[C@H]1CCC[C@H](CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000512581239 1121482492 /nfs/dbraw/zinc/48/24/92/1121482492.db2.gz GPYAEPRGLHSJAH-IIQAOJFUSA-N 2 1 278.484 3.760 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCCC2)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167916182 1121519162 /nfs/dbraw/zinc/51/91/62/1121519162.db2.gz GMTASEYHBODDOC-BSHDOZJQSA-N 2 1 290.495 3.937 20 0 CHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](c2ccccc2)C1 ZINC000433044469 1121534274 /nfs/dbraw/zinc/53/42/74/1121534274.db2.gz NEBSVNFBEYWCPW-MOPGFXCFSA-N 2 1 286.463 3.740 20 0 CHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433044469 1121534279 /nfs/dbraw/zinc/53/42/79/1121534279.db2.gz NEBSVNFBEYWCPW-MOPGFXCFSA-N 2 1 286.463 3.740 20 0 CHADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433044469 1121534282 /nfs/dbraw/zinc/53/42/82/1121534282.db2.gz NEBSVNFBEYWCPW-MOPGFXCFSA-N 2 1 286.463 3.740 20 0 CHADMP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CCC[NH2+]C1CC1 ZINC000923370975 1121562235 /nfs/dbraw/zinc/56/22/35/1121562235.db2.gz NBEXPEHKWFSDPS-CYBMUJFWSA-N 2 1 295.496 3.710 20 0 CHADMP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CCC[NH2+]C1CC1 ZINC000923370975 1121562241 /nfs/dbraw/zinc/56/22/41/1121562241.db2.gz NBEXPEHKWFSDPS-CYBMUJFWSA-N 2 1 295.496 3.710 20 0 CHADMP c1ccc(C23CC(C2)C[N@@H+]3CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000923396166 1121566547 /nfs/dbraw/zinc/56/65/47/1121566547.db2.gz AQARUNFIWXDYLN-XJFWBRLCSA-N 2 1 296.458 3.528 20 0 CHADMP C[C@H](C[N@H+](C)CCCc1c[nH+]cn1C)C1CCCCC1 ZINC000625987782 1121567191 /nfs/dbraw/zinc/56/71/91/1121567191.db2.gz BZYKHWKJRIQMSA-OAHLLOKOSA-N 2 1 277.456 3.501 20 0 CHADMP C[C@H](C[N@@H+](C)CCCc1c[nH+]cn1C)C1CCCCC1 ZINC000625987782 1121567198 /nfs/dbraw/zinc/56/71/98/1121567198.db2.gz BZYKHWKJRIQMSA-OAHLLOKOSA-N 2 1 277.456 3.501 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000509798655 1121582781 /nfs/dbraw/zinc/58/27/81/1121582781.db2.gz JBOWCNHGANKDSM-WLYUNCDWSA-N 2 1 294.870 3.906 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1(C)C ZINC001177148327 1121715397 /nfs/dbraw/zinc/71/53/97/1121715397.db2.gz DNBUBJUDRJWPJB-TWMKSMIVSA-N 2 1 278.484 3.808 20 0 CHADMP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC[C@@H](OC)CC1)CC(C)C ZINC001177209258 1121716075 /nfs/dbraw/zinc/71/60/75/1121716075.db2.gz KQPHMGMLVRTLBL-FGTMMUONSA-N 2 1 298.515 3.680 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+]1CCC[C@](C)([NH3+])C1 ZINC001204940483 1121762544 /nfs/dbraw/zinc/76/25/44/1121762544.db2.gz XZOQHMMNFOKHQL-INIZCTEOSA-N 2 1 274.433 3.523 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+]1CCC[C@](C)([NH3+])C1 ZINC001204940483 1121762547 /nfs/dbraw/zinc/76/25/47/1121762547.db2.gz XZOQHMMNFOKHQL-INIZCTEOSA-N 2 1 274.433 3.523 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC001178855788 1121822302 /nfs/dbraw/zinc/82/23/02/1121822302.db2.gz PJQWVCNOTHAZSH-KKUMJFAQSA-N 2 1 254.462 3.521 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC001178855788 1121822311 /nfs/dbraw/zinc/82/23/11/1121822311.db2.gz PJQWVCNOTHAZSH-KKUMJFAQSA-N 2 1 254.462 3.521 20 0 CHADMP Cc1oc(C(C)(C)C)cc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC001179159583 1121855498 /nfs/dbraw/zinc/85/54/98/1121855498.db2.gz OMXJAINODGFRIY-OAHLLOKOSA-N 2 1 292.467 3.707 20 0 CHADMP Cc1oc(C(C)(C)C)cc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC001179159583 1121855511 /nfs/dbraw/zinc/85/55/11/1121855511.db2.gz OMXJAINODGFRIY-OAHLLOKOSA-N 2 1 292.467 3.707 20 0 CHADMP Cc1oc(C(C)(C)C)cc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC001179159582 1121856622 /nfs/dbraw/zinc/85/66/22/1121856622.db2.gz OMXJAINODGFRIY-HNNXBMFYSA-N 2 1 292.467 3.707 20 0 CHADMP Cc1oc(C(C)(C)C)cc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC001179159582 1121856630 /nfs/dbraw/zinc/85/66/30/1121856630.db2.gz OMXJAINODGFRIY-HNNXBMFYSA-N 2 1 292.467 3.707 20 0 CHADMP CCC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cc(C)ccn1 ZINC000631636306 1129015733 /nfs/dbraw/zinc/01/57/33/1129015733.db2.gz CFXBUKGPQYSKBP-DLBZAZTESA-N 2 1 289.467 3.553 20 0 CHADMP c1ccc(-c2ccc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)cc2)cc1 ZINC000262507009 1129018744 /nfs/dbraw/zinc/01/87/44/1129018744.db2.gz MPTJBTVBHLPWRM-HXUWFJFHSA-N 2 1 292.426 3.539 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC001179905864 1121928904 /nfs/dbraw/zinc/92/89/04/1121928904.db2.gz OHEHIQBYFXWNOJ-TVFCKZIOSA-N 2 1 280.500 3.865 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC001179905864 1121928911 /nfs/dbraw/zinc/92/89/11/1121928911.db2.gz OHEHIQBYFXWNOJ-TVFCKZIOSA-N 2 1 280.500 3.865 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC001179905864 1121928919 /nfs/dbraw/zinc/92/89/19/1121928919.db2.gz OHEHIQBYFXWNOJ-TVFCKZIOSA-N 2 1 280.500 3.865 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C3CC3)cc2)[C@H](C)C1 ZINC001179906653 1121930290 /nfs/dbraw/zinc/93/02/90/1121930290.db2.gz ZLGOKHIDONMNLM-DNVCBOLYSA-N 2 1 286.463 3.726 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C3CC3)cc2)[C@H](C)C1 ZINC001179906653 1121930296 /nfs/dbraw/zinc/93/02/96/1121930296.db2.gz ZLGOKHIDONMNLM-DNVCBOLYSA-N 2 1 286.463 3.726 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C3CC3)cc2)[C@H](C)C1 ZINC001179906653 1121930304 /nfs/dbraw/zinc/93/03/04/1121930304.db2.gz ZLGOKHIDONMNLM-DNVCBOLYSA-N 2 1 286.463 3.726 20 0 CHADMP c1ccc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)cc1 ZINC000262563027 1129019232 /nfs/dbraw/zinc/01/92/32/1129019232.db2.gz VXUCTIGHABBBJN-WOJBJXKFSA-N 2 1 292.426 3.537 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC001180058435 1121943509 /nfs/dbraw/zinc/94/35/09/1121943509.db2.gz RACNMFAEOHRJDP-IAGOWNOFSA-N 2 1 280.500 3.867 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)CCSC2CCCCC2)CC1 ZINC000501104174 1121954792 /nfs/dbraw/zinc/95/47/92/1121954792.db2.gz ZIXPRKMOIZMMCE-UHFFFAOYSA-N 2 1 298.540 3.857 20 0 CHADMP Cc1ccc([C@H]2CCCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420295201 1121995909 /nfs/dbraw/zinc/99/59/09/1121995909.db2.gz BWIQQNSKLVGAMH-FUHWJXTLSA-N 2 1 272.436 3.522 20 0 CHADMP c1c2ccccc2[nH]c1[C@H]1CCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420314695 1122000269 /nfs/dbraw/zinc/00/02/69/1122000269.db2.gz ZIRWZCSBVYMODU-HNAYVOBHSA-N 2 1 297.446 3.695 20 0 CHADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420315157 1122000700 /nfs/dbraw/zinc/00/07/00/1122000700.db2.gz ZWDVBGIRMMROCS-GDBMZVCRSA-N 2 1 294.870 3.593 20 0 CHADMP c1ccc([C@@H]2CCCCC[N@@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420315438 1122000748 /nfs/dbraw/zinc/00/07/48/1122000748.db2.gz LUMIUPWSDSGZPB-AEFFLSMTSA-N 2 1 272.436 3.603 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420325080 1122002397 /nfs/dbraw/zinc/00/23/97/1122002397.db2.gz HYJIPWGXXQEZOR-JFIYKMOQSA-N 2 1 290.426 3.598 20 0 CHADMP C[C@@H]([NH3+])C[NH2+][C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000420376749 1122003724 /nfs/dbraw/zinc/00/37/24/1122003724.db2.gz RDDGBYXIMHJTQA-DYVFJYSZSA-N 2 1 288.822 3.561 20 0 CHADMP C[C@@H]([NH3+])C[NH2+][C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000420422761 1122006284 /nfs/dbraw/zinc/00/62/84/1122006284.db2.gz ZNVXOJFWPPEIIX-ABAIWWIYSA-N 2 1 266.816 3.508 20 0 CHADMP C[C@@H](CC1CCC1)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001181275857 1122046883 /nfs/dbraw/zinc/04/68/83/1122046883.db2.gz GOAROGKYOLAULD-YJBOKZPZSA-N 2 1 278.484 3.952 20 0 CHADMP C[N@@H+](CCC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)Cc1ccccc1 ZINC000502254909 1122067373 /nfs/dbraw/zinc/06/73/73/1122067373.db2.gz XBYOFBYBGBKLJR-QRVBRYPASA-N 2 1 286.463 3.677 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccc(C3CC3)c2)C1 ZINC000421320344 1122093722 /nfs/dbraw/zinc/09/37/22/1122093722.db2.gz PNXISFWLJRYXBX-KRWDZBQOSA-N 2 1 286.463 3.728 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000421320344 1122093727 /nfs/dbraw/zinc/09/37/27/1122093727.db2.gz PNXISFWLJRYXBX-KRWDZBQOSA-N 2 1 286.463 3.728 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001182249303 1122124033 /nfs/dbraw/zinc/12/40/33/1122124033.db2.gz FLKDXCOJQPUYQR-GVDBMIGSSA-N 2 1 266.473 3.524 20 0 CHADMP CC[C@@H]1CCCC[C@H]1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001182249305 1122124047 /nfs/dbraw/zinc/12/40/47/1122124047.db2.gz FLKDXCOJQPUYQR-ZACQAIPSSA-N 2 1 266.473 3.524 20 0 CHADMP Cc1ccc(C)c([C@H](C)[N@@H+](C)CC[C@@H]2CCC[NH+]2C)c1 ZINC000502690051 1122133824 /nfs/dbraw/zinc/13/38/24/1122133824.db2.gz PUOOZCVYZRAENL-IRXDYDNUSA-N 2 1 274.452 3.781 20 0 CHADMP Cc1ccc(C)c([C@H](C)[NH+](C)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC000502690051 1122133826 /nfs/dbraw/zinc/13/38/26/1122133826.db2.gz PUOOZCVYZRAENL-IRXDYDNUSA-N 2 1 274.452 3.781 20 0 CHADMP Cc1ccc(C)c([C@H](C)[NH+](C)CC[C@@H]2CCC[N@H+]2C)c1 ZINC000502690051 1122133829 /nfs/dbraw/zinc/13/38/29/1122133829.db2.gz PUOOZCVYZRAENL-IRXDYDNUSA-N 2 1 274.452 3.781 20 0 CHADMP CC(C)C[C@H]1CCCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000502855859 1122152309 /nfs/dbraw/zinc/15/23/09/1122152309.db2.gz LMTWWPHZYIJMHI-DLBZAZTESA-N 2 1 266.473 3.761 20 0 CHADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000502924503 1122158044 /nfs/dbraw/zinc/15/80/44/1122158044.db2.gz DSNIMYPYHQKBMV-ZWKOTPCHSA-N 2 1 290.426 3.837 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000502924503 1122158047 /nfs/dbraw/zinc/15/80/47/1122158047.db2.gz DSNIMYPYHQKBMV-ZWKOTPCHSA-N 2 1 290.426 3.837 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000502924503 1122158050 /nfs/dbraw/zinc/15/80/50/1122158050.db2.gz DSNIMYPYHQKBMV-ZWKOTPCHSA-N 2 1 290.426 3.837 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000502924503 1122158052 /nfs/dbraw/zinc/15/80/52/1122158052.db2.gz DSNIMYPYHQKBMV-ZWKOTPCHSA-N 2 1 290.426 3.837 20 0 CHADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000502924501 1122158348 /nfs/dbraw/zinc/15/83/48/1122158348.db2.gz DSNIMYPYHQKBMV-QZTJIDSGSA-N 2 1 290.426 3.837 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000502924501 1122158352 /nfs/dbraw/zinc/15/83/52/1122158352.db2.gz DSNIMYPYHQKBMV-QZTJIDSGSA-N 2 1 290.426 3.837 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000502924501 1122158355 /nfs/dbraw/zinc/15/83/55/1122158355.db2.gz DSNIMYPYHQKBMV-QZTJIDSGSA-N 2 1 290.426 3.837 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000502924501 1122158358 /nfs/dbraw/zinc/15/83/58/1122158358.db2.gz DSNIMYPYHQKBMV-QZTJIDSGSA-N 2 1 290.426 3.837 20 0 CHADMP CC(C)C[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000503038404 1122163570 /nfs/dbraw/zinc/16/35/70/1122163570.db2.gz VLBLKRAORPMFLC-FUHWJXTLSA-N 2 1 274.452 3.533 20 0 CHADMP Cc1ccc(C)c([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)c1 ZINC000503064538 1122164649 /nfs/dbraw/zinc/16/46/49/1122164649.db2.gz RFWKTOQUBSDCIX-HKUYNNGSSA-N 2 1 286.463 3.925 20 0 CHADMP Cc1ccc(C)c([C@@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)c1 ZINC000503064538 1122164653 /nfs/dbraw/zinc/16/46/53/1122164653.db2.gz RFWKTOQUBSDCIX-HKUYNNGSSA-N 2 1 286.463 3.925 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206541747 1122187490 /nfs/dbraw/zinc/18/74/90/1122187490.db2.gz JCQARCHWQRDOMC-VGOKWCNXSA-N 2 1 266.473 3.964 20 0 CHADMP C[C@]1([NH3+])CCC[N@@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001205256140 1122206795 /nfs/dbraw/zinc/20/67/95/1122206795.db2.gz NOUAMGMVTNKNDC-UAGQMJEPSA-N 2 1 292.854 3.647 20 0 CHADMP CC1=CC[C@H](CC[N@H+]2CCC[C@@](C)([NH3+])CC2)C1(C)C ZINC001205256096 1122207670 /nfs/dbraw/zinc/20/76/70/1122207670.db2.gz MYZUNZNHOYQTQA-NVXWUHKLSA-N 2 1 264.457 3.572 20 0 CHADMP C[C@@H](CC1CCC1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001183379257 1122222231 /nfs/dbraw/zinc/22/22/31/1122222231.db2.gz LCYYOZQAPRMEIS-YJBOKZPZSA-N 2 1 278.484 3.952 20 0 CHADMP C[C@@H](CC1CCC1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001183379257 1122222235 /nfs/dbraw/zinc/22/22/35/1122222235.db2.gz LCYYOZQAPRMEIS-YJBOKZPZSA-N 2 1 278.484 3.952 20 0 CHADMP CC(C)c1ccccc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205280777 1122237738 /nfs/dbraw/zinc/23/77/38/1122237738.db2.gz ITOJHZNMKYIZMW-KRWDZBQOSA-N 2 1 260.425 3.513 20 0 CHADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc3c(F)cccc23)CC1 ZINC001205288671 1122251520 /nfs/dbraw/zinc/25/15/20/1122251520.db2.gz NGXQORWDRQBSJF-SFHVURJKSA-N 2 1 286.394 3.682 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205295749 1122272899 /nfs/dbraw/zinc/27/28/99/1122272899.db2.gz BOAJNTJZHARPFS-PPPANMTLSA-N 2 1 266.473 3.820 20 0 CHADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCC[N@H+](C)C(C)C ZINC000504927255 1122311981 /nfs/dbraw/zinc/31/19/81/1122311981.db2.gz OAWCXXWLDONYLX-NVXWUHKLSA-N 2 1 274.452 3.863 20 0 CHADMP CCC[C@@H](C)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000435056928 1122431088 /nfs/dbraw/zinc/43/10/88/1122431088.db2.gz JBAMPKDDHHUTMG-OAHLLOKOSA-N 2 1 289.467 3.835 20 0 CHADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)C(C)(C)C ZINC000505626733 1122444160 /nfs/dbraw/zinc/44/41/60/1122444160.db2.gz WLWHSNKIUWJDFR-AWEZNQCLSA-N 2 1 254.462 3.665 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000514819947 1122455490 /nfs/dbraw/zinc/45/54/90/1122455490.db2.gz GCTGUFLETKGHLJ-ARFHVFGLSA-N 2 1 272.452 3.615 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000514819947 1122455495 /nfs/dbraw/zinc/45/54/95/1122455495.db2.gz GCTGUFLETKGHLJ-ARFHVFGLSA-N 2 1 272.452 3.615 20 0 CHADMP CC[N@@H+](Cc1cc2cc(F)ccc2o1)[C@H]1CCC[NH2+]CC1 ZINC000435379358 1122461556 /nfs/dbraw/zinc/46/15/56/1122461556.db2.gz BOYKOSKKFQXVBI-HNNXBMFYSA-N 2 1 290.382 3.536 20 0 CHADMP CC[N@H+](CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)C(C)C ZINC000436229563 1122525181 /nfs/dbraw/zinc/52/51/81/1122525181.db2.gz FNSGWGHVHPPWOG-QZTJIDSGSA-N 2 1 274.452 3.643 20 0 CHADMP CC[N@@H+](CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)C(C)C ZINC000436229563 1122525184 /nfs/dbraw/zinc/52/51/84/1122525184.db2.gz FNSGWGHVHPPWOG-QZTJIDSGSA-N 2 1 274.452 3.643 20 0 CHADMP CCC[N@H+](CC)CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000436248842 1122526487 /nfs/dbraw/zinc/52/64/87/1122526487.db2.gz CDGHZXQGCKRWST-MSOLQXFVSA-N 2 1 274.452 3.644 20 0 CHADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000436248842 1122526488 /nfs/dbraw/zinc/52/64/88/1122526488.db2.gz CDGHZXQGCKRWST-MSOLQXFVSA-N 2 1 274.452 3.644 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000436283413 1122530791 /nfs/dbraw/zinc/53/07/91/1122530791.db2.gz UYRUEFJIKDGVAU-NEWSRXKRSA-N 2 1 286.463 3.644 20 0 CHADMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@H]1CCCC[C@H]1C ZINC001643932681 1129062039 /nfs/dbraw/zinc/06/20/39/1129062039.db2.gz SDROYTLLSGLLKH-HUUCEWRRSA-N 2 1 254.462 3.523 20 0 CHADMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@H]1CCCC[C@H]1C ZINC001643932681 1129062041 /nfs/dbraw/zinc/06/20/41/1129062041.db2.gz SDROYTLLSGLLKH-HUUCEWRRSA-N 2 1 254.462 3.523 20 0 CHADMP C[N@@H+](CCCC1CCCC1)CC[C@@H]1CCCC[NH+]1C ZINC001191256072 1122584895 /nfs/dbraw/zinc/58/48/95/1122584895.db2.gz FFBIYFSUBSAEIE-KRWDZBQOSA-N 2 1 266.473 3.763 20 0 CHADMP C[NH+](CCCC1CCCC1)CC[C@@H]1CCCC[N@@H+]1C ZINC001191256072 1122584897 /nfs/dbraw/zinc/58/48/97/1122584897.db2.gz FFBIYFSUBSAEIE-KRWDZBQOSA-N 2 1 266.473 3.763 20 0 CHADMP C[NH+](CCCC1CCCC1)CC[C@@H]1CCCC[N@H+]1C ZINC001191256072 1122584899 /nfs/dbraw/zinc/58/48/99/1122584899.db2.gz FFBIYFSUBSAEIE-KRWDZBQOSA-N 2 1 266.473 3.763 20 0 CHADMP C[C@H]1CCCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167961387 1122592043 /nfs/dbraw/zinc/59/20/43/1122592043.db2.gz JPVFGJXYPPFTEC-HTBOALCVSA-N 2 1 290.495 3.808 20 0 CHADMP CCCc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCC)C2)cc1 ZINC001191365561 1122596030 /nfs/dbraw/zinc/59/60/30/1122596030.db2.gz BWEPTIRXPJKEAX-LJQANCHMSA-N 2 1 288.479 3.803 20 0 CHADMP CCCc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCC)C2)cc1 ZINC001191365561 1122596033 /nfs/dbraw/zinc/59/60/33/1122596033.db2.gz BWEPTIRXPJKEAX-LJQANCHMSA-N 2 1 288.479 3.803 20 0 CHADMP CCCc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCC)C2)cc1 ZINC001191365561 1122596041 /nfs/dbraw/zinc/59/60/41/1122596041.db2.gz BWEPTIRXPJKEAX-LJQANCHMSA-N 2 1 288.479 3.803 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC3CCC2CC3)C[C@@H]1C ZINC001191416542 1122599094 /nfs/dbraw/zinc/59/90/94/1122599094.db2.gz JUBSQXDQKHLOMB-FHZKDXSVSA-N 2 1 278.484 3.617 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC3CCC2CC3)C[C@@H]1C ZINC001191416542 1122599085 /nfs/dbraw/zinc/59/90/85/1122599085.db2.gz JUBSQXDQKHLOMB-FHZKDXSVSA-N 2 1 278.484 3.617 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC3CCC2CC3)C[C@@H]1C ZINC001191416542 1122599089 /nfs/dbraw/zinc/59/90/89/1122599089.db2.gz JUBSQXDQKHLOMB-FHZKDXSVSA-N 2 1 278.484 3.617 20 0 CHADMP CC(C)=CCN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001191520677 1122603719 /nfs/dbraw/zinc/60/37/19/1122603719.db2.gz JMRHVJMIKSWTJX-WOJBJXKFSA-N 2 1 298.474 3.939 20 0 CHADMP CC(C)=CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001191520677 1122603721 /nfs/dbraw/zinc/60/37/21/1122603721.db2.gz JMRHVJMIKSWTJX-WOJBJXKFSA-N 2 1 298.474 3.939 20 0 CHADMP CC(C)=CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001191520677 1122603722 /nfs/dbraw/zinc/60/37/22/1122603722.db2.gz JMRHVJMIKSWTJX-WOJBJXKFSA-N 2 1 298.474 3.939 20 0 CHADMP CC(C)=CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001191520677 1122603724 /nfs/dbraw/zinc/60/37/24/1122603724.db2.gz JMRHVJMIKSWTJX-WOJBJXKFSA-N 2 1 298.474 3.939 20 0 CHADMP CC(C)=CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001191520677 1122603726 /nfs/dbraw/zinc/60/37/26/1122603726.db2.gz JMRHVJMIKSWTJX-WOJBJXKFSA-N 2 1 298.474 3.939 20 0 CHADMP CC(C)=CCN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001191520672 1122603764 /nfs/dbraw/zinc/60/37/64/1122603764.db2.gz JMRHVJMIKSWTJX-PMACEKPBSA-N 2 1 298.474 3.939 20 0 CHADMP CC(C)=CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001191520672 1122603766 /nfs/dbraw/zinc/60/37/66/1122603766.db2.gz JMRHVJMIKSWTJX-PMACEKPBSA-N 2 1 298.474 3.939 20 0 CHADMP CC(C)=CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001191520672 1122603767 /nfs/dbraw/zinc/60/37/67/1122603767.db2.gz JMRHVJMIKSWTJX-PMACEKPBSA-N 2 1 298.474 3.939 20 0 CHADMP CC(C)=CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001191520672 1122603768 /nfs/dbraw/zinc/60/37/68/1122603768.db2.gz JMRHVJMIKSWTJX-PMACEKPBSA-N 2 1 298.474 3.939 20 0 CHADMP CC(C)=CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001191520672 1122603769 /nfs/dbraw/zinc/60/37/69/1122603769.db2.gz JMRHVJMIKSWTJX-PMACEKPBSA-N 2 1 298.474 3.939 20 0 CHADMP CC(C)c1ccc(CC[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001205602524 1122649734 /nfs/dbraw/zinc/64/97/34/1122649734.db2.gz JDVSJBWYVRGXJL-QFBILLFUSA-N 2 1 288.479 3.659 20 0 CHADMP CC1=CC[C@H](CC[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)C1(C)C ZINC001205603042 1122651176 /nfs/dbraw/zinc/65/11/76/1122651176.db2.gz NIMLWJBEWGAUKD-BHYGNILZSA-N 2 1 278.484 3.676 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc2ccc(C)cc2o1 ZINC000425933871 1122662556 /nfs/dbraw/zinc/66/25/56/1122662556.db2.gz XLLMLSIKZDDHDM-ZDUSSCGKSA-N 2 1 283.375 3.597 20 0 CHADMP Cc1cc2cc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)oc2cc1C ZINC000425935345 1122662859 /nfs/dbraw/zinc/66/28/59/1122662859.db2.gz CYEFKKDRMSMBMX-WFASDCNBSA-N 2 1 288.435 3.898 20 0 CHADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1)C[NH+](C)C ZINC000425935550 1122663893 /nfs/dbraw/zinc/66/38/93/1122663893.db2.gz IXTRYYHISJCDKV-GJZGRUSLSA-N 2 1 286.419 3.795 20 0 CHADMP Cc1ccc([C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c2ccccc2)cc1 ZINC000425935904 1122665644 /nfs/dbraw/zinc/66/56/44/1122665644.db2.gz KAJRSHBZHCAHLQ-PXNSSMCTSA-N 2 1 296.458 3.872 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000438086540 1122674863 /nfs/dbraw/zinc/67/48/63/1122674863.db2.gz HVZVXTAOQFPZIN-YRPNKDGESA-N 2 1 298.474 3.713 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000438086540 1122674868 /nfs/dbraw/zinc/67/48/68/1122674868.db2.gz HVZVXTAOQFPZIN-YRPNKDGESA-N 2 1 298.474 3.713 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000426036830 1122704735 /nfs/dbraw/zinc/70/47/35/1122704735.db2.gz RZPSWIDNKQXFMZ-VCBZYWHSSA-N 2 1 286.463 3.772 20 0 CHADMP Cc1cccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1C ZINC000506342704 1122721601 /nfs/dbraw/zinc/72/16/01/1122721601.db2.gz TYWJAEQGEZISLV-UHFFFAOYSA-N 2 1 274.452 3.608 20 0 CHADMP Cc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1C ZINC000506353844 1122723845 /nfs/dbraw/zinc/72/38/45/1122723845.db2.gz AHFIFXQKGJXTSU-UHFFFAOYSA-N 2 1 274.452 3.608 20 0 CHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(Cl)c(F)c2)CC1 ZINC000506387966 1122731342 /nfs/dbraw/zinc/73/13/42/1122731342.db2.gz UAAHOVMRNLHPJU-UHFFFAOYSA-N 2 1 298.833 3.784 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)c(F)c2)CC1 ZINC000506387966 1122731346 /nfs/dbraw/zinc/73/13/46/1122731346.db2.gz UAAHOVMRNLHPJU-UHFFFAOYSA-N 2 1 298.833 3.784 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(C(C)(C)C)cc2)CC[N@H+]1C ZINC000153641585 1129074227 /nfs/dbraw/zinc/07/42/27/1129074227.db2.gz TVVTWRSHRUYLAD-QAPCUYQASA-N 2 1 288.479 3.599 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205652260 1122747198 /nfs/dbraw/zinc/74/71/98/1122747198.db2.gz OTHFCDTXRYAABE-SWLSCSKDSA-N 2 1 294.870 3.764 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cs1 ZINC000295839186 1122757800 /nfs/dbraw/zinc/75/78/00/1122757800.db2.gz FNAAUUVZLJWKCP-CQSZACIVSA-N 2 1 280.481 3.828 20 0 CHADMP C[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167967475 1122846864 /nfs/dbraw/zinc/84/68/64/1122846864.db2.gz FDVRBXPPNPYXMM-MHDJUUOISA-N 2 1 276.468 3.560 20 0 CHADMP c1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c2cccccc1-2 ZINC001204742400 1122848563 /nfs/dbraw/zinc/84/85/63/1122848563.db2.gz MXZYKSCNZJNBPT-UHFFFAOYSA-N 2 1 294.442 3.757 20 0 CHADMP C[C@]1(F)CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167983805 1122907734 /nfs/dbraw/zinc/90/77/34/1122907734.db2.gz IDAGGMSYDNCODS-WFFDWFOESA-N 2 1 294.458 3.606 20 0 CHADMP C[C@]1(F)CCCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167983805 1122907738 /nfs/dbraw/zinc/90/77/38/1122907738.db2.gz IDAGGMSYDNCODS-WFFDWFOESA-N 2 1 294.458 3.606 20 0 CHADMP C[C@]1(F)CCCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167983805 1122907740 /nfs/dbraw/zinc/90/77/40/1122907740.db2.gz IDAGGMSYDNCODS-WFFDWFOESA-N 2 1 294.458 3.606 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(Cl)o2)CC1 ZINC000506933315 1122913853 /nfs/dbraw/zinc/91/38/53/1122913853.db2.gz WIAHTZWTVYWLJT-UHFFFAOYSA-N 2 1 298.858 3.877 20 0 CHADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cc(C)ccc1C ZINC001196944219 1122940935 /nfs/dbraw/zinc/94/09/35/1122940935.db2.gz UHOSXHKWNRHMFV-SJLPKXTDSA-N 2 1 274.452 3.828 20 0 CHADMP CC(C)[C@H]1CC[C@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000578918581 1122941638 /nfs/dbraw/zinc/94/16/38/1122941638.db2.gz JQXSPCQNFSUIEN-QZTJIDSGSA-N 2 1 274.452 3.533 20 0 CHADMP c1sc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1-c1ccccc1 ZINC000427109344 1122944891 /nfs/dbraw/zinc/94/48/91/1122944891.db2.gz GYPKGMUTRMQTFL-QAPCUYQASA-N 2 1 298.455 3.599 20 0 CHADMP c1sc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1-c1ccccc1 ZINC000427109344 1122944895 /nfs/dbraw/zinc/94/48/95/1122944895.db2.gz GYPKGMUTRMQTFL-QAPCUYQASA-N 2 1 298.455 3.599 20 0 CHADMP c1cc(-c2ccccc2)sc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427131928 1122945147 /nfs/dbraw/zinc/94/51/47/1122945147.db2.gz XBBCXZGQTAHGKK-NVXWUHKLSA-N 2 1 298.455 3.599 20 0 CHADMP c1cc(-c2ccccc2)sc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427131928 1122945150 /nfs/dbraw/zinc/94/51/50/1122945150.db2.gz XBBCXZGQTAHGKK-NVXWUHKLSA-N 2 1 298.455 3.599 20 0 CHADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@@H]1c1ccccc1 ZINC001197658235 1122964052 /nfs/dbraw/zinc/96/40/52/1122964052.db2.gz FAZRKSPXGRZRPN-NJAFHUGGSA-N 2 1 272.436 3.554 20 0 CHADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@@H]1c1ccccc1 ZINC001197658235 1122964054 /nfs/dbraw/zinc/96/40/54/1122964054.db2.gz FAZRKSPXGRZRPN-NJAFHUGGSA-N 2 1 272.436 3.554 20 0 CHADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)[C@@H]1c1ccccc1 ZINC001197658235 1122964055 /nfs/dbraw/zinc/96/40/55/1122964055.db2.gz FAZRKSPXGRZRPN-NJAFHUGGSA-N 2 1 272.436 3.554 20 0 CHADMP CCCCCC[C@@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000121520473 1122994256 /nfs/dbraw/zinc/99/42/56/1122994256.db2.gz JJTLUZAFWJOLJS-HUUCEWRRSA-N 2 1 265.445 3.776 20 0 CHADMP CC[C@@H](F)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000440600515 1123018849 /nfs/dbraw/zinc/01/88/49/1123018849.db2.gz RCXNPFICCFLSJK-SWLSCSKDSA-N 2 1 275.371 3.579 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC2CCCC2)[C@H](C)C1 ZINC000440696465 1123030323 /nfs/dbraw/zinc/03/03/23/1123030323.db2.gz UAWRMTXHSNGDOH-NVXWUHKLSA-N 2 1 266.473 3.619 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(CC(C)C)cc2)C1 ZINC001199742436 1123038436 /nfs/dbraw/zinc/03/84/36/1123038436.db2.gz CEUBBGVYXOFJMV-IBGZPJMESA-N 2 1 288.479 3.707 20 0 CHADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC001205915231 1123082729 /nfs/dbraw/zinc/08/27/29/1123082729.db2.gz OXIFHRMDRZMHKQ-KBXCAEBGSA-N 2 1 272.436 3.513 20 0 CHADMP Cc1[nH+]c2c(Nc3cccc(C[NH+](C)C)c3)cccn2c1C ZINC001201396499 1123091892 /nfs/dbraw/zinc/09/18/92/1123091892.db2.gz RJWNGQDOBBAAMM-UHFFFAOYSA-N 2 1 294.402 3.756 20 0 CHADMP CCC(CC)[N@@H+](CC)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994483 1123104241 /nfs/dbraw/zinc/10/42/41/1123104241.db2.gz GELZXNOCVVVEFV-JWTNVVGKSA-N 2 1 278.484 3.902 20 0 CHADMP CCC(CC)[NH+](CC)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994483 1123104243 /nfs/dbraw/zinc/10/42/43/1123104243.db2.gz GELZXNOCVVVEFV-JWTNVVGKSA-N 2 1 278.484 3.902 20 0 CHADMP CCC(CC)[NH+](CC)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994483 1123104245 /nfs/dbraw/zinc/10/42/45/1123104245.db2.gz GELZXNOCVVVEFV-JWTNVVGKSA-N 2 1 278.484 3.902 20 0 CHADMP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](CC(C)(C)C)CC1 ZINC001201441505 1123104945 /nfs/dbraw/zinc/10/49/45/1123104945.db2.gz GZABOBZMNLYPLL-UHFFFAOYSA-N 2 1 292.442 3.768 20 0 CHADMP CC(C)=CCC[C@H](C)C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001201499654 1123112057 /nfs/dbraw/zinc/11/20/57/1123112057.db2.gz NZRSDGQARZOISS-INIZCTEOSA-N 2 1 264.457 3.539 20 0 CHADMP CC[C@@H](C)C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001201516426 1123120401 /nfs/dbraw/zinc/12/04/01/1123120401.db2.gz YBUMNDXKYHDWFD-QGZVFWFLSA-N 2 1 288.479 3.877 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC001201557505 1123123198 /nfs/dbraw/zinc/12/31/98/1123123198.db2.gz KHNBAQJSPPJCMV-SJORKVTESA-N 2 1 280.500 3.913 20 0 CHADMP CCC[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001201638400 1123129997 /nfs/dbraw/zinc/12/99/97/1123129997.db2.gz NGYUTHQTLZELPM-XIRDDKMYSA-N 2 1 292.492 3.690 20 0 CHADMP CCCC[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001201706721 1123138439 /nfs/dbraw/zinc/13/84/39/1123138439.db2.gz QMUOEHHMKKWNQL-UHFFFAOYSA-N 2 1 292.492 3.836 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000246922454 1123139981 /nfs/dbraw/zinc/13/99/81/1123139981.db2.gz GNRAGLSMTBIWCM-KDOFPFPSSA-N 2 1 290.426 3.523 20 0 CHADMP CCCCCC[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001201754152 1123146241 /nfs/dbraw/zinc/14/62/41/1123146241.db2.gz OQXUEUNKCCJUTP-DLBZAZTESA-N 2 1 266.473 3.906 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+]1CCCC[C@H]([NH3+])C1 ZINC001205933112 1123173669 /nfs/dbraw/zinc/17/36/69/1123173669.db2.gz YJBKCQKPUCFCEW-ZDUSSCGKSA-N 2 1 274.433 3.523 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+]1CCCC[C@H]([NH3+])C1 ZINC001205933112 1123173671 /nfs/dbraw/zinc/17/36/71/1123173671.db2.gz YJBKCQKPUCFCEW-ZDUSSCGKSA-N 2 1 274.433 3.523 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(C(F)F)nc1 ZINC000850440413 1123267012 /nfs/dbraw/zinc/26/70/12/1123267012.db2.gz XHTMYKXQTUDWTO-IACUBPJLSA-N 2 1 297.393 3.543 20 0 CHADMP CC(C)CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccoc1 ZINC000428217988 1123283105 /nfs/dbraw/zinc/28/31/05/1123283105.db2.gz IQAQTHDFKNRVIJ-QAPCUYQASA-N 2 1 290.451 3.831 20 0 CHADMP C[C@H](C[NH+]1CCCCCC1)[NH2+]C1CCC(C(F)F)CC1 ZINC000442837872 1123342788 /nfs/dbraw/zinc/34/27/88/1123342788.db2.gz RAEMXQUZJUBYDO-WLYUNCDWSA-N 2 1 288.426 3.664 20 0 CHADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000442920876 1123349315 /nfs/dbraw/zinc/34/93/15/1123349315.db2.gz MAHICFZDPMMERN-HNNXBMFYSA-N 2 1 284.403 3.507 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000271863474 1129115772 /nfs/dbraw/zinc/11/57/72/1129115772.db2.gz KYUQOBPEMLGGCJ-RTBURBONSA-N 2 1 284.447 3.564 20 0 CHADMP CC(C)c1ccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271874230 1129115836 /nfs/dbraw/zinc/11/58/36/1129115836.db2.gz NQEOZFVNYVSQLR-HNNXBMFYSA-N 2 1 272.436 3.723 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccsc2S1 ZINC000271901699 1129115852 /nfs/dbraw/zinc/11/58/52/1129115852.db2.gz VRZKXEVXLYLGDR-SMDDNHRTSA-N 2 1 294.489 3.525 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000271870227 1129115894 /nfs/dbraw/zinc/11/58/94/1129115894.db2.gz MKCVPAHSUUHQDW-KRWDZBQOSA-N 2 1 290.838 3.643 20 0 CHADMP C[C@H]1CC([NH2+]CCC[N@H+]2CCCC[C@H]2C)C[C@H](C)C1 ZINC000252114851 1123412897 /nfs/dbraw/zinc/41/28/97/1123412897.db2.gz IISPYOIGOZHJRR-BZUAXINKSA-N 2 1 266.473 3.665 20 0 CHADMP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CCC4(C3)CC[NH2+]CC4)C2)cc1 ZINC000852746012 1123414741 /nfs/dbraw/zinc/41/47/41/1123414741.db2.gz CMGSUVVLHUURSF-IEBWSBKVSA-N 2 1 298.474 3.646 20 0 CHADMP C[C@@H]1C[C@@H](n2ccc(C[NH3+])c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168021955 1123429379 /nfs/dbraw/zinc/42/93/79/1123429379.db2.gz RNPKFENQJADERU-HGKCTWBKSA-N 2 1 297.446 3.561 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000353241782 1123443019 /nfs/dbraw/zinc/44/30/19/1123443019.db2.gz GKQYGOPEDFKCMZ-ZDUSSCGKSA-N 2 1 276.415 3.520 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)CCCCC(F)(F)F)CC1 ZINC000443630400 1123450473 /nfs/dbraw/zinc/45/04/73/1123450473.db2.gz JMJVAAQWGFONER-UHFFFAOYSA-N 2 1 280.378 3.524 20 0 CHADMP CC1=CCC[C@H](C)[C@H]1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000443641868 1123456029 /nfs/dbraw/zinc/45/60/29/1123456029.db2.gz MRBLKZGEDCDJHB-UHOSZYNNSA-N 2 1 290.495 3.643 20 0 CHADMP CC1=CCC[C@H](C)[C@H]1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000443641868 1123456032 /nfs/dbraw/zinc/45/60/32/1123456032.db2.gz MRBLKZGEDCDJHB-UHOSZYNNSA-N 2 1 290.495 3.643 20 0 CHADMP CC1=CCC[C@H](C)[C@H]1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000443641868 1123456035 /nfs/dbraw/zinc/45/60/35/1123456035.db2.gz MRBLKZGEDCDJHB-UHOSZYNNSA-N 2 1 290.495 3.643 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2C(C)=CCC[C@H]2C)[C@@H](C)C1 ZINC000443663305 1123466241 /nfs/dbraw/zinc/46/62/41/1123466241.db2.gz WYBKMYDFKGRWBX-XDNAFOTISA-N 2 1 278.484 3.641 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2C(C)=CCC[C@H]2C)[C@@H](C)C1 ZINC000443663305 1123466243 /nfs/dbraw/zinc/46/62/43/1123466243.db2.gz WYBKMYDFKGRWBX-XDNAFOTISA-N 2 1 278.484 3.641 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2C(C)=CCC[C@H]2C)[C@@H](C)C1 ZINC000443663305 1123466244 /nfs/dbraw/zinc/46/62/44/1123466244.db2.gz WYBKMYDFKGRWBX-XDNAFOTISA-N 2 1 278.484 3.641 20 0 CHADMP CC(C)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000052381688 1123481706 /nfs/dbraw/zinc/48/17/06/1123481706.db2.gz IRVXSHAYRNZMMD-INIZCTEOSA-N 2 1 274.452 3.664 20 0 CHADMP CCC1(CC)CCC([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000474424181 1123526222 /nfs/dbraw/zinc/52/62/22/1123526222.db2.gz BCFYWWNVOSABIX-GOEBONIOSA-N 2 1 266.473 3.665 20 0 CHADMP CCC1(CC)CCC([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000474424181 1123526227 /nfs/dbraw/zinc/52/62/27/1123526227.db2.gz BCFYWWNVOSABIX-GOEBONIOSA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)C[C@@H](C[NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000474470183 1123535914 /nfs/dbraw/zinc/53/59/14/1123535914.db2.gz LDANQAWGDGBEDM-KRWDZBQOSA-N 2 1 274.452 3.500 20 0 CHADMP C[C@H]([NH2+]C[C@@H](C1CCCCC1)[NH+](C)C)C1CCSCC1 ZINC000474484465 1123538482 /nfs/dbraw/zinc/53/84/82/1123538482.db2.gz JPVBJUXGUUGONT-YOEHRIQHSA-N 2 1 298.540 3.618 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000054077369 1123552786 /nfs/dbraw/zinc/55/27/86/1123552786.db2.gz QMKCPRAMCKPIKV-MRXNPFEDSA-N 2 1 286.463 3.819 20 0 CHADMP CC[N@H+](CC[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1)C(C)C ZINC000474597401 1123554272 /nfs/dbraw/zinc/55/42/72/1123554272.db2.gz ATXRJWQTKNKDLH-JKSUJKDBSA-N 2 1 292.467 3.507 20 0 CHADMP CC[N@@H+](CC[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1)C(C)C ZINC000474597401 1123554275 /nfs/dbraw/zinc/55/42/75/1123554275.db2.gz ATXRJWQTKNKDLH-JKSUJKDBSA-N 2 1 292.467 3.507 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000313870175 1129129733 /nfs/dbraw/zinc/12/97/33/1129129733.db2.gz QSRIHCMKEZARSW-BEFAXECRSA-N 2 1 280.415 3.586 20 0 CHADMP C[C@@H]1C[C@@H]([NH+]2CC(C)(C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039954 1123563485 /nfs/dbraw/zinc/56/34/85/1123563485.db2.gz JBDZLCRRSDIJHK-ALXJQNPVSA-N 2 1 286.463 3.770 20 0 CHADMP CCC[N@H+](C)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168040971 1123571678 /nfs/dbraw/zinc/57/16/78/1123571678.db2.gz PLXXPGAYFATXGW-HOTGVXAUSA-N 2 1 274.452 3.770 20 0 CHADMP CCC[N@@H+](C)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168040971 1123571681 /nfs/dbraw/zinc/57/16/81/1123571681.db2.gz PLXXPGAYFATXGW-HOTGVXAUSA-N 2 1 274.452 3.770 20 0 CHADMP C[C@H]1CC([N@H+](C)C2CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041621 1123587387 /nfs/dbraw/zinc/58/73/87/1123587387.db2.gz ULAMTMUKGVPHIB-GJZGRUSLSA-N 2 1 272.436 3.522 20 0 CHADMP C[C@H]1CC([N@@H+](C)C2CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041621 1123587390 /nfs/dbraw/zinc/58/73/90/1123587390.db2.gz ULAMTMUKGVPHIB-GJZGRUSLSA-N 2 1 272.436 3.522 20 0 CHADMP CCC[N@H+](CC)CC[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000474795013 1123588174 /nfs/dbraw/zinc/58/81/74/1123588174.db2.gz UXBGRTQJPFNZJB-HOTGVXAUSA-N 2 1 292.467 3.509 20 0 CHADMP CCC[N@@H+](CC)CC[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000474795013 1123588175 /nfs/dbraw/zinc/58/81/75/1123588175.db2.gz UXBGRTQJPFNZJB-HOTGVXAUSA-N 2 1 292.467 3.509 20 0 CHADMP CCC[N@H+](CC)CC[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000474795014 1123588455 /nfs/dbraw/zinc/58/84/55/1123588455.db2.gz UXBGRTQJPFNZJB-HZPDHXFCSA-N 2 1 292.467 3.509 20 0 CHADMP CCC[N@@H+](CC)CC[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000474795014 1123588458 /nfs/dbraw/zinc/58/84/58/1123588458.db2.gz UXBGRTQJPFNZJB-HZPDHXFCSA-N 2 1 292.467 3.509 20 0 CHADMP CC[NH+](CC)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168041823 1123589947 /nfs/dbraw/zinc/58/99/47/1123589947.db2.gz VYQVBVPWGQNRMJ-HOTGVXAUSA-N 2 1 274.452 3.770 20 0 CHADMP CC(C)C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000474824347 1123595712 /nfs/dbraw/zinc/59/57/12/1123595712.db2.gz ZFSICHNTKAWOCQ-UHOSZYNNSA-N 2 1 288.479 3.889 20 0 CHADMP CC(C)=CCC[C@@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000157985170 1129135888 /nfs/dbraw/zinc/13/58/88/1129135888.db2.gz OUIJPZRPUIQQRH-QGZVFWFLSA-N 2 1 296.499 3.600 20 0 CHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@H](C)CCC[C@@H]1C ZINC000346192236 1123671630 /nfs/dbraw/zinc/67/16/30/1123671630.db2.gz DSHWTSQGLJXZOB-CABCVRRESA-N 2 1 298.434 3.586 20 0 CHADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)cs2)C1 ZINC000346650555 1123701440 /nfs/dbraw/zinc/70/14/40/1123701440.db2.gz PQBKCOCVGWCLMW-ZFWWWQNUSA-N 2 1 286.444 3.584 20 0 CHADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cccc(-c2ccccn2)c1 ZINC000346671781 1123705706 /nfs/dbraw/zinc/70/57/06/1123705706.db2.gz HDRSGYFYKQLENY-SFHVURJKSA-N 2 1 297.446 3.554 20 0 CHADMP Cc1ccc([C@H]2CCCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000346982106 1123739041 /nfs/dbraw/zinc/73/90/41/1123739041.db2.gz MYSKPAHGRGJSRA-FUHWJXTLSA-N 2 1 272.436 3.522 20 0 CHADMP C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(-c2ccccc2)o1 ZINC000158249973 1129142105 /nfs/dbraw/zinc/14/21/05/1129142105.db2.gz UGPQBWWWQBCOBF-HZPDHXFCSA-N 2 1 298.430 3.939 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc(-c2ccccc2)o1 ZINC000158249973 1129142106 /nfs/dbraw/zinc/14/21/06/1129142106.db2.gz UGPQBWWWQBCOBF-HZPDHXFCSA-N 2 1 298.430 3.939 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(-c2ccccc2)o1 ZINC000158249973 1129142108 /nfs/dbraw/zinc/14/21/08/1129142108.db2.gz UGPQBWWWQBCOBF-HZPDHXFCSA-N 2 1 298.430 3.939 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(-c2ccccc2)o1 ZINC000158249973 1129142111 /nfs/dbraw/zinc/14/21/11/1129142111.db2.gz UGPQBWWWQBCOBF-HZPDHXFCSA-N 2 1 298.430 3.939 20 0 CHADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000469860035 1123757723 /nfs/dbraw/zinc/75/77/23/1123757723.db2.gz DRITXTWZOYNUOG-KGLIPLIRSA-N 2 1 286.444 3.584 20 0 CHADMP C[C@@H]1CC([N@@H+]2C[C@H]3CC[C@@H]2C3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168063808 1123858398 /nfs/dbraw/zinc/85/83/98/1123858398.db2.gz NMSUTJXMXKRNOQ-ZAWLATJESA-N 2 1 298.474 3.912 20 0 CHADMP C[C@@H]1CC([N@H+]2C[C@H]3CC[C@@H]2C3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168063808 1123858405 /nfs/dbraw/zinc/85/84/05/1123858405.db2.gz NMSUTJXMXKRNOQ-ZAWLATJESA-N 2 1 298.474 3.912 20 0 CHADMP CC[NH+](CC)Cc1ccc(CNc2cc(C)[nH+]c(C)n2)cc1 ZINC000301077669 1123873098 /nfs/dbraw/zinc/87/30/98/1123873098.db2.gz NXCNHCTXIISVOF-UHFFFAOYSA-N 2 1 298.434 3.547 20 0 CHADMP Cc1cc(NCc2ccccc2C[N@@H+](C)C(C)C)nc(C)[nH+]1 ZINC000301083834 1123873180 /nfs/dbraw/zinc/87/31/80/1123873180.db2.gz IQEGZPOTDNQAMX-UHFFFAOYSA-N 2 1 298.434 3.546 20 0 CHADMP Cc1cc(NCc2ccccc2C[N@H+](C)C(C)C)nc(C)[nH+]1 ZINC000301083834 1123873184 /nfs/dbraw/zinc/87/31/84/1123873184.db2.gz IQEGZPOTDNQAMX-UHFFFAOYSA-N 2 1 298.434 3.546 20 0 CHADMP C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc3c(c2)C[NH2+]C3)cc1 ZINC000863690811 1123890022 /nfs/dbraw/zinc/89/00/22/1123890022.db2.gz WNNKNXWATBHHBO-HNNXBMFYSA-N 2 1 292.426 3.941 20 0 CHADMP C[C@H]1CCCC[N@@H+]1CCCCNc1[nH]c2ccccc2[nH+]1 ZINC000301862719 1123939121 /nfs/dbraw/zinc/93/91/21/1123939121.db2.gz GHAHVVCYGZRSBJ-AWEZNQCLSA-N 2 1 286.423 3.629 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCCNc1[nH]c2ccccc2[nH+]1 ZINC000301862719 1123939124 /nfs/dbraw/zinc/93/91/24/1123939124.db2.gz GHAHVVCYGZRSBJ-AWEZNQCLSA-N 2 1 286.423 3.629 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](CCc2ccccc2)C(C)C)C1 ZINC000163291272 1129155118 /nfs/dbraw/zinc/15/51/18/1129155118.db2.gz USUJAXFABLETAM-OALUTQOASA-N 2 1 288.479 3.575 20 0 CHADMP CCC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CCCCC1 ZINC000152442735 1124002830 /nfs/dbraw/zinc/00/28/30/1124002830.db2.gz DTIPCVRQVGYTRN-CRAIPNDOSA-N 2 1 278.484 3.809 20 0 CHADMP F[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000865699642 1124006833 /nfs/dbraw/zinc/00/68/33/1124006833.db2.gz XUHXVZQYSPCXRI-MSOLQXFVSA-N 2 1 290.426 3.521 20 0 CHADMP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2C2CCCCC2)CC1 ZINC000034996624 1124020626 /nfs/dbraw/zinc/02/06/26/1124020626.db2.gz HFOGTWPJKDRKKG-ZWKOTPCHSA-N 2 1 278.484 3.809 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)Cc1cccc(C)c1 ZINC000866272299 1124045359 /nfs/dbraw/zinc/04/53/59/1124045359.db2.gz MOUJXHOQCCRMBF-INIZCTEOSA-N 2 1 285.435 3.501 20 0 CHADMP CC(C)[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccccn1 ZINC000866338548 1124054137 /nfs/dbraw/zinc/05/41/37/1124054137.db2.gz TVJLDGKIBINIIJ-FUHWJXTLSA-N 2 1 289.467 3.633 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc(Cl)c1C ZINC001237734713 1129163177 /nfs/dbraw/zinc/16/31/77/1129163177.db2.gz IQIWDYYFHONLEO-UHFFFAOYSA-N 2 1 282.859 3.812 20 0 CHADMP C[C@H](C[NH2+][C@@H](C)c1ccc(C(F)(F)F)s1)C[NH+](C)C ZINC000717985868 1129164461 /nfs/dbraw/zinc/16/44/61/1129164461.db2.gz UZBAPBKVJYEHSA-ZJUUUORDSA-N 2 1 294.386 3.615 20 0 CHADMP C[N@H+](C/C=C/c1ccc(Cl)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000508568628 1124115705 /nfs/dbraw/zinc/11/57/05/1124115705.db2.gz KWFHHMHNTFYKSM-WMHVBEDNSA-N 2 1 292.854 3.627 20 0 CHADMP C[N@@H+](C/C=C/c1ccc(Cl)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000508568628 1124115706 /nfs/dbraw/zinc/11/57/06/1124115706.db2.gz KWFHHMHNTFYKSM-WMHVBEDNSA-N 2 1 292.854 3.627 20 0 CHADMP C[NH+](C/C=C/c1ccc(Cl)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000508568628 1124115707 /nfs/dbraw/zinc/11/57/07/1124115707.db2.gz KWFHHMHNTFYKSM-WMHVBEDNSA-N 2 1 292.854 3.627 20 0 CHADMP C[NH+](C/C=C/c1ccc(Cl)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000508568628 1124115709 /nfs/dbraw/zinc/11/57/09/1124115709.db2.gz KWFHHMHNTFYKSM-WMHVBEDNSA-N 2 1 292.854 3.627 20 0 CHADMP C[C@H](CC1CCC1)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000635002097 1129169179 /nfs/dbraw/zinc/16/91/79/1129169179.db2.gz LMGXXCZVRYQBJT-JLSDUUJJSA-N 2 1 272.436 3.648 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+]C3CCC=CCC3)CC2)cc1 ZINC000718114892 1129173181 /nfs/dbraw/zinc/17/31/81/1129173181.db2.gz KJSRXHHSHWSNAY-UHFFFAOYSA-N 2 1 284.447 3.739 20 0 CHADMP CC[NH+]1CCC([N@H+](C)C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000526114152 1124509826 /nfs/dbraw/zinc/50/98/26/1124509826.db2.gz WVDVQBVZTWWSPM-CQSZACIVSA-N 2 1 294.870 3.860 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000526114152 1124509835 /nfs/dbraw/zinc/50/98/35/1124509835.db2.gz WVDVQBVZTWWSPM-CQSZACIVSA-N 2 1 294.870 3.860 20 0 CHADMP CC[N@H+](CC[NH2+]CC[C@H](C)c1ccccc1)C(C)C ZINC000447814873 1124532288 /nfs/dbraw/zinc/53/22/88/1124532288.db2.gz ANKSOXRJMHMMTR-INIZCTEOSA-N 2 1 262.441 3.500 20 0 CHADMP CC[N@@H+](CC[NH2+]CC[C@H](C)c1ccccc1)C(C)C ZINC000447814873 1124532293 /nfs/dbraw/zinc/53/22/93/1124532293.db2.gz ANKSOXRJMHMMTR-INIZCTEOSA-N 2 1 262.441 3.500 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCCCCC1 ZINC000526988722 1124538246 /nfs/dbraw/zinc/53/82/46/1124538246.db2.gz HQYUQLWIJVIQBS-MIGBEJBISA-N 2 1 278.484 3.950 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCCCCC1 ZINC000526988722 1124538252 /nfs/dbraw/zinc/53/82/52/1124538252.db2.gz HQYUQLWIJVIQBS-MIGBEJBISA-N 2 1 278.484 3.950 20 0 CHADMP CCc1ccccc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000527324722 1124567718 /nfs/dbraw/zinc/56/77/18/1124567718.db2.gz KFFSEZZBGZRIES-UHFFFAOYSA-N 2 1 288.479 3.801 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3ccoc32)C[C@H]1C ZINC000449033236 1124636302 /nfs/dbraw/zinc/63/63/02/1124636302.db2.gz ZEIGBMOSWUASOA-PBHICJAKSA-N 2 1 286.419 3.737 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3ccoc32)C[C@H]1C ZINC000449033236 1124636304 /nfs/dbraw/zinc/63/63/04/1124636304.db2.gz ZEIGBMOSWUASOA-PBHICJAKSA-N 2 1 286.419 3.737 20 0 CHADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449060070 1124640579 /nfs/dbraw/zinc/64/05/79/1124640579.db2.gz DNIJULHSSLBGMB-WMLDXEAASA-N 2 1 292.854 3.660 20 0 CHADMP Cc1cc(C[NH2+]CCC[NH+](C(C)C)C(C)C)cs1 ZINC000449188236 1124664574 /nfs/dbraw/zinc/66/45/74/1124664574.db2.gz SEXWJJBQQQCPEX-UHFFFAOYSA-N 2 1 268.470 3.655 20 0 CHADMP CCCn1ccnc1CCC[N@@H+](C)CCc1cccc(C)c1 ZINC000449325454 1124689892 /nfs/dbraw/zinc/68/98/92/1124689892.db2.gz MSPXGZCSANISFS-UHFFFAOYSA-N 2 1 299.462 3.709 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCc1cccc(C)c1 ZINC000449325454 1124689894 /nfs/dbraw/zinc/68/98/94/1124689894.db2.gz MSPXGZCSANISFS-UHFFFAOYSA-N 2 1 299.462 3.709 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCc1cccc(C)c1 ZINC000449325454 1124689895 /nfs/dbraw/zinc/68/98/95/1124689895.db2.gz MSPXGZCSANISFS-UHFFFAOYSA-N 2 1 299.462 3.709 20 0 CHADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449341227 1124694300 /nfs/dbraw/zinc/69/43/00/1124694300.db2.gz YKRORYFLUJCTGN-KLHKWILBSA-N 2 1 296.499 3.575 20 0 CHADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449341227 1124694303 /nfs/dbraw/zinc/69/43/03/1124694303.db2.gz YKRORYFLUJCTGN-KLHKWILBSA-N 2 1 296.499 3.575 20 0 CHADMP C[C@@H](Cc1coc2ccccc12)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449559978 1124800405 /nfs/dbraw/zinc/80/04/05/1124800405.db2.gz DRJSCXLDRKYJPK-LNRIEFBSSA-N 2 1 298.430 3.579 20 0 CHADMP CC(C)CC[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000449560660 1124803067 /nfs/dbraw/zinc/80/30/67/1124803067.db2.gz OEHCJLXTWRMJEN-DUQJVZAFSA-N 2 1 278.484 3.806 20 0 CHADMP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000449561019 1124803416 /nfs/dbraw/zinc/80/34/16/1124803416.db2.gz RPHBFOWACFGCKQ-OLPBJYBYSA-N 2 1 298.474 3.846 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000449743355 1124858297 /nfs/dbraw/zinc/85/82/97/1124858297.db2.gz WXZXDTDSRPFTRQ-KNTRFNDTSA-N 2 1 298.474 3.675 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000449743355 1124858308 /nfs/dbraw/zinc/85/83/08/1124858308.db2.gz WXZXDTDSRPFTRQ-KNTRFNDTSA-N 2 1 298.474 3.675 20 0 CHADMP CC1(C)CCC[N@@H+]1CC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000449778766 1124868858 /nfs/dbraw/zinc/86/88/58/1124868858.db2.gz CEKIZFAUCCFVLT-UHFFFAOYSA-N 2 1 290.426 3.536 20 0 CHADMP CC1(C)CCC[N@H+]1CC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000449778766 1124868868 /nfs/dbraw/zinc/86/88/68/1124868868.db2.gz CEKIZFAUCCFVLT-UHFFFAOYSA-N 2 1 290.426 3.536 20 0 CHADMP C[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)C1CCC(F)(F)CC1 ZINC000449781576 1124870121 /nfs/dbraw/zinc/87/01/21/1124870121.db2.gz IPIXBUMPXQCVKR-ZDUSSCGKSA-N 2 1 288.426 3.664 20 0 CHADMP C[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)C1CCC(F)(F)CC1 ZINC000449781576 1124870130 /nfs/dbraw/zinc/87/01/30/1124870130.db2.gz IPIXBUMPXQCVKR-ZDUSSCGKSA-N 2 1 288.426 3.664 20 0 CHADMP C[C@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1)C1CC(F)(F)C1 ZINC000529530943 1124980973 /nfs/dbraw/zinc/98/09/73/1124980973.db2.gz JRSFVQMEHYYFRJ-STQMWFEESA-N 2 1 288.426 3.520 20 0 CHADMP C[C@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1)C1CC(F)(F)C1 ZINC000529530943 1124980980 /nfs/dbraw/zinc/98/09/80/1124980980.db2.gz JRSFVQMEHYYFRJ-STQMWFEESA-N 2 1 288.426 3.520 20 0 CHADMP C([N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C12CCC(CC1)C2 ZINC000450426451 1125015947 /nfs/dbraw/zinc/01/59/47/1125015947.db2.gz PYLXCXYPXDOFSW-LXPRWKDFSA-N 2 1 276.468 3.517 20 0 CHADMP CSC(C)(C)CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000877188814 1125019425 /nfs/dbraw/zinc/01/94/25/1125019425.db2.gz HIWLLFQYFDOOBP-LSDHHAIUSA-N 2 1 298.540 3.761 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000450461302 1125027850 /nfs/dbraw/zinc/02/78/50/1125027850.db2.gz ALYOVLHHQPAIGZ-MRXNPFEDSA-N 2 1 294.870 3.546 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000450461302 1125027857 /nfs/dbraw/zinc/02/78/57/1125027857.db2.gz ALYOVLHHQPAIGZ-MRXNPFEDSA-N 2 1 294.870 3.546 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000450461302 1125027863 /nfs/dbraw/zinc/02/78/63/1125027863.db2.gz ALYOVLHHQPAIGZ-MRXNPFEDSA-N 2 1 294.870 3.546 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC/C=C\c2ccccc2)C1 ZINC000450463263 1125028828 /nfs/dbraw/zinc/02/88/28/1125028828.db2.gz NMFGZFIUFNKKET-ABMFHFBKSA-N 2 1 286.463 3.754 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC/C=C\c2ccccc2)C1 ZINC000450463263 1125028835 /nfs/dbraw/zinc/02/88/35/1125028835.db2.gz NMFGZFIUFNKKET-ABMFHFBKSA-N 2 1 286.463 3.754 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC000450463263 1125028841 /nfs/dbraw/zinc/02/88/41/1125028841.db2.gz NMFGZFIUFNKKET-ABMFHFBKSA-N 2 1 286.463 3.754 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC000450460814 1125036551 /nfs/dbraw/zinc/03/65/51/1125036551.db2.gz RBHLSBFDEJWSAQ-BEBFYNPSSA-N 2 1 286.463 3.754 20 0 CHADMP C1=C(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCCC1 ZINC000450604142 1125064076 /nfs/dbraw/zinc/06/40/76/1125064076.db2.gz VTCQCLOMGTZPMB-HKUYNNGSSA-N 2 1 288.479 3.826 20 0 CHADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(-c3cccc4ccccc43)cn12 ZINC001239471435 1131331944 /nfs/dbraw/zinc/33/19/44/1131331944.db2.gz LHDFKEBKNAHCFO-UHFFFAOYSA-N 2 1 299.377 3.841 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H]2CCCC2(F)F)C[C@@H]1C ZINC000878163832 1125125561 /nfs/dbraw/zinc/12/55/61/1125125561.db2.gz XGQCWYHQJOWJCC-KKUMJFAQSA-N 2 1 288.426 3.617 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H]2CCCC2(F)F)C[C@@H]1C ZINC000878163832 1125125565 /nfs/dbraw/zinc/12/55/65/1125125565.db2.gz XGQCWYHQJOWJCC-KKUMJFAQSA-N 2 1 288.426 3.617 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001246116182 1131336514 /nfs/dbraw/zinc/33/65/14/1131336514.db2.gz VKYCQWUEVDUCIL-JYJNAYRXSA-N 2 1 272.452 3.519 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC([NH+]3CCCCC3)C1)[C@@H](C)C2 ZINC000530424448 1125152761 /nfs/dbraw/zinc/15/27/61/1125152761.db2.gz WLFQICOZWALAOL-ZPQVWODMSA-N 2 1 298.474 3.835 20 0 CHADMP C[NH+]1CCC2(CCC[N@H+]2C[C@H]2CCCC(C)(C)C2)CC1 ZINC000530442763 1125154114 /nfs/dbraw/zinc/15/41/14/1125154114.db2.gz KXHVFZIBVKLXHX-INIZCTEOSA-N 2 1 278.484 3.763 20 0 CHADMP C=C/C=C\CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000878527339 1125159184 /nfs/dbraw/zinc/15/91/84/1125159184.db2.gz ANGAIZILLWMJNL-ARJAWSKDSA-N 2 1 285.435 3.531 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOC2CCCCCC2)C[C@H]1C ZINC000531140148 1125196234 /nfs/dbraw/zinc/19/62/34/1125196234.db2.gz AVDJADTUWGOCFR-IAGOWNOFSA-N 2 1 296.499 3.530 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOC2CCCCCC2)C[C@H]1C ZINC000531140148 1125196237 /nfs/dbraw/zinc/19/62/37/1125196237.db2.gz AVDJADTUWGOCFR-IAGOWNOFSA-N 2 1 296.499 3.530 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOC2CCCCCC2)C[C@H]1C ZINC000531140148 1125196243 /nfs/dbraw/zinc/19/62/43/1125196243.db2.gz AVDJADTUWGOCFR-IAGOWNOFSA-N 2 1 296.499 3.530 20 0 CHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)o1 ZINC000531430201 1125218615 /nfs/dbraw/zinc/21/86/15/1125218615.db2.gz ZPESTAMRKVKRTL-DOTOQJQBSA-N 2 1 278.440 3.578 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCc2ccccc21 ZINC000532191748 1125238440 /nfs/dbraw/zinc/23/84/40/1125238440.db2.gz PWKKVLNKFRHOKB-QFBILLFUSA-N 2 1 286.463 3.918 20 0 CHADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)C1CCCCC1 ZINC000532208442 1125240521 /nfs/dbraw/zinc/24/05/21/1125240521.db2.gz IJSSVBQMWIAKLU-WBTNSWJXSA-N 2 1 266.473 3.521 20 0 CHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)C(C)C ZINC000532213917 1125241199 /nfs/dbraw/zinc/24/11/99/1125241199.db2.gz PGBBWKADJTTYEW-QGZVFWFLSA-N 2 1 262.441 3.663 20 0 CHADMP COc1cc(C)ccc1[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000037236779 1125364947 /nfs/dbraw/zinc/36/49/47/1125364947.db2.gz QVXDRMJVSXVNBP-OAHLLOKOSA-N 2 1 290.451 3.527 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCCSC1 ZINC000131130674 1125374264 /nfs/dbraw/zinc/37/42/64/1125374264.db2.gz YEDXAZPAGAMYCB-KRWDZBQOSA-N 2 1 292.492 3.512 20 0 CHADMP C[C@@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000309686795 1125380026 /nfs/dbraw/zinc/38/00/26/1125380026.db2.gz BWKFLLFNWCHLHN-FUHWJXTLSA-N 2 1 288.479 3.780 20 0 CHADMP C=C/C=C/CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000883259998 1125387473 /nfs/dbraw/zinc/38/74/73/1125387473.db2.gz GYABKAUINVSUOZ-RTLBZRNLSA-N 2 1 296.458 3.906 20 0 CHADMP C=C/C=C/CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000883259998 1125387474 /nfs/dbraw/zinc/38/74/74/1125387474.db2.gz GYABKAUINVSUOZ-RTLBZRNLSA-N 2 1 296.458 3.906 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)c2cccc3ccccc32)C1 ZINC000040592194 1125388826 /nfs/dbraw/zinc/38/88/26/1125388826.db2.gz ZZFPDOUWXUFXDS-HZPDHXFCSA-N 2 1 282.431 3.832 20 0 CHADMP CC(C)=CCC[C@H](C)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000532454353 1125388863 /nfs/dbraw/zinc/38/88/63/1125388863.db2.gz QFWOZXPHZQJWDE-HNNXBMFYSA-N 2 1 252.446 3.585 20 0 CHADMP CC[C@@H]([NH2+]C[C@H](CC(C)C)[NH+](CC)CC)C1CCOCC1 ZINC000532458877 1125391672 /nfs/dbraw/zinc/39/16/72/1125391672.db2.gz UXWJPGQMARTBEF-ZWKOTPCHSA-N 2 1 298.515 3.538 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCCCCC1 ZINC000227919220 1125392748 /nfs/dbraw/zinc/39/27/48/1125392748.db2.gz WQNOLHNEIIOKFH-XIRDDKMYSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)C1CCCCCC1 ZINC000227919220 1125392750 /nfs/dbraw/zinc/39/27/50/1125392750.db2.gz WQNOLHNEIIOKFH-XIRDDKMYSA-N 2 1 264.457 3.562 20 0 CHADMP Cc1cccc([C@H]2CCC[N@H+]2CC[C@H]2CCCC[NH2+]2)c1 ZINC001204849231 1125433011 /nfs/dbraw/zinc/43/30/11/1125433011.db2.gz ZAXJDYUCZQGDQI-QZTJIDSGSA-N 2 1 272.436 3.664 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+](Cc1ccco1)C1CCCC1 ZINC000124960839 1125444097 /nfs/dbraw/zinc/44/40/97/1125444097.db2.gz CDURGFBFIPBPSN-HNNXBMFYSA-N 2 1 276.424 3.509 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+](Cc1ccco1)C1CCCC1 ZINC000124960839 1125444098 /nfs/dbraw/zinc/44/40/98/1125444098.db2.gz CDURGFBFIPBPSN-HNNXBMFYSA-N 2 1 276.424 3.509 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1ccco1)C1CCCC1 ZINC000124960839 1125444099 /nfs/dbraw/zinc/44/40/99/1125444099.db2.gz CDURGFBFIPBPSN-HNNXBMFYSA-N 2 1 276.424 3.509 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000125782945 1125452079 /nfs/dbraw/zinc/45/20/79/1125452079.db2.gz NYISISIFOCYTHP-FUHWJXTLSA-N 2 1 274.452 3.848 20 0 CHADMP CSC(C)(C)C[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001258331389 1129208594 /nfs/dbraw/zinc/20/85/94/1129208594.db2.gz NJLKZIHCZIMLBS-ILXRZTDVSA-N 2 1 286.529 3.615 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cs1 ZINC000294087107 1129213409 /nfs/dbraw/zinc/21/34/09/1129213409.db2.gz AUFIVELRXCWKPP-CYBMUJFWSA-N 2 1 266.454 3.580 20 0 CHADMP CC[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)CC[NH2+]1 ZINC001246153094 1131358704 /nfs/dbraw/zinc/35/87/04/1131358704.db2.gz LNWUKWQDFNPVBW-KGLIPLIRSA-N 2 1 287.234 3.614 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000638335775 1129254694 /nfs/dbraw/zinc/25/46/94/1129254694.db2.gz RTVZVSMGAYCGCJ-KFKAGJAMSA-N 2 1 297.446 3.611 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(C(F)F)c1 ZINC000348049554 1129274576 /nfs/dbraw/zinc/27/45/76/1129274576.db2.gz OOBUZGHFBCYZHK-UHFFFAOYSA-N 2 1 293.361 3.651 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(C(F)F)c1 ZINC000348049554 1129274580 /nfs/dbraw/zinc/27/45/80/1129274580.db2.gz OOBUZGHFBCYZHK-UHFFFAOYSA-N 2 1 293.361 3.651 20 0 CHADMP Cc1ccc([C@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000348080621 1129277740 /nfs/dbraw/zinc/27/77/40/1129277740.db2.gz RDJPVFRRVDLTQH-QZTJIDSGSA-N 2 1 272.436 3.616 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(F)F)c2)C[C@@H]1C ZINC000348057851 1129278489 /nfs/dbraw/zinc/27/84/89/1129278489.db2.gz UESBDFCYUIVEII-XJKSGUPXSA-N 2 1 296.405 3.929 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(F)F)c2)C[C@@H]1C ZINC000348057851 1129278493 /nfs/dbraw/zinc/27/84/93/1129278493.db2.gz UESBDFCYUIVEII-XJKSGUPXSA-N 2 1 296.405 3.929 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C(F)F)c2)C[C@@H]1C ZINC000348057851 1129278496 /nfs/dbraw/zinc/27/84/96/1129278496.db2.gz UESBDFCYUIVEII-XJKSGUPXSA-N 2 1 296.405 3.929 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C(F)F)c2)C[C@@H]1C ZINC000348057851 1129278500 /nfs/dbraw/zinc/27/85/00/1129278500.db2.gz UESBDFCYUIVEII-XJKSGUPXSA-N 2 1 296.405 3.929 20 0 CHADMP FCCCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639196282 1129291420 /nfs/dbraw/zinc/29/14/20/1129291420.db2.gz NPYDBQCBDYDQBI-FUHWJXTLSA-N 2 1 290.426 3.694 20 0 CHADMP FCCCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639196282 1129291421 /nfs/dbraw/zinc/29/14/21/1129291421.db2.gz NPYDBQCBDYDQBI-FUHWJXTLSA-N 2 1 290.426 3.694 20 0 CHADMP FCCCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639196278 1129291743 /nfs/dbraw/zinc/29/17/43/1129291743.db2.gz NPYDBQCBDYDQBI-AEFFLSMTSA-N 2 1 290.426 3.694 20 0 CHADMP FCCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639196278 1129291745 /nfs/dbraw/zinc/29/17/45/1129291745.db2.gz NPYDBQCBDYDQBI-AEFFLSMTSA-N 2 1 290.426 3.694 20 0 CHADMP FCCCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639196285 1129291775 /nfs/dbraw/zinc/29/17/75/1129291775.db2.gz NPYDBQCBDYDQBI-WMZOPIPTSA-N 2 1 290.426 3.694 20 0 CHADMP FCCCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639196285 1129291776 /nfs/dbraw/zinc/29/17/76/1129291776.db2.gz NPYDBQCBDYDQBI-WMZOPIPTSA-N 2 1 290.426 3.694 20 0 CHADMP CC(C)=CCC[C@H](C)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000642630486 1129422073 /nfs/dbraw/zinc/42/20/73/1129422073.db2.gz GQWQDVALSWPYDE-KSZLIROESA-N 2 1 278.484 3.975 20 0 CHADMP CCC[C@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)c1ccccn1 ZINC000643453413 1129442241 /nfs/dbraw/zinc/44/22/41/1129442241.db2.gz VRLKWNFZBFUEBJ-NUJGCVRESA-N 2 1 289.467 3.823 20 0 CHADMP CC[C@@H](Cc1cccs1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000643511443 1129443599 /nfs/dbraw/zinc/44/35/99/1129443599.db2.gz PVYLKBHRKNATAK-GOEBONIOSA-N 2 1 280.481 3.566 20 0 CHADMP c1ccc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)cc1 ZINC000643902093 1129454224 /nfs/dbraw/zinc/45/42/24/1129454224.db2.gz RWKCIMNTZFKCTG-UHFFFAOYSA-N 2 1 298.474 3.917 20 0 CHADMP C[N@@H+]1CCC[C@H](C[NH2+]C2CCCC2)[C@@H]1c1cccs1 ZINC000742373149 1129475544 /nfs/dbraw/zinc/47/55/44/1129475544.db2.gz PXHZDSMKCDAIIM-CZUORRHYSA-N 2 1 278.465 3.663 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCCC2)[C@@H]1c1cccs1 ZINC000742373149 1129475546 /nfs/dbraw/zinc/47/55/46/1129475546.db2.gz PXHZDSMKCDAIIM-CZUORRHYSA-N 2 1 278.465 3.663 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC000250520308 1129483072 /nfs/dbraw/zinc/48/30/72/1129483072.db2.gz SLSWYLUJORKMEP-VSZNYVQBSA-N 2 1 278.484 3.665 20 0 CHADMP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)s2)C[C@H](CC)[NH2+]1 ZINC001246178624 1131377598 /nfs/dbraw/zinc/37/75/98/1131377598.db2.gz YXDYHHMFEFULOE-ZSBIGDGJSA-N 2 1 286.872 3.800 20 0 CHADMP C[C@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)C1CCCCC1 ZINC000796276184 1129511111 /nfs/dbraw/zinc/51/11/11/1129511111.db2.gz LIKYYHHAAZSIRL-CYBMUJFWSA-N 2 1 295.496 3.511 20 0 CHADMP F[C@@]1(C[NH2+][C@@H]2CCCC3(CCCCC3)C2)CCC[NH2+]C1 ZINC001246183799 1131381325 /nfs/dbraw/zinc/38/13/25/1131381325.db2.gz UCLNSIVCBWYBMT-WBVHZDCISA-N 2 1 282.447 3.561 20 0 CHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCC3CC3)CC23CC3)cc1 ZINC000647188118 1129555383 /nfs/dbraw/zinc/55/53/83/1129555383.db2.gz PDKYUBKJDIAROX-GOSISDBHSA-N 2 1 284.447 3.573 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCC3CC3)CC23CC3)cc1 ZINC000647188118 1129555386 /nfs/dbraw/zinc/55/53/86/1129555386.db2.gz PDKYUBKJDIAROX-GOSISDBHSA-N 2 1 284.447 3.573 20 0 CHADMP CCC(C)(C)[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344730 1129572045 /nfs/dbraw/zinc/57/20/45/1129572045.db2.gz YBIGXDXSXBQWGR-JQHSSLGASA-N 2 1 288.479 3.746 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000647356283 1129574652 /nfs/dbraw/zinc/57/46/52/1129574652.db2.gz JRAUAIIRVCILFJ-ZKIDJSGLSA-N 2 1 298.474 3.675 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000647356283 1129574655 /nfs/dbraw/zinc/57/46/55/1129574655.db2.gz JRAUAIIRVCILFJ-ZKIDJSGLSA-N 2 1 298.474 3.675 20 0 CHADMP CCCCCOc1ccc(C[NH+]2CCC(C)([NH3+])CC2)cc1 ZINC000647531570 1129579831 /nfs/dbraw/zinc/57/98/31/1129579831.db2.gz GVZRONZPJGRNOW-UHFFFAOYSA-N 2 1 290.451 3.569 20 0 CHADMP c1oc2ccccc2c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544192 1129580776 /nfs/dbraw/zinc/58/07/76/1129580776.db2.gz YAUYBWDWMIIDBV-HZPDHXFCSA-N 2 1 298.430 3.644 20 0 CHADMP Cc1ccccc1[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647883929 1129586971 /nfs/dbraw/zinc/58/69/71/1129586971.db2.gz LDHFLWVCDWUZAG-SFHVURJKSA-N 2 1 286.463 3.564 20 0 CHADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000647874704 1129587185 /nfs/dbraw/zinc/58/71/85/1129587185.db2.gz NNOXKFHZALFVSM-ZDUSSCGKSA-N 2 1 296.405 3.737 20 0 CHADMP CC1([NH3+])CC[NH+](Cc2ccccc2Oc2ccccc2)CC1 ZINC000647924186 1129588251 /nfs/dbraw/zinc/58/82/51/1129588251.db2.gz MCNWHOQHEPFZPB-UHFFFAOYSA-N 2 1 296.414 3.792 20 0 CHADMP C[C@H](c1ccccc1F)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975934 1129590896 /nfs/dbraw/zinc/59/08/96/1129590896.db2.gz HXFYNQPXXKMWSA-OAGGEKHMSA-N 2 1 290.426 3.598 20 0 CHADMP CC1(C)CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000380907219 1129641503 /nfs/dbraw/zinc/64/15/03/1129641503.db2.gz HKZWVYFQCIPZBO-ZWKOTPCHSA-N 2 1 286.463 3.677 20 0 CHADMP CC1(C)CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000380907217 1129641606 /nfs/dbraw/zinc/64/16/06/1129641606.db2.gz HKZWVYFQCIPZBO-QZTJIDSGSA-N 2 1 286.463 3.677 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCC3CC3)C2)s1 ZINC000649603640 1129662140 /nfs/dbraw/zinc/66/21/40/1129662140.db2.gz XVQXTCWUNRJOJX-MRXNPFEDSA-N 2 1 292.492 3.610 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCC3CC3)C2)s1 ZINC000649603640 1129662142 /nfs/dbraw/zinc/66/21/42/1129662142.db2.gz XVQXTCWUNRJOJX-MRXNPFEDSA-N 2 1 292.492 3.610 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCC3CC3)C2)s1 ZINC000649603640 1129662143 /nfs/dbraw/zinc/66/21/43/1129662143.db2.gz XVQXTCWUNRJOJX-MRXNPFEDSA-N 2 1 292.492 3.610 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+](CC(C)(C)C)CC(C)(C)C ZINC001168902115 1129680730 /nfs/dbraw/zinc/68/07/30/1129680730.db2.gz GDPYULXJHWEORH-OAHLLOKOSA-N 2 1 268.489 3.865 20 0 CHADMP CCC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccs1 ZINC001169096069 1129696829 /nfs/dbraw/zinc/69/68/29/1129696829.db2.gz UJPJZIHJCKCRPY-XGUBFFRZSA-N 2 1 278.465 3.804 20 0 CHADMP CC(C)[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC001169100728 1129697807 /nfs/dbraw/zinc/69/78/07/1129697807.db2.gz MAMULAUWASPGRH-ZJPYXAASSA-N 2 1 290.426 3.738 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)c(F)c1 ZINC001169119102 1129700563 /nfs/dbraw/zinc/70/05/63/1129700563.db2.gz QMYCEIDMQXWSRU-VWPFQQQWSA-N 2 1 294.389 3.631 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCCCc3ccccc31)C2 ZINC001169122764 1129700671 /nfs/dbraw/zinc/70/06/71/1129700671.db2.gz CZSXDYNMWXVQAT-VXIBKDFQSA-N 2 1 284.447 3.669 20 0 CHADMP Cc1ccc([C@@H]2CCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169140455 1129701502 /nfs/dbraw/zinc/70/15/02/1129701502.db2.gz KCLXBIVOPWPEBR-RDGPPVDQSA-N 2 1 284.447 3.757 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169140455 1129701505 /nfs/dbraw/zinc/70/15/05/1129701505.db2.gz KCLXBIVOPWPEBR-RDGPPVDQSA-N 2 1 284.447 3.757 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169140455 1129701507 /nfs/dbraw/zinc/70/15/07/1129701507.db2.gz KCLXBIVOPWPEBR-RDGPPVDQSA-N 2 1 284.447 3.757 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC[C@@H]1c1ccccc1)C2 ZINC001169126992 1129701942 /nfs/dbraw/zinc/70/19/42/1129701942.db2.gz ZADHYUNSGHMKMF-YDZRNGNQSA-N 2 1 284.447 3.839 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCC[C@@H]1c1ccccc1)C2 ZINC001169126992 1129701946 /nfs/dbraw/zinc/70/19/46/1129701946.db2.gz ZADHYUNSGHMKMF-YDZRNGNQSA-N 2 1 284.447 3.839 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCC[C@@H]1c1ccccc1)C2 ZINC001169126992 1129701951 /nfs/dbraw/zinc/70/19/51/1129701951.db2.gz ZADHYUNSGHMKMF-YDZRNGNQSA-N 2 1 284.447 3.839 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169109368 1129703015 /nfs/dbraw/zinc/70/30/15/1129703015.db2.gz BFXGQWLJEYUBIY-PILAGYSTSA-N 2 1 272.436 3.525 20 0 CHADMP CC(C)c1ccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169110513 1129703188 /nfs/dbraw/zinc/70/31/88/1129703188.db2.gz LYPWNHQMPHWHSB-LDLYASANSA-N 2 1 286.463 3.567 20 0 CHADMP CC[N@@H+](Cc1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169145221 1129704741 /nfs/dbraw/zinc/70/47/41/1129704741.db2.gz MAIJKHRSKGBBMH-FVQHAEBGSA-N 2 1 292.854 3.787 20 0 CHADMP CC[NH+](Cc1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169145221 1129704745 /nfs/dbraw/zinc/70/47/45/1129704745.db2.gz MAIJKHRSKGBBMH-FVQHAEBGSA-N 2 1 292.854 3.787 20 0 CHADMP CC[NH+](Cc1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169145221 1129704748 /nfs/dbraw/zinc/70/47/48/1129704748.db2.gz MAIJKHRSKGBBMH-FVQHAEBGSA-N 2 1 292.854 3.787 20 0 CHADMP CCc1cccc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)[nH+]1 ZINC001169151700 1129705425 /nfs/dbraw/zinc/70/54/25/1129705425.db2.gz LXZGFWNWCDIKBK-RHSMWYFYSA-N 2 1 275.440 3.600 20 0 CHADMP CCC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1cccc(F)c1 ZINC001169229596 1129710284 /nfs/dbraw/zinc/71/02/84/1129710284.db2.gz DDJHNMAIYVIPND-KRWDZBQOSA-N 2 1 278.415 3.741 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@H](C(C)(C)C)CC2)CC1 ZINC001169230568 1129710319 /nfs/dbraw/zinc/71/03/19/1129710319.db2.gz GGMYKAHOGYFTNA-SHTZXODSSA-N 2 1 266.473 3.665 20 0 CHADMP CC[NH+]1CCC([N@@H+]2CCC[C@H]2C2CCCCC2)CC1 ZINC001169266194 1129712246 /nfs/dbraw/zinc/71/22/46/1129712246.db2.gz UCYOUPSLGSMGLO-KRWDZBQOSA-N 2 1 264.457 3.515 20 0 CHADMP CC[NH+]1CCC([N@H+]2CCC[C@H]2C2CCCCC2)CC1 ZINC001169266194 1129712248 /nfs/dbraw/zinc/71/22/48/1129712248.db2.gz UCYOUPSLGSMGLO-KRWDZBQOSA-N 2 1 264.457 3.515 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccc3ccsc3c2)CCC[C@@H]1C[NH3+] ZINC001206013075 1129738360 /nfs/dbraw/zinc/73/83/60/1129738360.db2.gz PELVTRXVTOOVMD-CZUORRHYSA-N 2 1 288.460 3.708 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCCC[C@H]2C)C1 ZINC000651706117 1129745033 /nfs/dbraw/zinc/74/50/33/1129745033.db2.gz TUBYIHJEDTZSGA-IXDOHACOSA-N 2 1 266.473 3.665 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652173363 1129759425 /nfs/dbraw/zinc/75/94/25/1129759425.db2.gz GKDPPIPXMVAHMO-LJQANCHMSA-N 2 1 299.462 3.555 20 0 CHADMP Cc1ccc(C2=CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000767360972 1129788129 /nfs/dbraw/zinc/78/81/29/1129788129.db2.gz LUOJLBDLLOJVNJ-IBGZPJMESA-N 2 1 284.447 3.568 20 0 CHADMP Cc1ccc(C2=CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000767360972 1129788130 /nfs/dbraw/zinc/78/81/30/1129788130.db2.gz LUOJLBDLLOJVNJ-IBGZPJMESA-N 2 1 284.447 3.568 20 0 CHADMP Cc1ccc(C2=CC[N@H+](CC[C@@H]3CCC[NH+]3C)CC2)cc1 ZINC000767360972 1129788133 /nfs/dbraw/zinc/78/81/33/1129788133.db2.gz LUOJLBDLLOJVNJ-IBGZPJMESA-N 2 1 284.447 3.568 20 0 CHADMP Cc1ccc(C2=CC[N@@H+](CC[C@@H]3CCC[NH+]3C)CC2)cc1 ZINC000767360972 1129788134 /nfs/dbraw/zinc/78/81/34/1129788134.db2.gz LUOJLBDLLOJVNJ-IBGZPJMESA-N 2 1 284.447 3.568 20 0 CHADMP CCc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)ccc1Cl ZINC001206026683 1129830833 /nfs/dbraw/zinc/83/08/33/1129830833.db2.gz TYIZMMDAZRDKIO-XJKSGUPXSA-N 2 1 294.870 3.709 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000381983705 1129853459 /nfs/dbraw/zinc/85/34/59/1129853459.db2.gz NNJBOAXRXVCXEJ-QRQLOZEOSA-N 2 1 286.463 3.677 20 0 CHADMP CC[N@@H+](CCC[NH2+][C@H]1C[C@@H]2CCC[C@@H]21)C1CCCCC1 ZINC001206559790 1129855421 /nfs/dbraw/zinc/85/54/21/1129855421.db2.gz HCPOHFLVYLDXSV-SZMVWBNQSA-N 2 1 278.484 3.809 20 0 CHADMP CCC[NH+]1CCC([N@H+](C)Cc2cncc3ccccc32)CC1 ZINC000768920175 1129881178 /nfs/dbraw/zinc/88/11/78/1129881178.db2.gz HZMWWANMRABIMO-UHFFFAOYSA-N 2 1 297.446 3.541 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)Cc2cncc3ccccc32)CC1 ZINC000768920175 1129881185 /nfs/dbraw/zinc/88/11/85/1129881185.db2.gz HZMWWANMRABIMO-UHFFFAOYSA-N 2 1 297.446 3.541 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CS1 ZINC001461459804 1129927718 /nfs/dbraw/zinc/92/77/18/1129927718.db2.gz GHGSNHADOCVVJE-INMHGKMJSA-N 2 1 296.524 3.657 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CS1 ZINC001461459804 1129927721 /nfs/dbraw/zinc/92/77/21/1129927721.db2.gz GHGSNHADOCVVJE-INMHGKMJSA-N 2 1 296.524 3.657 20 0 CHADMP CC[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000902414525 1130007395 /nfs/dbraw/zinc/00/73/95/1130007395.db2.gz CILUGUOVHPFZNK-GFCCVEGCSA-N 2 1 273.207 3.525 20 0 CHADMP Cc1ccccc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903055541 1130106124 /nfs/dbraw/zinc/10/61/24/1130106124.db2.gz IMUKHMCRIRQXAL-DUZACMNTSA-N 2 1 284.447 3.803 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903074617 1130108861 /nfs/dbraw/zinc/10/88/61/1130108861.db2.gz ODNBJYZWSWLFCM-NMACRGETSA-N 2 1 284.447 3.803 20 0 CHADMP C[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903159211 1130120493 /nfs/dbraw/zinc/12/04/93/1130120493.db2.gz XCHCLWURESMXLH-XILPPMENSA-N 2 1 276.468 3.703 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CCC(F)CC1 ZINC000903202536 1130129384 /nfs/dbraw/zinc/12/93/84/1130129384.db2.gz DFBXSQRWBCRMIF-KNQWGIKESA-N 2 1 294.458 3.651 20 0 CHADMP CC[C@@H](c1ccccc1)[N@@H+](CC)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903431291 1130176847 /nfs/dbraw/zinc/17/68/47/1130176847.db2.gz RCXHZTZRLYKTST-PVAVHDDUSA-N 2 1 260.425 3.587 20 0 CHADMP Cc1cccc([C@@H]2CCC[N@@H+]2CC2CC[NH+](C)CC2)c1C ZINC000788481717 1130190629 /nfs/dbraw/zinc/19/06/29/1130190629.db2.gz RZECWYVEYLYBLX-IBGZPJMESA-N 2 1 286.463 3.782 20 0 CHADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000788482446 1130193021 /nfs/dbraw/zinc/19/30/21/1130193021.db2.gz WKBSFXIREYNBOI-FUHWJXTLSA-N 2 1 286.463 3.515 20 0 CHADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCc1cccc3ccccc31)C2 ZINC000903843739 1130205705 /nfs/dbraw/zinc/20/57/05/1130205705.db2.gz ROBZPDAIUZRKSG-SNRMKQJTSA-N 2 1 294.442 3.584 20 0 CHADMP C([NH2+]C1CC2(CCC2)C1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001462160059 1130210425 /nfs/dbraw/zinc/21/04/25/1130210425.db2.gz AQMACASQUYMAST-QGZVFWFLSA-N 2 1 276.468 3.706 20 0 CHADMP C[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001170092198 1130217253 /nfs/dbraw/zinc/21/72/53/1130217253.db2.gz LZQGZPQKEJLDQS-ZMHJYQQXSA-N 2 1 298.474 3.960 20 0 CHADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@H](C(C)(C)C)CC2)CC1 ZINC001254505871 1130257330 /nfs/dbraw/zinc/25/73/30/1130257330.db2.gz KGNWZXMBMOORLJ-JYJNAYRXSA-N 2 1 266.473 3.665 20 0 CHADMP CCc1ccc([C@@H](CC)[NH2+][C@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254513638 1130257733 /nfs/dbraw/zinc/25/77/33/1130257733.db2.gz DXZFBSZLLSGKST-ZWKOTPCHSA-N 2 1 274.452 3.774 20 0 CHADMP C[C@@H]1CC[C@@H]([N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170118446 1130275937 /nfs/dbraw/zinc/27/59/37/1130275937.db2.gz SJMMYULLIMMSEG-NXWXRZEISA-N 2 1 286.463 3.947 20 0 CHADMP CC(C)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H]1C ZINC000677519594 1130315167 /nfs/dbraw/zinc/31/51/67/1130315167.db2.gz KRIMJWQXYDBJMN-JCECYMMASA-N 2 1 278.484 3.664 20 0 CHADMP C[C@H]1CC[C@H]([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)C1 ZINC001170150702 1130359408 /nfs/dbraw/zinc/35/94/08/1130359408.db2.gz OLXKMFMLLQRSLV-JXFKEZNVSA-N 2 1 298.474 3.698 20 0 CHADMP C[C@H]1CC[C@H]([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)C1 ZINC001170150702 1130359413 /nfs/dbraw/zinc/35/94/13/1130359413.db2.gz OLXKMFMLLQRSLV-JXFKEZNVSA-N 2 1 298.474 3.698 20 0 CHADMP C[C@@H]1CC[C@H]([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)C1 ZINC001170153325 1130363055 /nfs/dbraw/zinc/36/30/55/1130363055.db2.gz ZYPCEPXGEZDFTH-TWMKSMIVSA-N 2 1 264.457 3.514 20 0 CHADMP C[C@@H]1CC[C@H]([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)C1 ZINC001170153325 1130363060 /nfs/dbraw/zinc/36/30/60/1130363060.db2.gz ZYPCEPXGEZDFTH-TWMKSMIVSA-N 2 1 264.457 3.514 20 0 CHADMP C[C@@H]1CC[C@H]([N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)C1 ZINC001170153325 1130363052 /nfs/dbraw/zinc/36/30/52/1130363052.db2.gz ZYPCEPXGEZDFTH-TWMKSMIVSA-N 2 1 264.457 3.514 20 0 CHADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C)nc2C)CC1 ZINC000678415365 1130413183 /nfs/dbraw/zinc/41/31/83/1130413183.db2.gz BHEXXKMTCRNGIY-MRXNPFEDSA-N 2 1 289.467 3.614 20 0 CHADMP C[C@@H]1CC[C@@H]([N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)C1 ZINC001170160517 1130415434 /nfs/dbraw/zinc/41/54/34/1130415434.db2.gz IGRTWJDYNLDLDX-CRAIPNDOSA-N 2 1 278.484 3.904 20 0 CHADMP CCCC1CCC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000678497165 1130422792 /nfs/dbraw/zinc/42/27/92/1130422792.db2.gz KWLXGWOJIWFBFY-HIEASXQVSA-N 2 1 278.484 3.809 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2c3ccccc3CC[C@H]2C)C1 ZINC000678767553 1130450500 /nfs/dbraw/zinc/45/05/00/1130450500.db2.gz NEEZRWRRDITVCO-GPMSIDNRSA-N 2 1 286.463 3.632 20 0 CHADMP C[C@@H](Cc1ccccc1Cl)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001170285577 1130479947 /nfs/dbraw/zinc/47/99/47/1130479947.db2.gz SJXAIHAXMYWPSH-AWEZNQCLSA-N 2 1 294.870 3.545 20 0 CHADMP Cc1cccc(C2([NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)CCCC2)c1 ZINC000679127506 1130495057 /nfs/dbraw/zinc/49/50/57/1130495057.db2.gz CWTRGXLKANFWLR-AEFFLSMTSA-N 2 1 286.463 3.837 20 0 CHADMP Cc1cccc(C2([NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)CCCC2)c1 ZINC000679127506 1130495062 /nfs/dbraw/zinc/49/50/62/1130495062.db2.gz CWTRGXLKANFWLR-AEFFLSMTSA-N 2 1 286.463 3.837 20 0 CHADMP CC1=C[C@@H](C)C[C@@H](C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)C1 ZINC000811500556 1130617652 /nfs/dbraw/zinc/61/76/52/1130617652.db2.gz GUWNBSZZXSNNFK-SJLPKXTDSA-N 2 1 290.495 3.787 20 0 CHADMP CC(C)CC[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001256366978 1130625296 /nfs/dbraw/zinc/62/52/96/1130625296.db2.gz USMNQGPPZMABPE-PMPSAXMXSA-N 2 1 254.462 3.520 20 0 CHADMP C[N@@H+](C1CCCCC1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256568840 1130676868 /nfs/dbraw/zinc/67/68/68/1130676868.db2.gz HLQIXESGXKALNZ-UHFFFAOYSA-N 2 1 252.446 3.514 20 0 CHADMP C[C@H](CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)CC(C)(C)C ZINC001234991484 1130700723 /nfs/dbraw/zinc/70/07/23/1130700723.db2.gz HUCMWJKKJBRRKL-WBVHZDCISA-N 2 1 266.473 3.524 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234992207 1130700747 /nfs/dbraw/zinc/70/07/47/1130700747.db2.gz JWEANHIOUSJMIK-CWIOURORSA-N 2 1 264.457 3.589 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(C)c1Cl ZINC001234999014 1130701230 /nfs/dbraw/zinc/70/12/30/1130701230.db2.gz QEPZVMWJDCKYHE-QGZVFWFLSA-N 2 1 292.854 3.532 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(C)c1Cl ZINC001234999014 1130701235 /nfs/dbraw/zinc/70/12/35/1130701235.db2.gz QEPZVMWJDCKYHE-QGZVFWFLSA-N 2 1 292.854 3.532 20 0 CHADMP C[C@@H](C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)c1cccc2ccccc21 ZINC001235033272 1130702805 /nfs/dbraw/zinc/70/28/05/1130702805.db2.gz XBJLMLOFNMRNFW-OXJNMPFZSA-N 2 1 294.442 3.629 20 0 CHADMP c1cc(-c2cccc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)c2)cs1 ZINC001235034117 1130702987 /nfs/dbraw/zinc/70/29/87/1130702987.db2.gz VJWCSIDAVCMRJD-SFHVURJKSA-N 2 1 298.455 3.601 20 0 CHADMP c1ccc(-c2ccccc2C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235034256 1130703689 /nfs/dbraw/zinc/70/36/89/1130703689.db2.gz WAOXMZVTZAREKV-HXUWFJFHSA-N 2 1 292.426 3.539 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc(C)c1F ZINC001235042306 1130705153 /nfs/dbraw/zinc/70/51/53/1130705153.db2.gz AIMBAQFFXJNBFO-SFHVURJKSA-N 2 1 290.426 3.551 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1Cl ZINC001235042405 1130705767 /nfs/dbraw/zinc/70/57/67/1130705767.db2.gz BPKTZBLYIKJUGQ-QGZVFWFLSA-N 2 1 292.854 3.757 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1Cl ZINC001235042405 1130705770 /nfs/dbraw/zinc/70/57/70/1130705770.db2.gz BPKTZBLYIKJUGQ-QGZVFWFLSA-N 2 1 292.854 3.757 20 0 CHADMP CCCC[C@@H](CC)C[N@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001235088679 1130709398 /nfs/dbraw/zinc/70/93/98/1130709398.db2.gz NVTUULMDHYCLDD-HUUCEWRRSA-N 2 1 288.426 3.524 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3CCC34CC[NH2+]CC4)cc2)o1 ZINC001235101812 1130709963 /nfs/dbraw/zinc/70/99/63/1130709963.db2.gz GKFDQWKVAIGUIA-UHFFFAOYSA-N 2 1 296.414 3.583 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CCC34CC[NH2+]CC4)cc2)o1 ZINC001235101812 1130709966 /nfs/dbraw/zinc/70/99/66/1130709966.db2.gz GKFDQWKVAIGUIA-UHFFFAOYSA-N 2 1 296.414 3.583 20 0 CHADMP C(CC1CCCC1)C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235152982 1130715714 /nfs/dbraw/zinc/71/57/14/1130715714.db2.gz QIXMWYDMDWRHBV-GOSISDBHSA-N 2 1 278.484 3.811 20 0 CHADMP c1cc2cccc(C[N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)c2[nH]1 ZINC001235156336 1130716535 /nfs/dbraw/zinc/71/65/35/1130716535.db2.gz GBLHERGASNCSSQ-GOSISDBHSA-N 2 1 297.446 3.522 20 0 CHADMP Cc1cc(CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)o1 ZINC000781417441 1130716837 /nfs/dbraw/zinc/71/68/37/1130716837.db2.gz VFJPGZBQMIGZFB-GDBMZVCRSA-N 2 1 290.451 3.639 20 0 CHADMP Cc1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)o1 ZINC000781417441 1130716840 /nfs/dbraw/zinc/71/68/40/1130716840.db2.gz VFJPGZBQMIGZFB-GDBMZVCRSA-N 2 1 290.451 3.639 20 0 CHADMP Cc1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)o1 ZINC000781417441 1130716847 /nfs/dbraw/zinc/71/68/47/1130716847.db2.gz VFJPGZBQMIGZFB-GDBMZVCRSA-N 2 1 290.451 3.639 20 0 CHADMP c1ccc(CCCC[N@H+]2CCCC[C@]23CCC[NH2+]C3)cc1 ZINC001235172992 1130718256 /nfs/dbraw/zinc/71/82/56/1130718256.db2.gz OLZIVGYHHYIDCG-LJQANCHMSA-N 2 1 286.463 3.617 20 0 CHADMP c1cc2cccc(C[N@H+]3CCCCC34CC[NH2+]CC4)c2o1 ZINC001235190632 1130720564 /nfs/dbraw/zinc/72/05/64/1130720564.db2.gz GPOWBQKNTSJZPX-UHFFFAOYSA-N 2 1 284.403 3.541 20 0 CHADMP CC(C)=CCCC1=CC[C@H](C[N@@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC001235188615 1130721404 /nfs/dbraw/zinc/72/14/04/1130721404.db2.gz UIILNZSHJRFLLA-GBESFXJTSA-N 2 1 288.479 3.753 20 0 CHADMP CC(C)=CCCC1=CC[C@H](C[N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC001235188615 1130721407 /nfs/dbraw/zinc/72/14/07/1130721407.db2.gz UIILNZSHJRFLLA-GBESFXJTSA-N 2 1 288.479 3.753 20 0 CHADMP CC(C)(C)CC[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235248715 1130726836 /nfs/dbraw/zinc/72/68/36/1130726836.db2.gz YZQFUQYNXJEOKU-IEBWSBKVSA-N 2 1 286.463 3.644 20 0 CHADMP CC/C=C\CCC[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235248571 1130726974 /nfs/dbraw/zinc/72/69/74/1130726974.db2.gz VXKGYUMJXSGIJI-JGAFRWBPSA-N 2 1 298.474 3.954 20 0 CHADMP CC/C=C\CCC[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235248571 1130726979 /nfs/dbraw/zinc/72/69/79/1130726979.db2.gz VXKGYUMJXSGIJI-JGAFRWBPSA-N 2 1 298.474 3.954 20 0 CHADMP c1ccc([C@H]2C[NH2+]C[C@]23CCC[N@@H+]3CC2CCCCC2)cc1 ZINC001235248193 1130727925 /nfs/dbraw/zinc/72/79/25/1130727925.db2.gz PDTWQTGJRLSHSQ-WOJBJXKFSA-N 2 1 298.474 3.788 20 0 CHADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1cccc(-c3ccccc3)c1)C2 ZINC001235244500 1130728016 /nfs/dbraw/zinc/72/80/16/1130728016.db2.gz GEZKYXHYWSMSIJ-WOJBJXKFSA-N 2 1 292.426 3.667 20 0 CHADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc(-c3ccccc3)c1)C2 ZINC001235244500 1130728017 /nfs/dbraw/zinc/72/80/17/1130728017.db2.gz GEZKYXHYWSMSIJ-WOJBJXKFSA-N 2 1 292.426 3.667 20 0 CHADMP c1cc(C2CCCCC2)ccc1C[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235342184 1130733452 /nfs/dbraw/zinc/73/34/52/1130733452.db2.gz URIUVFKDXUNHJF-IBGZPJMESA-N 2 1 298.474 3.776 20 0 CHADMP CC/C=C\CC[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235366869 1130736655 /nfs/dbraw/zinc/73/66/55/1130736655.db2.gz RWISRRSGLNNBJI-JGAFRWBPSA-N 2 1 298.474 3.596 20 0 CHADMP CCC(CC)C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235377799 1130736702 /nfs/dbraw/zinc/73/67/02/1130736702.db2.gz DHJJCNSAGLMAQS-MOPGFXCFSA-N 2 1 286.463 3.502 20 0 CHADMP CCC[C@@H](C)C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235379331 1130737504 /nfs/dbraw/zinc/73/75/04/1130737504.db2.gz ODBDEYSXFDNWAF-QRQLOZEOSA-N 2 1 286.463 3.502 20 0 CHADMP CC/C=C\CC[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235366872 1130737937 /nfs/dbraw/zinc/73/79/37/1130737937.db2.gz RWISRRSGLNNBJI-QZPVUJMKSA-N 2 1 298.474 3.596 20 0 CHADMP C(CC1CCCC1)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235424006 1130741328 /nfs/dbraw/zinc/74/13/28/1130741328.db2.gz IOGADNRBEPEMKD-MSOLQXFVSA-N 2 1 278.484 3.668 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)sc1C ZINC001235428683 1130741619 /nfs/dbraw/zinc/74/16/19/1130741619.db2.gz RBXHQTZEEGRNTF-HZPDHXFCSA-N 2 1 292.492 3.577 20 0 CHADMP Clc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235424840 1130741802 /nfs/dbraw/zinc/74/18/02/1130741802.db2.gz KODAWSSPOXLUDZ-HZPDHXFCSA-N 2 1 292.854 3.552 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC001235425573 1130742385 /nfs/dbraw/zinc/74/23/85/1130742385.db2.gz LXYFJEVWCBEVDZ-IEBWSBKVSA-N 2 1 286.463 3.515 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+](C)C1CC[NH2+]CC1 ZINC001235465916 1130746644 /nfs/dbraw/zinc/74/66/44/1130746644.db2.gz KOHDFTARFFAPFI-UHFFFAOYSA-N 2 1 294.442 3.846 20 0 CHADMP CC(C)c1cc(C[N@@H+](C)C2CC[NH2+]CC2)ccc1Cl ZINC001235467258 1130746856 /nfs/dbraw/zinc/74/68/56/1130746856.db2.gz XPFSBDCITFWTTK-UHFFFAOYSA-N 2 1 280.843 3.647 20 0 CHADMP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000782183618 1130757385 /nfs/dbraw/zinc/75/73/85/1130757385.db2.gz NUDMZLHPRPWRSE-AWEZNQCLSA-N 2 1 286.419 3.767 20 0 CHADMP C[C@@H]1CCCCC[N@H+]1Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001235660921 1130761894 /nfs/dbraw/zinc/76/18/94/1130761894.db2.gz IMEGNNBHKIORBG-OAHLLOKOSA-N 2 1 297.446 3.509 20 0 CHADMP C[C@H]1CCCCC[N@H+]1Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001235660920 1130762287 /nfs/dbraw/zinc/76/22/87/1130762287.db2.gz IMEGNNBHKIORBG-HNNXBMFYSA-N 2 1 297.446 3.509 20 0 CHADMP CCCC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC001235663951 1130763793 /nfs/dbraw/zinc/76/37/93/1130763793.db2.gz OPBHINZJRJTNOY-QGZVFWFLSA-N 2 1 274.452 3.678 20 0 CHADMP FC1(C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC001235673148 1130764395 /nfs/dbraw/zinc/76/43/95/1130764395.db2.gz CCPVBIRCUXPEHS-OAHLLOKOSA-N 2 1 296.817 3.569 20 0 CHADMP c1ccc([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001235674827 1130765684 /nfs/dbraw/zinc/76/56/84/1130765684.db2.gz PUVNYYDFHVEKRO-LJQANCHMSA-N 2 1 278.399 3.627 20 0 CHADMP Cc1ccc([C@H]2CCC[N@H+]2CC2CC3(C2)CC[NH2+]CC3)cc1 ZINC001235678826 1130768154 /nfs/dbraw/zinc/76/81/54/1130768154.db2.gz GFDIHTMHCYXVCZ-LJQANCHMSA-N 2 1 298.474 3.912 20 0 CHADMP c1cc([C@@H]2CCC[N@H+]2CCC[NH2+]C2CCCCC2)ccn1 ZINC001235691711 1130770686 /nfs/dbraw/zinc/77/06/86/1130770686.db2.gz MJGUNELNRMFQKT-SFHVURJKSA-N 2 1 287.451 3.531 20 0 CHADMP c1cc([C@@H]2CCC[N@@H+]2CCC[NH2+]C2CCCCC2)ccn1 ZINC001235691711 1130770693 /nfs/dbraw/zinc/77/06/93/1130770693.db2.gz MJGUNELNRMFQKT-SFHVURJKSA-N 2 1 287.451 3.531 20 0 CHADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC001235716097 1130771298 /nfs/dbraw/zinc/77/12/98/1130771298.db2.gz YSRGMTFDJMQHAC-GOSISDBHSA-N 2 1 284.378 3.622 20 0 CHADMP CCc1cccc2c(C[N@@H+](C)CCC3CC[NH2+]CC3)c[nH]c21 ZINC001235716926 1130771932 /nfs/dbraw/zinc/77/19/32/1130771932.db2.gz NGEGTSIISFFGMY-UHFFFAOYSA-N 2 1 299.462 3.552 20 0 CHADMP CC[NH2+]C1CC[NH+](Cc2cccc(-c3ccccc3)c2)CC1 ZINC001235726957 1130772935 /nfs/dbraw/zinc/77/29/35/1130772935.db2.gz SNXMQXALWLSIDI-UHFFFAOYSA-N 2 1 294.442 3.928 20 0 CHADMP Cc1cccc(-c2ccc(C[N@@H+](C)C[C@H]3CC[NH2+]C3)cc2)c1 ZINC001235842916 1130786471 /nfs/dbraw/zinc/78/64/71/1130786471.db2.gz UETMOFNUTBATMQ-SFHVURJKSA-N 2 1 294.442 3.703 20 0 CHADMP Cc1csc2sc(C[N@@H+](C)C[C@@H]3CC[NH2+]C3)c(C)c12 ZINC001235841642 1130787483 /nfs/dbraw/zinc/78/74/83/1130787483.db2.gz GPKKUWGJKZYTQY-GFCCVEGCSA-N 2 1 294.489 3.621 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1C[C@H]([NH3+])CC[C@@H]1C ZINC001235900790 1130799525 /nfs/dbraw/zinc/79/95/25/1130799525.db2.gz BTPLTPBMGMELBA-FUHWJXTLSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1C[C@H]([NH3+])CC[C@@H]1C ZINC001235900790 1130799529 /nfs/dbraw/zinc/79/95/29/1130799529.db2.gz BTPLTPBMGMELBA-FUHWJXTLSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+]1C[C@H]([NH3+])CC[C@@H]1C ZINC001235907721 1130802715 /nfs/dbraw/zinc/80/27/15/1130802715.db2.gz SRQNAMQGILIHSO-WCQYABFASA-N 2 1 274.433 3.521 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+]1C[C@H]([NH3+])CC[C@@H]1C ZINC001235907721 1130802719 /nfs/dbraw/zinc/80/27/19/1130802719.db2.gz SRQNAMQGILIHSO-WCQYABFASA-N 2 1 274.433 3.521 20 0 CHADMP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccccc1-c1ccccc1 ZINC001235906869 1130803278 /nfs/dbraw/zinc/80/32/78/1130803278.db2.gz OZXZIDCWXSTSBK-QAPCUYQASA-N 2 1 280.415 3.665 20 0 CHADMP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccccc1-c1ccccc1 ZINC001235906869 1130803281 /nfs/dbraw/zinc/80/32/81/1130803281.db2.gz OZXZIDCWXSTSBK-QAPCUYQASA-N 2 1 280.415 3.665 20 0 CHADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2)s1 ZINC001235925494 1130806179 /nfs/dbraw/zinc/80/61/79/1130806179.db2.gz QURWYVLNIWQGIB-HNNXBMFYSA-N 2 1 286.444 3.728 20 0 CHADMP C[C@H](C[N@H+]1CCC[C@H]1CC[NH3+])c1cccc2ccccc21 ZINC001235925556 1130806249 /nfs/dbraw/zinc/80/62/49/1130806249.db2.gz UYWKIEFCJASQNQ-WBVHZDCISA-N 2 1 282.431 3.757 20 0 CHADMP Clc1ccc([C@H]2CC[N@@H+](CC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001235946718 1130812111 /nfs/dbraw/zinc/81/21/11/1130812111.db2.gz AGFBJVVVIJPTNZ-DOTOQJQBSA-N 2 1 292.854 3.662 20 0 CHADMP C[C@@H](C[N@@H+](C)C[C@H]1CCC[NH2+]C1)c1cccc2ccccc21 ZINC001235952003 1130814673 /nfs/dbraw/zinc/81/46/73/1130814673.db2.gz WTCGRUOPISKWTD-IRXDYDNUSA-N 2 1 296.458 3.875 20 0 CHADMP Clc1cccc([C@@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)c1 ZINC001235949774 1130814754 /nfs/dbraw/zinc/81/47/54/1130814754.db2.gz HQJMTLMNYYSZPW-MRXNPFEDSA-N 2 1 292.854 3.519 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235951965 1130814830 /nfs/dbraw/zinc/81/48/30/1130814830.db2.gz WKLDPZZMYCQVHB-SJORKVTESA-N 2 1 266.473 3.690 20 0 CHADMP C[NH2+]CCC[N@H+](C)Cc1ccc(Oc2ccccc2)cc1 ZINC001235949492 1130815751 /nfs/dbraw/zinc/81/57/51/1130815751.db2.gz APWZYTFQHARJBE-UHFFFAOYSA-N 2 1 284.403 3.520 20 0 CHADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(Oc2ccccc2)cc1 ZINC001235949492 1130815759 /nfs/dbraw/zinc/81/57/59/1130815759.db2.gz APWZYTFQHARJBE-UHFFFAOYSA-N 2 1 284.403 3.520 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+](C)CC1CC2(C1)CC[NH2+]CC2 ZINC001235959294 1130816184 /nfs/dbraw/zinc/81/61/84/1130816184.db2.gz GSJOJEUHUQHQBO-GOSISDBHSA-N 2 1 286.463 3.849 20 0 CHADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)cc1 ZINC001235959746 1130817381 /nfs/dbraw/zinc/81/73/81/1130817381.db2.gz JWMLUPMRXZJZLE-HXUWFJFHSA-N 2 1 294.442 3.915 20 0 CHADMP c1ccc([C@H]2CCC[N@H+](CC[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235960629 1130818883 /nfs/dbraw/zinc/81/88/83/1130818883.db2.gz VJJGNEOBGAJUKD-OALUTQOASA-N 2 1 286.463 3.788 20 0 CHADMP C(C[NH2+]C1CCCCC1)C[NH+]1CC2(C1)CCCCC2 ZINC001235994729 1130825681 /nfs/dbraw/zinc/82/56/81/1130825681.db2.gz VZLVEWBXWHQUTL-UHFFFAOYSA-N 2 1 264.457 3.565 20 0 CHADMP C[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001236049833 1130839412 /nfs/dbraw/zinc/83/94/12/1130839412.db2.gz QTOHLGXVSGFILB-KDOFPFPSSA-N 2 1 298.405 3.662 20 0 CHADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001236049833 1130839414 /nfs/dbraw/zinc/83/94/14/1130839414.db2.gz QTOHLGXVSGFILB-KDOFPFPSSA-N 2 1 298.405 3.662 20 0 CHADMP CC[C@H]1c2ccccc2CC[N@@H+]1Cc1cccc(C[NH3+])c1 ZINC001236059741 1130842682 /nfs/dbraw/zinc/84/26/82/1130842682.db2.gz KQIOANRMOOTCBD-IBGZPJMESA-N 2 1 280.415 3.655 20 0 CHADMP CCCCCCc1ccc(C[N@H+]2CC[C@H](C[NH2+]C)C2)s1 ZINC001236065496 1130846456 /nfs/dbraw/zinc/84/64/56/1130846456.db2.gz ASXMFRMMPCSYCS-OAHLLOKOSA-N 2 1 294.508 3.912 20 0 CHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2sc3scc(C)c3c2C)C1 ZINC001236067199 1130846489 /nfs/dbraw/zinc/84/64/89/1130846489.db2.gz NSMLKTOMBCPOMO-GFCCVEGCSA-N 2 1 294.489 3.621 20 0 CHADMP CC[C@@H]([NH3+])C[N@H+](C)CCC(c1ccccc1)c1ccccc1 ZINC001236092084 1130858140 /nfs/dbraw/zinc/85/81/40/1130858140.db2.gz GEKRSSLRKVDPAV-LJQANCHMSA-N 2 1 296.458 3.878 20 0 CHADMP CC[C@@H]([NH3+])C[N@@H+](C)CCC(c1ccccc1)c1ccccc1 ZINC001236092084 1130858144 /nfs/dbraw/zinc/85/81/44/1130858144.db2.gz GEKRSSLRKVDPAV-LJQANCHMSA-N 2 1 296.458 3.878 20 0 CHADMP Cc1ccc(-c2cccc(C[N@@H+](C)CCCC[NH3+])c2)cc1 ZINC001236142221 1130874363 /nfs/dbraw/zinc/87/43/63/1130874363.db2.gz STSQCBHNRAKYCQ-UHFFFAOYSA-N 2 1 282.431 3.833 20 0 CHADMP CCCCCCOc1ccccc1C[N@@H+](C)CCCC[NH3+] ZINC001236141720 1130874354 /nfs/dbraw/zinc/87/43/54/1130874354.db2.gz KREXYRAMXWTJSR-UHFFFAOYSA-N 2 1 292.467 3.816 20 0 CHADMP [NH3+]CCCCC[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001236153019 1130876825 /nfs/dbraw/zinc/87/68/25/1130876825.db2.gz XPCUJYOUDWAEAW-HNNXBMFYSA-N 2 1 266.816 3.606 20 0 CHADMP CCC[N@@H+](Cc1cccc(Cl)c1C)C1CC[NH2+]CC1 ZINC001236183961 1130882234 /nfs/dbraw/zinc/88/22/34/1130882234.db2.gz CVUDHHZKIVUFBQ-UHFFFAOYSA-N 2 1 280.843 3.612 20 0 CHADMP c1[nH]c2ccccc2c1[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001236191089 1130883252 /nfs/dbraw/zinc/88/32/52/1130883252.db2.gz KEHJJUAWNMXUHN-BEFAXECRSA-N 2 1 297.446 3.695 20 0 CHADMP C[N@H+](Cc1ccc(F)c2ccccc12)[C@@]1(C)CCC[NH2+]C1 ZINC001236204719 1130886093 /nfs/dbraw/zinc/88/60/93/1130886093.db2.gz AQQXZWNHULWUMP-SFHVURJKSA-N 2 1 286.394 3.553 20 0 CHADMP C[N@@H+](Cc1ccc(F)c2ccccc12)[C@@]1(C)CCC[NH2+]C1 ZINC001236204719 1130886097 /nfs/dbraw/zinc/88/60/97/1130886097.db2.gz AQQXZWNHULWUMP-SFHVURJKSA-N 2 1 286.394 3.553 20 0 CHADMP CCCCOc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236210314 1130887485 /nfs/dbraw/zinc/88/74/85/1130887485.db2.gz AUSFPPDWIKELMW-QZTJIDSGSA-N 2 1 290.451 3.567 20 0 CHADMP CCCCOc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236210314 1130887490 /nfs/dbraw/zinc/88/74/90/1130887490.db2.gz AUSFPPDWIKELMW-QZTJIDSGSA-N 2 1 290.451 3.567 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2scc(C)c2Cl)CC1 ZINC001236212134 1130890046 /nfs/dbraw/zinc/89/00/46/1130890046.db2.gz FEGISTHVXIXAGT-UHFFFAOYSA-N 2 1 286.872 3.672 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(F)c(C3CC3)c2)CC1 ZINC001236214311 1130891406 /nfs/dbraw/zinc/89/14/06/1130891406.db2.gz AUHUPWJCXDDCME-UHFFFAOYSA-N 2 1 290.426 3.666 20 0 CHADMP CC(C)c1cccc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC001236214069 1130891690 /nfs/dbraw/zinc/89/16/90/1130891690.db2.gz DUKJBQMQIXDRBZ-IAGOWNOFSA-N 2 1 260.425 3.512 20 0 CHADMP CC(C)c1cccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC001236214069 1130891695 /nfs/dbraw/zinc/89/16/95/1130891695.db2.gz DUKJBQMQIXDRBZ-IAGOWNOFSA-N 2 1 260.425 3.512 20 0 CHADMP C[N@H+](Cc1csc2ccccc12)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236220287 1130893506 /nfs/dbraw/zinc/89/35/06/1130893506.db2.gz YRBDECHRCXURMT-HUUCEWRRSA-N 2 1 274.433 3.603 20 0 CHADMP C[N@@H+](Cc1csc2ccccc12)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236220287 1130893512 /nfs/dbraw/zinc/89/35/12/1130893512.db2.gz YRBDECHRCXURMT-HUUCEWRRSA-N 2 1 274.433 3.603 20 0 CHADMP C[N@H+](Cc1ccc2ccsc2c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219491 1130893730 /nfs/dbraw/zinc/89/37/30/1130893730.db2.gz WWJKFEAHZRPULM-HUUCEWRRSA-N 2 1 274.433 3.603 20 0 CHADMP C[N@@H+](Cc1ccc2ccsc2c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219491 1130893735 /nfs/dbraw/zinc/89/37/35/1130893735.db2.gz WWJKFEAHZRPULM-HUUCEWRRSA-N 2 1 274.433 3.603 20 0 CHADMP C[N@H+](Cc1ccc2ccsc2c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219489 1130893910 /nfs/dbraw/zinc/89/39/10/1130893910.db2.gz WWJKFEAHZRPULM-CABCVRRESA-N 2 1 274.433 3.603 20 0 CHADMP C[N@@H+](Cc1ccc2ccsc2c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219489 1130893916 /nfs/dbraw/zinc/89/39/16/1130893916.db2.gz WWJKFEAHZRPULM-CABCVRRESA-N 2 1 274.433 3.603 20 0 CHADMP [NH3+]C1CCC([N@@H+](CCC2CC2)Cc2ccccc2)CC1 ZINC001236227846 1130896127 /nfs/dbraw/zinc/89/61/27/1130896127.db2.gz NOSTUDMJPPISOW-UHFFFAOYSA-N 2 1 272.436 3.559 20 0 CHADMP C[N@@H+](Cc1ccc(Cl)c(Cl)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236224099 1130898158 /nfs/dbraw/zinc/89/81/58/1130898158.db2.gz SEASZSSIWKBJAC-HAQNSBGRSA-N 2 1 287.234 3.695 20 0 CHADMP CC[C@H]([NH3+])C[N@@H+]1CCCC[C@H]1c1ccc(C)c(C)c1 ZINC001236246049 1130904089 /nfs/dbraw/zinc/90/40/89/1130904089.db2.gz XLPNQVKHLKSLJU-IRXDYDNUSA-N 2 1 260.425 3.568 20 0 CHADMP CC[C@H]([NH3+])C[N@H+]1CCCC[C@H]1c1ccc(C)c(C)c1 ZINC001236246049 1130904096 /nfs/dbraw/zinc/90/40/96/1130904096.db2.gz XLPNQVKHLKSLJU-IRXDYDNUSA-N 2 1 260.425 3.568 20 0 CHADMP CCC[C@H](C)C[N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236366418 1130920450 /nfs/dbraw/zinc/92/04/50/1130920450.db2.gz BWOXUMFCMKAFSU-HNNXBMFYSA-N 2 1 292.442 3.816 20 0 CHADMP CCC(CC)C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236370490 1130922828 /nfs/dbraw/zinc/92/28/28/1130922828.db2.gz GOTKDRNOQZQURQ-INIZCTEOSA-N 2 1 266.473 3.667 20 0 CHADMP C(C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1)C1CCCC1 ZINC001236373221 1130923358 /nfs/dbraw/zinc/92/33/58/1130923358.db2.gz UZCDXFUAWUBVFA-QGZVFWFLSA-N 2 1 278.484 3.811 20 0 CHADMP CC/C=C\CCC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373158 1130923473 /nfs/dbraw/zinc/92/34/73/1130923473.db2.gz UIESAGJUZBILCH-CWIOURORSA-N 2 1 278.484 3.977 20 0 CHADMP CCc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)o1 ZINC001236373379 1130923790 /nfs/dbraw/zinc/92/37/90/1130923790.db2.gz HBIQETVPUZPNSM-HNNXBMFYSA-N 2 1 290.451 3.586 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC001236417794 1130934638 /nfs/dbraw/zinc/93/46/38/1130934638.db2.gz FSDUIVOCAGMKEM-QFBILLFUSA-N 2 1 288.479 3.672 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC001236417794 1130934642 /nfs/dbraw/zinc/93/46/42/1130934642.db2.gz FSDUIVOCAGMKEM-QFBILLFUSA-N 2 1 288.479 3.672 20 0 CHADMP Cc1c(C[N@H+]2CCC[C@H]([NH3+])[C@@H]2C)cccc1-c1ccccc1 ZINC001236421626 1130936018 /nfs/dbraw/zinc/93/60/18/1130936018.db2.gz VVWDNHAFEGAHGH-JXFKEZNVSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1c(C[N@@H+]2CCC[C@H]([NH3+])[C@@H]2C)cccc1-c1ccccc1 ZINC001236421626 1130936022 /nfs/dbraw/zinc/93/60/22/1130936022.db2.gz VVWDNHAFEGAHGH-JXFKEZNVSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1CCC[C@@H]([NH3+])[C@@H]1C ZINC001236421693 1130936506 /nfs/dbraw/zinc/93/65/06/1130936506.db2.gz SPHJYFLUXLZHRB-OXJNMPFZSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@@H]([NH3+])[C@@H]1C ZINC001236421693 1130936508 /nfs/dbraw/zinc/93/65/08/1130936508.db2.gz SPHJYFLUXLZHRB-OXJNMPFZSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1cc(C)cc([C@@H]2CCC[N@@H+]2C[C@@H]2CCCC[NH2+]2)c1 ZINC001236428414 1130939265 /nfs/dbraw/zinc/93/92/65/1130939265.db2.gz KBKBASUAIWCETJ-ROUUACIJSA-N 2 1 272.436 3.582 20 0 CHADMP Cc1cc(C)cc([C@@H]2CCC[N@H+]2C[C@@H]2CCCC[NH2+]2)c1 ZINC001236428414 1130939268 /nfs/dbraw/zinc/93/92/68/1130939268.db2.gz KBKBASUAIWCETJ-ROUUACIJSA-N 2 1 272.436 3.582 20 0 CHADMP CC/C=C\CCCCC[N@H+](CCOCC)C1CC[NH2+]CC1 ZINC001236460936 1130946828 /nfs/dbraw/zinc/94/68/28/1130946828.db2.gz VRKWCQLOOJVMEG-WAYWQWQTSA-N 2 1 296.499 3.604 20 0 CHADMP Cc1ccc2cc(C[N@@H+](C(C)C)[C@@H]3CCC[NH2+]C3)ccc2n1 ZINC001236469216 1130949392 /nfs/dbraw/zinc/94/93/92/1130949392.db2.gz VJXZWKLCBQJLCV-GOSISDBHSA-N 2 1 297.446 3.506 20 0 CHADMP Cc1ccc2cc(C[N@H+](C(C)C)[C@@H]3CCC[NH2+]C3)ccc2n1 ZINC001236469216 1130949393 /nfs/dbraw/zinc/94/93/93/1130949393.db2.gz VJXZWKLCBQJLCV-GOSISDBHSA-N 2 1 297.446 3.506 20 0 CHADMP CCc1ccc(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236551591 1130973465 /nfs/dbraw/zinc/97/34/65/1130973465.db2.gz RQNBPQAVVDPVIH-WGSAOQKQSA-N 2 1 288.479 3.977 20 0 CHADMP Cc1cc(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c(C)s1 ZINC001236553140 1130974767 /nfs/dbraw/zinc/97/47/67/1130974767.db2.gz NPGUUGWBITUEHP-QAQDUYKDSA-N 2 1 292.492 3.847 20 0 CHADMP Cc1cccc(C[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236571771 1130978108 /nfs/dbraw/zinc/97/81/08/1130978108.db2.gz GGAUSZDMBQLVBY-SAABIXHNSA-N 2 1 272.436 3.619 20 0 CHADMP Cc1ccc(F)c(C[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236572503 1130978263 /nfs/dbraw/zinc/97/82/63/1130978263.db2.gz QNGINJZWQWWCSS-JCNLHEQBSA-N 2 1 290.426 3.759 20 0 CHADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001236603885 1130982180 /nfs/dbraw/zinc/98/21/80/1130982180.db2.gz DEYQATGMTOKAGX-IBGZPJMESA-N 2 1 280.415 3.524 20 0 CHADMP Cc1cc(F)cc(C)c1C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236638102 1130986384 /nfs/dbraw/zinc/98/63/84/1130986384.db2.gz VVUQMMUQJOAPFJ-UHFFFAOYSA-N 2 1 290.426 3.549 20 0 CHADMP Cc1ccc(C[N@H+](C[C@@H]2C[C@@H]2C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236713366 1130997488 /nfs/dbraw/zinc/99/74/88/1130997488.db2.gz APICUQTVFREQHD-WNHJNPCNSA-N 2 1 286.463 3.723 20 0 CHADMP CCCCC[N@@H+](C(CC)CC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236783674 1131006697 /nfs/dbraw/zinc/00/66/97/1131006697.db2.gz XBCQHHWEIJJQAX-KOMQPUFPSA-N 2 1 254.462 3.937 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000815572103 1131007276 /nfs/dbraw/zinc/00/72/76/1131007276.db2.gz UWYAQTFPBUGSRN-IAGOWNOFSA-N 2 1 278.484 3.811 20 0 CHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(-c4ccsc4)c3)C[C@H]12 ZINC001236821034 1131013507 /nfs/dbraw/zinc/01/35/07/1131013507.db2.gz UIJLQCDPUGFVPV-RYQLBKOJSA-N 2 1 298.455 3.584 20 0 CHADMP C[C@H](C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1cccc2ccccc21 ZINC001236820952 1131013775 /nfs/dbraw/zinc/01/37/75/1131013775.db2.gz SVXDHTYVBCTCHJ-VTCANLHHSA-N 2 1 294.442 3.612 20 0 CHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3-c3ccccc3)C[C@H]12 ZINC001236829894 1131016471 /nfs/dbraw/zinc/01/64/71/1131016471.db2.gz LJWWNQDYLPKSGV-YSIASYRMSA-N 2 1 292.426 3.523 20 0 CHADMP CC(C)c1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1Cl ZINC001236828392 1131017331 /nfs/dbraw/zinc/01/73/31/1131017331.db2.gz IOPSAWYOTJOVCM-LXZKKBNFSA-N 2 1 292.854 3.633 20 0 CHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(C4CCCCC4)cc3)C[C@@H]12 ZINC001236833751 1131018662 /nfs/dbraw/zinc/01/86/62/1131018662.db2.gz ZRAWGLMCMORGAV-VAMGGRTRSA-N 2 1 298.474 3.903 20 0 CHADMP CCC[N@H+](Cc1ccc(C)c2ccccc12)C[C@H]1CC[NH2+]C1 ZINC001236835909 1131020100 /nfs/dbraw/zinc/02/01/00/1131020100.db2.gz QOJBXPNDFULBME-KRWDZBQOSA-N 2 1 296.458 3.970 20 0 CHADMP CCC[N@H+](Cc1cccc(C(C)C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236842567 1131020330 /nfs/dbraw/zinc/02/03/30/1131020330.db2.gz FNJQNZZSJSFNRC-QGZVFWFLSA-N 2 1 274.452 3.632 20 0 CHADMP CCC[N@@H+](Cc1c(C)cc(F)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236843330 1131021678 /nfs/dbraw/zinc/02/16/78/1131021678.db2.gz HVBJYMLGYQQHIG-CYBMUJFWSA-N 2 1 298.833 3.609 20 0 CHADMP CCC[N@H+](Cc1c(C)cc(F)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236843330 1131021684 /nfs/dbraw/zinc/02/16/84/1131021684.db2.gz HVBJYMLGYQQHIG-CYBMUJFWSA-N 2 1 298.833 3.609 20 0 CHADMP CC(C)[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H](C)c1ccccc1 ZINC001236860687 1131026009 /nfs/dbraw/zinc/02/60/09/1131026009.db2.gz SXJQUBKEBHAIKM-DLBZAZTESA-N 2 1 274.452 3.848 20 0 CHADMP CCC(CC)[N@@H+](CCC[NH2+]C)[C@H](C)c1ccccc1 ZINC001236860576 1131026084 /nfs/dbraw/zinc/02/60/84/1131026084.db2.gz RJFSYXFBJASXFW-OAHLLOKOSA-N 2 1 262.441 3.848 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001237055718 1131042649 /nfs/dbraw/zinc/04/26/49/1131042649.db2.gz FHCYFLBRHUPOFM-BHYGNILZSA-N 2 1 292.854 3.504 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237056351 1131042808 /nfs/dbraw/zinc/04/28/08/1131042808.db2.gz ICOLNHUCQHGVRL-CHYADLBTSA-N 2 1 266.473 3.964 20 0 CHADMP CCCc1ccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001237156462 1131059479 /nfs/dbraw/zinc/05/94/79/1131059479.db2.gz WAZAVYHYHJDGSG-LJQANCHMSA-N 2 1 286.463 3.746 20 0 CHADMP CCCc1ccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001237156462 1131059486 /nfs/dbraw/zinc/05/94/86/1131059486.db2.gz WAZAVYHYHJDGSG-LJQANCHMSA-N 2 1 286.463 3.746 20 0 CHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccccc3Cl)C2)CC1 ZINC000798957238 1131064380 /nfs/dbraw/zinc/06/43/80/1131064380.db2.gz OYKIJNNEYPJFQS-UHFFFAOYSA-N 2 1 292.854 3.648 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001237205244 1131070817 /nfs/dbraw/zinc/07/08/17/1131070817.db2.gz YQRLYBHCUKWDFL-WBVHZDCISA-N 2 1 280.415 3.584 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001237205244 1131070823 /nfs/dbraw/zinc/07/08/23/1131070823.db2.gz YQRLYBHCUKWDFL-WBVHZDCISA-N 2 1 280.415 3.584 20 0 CHADMP Cc1ccccc1[C@@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799179120 1131074344 /nfs/dbraw/zinc/07/43/44/1131074344.db2.gz CTGUQGHRVZOHLA-QGZVFWFLSA-N 2 1 286.463 3.864 20 0 CHADMP CC(C)(C)CC[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237274977 1131077660 /nfs/dbraw/zinc/07/76/60/1131077660.db2.gz IIVSAWOAMLAGAH-UHFFFAOYSA-N 2 1 286.463 3.560 20 0 CHADMP CCc1cc(C[N@@H+](C)C2CC[NH+](CC)CC2)ccc1Cl ZINC001237739978 1131136736 /nfs/dbraw/zinc/13/67/36/1131136736.db2.gz LUCFBSVIOXIGRU-UHFFFAOYSA-N 2 1 294.870 3.819 20 0 CHADMP CCc1cc(C[N@H+](C)C2CC[NH+](CC)CC2)ccc1Cl ZINC001237739978 1131136739 /nfs/dbraw/zinc/13/67/39/1131136739.db2.gz LUCFBSVIOXIGRU-UHFFFAOYSA-N 2 1 294.870 3.819 20 0 CHADMP CC1(C[NH+]2CC3(C2)CC[N@@H+](C2CCCC2)C3)CCCCC1 ZINC001278150073 1131144322 /nfs/dbraw/zinc/14/43/22/1131144322.db2.gz DBBXSMVWSAGCPE-UHFFFAOYSA-N 2 1 290.495 3.907 20 0 CHADMP CC1(C[NH+]2CC3(C2)CC[N@H+](C2CCCC2)C3)CCCCC1 ZINC001278150073 1131144325 /nfs/dbraw/zinc/14/43/25/1131144325.db2.gz DBBXSMVWSAGCPE-UHFFFAOYSA-N 2 1 290.495 3.907 20 0 CHADMP Cc1sccc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001237966041 1131157112 /nfs/dbraw/zinc/15/71/12/1131157112.db2.gz FVMZVUNPXJVKCM-IRXDYDNUSA-N 2 1 292.492 3.895 20 0 CHADMP Cc1sccc1C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001237966041 1131157114 /nfs/dbraw/zinc/15/71/14/1131157114.db2.gz FVMZVUNPXJVKCM-IRXDYDNUSA-N 2 1 292.492 3.895 20 0 CHADMP Cc1sccc1C[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001237966041 1131157117 /nfs/dbraw/zinc/15/71/17/1131157117.db2.gz FVMZVUNPXJVKCM-IRXDYDNUSA-N 2 1 292.492 3.895 20 0 CHADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccsc2C)CC1 ZINC001237973966 1131157156 /nfs/dbraw/zinc/15/71/56/1131157156.db2.gz DYQLFIZGUMQBHU-UHFFFAOYSA-N 2 1 280.481 3.753 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccsc2C)CC1 ZINC001237973966 1131157158 /nfs/dbraw/zinc/15/71/58/1131157158.db2.gz DYQLFIZGUMQBHU-UHFFFAOYSA-N 2 1 280.481 3.753 20 0 CHADMP C[N@H+](Cc1cccc2c[nH+]cn21)C(C)(C)Cc1ccccc1 ZINC001238109262 1131171817 /nfs/dbraw/zinc/17/18/17/1131171817.db2.gz GXXILKCGQLPTKA-UHFFFAOYSA-N 2 1 293.414 3.787 20 0 CHADMP C[N@@H+](Cc1cccc2c[nH+]cn21)C(C)(C)Cc1ccccc1 ZINC001238109262 1131171822 /nfs/dbraw/zinc/17/18/22/1131171822.db2.gz GXXILKCGQLPTKA-UHFFFAOYSA-N 2 1 293.414 3.787 20 0 CHADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000817959178 1131192232 /nfs/dbraw/zinc/19/22/32/1131192232.db2.gz PXBVLSOJFYFFRP-GXFFZTMASA-N 2 1 288.407 3.635 20 0 CHADMP CC[N@@H+](Cc1ccc(F)c(C2CC2)c1)C1CCN(C)CC1 ZINC001238501015 1131210650 /nfs/dbraw/zinc/21/06/50/1131210650.db2.gz JPPLSEXUPRTCAS-UHFFFAOYSA-N 2 1 290.426 3.619 20 0 CHADMP CC(C)(C)C1CCC([NH2+][C@@H]2C[NH2+]CCC2(C)C)CC1 ZINC001246331265 1131469234 /nfs/dbraw/zinc/46/92/34/1131469234.db2.gz NQNCCTJSVAJCON-YMAMQOFZSA-N 2 1 266.473 3.569 20 0 CHADMP CCCCCC[C@H](CC)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001246343460 1131481798 /nfs/dbraw/zinc/48/17/98/1131481798.db2.gz UYXGUOLQNKKUTL-MELADBBJSA-N 2 1 294.405 3.865 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001138548221 1131520421 /nfs/dbraw/zinc/52/04/21/1131520421.db2.gz ALIDYTYPJMCGJK-GJZGRUSLSA-N 2 1 283.419 3.659 20 0 CHADMP CCCC1CCC([N@H+]2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001246525661 1131554630 /nfs/dbraw/zinc/55/46/30/1131554630.db2.gz ZWTKEWZEUVHBMF-UHFFFAOYSA-N 2 1 278.484 3.811 20 0 CHADMP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246553949 1131612645 /nfs/dbraw/zinc/61/26/45/1131612645.db2.gz UCDUDICSMUQOEV-WBMJQRKESA-N 2 1 298.833 3.613 20 0 CHADMP Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cc[nH+]c(C)c3F)c2c1 ZINC001171166341 1131619590 /nfs/dbraw/zinc/61/95/90/1131619590.db2.gz BUXOJZSRQRYQDV-LBPRGKRZSA-N 2 1 297.377 3.671 20 0 CHADMP C[C@H]1CCCC[N@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246557874 1131620724 /nfs/dbraw/zinc/62/07/24/1131620724.db2.gz LQLASSOJHNABMA-HOTGVXAUSA-N 2 1 264.457 3.563 20 0 CHADMP C[C@@H]1C[N@H+](C2CCC(C(C)(C)C)CC2)CCC[C@H]1C[NH3+] ZINC001246566877 1131634586 /nfs/dbraw/zinc/63/45/86/1131634586.db2.gz JVBHUFMCGFOEAT-XNIRIUNOSA-N 2 1 280.500 3.898 20 0 CHADMP CCCCC(CCCC)[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001246567277 1131635265 /nfs/dbraw/zinc/63/52/65/1131635265.db2.gz WXGKGZGIHYSACY-GJZGRUSLSA-N 2 1 254.462 3.795 20 0 CHADMP CCCCCC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246569054 1131638615 /nfs/dbraw/zinc/63/86/15/1131638615.db2.gz PMMMFNMAAMQKKN-OWCLPIDISA-N 2 1 254.462 3.652 20 0 CHADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)(F)CC2)CC[NH2+]1 ZINC001246570892 1131645859 /nfs/dbraw/zinc/64/58/59/1131645859.db2.gz TZGZRIRJORJPKR-PMPSAXMXSA-N 2 1 270.436 3.511 20 0 CHADMP C[C@@]1(F)CCCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246579129 1131669894 /nfs/dbraw/zinc/66/98/94/1131669894.db2.gz YDKAOZVRIDWSRZ-MRXNPFEDSA-N 2 1 282.447 3.513 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCCC[C@H]2C)cn1 ZINC000845927549 1131670893 /nfs/dbraw/zinc/67/08/93/1131670893.db2.gz JXTQXXQFJAVNTI-RHSMWYFYSA-N 2 1 298.434 3.634 20 0 CHADMP CCC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)C1CCC1 ZINC000834522639 1131681034 /nfs/dbraw/zinc/68/10/34/1131681034.db2.gz HMFLKFVLFABYLB-KRWDZBQOSA-N 2 1 298.434 3.634 20 0 CHADMP CCC(C)(C)C1CCC([N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CC1 ZINC001246584198 1131688347 /nfs/dbraw/zinc/68/83/47/1131688347.db2.gz ICIYRPDXBWEPBS-QDIHITRGSA-N 2 1 284.463 3.743 20 0 CHADMP CCC(C)(C)C1CCC([N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CC1 ZINC001246584198 1131688350 /nfs/dbraw/zinc/68/83/50/1131688350.db2.gz ICIYRPDXBWEPBS-QDIHITRGSA-N 2 1 284.463 3.743 20 0 CHADMP CCCCCC[C@H](CC)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246584774 1131693820 /nfs/dbraw/zinc/69/38/20/1131693820.db2.gz UUJHSJZXFJKORY-CVEARBPZSA-N 2 1 254.462 3.796 20 0 CHADMP CCOc1ccc([C@@H]2CCC[N@H+]2CCCCCC[NH3+])cc1 ZINC000846217686 1131700538 /nfs/dbraw/zinc/70/05/38/1131700538.db2.gz LSIMITNVSFHBBX-SFHVURJKSA-N 2 1 290.451 3.741 20 0 CHADMP Cc1ccc(C[C@@H]2CCC[N@H+]2CCCCCC[NH3+])cc1 ZINC000846218689 1131700727 /nfs/dbraw/zinc/70/07/27/1131700727.db2.gz WIZXTSVXPCFOKW-SFHVURJKSA-N 2 1 274.452 3.521 20 0 CHADMP CCCC(CCC)[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001246588714 1131704334 /nfs/dbraw/zinc/70/43/34/1131704334.db2.gz CCXIOWWTWJXNPU-INIZCTEOSA-N 2 1 254.462 3.808 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001246590681 1131707210 /nfs/dbraw/zinc/70/72/10/1131707210.db2.gz KOXSXBBJXLGTDG-XUWVNRHRSA-N 2 1 254.462 3.506 20 0 CHADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)CC(C)(C)C1 ZINC001246614165 1131718068 /nfs/dbraw/zinc/71/80/68/1131718068.db2.gz MNXWGLQKFDMUFJ-SOLBZPMBSA-N 2 1 278.484 3.809 20 0 CHADMP CCCC[C@H]1C[C@@H]([NH+]2CCC3(CCC3)CC2)CC[NH2+]1 ZINC001246614262 1131718088 /nfs/dbraw/zinc/71/80/88/1131718088.db2.gz AIUPVPFDAHGKSQ-HOTGVXAUSA-N 2 1 264.457 3.563 20 0 CHADMP CC(C)(C)C1CCC([NH+]2CCC3(CCC[NH2+]3)CC2)CC1 ZINC001246627680 1131737473 /nfs/dbraw/zinc/73/74/73/1131737473.db2.gz YJCUQFLGNVWCQK-UHFFFAOYSA-N 2 1 278.484 3.809 20 0 CHADMP CC1(C)CCC[C@@H]([N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)C1 ZINC001246633691 1131739171 /nfs/dbraw/zinc/73/91/71/1131739171.db2.gz LSDGUQHQLVLHLS-NVXWUHKLSA-N 2 1 264.457 3.563 20 0 CHADMP CC1(C)CCC[C@@H]([N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)C1 ZINC001246633691 1131739179 /nfs/dbraw/zinc/73/91/79/1131739179.db2.gz LSDGUQHQLVLHLS-NVXWUHKLSA-N 2 1 264.457 3.563 20 0 CHADMP CC[N@@H+](CCCNCc1cc(C)co1)C1CCCCC1 ZINC001203042874 1131769452 /nfs/dbraw/zinc/76/94/52/1131769452.db2.gz FQDQTKZWVRNRJE-UHFFFAOYSA-N 2 1 278.440 3.722 20 0 CHADMP CCCCCC[C@@H](CCC)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246648124 1131775533 /nfs/dbraw/zinc/77/55/33/1131775533.db2.gz OODMMMMLYUHADD-IXDOHACOSA-N 2 1 266.473 3.667 20 0 CHADMP CCCCCC[C@@H](CCC)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246648124 1131775538 /nfs/dbraw/zinc/77/55/38/1131775538.db2.gz OODMMMMLYUHADD-IXDOHACOSA-N 2 1 266.473 3.667 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC2(CCCCC2)C1 ZINC000348166440 1131892491 /nfs/dbraw/zinc/89/24/91/1131892491.db2.gz OJPXTEWKWJFXFO-INIZCTEOSA-N 2 1 264.457 3.517 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC2(CCCCC2)C1 ZINC000348166440 1131892502 /nfs/dbraw/zinc/89/25/02/1131892502.db2.gz OJPXTEWKWJFXFO-INIZCTEOSA-N 2 1 264.457 3.517 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC2(CCCCC2)C1 ZINC000348166440 1131892514 /nfs/dbraw/zinc/89/25/14/1131892514.db2.gz OJPXTEWKWJFXFO-INIZCTEOSA-N 2 1 264.457 3.517 20 0 CHADMP C[N@@H+](CCc1cccc(Cl)c1)Cc1c[nH]c2ccncc12 ZINC001140806282 1131930709 /nfs/dbraw/zinc/93/07/09/1131930709.db2.gz DVDSDQJWAMRKSO-UHFFFAOYSA-N 2 1 299.805 3.891 20 0 CHADMP C[N@H+](CCc1cccc(Cl)c1)Cc1cnc2cc[nH]cc1-2 ZINC001140806282 1131930714 /nfs/dbraw/zinc/93/07/14/1131930714.db2.gz DVDSDQJWAMRKSO-UHFFFAOYSA-N 2 1 299.805 3.891 20 0 CHADMP C[N@H+](CCc1cccc(Cl)c1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140806282 1131930721 /nfs/dbraw/zinc/93/07/21/1131930721.db2.gz DVDSDQJWAMRKSO-UHFFFAOYSA-N 2 1 299.805 3.891 20 0 CHADMP C[N@@H+](CCc1cccc(Cl)c1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140806282 1131930725 /nfs/dbraw/zinc/93/07/25/1131930725.db2.gz DVDSDQJWAMRKSO-UHFFFAOYSA-N 2 1 299.805 3.891 20 0 CHADMP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC000036968094 1131982612 /nfs/dbraw/zinc/98/26/12/1131982612.db2.gz MAMULAUWASPGRH-FBVQUNGASA-N 2 1 290.426 3.738 20 0 CHADMP C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1(C)CC1 ZINC000716639071 1132029505 /nfs/dbraw/zinc/02/95/05/1132029505.db2.gz RNDOBBAHCMLEFS-WNHJNPCNSA-N 2 1 298.474 3.818 20 0 CHADMP Cc1ccnc([C@@H](C)[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171618788 1132064818 /nfs/dbraw/zinc/06/48/18/1132064818.db2.gz CFLYCXJCWIVXTD-CQSZACIVSA-N 2 1 289.467 3.692 20 0 CHADMP CC[C@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1ccccn1 ZINC001171623309 1132067760 /nfs/dbraw/zinc/06/77/60/1132067760.db2.gz SNIYPSMLTTWVTJ-HNNXBMFYSA-N 2 1 289.467 3.774 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)[C@H](C)CCc1ccc(C)cc1 ZINC001171681972 1132078240 /nfs/dbraw/zinc/07/82/40/1132078240.db2.gz PSVAHTTWBYKMNI-QGZVFWFLSA-N 2 1 276.468 3.590 20 0 CHADMP C[NH+]1C(C)(C)CC([N@H+]2CCc3ccsc3C2)CC1(C)C ZINC001171637449 1132081321 /nfs/dbraw/zinc/08/13/21/1132081321.db2.gz NUFPWPCLSPWSGH-UHFFFAOYSA-N 2 1 292.492 3.758 20 0 CHADMP C[NH+]1C(C)(C)CC([N@H+]2CCC3(CCCC3)C2)CC1(C)C ZINC001171636884 1132082028 /nfs/dbraw/zinc/08/20/28/1132082028.db2.gz JHSYLJOFIVJUBL-UHFFFAOYSA-N 2 1 278.484 3.904 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)s2)C1 ZINC000121814204 1132111704 /nfs/dbraw/zinc/11/17/04/1132111704.db2.gz PUJWOMUCFMILTC-RYUDHWBXSA-N 2 1 286.872 3.784 20 0 CHADMP CC1(C)C[C@@H]([NH2+]C2CC=CC2)CC[N@H+]1Cc1ccccc1 ZINC001171963663 1132113045 /nfs/dbraw/zinc/11/30/45/1132113045.db2.gz DUGQRGMTXPAGFZ-SFHVURJKSA-N 2 1 284.447 3.738 20 0 CHADMP CC1(C)C[C@H]([NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171975716 1132117370 /nfs/dbraw/zinc/11/73/70/1132117370.db2.gz DZJILNRLWCUODU-GOSISDBHSA-N 2 1 286.463 3.916 20 0 CHADMP CC1(C)C[C@H]([NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171975716 1132117377 /nfs/dbraw/zinc/11/73/77/1132117377.db2.gz DZJILNRLWCUODU-GOSISDBHSA-N 2 1 286.463 3.916 20 0 CHADMP CC1(C)C[C@H]([NH2+][C@@H]2C[C@H]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001171975345 1132117934 /nfs/dbraw/zinc/11/79/34/1132117934.db2.gz CDXBTJXOKVLTLV-CEXWTWQISA-N 2 1 298.474 3.818 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@H](C3CCCCC3)C1)C2 ZINC001172127610 1132125458 /nfs/dbraw/zinc/12/54/58/1132125458.db2.gz JVSRBAMZAZRLMN-OKYOBFRVSA-N 2 1 290.495 3.904 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@H](C3CCCCC3)C1)C2 ZINC001172127610 1132125460 /nfs/dbraw/zinc/12/54/60/1132125460.db2.gz JVSRBAMZAZRLMN-OKYOBFRVSA-N 2 1 290.495 3.904 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@H](C3CCCCC3)C1)C2 ZINC001172127610 1132125467 /nfs/dbraw/zinc/12/54/67/1132125467.db2.gz JVSRBAMZAZRLMN-OKYOBFRVSA-N 2 1 290.495 3.904 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@H](C3CCCCC3)C1)C2 ZINC001172127610 1132125470 /nfs/dbraw/zinc/12/54/70/1132125470.db2.gz JVSRBAMZAZRLMN-OKYOBFRVSA-N 2 1 290.495 3.904 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1Cc3ccccc3C(C)(C)C1)C2 ZINC001172128848 1132127643 /nfs/dbraw/zinc/12/76/43/1132127643.db2.gz UWDYDWYBPLPDTB-BCDXTJNWSA-N 2 1 298.474 3.795 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1Cc3ccccc3C(C)(C)C1)C2 ZINC001172128848 1132127647 /nfs/dbraw/zinc/12/76/47/1132127647.db2.gz UWDYDWYBPLPDTB-BCDXTJNWSA-N 2 1 298.474 3.795 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1Cc3ccccc3C(C)(C)C1)C2 ZINC001172128848 1132127652 /nfs/dbraw/zinc/12/76/52/1132127652.db2.gz UWDYDWYBPLPDTB-BCDXTJNWSA-N 2 1 298.474 3.795 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c2ccccc21 ZINC001172105948 1132129766 /nfs/dbraw/zinc/12/97/66/1132129766.db2.gz LNWCGVFRWDNKLH-FDQIELQPSA-N 2 1 284.447 3.840 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC001172105948 1132129767 /nfs/dbraw/zinc/12/97/67/1132129767.db2.gz LNWCGVFRWDNKLH-FDQIELQPSA-N 2 1 284.447 3.840 20 0 CHADMP CCC[C@H]1CCCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120463 1132132137 /nfs/dbraw/zinc/13/21/37/1132132137.db2.gz FLQOOZCNAIPIEP-NXOAAHMSSA-N 2 1 264.457 3.656 20 0 CHADMP CCC[C@H]1CCCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120463 1132132140 /nfs/dbraw/zinc/13/21/40/1132132140.db2.gz FLQOOZCNAIPIEP-NXOAAHMSSA-N 2 1 264.457 3.656 20 0 CHADMP CCC[C@H]1CCCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172120463 1132132143 /nfs/dbraw/zinc/13/21/43/1132132143.db2.gz FLQOOZCNAIPIEP-NXOAAHMSSA-N 2 1 264.457 3.656 20 0 CHADMP CCC[C@H]1CCCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172120463 1132132146 /nfs/dbraw/zinc/13/21/46/1132132146.db2.gz FLQOOZCNAIPIEP-NXOAAHMSSA-N 2 1 264.457 3.656 20 0 CHADMP C[C@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)Cc2ccccc21 ZINC001172114255 1132132516 /nfs/dbraw/zinc/13/25/16/1132132516.db2.gz PPDNOSJCARMJQA-DZJNRPSUSA-N 2 1 284.447 3.621 20 0 CHADMP C[C@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)Cc2ccccc21 ZINC001172114255 1132132519 /nfs/dbraw/zinc/13/25/19/1132132519.db2.gz PPDNOSJCARMJQA-DZJNRPSUSA-N 2 1 284.447 3.621 20 0 CHADMP C[C@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)Cc2ccccc21 ZINC001172114255 1132132524 /nfs/dbraw/zinc/13/25/24/1132132524.db2.gz PPDNOSJCARMJQA-DZJNRPSUSA-N 2 1 284.447 3.621 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1c1ccccc1)C2 ZINC001172120400 1132133663 /nfs/dbraw/zinc/13/36/63/1132133663.db2.gz FEDSNAWSVVIKER-YDZRNGNQSA-N 2 1 284.447 3.839 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1c1ccccc1)C2 ZINC001172120400 1132133666 /nfs/dbraw/zinc/13/36/66/1132133666.db2.gz FEDSNAWSVVIKER-YDZRNGNQSA-N 2 1 284.447 3.839 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]1c1ccccc1)C2 ZINC001172120400 1132133668 /nfs/dbraw/zinc/13/36/68/1132133668.db2.gz FEDSNAWSVVIKER-YDZRNGNQSA-N 2 1 284.447 3.839 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]1c1ccccc1)C2 ZINC001172120400 1132133669 /nfs/dbraw/zinc/13/36/69/1132133669.db2.gz FEDSNAWSVVIKER-YDZRNGNQSA-N 2 1 284.447 3.839 20 0 CHADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)Cc2ccccc21 ZINC001172114257 1132133734 /nfs/dbraw/zinc/13/37/34/1132133734.db2.gz PPDNOSJCARMJQA-NRSFXHEJSA-N 2 1 284.447 3.621 20 0 CHADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)Cc2ccccc21 ZINC001172114257 1132133740 /nfs/dbraw/zinc/13/37/40/1132133740.db2.gz PPDNOSJCARMJQA-NRSFXHEJSA-N 2 1 284.447 3.621 20 0 CHADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)Cc2ccccc21 ZINC001172114257 1132133742 /nfs/dbraw/zinc/13/37/42/1132133742.db2.gz PPDNOSJCARMJQA-NRSFXHEJSA-N 2 1 284.447 3.621 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCCCC1(C)C)C2 ZINC001172112145 1132133790 /nfs/dbraw/zinc/13/37/90/1132133790.db2.gz SKFMTRSMOSDMGS-JONQDZQNSA-N 2 1 264.457 3.560 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCCCC1(C)C)C2 ZINC001172112145 1132133794 /nfs/dbraw/zinc/13/37/94/1132133794.db2.gz SKFMTRSMOSDMGS-JONQDZQNSA-N 2 1 264.457 3.560 20 0 CHADMP CC[N@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172114052 1132134542 /nfs/dbraw/zinc/13/45/42/1132134542.db2.gz OGXICQATAMHELA-BCDXTJNWSA-N 2 1 272.436 3.524 20 0 CHADMP CC[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172114052 1132134545 /nfs/dbraw/zinc/13/45/45/1132134545.db2.gz OGXICQATAMHELA-BCDXTJNWSA-N 2 1 272.436 3.524 20 0 CHADMP CC[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172114052 1132134547 /nfs/dbraw/zinc/13/45/47/1132134547.db2.gz OGXICQATAMHELA-BCDXTJNWSA-N 2 1 272.436 3.524 20 0 CHADMP CC[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172114052 1132134550 /nfs/dbraw/zinc/13/45/50/1132134550.db2.gz OGXICQATAMHELA-BCDXTJNWSA-N 2 1 272.436 3.524 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@H](Cc3ccccc3)C1)C2 ZINC001172124106 1132136309 /nfs/dbraw/zinc/13/63/09/1132136309.db2.gz JLKYDXKCFFQSBL-YSTOQKLRSA-N 2 1 298.474 3.566 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@H](Cc3ccccc3)C1)C2 ZINC001172124106 1132136314 /nfs/dbraw/zinc/13/63/14/1132136314.db2.gz JLKYDXKCFFQSBL-YSTOQKLRSA-N 2 1 298.474 3.566 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@H](Cc3ccccc3)C1)C2 ZINC001172124106 1132136318 /nfs/dbraw/zinc/13/63/18/1132136318.db2.gz JLKYDXKCFFQSBL-YSTOQKLRSA-N 2 1 298.474 3.566 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@H](Cc3ccccc3)C1)C2 ZINC001172124106 1132136322 /nfs/dbraw/zinc/13/63/22/1132136322.db2.gz JLKYDXKCFFQSBL-YSTOQKLRSA-N 2 1 298.474 3.566 20 0 CHADMP CC[C@@H](C)OCC[C@H](C)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172326975 1132161933 /nfs/dbraw/zinc/16/19/33/1132161933.db2.gz CVRSJSLHJRYMIJ-MVJTYMMSSA-N 2 1 296.499 3.562 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)[C@H](C)CCO[C@H](C)CC)CC1 ZINC001172358976 1132186937 /nfs/dbraw/zinc/18/69/37/1132186937.db2.gz HKFCUSVVDPPQKP-IAGOWNOFSA-N 2 1 298.515 3.776 20 0 CHADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)C1 ZINC001172368814 1132194449 /nfs/dbraw/zinc/19/44/49/1132194449.db2.gz JJLOUKVLCVDWRV-JONQDZQNSA-N 2 1 266.473 3.664 20 0 CHADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)C1 ZINC001172368814 1132194452 /nfs/dbraw/zinc/19/44/52/1132194452.db2.gz JJLOUKVLCVDWRV-JONQDZQNSA-N 2 1 266.473 3.664 20 0 CHADMP CCCCCC[C@H](CCC)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001172392129 1132216128 /nfs/dbraw/zinc/21/61/28/1132216128.db2.gz VZJMHJCYIMJAGU-KRWDZBQOSA-N 2 1 298.515 3.826 20 0 CHADMP CC[C@@H](CC(C)C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001172392980 1132217722 /nfs/dbraw/zinc/21/77/22/1132217722.db2.gz HQTWWTHGDWOZIX-JKSUJKDBSA-N 2 1 266.473 3.808 20 0 CHADMP CC[C@@H](CC(C)C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001172392980 1132217724 /nfs/dbraw/zinc/21/77/24/1132217724.db2.gz HQTWWTHGDWOZIX-JKSUJKDBSA-N 2 1 266.473 3.808 20 0 CHADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172539039 1132275967 /nfs/dbraw/zinc/27/59/67/1132275967.db2.gz ZZFMSKZYJAKBRB-IAGOWNOFSA-N 2 1 283.419 3.592 20 0 CHADMP CC1(C)CC([N@@H+](CCC[NH3+])C2CCCCC2)CC(C)(C)O1 ZINC001172644671 1132287063 /nfs/dbraw/zinc/28/70/63/1132287063.db2.gz XIFJYCABYISOHB-UHFFFAOYSA-N 2 1 296.499 3.706 20 0 CHADMP CN1CCC([N@@H+](C)C2CCC3(CCCC3)CC2)CC1 ZINC001172726122 1132299310 /nfs/dbraw/zinc/29/93/10/1132299310.db2.gz BSWKSGRLZZGLFP-UHFFFAOYSA-N 2 1 264.457 3.515 20 0 CHADMP Cc1cc(C)c(C[N@@H+](C)CCC[NH+]2CCCC2)cc1C ZINC001231484202 1132300242 /nfs/dbraw/zinc/30/02/42/1132300242.db2.gz JHLUXFJXOLUPLC-UHFFFAOYSA-N 2 1 274.452 3.530 20 0 CHADMP CN1CCC[C@@H]2C[N@H+](C3CCC4(CCCC4)CC3)C[C@@H]21 ZINC001172730558 1132303062 /nfs/dbraw/zinc/30/30/62/1132303062.db2.gz JGTXVOJIKWWRJL-WBVHZDCISA-N 2 1 276.468 3.515 20 0 CHADMP C[NH+](C)CCC[N@@H+](C)C1CCC(Cc2ccccc2)CC1 ZINC001172821738 1132318147 /nfs/dbraw/zinc/31/81/47/1132318147.db2.gz KTSGSPYTONLVQV-UHFFFAOYSA-N 2 1 288.479 3.671 20 0 CHADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1CCc2ccc(C)cc2C1 ZINC001172825909 1132321242 /nfs/dbraw/zinc/32/12/42/1132321242.db2.gz LMUILGUEGPICRC-IBGZPJMESA-N 2 1 288.479 3.564 20 0 CHADMP CO[C@@H]1CCC[C@@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172928251 1132364982 /nfs/dbraw/zinc/36/49/82/1132364982.db2.gz JNUUNOUXCUEVOH-QBPKDAKJSA-N 2 1 296.499 3.562 20 0 CHADMP CCCc1ccc(CN2CCC([N@@H+](C)CC)CC2)cc1 ZINC001142367269 1132374093 /nfs/dbraw/zinc/37/40/93/1132374093.db2.gz LOSRWTUIPSDTRB-UHFFFAOYSA-N 2 1 274.452 3.555 20 0 CHADMP Cc1ccc2ccccc2c1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001142376013 1132377003 /nfs/dbraw/zinc/37/70/03/1132377003.db2.gz WKVZIMFYSJPZCJ-MSOLQXFVSA-N 2 1 294.442 3.532 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001142376013 1132377009 /nfs/dbraw/zinc/37/70/09/1132377009.db2.gz WKVZIMFYSJPZCJ-MSOLQXFVSA-N 2 1 294.442 3.532 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001142376013 1132377018 /nfs/dbraw/zinc/37/70/18/1132377018.db2.gz WKVZIMFYSJPZCJ-MSOLQXFVSA-N 2 1 294.442 3.532 20 0 CHADMP CCCOC1CCC([N@@H+](C(C)C)C2CCN(C)CC2)CC1 ZINC001173101163 1132391001 /nfs/dbraw/zinc/39/10/01/1132391001.db2.gz HIITVHYHUDHJAC-UHFFFAOYSA-N 2 1 296.499 3.529 20 0 CHADMP CC[C@@H]1CCC[N@H+](C2CCC([NH+](CC)CC)CC2)C1 ZINC001173114705 1132393682 /nfs/dbraw/zinc/39/36/82/1132393682.db2.gz QSMDJQNXUKZPOQ-KLAILNCOSA-N 2 1 266.473 3.761 20 0 CHADMP CC[NH+](CC)C1CCC([N@@H+](CCCCCO)C(C)C)CC1 ZINC001173113750 1132394192 /nfs/dbraw/zinc/39/41/92/1132394192.db2.gz LXWQKJOPVJJTLZ-UHFFFAOYSA-N 2 1 298.515 3.512 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H]3CCC[C@@H]3C2)CC1 ZINC001173110516 1132394577 /nfs/dbraw/zinc/39/45/77/1132394577.db2.gz UXUYAEDSJUHSST-MRLCAUJQSA-N 2 1 278.484 3.761 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](C)C[C@H]2C)CC1 ZINC001173114435 1132395016 /nfs/dbraw/zinc/39/50/16/1132395016.db2.gz KCBUJRAKFLQPOX-NJINODPHSA-N 2 1 266.473 3.760 20 0 CHADMP C[NH+]1CC[C@@H]2C[N@@H+](C3CCC4(CCCCC4)CC3)C[C@@H]2C1 ZINC001173117204 1132396041 /nfs/dbraw/zinc/39/60/41/1132396041.db2.gz ZBNZRAHXQLLIBI-SJORKVTESA-N 2 1 290.495 3.763 20 0 CHADMP C[NH+]1CC[C@@H]2C[N@H+](C3CCC4(CCCCC4)CC3)C[C@@H]2C1 ZINC001173117204 1132396050 /nfs/dbraw/zinc/39/60/50/1132396050.db2.gz ZBNZRAHXQLLIBI-SJORKVTESA-N 2 1 290.495 3.763 20 0 CHADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CCCc2ccccc2C1 ZINC001232014349 1132410055 /nfs/dbraw/zinc/41/00/55/1132410055.db2.gz OEUKHFKTOUHPPO-UHFFFAOYSA-N 2 1 277.371 3.511 20 0 CHADMP CC[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1cccs1 ZINC001232016578 1132410946 /nfs/dbraw/zinc/41/09/46/1132410946.db2.gz CMCCGDRQHBLRKE-UHFFFAOYSA-N 2 1 271.389 3.647 20 0 CHADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC001232016553 1132411331 /nfs/dbraw/zinc/41/13/31/1132411331.db2.gz ZAXZVZATFSHIQP-HNNXBMFYSA-N 2 1 283.419 3.965 20 0 CHADMP CCCC[C@H](CC(C)C)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001173250864 1132419843 /nfs/dbraw/zinc/41/98/43/1132419843.db2.gz WPOCXXKIUVGZSP-UYSNPLJNSA-N 2 1 254.462 3.793 20 0 CHADMP CCCC[C@@H](CC(C)C)[N@@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001173259086 1132427813 /nfs/dbraw/zinc/42/78/13/1132427813.db2.gz FMQYMULNCJAZFP-KSZLIROESA-N 2 1 280.500 3.865 20 0 CHADMP CCCC[C@@H](CC(C)C)[NH+]1C[C@H]2C[N@@H+](CCC)C[C@H]2C1 ZINC001173259086 1132427818 /nfs/dbraw/zinc/42/78/18/1132427818.db2.gz FMQYMULNCJAZFP-KSZLIROESA-N 2 1 280.500 3.865 20 0 CHADMP CCCC[C@@H](CC(C)C)[NH+]1C[C@H]2C[N@H+](CCC)C[C@H]2C1 ZINC001173259086 1132427820 /nfs/dbraw/zinc/42/78/20/1132427820.db2.gz FMQYMULNCJAZFP-KSZLIROESA-N 2 1 280.500 3.865 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001173346406 1132471300 /nfs/dbraw/zinc/47/13/00/1132471300.db2.gz LJENFXBEDUXAJN-BRWVUGGUSA-N 2 1 278.484 3.809 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001173346406 1132471303 /nfs/dbraw/zinc/47/13/03/1132471303.db2.gz LJENFXBEDUXAJN-BRWVUGGUSA-N 2 1 278.484 3.809 20 0 CHADMP c1cn2c([nH+]1)CC[N@H+]([C@H]1CCCC3(CCCCC3)C1)CC2 ZINC001173348176 1132472935 /nfs/dbraw/zinc/47/29/35/1132472935.db2.gz GHNLMMOLEUDMTK-INIZCTEOSA-N 2 1 287.451 3.634 20 0 CHADMP c1cn2c([nH+]1)CC[N@@H+]([C@H]1CCCC3(CCCCC3)C1)CC2 ZINC001173348176 1132472938 /nfs/dbraw/zinc/47/29/38/1132472938.db2.gz GHNLMMOLEUDMTK-INIZCTEOSA-N 2 1 287.451 3.634 20 0 CHADMP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]C(C)(C)C[NH3+] ZINC001173542448 1132491253 /nfs/dbraw/zinc/49/12/53/1132491253.db2.gz HBIKYMZAIWSWPH-SNVBAGLBSA-N 2 1 289.250 3.641 20 0 CHADMP c1ccc2c(c1)cccc2[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]1 ZINC000843060734 1132494138 /nfs/dbraw/zinc/49/41/38/1132494138.db2.gz NRRXMXDRZHFJSP-LPHOPBHVSA-N 2 1 280.415 3.729 20 0 CHADMP c1ccc2c(c1)cccc2[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]1 ZINC000843060734 1132494141 /nfs/dbraw/zinc/49/41/41/1132494141.db2.gz NRRXMXDRZHFJSP-LPHOPBHVSA-N 2 1 280.415 3.729 20 0 CHADMP CCC[C@@H](C[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000843119715 1132496888 /nfs/dbraw/zinc/49/68/88/1132496888.db2.gz DKGMIKNKWBJZJO-SFHVURJKSA-N 2 1 286.463 3.646 20 0 CHADMP CCC[C@H](C[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000843119714 1132497055 /nfs/dbraw/zinc/49/70/55/1132497055.db2.gz DKGMIKNKWBJZJO-GOSISDBHSA-N 2 1 286.463 3.646 20 0 CHADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC001206633106 1132552292 /nfs/dbraw/zinc/55/22/92/1132552292.db2.gz SYWJIUFUVVKPLU-OAHLLOKOSA-N 2 1 284.403 3.507 20 0 CHADMP CSc1cccc(Cl)c1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206640485 1132568191 /nfs/dbraw/zinc/56/81/91/1132568191.db2.gz KCNRNLGBMSOVJB-LBPRGKRZSA-N 2 1 298.883 3.623 20 0 CHADMP CSc1cccc(Cl)c1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206640485 1132568196 /nfs/dbraw/zinc/56/81/96/1132568196.db2.gz KCNRNLGBMSOVJB-LBPRGKRZSA-N 2 1 298.883 3.623 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206641080 1132569254 /nfs/dbraw/zinc/56/92/54/1132569254.db2.gz SGYNDQLKINHILE-AWEZNQCLSA-N 2 1 280.843 3.518 20 0 CHADMP Cc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc(C)c1Cl ZINC001206641472 1132570280 /nfs/dbraw/zinc/57/02/80/1132570280.db2.gz XXMJOIKCXXKOIV-CQSZACIVSA-N 2 1 280.843 3.518 20 0 CHADMP Cc1c[nH+]ccc1Nc1ccc([NH+]2CCCCCC2)cc1 ZINC001174539140 1132900094 /nfs/dbraw/zinc/90/00/94/1132900094.db2.gz FQJFDLBSNWQWAT-UHFFFAOYSA-N 2 1 281.403 3.936 20 0 CHADMP CCC(CC)[NH+]1CCC(Nc2ccc3c([nH+]2)CCC3)CC1 ZINC001161099409 1132993496 /nfs/dbraw/zinc/99/34/96/1132993496.db2.gz VUBLEZZQHJKQMR-UHFFFAOYSA-N 2 1 287.451 3.635 20 0 CHADMP Cc1cc[nH+]c(N(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001161677051 1133014700 /nfs/dbraw/zinc/01/47/00/1133014700.db2.gz FZTOQTHWHLHBLD-SHTZXODSSA-N 2 1 275.440 3.512 20 0 CHADMP Cc1cccc2cc[nH+]c(N3CCC4(CCCC[NH2+]4)CC3)c12 ZINC001165248735 1133232956 /nfs/dbraw/zinc/23/29/56/1133232956.db2.gz QIZWCBQLHBQULS-UHFFFAOYSA-N 2 1 295.430 3.656 20 0 CHADMP Cc1ccc2c(cc[nH+]c2NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC001165261985 1133234381 /nfs/dbraw/zinc/23/43/81/1133234381.db2.gz VHDLXHRIWHGSLF-HNNXBMFYSA-N 2 1 283.419 3.687 20 0 CHADMP Cc1ccc2c(NCC[C@@H]3CCC[N@H+](C)C3)cc[nH+]c2c1 ZINC001165300336 1133237163 /nfs/dbraw/zinc/23/71/63/1133237163.db2.gz MCCJAMCKUHLWAY-HNNXBMFYSA-N 2 1 283.419 3.687 20 0 CHADMP CC(C)c1cccc(NCC2CC[NH+](C(C)C)CC2)[nH+]1 ZINC001166616257 1133276952 /nfs/dbraw/zinc/27/69/52/1133276952.db2.gz XRBYMKHFJWKMSD-UHFFFAOYSA-N 2 1 275.440 3.737 20 0 CHADMP CC1(C)CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001203180823 1133305183 /nfs/dbraw/zinc/30/51/83/1133305183.db2.gz DZGSMCYSFDMQFM-CVEARBPZSA-N 2 1 278.484 3.952 20 0 CHADMP CC1(C)CCC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001203180823 1133305187 /nfs/dbraw/zinc/30/51/87/1133305187.db2.gz DZGSMCYSFDMQFM-CVEARBPZSA-N 2 1 278.484 3.952 20 0 CHADMP CC1(C)CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001203180825 1133305674 /nfs/dbraw/zinc/30/56/74/1133305674.db2.gz DZGSMCYSFDMQFM-HZPDHXFCSA-N 2 1 278.484 3.952 20 0 CHADMP CC1(C)CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001203180825 1133305678 /nfs/dbraw/zinc/30/56/78/1133305678.db2.gz DZGSMCYSFDMQFM-HZPDHXFCSA-N 2 1 278.484 3.952 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC001204161892 1133412380 /nfs/dbraw/zinc/41/23/80/1133412380.db2.gz HNAMINCQACIZNO-IRXDYDNUSA-N 2 1 280.500 3.867 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC001204161892 1133412382 /nfs/dbraw/zinc/41/23/82/1133412382.db2.gz HNAMINCQACIZNO-IRXDYDNUSA-N 2 1 280.500 3.867 20 0 CHADMP Cc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)cc1 ZINC001204174591 1133415168 /nfs/dbraw/zinc/41/51/68/1133415168.db2.gz YLBKMACTAUGNBK-RBUKOAKNSA-N 2 1 286.463 3.834 20 0 CHADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cc1 ZINC001204174591 1133415171 /nfs/dbraw/zinc/41/51/71/1133415171.db2.gz YLBKMACTAUGNBK-RBUKOAKNSA-N 2 1 286.463 3.834 20 0 CHADMP Cc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cc1 ZINC001204174591 1133415174 /nfs/dbraw/zinc/41/51/74/1133415174.db2.gz YLBKMACTAUGNBK-RBUKOAKNSA-N 2 1 286.463 3.834 20 0 CHADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC001204592080 1133465475 /nfs/dbraw/zinc/46/54/75/1133465475.db2.gz LNNCFNYJPZCNIC-NZSAHSFTSA-N 2 1 292.511 3.867 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)C1 ZINC001204592080 1133465480 /nfs/dbraw/zinc/46/54/80/1133465480.db2.gz LNNCFNYJPZCNIC-NZSAHSFTSA-N 2 1 292.511 3.867 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC001204592080 1133465482 /nfs/dbraw/zinc/46/54/82/1133465482.db2.gz LNNCFNYJPZCNIC-NZSAHSFTSA-N 2 1 292.511 3.867 20 0 CHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCC[NH2+]C1CCCCC1 ZINC001204599347 1133465522 /nfs/dbraw/zinc/46/55/22/1133465522.db2.gz XLTQMZIKKIOQPF-GASCZTMLSA-N 2 1 252.446 3.562 20 0 CHADMP CCC[N@@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)[C@@H](C)CC ZINC001204629423 1133469352 /nfs/dbraw/zinc/46/93/52/1133469352.db2.gz BSQVNULIHXZZAH-HNNXBMFYSA-N 2 1 299.462 3.755 20 0 CHADMP Clc1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)C[NH2+]C3)CC2 ZINC001204854991 1133492821 /nfs/dbraw/zinc/49/28/21/1133492821.db2.gz XKPJWAUFEMTCEV-UHFFFAOYSA-N 2 1 298.817 3.502 20 0 CHADMP Clc1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)C[NH2+]C3)CC2 ZINC001204854991 1133492824 /nfs/dbraw/zinc/49/28/24/1133492824.db2.gz XKPJWAUFEMTCEV-UHFFFAOYSA-N 2 1 298.817 3.502 20 0 CHADMP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001204933980 1133503001 /nfs/dbraw/zinc/50/30/01/1133503001.db2.gz YWIHGRABLXWEEG-SFHVURJKSA-N 2 1 298.405 3.806 20 0 CHADMP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001204933980 1133503005 /nfs/dbraw/zinc/50/30/05/1133503005.db2.gz YWIHGRABLXWEEG-SFHVURJKSA-N 2 1 298.405 3.806 20 0 CHADMP C[C@]1([NH3+])CCC[N@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001204947142 1133505588 /nfs/dbraw/zinc/50/55/88/1133505588.db2.gz WAEYIPKZYCNPIC-IBGZPJMESA-N 2 1 298.405 3.806 20 0 CHADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001204947142 1133505592 /nfs/dbraw/zinc/50/55/92/1133505592.db2.gz WAEYIPKZYCNPIC-IBGZPJMESA-N 2 1 298.405 3.806 20 0 CHADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205093895 1133527311 /nfs/dbraw/zinc/52/73/11/1133527311.db2.gz HMVDFYCDBRKKCC-LPHOPBHVSA-N 2 1 288.479 3.802 20 0 CHADMP Cc1c(C)c(C)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(C)c1C ZINC001205110058 1133530764 /nfs/dbraw/zinc/53/07/64/1133530764.db2.gz NSDUUBHMMANSQE-QGZVFWFLSA-N 2 1 274.452 3.542 20 0 CHADMP CCCCOc1cccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205273249 1133553301 /nfs/dbraw/zinc/55/33/01/1133553301.db2.gz ISZFSNWXOYTZFY-SFHVURJKSA-N 2 1 290.451 3.569 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205281319 1133554800 /nfs/dbraw/zinc/55/48/00/1133554800.db2.gz SGNDIGGPTYVWCD-IBGZPJMESA-N 2 1 282.431 3.852 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2ccccc2-c2ccccc2)C[C@@H]1C[NH3+] ZINC001205304288 1133556616 /nfs/dbraw/zinc/55/66/16/1133556616.db2.gz NOFZICZJGRHSNA-LPHOPBHVSA-N 2 1 294.442 3.770 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c2ccccc12 ZINC001205304328 1133557053 /nfs/dbraw/zinc/55/70/53/1133557053.db2.gz NUWMCCKRMYELIE-PBHICJAKSA-N 2 1 282.431 3.565 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2)C[C@@H]1C[NH3+] ZINC001205305031 1133558304 /nfs/dbraw/zinc/55/83/04/1133558304.db2.gz QOTXRWUJYAUALK-JXFKEZNVSA-N 2 1 294.442 3.770 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1CC[NH2+]CC[C@@H]1C ZINC001205330976 1133562210 /nfs/dbraw/zinc/56/22/10/1133562210.db2.gz BOFRZAGLFPUUPX-KRWDZBQOSA-N 2 1 294.442 3.846 20 0 CHADMP Cc1ccc(-c2cccc(C[N@H+]3CC[NH2+]CC[C@@H]3C)c2)cc1 ZINC001205331494 1133562522 /nfs/dbraw/zinc/56/25/22/1133562522.db2.gz GZEYPGIFMJDNAH-KRWDZBQOSA-N 2 1 294.442 3.846 20 0 CHADMP Cc1ccc(-c2cccc(C[N@@H+]3CC[NH2+]CC[C@@H]3C)c2)cc1 ZINC001205331494 1133562527 /nfs/dbraw/zinc/56/25/27/1133562527.db2.gz GZEYPGIFMJDNAH-KRWDZBQOSA-N 2 1 294.442 3.846 20 0 CHADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C3CC3)c(C3CC3)c2)C1 ZINC001205385786 1133572464 /nfs/dbraw/zinc/57/24/64/1133572464.db2.gz QJJVUZHWRNXPHB-INIZCTEOSA-N 2 1 298.474 3.825 20 0 CHADMP CC1(C)CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC001205554196 1133587425 /nfs/dbraw/zinc/58/74/25/1133587425.db2.gz BKMCXXPNXSFSQM-NVXWUHKLSA-N 2 1 278.484 3.952 20 0 CHADMP C[C@]1(C[NH2+][C@H]2C[C@@H]3CCC[C@@H]32)CC[N@@H+](Cc2ccccc2)C1 ZINC001205583711 1133590611 /nfs/dbraw/zinc/59/06/11/1133590611.db2.gz SNROMTCXEBCMOT-LWYYNNOASA-N 2 1 298.474 3.677 20 0 CHADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cccc3sccc32)CC1 ZINC001205578420 1133590674 /nfs/dbraw/zinc/59/06/74/1133590674.db2.gz BKJBWGSMXIAYQL-INIZCTEOSA-N 2 1 292.423 3.554 20 0 CHADMP Cc1csc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1Cl ZINC001205616166 1133595037 /nfs/dbraw/zinc/59/50/37/1133595037.db2.gz DFBWCLZBLGTOKK-PWSUYJOCSA-N 2 1 286.872 3.517 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c2ccccc12 ZINC001205618503 1133596414 /nfs/dbraw/zinc/59/64/14/1133596414.db2.gz WQKOJZOGKVSNFF-NVXWUHKLSA-N 2 1 296.458 3.955 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205629476 1133597304 /nfs/dbraw/zinc/59/73/04/1133597304.db2.gz ZCBDKFODLWJIRH-MAUKXSAKSA-N 2 1 296.458 3.955 20 0 CHADMP Cc1ccc(F)c(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c1 ZINC001205648593 1133598488 /nfs/dbraw/zinc/59/84/88/1133598488.db2.gz VNBTUAOUDWCJNR-UHFFFAOYSA-N 2 1 292.442 3.686 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2ccc(C3CCC3)cc2)CC[C@H]1C[NH3+] ZINC001205651220 1133599678 /nfs/dbraw/zinc/59/96/78/1133599678.db2.gz BDPNUJFPQKZDNL-KXBFYZLASA-N 2 1 286.463 3.761 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1 ZINC001205652519 1133600103 /nfs/dbraw/zinc/60/01/03/1133600103.db2.gz PWQRFKDIVGBSTA-ZFWWWQNUSA-N 2 1 294.870 3.764 20 0 CHADMP Cc1cc(F)cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1Cl ZINC001205654550 1133600172 /nfs/dbraw/zinc/60/01/72/1133600172.db2.gz XFADOIHNWFZTNI-AAEUAGOBSA-N 2 1 298.833 3.594 20 0 CHADMP CC[C@@H](C[N@@H+](CC)CCC[NH+]1CCCC1)c1ccccc1 ZINC001205692101 1133603876 /nfs/dbraw/zinc/60/38/76/1133603876.db2.gz CQAJOQLUPNCKSS-SFHVURJKSA-N 2 1 288.479 3.988 20 0 CHADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001205908013 1133628601 /nfs/dbraw/zinc/62/86/01/1133628601.db2.gz NVOFOESEMOUEPP-LJQANCHMSA-N 2 1 286.463 3.598 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205916206 1133630293 /nfs/dbraw/zinc/63/02/93/1133630293.db2.gz STFGZEZUCLVZOF-ZIAGYGMSSA-N 2 1 280.843 3.516 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205913029 1133630458 /nfs/dbraw/zinc/63/04/58/1133630458.db2.gz GFXBGLOAXVYISG-OCCSQVGLSA-N 2 1 288.460 3.769 20 0 CHADMP [NH3+][C@@H]1CCCC[N@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC001205930593 1133631129 /nfs/dbraw/zinc/63/11/29/1133631129.db2.gz BAUVUEUGJNOGJM-LJQANCHMSA-N 2 1 280.415 3.667 20 0 CHADMP [NH3+][C@@H]1CCCC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC001205930593 1133631132 /nfs/dbraw/zinc/63/11/32/1133631132.db2.gz BAUVUEUGJNOGJM-LJQANCHMSA-N 2 1 280.415 3.667 20 0 CHADMP [NH3+][C@H]1CCCC[N@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001205930810 1133633087 /nfs/dbraw/zinc/63/30/87/1133633087.db2.gz DLYDTQRFNZBWLM-SFHVURJKSA-N 2 1 298.405 3.806 20 0 CHADMP [NH3+][C@H]1CCCC[N@@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001205930810 1133633090 /nfs/dbraw/zinc/63/30/90/1133633090.db2.gz DLYDTQRFNZBWLM-SFHVURJKSA-N 2 1 298.405 3.806 20 0 CHADMP C[C@@H]1C[N@@H+](CCCC2CCCCC2)CCC[C@@H]1C[NH3+] ZINC001205981922 1133638118 /nfs/dbraw/zinc/63/81/18/1133638118.db2.gz JGGBXBSEMNHAHF-NVXWUHKLSA-N 2 1 266.473 3.654 20 0 CHADMP C[C@H]1C[N@@H+](Cc2cc3ccccc3s2)CCC[C@H]1C[NH3+] ZINC001205996578 1133638799 /nfs/dbraw/zinc/63/87/99/1133638799.db2.gz XKLSPRRXHHQSIG-ZFWWWQNUSA-N 2 1 288.460 3.708 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c2ccccc12 ZINC001205996535 1133639368 /nfs/dbraw/zinc/63/93/68/1133639368.db2.gz XDOKWXGKSQRODW-DLBZAZTESA-N 2 1 296.458 3.955 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc(C)c1Cl ZINC001206023758 1133642861 /nfs/dbraw/zinc/64/28/61/1133642861.db2.gz GNQYBDWRVMUIHN-GOEBONIOSA-N 2 1 294.870 3.764 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC001206024103 1133643121 /nfs/dbraw/zinc/64/31/21/1133643121.db2.gz HREGHEYKMZHTJN-CABCVRRESA-N 2 1 294.870 3.764 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206024104 1133643455 /nfs/dbraw/zinc/64/34/55/1133643455.db2.gz HREGHEYKMZHTJN-GJZGRUSLSA-N 2 1 294.870 3.764 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2cccc3sccc32)CCC[C@H]1C[NH3+] ZINC001206026923 1133644225 /nfs/dbraw/zinc/64/42/25/1133644225.db2.gz VCICTJWURHVKRH-KGLIPLIRSA-N 2 1 288.460 3.708 20 0 CHADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC001206049952 1133649587 /nfs/dbraw/zinc/64/95/87/1133649587.db2.gz VZGBKDKIXXFJOQ-GOSISDBHSA-N 2 1 284.378 3.622 20 0 CHADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1cccc(-c2ccccc2)c1 ZINC001206262709 1133678540 /nfs/dbraw/zinc/67/85/40/1133678540.db2.gz FJPWKAWESBTKEE-INIZCTEOSA-N 2 1 280.415 3.537 20 0 CHADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1cccc(-c2ccccc2)c1 ZINC001206262709 1133678542 /nfs/dbraw/zinc/67/85/42/1133678542.db2.gz FJPWKAWESBTKEE-INIZCTEOSA-N 2 1 280.415 3.537 20 0 CHADMP Cc1c(C[N@@H+]2CC[NH2+]C[C@@H](C)C2)cccc1-c1ccccc1 ZINC001206284415 1133683037 /nfs/dbraw/zinc/68/30/37/1133683037.db2.gz DBEBRUYJYQSIOK-MRXNPFEDSA-N 2 1 294.442 3.703 20 0 CHADMP C[C@H](CC[N@H+]1CCC[C@@](C)(C[NH3+])CC1)CC(C)(C)C ZINC001206295872 1133685410 /nfs/dbraw/zinc/68/54/10/1133685410.db2.gz OLGWZKKQSYEFBD-NVXWUHKLSA-N 2 1 268.489 3.900 20 0 CHADMP CCn1ccc2ccc(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)cc21 ZINC001206305221 1133686776 /nfs/dbraw/zinc/68/67/76/1133686776.db2.gz WGYKUGIYHRABAT-IBGZPJMESA-N 2 1 299.462 3.612 20 0 CHADMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206310939 1133687972 /nfs/dbraw/zinc/68/79/72/1133687972.db2.gz FVUHIFDFMCLHFA-LJQANCHMSA-N 2 1 288.479 3.935 20 0 CHADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC001206548914 1133715069 /nfs/dbraw/zinc/71/50/69/1133715069.db2.gz KPMXENBCSLDYIA-KRWDZBQOSA-N 2 1 288.460 3.852 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206542337 1133715655 /nfs/dbraw/zinc/71/56/55/1133715655.db2.gz YNQCGMIIOBZRJG-IRXDYDNUSA-N 2 1 266.473 3.820 20 0 CHADMP CCn1ccc2ccc(C[N@H+]3CCCC[C@](C)(C[NH3+])C3)cc21 ZINC001206548098 1133715715 /nfs/dbraw/zinc/71/57/15/1133715715.db2.gz GFPLPZOFUABRPN-LJQANCHMSA-N 2 1 299.462 3.612 20 0 CHADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC001206548917 1133715850 /nfs/dbraw/zinc/71/58/50/1133715850.db2.gz KPMXENBCSLDYIA-QGZVFWFLSA-N 2 1 288.460 3.852 20 0 CHADMP Cc1ccc([C@@H](C)CC[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)o1 ZINC001206580940 1133722298 /nfs/dbraw/zinc/72/22/98/1133722298.db2.gz GNWAUIDVDOVEFQ-RDJZCZTQSA-N 2 1 292.467 3.934 20 0 CHADMP CC(C)[N@@H+](Cc1cc(F)cc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC001206591287 1133723670 /nfs/dbraw/zinc/72/36/70/1133723670.db2.gz QOFUDWWFVWDXGB-INIZCTEOSA-N 2 1 298.833 3.832 20 0 CHADMP Cc1cc(F)cc(C)c1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206597680 1133725504 /nfs/dbraw/zinc/72/55/04/1133725504.db2.gz DZCVZLUDDHAODK-QGZVFWFLSA-N 2 1 292.442 3.795 20 0 CHADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206606580 1133726687 /nfs/dbraw/zinc/72/66/87/1133726687.db2.gz PYWPPOWDSWDBMO-IAGOWNOFSA-N 2 1 298.515 3.669 20 0 CHADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1CC1(c2ccccc2)CCCC1 ZINC001206760534 1133743627 /nfs/dbraw/zinc/74/36/27/1133743627.db2.gz JCRAOKMRKWHCLY-IAGOWNOFSA-N 2 1 286.463 3.558 20 0 CHADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206761294 1133743777 /nfs/dbraw/zinc/74/37/77/1133743777.db2.gz WDAWPGXZMMHREV-ULQDDVLXSA-N 2 1 298.515 3.667 20 0 CHADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(F)c2ccccc12 ZINC001206767884 1133746194 /nfs/dbraw/zinc/74/61/94/1133746194.db2.gz FVSBECOTBMGAFL-ZIAGYGMSSA-N 2 1 286.394 3.538 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206770182 1133746374 /nfs/dbraw/zinc/74/63/74/1133746374.db2.gz RWFSEBMDSUIROU-JKSUJKDBSA-N 2 1 282.431 3.707 20 0 CHADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cccc2c(F)cccc12 ZINC001206811443 1133750980 /nfs/dbraw/zinc/75/09/80/1133750980.db2.gz UPSZZBCVTAQHJT-ZIAGYGMSSA-N 2 1 286.394 3.538 20 0 CHADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc(C)c1Cl ZINC001206811397 1133751240 /nfs/dbraw/zinc/75/12/40/1133751240.db2.gz SYHRHDGFYYWNFL-ZIAGYGMSSA-N 2 1 280.843 3.516 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000164606626 1133758886 /nfs/dbraw/zinc/75/88/86/1133758886.db2.gz JABGKNXUBBIUEO-HZPDHXFCSA-N 2 1 285.435 3.754 20 0 CHADMP CC(C)C1CC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC001207186244 1133776419 /nfs/dbraw/zinc/77/64/19/1133776419.db2.gz VMXNTCHFKDRRKJ-LEOMRAHMSA-N 2 1 278.484 3.808 20 0 CHADMP CC(C)C1CC([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001207186244 1133776424 /nfs/dbraw/zinc/77/64/24/1133776424.db2.gz VMXNTCHFKDRRKJ-LEOMRAHMSA-N 2 1 278.484 3.808 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)C[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001207195332 1133778042 /nfs/dbraw/zinc/77/80/42/1133778042.db2.gz FQWHXLKCOJANDG-WBVHZDCISA-N 2 1 294.870 3.717 20 0 CHADMP CC1([NH+]2CCC2)CC[NH+](Cc2ccc3c(c2)CCCC3)CC1 ZINC001207295036 1133789185 /nfs/dbraw/zinc/78/91/85/1133789185.db2.gz WTZAVFKBQXJPBU-UHFFFAOYSA-N 2 1 298.474 3.626 20 0 CHADMP CC[N@H+](Cc1c(F)cccc1Cl)CC1CC[NH+](C)CC1 ZINC001207399675 1133797901 /nfs/dbraw/zinc/79/79/01/1133797901.db2.gz QLGWWJKQHZBQJP-UHFFFAOYSA-N 2 1 298.833 3.643 20 0 CHADMP Cc1ccc([C@H]2CCC[N@@H+]2CCC2CC[NH+](C)CC2)cc1 ZINC001207483021 1133805787 /nfs/dbraw/zinc/80/57/87/1133805787.db2.gz BXBWHBHUGNCQQH-LJQANCHMSA-N 2 1 286.463 3.864 20 0 CHADMP C[N@@H+](CCC1CC[NH+](C)CC1)Cc1cccc(Cl)c1 ZINC001207485786 1133806578 /nfs/dbraw/zinc/80/65/78/1133806578.db2.gz YIMIDDKPDIRZOL-UHFFFAOYSA-N 2 1 280.843 3.504 20 0 CHADMP C[NH+](C)CC1(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)CCCC1 ZINC001208185680 1133901817 /nfs/dbraw/zinc/90/18/17/1133901817.db2.gz HOOJKBFXVTVCPT-SJORKVTESA-N 2 1 278.484 3.763 20 0 CHADMP CC[N@H+](Cc1ccc(C)c(C)c1)CC1CC[NH+](CC)CC1 ZINC001208602337 1133918683 /nfs/dbraw/zinc/91/86/83/1133918683.db2.gz BZDXFMUJORMGJR-UHFFFAOYSA-N 2 1 288.479 3.857 20 0 CHADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC001208610019 1133920243 /nfs/dbraw/zinc/92/02/43/1133920243.db2.gz YALSCEFQJQIWKO-RHSMWYFYSA-N 2 1 292.854 3.819 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC001208610019 1133920249 /nfs/dbraw/zinc/92/02/49/1133920249.db2.gz YALSCEFQJQIWKO-RHSMWYFYSA-N 2 1 292.854 3.819 20 0 CHADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC001208610019 1133920252 /nfs/dbraw/zinc/92/02/52/1133920252.db2.gz YALSCEFQJQIWKO-RHSMWYFYSA-N 2 1 292.854 3.819 20 0 CHADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC001208610019 1133920257 /nfs/dbraw/zinc/92/02/57/1133920257.db2.gz YALSCEFQJQIWKO-RHSMWYFYSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@H](CCN1CC2(C1)CC[N@@H+](CC1CC1)C2)CC(C)(C)C ZINC001208653168 1133922467 /nfs/dbraw/zinc/92/24/67/1133922467.db2.gz GHBDZSKMEDFRPF-MRXNPFEDSA-N 2 1 292.511 3.867 20 0 CHADMP C[C@H](CC[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2)CC(C)(C)C ZINC001208653168 1133922473 /nfs/dbraw/zinc/92/24/73/1133922473.db2.gz GHBDZSKMEDFRPF-MRXNPFEDSA-N 2 1 292.511 3.867 20 0 CHADMP C[C@H](CC[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2)CC(C)(C)C ZINC001208653168 1133922479 /nfs/dbraw/zinc/92/24/79/1133922479.db2.gz GHBDZSKMEDFRPF-MRXNPFEDSA-N 2 1 292.511 3.867 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC34CC4)C2)cc1 ZINC001208954090 1133966253 /nfs/dbraw/zinc/96/62/53/1133966253.db2.gz UHSFDARPBHDBDW-SFHVURJKSA-N 2 1 284.447 3.527 20 0 CHADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CCCCC34CC4)C2)cc1 ZINC001208954090 1133966256 /nfs/dbraw/zinc/96/62/56/1133966256.db2.gz UHSFDARPBHDBDW-SFHVURJKSA-N 2 1 284.447 3.527 20 0 CHADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CCCCC34CC4)C2)cc1 ZINC001208954090 1133966261 /nfs/dbraw/zinc/96/62/61/1133966261.db2.gz UHSFDARPBHDBDW-SFHVURJKSA-N 2 1 284.447 3.527 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CC4(C3)CCCCC4)C2)cc1 ZINC001208951272 1133966749 /nfs/dbraw/zinc/96/67/49/1133966749.db2.gz AYIATBKRIXPHGP-LJQANCHMSA-N 2 1 298.474 3.775 20 0 CHADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC001208947466 1133967441 /nfs/dbraw/zinc/96/74/41/1133967441.db2.gz KLTWQNMXUCUDDR-SFHVURJKSA-N 2 1 286.463 3.773 20 0 CHADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC001208947466 1133967444 /nfs/dbraw/zinc/96/74/44/1133967444.db2.gz KLTWQNMXUCUDDR-SFHVURJKSA-N 2 1 286.463 3.773 20 0 CHADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC001208947466 1133967448 /nfs/dbraw/zinc/96/74/48/1133967448.db2.gz KLTWQNMXUCUDDR-SFHVURJKSA-N 2 1 286.463 3.773 20 0 CHADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@@H]2C[C@H]2C)CC1 ZINC001209420355 1134014239 /nfs/dbraw/zinc/01/42/39/1134014239.db2.gz HZPZAWJPSRFECO-AEFFLSMTSA-N 2 1 286.463 3.629 20 0 CHADMP Fc1ccccc1[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC001209449111 1134023514 /nfs/dbraw/zinc/02/35/14/1134023514.db2.gz RYFJIFLVVJTRQY-SFHVURJKSA-N 2 1 290.426 3.839 20 0 CHADMP Fc1ccccc1[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC001209449111 1134023516 /nfs/dbraw/zinc/02/35/16/1134023516.db2.gz RYFJIFLVVJTRQY-SFHVURJKSA-N 2 1 290.426 3.839 20 0 CHADMP C[C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2)CC[NH2+]1 ZINC001210496087 1134229016 /nfs/dbraw/zinc/22/90/16/1134229016.db2.gz CVGZJTNATOAFFA-MRXNPFEDSA-N 2 1 280.415 3.537 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2)CC[NH2+]1 ZINC001210496087 1134229021 /nfs/dbraw/zinc/22/90/21/1134229021.db2.gz CVGZJTNATOAFFA-MRXNPFEDSA-N 2 1 280.415 3.537 20 0 CHADMP Cc1[nH+]c2ccccn2c1NC1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001210704440 1134275222 /nfs/dbraw/zinc/27/52/22/1134275222.db2.gz HHYFIJZGCZILNV-MRXNPFEDSA-N 2 1 296.418 3.587 20 0 CHADMP CNc1cc(Nc2cc[nH+]c(-c3ccccc3)c2)cc[nH+]1 ZINC001216333211 1134857155 /nfs/dbraw/zinc/85/71/55/1134857155.db2.gz LINLZYVRCGDRTM-UHFFFAOYSA-N 2 1 276.343 3.929 20 0 CHADMP CCC[C@H](CC)Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001218214094 1135070625 /nfs/dbraw/zinc/07/06/25/1135070625.db2.gz KVSJIQGIPTVUQX-KRWDZBQOSA-N 2 1 290.451 3.567 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309636970 1135089925 /nfs/dbraw/zinc/08/99/25/1135089925.db2.gz ABMMXQFYVWQLAE-BHIYHBOVSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@@H](CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)CC(C)(C)C ZINC001222141094 1135198550 /nfs/dbraw/zinc/19/85/50/1135198550.db2.gz DUCHHTALELGFAN-RDJZCZTQSA-N 2 1 266.473 3.524 20 0 CHADMP CCC[C@@H](C)C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222153884 1135200997 /nfs/dbraw/zinc/20/09/97/1135200997.db2.gz CAAOEKWCQMBBFG-IAGOWNOFSA-N 2 1 266.473 3.668 20 0 CHADMP Cc1cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)oc1C ZINC001222160250 1135203089 /nfs/dbraw/zinc/20/30/89/1135203089.db2.gz DDVUEGVEZIDEJX-GOSISDBHSA-N 2 1 290.451 3.642 20 0 CHADMP CC(C)(CC[N@H+]1CCC[C@@]12CCC[NH2+]C2)c1ccccc1 ZINC001222230623 1135210744 /nfs/dbraw/zinc/21/07/44/1135210744.db2.gz BQXPRCOXAOVMJY-LJQANCHMSA-N 2 1 286.463 3.572 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222232516 1135211416 /nfs/dbraw/zinc/21/14/16/1135211416.db2.gz VVAFFQJRHOLYCZ-MSOLQXFVSA-N 2 1 278.484 3.977 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222247340 1135214339 /nfs/dbraw/zinc/21/43/39/1135214339.db2.gz DBZPMVUUPRTLQF-HXUWFJFHSA-N 2 1 294.442 3.866 20 0 CHADMP c1cc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c2cccccc1-2 ZINC001222253501 1135214370 /nfs/dbraw/zinc/21/43/70/1135214370.db2.gz PNWDLYNZDIVKPJ-IBGZPJMESA-N 2 1 280.415 3.509 20 0 CHADMP c1cc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c2cccccc1-2 ZINC001222253501 1135214375 /nfs/dbraw/zinc/21/43/75/1135214375.db2.gz PNWDLYNZDIVKPJ-IBGZPJMESA-N 2 1 280.415 3.509 20 0 CHADMP c1cc2c(cccc2C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)s1 ZINC001222252449 1135214746 /nfs/dbraw/zinc/21/47/46/1135214746.db2.gz DNNXSSLWIHOXON-QGZVFWFLSA-N 2 1 286.444 3.619 20 0 CHADMP c1cc2c(cccc2C[N@H+]2CCC[C@@]23CCC[NH2+]C3)s1 ZINC001222252449 1135214748 /nfs/dbraw/zinc/21/47/48/1135214748.db2.gz DNNXSSLWIHOXON-QGZVFWFLSA-N 2 1 286.444 3.619 20 0 CHADMP CC1=CC[C@H](CC[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)C1(C)C ZINC001222259151 1135216275 /nfs/dbraw/zinc/21/62/75/1135216275.db2.gz LLPKMXFLLYOCBL-IEBWSBKVSA-N 2 1 290.495 3.835 20 0 CHADMP c1oc2ccccc2c1C[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001222293293 1135219704 /nfs/dbraw/zinc/21/97/04/1135219704.db2.gz SYRXATMYEUGVJG-UHFFFAOYSA-N 2 1 284.403 3.541 20 0 CHADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@]23CCC[NH2+]CC3)CC1 ZINC001222308372 1135221790 /nfs/dbraw/zinc/22/17/90/1135221790.db2.gz JLGWLPCRKPHKLX-BZSNNMDCSA-N 2 1 276.468 3.587 20 0 CHADMP Fc1ccc(Cl)cc1C[N@@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222309260 1135222801 /nfs/dbraw/zinc/22/28/01/1135222801.db2.gz PBFLUTDAEFSYJX-MRXNPFEDSA-N 2 1 296.817 3.587 20 0 CHADMP Fc1ccc(Cl)cc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222309260 1135222805 /nfs/dbraw/zinc/22/28/05/1135222805.db2.gz PBFLUTDAEFSYJX-MRXNPFEDSA-N 2 1 296.817 3.587 20 0 CHADMP c1ccc(C2CC2)c(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222315342 1135224248 /nfs/dbraw/zinc/22/42/48/1135224248.db2.gz NAYQQRCFIXYSEN-IBGZPJMESA-N 2 1 284.447 3.672 20 0 CHADMP CC(C)c1ccccc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222315413 1135224266 /nfs/dbraw/zinc/22/42/66/1135224266.db2.gz NJBFTBSEQVIQAG-LJQANCHMSA-N 2 1 286.463 3.918 20 0 CHADMP Clc1cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)cs1 ZINC001222316233 1135225318 /nfs/dbraw/zinc/22/53/18/1135225318.db2.gz UUTMWLMFBKNNEO-CQSZACIVSA-N 2 1 284.856 3.510 20 0 CHADMP Clc1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cs1 ZINC001222316233 1135225323 /nfs/dbraw/zinc/22/53/23/1135225323.db2.gz UUTMWLMFBKNNEO-CQSZACIVSA-N 2 1 284.856 3.510 20 0 CHADMP Cc1[nH]c2ccccc2c1C[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385815 1135234656 /nfs/dbraw/zinc/23/46/56/1135234656.db2.gz XLPUPUMTPAQJMD-LJQANCHMSA-N 2 1 297.446 3.584 20 0 CHADMP Cc1[nH]c2ccccc2c1C[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385815 1135234659 /nfs/dbraw/zinc/23/46/59/1135234659.db2.gz XLPUPUMTPAQJMD-LJQANCHMSA-N 2 1 297.446 3.584 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222422217 1135241005 /nfs/dbraw/zinc/24/10/05/1135241005.db2.gz SVNOOJGNRZNGMD-ROUUACIJSA-N 2 1 278.484 3.977 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222422217 1135241010 /nfs/dbraw/zinc/24/10/10/1135241010.db2.gz SVNOOJGNRZNGMD-ROUUACIJSA-N 2 1 278.484 3.977 20 0 CHADMP C[N@@H+](Cc1cccc(-c2ccccc2)c1)C1CC[NH2+]CC1 ZINC000347190926 529992747 /nfs/dbraw/zinc/99/27/47/529992747.db2.gz FKPQNVHFZWXPPT-UHFFFAOYSA-N 2 1 280.415 3.537 20 0 CHADMP CCC[NH+]1CCC(Nc2[nH+]ccc3ccc(C)cc32)CC1 ZINC000574515227 335025513 /nfs/dbraw/zinc/02/55/13/335025513.db2.gz CCTRNGOQNCSBFN-UHFFFAOYSA-N 2 1 283.419 3.830 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCC23CC3)c1 ZINC000574585230 335032368 /nfs/dbraw/zinc/03/23/68/335032368.db2.gz SLZGFFUPDSCAGJ-QGZVFWFLSA-N 2 1 272.436 3.561 20 0 CHADMP CSc1ccc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1F ZINC000348008527 533006055 /nfs/dbraw/zinc/00/60/55/533006055.db2.gz IIKTWGNCCMJGCR-NEPJUHHUSA-N 2 1 284.444 3.538 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]C1(c2ccccc2)CCCC1 ZINC000341865762 130080922 /nfs/dbraw/zinc/08/09/22/130080922.db2.gz JRFNCWTUYUAHNB-UHFFFAOYSA-N 2 1 283.419 3.641 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@H](C)c2cccc(Cl)c2)CC1 ZINC000020189926 171056368 /nfs/dbraw/zinc/05/63/68/171056368.db2.gz MAUZMABAROFGNT-CYBMUJFWSA-N 2 1 280.843 3.865 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)c(C)o1 ZINC000038041925 174043948 /nfs/dbraw/zinc/04/39/48/174043948.db2.gz HIBCNLWPKQVJOG-ZFWWWQNUSA-N 2 1 278.440 3.669 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c(C)o1 ZINC000038041922 174044184 /nfs/dbraw/zinc/04/41/84/174044184.db2.gz HIBCNLWPKQVJOG-UKRRQHHQSA-N 2 1 278.440 3.669 20 0 CHADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC000347088450 226045458 /nfs/dbraw/zinc/04/54/58/226045458.db2.gz FCHCJFXSBCXYMP-QGZVFWFLSA-N 2 1 280.415 3.524 20 0 CHADMP Cc1ccc(CCC[N@H+](C)[C@H]2CCC[C@@H](C)C2)cn1 ZINC000353380761 228093353 /nfs/dbraw/zinc/09/33/53/228093353.db2.gz LHNLUTJZTIOTBP-PBHICJAKSA-N 2 1 260.425 3.833 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]2C)cc1 ZINC000353777240 228152537 /nfs/dbraw/zinc/15/25/37/228152537.db2.gz XDSMBAGTRYFRRW-IIYDPXPESA-N 2 1 269.392 3.630 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000038098031 260125513 /nfs/dbraw/zinc/12/55/13/260125513.db2.gz QYMHCJSGSNBIQH-GOSISDBHSA-N 2 1 286.463 3.873 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@H](C)c2cccc(Cl)c2)C1 ZINC000516815504 260132798 /nfs/dbraw/zinc/13/27/98/260132798.db2.gz UGDVLMUQSIOQTL-LSDHHAIUSA-N 2 1 294.870 3.763 20 0 CHADMP CSc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000091959892 260267437 /nfs/dbraw/zinc/26/74/37/260267437.db2.gz LJMYAGNKCUUPPZ-KCQAQPDRSA-N 2 1 278.465 3.542 20 0 CHADMP CSc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000091959892 260267438 /nfs/dbraw/zinc/26/74/38/260267438.db2.gz LJMYAGNKCUUPPZ-KCQAQPDRSA-N 2 1 278.465 3.542 20 0 CHADMP CCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000313428952 260293090 /nfs/dbraw/zinc/29/30/90/260293090.db2.gz OSANKKKQJWFYAB-ULQDDVLXSA-N 2 1 264.457 3.562 20 0 CHADMP C/C(=C/c1ccccc1)C[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000518269487 260364690 /nfs/dbraw/zinc/36/46/90/260364690.db2.gz DCWOTZMICKNYQQ-LYDJUCFBSA-N 2 1 286.463 3.800 20 0 CHADMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000129973822 260392006 /nfs/dbraw/zinc/39/20/06/260392006.db2.gz MDCVGBCBUOZKJT-KRWDZBQOSA-N 2 1 290.426 3.666 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2c(c1)CCCC2 ZINC000161643485 261107460 /nfs/dbraw/zinc/10/74/60/261107460.db2.gz GHQGOGPEJREOJE-RYGJVYDSSA-N 2 1 298.474 3.843 20 0 CHADMP Cc1cc[nH+]c(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000301644191 261339213 /nfs/dbraw/zinc/33/92/13/261339213.db2.gz NBXXGZLKPPQEKJ-AEFFLSMTSA-N 2 1 295.430 3.713 20 0 CHADMP Cc1cc[nH+]c(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000301644191 261339216 /nfs/dbraw/zinc/33/92/16/261339216.db2.gz NBXXGZLKPPQEKJ-AEFFLSMTSA-N 2 1 295.430 3.713 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000165623843 261373862 /nfs/dbraw/zinc/37/38/62/261373862.db2.gz YEHOJCIBJWDBNL-OAHLLOKOSA-N 2 1 271.408 3.549 20 0 CHADMP CC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000108941326 261389783 /nfs/dbraw/zinc/38/97/83/261389783.db2.gz XCUVDSJOCIHWKX-UHFFFAOYSA-N 2 1 286.463 3.821 20 0 CHADMP Cc1cncc([C@@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)c1 ZINC000184262330 262014225 /nfs/dbraw/zinc/01/42/25/262014225.db2.gz QIBCINJIFYRTKI-QGZVFWFLSA-N 2 1 297.446 3.563 20 0 CHADMP Cc1cncc([C@@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)c1 ZINC000184262330 262014227 /nfs/dbraw/zinc/01/42/27/262014227.db2.gz QIBCINJIFYRTKI-QGZVFWFLSA-N 2 1 297.446 3.563 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CCC2)[C@@H]2CCC[C@@H]21 ZINC000514088531 262185200 /nfs/dbraw/zinc/18/52/00/262185200.db2.gz MBNVPHFZMMMIDW-FHWLQOOXSA-N 2 1 298.474 3.571 20 0 CHADMP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cccs1 ZINC000019913255 262206177 /nfs/dbraw/zinc/20/61/77/262206177.db2.gz VBBVIXOTFQMKHE-OAHLLOKOSA-N 2 1 288.460 3.921 20 0 CHADMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cccs1 ZINC000019913255 262206178 /nfs/dbraw/zinc/20/61/78/262206178.db2.gz VBBVIXOTFQMKHE-OAHLLOKOSA-N 2 1 288.460 3.921 20 0 CHADMP CC(C)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390612298 262229144 /nfs/dbraw/zinc/22/91/44/262229144.db2.gz XDDNSEBTLWPWIE-WMZOPIPTSA-N 2 1 288.479 3.921 20 0 CHADMP CC(C)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390612298 262229145 /nfs/dbraw/zinc/22/91/45/262229145.db2.gz XDDNSEBTLWPWIE-WMZOPIPTSA-N 2 1 288.479 3.921 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H]1C ZINC000390692814 262241365 /nfs/dbraw/zinc/24/13/65/262241365.db2.gz QKEURAFBGKYIMT-WQANYPTNSA-N 2 1 298.474 3.816 20 0 CHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCCC1 ZINC000390707923 262243030 /nfs/dbraw/zinc/24/30/30/262243030.db2.gz GUNJBPVGAZKDRY-GOSISDBHSA-N 2 1 286.463 3.819 20 0 CHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCCC1 ZINC000390707923 262243031 /nfs/dbraw/zinc/24/30/31/262243031.db2.gz GUNJBPVGAZKDRY-GOSISDBHSA-N 2 1 286.463 3.819 20 0 CHADMP CCC1CCC([NH2+]CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000020555354 262250818 /nfs/dbraw/zinc/25/08/18/262250818.db2.gz AQJBSSDVQNZFSN-GTPINHCMSA-N 2 1 266.473 3.809 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000488449049 262324659 /nfs/dbraw/zinc/32/46/59/262324659.db2.gz OMGVIBYKJAIXSW-OWCLPIDISA-N 2 1 298.540 3.617 20 0 CHADMP Cc1cc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(C)s1 ZINC000414185483 262815498 /nfs/dbraw/zinc/81/54/98/262815498.db2.gz OQJRZEJNAUBTCM-DZGCQCFKSA-N 2 1 280.481 3.747 20 0 CHADMP Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414668487 263026056 /nfs/dbraw/zinc/02/60/56/263026056.db2.gz AAZXCONRAZYAHN-BQFCYCMXSA-N 2 1 272.436 3.520 20 0 CHADMP [NH3+]CCC[N@@H+]1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000414689492 263032658 /nfs/dbraw/zinc/03/26/58/263032658.db2.gz GMQIOGQWAKMZMQ-AWEZNQCLSA-N 2 1 286.341 3.581 20 0 CHADMP [NH3+]CCC[N@H+]1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000414689492 263032659 /nfs/dbraw/zinc/03/26/59/263032659.db2.gz GMQIOGQWAKMZMQ-AWEZNQCLSA-N 2 1 286.341 3.581 20 0 CHADMP CC[C@H](C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000414788840 263048497 /nfs/dbraw/zinc/04/84/97/263048497.db2.gz XJYZNWNBFXMAJF-BHIYHBOVSA-N 2 1 286.463 3.502 20 0 CHADMP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414833448 263056516 /nfs/dbraw/zinc/05/65/16/263056516.db2.gz FSWMAHFEMXCXKR-MPGHIAIKSA-N 2 1 274.452 3.676 20 0 CHADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)CCc1ccc(Cl)s1 ZINC000414855831 263071904 /nfs/dbraw/zinc/07/19/04/263071904.db2.gz XKSKRXWVPOXCDA-NEPJUHHUSA-N 2 1 288.888 3.686 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000282997874 263080189 /nfs/dbraw/zinc/08/01/89/263080189.db2.gz GAAOFOSRQFDAPP-NEPXVJNWSA-N 2 1 286.463 3.500 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+](C1CC1)[C@H]1CCc2ccccc21 ZINC000340370031 263119905 /nfs/dbraw/zinc/11/99/05/263119905.db2.gz KIDCMCUBBWSWDS-LPHOPBHVSA-N 2 1 284.447 3.623 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000340370031 263119906 /nfs/dbraw/zinc/11/99/06/263119906.db2.gz KIDCMCUBBWSWDS-LPHOPBHVSA-N 2 1 284.447 3.623 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000340370031 263119907 /nfs/dbraw/zinc/11/99/07/263119907.db2.gz KIDCMCUBBWSWDS-LPHOPBHVSA-N 2 1 284.447 3.623 20 0 CHADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000414963455 263167630 /nfs/dbraw/zinc/16/76/30/263167630.db2.gz TXHYFHJJWPMLDR-KUHUBIRLSA-N 2 1 298.405 3.580 20 0 CHADMP Cc1cc2cc(C[NH2+][C@@H]3CC[NH2+]CC3(C)C)oc2cc1C ZINC000414974672 263175919 /nfs/dbraw/zinc/17/59/19/263175919.db2.gz NWSGEHZXVUWSRW-QGZVFWFLSA-N 2 1 286.419 3.527 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1csc(Cl)c1 ZINC000453391568 263260438 /nfs/dbraw/zinc/26/04/38/263260438.db2.gz DUOVOXGDDOBVSB-LLVKDONJSA-N 2 1 286.872 3.927 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]CCC(C)(C)C)C1 ZINC000187671135 263266012 /nfs/dbraw/zinc/26/60/12/263266012.db2.gz OEPYKMVYOSPPOI-OAHLLOKOSA-N 2 1 254.462 3.524 20 0 CHADMP CCc1ccccc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415084914 263268641 /nfs/dbraw/zinc/26/86/41/263268641.db2.gz PFEOUKHXRSPGME-UXHICEINSA-N 2 1 294.442 3.832 20 0 CHADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000415096626 263273192 /nfs/dbraw/zinc/27/31/92/263273192.db2.gz BUFYCKHCNBBITN-ZWNOBZJWSA-N 2 1 287.234 3.614 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccsc2)c1 ZINC000065976585 265006826 /nfs/dbraw/zinc/00/68/26/265006826.db2.gz HGUWGKYUYZHLOV-UHFFFAOYSA-N 2 1 288.460 3.878 20 0 CHADMP Cc1ccc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)o1 ZINC000065976583 265006843 /nfs/dbraw/zinc/00/68/43/265006843.db2.gz HRCUOGOSJXTRRL-UHFFFAOYSA-N 2 1 286.419 3.718 20 0 CHADMP CC1(C)CC[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000314691659 265178213 /nfs/dbraw/zinc/17/82/13/265178213.db2.gz LSLWAVKKQCMVFL-DNVCBOLYSA-N 2 1 298.474 3.873 20 0 CHADMP CC(C)C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000093978103 265206276 /nfs/dbraw/zinc/20/62/76/265206276.db2.gz VVEXBXDTJRSNSK-SZMVWBNQSA-N 2 1 274.452 3.846 20 0 CHADMP CC(C)C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000093978103 265206280 /nfs/dbraw/zinc/20/62/80/265206280.db2.gz VVEXBXDTJRSNSK-SZMVWBNQSA-N 2 1 274.452 3.846 20 0 CHADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1cc(F)cc(F)c1 ZINC000094827105 265259586 /nfs/dbraw/zinc/25/95/86/265259586.db2.gz PYQZGNUPUOOCIY-UONOGXRCSA-N 2 1 296.405 3.737 20 0 CHADMP CC(C)CC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CCCC1 ZINC000094873690 265267829 /nfs/dbraw/zinc/26/78/29/265267829.db2.gz SGMGZYLCVLLKBM-IXDOHACOSA-N 2 1 280.500 3.911 20 0 CHADMP CCCC[C@@H](C)[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000356505694 266127337 /nfs/dbraw/zinc/12/73/37/266127337.db2.gz MUUATRYAZUGDQR-CQSZACIVSA-N 2 1 286.423 3.586 20 0 CHADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCC[N@@H+](C)C(C)C ZINC000359645217 266613334 /nfs/dbraw/zinc/61/33/34/266613334.db2.gz SBSMGWFCQTWPNT-QGZVFWFLSA-N 2 1 290.451 3.529 20 0 CHADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCC[N@H+](C)C(C)C ZINC000359645217 266613336 /nfs/dbraw/zinc/61/33/36/266613336.db2.gz SBSMGWFCQTWPNT-QGZVFWFLSA-N 2 1 290.451 3.529 20 0 CHADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000360861888 266749006 /nfs/dbraw/zinc/74/90/06/266749006.db2.gz UHKGLONERBXMLG-VXGBXAGGSA-N 2 1 283.485 3.566 20 0 CHADMP CC[C@H](c1ccccc1)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000369384821 267239299 /nfs/dbraw/zinc/23/92/99/267239299.db2.gz UPIMNAXHJMULEK-QGZVFWFLSA-N 2 1 272.436 3.698 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000370477719 267321090 /nfs/dbraw/zinc/32/10/90/267321090.db2.gz QAULIHDZGHNSEV-WCIQWLHISA-N 2 1 298.474 3.713 20 0 CHADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C)cc1 ZINC000563307677 328021710 /nfs/dbraw/zinc/02/17/10/328021710.db2.gz CMDLILGKGUNUHT-OAGGEKHMSA-N 2 1 292.467 3.506 20 0 CHADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000563307677 328021712 /nfs/dbraw/zinc/02/17/12/328021712.db2.gz CMDLILGKGUNUHT-OAGGEKHMSA-N 2 1 292.467 3.506 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCCC1CCCC1 ZINC000531729110 328024010 /nfs/dbraw/zinc/02/40/10/328024010.db2.gz AEXJQQVMZIAYAH-VYDXJSESSA-N 2 1 266.473 3.665 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000531701202 328025932 /nfs/dbraw/zinc/02/59/32/328025932.db2.gz JONAZJGNJJZXOO-RDJZCZTQSA-N 2 1 288.479 3.984 20 0 CHADMP CC[C@@H](C)[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000531701203 328025975 /nfs/dbraw/zinc/02/59/75/328025975.db2.gz JONAZJGNJJZXOO-WBVHZDCISA-N 2 1 288.479 3.984 20 0 CHADMP CC(C)CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)C ZINC000531711786 328027795 /nfs/dbraw/zinc/02/77/95/328027795.db2.gz ZPJBRNGRALNBDN-XHSDSOJGSA-N 2 1 268.489 3.910 20 0 CHADMP CC(C)CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)(C)C ZINC000531711786 328027796 /nfs/dbraw/zinc/02/77/96/328027796.db2.gz ZPJBRNGRALNBDN-XHSDSOJGSA-N 2 1 268.489 3.910 20 0 CHADMP Cn1c[nH+]cc1CCC[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000563349556 328056781 /nfs/dbraw/zinc/05/67/81/328056781.db2.gz GRJHERZPYXLYLQ-LJQANCHMSA-N 2 1 297.446 3.874 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH+]cn2C)C[C@@H](c2ccccc2)C1 ZINC000401786124 328061946 /nfs/dbraw/zinc/06/19/46/328061946.db2.gz UBSSYZUHXVHPNT-RYQLBKOJSA-N 2 1 297.446 3.525 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000268787734 328071798 /nfs/dbraw/zinc/07/17/98/328071798.db2.gz FLRLOTQYFLUMLS-SNVBAGLBSA-N 2 1 298.217 3.849 20 0 CHADMP CC[N@@H+](CCCc1cnccc1C)C1CCCCC1 ZINC000571328416 328108708 /nfs/dbraw/zinc/10/87/08/328108708.db2.gz NRXWFJABHLSXRP-UHFFFAOYSA-N 2 1 260.425 3.977 20 0 CHADMP Cc1ccc([C@H](C)[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)c(C)c1 ZINC000414682938 328213789 /nfs/dbraw/zinc/21/37/89/328213789.db2.gz ZLTWBVSHTFKINU-IKGGRYGDSA-N 2 1 274.452 3.684 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414684952 328214276 /nfs/dbraw/zinc/21/42/76/328214276.db2.gz XPSVKSNSLYWJCX-NUJGCVRESA-N 2 1 272.436 3.520 20 0 CHADMP C[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@@H]1c1cccc(F)c1 ZINC000414709831 328215485 /nfs/dbraw/zinc/21/54/85/328215485.db2.gz QIRQYBWSDNOTPA-BORJPKMPSA-N 2 1 290.426 3.597 20 0 CHADMP C[N@@H+]([C@@H]1CC[C@@](C)(c2ccccc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC000414754742 328220230 /nfs/dbraw/zinc/22/02/30/328220230.db2.gz SCZHGSWZSQHRDX-GUDVDZBRSA-N 2 1 286.463 3.571 20 0 CHADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc(Cl)c1Cl ZINC000414801815 328231756 /nfs/dbraw/zinc/23/17/56/328231756.db2.gz MHCQSMPLCOTTBX-WPRPVWTQSA-N 2 1 293.263 3.662 20 0 CHADMP [NH3+]C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CCCCC1 ZINC000414832436 328233208 /nfs/dbraw/zinc/23/32/08/328233208.db2.gz DMSNISZRQDKQHY-MCIONIFRSA-N 2 1 292.389 3.605 20 0 CHADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC000280853790 328236668 /nfs/dbraw/zinc/23/66/68/328236668.db2.gz BRCABFSKZYUCTJ-SDNTUTLCSA-N 2 1 292.854 3.658 20 0 CHADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC000280853790 328236669 /nfs/dbraw/zinc/23/66/69/328236669.db2.gz BRCABFSKZYUCTJ-SDNTUTLCSA-N 2 1 292.854 3.658 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000534758348 328360290 /nfs/dbraw/zinc/36/02/90/328360290.db2.gz YURUMEHRKCVCIL-RTBURBONSA-N 2 1 286.463 3.524 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000534758348 328360292 /nfs/dbraw/zinc/36/02/92/328360292.db2.gz YURUMEHRKCVCIL-RTBURBONSA-N 2 1 286.463 3.524 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000534758348 328360293 /nfs/dbraw/zinc/36/02/93/328360293.db2.gz YURUMEHRKCVCIL-RTBURBONSA-N 2 1 286.463 3.524 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000534757887 328360404 /nfs/dbraw/zinc/36/04/04/328360404.db2.gz DQUHVGOGBBLCPR-CZUORRHYSA-N 2 1 280.843 3.817 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000534757887 328360405 /nfs/dbraw/zinc/36/04/05/328360405.db2.gz DQUHVGOGBBLCPR-CZUORRHYSA-N 2 1 280.843 3.817 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000534757887 328360407 /nfs/dbraw/zinc/36/04/07/328360407.db2.gz DQUHVGOGBBLCPR-CZUORRHYSA-N 2 1 280.843 3.817 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000534757887 328360408 /nfs/dbraw/zinc/36/04/08/328360408.db2.gz DQUHVGOGBBLCPR-CZUORRHYSA-N 2 1 280.843 3.817 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3ccc(Cl)cc32)C1 ZINC000534973200 328372326 /nfs/dbraw/zinc/37/23/26/328372326.db2.gz BZPBISDWAUXOKP-GUYCJALGSA-N 2 1 292.854 3.649 20 0 CHADMP C1CC1[NH+]1CCC([NH2+][C@H]2CCCCC23CCCC3)CC1 ZINC000312761386 326962681 /nfs/dbraw/zinc/96/26/81/326962681.db2.gz NQPDBTZPWIIIQA-KRWDZBQOSA-N 2 1 276.468 3.706 20 0 CHADMP C[C@H](c1cc(Cl)ccc1Cl)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261587463 327007718 /nfs/dbraw/zinc/00/77/18/327007718.db2.gz JLEXVVQOYFHVAR-MHOHDPQLSA-N 2 1 299.245 3.724 20 0 CHADMP C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261587463 327007719 /nfs/dbraw/zinc/00/77/19/327007719.db2.gz JLEXVVQOYFHVAR-MHOHDPQLSA-N 2 1 299.245 3.724 20 0 CHADMP C[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1c(F)cccc1F ZINC000088163949 327016856 /nfs/dbraw/zinc/01/68/56/327016856.db2.gz DTKVXJLJAXXWES-FUDCBSFHSA-N 2 1 294.389 3.631 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C3CCCC3)cc2)C1 ZINC000584206188 327064128 /nfs/dbraw/zinc/06/41/28/327064128.db2.gz JPGPXGGOQUEBEC-QGZVFWFLSA-N 2 1 286.463 3.776 20 0 CHADMP CC[C@H](c1cccc(OC)c1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000558168259 327077290 /nfs/dbraw/zinc/07/72/90/327077290.db2.gz DYJMXBMBYYLYSD-GOSISDBHSA-N 2 1 290.451 3.564 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000558242359 327081042 /nfs/dbraw/zinc/08/10/42/327081042.db2.gz XPMBOGRBHLKKFZ-GEALJGNFSA-N 2 1 298.474 3.675 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000558242359 327081044 /nfs/dbraw/zinc/08/10/44/327081044.db2.gz XPMBOGRBHLKKFZ-GEALJGNFSA-N 2 1 298.474 3.675 20 0 CHADMP CC[NH+](CC)CC1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000506910175 332781864 /nfs/dbraw/zinc/78/18/64/332781864.db2.gz SCTGHXNRICYSSW-UHFFFAOYSA-N 2 1 296.405 3.519 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC2CC(c3ccccc3)C2)[C@H](C)C1 ZINC000558967708 327135222 /nfs/dbraw/zinc/13/52/22/327135222.db2.gz AEYDOXZKOBXMEL-JVDULTGUSA-N 2 1 286.463 3.500 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CC(c3ccccc3)C2)[C@H](C)C1 ZINC000558967710 327135327 /nfs/dbraw/zinc/13/53/27/327135327.db2.gz AEYDOXZKOBXMEL-JVGQSUMCSA-N 2 1 286.463 3.500 20 0 CHADMP C[C@@H](c1ccccc1Cl)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261567167 327142426 /nfs/dbraw/zinc/14/24/26/327142426.db2.gz HPUOHNFHOKPNHY-RDBSUJKOSA-N 2 1 280.843 3.721 20 0 CHADMP Cc1ccncc1CCC[N@H+]1C[C@H](C)CCC[C@H]1C ZINC000569410335 327173817 /nfs/dbraw/zinc/17/38/17/327173817.db2.gz TUYQAGJTGCULMW-GDBMZVCRSA-N 2 1 260.425 3.833 20 0 CHADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc3ccccc32)C1 ZINC000559504525 327251355 /nfs/dbraw/zinc/25/13/55/327251355.db2.gz FOECVVVSBUZJJK-AZUAARDMSA-N 2 1 294.442 3.756 20 0 CHADMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc(C2CCC2)cc1 ZINC000560525050 327318849 /nfs/dbraw/zinc/31/88/49/327318849.db2.gz DWLTXLDQOKTJCR-KXBFYZLASA-N 2 1 286.463 3.726 20 0 CHADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C2CCC2)cc1 ZINC000560525050 327318851 /nfs/dbraw/zinc/31/88/51/327318851.db2.gz DWLTXLDQOKTJCR-KXBFYZLASA-N 2 1 286.463 3.726 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C2CCC2)cc1 ZINC000560525050 327318852 /nfs/dbraw/zinc/31/88/52/327318852.db2.gz DWLTXLDQOKTJCR-KXBFYZLASA-N 2 1 286.463 3.726 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(C2CCC2)cc1 ZINC000560525050 327318855 /nfs/dbraw/zinc/31/88/55/327318855.db2.gz DWLTXLDQOKTJCR-KXBFYZLASA-N 2 1 286.463 3.726 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(C2CCC2)cc1 ZINC000560525050 327318857 /nfs/dbraw/zinc/31/88/57/327318857.db2.gz DWLTXLDQOKTJCR-KXBFYZLASA-N 2 1 286.463 3.726 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000564689919 327320897 /nfs/dbraw/zinc/32/08/97/327320897.db2.gz MXUKBTMIPWPJCA-JQHSSLGASA-N 2 1 274.452 3.500 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000564689919 327320899 /nfs/dbraw/zinc/32/08/99/327320899.db2.gz MXUKBTMIPWPJCA-JQHSSLGASA-N 2 1 274.452 3.500 20 0 CHADMP CCCC[C@H](C)[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459772603 331299995 /nfs/dbraw/zinc/29/99/95/331299995.db2.gz IPNHXBOBKASZIM-XHSDSOJGSA-N 2 1 254.462 3.523 20 0 CHADMP CCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000560910385 327351884 /nfs/dbraw/zinc/35/18/84/327351884.db2.gz HWQMAZBHBDKUIN-WMZOPIPTSA-N 2 1 286.463 3.819 20 0 CHADMP CCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000560910385 327351885 /nfs/dbraw/zinc/35/18/85/327351885.db2.gz HWQMAZBHBDKUIN-WMZOPIPTSA-N 2 1 286.463 3.819 20 0 CHADMP CC1=CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000561278516 327382180 /nfs/dbraw/zinc/38/21/80/327382180.db2.gz HZSPPCVAULGLDT-PMACEKPBSA-N 2 1 298.474 3.639 20 0 CHADMP CC(C)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000561314203 327385093 /nfs/dbraw/zinc/38/50/93/327385093.db2.gz DIIWWBUTGHTPMT-OAGGEKHMSA-N 2 1 266.473 3.521 20 0 CHADMP CC[C@H]([NH2+]C[C@@H](CC(C)C)[NH+](CC)CC)C1CCOCC1 ZINC000532458862 328779642 /nfs/dbraw/zinc/77/96/42/328779642.db2.gz UXWJPGQMARTBEF-MSOLQXFVSA-N 2 1 298.515 3.538 20 0 CHADMP CC[C@@H](C[NH2+][C@@H]1CCCc2ccccc21)[NH+]1CCCC1 ZINC000360071581 328903311 /nfs/dbraw/zinc/90/33/11/328903311.db2.gz LQXQPZPNWWDMAQ-FUHWJXTLSA-N 2 1 272.436 3.528 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)c2ccccc21 ZINC000377564710 329019239 /nfs/dbraw/zinc/01/92/39/329019239.db2.gz QARCQKVLEZVHHH-GKSFYBEXSA-N 2 1 284.447 3.841 20 0 CHADMP Cc1ccncc1CCC[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000377614078 329020398 /nfs/dbraw/zinc/02/03/98/329020398.db2.gz HGFRBDBUGZQMNZ-IBGZPJMESA-N 2 1 295.430 3.509 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000582615281 329117985 /nfs/dbraw/zinc/11/79/85/329117985.db2.gz SOECEXAIEIINBR-ZDUSSCGKSA-N 2 1 291.826 3.699 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000582615281 329117986 /nfs/dbraw/zinc/11/79/86/329117986.db2.gz SOECEXAIEIINBR-ZDUSSCGKSA-N 2 1 291.826 3.699 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000178703337 329202681 /nfs/dbraw/zinc/20/26/81/329202681.db2.gz DDQACFWAVNRUHC-GDBMZVCRSA-N 2 1 285.435 3.795 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(c2ccccc2)CC1 ZINC000179039214 329203858 /nfs/dbraw/zinc/20/38/58/329203858.db2.gz GBHYSARNTFDSPZ-UHFFFAOYSA-N 2 1 297.446 3.851 20 0 CHADMP CCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CCC1 ZINC000582955456 329293532 /nfs/dbraw/zinc/29/35/32/329293532.db2.gz ZQNKRFHBCXACQB-QZTJIDSGSA-N 2 1 286.463 3.992 20 0 CHADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CCC1 ZINC000582955456 329293533 /nfs/dbraw/zinc/29/35/33/329293533.db2.gz ZQNKRFHBCXACQB-QZTJIDSGSA-N 2 1 286.463 3.992 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2c(C)cc(C)cc2C1 ZINC000186705314 329347747 /nfs/dbraw/zinc/34/77/47/329347747.db2.gz XAXQRJUOJDLHMP-UHFFFAOYSA-N 2 1 297.446 3.647 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2c(C)cc(C)cc2C1 ZINC000186705314 329347749 /nfs/dbraw/zinc/34/77/49/329347749.db2.gz XAXQRJUOJDLHMP-UHFFFAOYSA-N 2 1 297.446 3.647 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(C2CC2)cc1 ZINC000419333081 329717873 /nfs/dbraw/zinc/71/78/73/329717873.db2.gz IFQTXYRDIOZKQJ-AWEZNQCLSA-N 2 1 283.419 3.810 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@@H](CC(C)C)C1 ZINC000509946618 332886451 /nfs/dbraw/zinc/88/64/51/332886451.db2.gz YBFMEKTYGABZRP-DLBZAZTESA-N 2 1 277.456 3.776 20 0 CHADMP c1cc(-c2ccccc2)sc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262142949 330000650 /nfs/dbraw/zinc/00/06/50/330000650.db2.gz ZIWPWVADNQERKV-GOSISDBHSA-N 2 1 298.455 3.601 20 0 CHADMP Fc1cccc(C[N@@H+](CC2CC[NH2+]CC2)C2CCCC2)c1 ZINC000262190477 330001763 /nfs/dbraw/zinc/00/17/63/330001763.db2.gz JNCZWGNHHXOZDB-UHFFFAOYSA-N 2 1 290.426 3.570 20 0 CHADMP CC[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000432801295 330038191 /nfs/dbraw/zinc/03/81/91/330038191.db2.gz VIWFSUMFMQAXPT-IXDOHACOSA-N 2 1 266.473 3.619 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC1CCCCC1 ZINC000191483787 330144687 /nfs/dbraw/zinc/14/46/87/330144687.db2.gz ZRGBHBMDQABSPE-UHFFFAOYSA-N 2 1 277.456 3.738 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC1CCCCC1 ZINC000191483787 330144688 /nfs/dbraw/zinc/14/46/88/330144688.db2.gz ZRGBHBMDQABSPE-UHFFFAOYSA-N 2 1 277.456 3.738 20 0 CHADMP C[C@@H](CC[NH2+][C@H]1C[C@@H](C)[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000379657875 330146764 /nfs/dbraw/zinc/14/67/64/330146764.db2.gz UUMZPPSSUGGGBR-CVYDXHPNSA-N 2 1 274.452 3.531 20 0 CHADMP C[C@H](CC[NH2+][C@H]1C[C@@H](C)[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000379657877 330146867 /nfs/dbraw/zinc/14/68/67/330146867.db2.gz UUMZPPSSUGGGBR-KONPQCLYSA-N 2 1 274.452 3.531 20 0 CHADMP C[C@@H](CC[NH2+][C@H]1C[C@@H](C)[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000379657876 330146950 /nfs/dbraw/zinc/14/69/50/330146950.db2.gz UUMZPPSSUGGGBR-HPFXQQBRSA-N 2 1 274.452 3.531 20 0 CHADMP CC[C@@H]([NH2+]Cc1csc2ccccc12)[C@@H]1CCC[NH2+]1 ZINC000422751461 330153305 /nfs/dbraw/zinc/15/33/05/330153305.db2.gz CSDCWJIPLOKTGA-CABCVRRESA-N 2 1 274.433 3.522 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(Cl)ccc1Cl ZINC000422792479 330155562 /nfs/dbraw/zinc/15/55/62/330155562.db2.gz ZHRDWEDSEJMVRV-MDFVCYEDSA-N 2 1 299.245 3.927 20 0 CHADMP CCCOc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422898669 330159406 /nfs/dbraw/zinc/15/94/06/330159406.db2.gz MNXUUARXLFRSDF-OALUTQOASA-N 2 1 296.414 3.710 20 0 CHADMP Fc1ccc([C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2ccccc2)cc1 ZINC000422932774 330161117 /nfs/dbraw/zinc/16/11/17/330161117.db2.gz GUQKNRDOCLCLJI-MOPGFXCFSA-N 2 1 298.405 3.647 20 0 CHADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(F)ccc32)c2ccccc21 ZINC000422933158 330161276 /nfs/dbraw/zinc/16/12/76/330161276.db2.gz HGFXFPLUXRTQIF-KURKYZTESA-N 2 1 282.362 3.547 20 0 CHADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422900674 330162138 /nfs/dbraw/zinc/16/21/38/330162138.db2.gz QWFYVYMZKAAEMA-JKXDFHQYSA-N 2 1 284.403 3.675 20 0 CHADMP Cc1ccc(CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000422983681 330162766 /nfs/dbraw/zinc/16/27/66/330162766.db2.gz UNHBRZHRJVOEIC-UXHICEINSA-N 2 1 294.442 3.620 20 0 CHADMP FC1(F)CCC[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000422995882 330163403 /nfs/dbraw/zinc/16/34/03/330163403.db2.gz ZRMSKZCPPMXVQW-OWCLPIDISA-N 2 1 294.389 3.647 20 0 CHADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422954176 330164023 /nfs/dbraw/zinc/16/40/23/330164023.db2.gz HCWSXNNGSSAGHM-NVAWSTJUSA-N 2 1 278.399 3.654 20 0 CHADMP COc1ccccc1[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])c1ccccc1 ZINC000422952338 330164027 /nfs/dbraw/zinc/16/40/27/330164027.db2.gz CGDSCMIKGMTIAF-SPYBWZPUSA-N 2 1 298.430 3.500 20 0 CHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cc2ccccc2s1 ZINC000423053236 330167368 /nfs/dbraw/zinc/16/73/68/330167368.db2.gz ABQBREFRPJTIKG-SGMGOOAPSA-N 2 1 274.433 3.692 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2s1)[C@H]1CCC[NH2+]1 ZINC000423053232 330167387 /nfs/dbraw/zinc/16/73/87/330167387.db2.gz ABQBREFRPJTIKG-MBNYWOFBSA-N 2 1 274.433 3.692 20 0 CHADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CCC34CCCC4)CC[NH2+]2)cc1 ZINC000423068860 330168183 /nfs/dbraw/zinc/16/81/83/330168183.db2.gz ABSBMFSFEOHKFT-SQNIBIBYSA-N 2 1 284.447 3.792 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(F)c2ccccc21 ZINC000423130905 330171819 /nfs/dbraw/zinc/17/18/19/330171819.db2.gz SMYRNHHEMHNDJN-VBHSOAQHSA-N 2 1 286.394 3.770 20 0 CHADMP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000423176024 330174728 /nfs/dbraw/zinc/17/47/28/330174728.db2.gz BNAPHPLZQWICGD-CYBMUJFWSA-N 2 1 286.419 3.706 20 0 CHADMP [NH3+]C1(C[NH2+][C@@H]2CCSc3ccc(F)cc32)CCCCC1 ZINC000423185314 330175843 /nfs/dbraw/zinc/17/58/43/330175843.db2.gz VALWMNOUKQUOSY-CQSZACIVSA-N 2 1 294.439 3.614 20 0 CHADMP CC[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)C1CCCCC1 ZINC000423194534 330176181 /nfs/dbraw/zinc/17/61/81/330176181.db2.gz YYPVNULTRXOGEV-GOSISDBHSA-N 2 1 289.467 3.510 20 0 CHADMP CSc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1F ZINC000423258983 330183397 /nfs/dbraw/zinc/18/33/97/330183397.db2.gz CTZDBWXFDYGOSO-YPMHNXCESA-N 2 1 284.444 3.572 20 0 CHADMP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000423263874 330184010 /nfs/dbraw/zinc/18/40/10/330184010.db2.gz BHLAFKAAFLTPQX-OLZOCXBDSA-N 2 1 287.234 3.554 20 0 CHADMP CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000423264512 330184131 /nfs/dbraw/zinc/18/41/31/330184131.db2.gz CCUYOZMTEWARBQ-CZUORRHYSA-N 2 1 280.481 3.821 20 0 CHADMP CCC[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000423272025 330184703 /nfs/dbraw/zinc/18/47/03/330184703.db2.gz HURGVLXZMHBAPJ-LSDHHAIUSA-N 2 1 266.816 3.508 20 0 CHADMP C[NH2+]C[C@H](C)C[NH2+][C@H](c1ccccc1)c1ccc(C)cc1 ZINC000423277305 330185205 /nfs/dbraw/zinc/18/52/05/330185205.db2.gz PSSZBZJKRBSPBG-QFBILLFUSA-N 2 1 282.431 3.530 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCCCC12CCCC2 ZINC000423304456 330189301 /nfs/dbraw/zinc/18/93/01/330189301.db2.gz YWJJVDXUPFOXLP-LSDHHAIUSA-N 2 1 252.446 3.597 20 0 CHADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000423315656 330189801 /nfs/dbraw/zinc/18/98/01/330189801.db2.gz AFBBUOXAMJMFSB-DAXOMENPSA-N 2 1 280.843 3.693 20 0 CHADMP [NH3+][C@@H](C[NH2+][C@@H]1CCCSc2ccc(Cl)cc21)C1CC1 ZINC000423320083 330190372 /nfs/dbraw/zinc/19/03/72/330190372.db2.gz MAVYNHQRQHHQMZ-UONOGXRCSA-N 2 1 296.867 3.594 20 0 CHADMP c1ccc(C([NH2+]CC[C@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000423358678 330193683 /nfs/dbraw/zinc/19/36/83/330193683.db2.gz JRNZCDIMPWWUBK-GOSISDBHSA-N 2 1 280.415 3.508 20 0 CHADMP Cc1ccccc1COc1ccc([C@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000423364849 330194302 /nfs/dbraw/zinc/19/43/02/330194302.db2.gz JZFKSBUWKJGCSZ-HOTGVXAUSA-N 2 1 298.430 3.572 20 0 CHADMP CC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cccc(Cl)c1F ZINC000423367729 330194718 /nfs/dbraw/zinc/19/47/18/330194718.db2.gz RJSHUUCRFOVWAI-BXUZGUMPSA-N 2 1 284.806 3.662 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cccc(Cl)c1Cl ZINC000423396355 330195646 /nfs/dbraw/zinc/19/56/46/330195646.db2.gz NSNAMEAENOPDRO-GBIKHYSHSA-N 2 1 287.234 3.642 20 0 CHADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000423407759 330196950 /nfs/dbraw/zinc/19/69/50/330196950.db2.gz WJHHWJIPAICANT-OWYVNGRQSA-N 2 1 299.245 3.568 20 0 CHADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000423410295 330197272 /nfs/dbraw/zinc/19/72/72/330197272.db2.gz ZVBFWNPAXVTISF-NIKGAXFTSA-N 2 1 298.405 3.503 20 0 CHADMP Cc1ccc2cc([C@H](C)[NH2+][C@@H]3CC[NH2+][C@H](C)C3)oc2c1 ZINC000423377721 330198883 /nfs/dbraw/zinc/19/88/83/330198883.db2.gz KGPLMQIMXRWYBM-VNHYZAJKSA-N 2 1 272.392 3.532 20 0 CHADMP Cc1ccc2cc([C@H](C)[NH2+][C@@H]3CC[NH2+][C@@H](C)C3)oc2c1 ZINC000423377720 330198960 /nfs/dbraw/zinc/19/89/60/330198960.db2.gz KGPLMQIMXRWYBM-KCQAQPDRSA-N 2 1 272.392 3.532 20 0 CHADMP CC(C)[C@H]([NH2+][C@@H](C)C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000423378894 330199045 /nfs/dbraw/zinc/19/90/45/330199045.db2.gz WWTXMRCVBYLZOM-ZANVPECISA-N 2 1 275.223 3.627 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C(c2ccccc2)c2ccccc2)CC[NH2+]1 ZINC000423395377 330200922 /nfs/dbraw/zinc/20/09/22/330200922.db2.gz SRHZQSVBSRVQCV-QAPCUYQASA-N 2 1 280.415 3.506 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2)s1)[C@H](C)[NH3+] ZINC000423447000 330202338 /nfs/dbraw/zinc/20/23/38/330202338.db2.gz OLWHTZMXFFACDP-XQQFMLRXSA-N 2 1 274.433 3.801 20 0 CHADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2F)s1 ZINC000423448135 330202601 /nfs/dbraw/zinc/20/26/01/330202601.db2.gz PTIWDGUHZYBTLM-WOPDTQHZSA-N 2 1 292.423 3.941 20 0 CHADMP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@H](C)c1ccccc1 ZINC000423501360 330208582 /nfs/dbraw/zinc/20/85/82/330208582.db2.gz DIVBDVNAHUEETE-ACZWYYKOSA-N 2 1 294.442 3.524 20 0 CHADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cccc(Cl)c1 ZINC000423528122 330210178 /nfs/dbraw/zinc/21/01/78/330210178.db2.gz NBBNDKOWNXPUTR-XHDPSFHLSA-N 2 1 266.816 3.508 20 0 CHADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cccc(Cl)c1 ZINC000423528121 330210354 /nfs/dbraw/zinc/21/03/54/330210354.db2.gz NBBNDKOWNXPUTR-NHYWBVRUSA-N 2 1 266.816 3.508 20 0 CHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccccc2F)C1 ZINC000536840174 330235668 /nfs/dbraw/zinc/23/56/68/330235668.db2.gz RMHFJZYMGFTWNO-HZPDHXFCSA-N 2 1 292.442 3.844 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccccc2F)C1 ZINC000536840174 330235670 /nfs/dbraw/zinc/23/56/70/330235670.db2.gz RMHFJZYMGFTWNO-HZPDHXFCSA-N 2 1 292.442 3.844 20 0 CHADMP C[C@H](NCC[C@H]1CCCC[N@H+]1C)c1cc2ccccc2o1 ZINC000527505096 330254972 /nfs/dbraw/zinc/25/49/72/330254972.db2.gz HDHCIEANHCUMIE-GOEBONIOSA-N 2 1 286.419 3.958 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1cc2ccccc2o1 ZINC000527505096 330254976 /nfs/dbraw/zinc/25/49/76/330254976.db2.gz HDHCIEANHCUMIE-GOEBONIOSA-N 2 1 286.419 3.958 20 0 CHADMP c1cc2cccc(CNC[C@@H]3CC[N@@H+]3C3CCCCC3)c2[nH]1 ZINC000527753424 330281223 /nfs/dbraw/zinc/28/12/23/330281223.db2.gz UWAIOWIRWCEORD-SFHVURJKSA-N 2 1 297.446 3.665 20 0 CHADMP c1cc2cccc(CNC[C@@H]3CC[N@H+]3C3CCCCC3)c2[nH]1 ZINC000527753424 330281224 /nfs/dbraw/zinc/28/12/24/330281224.db2.gz UWAIOWIRWCEORD-SFHVURJKSA-N 2 1 297.446 3.665 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(C)ccc1C ZINC000527817794 330282768 /nfs/dbraw/zinc/28/27/68/330282768.db2.gz CMXISNXUNAQDHN-LNLFQRSKSA-N 2 1 286.463 3.971 20 0 CHADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1cc(C)ccc1C ZINC000527845913 330287728 /nfs/dbraw/zinc/28/77/28/330287728.db2.gz KGVMBNNKIJWCRT-GOSISDBHSA-N 2 1 274.452 3.828 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](C)c2cccc(C(C)C)c2)CC1 ZINC000527845970 330287773 /nfs/dbraw/zinc/28/77/73/330287773.db2.gz KZMSRJLNGHSRSD-OAHLLOKOSA-N 2 1 274.452 3.945 20 0 CHADMP CCCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000044533362 330329758 /nfs/dbraw/zinc/32/97/58/330329758.db2.gz JYGMHWGMKIIRMJ-SJLPKXTDSA-N 2 1 274.452 3.849 20 0 CHADMP CCCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000044533360 330329851 /nfs/dbraw/zinc/32/98/51/330329851.db2.gz JYGMHWGMKIIRMJ-AEFFLSMTSA-N 2 1 274.452 3.849 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc2ccccc21 ZINC000044534670 330330093 /nfs/dbraw/zinc/33/00/93/330330093.db2.gz WCBNBWFIOAITNW-HOTGVXAUSA-N 2 1 282.431 3.832 20 0 CHADMP C[C@H]([NH2+][C@@H]1C[C@H]1C1CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424315520 330339249 /nfs/dbraw/zinc/33/92/49/330339249.db2.gz AAOCYNKKSBVRDM-MVJPYGJCSA-N 2 1 298.474 3.675 20 0 CHADMP CCCC1CCC([NH2+][C@@H](C)C[NH+](CC)CC)CC1 ZINC000045691739 330348706 /nfs/dbraw/zinc/34/87/06/330348706.db2.gz QGVVOVPJIGIOKK-FHERZECASA-N 2 1 254.462 3.665 20 0 CHADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])c2ccsc2S1 ZINC000424376848 330348864 /nfs/dbraw/zinc/34/88/64/330348864.db2.gz PZMYQHDCYSVGIA-SQNXGDPESA-N 2 1 282.478 3.533 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)c(F)c1 ZINC000212728383 330367115 /nfs/dbraw/zinc/36/71/15/330367115.db2.gz CDBZTYCFGHCUEU-NSHDSACASA-N 2 1 296.817 3.757 20 0 CHADMP C[C@H](C[NH2+][C@H](C)c1ccc(Cl)c(F)c1)C[NH+]1CCCC1 ZINC000212722151 330367157 /nfs/dbraw/zinc/36/71/57/330367157.db2.gz BGWVULSRBWCKCV-CHWSQXEVSA-N 2 1 298.833 3.862 20 0 CHADMP Cc1ccc2cc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)oc2c1 ZINC000425939621 330498857 /nfs/dbraw/zinc/49/88/57/330498857.db2.gz UOMWORRKBWBMEA-UONOGXRCSA-N 2 1 274.408 3.590 20 0 CHADMP Cc1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cs1 ZINC000449109283 330899628 /nfs/dbraw/zinc/89/96/28/330899628.db2.gz XQTNVEKVWRRWFE-UHFFFAOYSA-N 2 1 292.492 3.801 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000163377319 331029314 /nfs/dbraw/zinc/02/93/14/331029314.db2.gz WIFKKZDEDGMRFI-SGTUBPSTSA-N 2 1 292.854 3.516 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000163377319 331029315 /nfs/dbraw/zinc/02/93/15/331029315.db2.gz WIFKKZDEDGMRFI-SGTUBPSTSA-N 2 1 292.854 3.516 20 0 CHADMP CSc1ccccc1[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000194830419 331062894 /nfs/dbraw/zinc/06/28/94/331062894.db2.gz UYKSCSYWQZBROV-ZDUSSCGKSA-N 2 1 280.481 3.647 20 0 CHADMP CC1(C)CC([NH2+]Cc2ccc(F)c(Cl)c2)CC(C)(C)[NH2+]1 ZINC000163767794 331084836 /nfs/dbraw/zinc/08/48/36/331084836.db2.gz XWQUHRUTFHMCQR-UHFFFAOYSA-N 2 1 298.833 3.878 20 0 CHADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccncc1 ZINC000453053890 331085019 /nfs/dbraw/zinc/08/50/19/331085019.db2.gz AYQLOBNDDQWUEE-WMZOPIPTSA-N 2 1 289.467 3.634 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)c3ccsc32)CC1 ZINC000453097639 331089008 /nfs/dbraw/zinc/08/90/08/331089008.db2.gz UTKQFNIGMTVRTB-IUODEOHRSA-N 2 1 278.465 3.760 20 0 CHADMP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(OC)c1 ZINC000453388627 331126992 /nfs/dbraw/zinc/12/69/92/331126992.db2.gz BTRZMQJSMRPJJK-GOSISDBHSA-N 2 1 290.451 3.610 20 0 CHADMP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453393721 331127734 /nfs/dbraw/zinc/12/77/34/331127734.db2.gz FZZWUVNBMZUBOX-ACJLOTCBSA-N 2 1 290.426 3.523 20 0 CHADMP CSc1ccc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000453405865 331129384 /nfs/dbraw/zinc/12/93/84/331129384.db2.gz QPTVYNKLZNAKOH-AWEZNQCLSA-N 2 1 292.492 3.934 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccccc1Cl ZINC000453409334 331129752 /nfs/dbraw/zinc/12/97/52/331129752.db2.gz GEVOKXHCIMYTJE-CYBMUJFWSA-N 2 1 280.843 3.865 20 0 CHADMP C[C@H](CCc1ccccc1F)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453416366 331130314 /nfs/dbraw/zinc/13/03/14/331130314.db2.gz XKCZBLJLVCBUHH-OAHLLOKOSA-N 2 1 292.442 3.611 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000459315734 331275959 /nfs/dbraw/zinc/27/59/59/331275959.db2.gz SBGPZBSZSYXSJQ-HKUYNNGSSA-N 2 1 286.463 3.595 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2C[C@H]2c2ccccc2)C[C@@H]1C ZINC000459384843 331279464 /nfs/dbraw/zinc/27/94/64/331279464.db2.gz YEANLFXPJUBEKS-WNHJNPCNSA-N 2 1 286.463 3.595 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2C[C@H]2c2ccccc2)C[C@@H]1C ZINC000459384843 331279465 /nfs/dbraw/zinc/27/94/65/331279465.db2.gz YEANLFXPJUBEKS-WNHJNPCNSA-N 2 1 286.463 3.595 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2C[C@H]2c2ccccc2)C[C@@H]1C ZINC000459384843 331279466 /nfs/dbraw/zinc/27/94/66/331279466.db2.gz YEANLFXPJUBEKS-WNHJNPCNSA-N 2 1 286.463 3.595 20 0 CHADMP c1ccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CCC2)cc1 ZINC000459401319 331280102 /nfs/dbraw/zinc/28/01/02/331280102.db2.gz LXCUPXDRIXMAFO-LJQANCHMSA-N 2 1 284.447 3.744 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000459420542 331280709 /nfs/dbraw/zinc/28/07/09/331280709.db2.gz CSUPEOZCTOKSOE-FHERZECASA-N 2 1 266.473 3.521 20 0 CHADMP Cc1oc2ccccc2c1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459481598 331284098 /nfs/dbraw/zinc/28/40/98/331284098.db2.gz PFUVNPYOOLXRAO-UHFFFAOYSA-N 2 1 298.430 3.500 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@]1(C)CCCC[C@H]1C ZINC000459605686 331290290 /nfs/dbraw/zinc/29/02/90/331290290.db2.gz DKFIITYDKDMNRM-ZBFHGGJFSA-N 2 1 263.429 3.530 20 0 CHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc3ccccc3s2)C1 ZINC000459723750 331295835 /nfs/dbraw/zinc/29/58/35/331295835.db2.gz CTRGUIBBHXYZIQ-AWEZNQCLSA-N 2 1 288.460 3.723 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCC[C@H]1C ZINC000459730574 331296348 /nfs/dbraw/zinc/29/63/48/331296348.db2.gz DVRXDEPTRUSJJV-QZWWFDLISA-N 2 1 266.473 3.523 20 0 CHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000459793169 331301160 /nfs/dbraw/zinc/30/11/60/331301160.db2.gz SYTYUPPNPVIUQX-BHIYHBOVSA-N 2 1 286.463 3.644 20 0 CHADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000459800719 331301533 /nfs/dbraw/zinc/30/15/33/331301533.db2.gz ZZJFMNXNQTZACU-BRWVUGGUSA-N 2 1 266.473 3.523 20 0 CHADMP CC[C@H](Cc1ccc(C)cc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459797933 331301577 /nfs/dbraw/zinc/30/15/77/331301577.db2.gz XGHOEMKGIJKEBM-RTBURBONSA-N 2 1 288.479 3.638 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000463538153 331349257 /nfs/dbraw/zinc/34/92/57/331349257.db2.gz AAWJMBDVOPZSIN-QZTJIDSGSA-N 2 1 288.479 3.889 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+]C1(Cc2ccccc2)CCCCC1 ZINC000467190317 331411855 /nfs/dbraw/zinc/41/18/55/331411855.db2.gz IFQMUHUAXMVZSV-UHFFFAOYSA-N 2 1 297.446 3.727 20 0 CHADMP C[C@@H]1C[C@H]1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000488414451 332005582 /nfs/dbraw/zinc/00/55/82/332005582.db2.gz FDNSSRUNMYGHDN-MDZRGWNJSA-N 2 1 286.463 3.664 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000488443480 332009256 /nfs/dbraw/zinc/00/92/56/332009256.db2.gz OFERVVHVKSNXEP-LULLPPNCSA-N 2 1 286.463 3.643 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000488443480 332009257 /nfs/dbraw/zinc/00/92/57/332009257.db2.gz OFERVVHVKSNXEP-LULLPPNCSA-N 2 1 286.463 3.643 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](c3ccccc3)C2)CC[N@@H+]1C ZINC000488447308 332009934 /nfs/dbraw/zinc/00/99/34/332009934.db2.gz IONABOJUUGMZCX-XGXHKWSGSA-N 2 1 286.463 3.785 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](c3ccccc3)C2)CC[N@H+]1C ZINC000488447308 332009935 /nfs/dbraw/zinc/00/99/35/332009935.db2.gz IONABOJUUGMZCX-XGXHKWSGSA-N 2 1 286.463 3.785 20 0 CHADMP C[C@H]([NH2+]C1CCC2(CC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000488508869 332014671 /nfs/dbraw/zinc/01/46/71/332014671.db2.gz UNYIZGSNWATALE-JKSUJKDBSA-N 2 1 290.495 3.952 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)CCCc2cccc(F)c2)CC1 ZINC000489163300 332042653 /nfs/dbraw/zinc/04/26/53/332042653.db2.gz PLJKGEHMLCOMQL-UHFFFAOYSA-N 2 1 292.442 3.563 20 0 CHADMP C[N@@H+](CCCc1cccc(F)c1)CC[C@H]1CCCC[NH+]1C ZINC000490105328 332081671 /nfs/dbraw/zinc/08/16/71/332081671.db2.gz XWUXZWDKUBCPBE-GOSISDBHSA-N 2 1 292.442 3.565 20 0 CHADMP C[NH+](CCCc1cccc(F)c1)CC[C@H]1CCCC[N@@H+]1C ZINC000490105328 332081673 /nfs/dbraw/zinc/08/16/73/332081673.db2.gz XWUXZWDKUBCPBE-GOSISDBHSA-N 2 1 292.442 3.565 20 0 CHADMP C[NH+](CCCc1cccc(F)c1)CC[C@H]1CCCC[N@H+]1C ZINC000490105328 332081674 /nfs/dbraw/zinc/08/16/74/332081674.db2.gz XWUXZWDKUBCPBE-GOSISDBHSA-N 2 1 292.442 3.565 20 0 CHADMP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000490308789 332086515 /nfs/dbraw/zinc/08/65/15/332086515.db2.gz QUJDIJVHRMFNEC-RDTXWAMCSA-N 2 1 295.430 3.839 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[C@H]2C)cc1 ZINC000495041758 332500748 /nfs/dbraw/zinc/50/07/48/332500748.db2.gz VHFMZFQPAOWTCG-ZUMXRPEOSA-N 2 1 283.419 3.876 20 0 CHADMP C[C@@H]1CC[C@H]1[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000513047683 333001326 /nfs/dbraw/zinc/00/13/26/333001326.db2.gz UPUOORTUXDBASL-NVXWUHKLSA-N 2 1 274.452 3.533 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C/C(C)=C\c1ccccc1 ZINC000513089341 333003746 /nfs/dbraw/zinc/00/37/46/333003746.db2.gz MZWSKPKCIGRAOS-ZUTYSQTGSA-N 2 1 272.436 3.554 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C/C(C)=C\c1ccccc1 ZINC000513089341 333003747 /nfs/dbraw/zinc/00/37/47/333003747.db2.gz MZWSKPKCIGRAOS-ZUTYSQTGSA-N 2 1 272.436 3.554 20 0 CHADMP CCC[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309802700 333049867 /nfs/dbraw/zinc/04/98/67/333049867.db2.gz SLIQDLAXEXXPEK-BQFCYCMXSA-N 2 1 274.452 3.675 20 0 CHADMP C[C@H]([NH2+]C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309813909 333050044 /nfs/dbraw/zinc/05/00/44/333050044.db2.gz XHNTVCMSPNKWLV-FUHWJXTLSA-N 2 1 286.463 3.819 20 0 CHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+]([C@H]4C=CCCC4)C[C@@H]3C2)cc1 ZINC000309974937 333051877 /nfs/dbraw/zinc/05/18/77/333051877.db2.gz QHOAHJGMKNZEQS-AABGKKOBSA-N 2 1 296.458 3.549 20 0 CHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+]([C@H]4C=CCCC4)C[C@@H]3C2)cc1 ZINC000309974937 333051878 /nfs/dbraw/zinc/05/18/78/333051878.db2.gz QHOAHJGMKNZEQS-AABGKKOBSA-N 2 1 296.458 3.549 20 0 CHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+]([C@H]4C=CCCC4)C[C@@H]3C2)cc1 ZINC000309974937 333051879 /nfs/dbraw/zinc/05/18/79/333051879.db2.gz QHOAHJGMKNZEQS-AABGKKOBSA-N 2 1 296.458 3.549 20 0 CHADMP CC[C@@H](F)CN(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000521253647 333116558 /nfs/dbraw/zinc/11/65/58/333116558.db2.gz CQYVDTVNMDSKSI-HUUCEWRRSA-N 2 1 298.471 3.558 20 0 CHADMP COc1ccsc1[C@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000186086883 333154859 /nfs/dbraw/zinc/15/48/59/333154859.db2.gz RCKBLBGMBFJQRE-AWEZNQCLSA-N 2 1 296.480 3.529 20 0 CHADMP CCCc1cccc(C[NH+]2CCC([NH2+]C(C)C)CC2)c1 ZINC000186926843 333166482 /nfs/dbraw/zinc/16/64/82/333166482.db2.gz PGZQCSAVZREKAY-UHFFFAOYSA-N 2 1 274.452 3.602 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000226435452 333260739 /nfs/dbraw/zinc/26/07/39/333260739.db2.gz ATIAKABXKHCMDG-ZIAGYGMSSA-N 2 1 292.854 3.865 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000226435452 333260741 /nfs/dbraw/zinc/26/07/41/333260741.db2.gz ATIAKABXKHCMDG-ZIAGYGMSSA-N 2 1 292.854 3.865 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000226452844 333261110 /nfs/dbraw/zinc/26/11/10/333261110.db2.gz HWUJPLRGKFWSGH-UHFFFAOYSA-N 2 1 282.497 3.866 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000226452844 333261111 /nfs/dbraw/zinc/26/11/11/333261111.db2.gz HWUJPLRGKFWSGH-UHFFFAOYSA-N 2 1 282.497 3.866 20 0 CHADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000230388949 333316801 /nfs/dbraw/zinc/31/68/01/333316801.db2.gz XITZBQIXDFTXNE-KTAKPFMOSA-N 2 1 294.870 3.906 20 0 CHADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000230388949 333316802 /nfs/dbraw/zinc/31/68/02/333316802.db2.gz XITZBQIXDFTXNE-KTAKPFMOSA-N 2 1 294.870 3.906 20 0 CHADMP CC(C)C[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000230769034 333321554 /nfs/dbraw/zinc/32/15/54/333321554.db2.gz IBUHEJKXBBFAES-WBVHZDCISA-N 2 1 278.484 3.808 20 0 CHADMP Cc1cc(C)cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000524252669 333357986 /nfs/dbraw/zinc/35/79/86/333357986.db2.gz UYACKLRQRJXEGN-IBGZPJMESA-N 2 1 286.463 3.754 20 0 CHADMP C[N@@H+](Cc1ccc(C(C)(C)C)cc1)[C@H]1CCC[NH2+]CC1 ZINC000234316158 333359608 /nfs/dbraw/zinc/35/96/08/333359608.db2.gz RGRTYIZBVAGVIN-KRWDZBQOSA-N 2 1 274.452 3.558 20 0 CHADMP C/C(Cl)=C\C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000528436885 333437673 /nfs/dbraw/zinc/43/76/73/333437673.db2.gz GMXGNHMGLBNGPF-YQCJOKCJSA-N 2 1 289.810 3.974 20 0 CHADMP C[C@@H]([NH2+]C[C@H](C1CCCCC1)[NH+](C)C)C1CC(F)(F)C1 ZINC000529533716 333494192 /nfs/dbraw/zinc/49/41/92/333494192.db2.gz TVRNPHHALPOUPL-IUODEOHRSA-N 2 1 288.426 3.520 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3ccccc3c2)[C@H](C)C1 ZINC000174629603 335161075 /nfs/dbraw/zinc/16/10/75/335161075.db2.gz RNWLIAQFBUCSQP-BEFAXECRSA-N 2 1 282.431 3.660 20 0 CHADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1cccc2ccccc21 ZINC000576169503 335164093 /nfs/dbraw/zinc/16/40/93/335164093.db2.gz JHDWHMPCNZEYQK-OAHLLOKOSA-N 2 1 293.414 3.857 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2C)c1 ZINC000236667146 334063937 /nfs/dbraw/zinc/06/39/37/334063937.db2.gz FGVGIFQROJMGSJ-YJBOKZPZSA-N 2 1 274.452 3.805 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(F)F)cc1 ZINC000564319668 334085670 /nfs/dbraw/zinc/08/56/70/334085670.db2.gz MFLACQRGIILDHB-UHFFFAOYSA-N 2 1 284.394 3.788 20 0 CHADMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000564323162 334095504 /nfs/dbraw/zinc/09/55/04/334095504.db2.gz DLLLZIJYADUHBB-DNVCBOLYSA-N 2 1 282.431 3.612 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc2ccccc2c1 ZINC000564323162 334095505 /nfs/dbraw/zinc/09/55/05/334095505.db2.gz DLLLZIJYADUHBB-DNVCBOLYSA-N 2 1 282.431 3.612 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc2ccccc2c1 ZINC000564323162 334095506 /nfs/dbraw/zinc/09/55/06/334095506.db2.gz DLLLZIJYADUHBB-DNVCBOLYSA-N 2 1 282.431 3.612 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc2ccccc2c1 ZINC000564323162 334095507 /nfs/dbraw/zinc/09/55/07/334095507.db2.gz DLLLZIJYADUHBB-DNVCBOLYSA-N 2 1 282.431 3.612 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000564323162 334095508 /nfs/dbraw/zinc/09/55/08/334095508.db2.gz DLLLZIJYADUHBB-DNVCBOLYSA-N 2 1 282.431 3.612 20 0 CHADMP C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CCCC1 ZINC000134915922 334108449 /nfs/dbraw/zinc/10/84/49/334108449.db2.gz CCDMWHARMYHVBR-SJLPKXTDSA-N 2 1 276.468 3.515 20 0 CHADMP C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CCCC1 ZINC000134915922 334108451 /nfs/dbraw/zinc/10/84/51/334108451.db2.gz CCDMWHARMYHVBR-SJLPKXTDSA-N 2 1 276.468 3.515 20 0 CHADMP C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CCCC1 ZINC000134915922 334108452 /nfs/dbraw/zinc/10/84/52/334108452.db2.gz CCDMWHARMYHVBR-SJLPKXTDSA-N 2 1 276.468 3.515 20 0 CHADMP CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000078005375 334120271 /nfs/dbraw/zinc/12/02/71/334120271.db2.gz SVEVILMLJCIZTN-VQIMIIECSA-N 2 1 286.463 3.819 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCC(C)(C)CC1 ZINC000079619863 334158270 /nfs/dbraw/zinc/15/82/70/334158270.db2.gz YTEHEIDRIKSARV-OAHLLOKOSA-N 2 1 266.473 3.809 20 0 CHADMP CCC[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000245608242 334206911 /nfs/dbraw/zinc/20/69/11/334206911.db2.gz AEAIYUVPPROGOL-QXAKKESOSA-N 2 1 288.479 3.985 20 0 CHADMP CCC[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000245608242 334206912 /nfs/dbraw/zinc/20/69/12/334206912.db2.gz AEAIYUVPPROGOL-QXAKKESOSA-N 2 1 288.479 3.985 20 0 CHADMP CCC[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000245608242 334206913 /nfs/dbraw/zinc/20/69/13/334206913.db2.gz AEAIYUVPPROGOL-QXAKKESOSA-N 2 1 288.479 3.985 20 0 CHADMP CCC[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000245608242 334206914 /nfs/dbraw/zinc/20/69/14/334206914.db2.gz AEAIYUVPPROGOL-QXAKKESOSA-N 2 1 288.479 3.985 20 0 CHADMP CC[N@H+]1CC[C@@H](N(C)Cc2cccc(F)c2Cl)C[C@H]1C ZINC000549865170 334207434 /nfs/dbraw/zinc/20/74/34/334207434.db2.gz CQTQEMZWUYKSJQ-TZMCWYRMSA-N 2 1 298.833 3.784 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000550238884 334216856 /nfs/dbraw/zinc/21/68/56/334216856.db2.gz OEBKMCDJISWXFN-RHSMWYFYSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000550238884 334216861 /nfs/dbraw/zinc/21/68/61/334216861.db2.gz OEBKMCDJISWXFN-RHSMWYFYSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000550238884 334216863 /nfs/dbraw/zinc/21/68/63/334216863.db2.gz OEBKMCDJISWXFN-RHSMWYFYSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000550238884 334216865 /nfs/dbraw/zinc/21/68/65/334216865.db2.gz OEBKMCDJISWXFN-RHSMWYFYSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000550238884 334216866 /nfs/dbraw/zinc/21/68/66/334216866.db2.gz OEBKMCDJISWXFN-RHSMWYFYSA-N 2 1 292.854 3.819 20 0 CHADMP CCC(CC)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245765361 334218184 /nfs/dbraw/zinc/21/81/84/334218184.db2.gz WGINIQOZOCGMNG-LDLYASANSA-N 2 1 286.463 3.960 20 0 CHADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2F)CC[N@@H+]1Cc1ccccc1 ZINC000550320911 334220066 /nfs/dbraw/zinc/22/00/66/334220066.db2.gz KLGDKVHTIXYVPM-XOYOTBSWSA-N 2 1 290.426 3.520 20 0 CHADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2F)CC[N@H+]1Cc1ccccc1 ZINC000550320911 334220067 /nfs/dbraw/zinc/22/00/67/334220067.db2.gz KLGDKVHTIXYVPM-XOYOTBSWSA-N 2 1 290.426 3.520 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]CC2CCCC2)C[C@@H]1c1ccccc1 ZINC000550621563 334225476 /nfs/dbraw/zinc/22/54/76/334225476.db2.gz BIQWBAPECXCWNR-QZTJIDSGSA-N 2 1 272.436 3.602 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CC2CCCC2)C[C@@H]1c1ccccc1 ZINC000550621563 334225477 /nfs/dbraw/zinc/22/54/77/334225477.db2.gz BIQWBAPECXCWNR-QZTJIDSGSA-N 2 1 272.436 3.602 20 0 CHADMP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551084328 334238073 /nfs/dbraw/zinc/23/80/73/334238073.db2.gz WYFYDWQDNRHSNL-VSZNYVQBSA-N 2 1 272.436 3.600 20 0 CHADMP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551084328 334238074 /nfs/dbraw/zinc/23/80/74/334238074.db2.gz WYFYDWQDNRHSNL-VSZNYVQBSA-N 2 1 272.436 3.600 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000247063706 334275006 /nfs/dbraw/zinc/27/50/06/334275006.db2.gz NYDYZZBQWFFYFT-HOTGVXAUSA-N 2 1 296.499 3.577 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC000246222466 334242204 /nfs/dbraw/zinc/24/22/04/334242204.db2.gz PGBSUJGQNUZRHL-SJORKVTESA-N 2 1 274.452 3.720 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2cccc(C)c2)C1 ZINC000246222466 334242206 /nfs/dbraw/zinc/24/22/06/334242206.db2.gz PGBSUJGQNUZRHL-SJORKVTESA-N 2 1 274.452 3.720 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2cccc(C)c2)C1 ZINC000246222466 334242207 /nfs/dbraw/zinc/24/22/07/334242207.db2.gz PGBSUJGQNUZRHL-SJORKVTESA-N 2 1 274.452 3.720 20 0 CHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc3ccccc3n2)C1 ZINC000247163582 334276619 /nfs/dbraw/zinc/27/66/19/334276619.db2.gz UGXWCCQDOBWNML-CVEARBPZSA-N 2 1 297.446 3.617 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc3ccccc3n2)C1 ZINC000247163582 334276620 /nfs/dbraw/zinc/27/66/20/334276620.db2.gz UGXWCCQDOBWNML-CVEARBPZSA-N 2 1 297.446 3.617 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000247101674 334275747 /nfs/dbraw/zinc/27/57/47/334275747.db2.gz SITDZNGQQUKCSL-OWCLPIDISA-N 2 1 285.435 3.609 20 0 CHADMP Cc1nc(C)c([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)s1 ZINC000246850890 334270699 /nfs/dbraw/zinc/27/06/99/334270699.db2.gz BSAGABDRCBUIHJ-OLZOCXBDSA-N 2 1 295.496 3.675 20 0 CHADMP Cc1nc(C)c([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)s1 ZINC000246850890 334270701 /nfs/dbraw/zinc/27/07/01/334270701.db2.gz BSAGABDRCBUIHJ-OLZOCXBDSA-N 2 1 295.496 3.675 20 0 CHADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCC[NH+]1CCCCC1 ZINC000247314177 334278917 /nfs/dbraw/zinc/27/89/17/334278917.db2.gz RKTDNHKLLDEOKO-IXDOHACOSA-N 2 1 264.457 3.515 20 0 CHADMP C[C@H]1CC[C@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000552091145 334288347 /nfs/dbraw/zinc/28/83/47/334288347.db2.gz CFVNAMUBMOBDJZ-GWFLUQINSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247949360 334292072 /nfs/dbraw/zinc/29/20/72/334292072.db2.gz DXAVUFMQUADJBK-ZUMXRPEOSA-N 2 1 290.426 3.521 20 0 CHADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247949360 334292073 /nfs/dbraw/zinc/29/20/73/334292073.db2.gz DXAVUFMQUADJBK-ZUMXRPEOSA-N 2 1 290.426 3.521 20 0 CHADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247975884 334292635 /nfs/dbraw/zinc/29/26/35/334292635.db2.gz HUYHVOSHDQWKSS-KSZLIROESA-N 2 1 272.436 3.554 20 0 CHADMP CC[C@H](c1ccccc1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247975884 334292636 /nfs/dbraw/zinc/29/26/36/334292636.db2.gz HUYHVOSHDQWKSS-KSZLIROESA-N 2 1 272.436 3.554 20 0 CHADMP CC[C@H](c1ccccc1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247975884 334292638 /nfs/dbraw/zinc/29/26/38/334292638.db2.gz HUYHVOSHDQWKSS-KSZLIROESA-N 2 1 272.436 3.554 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)c2ccccc2C)C1 ZINC000248147786 334295869 /nfs/dbraw/zinc/29/58/69/334295869.db2.gz QJWYENWLEKEFIT-SJORKVTESA-N 2 1 274.452 3.720 20 0 CHADMP C[C@@H]([NH2+][C@H]1CCCC[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248399812 334300272 /nfs/dbraw/zinc/30/02/72/334300272.db2.gz KHTIQUILXCCIQQ-KONPQCLYSA-N 2 1 278.484 3.808 20 0 CHADMP CC(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000552247722 334308177 /nfs/dbraw/zinc/30/81/77/334308177.db2.gz YGDQLFSZYRNRKZ-OTWHNJEPSA-N 2 1 286.463 3.772 20 0 CHADMP CCCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000552290849 334313882 /nfs/dbraw/zinc/31/38/82/334313882.db2.gz VFEFOFBALJRALA-APWZRJJASA-N 2 1 288.479 3.801 20 0 CHADMP CCCc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000552290849 334313883 /nfs/dbraw/zinc/31/38/83/334313883.db2.gz VFEFOFBALJRALA-APWZRJJASA-N 2 1 288.479 3.801 20 0 CHADMP CCCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000552290849 334313884 /nfs/dbraw/zinc/31/38/84/334313884.db2.gz VFEFOFBALJRALA-APWZRJJASA-N 2 1 288.479 3.801 20 0 CHADMP CCCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000552290852 334313924 /nfs/dbraw/zinc/31/39/24/334313924.db2.gz VFEFOFBALJRALA-VQIMIIECSA-N 2 1 288.479 3.801 20 0 CHADMP CCCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000552290852 334313927 /nfs/dbraw/zinc/31/39/27/334313927.db2.gz VFEFOFBALJRALA-VQIMIIECSA-N 2 1 288.479 3.801 20 0 CHADMP CCCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000552290852 334313929 /nfs/dbraw/zinc/31/39/29/334313929.db2.gz VFEFOFBALJRALA-VQIMIIECSA-N 2 1 288.479 3.801 20 0 CHADMP C[C@@H]1CC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000552324910 334317232 /nfs/dbraw/zinc/31/72/32/334317232.db2.gz MOKHSSATWKATFR-IQZDNPOKSA-N 2 1 284.447 3.570 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC23CCCC3)C1 ZINC000249127805 334328511 /nfs/dbraw/zinc/32/85/11/334328511.db2.gz ULUBGNVEPUJOCT-SJORKVTESA-N 2 1 278.484 3.667 20 0 CHADMP CCc1ccc([C@H](CC)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000250529198 334345818 /nfs/dbraw/zinc/34/58/18/334345818.db2.gz TWIUJSLQGCJUBT-FHWLQOOXSA-N 2 1 286.463 3.917 20 0 CHADMP CCCC[C@H](CC)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594627 334347237 /nfs/dbraw/zinc/34/72/37/334347237.db2.gz QCVJQUJIYYTHCO-KRWDZBQOSA-N 2 1 296.499 3.580 20 0 CHADMP Cc1ccsc1[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000250871216 334352510 /nfs/dbraw/zinc/35/25/10/334352510.db2.gz KPOUILXTPVQOBA-HUUCEWRRSA-N 2 1 280.481 3.972 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000250900400 334353014 /nfs/dbraw/zinc/35/30/14/334353014.db2.gz NDKLBGVATGHATI-MAZHCROVSA-N 2 1 278.827 3.617 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C)cc1 ZINC000251046103 334355160 /nfs/dbraw/zinc/35/51/60/334355160.db2.gz DUJCYCFUMVHHDO-SQNIBIBYSA-N 2 1 272.436 3.663 20 0 CHADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C)s1 ZINC000251074743 334355683 /nfs/dbraw/zinc/35/56/83/334355683.db2.gz LBKPZSPCSLLRRF-CFVMTHIKSA-N 2 1 278.465 3.642 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)Cc1ccccc1 ZINC000090016000 334355748 /nfs/dbraw/zinc/35/57/48/334355748.db2.gz NAHROUQCPPEVPL-NUJGCVRESA-N 2 1 288.479 3.574 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)C1CCCC1 ZINC000090798240 334367862 /nfs/dbraw/zinc/36/78/62/334367862.db2.gz CNJTZHOHUYLKOT-IJEWVQPXSA-N 2 1 266.473 3.521 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000252216109 334377196 /nfs/dbraw/zinc/37/71/96/334377196.db2.gz ZFUAUBHIAGIYKD-OQIJWPOYSA-N 2 1 286.463 3.785 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CC[N@H+]1C ZINC000252216109 334377197 /nfs/dbraw/zinc/37/71/97/334377197.db2.gz ZFUAUBHIAGIYKD-OQIJWPOYSA-N 2 1 286.463 3.785 20 0 CHADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252767900 334391370 /nfs/dbraw/zinc/39/13/70/334391370.db2.gz JSSYKNNQGDSSRL-SQWLQELKSA-N 2 1 274.452 3.714 20 0 CHADMP CC[NH+](CC)CCC[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000572977959 334897012 /nfs/dbraw/zinc/89/70/12/334897012.db2.gz UGHCIEOGVREMOG-UHFFFAOYSA-N 2 1 292.442 3.679 20 0 CHADMP CC1=C[C@H](C)C[C@H](C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000576438599 335203578 /nfs/dbraw/zinc/20/35/78/335203578.db2.gz RZEAGSXFMMUSNS-VDZJLULYSA-N 2 1 290.495 3.643 20 0 CHADMP CCC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000576681637 335233899 /nfs/dbraw/zinc/23/38/99/335233899.db2.gz BORDJRCAKOVRCS-PBHICJAKSA-N 2 1 264.457 3.562 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000577077948 335296457 /nfs/dbraw/zinc/29/64/57/335296457.db2.gz PPGKVYLFJGUHGH-MRXNPFEDSA-N 2 1 277.456 3.920 20 0 CHADMP C[C@H](CC[NH2+][C@@H]1CCCc2occc21)[NH+]1CCCCC1 ZINC000193281500 335297776 /nfs/dbraw/zinc/29/77/76/335297776.db2.gz SENRIIZIXHDQRH-GDBMZVCRSA-N 2 1 276.424 3.511 20 0 CHADMP Cc1cccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)[nH+]1 ZINC000346239288 335359374 /nfs/dbraw/zinc/35/93/74/335359374.db2.gz PNYJFDOXWVPMRL-YJBOKZPZSA-N 2 1 295.430 3.713 20 0 CHADMP Cc1cccc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)[nH+]1 ZINC000346239288 335359377 /nfs/dbraw/zinc/35/93/77/335359377.db2.gz PNYJFDOXWVPMRL-YJBOKZPZSA-N 2 1 295.430 3.713 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]CC3CCCCC3)C2)cc1 ZINC000380934501 336040017 /nfs/dbraw/zinc/04/00/17/336040017.db2.gz IPECWQNJYLKFST-IBGZPJMESA-N 2 1 286.463 3.678 20 0 CHADMP C[C@H](CC1CC1)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381935999 336078494 /nfs/dbraw/zinc/07/84/94/336078494.db2.gz UQGSOEMEGFOZLB-MDZRGWNJSA-N 2 1 286.463 3.675 20 0 CHADMP CC(C)CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccoc1 ZINC000581444829 336079131 /nfs/dbraw/zinc/07/91/31/336079131.db2.gz JRBFAFSUDAEKAX-RDJZCZTQSA-N 2 1 278.440 3.688 20 0 CHADMP CC(C)CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccoc1 ZINC000581444829 336079132 /nfs/dbraw/zinc/07/91/32/336079132.db2.gz JRBFAFSUDAEKAX-RDJZCZTQSA-N 2 1 278.440 3.688 20 0 CHADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000581556045 336102244 /nfs/dbraw/zinc/10/22/44/336102244.db2.gz LPSHBFBRJCKJOS-RTBURBONSA-N 2 1 297.446 3.669 20 0 CHADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CC34CCCC4)CC2)cc1 ZINC000386981926 336183283 /nfs/dbraw/zinc/18/32/83/336183283.db2.gz IMWCGEXAAYYUKL-LJQANCHMSA-N 2 1 298.474 3.616 20 0 CHADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CC34CCCC4)CC2)cc1 ZINC000386981923 336183353 /nfs/dbraw/zinc/18/33/53/336183353.db2.gz IMWCGEXAAYYUKL-IBGZPJMESA-N 2 1 298.474 3.616 20 0 CHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(Cl)cn2)C1 ZINC000274880329 519676837 /nfs/dbraw/zinc/67/68/37/519676837.db2.gz HJJRIDYJPJGONG-KGLIPLIRSA-N 2 1 295.858 3.506 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(Cl)cn2)C1 ZINC000274880329 519676839 /nfs/dbraw/zinc/67/68/39/519676839.db2.gz HJJRIDYJPJGONG-KGLIPLIRSA-N 2 1 295.858 3.506 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]3CCC[C@H]31)CCC2 ZINC000352596893 534453955 /nfs/dbraw/zinc/45/39/55/534453955.db2.gz DRKAFNKWIRXELS-MTFMMBMASA-N 2 1 298.474 3.835 20 0 CHADMP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000156193071 520427739 /nfs/dbraw/zinc/42/77/39/520427739.db2.gz IEQWRASUGHPXSM-HLLBOEOZSA-N 2 1 290.451 3.609 20 0 CHADMP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000156193071 520427746 /nfs/dbraw/zinc/42/77/46/520427746.db2.gz IEQWRASUGHPXSM-HLLBOEOZSA-N 2 1 290.451 3.609 20 0 CHADMP CC[N@H+](Cc1ccc2ccccc2c1)C[C@@H]1CCC[NH2+]C1 ZINC000226436217 521334886 /nfs/dbraw/zinc/33/48/86/521334886.db2.gz UAHZWZLRFZCLHG-QGZVFWFLSA-N 2 1 282.431 3.661 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(OC(C)C)c2)CC1 ZINC000036997317 521579958 /nfs/dbraw/zinc/57/99/58/521579958.db2.gz DOCAGXKIPFUIPV-HNNXBMFYSA-N 2 1 290.451 3.609 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2csc3ccccc23)CC1 ZINC000277092170 522097415 /nfs/dbraw/zinc/09/74/15/522097415.db2.gz FYTSTYLHINBPQM-HNNXBMFYSA-N 2 1 288.460 3.817 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(C)cc1 ZINC000037649151 522615827 /nfs/dbraw/zinc/61/58/27/522615827.db2.gz FCBQOFFGWZJELH-YJBOKZPZSA-N 2 1 272.436 3.520 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]CCC2(C)CC2)C[C@H]1c1ccccc1 ZINC000340378080 523968820 /nfs/dbraw/zinc/96/88/20/523968820.db2.gz NSLMCAWPTPVOBJ-SJORKVTESA-N 2 1 272.436 3.602 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CCC2(C)CC2)C[C@H]1c1ccccc1 ZINC000340378080 523968823 /nfs/dbraw/zinc/96/88/23/523968823.db2.gz NSLMCAWPTPVOBJ-SJORKVTESA-N 2 1 272.436 3.602 20 0 CHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccco2)cc1 ZINC000069681802 524116294 /nfs/dbraw/zinc/11/62/94/524116294.db2.gz PVWWINKEEUEDNQ-MRXNPFEDSA-N 2 1 298.430 3.944 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCc3ccccc32)CC[N@@H+]1C ZINC000156216846 525272073 /nfs/dbraw/zinc/27/20/73/525272073.db2.gz BUORVAQHVXGKBC-UWWQBHOKSA-N 2 1 272.436 3.526 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCc3ccccc32)CC[N@H+]1C ZINC000156216846 525272078 /nfs/dbraw/zinc/27/20/78/525272078.db2.gz BUORVAQHVXGKBC-UWWQBHOKSA-N 2 1 272.436 3.526 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(F)cc1 ZINC000037786296 525402627 /nfs/dbraw/zinc/40/26/27/525402627.db2.gz UARJHAJKQZOMIP-CYBMUJFWSA-N 2 1 278.415 3.739 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cc2ccccc2o1 ZINC000279020129 525420517 /nfs/dbraw/zinc/42/05/17/525420517.db2.gz USLARCKGWDOKIF-UONOGXRCSA-N 2 1 295.386 3.543 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277071175 526043511 /nfs/dbraw/zinc/04/35/11/526043511.db2.gz DSZVDEZTBQISHK-BBRMVZONSA-N 2 1 280.843 3.817 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277071175 526043522 /nfs/dbraw/zinc/04/35/22/526043522.db2.gz DSZVDEZTBQISHK-BBRMVZONSA-N 2 1 280.843 3.817 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226326499 526070508 /nfs/dbraw/zinc/07/05/08/526070508.db2.gz NJVFXRNNBKQSQW-CVEARBPZSA-N 2 1 282.431 3.962 20 0 CHADMP CSc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000036994382 526071321 /nfs/dbraw/zinc/07/13/21/526071321.db2.gz UBJRETPBQGWAQV-WWTUQBGBSA-N 2 1 290.476 3.684 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000062018827 526076147 /nfs/dbraw/zinc/07/61/47/526076147.db2.gz QMXTWEVVTLFRSQ-CYBMUJFWSA-N 2 1 280.843 3.723 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(Cl)o1 ZINC000340424514 526246477 /nfs/dbraw/zinc/24/64/77/526246477.db2.gz FOOQXIDNQWQFBY-ZDUSSCGKSA-N 2 1 284.831 3.677 20 0 CHADMP Cc1nc(C)c([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)s1 ZINC000111361563 526744804 /nfs/dbraw/zinc/74/48/04/526744804.db2.gz JZSZDNVSMLFLPR-GFCCVEGCSA-N 2 1 295.496 3.673 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000275845501 527423227 /nfs/dbraw/zinc/42/32/27/527423227.db2.gz KCSLRMVMZQYYIE-MOPGFXCFSA-N 2 1 297.446 3.682 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3ccccc3n2)C[C@@H]1C ZINC000353749439 527755023 /nfs/dbraw/zinc/75/50/23/527755023.db2.gz KYYQWUJWBFSMNV-MAUKXSAKSA-N 2 1 297.446 3.539 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3ccccc3n2)C[C@@H]1C ZINC000353749439 527755031 /nfs/dbraw/zinc/75/50/31/527755031.db2.gz KYYQWUJWBFSMNV-MAUKXSAKSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc3ccccc3n2)C[C@@H]1C ZINC000353749439 527755034 /nfs/dbraw/zinc/75/50/34/527755034.db2.gz KYYQWUJWBFSMNV-MAUKXSAKSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc3ccccc3n2)C[C@@H]1C ZINC000353749439 527755038 /nfs/dbraw/zinc/75/50/38/527755038.db2.gz KYYQWUJWBFSMNV-MAUKXSAKSA-N 2 1 297.446 3.539 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)sc2C)C[C@H]1C ZINC000353748902 527756447 /nfs/dbraw/zinc/75/64/47/527756447.db2.gz STKXTXKKTVPCJQ-MLGOLLRUSA-N 2 1 280.481 3.670 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)sc2C)C[C@H]1C ZINC000353748902 527756453 /nfs/dbraw/zinc/75/64/53/527756453.db2.gz STKXTXKKTVPCJQ-MLGOLLRUSA-N 2 1 280.481 3.670 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)sc2C)C[C@H]1C ZINC000353748902 527756455 /nfs/dbraw/zinc/75/64/55/527756455.db2.gz STKXTXKKTVPCJQ-MLGOLLRUSA-N 2 1 280.481 3.670 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)sc2C)C[C@H]1C ZINC000353748902 527756462 /nfs/dbraw/zinc/75/64/62/527756462.db2.gz STKXTXKKTVPCJQ-MLGOLLRUSA-N 2 1 280.481 3.670 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)sc2C)C[C@@H]1C ZINC000353748901 527834871 /nfs/dbraw/zinc/83/48/71/527834871.db2.gz STKXTXKKTVPCJQ-LRDDRELGSA-N 2 1 280.481 3.670 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)sc2C)C[C@@H]1C ZINC000353748901 527834874 /nfs/dbraw/zinc/83/48/74/527834874.db2.gz STKXTXKKTVPCJQ-LRDDRELGSA-N 2 1 280.481 3.670 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)sc2C)C[C@@H]1C ZINC000353748901 527834877 /nfs/dbraw/zinc/83/48/77/527834877.db2.gz STKXTXKKTVPCJQ-LRDDRELGSA-N 2 1 280.481 3.670 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)sc2C)C[C@@H]1C ZINC000353748901 527834880 /nfs/dbraw/zinc/83/48/80/527834880.db2.gz STKXTXKKTVPCJQ-LRDDRELGSA-N 2 1 280.481 3.670 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3occc3c2)[C@@H](C)C1 ZINC000347862867 527835138 /nfs/dbraw/zinc/83/51/38/527835138.db2.gz WVRFIPOJNSEWCG-YOEHRIQHSA-N 2 1 286.419 3.595 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3occc3c2)[C@@H](C)C1 ZINC000347862867 527835140 /nfs/dbraw/zinc/83/51/40/527835140.db2.gz WVRFIPOJNSEWCG-YOEHRIQHSA-N 2 1 286.419 3.595 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3occc3c2)[C@@H](C)C1 ZINC000347862867 527835145 /nfs/dbraw/zinc/83/51/45/527835145.db2.gz WVRFIPOJNSEWCG-YOEHRIQHSA-N 2 1 286.419 3.595 20 0 CHADMP CC(C)CC[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccoc1 ZINC000353454268 527847770 /nfs/dbraw/zinc/84/77/70/527847770.db2.gz JDUZZMIQXNDEOA-KRWDZBQOSA-N 2 1 278.440 3.832 20 0 CHADMP CC[N@H+](CC[NH2+][C@H](C)C1CCC(F)(F)CC1)C(C)C ZINC000353227184 528515312 /nfs/dbraw/zinc/51/53/12/528515312.db2.gz AUEWQUHHGHWHHM-CYBMUJFWSA-N 2 1 276.415 3.520 20 0 CHADMP CC[N@@H+](CC[NH2+][C@H](C)C1CCC(F)(F)CC1)C(C)C ZINC000353227184 528515316 /nfs/dbraw/zinc/51/53/16/528515316.db2.gz AUEWQUHHGHWHHM-CYBMUJFWSA-N 2 1 276.415 3.520 20 0 CHADMP CCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192933100 528763232 /nfs/dbraw/zinc/76/32/32/528763232.db2.gz IKYYUGWXPGUPSY-AEFFLSMTSA-N 2 1 274.452 3.677 20 0 CHADMP CCC[N@H+](CC)CC[NH2+]C[C@@H](CC)c1ccccc1 ZINC001650637897 1118019660 /nfs/dbraw/zinc/01/96/60/1118019660.db2.gz IZGLQRSMDFNEIA-MRXNPFEDSA-N 2 1 262.441 3.502 20 0 CHADMP CCC[N@@H+](CC)CC[NH2+]C[C@@H](CC)c1ccccc1 ZINC001650637897 1118019665 /nfs/dbraw/zinc/01/96/65/1118019665.db2.gz IZGLQRSMDFNEIA-MRXNPFEDSA-N 2 1 262.441 3.502 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000093770451 1119661099 /nfs/dbraw/zinc/66/10/99/1119661099.db2.gz ILSCYVFIXQWCQH-AWEZNQCLSA-N 2 1 294.508 3.819 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000093770451 1119661102 /nfs/dbraw/zinc/66/11/02/1119661102.db2.gz ILSCYVFIXQWCQH-AWEZNQCLSA-N 2 1 294.508 3.819 20 0 CHADMP CC(C)CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccoc1 ZINC000375889122 1119778588 /nfs/dbraw/zinc/77/85/88/1119778588.db2.gz NUWQWZQYTQUTAH-SQNIBIBYSA-N 2 1 290.451 3.973 20 0 CHADMP CC(C)CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccoc1 ZINC000375889122 1119778592 /nfs/dbraw/zinc/77/85/92/1119778592.db2.gz NUWQWZQYTQUTAH-SQNIBIBYSA-N 2 1 290.451 3.973 20 0 CHADMP C(C[NH2+]C1CCCCC1)C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000228069998 1120609526 /nfs/dbraw/zinc/60/95/26/1120609526.db2.gz BGQXGPFZPCWYKF-DOTOQJQBSA-N 2 1 264.457 3.563 20 0 CHADMP Clc1ccc(C[N@H+](C[C@@H]2CC[NH2+]C2)C2CC2)cc1Cl ZINC000647881155 1121874300 /nfs/dbraw/zinc/87/43/00/1121874300.db2.gz IAEKZNUNOWLFFL-GFCCVEGCSA-N 2 1 299.245 3.567 20 0 CHADMP Clc1ccc(C[N@@H+](C[C@@H]2CC[NH2+]C2)C2CC2)cc1Cl ZINC000647881155 1121874308 /nfs/dbraw/zinc/87/43/08/1121874308.db2.gz IAEKZNUNOWLFFL-GFCCVEGCSA-N 2 1 299.245 3.567 20 0 CHADMP CSc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205922932 1123122142 /nfs/dbraw/zinc/12/21/42/1123122142.db2.gz DSJSRVLZNAMRSC-RYUDHWBXSA-N 2 1 298.883 3.621 20 0 CHADMP CSc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205922932 1123122145 /nfs/dbraw/zinc/12/21/45/1123122145.db2.gz DSJSRVLZNAMRSC-RYUDHWBXSA-N 2 1 298.883 3.621 20 0 CHADMP C[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853240248 1123428906 /nfs/dbraw/zinc/42/89/06/1123428906.db2.gz NRODDDNKPPFWHZ-HOCLYGCPSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1CCCC1 ZINC000474470101 1123536731 /nfs/dbraw/zinc/53/67/31/1123536731.db2.gz DPISJLAODJAHQC-HZPDHXFCSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@@H]([NH2+]CC[N@@H+]1CCCC1(C)C)C1CCC(F)(F)CC1 ZINC000449781575 1124870604 /nfs/dbraw/zinc/87/06/04/1124870604.db2.gz IPIXBUMPXQCVKR-CYBMUJFWSA-N 2 1 288.426 3.664 20 0 CHADMP C[C@@H]([NH2+]CC[N@H+]1CCCC1(C)C)C1CCC(F)(F)CC1 ZINC000449781575 1124870612 /nfs/dbraw/zinc/87/06/12/1124870612.db2.gz IPIXBUMPXQCVKR-CYBMUJFWSA-N 2 1 288.426 3.664 20 0 CHADMP CCCCC(CCCC)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246583763 1131690377 /nfs/dbraw/zinc/69/03/77/1131690377.db2.gz RWVHJBVTWPYMJJ-OAHLLOKOSA-N 2 1 254.462 3.796 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2C[C@H](C)CC23CC3)CC1 ZINC001173113431 1132393177 /nfs/dbraw/zinc/39/31/77/1132393177.db2.gz QBPUBOTXJAGAPI-QQFBHYJXSA-N 2 1 264.457 3.514 20 0 CHADMP CCCC[C@@H](CC(C)C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001173259886 1132427879 /nfs/dbraw/zinc/42/78/79/1132427879.db2.gz MYHAGIDDBNEJBJ-DLBZAZTESA-N 2 1 266.473 3.619 20 0 CHADMP CCCC[C@@H](CC(C)C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001173259886 1132427887 /nfs/dbraw/zinc/42/78/87/1132427887.db2.gz MYHAGIDDBNEJBJ-DLBZAZTESA-N 2 1 266.473 3.619 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206334898 1133691498 /nfs/dbraw/zinc/69/14/98/1133691498.db2.gz ALSSUPRSAPSOGS-JKSUJKDBSA-N 2 1 270.436 3.522 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206334898 1133691502 /nfs/dbraw/zinc/69/15/02/1133691502.db2.gz ALSSUPRSAPSOGS-JKSUJKDBSA-N 2 1 270.436 3.522 20 0 CHADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2c2ccc(Cl)s2)CC1 ZINC001207398637 1133797683 /nfs/dbraw/zinc/79/76/83/1133797683.db2.gz FEWTVRKYQSYKIZ-CYBMUJFWSA-N 2 1 298.883 3.880 20 0 CHADMP CC[NH+](Cc1cccc(Cl)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC001208616989 1133918348 /nfs/dbraw/zinc/91/83/48/1133918348.db2.gz LTMAVWMUFNLCBB-HNNXBMFYSA-N 2 1 280.843 3.504 20 0 CHADMP FC1(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000348317277 1125541117 /nfs/dbraw/zinc/54/11/17/1125541117.db2.gz JKFYSJUXDQYVIA-UHFFFAOYSA-N 2 1 290.426 3.523 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)s1 ZINC000121411697 1125560870 /nfs/dbraw/zinc/56/08/70/1125560870.db2.gz XGWLRWUUWFPOIG-DGCLKSJQSA-N 2 1 277.437 3.548 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000245604300 1125584735 /nfs/dbraw/zinc/58/47/35/1125584735.db2.gz JPRSTHSCXRSUOS-YJBOKZPZSA-N 2 1 283.419 3.665 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000245604300 1125584736 /nfs/dbraw/zinc/58/47/36/1125584736.db2.gz JPRSTHSCXRSUOS-YJBOKZPZSA-N 2 1 283.419 3.665 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2coc3ccccc23)[C@@H](C)C1 ZINC000245708755 1125591191 /nfs/dbraw/zinc/59/11/91/1125591191.db2.gz FQBNGQNQYPKFTG-WMLDXEAASA-N 2 1 286.419 3.595 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2coc3ccccc23)[C@@H](C)C1 ZINC000245708755 1125591196 /nfs/dbraw/zinc/59/11/96/1125591196.db2.gz FQBNGQNQYPKFTG-WMLDXEAASA-N 2 1 286.419 3.595 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2coc3ccccc23)[C@@H](C)C1 ZINC000245708755 1125591199 /nfs/dbraw/zinc/59/11/99/1125591199.db2.gz FQBNGQNQYPKFTG-WMLDXEAASA-N 2 1 286.419 3.595 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000533564950 1125616518 /nfs/dbraw/zinc/61/65/18/1125616518.db2.gz LSZYFQZVJOQBQL-GDBMZVCRSA-N 2 1 277.456 3.634 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000886119162 1125653207 /nfs/dbraw/zinc/65/32/07/1125653207.db2.gz ZLNKNJWXBSGJAX-DLBZAZTESA-N 2 1 296.499 3.578 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000886119162 1125653210 /nfs/dbraw/zinc/65/32/10/1125653210.db2.gz ZLNKNJWXBSGJAX-DLBZAZTESA-N 2 1 296.499 3.578 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000886121196 1125653216 /nfs/dbraw/zinc/65/32/16/1125653216.db2.gz XMCJMNAHPATHPS-SJORKVTESA-N 2 1 296.499 3.578 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000886121196 1125653219 /nfs/dbraw/zinc/65/32/19/1125653219.db2.gz XMCJMNAHPATHPS-SJORKVTESA-N 2 1 296.499 3.578 20 0 CHADMP Cc1[nH]c(C2CC[NH+](Cc3cccc(F)c3)CC2)[nH+]c1C ZINC000886672088 1125705463 /nfs/dbraw/zinc/70/54/63/1125705463.db2.gz IKSRMKFZUJAIJF-UHFFFAOYSA-N 2 1 287.382 3.545 20 0 CHADMP CC/C=C\CC[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886662293 1125705853 /nfs/dbraw/zinc/70/58/53/1125705853.db2.gz AZLUTVZDDMMEGR-WAYWQWQTSA-N 2 1 261.413 3.562 20 0 CHADMP CCC1([NH+]2CCC2)CC[NH+](CCCCC(F)(F)F)CC1 ZINC000886716311 1125712207 /nfs/dbraw/zinc/71/22/07/1125712207.db2.gz VGOPFCDGBWVPJB-UHFFFAOYSA-N 2 1 292.389 3.669 20 0 CHADMP Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000261701537 1125739665 /nfs/dbraw/zinc/73/96/65/1125739665.db2.gz CPYUYGOSZALLJI-FHWLQOOXSA-N 2 1 286.463 3.563 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261769209 1125742498 /nfs/dbraw/zinc/74/24/98/1125742498.db2.gz MLWKRTOIMZOASO-GRDNDAEWSA-N 2 1 294.870 3.763 20 0 CHADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC000261856835 1125745677 /nfs/dbraw/zinc/74/56/77/1125745677.db2.gz RXLCKZLRSPFNAM-LJQANCHMSA-N 2 1 280.415 3.524 20 0 CHADMP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000262020650 1125750633 /nfs/dbraw/zinc/75/06/33/1125750633.db2.gz NCKMHNRHMOYXRN-XJKSGUPXSA-N 2 1 295.496 3.567 20 0 CHADMP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000262020650 1125750638 /nfs/dbraw/zinc/75/06/38/1125750638.db2.gz NCKMHNRHMOYXRN-XJKSGUPXSA-N 2 1 295.496 3.567 20 0 CHADMP CC[N@H+]1CCC[C@@H](CNc2cc[nH+]c3cc(F)ccc23)C1 ZINC001118579719 1131232162 /nfs/dbraw/zinc/23/21/62/1131232162.db2.gz RHXFWVJHXRTQRG-ZDUSSCGKSA-N 2 1 287.382 3.518 20 0 CHADMP Cc1nccn1CCCC[N@H+](CC(C)C)C1CCCC1 ZINC000348041484 1129275837 /nfs/dbraw/zinc/27/58/37/1129275837.db2.gz HLNCCDDHIGBDAV-UHFFFAOYSA-N 2 1 277.456 3.872 20 0 CHADMP CCCc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)s1 ZINC000621723964 1129186393 /nfs/dbraw/zinc/18/63/93/1129186393.db2.gz WLHMZSBDGBZWQH-UHFFFAOYSA-N 2 1 292.492 3.761 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CCC1CCCCC1 ZINC000338008272 1126709110 /nfs/dbraw/zinc/70/91/10/1126709110.db2.gz PLXXHCNUYLZCOD-OAHLLOKOSA-N 2 1 277.456 3.920 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCc2c(C)ccc(C)c21 ZINC000338016565 1126710581 /nfs/dbraw/zinc/71/05/81/1126710581.db2.gz GITMWPWLOPMKEO-SFHVURJKSA-N 2 1 297.446 3.866 20 0 CHADMP CCCC[C@H]1CCC[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000338032467 1126713476 /nfs/dbraw/zinc/71/34/76/1126713476.db2.gz VZKTYGIUFVNHDK-HOTGVXAUSA-N 2 1 263.429 3.530 20 0 CHADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000481955923 1126735969 /nfs/dbraw/zinc/73/59/69/1126735969.db2.gz YELOJBWAIJKFHI-QWRGUYRKSA-N 2 1 289.250 3.984 20 0 CHADMP CCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000482233319 1126746587 /nfs/dbraw/zinc/74/65/87/1126746587.db2.gz FNQWECGSGJTYMZ-XIRDDKMYSA-N 2 1 266.473 3.808 20 0 CHADMP CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000482233319 1126746590 /nfs/dbraw/zinc/74/65/90/1126746590.db2.gz FNQWECGSGJTYMZ-XIRDDKMYSA-N 2 1 266.473 3.808 20 0 CHADMP CSC[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000151003602 1126748853 /nfs/dbraw/zinc/74/88/53/1126748853.db2.gz PBIGMRYBZYMGDL-QWHCGFSZSA-N 2 1 289.448 3.583 20 0 CHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)[C@H]1CCc2ccc(F)cc21 ZINC000483062964 1126766208 /nfs/dbraw/zinc/76/62/08/1126766208.db2.gz LFMSEUISFLKLOZ-WMZOPIPTSA-N 2 1 290.426 3.619 20 0 CHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@H]1CCc2ccc(F)cc21 ZINC000483062964 1126766210 /nfs/dbraw/zinc/76/62/10/1126766210.db2.gz LFMSEUISFLKLOZ-WMZOPIPTSA-N 2 1 290.426 3.619 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CCc2ccc(F)cc21 ZINC000483062964 1126766212 /nfs/dbraw/zinc/76/62/12/1126766212.db2.gz LFMSEUISFLKLOZ-WMZOPIPTSA-N 2 1 290.426 3.619 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@H]1CCc2ccc(F)cc21 ZINC000483062964 1126766214 /nfs/dbraw/zinc/76/62/14/1126766214.db2.gz LFMSEUISFLKLOZ-WMZOPIPTSA-N 2 1 290.426 3.619 20 0 CHADMP Cc1ncc(C[N@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)n1C ZINC000668229847 1126778607 /nfs/dbraw/zinc/77/86/07/1126778607.db2.gz VUIMYQRGHUNZPX-SFHVURJKSA-N 2 1 295.430 3.846 20 0 CHADMP Cc1ncc(CN2CC3(CCCC3)[C@@H]2c2ccccc2)n1C ZINC000668229847 1126778610 /nfs/dbraw/zinc/77/86/10/1126778610.db2.gz VUIMYQRGHUNZPX-SFHVURJKSA-N 2 1 295.430 3.846 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC000483313230 1126780286 /nfs/dbraw/zinc/78/02/86/1126780286.db2.gz JGIPSXMMMAPCJA-KRWDZBQOSA-N 2 1 266.473 3.667 20 0 CHADMP CC(C)[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000483733654 1126799149 /nfs/dbraw/zinc/79/91/49/1126799149.db2.gz VSZIMDLUWJKJQC-QRQLOZEOSA-N 2 1 288.479 3.716 20 0 CHADMP CC(C)[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000483733654 1126799153 /nfs/dbraw/zinc/79/91/53/1126799153.db2.gz VSZIMDLUWJKJQC-QRQLOZEOSA-N 2 1 288.479 3.716 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccccc1Cl ZINC000177295559 1126799389 /nfs/dbraw/zinc/79/93/89/1126799389.db2.gz AUPJUFILTWKQDD-STQMWFEESA-N 2 1 291.826 3.832 20 0 CHADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1Cl ZINC000484478000 1126820751 /nfs/dbraw/zinc/82/07/51/1126820751.db2.gz REAMZKHEXDAMEF-MELADBBJSA-N 2 1 280.843 3.863 20 0 CHADMP C[C@@H](c1ccccc1Cl)[N@@H+](C)CCCn1ccnc1 ZINC000181058679 1126851478 /nfs/dbraw/zinc/85/14/78/1126851478.db2.gz OBJOCHCRIIIZPU-ZDUSSCGKSA-N 2 1 277.799 3.620 20 0 CHADMP Cc1cccnc1[C@H]([NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1)C(C)(C)C ZINC000904469246 1126853812 /nfs/dbraw/zinc/85/38/12/1126853812.db2.gz KGULSZZDUDHECV-ZOBUZTSGSA-N 2 1 289.467 3.597 20 0 CHADMP CC[C@@H](CSc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000181666944 1126860134 /nfs/dbraw/zinc/86/01/34/1126860134.db2.gz PLRHBWRKSNKRKK-OWCLPIDISA-N 2 1 292.492 3.630 20 0 CHADMP CC[C@@H](CSc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181666944 1126860137 /nfs/dbraw/zinc/86/01/37/1126860137.db2.gz PLRHBWRKSNKRKK-OWCLPIDISA-N 2 1 292.492 3.630 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CC1 ZINC000165007966 1129211422 /nfs/dbraw/zinc/21/14/22/1129211422.db2.gz DBXBEXYSNHSSBV-ZOBUZTSGSA-N 2 1 292.492 3.909 20 0 CHADMP CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1cccnc1 ZINC000185357855 1126899367 /nfs/dbraw/zinc/89/93/67/1126899367.db2.gz RJWFYQCKLYMQBD-SJLPKXTDSA-N 2 1 289.467 3.633 20 0 CHADMP Clc1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cs1 ZINC001235157718 1130716784 /nfs/dbraw/zinc/71/67/84/1130716784.db2.gz KLFUTCJROYXXDK-CQSZACIVSA-N 2 1 298.883 3.756 20 0 CHADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(F)cc(Cl)c2)[C@@H](C)C1 ZINC000485685947 1126943138 /nfs/dbraw/zinc/94/31/38/1126943138.db2.gz RKSUTVDTQIUMGI-LRDDRELGSA-N 2 1 298.833 3.641 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)cc(Cl)c2)[C@@H](C)C1 ZINC000485685947 1126943139 /nfs/dbraw/zinc/94/31/39/1126943139.db2.gz RKSUTVDTQIUMGI-LRDDRELGSA-N 2 1 298.833 3.641 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)cc(Cl)c2)[C@@H](C)C1 ZINC000485685947 1126943143 /nfs/dbraw/zinc/94/31/43/1126943143.db2.gz RKSUTVDTQIUMGI-LRDDRELGSA-N 2 1 298.833 3.641 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)cc(Cl)c2)[C@@H](C)C1 ZINC000485685947 1126943148 /nfs/dbraw/zinc/94/31/48/1126943148.db2.gz RKSUTVDTQIUMGI-LRDDRELGSA-N 2 1 298.833 3.641 20 0 CHADMP CCC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccsc1 ZINC000191208499 1126948779 /nfs/dbraw/zinc/94/87/79/1126948779.db2.gz HLCSCXOAOCYUNW-UKRRQHHQSA-N 2 1 266.454 3.521 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)c1cccs1 ZINC001319754032 1126984106 /nfs/dbraw/zinc/98/41/06/1126984106.db2.gz IXLLSTPDILHRDS-UONOGXRCSA-N 2 1 266.454 3.521 20 0 CHADMP Cc1ccccc1[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000268900944 1127027672 /nfs/dbraw/zinc/02/76/72/1127027672.db2.gz QDTLALCVDLLZOL-UWWQBHOKSA-N 2 1 272.436 3.518 20 0 CHADMP Cc1ccccc1[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000268900944 1127027673 /nfs/dbraw/zinc/02/76/73/1127027673.db2.gz QDTLALCVDLLZOL-UWWQBHOKSA-N 2 1 272.436 3.518 20 0 CHADMP C[C@H]1C[C@H]1C[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236565682 1130976445 /nfs/dbraw/zinc/97/64/45/1130976445.db2.gz MNKMHVVMAZAFII-JKQORVJESA-N 2 1 264.457 3.547 20 0 CHADMP Cc1ccncc1[C@@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000271338967 1127075981 /nfs/dbraw/zinc/07/59/81/1127075981.db2.gz BSSHYKGOXSMXIR-QGZVFWFLSA-N 2 1 297.446 3.563 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cnccc2C)c1 ZINC000271588966 1127094109 /nfs/dbraw/zinc/09/41/09/1127094109.db2.gz SQPYWDNOOSMLKO-MRXNPFEDSA-N 2 1 297.446 3.693 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(C)(C)C ZINC000165331706 1129214900 /nfs/dbraw/zinc/21/49/00/1129214900.db2.gz VAVFKYCRYUGFTR-AEFFLSMTSA-N 2 1 288.479 3.575 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000283488256 1127139589 /nfs/dbraw/zinc/13/95/89/1127139589.db2.gz XRXNGGRAHFRWOA-PDWMJMLSSA-N 2 1 297.446 3.609 20 0 CHADMP C/C(=C/c1ccccc1)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000349352197 1127147870 /nfs/dbraw/zinc/14/78/70/1127147870.db2.gz QVZIKPAPOQPEMH-PEZBUJJGSA-N 2 1 283.419 3.617 20 0 CHADMP C/C(=C/c1ccccc1)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000349352197 1127147874 /nfs/dbraw/zinc/14/78/74/1127147874.db2.gz QVZIKPAPOQPEMH-PEZBUJJGSA-N 2 1 283.419 3.617 20 0 CHADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1CC=CCC1 ZINC000350318428 1127177393 /nfs/dbraw/zinc/17/73/93/1127177393.db2.gz NPBXOYADAZKVKY-KRWDZBQOSA-N 2 1 299.462 3.586 20 0 CHADMP CC[NH+](CC)CCC[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000351350306 1127188110 /nfs/dbraw/zinc/18/81/10/1127188110.db2.gz JPQVQJKWACVKEQ-UHFFFAOYSA-N 2 1 278.415 3.522 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000351350306 1127188111 /nfs/dbraw/zinc/18/81/11/1127188111.db2.gz JPQVQJKWACVKEQ-UHFFFAOYSA-N 2 1 278.415 3.522 20 0 CHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H]1c1ccsc1 ZINC000351619922 1127199270 /nfs/dbraw/zinc/19/92/70/1127199270.db2.gz OESSIBWEFYJYEZ-HZPDHXFCSA-N 2 1 278.465 3.759 20 0 CHADMP CC(C)C(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C(C)C ZINC000572489930 1127201964 /nfs/dbraw/zinc/20/19/64/1127201964.db2.gz JUHCEHRWOYNVDA-LPHOPBHVSA-N 2 1 292.511 3.863 20 0 CHADMP CC(C)C(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C(C)C ZINC000572489930 1127201967 /nfs/dbraw/zinc/20/19/67/1127201967.db2.gz JUHCEHRWOYNVDA-LPHOPBHVSA-N 2 1 292.511 3.863 20 0 CHADMP CC(C)C(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C(C)C ZINC000572489930 1127201971 /nfs/dbraw/zinc/20/19/71/1127201971.db2.gz JUHCEHRWOYNVDA-LPHOPBHVSA-N 2 1 292.511 3.863 20 0 CHADMP CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000352338720 1127225340 /nfs/dbraw/zinc/22/53/40/1127225340.db2.gz VPKRPDQAUSDRRD-GOSISDBHSA-N 2 1 297.446 3.988 20 0 CHADMP C[NH+]1CCC([NH2+][C@H]2CCCC[C@H](c3ccccc3)C2)CC1 ZINC000498364318 1127224693 /nfs/dbraw/zinc/22/46/93/1127224693.db2.gz OYOQUXGBPVCDLY-HKUYNNGSSA-N 2 1 286.463 3.787 20 0 CHADMP Cc1ccnc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000285472532 1127230343 /nfs/dbraw/zinc/23/03/43/1127230343.db2.gz AXWCMCKSJQGELK-SJORKVTESA-N 2 1 289.467 3.695 20 0 CHADMP CC(C)CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccoc1 ZINC000285899685 1127246158 /nfs/dbraw/zinc/24/61/58/1127246158.db2.gz BGFXSGVTQFGKIX-KRWDZBQOSA-N 2 1 276.424 3.608 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC000590786926 1127273249 /nfs/dbraw/zinc/27/32/49/1127273249.db2.gz VFSAGEBXUSUJQS-OAHLLOKOSA-N 2 1 292.442 3.939 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000590786867 1127273399 /nfs/dbraw/zinc/27/33/99/1127273399.db2.gz DGCSKYGQYRZTMO-UHFFFAOYSA-N 2 1 294.870 3.892 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000669418362 1127316326 /nfs/dbraw/zinc/31/63/26/1127316326.db2.gz BUWGQGZZJKQRCW-YHUYYLMFSA-N 2 1 292.492 3.562 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000669418359 1127316376 /nfs/dbraw/zinc/31/63/76/1127316376.db2.gz BUWGQGZZJKQRCW-FXUDXRNXSA-N 2 1 292.492 3.562 20 0 CHADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC3CCCCCC3)CC[C@@H]21 ZINC000573486799 1127316782 /nfs/dbraw/zinc/31/67/82/1127316782.db2.gz RMDXMFWWXPQKLH-MSOLQXFVSA-N 2 1 278.484 3.763 20 0 CHADMP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000573986261 1127348018 /nfs/dbraw/zinc/34/80/18/1127348018.db2.gz ZIIGZCCBKMNVSX-XGXHKWSGSA-N 2 1 286.463 3.990 20 0 CHADMP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000573986261 1127348023 /nfs/dbraw/zinc/34/80/23/1127348023.db2.gz ZIIGZCCBKMNVSX-XGXHKWSGSA-N 2 1 286.463 3.990 20 0 CHADMP CSC1(C[NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CCC1 ZINC000356332285 1127383072 /nfs/dbraw/zinc/38/30/72/1127383072.db2.gz FUPCHHLBTSUTHA-MRXNPFEDSA-N 2 1 296.524 3.659 20 0 CHADMP CSC1(C[NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CCC1 ZINC000356332285 1127383075 /nfs/dbraw/zinc/38/30/75/1127383075.db2.gz FUPCHHLBTSUTHA-MRXNPFEDSA-N 2 1 296.524 3.659 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000358090123 1127402074 /nfs/dbraw/zinc/40/20/74/1127402074.db2.gz VAAWSOJUDRMJQU-ZBFHGGJFSA-N 2 1 285.435 3.795 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc2c(s1)CCC2 ZINC000360030098 1127487292 /nfs/dbraw/zinc/48/72/92/1127487292.db2.gz UFGJKVIZOLEFTG-AEGPPILISA-N 2 1 290.476 3.514 20 0 CHADMP CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1ccc(F)cc1F ZINC000360433836 1127498820 /nfs/dbraw/zinc/49/88/20/1127498820.db2.gz OUQZVPHTUSVWBG-DYVFJYSZSA-N 2 1 296.405 3.737 20 0 CHADMP CC(F)(F)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000293571181 1127506186 /nfs/dbraw/zinc/50/61/86/1127506186.db2.gz BHOJFNGAHKEZGN-HOTGVXAUSA-N 2 1 294.389 3.515 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC000293657345 1127511210 /nfs/dbraw/zinc/51/12/10/1127511210.db2.gz LSBYBJFYDWXZHV-YQVWRLOYSA-N 2 1 284.447 3.589 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CCc1ccsc1 ZINC000360966590 1127524642 /nfs/dbraw/zinc/52/46/42/1127524642.db2.gz QAHXWROGFIWCQU-KGLIPLIRSA-N 2 1 291.464 3.500 20 0 CHADMP CCSc1ccccc1[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000360941410 1127522393 /nfs/dbraw/zinc/52/23/93/1127522393.db2.gz KHUNQBGXWDDDEI-CYBMUJFWSA-N 2 1 289.448 3.654 20 0 CHADMP CC(C)C[C@@H](CNc1cc[nH+]c2ccsc21)[NH+](C)C ZINC000361135956 1127540814 /nfs/dbraw/zinc/54/08/14/1127540814.db2.gz KOIJARNKBHCKGN-LBPRGKRZSA-N 2 1 277.437 3.685 20 0 CHADMP CC[NH+](CC)C1CC[NH+](C[C@@H](C)c2ccc(C)cc2)CC1 ZINC001118880336 1131239943 /nfs/dbraw/zinc/23/99/43/1131239943.db2.gz KDEFBESNWXPVOC-QGZVFWFLSA-N 2 1 288.479 3.905 20 0 CHADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000361711644 1127583646 /nfs/dbraw/zinc/58/36/46/1127583646.db2.gz KZFAVRHFCJZYOQ-IBGZPJMESA-N 2 1 295.430 3.945 20 0 CHADMP CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1F ZINC000296000686 1127659494 /nfs/dbraw/zinc/65/94/94/1127659494.db2.gz QHQNJFDIZKNTJJ-PLTIAYLTSA-N 2 1 294.389 3.631 20 0 CHADMP CCC1([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000296672926 1127681100 /nfs/dbraw/zinc/68/11/00/1127681100.db2.gz KUTFKZJUBBWTRP-RDJZCZTQSA-N 2 1 272.436 3.572 20 0 CHADMP CCC1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000296672926 1127681102 /nfs/dbraw/zinc/68/11/02/1127681102.db2.gz KUTFKZJUBBWTRP-RDJZCZTQSA-N 2 1 272.436 3.572 20 0 CHADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1nccc2ccccc21 ZINC000296646228 1127679947 /nfs/dbraw/zinc/67/99/47/1127679947.db2.gz YMCYCLMZBKHVTE-LNRIEFBSSA-N 2 1 295.430 3.511 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1nccc2ccccc21 ZINC000296646228 1127679952 /nfs/dbraw/zinc/67/99/52/1127679952.db2.gz YMCYCLMZBKHVTE-LNRIEFBSSA-N 2 1 295.430 3.511 20 0 CHADMP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccsc1 ZINC000297649037 1127703143 /nfs/dbraw/zinc/70/31/43/1127703143.db2.gz KBTMWVPJHWDUPN-HNNXBMFYSA-N 2 1 277.437 3.774 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1ccsc1 ZINC000297645653 1127703262 /nfs/dbraw/zinc/70/32/62/1127703262.db2.gz JXTVZHRFDSSKNA-GOEBONIOSA-N 2 1 280.481 3.909 20 0 CHADMP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCc1cncn1C ZINC000297748391 1127706202 /nfs/dbraw/zinc/70/62/02/1127706202.db2.gz KYRMWDQESNHPNR-RTBURBONSA-N 2 1 297.446 3.621 20 0 CHADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1C(F)(F)F ZINC000061627538 1127708216 /nfs/dbraw/zinc/70/82/16/1127708216.db2.gz QPBSNERTZRMCCM-AGUYFDCRSA-N 2 1 298.352 3.550 20 0 CHADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1C(F)(F)F ZINC000061627538 1127708221 /nfs/dbraw/zinc/70/82/21/1127708221.db2.gz QPBSNERTZRMCCM-AGUYFDCRSA-N 2 1 298.352 3.550 20 0 CHADMP CC[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccsc1 ZINC000297831539 1127709591 /nfs/dbraw/zinc/70/95/91/1127709591.db2.gz RXJYTZTWFAWJLE-INIZCTEOSA-N 2 1 278.465 3.806 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)cs1 ZINC000297864179 1127710060 /nfs/dbraw/zinc/71/00/60/1127710060.db2.gz UGEAWDYQEUHGPP-CYBMUJFWSA-N 2 1 277.437 3.692 20 0 CHADMP c1ccc2cc(CC[NH2+]C3CC[NH+](C4CC4)CC3)ccc2c1 ZINC000298437452 1127723478 /nfs/dbraw/zinc/72/34/78/1127723478.db2.gz NFYREFNPBYTICN-UHFFFAOYSA-N 2 1 294.442 3.599 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCCCCC[NH3+] ZINC000062010670 1127730771 /nfs/dbraw/zinc/73/07/71/1127730771.db2.gz ATBRILXVECIXCP-ZDUSSCGKSA-N 2 1 268.832 3.852 20 0 CHADMP Cc1cccc(C)c1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606447706 1127762702 /nfs/dbraw/zinc/76/27/02/1127762702.db2.gz SPSUBEUIZGOSMS-GOSISDBHSA-N 2 1 286.463 3.754 20 0 CHADMP CC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc(F)c1 ZINC000373523433 1127848243 /nfs/dbraw/zinc/84/82/43/1127848243.db2.gz PGYQKZRTHKOFGH-DAWZGUTISA-N 2 1 290.426 3.883 20 0 CHADMP C[C@H](C[NH+]1C[C@H](C)CC[C@@H]1C)C[N@H+]1C[C@@H](C)CC[C@@H]1C ZINC000608578136 1127878163 /nfs/dbraw/zinc/87/81/63/1127878163.db2.gz RVCDRMQGJOEAHB-ADHGMGHFSA-N 2 1 280.500 3.863 20 0 CHADMP C[C@@H](C[NH+]1C[C@@H](C)CC[C@@H]1C)C[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000608578136 1127878164 /nfs/dbraw/zinc/87/81/64/1127878164.db2.gz RVCDRMQGJOEAHB-ADHGMGHFSA-N 2 1 280.500 3.863 20 0 CHADMP C[C@@H](C[NH+]1C[C@@H](C)CC[C@@H]1C)C[N@H+]1C[C@H](C)CC[C@@H]1C ZINC000608578136 1127878168 /nfs/dbraw/zinc/87/81/68/1127878168.db2.gz RVCDRMQGJOEAHB-ADHGMGHFSA-N 2 1 280.500 3.863 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+](Cc1ccccc1)C(C)(C)C ZINC000535465007 1127915728 /nfs/dbraw/zinc/91/57/28/1127915728.db2.gz XMBYEFQPNKNNTO-KRWDZBQOSA-N 2 1 274.452 3.771 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+](Cc1ccccc1)C(C)(C)C ZINC000535465007 1127915729 /nfs/dbraw/zinc/91/57/29/1127915729.db2.gz XMBYEFQPNKNNTO-KRWDZBQOSA-N 2 1 274.452 3.771 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1ccccc1)C(C)(C)C ZINC000535465007 1127915733 /nfs/dbraw/zinc/91/57/33/1127915733.db2.gz XMBYEFQPNKNNTO-KRWDZBQOSA-N 2 1 274.452 3.771 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000535468076 1127916642 /nfs/dbraw/zinc/91/66/42/1127916642.db2.gz HZEBREHBTHCCDK-HZPDHXFCSA-N 2 1 266.473 3.619 20 0 CHADMP CC[NH+]1CCC([N@H+](C)C[C@@H](C)CCc2ccccc2)CC1 ZINC000539410000 1127922668 /nfs/dbraw/zinc/92/26/68/1127922668.db2.gz OJOXKCQQCOHFMW-KRWDZBQOSA-N 2 1 288.479 3.671 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](C)CCc2ccccc2)CC1 ZINC000539410000 1127922670 /nfs/dbraw/zinc/92/26/70/1127922670.db2.gz OJOXKCQQCOHFMW-KRWDZBQOSA-N 2 1 288.479 3.671 20 0 CHADMP Cc1cc(C)cc(C2=CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000539884847 1127951444 /nfs/dbraw/zinc/95/14/44/1127951444.db2.gz FJRLRFQPZJDYDE-HXUWFJFHSA-N 2 1 298.474 3.877 20 0 CHADMP Cc1cc(C)cc(C2=CC[N@H+](CC[C@H]3CCC[NH+]3C)CC2)c1 ZINC000539884847 1127951447 /nfs/dbraw/zinc/95/14/47/1127951447.db2.gz FJRLRFQPZJDYDE-HXUWFJFHSA-N 2 1 298.474 3.877 20 0 CHADMP Cc1cc(C)cc(C2=CC[N@@H+](CC[C@H]3CCC[NH+]3C)CC2)c1 ZINC000539884847 1127951451 /nfs/dbraw/zinc/95/14/51/1127951451.db2.gz FJRLRFQPZJDYDE-HXUWFJFHSA-N 2 1 298.474 3.877 20 0 CHADMP c1ccc(C[N@H+]2CCC[C@H]3C[NH+](C4CCCC4)CC[C@@H]32)cc1 ZINC000540066161 1127959280 /nfs/dbraw/zinc/95/92/80/1127959280.db2.gz MJHJNIIYBNBTLY-ICSRJNTNSA-N 2 1 298.474 3.916 20 0 CHADMP c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C4CCCC4)CC[C@@H]32)cc1 ZINC000540066161 1127959284 /nfs/dbraw/zinc/95/92/84/1127959284.db2.gz MJHJNIIYBNBTLY-ICSRJNTNSA-N 2 1 298.474 3.916 20 0 CHADMP c1ccc(C[NH+]2CCC[C@H]3C[N@H+](C4CCCC4)CC[C@@H]32)cc1 ZINC000540066161 1127959288 /nfs/dbraw/zinc/95/92/88/1127959288.db2.gz MJHJNIIYBNBTLY-ICSRJNTNSA-N 2 1 298.474 3.916 20 0 CHADMP Cc1cc(C)cc([C@@H]2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000544191488 1127962473 /nfs/dbraw/zinc/96/24/73/1127962473.db2.gz NWFROLCYHIJFRC-MJGOQNOKSA-N 2 1 286.463 3.577 20 0 CHADMP Cc1cc(C)cc([C@@H]2CC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)c1 ZINC000544191488 1127962476 /nfs/dbraw/zinc/96/24/76/1127962476.db2.gz NWFROLCYHIJFRC-MJGOQNOKSA-N 2 1 286.463 3.577 20 0 CHADMP Cc1cc(C)cc([C@@H]2CC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)c1 ZINC000544191488 1127962479 /nfs/dbraw/zinc/96/24/79/1127962479.db2.gz NWFROLCYHIJFRC-MJGOQNOKSA-N 2 1 286.463 3.577 20 0 CHADMP Cc1ccc([C@H]2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)cc1 ZINC000544190662 1127962616 /nfs/dbraw/zinc/96/26/16/1127962616.db2.gz QTZUZFCIGZCZLB-RBUKOAKNSA-N 2 1 286.463 3.659 20 0 CHADMP Cc1ccc([C@H]2CC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)cc1 ZINC000544190662 1127962619 /nfs/dbraw/zinc/96/26/19/1127962619.db2.gz QTZUZFCIGZCZLB-RBUKOAKNSA-N 2 1 286.463 3.659 20 0 CHADMP Cc1ccc([C@H]2CC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)cc1 ZINC000544190662 1127962622 /nfs/dbraw/zinc/96/26/22/1127962622.db2.gz QTZUZFCIGZCZLB-RBUKOAKNSA-N 2 1 286.463 3.659 20 0 CHADMP CCC(C)(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000540153086 1127965083 /nfs/dbraw/zinc/96/50/83/1127965083.db2.gz DTVBQEIJHIQFOQ-MAUKXSAKSA-N 2 1 288.479 3.804 20 0 CHADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cc(Cl)ccc1Cl ZINC000401719037 1127965499 /nfs/dbraw/zinc/96/54/99/1127965499.db2.gz ADWIIHJWDVBRQK-JTQLQIEISA-N 2 1 298.217 3.620 20 0 CHADMP Cc1cc([C@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)C2CC2)ccc1F ZINC000540519085 1127983804 /nfs/dbraw/zinc/98/38/04/1127983804.db2.gz DCTNEWZUTSTFEG-SJLPKXTDSA-N 2 1 290.426 3.659 20 0 CHADMP C[C@@H](CCc1ccccc1)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000540497997 1127981768 /nfs/dbraw/zinc/98/17/68/1127981768.db2.gz NDPACKRZADJOJX-KRWDZBQOSA-N 2 1 288.479 3.529 20 0 CHADMP Cc1cc([C@@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)C2CC2)ccc1F ZINC000540519083 1127983595 /nfs/dbraw/zinc/98/35/95/1127983595.db2.gz DCTNEWZUTSTFEG-AEFFLSMTSA-N 2 1 290.426 3.659 20 0 CHADMP CC(C)[C@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccc(F)c(F)c1 ZINC000540986518 1128004362 /nfs/dbraw/zinc/00/43/62/1128004362.db2.gz UFBUROKYSOESCT-KRWDZBQOSA-N 2 1 298.421 3.982 20 0 CHADMP CC(C)[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccc(F)c(F)c1 ZINC000540986518 1128004367 /nfs/dbraw/zinc/00/43/67/1128004367.db2.gz UFBUROKYSOESCT-KRWDZBQOSA-N 2 1 298.421 3.982 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+]CCc2ccc(C(C)C)cc2)C1 ZINC000468898445 1128026545 /nfs/dbraw/zinc/02/65/45/1128026545.db2.gz HIRJQBPJAYALQA-GOSISDBHSA-N 2 1 288.479 3.674 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC1CC1 ZINC000469759461 1128052232 /nfs/dbraw/zinc/05/22/32/1128052232.db2.gz ZJQHDLWJCSWALE-MNZLEMJZSA-N 2 1 286.463 3.533 20 0 CHADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(-c2ccccc2)c1 ZINC000469866089 1128056713 /nfs/dbraw/zinc/05/67/13/1128056713.db2.gz XIDRNKYWIIJLCE-WBVHZDCISA-N 2 1 280.415 3.523 20 0 CHADMP CC(C)c1ccc(CC[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000470103640 1128063475 /nfs/dbraw/zinc/06/34/75/1128063475.db2.gz GXGBBELPGMIIQX-RBUKOAKNSA-N 2 1 286.463 3.569 20 0 CHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000470363843 1128070265 /nfs/dbraw/zinc/07/02/65/1128070265.db2.gz QPOAOAXFQAVGGU-XJKCOSOUSA-N 2 1 280.843 3.516 20 0 CHADMP CC(C)CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000303511186 1128070360 /nfs/dbraw/zinc/07/03/60/1128070360.db2.gz BLMMMZXKTCHWJA-IRXDYDNUSA-N 2 1 266.473 3.619 20 0 CHADMP CC(C)CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000303511186 1128070363 /nfs/dbraw/zinc/07/03/63/1128070363.db2.gz BLMMMZXKTCHWJA-IRXDYDNUSA-N 2 1 266.473 3.619 20 0 CHADMP CC(C)CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000303511186 1128070368 /nfs/dbraw/zinc/07/03/68/1128070368.db2.gz BLMMMZXKTCHWJA-IRXDYDNUSA-N 2 1 266.473 3.619 20 0 CHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000173388866 1128087952 /nfs/dbraw/zinc/08/79/52/1128087952.db2.gz JGDXCOWLJNLWDC-UONOGXRCSA-N 2 1 296.405 3.736 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000173388866 1128087956 /nfs/dbraw/zinc/08/79/56/1128087956.db2.gz JGDXCOWLJNLWDC-UONOGXRCSA-N 2 1 296.405 3.736 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1coc2ccccc12 ZINC000925138742 1128122988 /nfs/dbraw/zinc/12/29/88/1128122988.db2.gz DGTHOVNOEMHOMP-HZSPNIEDSA-N 2 1 272.392 3.566 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1coc2ccccc12 ZINC000925138742 1128122989 /nfs/dbraw/zinc/12/29/89/1128122989.db2.gz DGTHOVNOEMHOMP-HZSPNIEDSA-N 2 1 272.392 3.566 20 0 CHADMP CC(C)CC[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000252173074 1128127383 /nfs/dbraw/zinc/12/73/83/1128127383.db2.gz OJFUJKXEAOUBNN-HZPDHXFCSA-N 2 1 254.462 3.665 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCC[C@@H]2C)C[C@@H]1C ZINC000542464675 1128129907 /nfs/dbraw/zinc/12/99/07/1128129907.db2.gz FLSNIBSYHLKCOR-QAETUUGQSA-N 2 1 266.473 3.617 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCC[C@@H]2C)C[C@@H]1C ZINC000542464675 1128129910 /nfs/dbraw/zinc/12/99/10/1128129910.db2.gz FLSNIBSYHLKCOR-QAETUUGQSA-N 2 1 266.473 3.617 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCC[C@@H]2C)C[C@@H]1C ZINC000542464675 1128129912 /nfs/dbraw/zinc/12/99/12/1128129912.db2.gz FLSNIBSYHLKCOR-QAETUUGQSA-N 2 1 266.473 3.617 20 0 CHADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2coc3ccccc32)CC1 ZINC000925303000 1128128048 /nfs/dbraw/zinc/12/80/48/1128128048.db2.gz KUVHDRKGVRKCGA-AWEZNQCLSA-N 2 1 286.419 3.956 20 0 CHADMP CC1(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC(F)(F)C1 ZINC000925732750 1128139246 /nfs/dbraw/zinc/13/92/46/1128139246.db2.gz CSRXOCRJFYUCNR-GJZGRUSLSA-N 2 1 294.389 3.505 20 0 CHADMP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1nc(-c2ccccc2)cs1 ZINC000925742860 1128140407 /nfs/dbraw/zinc/14/04/07/1128140407.db2.gz YBWCCVIHWAELQC-GFCCVEGCSA-N 2 1 289.448 3.588 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCCCC2)C[C@@H](C)C1 ZINC000252193086 1128163322 /nfs/dbraw/zinc/16/33/22/1128163322.db2.gz VENDWOLTKMHXLV-ZSHCYNCHSA-N 2 1 266.473 3.665 20 0 CHADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(-c3cccs3)s2)CC1 ZINC001205101684 1128165618 /nfs/dbraw/zinc/16/56/18/1128165618.db2.gz JACUYDCCIHDRAS-LBPRGKRZSA-N 2 1 292.473 3.790 20 0 CHADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1coc2ccccc12 ZINC000926561029 1128180512 /nfs/dbraw/zinc/18/05/12/1128180512.db2.gz WOPXPYQCRMMCLD-AWEZNQCLSA-N 2 1 286.419 3.958 20 0 CHADMP CCCC1CCC(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)CC1 ZINC000495108008 1128232700 /nfs/dbraw/zinc/23/27/00/1128232700.db2.gz KIPMINBDLMYIRF-FOIPXRHGSA-N 2 1 278.484 3.619 20 0 CHADMP CCCC1CCC(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)CC1 ZINC000495108008 1128232703 /nfs/dbraw/zinc/23/27/03/1128232703.db2.gz KIPMINBDLMYIRF-FOIPXRHGSA-N 2 1 278.484 3.619 20 0 CHADMP CCCC1CCC(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000495108008 1128232708 /nfs/dbraw/zinc/23/27/08/1128232708.db2.gz KIPMINBDLMYIRF-FOIPXRHGSA-N 2 1 278.484 3.619 20 0 CHADMP CCCC1CCC(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000495108008 1128232712 /nfs/dbraw/zinc/23/27/12/1128232712.db2.gz KIPMINBDLMYIRF-FOIPXRHGSA-N 2 1 278.484 3.619 20 0 CHADMP CCC[C@H](C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21)c1ccccc1 ZINC000495127079 1128235365 /nfs/dbraw/zinc/23/53/65/1128235365.db2.gz KPWUJNBDLWYHLV-OTWHNJEPSA-N 2 1 286.463 3.596 20 0 CHADMP CCC[C@H](C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21)c1ccccc1 ZINC000495127079 1128235368 /nfs/dbraw/zinc/23/53/68/1128235368.db2.gz KPWUJNBDLWYHLV-OTWHNJEPSA-N 2 1 286.463 3.596 20 0 CHADMP CCC[C@H](C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21)c1ccccc1 ZINC000495127079 1128235370 /nfs/dbraw/zinc/23/53/70/1128235370.db2.gz KPWUJNBDLWYHLV-OTWHNJEPSA-N 2 1 286.463 3.596 20 0 CHADMP CCC[C@H](C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)c1ccccc1 ZINC000495127079 1128235373 /nfs/dbraw/zinc/23/53/73/1128235373.db2.gz KPWUJNBDLWYHLV-OTWHNJEPSA-N 2 1 286.463 3.596 20 0 CHADMP CC[C@H]1c2ccccc2CC[N@@H+]1Cc1[nH]c(C)nc1C ZINC000929651170 1128280751 /nfs/dbraw/zinc/28/07/51/1128280751.db2.gz TXKPEUGVFWNDCV-KRWDZBQOSA-N 2 1 269.392 3.536 20 0 CHADMP CCCCCC[C@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000699646786 1128308359 /nfs/dbraw/zinc/30/83/59/1128308359.db2.gz PSDSZFBVSXNESM-AWEZNQCLSA-N 2 1 251.418 3.530 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3)cc2)CC[N@H+]1C ZINC000316592444 1128335077 /nfs/dbraw/zinc/33/50/77/1128335077.db2.gz FXYOPJIZRFFYQL-JXFKEZNVSA-N 2 1 294.442 3.926 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC[N@H+]1C ZINC000316741943 1128335590 /nfs/dbraw/zinc/33/55/90/1128335590.db2.gz IARUVLWFJKZXKS-HBUWYVDXSA-N 2 1 297.446 3.618 20 0 CHADMP CCCC[C@@H](CC)[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001257425501 1128358394 /nfs/dbraw/zinc/35/83/94/1128358394.db2.gz SKPALWRSRVDDJY-MRXNPFEDSA-N 2 1 296.499 3.530 20 0 CHADMP C[N@H+]1CCC[C@H]1CCN1CC(C)(C)[C@@H]1c1cccs1 ZINC000561961428 1128366188 /nfs/dbraw/zinc/36/61/88/1128366188.db2.gz JRQMAHVLRGYSTL-ZFWWWQNUSA-N 2 1 278.465 3.615 20 0 CHADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000561961428 1128366192 /nfs/dbraw/zinc/36/61/92/1128366192.db2.gz JRQMAHVLRGYSTL-ZFWWWQNUSA-N 2 1 278.465 3.615 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000561961428 1128366197 /nfs/dbraw/zinc/36/61/97/1128366197.db2.gz JRQMAHVLRGYSTL-ZFWWWQNUSA-N 2 1 278.465 3.615 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000561961428 1128366201 /nfs/dbraw/zinc/36/62/01/1128366201.db2.gz JRQMAHVLRGYSTL-ZFWWWQNUSA-N 2 1 278.465 3.615 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000561961428 1128366205 /nfs/dbraw/zinc/36/62/05/1128366205.db2.gz JRQMAHVLRGYSTL-ZFWWWQNUSA-N 2 1 278.465 3.615 20 0 CHADMP C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000561983821 1128368017 /nfs/dbraw/zinc/36/80/17/1128368017.db2.gz UNTZMAROSNADGR-MAUKXSAKSA-N 2 1 298.430 3.719 20 0 CHADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(-c2ccccc2)o1 ZINC000561983821 1128368029 /nfs/dbraw/zinc/36/80/29/1128368029.db2.gz UNTZMAROSNADGR-MAUKXSAKSA-N 2 1 298.430 3.719 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(-c2ccccc2)o1 ZINC000561983821 1128368034 /nfs/dbraw/zinc/36/80/34/1128368034.db2.gz UNTZMAROSNADGR-MAUKXSAKSA-N 2 1 298.430 3.719 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000561983821 1128368039 /nfs/dbraw/zinc/36/80/39/1128368039.db2.gz UNTZMAROSNADGR-MAUKXSAKSA-N 2 1 298.430 3.719 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000561983821 1128368044 /nfs/dbraw/zinc/36/80/44/1128368044.db2.gz UNTZMAROSNADGR-MAUKXSAKSA-N 2 1 298.430 3.719 20 0 CHADMP CC[N@@H+](CC[C@H]1CCCC[NH2+]1)Cc1ccc(Cl)cc1 ZINC001235962006 1128416429 /nfs/dbraw/zinc/41/64/29/1128416429.db2.gz IFLDRVOVPMPGET-MRXNPFEDSA-N 2 1 280.843 3.694 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CC34CCCCC4)CC2)cc1 ZINC000387357422 1128393862 /nfs/dbraw/zinc/39/38/62/1128393862.db2.gz WABZKFXBYNEYJB-LJQANCHMSA-N 2 1 298.474 3.963 20 0 CHADMP CC(C)[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398142804 1128393880 /nfs/dbraw/zinc/39/38/80/1128393880.db2.gz WTDDRBWIQTWICP-AOIWGVFYSA-N 2 1 288.479 3.779 20 0 CHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(C)(C)C1 ZINC000398170042 1128393896 /nfs/dbraw/zinc/39/38/96/1128393896.db2.gz ULIDTNPZZUGKDV-MAUKXSAKSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(C)(C)C1 ZINC000398170042 1128393898 /nfs/dbraw/zinc/39/38/98/1128393898.db2.gz ULIDTNPZZUGKDV-MAUKXSAKSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3ccccc3c2)CCN1C ZINC000123342684 1128410598 /nfs/dbraw/zinc/41/05/98/1128410598.db2.gz VDUVNDUAWYGGFI-DNVCBOLYSA-N 2 1 282.431 3.754 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3ccccc3c2)CC[N@@H+]1C ZINC000123342684 1128410599 /nfs/dbraw/zinc/41/05/99/1128410599.db2.gz VDUVNDUAWYGGFI-DNVCBOLYSA-N 2 1 282.431 3.754 20 0 CHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3ccccc3c2)CC[NH+]1C ZINC000123342684 1128410604 /nfs/dbraw/zinc/41/06/04/1128410604.db2.gz VDUVNDUAWYGGFI-DNVCBOLYSA-N 2 1 282.431 3.754 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798957016 1128421450 /nfs/dbraw/zinc/42/14/50/1128421450.db2.gz IMPDUKWKURTQHO-ZWKOTPCHSA-N 2 1 290.495 3.787 20 0 CHADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000037197126 1128421870 /nfs/dbraw/zinc/42/18/70/1128421870.db2.gz NLFIGPUQQGATNO-CQSZACIVSA-N 2 1 288.435 3.980 20 0 CHADMP CCc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000798956899 1128423168 /nfs/dbraw/zinc/42/31/68/1128423168.db2.gz HBUHHJFWVQUZDC-UHFFFAOYSA-N 2 1 286.463 3.557 20 0 CHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc4ccccc4o3)C2)CC1 ZINC000798956876 1128423597 /nfs/dbraw/zinc/42/35/97/1128423597.db2.gz GLKPYACEKWPNKD-UHFFFAOYSA-N 2 1 298.430 3.741 20 0 CHADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccccc1Cl ZINC000062078044 1128435912 /nfs/dbraw/zinc/43/59/12/1128435912.db2.gz DNFCWWHPNCRSSS-UONOGXRCSA-N 2 1 280.843 3.723 20 0 CHADMP C[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)C1 ZINC000037860329 1128436140 /nfs/dbraw/zinc/43/61/40/1128436140.db2.gz XZKNSAMXOHTQLX-HZPDHXFCSA-N 2 1 266.473 3.809 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)c(C)cc2C)CC1 ZINC000038098001 1128437961 /nfs/dbraw/zinc/43/79/61/1128437961.db2.gz LYUBLIWRHOGNOP-INIZCTEOSA-N 2 1 274.452 3.747 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000038098168 1128438274 /nfs/dbraw/zinc/43/82/74/1128438274.db2.gz DFOJIQRVOUYINT-RBUKOAKNSA-N 2 1 286.463 3.787 20 0 CHADMP CCC[C@H](C)CC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001257463114 1128442608 /nfs/dbraw/zinc/44/26/08/1128442608.db2.gz JFKQEKQJTYIWRQ-XHSDSOJGSA-N 2 1 254.462 3.523 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1cccc(Cl)c1 ZINC000125455841 1128449602 /nfs/dbraw/zinc/44/96/02/1128449602.db2.gz ZSTOJPLTQCUNAF-UHFFFAOYSA-N 2 1 291.826 3.757 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1cccc(Cl)c1 ZINC000125455841 1128449605 /nfs/dbraw/zinc/44/96/05/1128449605.db2.gz ZSTOJPLTQCUNAF-UHFFFAOYSA-N 2 1 291.826 3.757 20 0 CHADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1CC1 ZINC000125182725 1128448104 /nfs/dbraw/zinc/44/81/04/1128448104.db2.gz QSPJXRLLKBMZOT-KXBFYZLASA-N 2 1 286.463 3.990 20 0 CHADMP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000125752707 1128452804 /nfs/dbraw/zinc/45/28/04/1128452804.db2.gz LDRFNBYFVLPZLI-APWZRJJASA-N 2 1 286.463 3.692 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2c3ccccc3C[C@H]2C)C1 ZINC000125814180 1128454151 /nfs/dbraw/zinc/45/41/51/1128454151.db2.gz PMMKVJYJQKVAGS-GJYPPUQNSA-N 2 1 286.463 3.630 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)CC2 ZINC000125909375 1128456529 /nfs/dbraw/zinc/45/65/29/1128456529.db2.gz GAOZNJKUVURGDN-VQIMIIECSA-N 2 1 286.463 3.692 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000126464614 1128464070 /nfs/dbraw/zinc/46/40/70/1128464070.db2.gz NCPKRUJIJSRFHA-KBXCAEBGSA-N 2 1 272.436 3.699 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CC[N@@H+]1C ZINC000127176203 1128473373 /nfs/dbraw/zinc/47/33/73/1128473373.db2.gz FYEBLLOTCGZMEA-LVQVYYBASA-N 2 1 266.473 3.664 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CC[N@H+]1C ZINC000127176203 1128473376 /nfs/dbraw/zinc/47/33/76/1128473376.db2.gz FYEBLLOTCGZMEA-LVQVYYBASA-N 2 1 266.473 3.664 20 0 CHADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)CCCC1CCCCC1 ZINC000563776647 1128478782 /nfs/dbraw/zinc/47/87/82/1128478782.db2.gz DPEYFASVHQRRFY-DOTOQJQBSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CCCC1CCCCC1 ZINC000563776647 1128478784 /nfs/dbraw/zinc/47/87/84/1128478784.db2.gz DPEYFASVHQRRFY-DOTOQJQBSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)CCCC1CCCCC1 ZINC000563776647 1128478787 /nfs/dbraw/zinc/47/87/87/1128478787.db2.gz DPEYFASVHQRRFY-DOTOQJQBSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CCCC1CCCCC1 ZINC000563776647 1128478789 /nfs/dbraw/zinc/47/87/89/1128478789.db2.gz DPEYFASVHQRRFY-DOTOQJQBSA-N 2 1 266.473 3.619 20 0 CHADMP CC1=C[C@@H](C)C[C@@H](C[N@H+]2CCCC23CC[NH+](C)CC3)C1 ZINC000565140317 1128520503 /nfs/dbraw/zinc/52/05/03/1128520503.db2.gz LIZCCAWBCBUXHL-NVXWUHKLSA-N 2 1 276.468 3.539 20 0 CHADMP CC1=C[C@H](C)C[C@H](C[N@H+]2CCCC23CC[NH+](C)CC3)C1 ZINC000565140318 1128520835 /nfs/dbraw/zinc/52/08/35/1128520835.db2.gz LIZCCAWBCBUXHL-RDJZCZTQSA-N 2 1 276.468 3.539 20 0 CHADMP CC1=C[C@H](C)C[C@@H](C[N@H+]2CCCC23CC[NH+](C)CC3)C1 ZINC000565140316 1128521082 /nfs/dbraw/zinc/52/10/82/1128521082.db2.gz LIZCCAWBCBUXHL-DOTOQJQBSA-N 2 1 276.468 3.539 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]CC(C2CC2)C2CC2)C[C@@H]1c1ccccc1 ZINC000556093369 1128545658 /nfs/dbraw/zinc/54/56/58/1128545658.db2.gz JNIFXJWIMOEKQY-UYAOXDASSA-N 2 1 298.474 3.848 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CC(C2CC2)C2CC2)C[C@@H]1c1ccccc1 ZINC000556093369 1128545661 /nfs/dbraw/zinc/54/56/61/1128545661.db2.gz JNIFXJWIMOEKQY-UYAOXDASSA-N 2 1 298.474 3.848 20 0 CHADMP CC(C)=CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000567281243 1128561152 /nfs/dbraw/zinc/56/11/52/1128561152.db2.gz OELNHRXQPZJJKP-ZWKOTPCHSA-N 2 1 272.436 3.768 20 0 CHADMP CC(C)=CCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000567281243 1128561155 /nfs/dbraw/zinc/56/11/55/1128561155.db2.gz OELNHRXQPZJJKP-ZWKOTPCHSA-N 2 1 272.436 3.768 20 0 CHADMP Cc1cccc2c1cc[nH+]c2NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000566911885 1128554507 /nfs/dbraw/zinc/55/45/07/1128554507.db2.gz RDALUPUTEKKOEK-HNNXBMFYSA-N 2 1 283.419 3.685 20 0 CHADMP Cc1cccc2c1cc[nH+]c2NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000566911885 1128554508 /nfs/dbraw/zinc/55/45/08/1128554508.db2.gz RDALUPUTEKKOEK-HNNXBMFYSA-N 2 1 283.419 3.685 20 0 CHADMP Clc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130230588 1128574302 /nfs/dbraw/zinc/57/43/02/1128574302.db2.gz AECZTRLHCMCOFI-BFYDXBDKSA-N 2 1 290.838 3.544 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000568116764 1128578141 /nfs/dbraw/zinc/57/81/41/1128578141.db2.gz MEAJEBGXXDKACC-WBOJAVRRSA-N 2 1 292.854 3.516 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000568116764 1128578145 /nfs/dbraw/zinc/57/81/45/1128578145.db2.gz MEAJEBGXXDKACC-WBOJAVRRSA-N 2 1 292.854 3.516 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@H]2C2CC2)c1 ZINC000568080228 1128578156 /nfs/dbraw/zinc/57/81/56/1128578156.db2.gz UXKPICIKNJPXOK-RBUKOAKNSA-N 2 1 286.463 3.805 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CCCc1c[nH+]cn1C ZINC000568178401 1128579698 /nfs/dbraw/zinc/57/96/98/1128579698.db2.gz NUGARVZCSTZHOI-MDZRGWNJSA-N 2 1 297.446 3.619 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1CCCc1c[nH+]cn1C ZINC000568178401 1128579700 /nfs/dbraw/zinc/57/97/00/1128579700.db2.gz NUGARVZCSTZHOI-MDZRGWNJSA-N 2 1 297.446 3.619 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)C1CCCCC1 ZINC000130342436 1128580368 /nfs/dbraw/zinc/58/03/68/1128580368.db2.gz PXHOCDZPBORMQC-YESZJQIVSA-N 2 1 264.457 3.562 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)C1CCCCC1 ZINC000130342436 1128580371 /nfs/dbraw/zinc/58/03/71/1128580371.db2.gz PXHOCDZPBORMQC-YESZJQIVSA-N 2 1 264.457 3.562 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC2CC(c3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000568542899 1128586797 /nfs/dbraw/zinc/58/67/97/1128586797.db2.gz KVLTUITWCAKMIG-GETYWBHSSA-N 2 1 298.474 3.643 20 0 CHADMP C[C@@H]1C[C@H](N[C@@H]2C[C@H](C)Sc3sccc32)CC[N@H+]1C ZINC000130602186 1128588525 /nfs/dbraw/zinc/58/85/25/1128588525.db2.gz ALAWLRDDXMDGNT-GFQSEFKGSA-N 2 1 296.505 3.746 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)Sc3sccc32)CCN1C ZINC000130602186 1128588528 /nfs/dbraw/zinc/58/85/28/1128588528.db2.gz ALAWLRDDXMDGNT-GFQSEFKGSA-N 2 1 296.505 3.746 20 0 CHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000569230061 1128601962 /nfs/dbraw/zinc/60/19/62/1128601962.db2.gz OATCLISOQASWKA-WOJBJXKFSA-N 2 1 294.442 3.920 20 0 CHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000569230061 1128601965 /nfs/dbraw/zinc/60/19/65/1128601965.db2.gz OATCLISOQASWKA-WOJBJXKFSA-N 2 1 294.442 3.920 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCC2)[C@H]2CCCSC2)CC1 ZINC001257665892 1128624744 /nfs/dbraw/zinc/62/47/44/1128624744.db2.gz HJENRRFMBQQXHW-ULQDDVLXSA-N 2 1 296.524 3.644 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@@H+](C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236221970 1128624887 /nfs/dbraw/zinc/62/48/87/1128624887.db2.gz INVQZVGEOYHQKK-JYJNAYRXSA-N 2 1 252.446 3.571 20 0 CHADMP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718597 1128629858 /nfs/dbraw/zinc/62/98/58/1128629858.db2.gz AEQIYDFIRONYDC-JKSUJKDBSA-N 2 1 290.426 3.695 20 0 CHADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718597 1128629863 /nfs/dbraw/zinc/62/98/63/1128629863.db2.gz AEQIYDFIRONYDC-JKSUJKDBSA-N 2 1 290.426 3.695 20 0 CHADMP c1ccc(C2CCC(C[N@H+]3C[C@@H]4CCC[NH2+][C@@H]4C3)CC2)cc1 ZINC000570858573 1128633297 /nfs/dbraw/zinc/63/32/97/1128633297.db2.gz CZCJSZZMEIWVIL-DXBWTPJFSA-N 2 1 298.474 3.644 20 0 CHADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000556885316 1128633728 /nfs/dbraw/zinc/63/37/28/1128633728.db2.gz FKXASQJZBMTZFK-BRWVUGGUSA-N 2 1 284.463 3.615 20 0 CHADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000556885316 1128633731 /nfs/dbraw/zinc/63/37/31/1128633731.db2.gz FKXASQJZBMTZFK-BRWVUGGUSA-N 2 1 284.463 3.615 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(C)C)cc2)C1 ZINC000072859128 1128634508 /nfs/dbraw/zinc/63/45/08/1128634508.db2.gz NIRFIRUQONXIGE-KRWDZBQOSA-N 2 1 274.452 3.584 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(C)C)cc2)C1 ZINC000072859128 1128634509 /nfs/dbraw/zinc/63/45/09/1128634509.db2.gz NIRFIRUQONXIGE-KRWDZBQOSA-N 2 1 274.452 3.584 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2)C1 ZINC000072859128 1128634512 /nfs/dbraw/zinc/63/45/12/1128634512.db2.gz NIRFIRUQONXIGE-KRWDZBQOSA-N 2 1 274.452 3.584 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CCC2=CCCCCC2)[C@H]2CCC[C@H]21 ZINC000556892944 1128635236 /nfs/dbraw/zinc/63/52/36/1128635236.db2.gz QLKRTSLOHFASGO-FGTMMUONSA-N 2 1 276.468 3.729 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCC(C)C)C2)s1 ZINC000572079770 1128641374 /nfs/dbraw/zinc/64/13/74/1128641374.db2.gz QCAYPUFYVPSQED-MRXNPFEDSA-N 2 1 294.508 3.856 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCC(C)C)C2)s1 ZINC000572079770 1128641377 /nfs/dbraw/zinc/64/13/77/1128641377.db2.gz QCAYPUFYVPSQED-MRXNPFEDSA-N 2 1 294.508 3.856 20 0 CHADMP C[NH+]1CCC([NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)CC1 ZINC000132228381 1128645824 /nfs/dbraw/zinc/64/58/24/1128645824.db2.gz NLNHRDNSEVEFRF-QGZVFWFLSA-N 2 1 292.854 3.865 20 0 CHADMP CSc1ccccc1C[C@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000577786983 1128689248 /nfs/dbraw/zinc/68/92/48/1128689248.db2.gz WBQFHDBWJWCUML-GJZGRUSLSA-N 2 1 294.508 3.658 20 0 CHADMP CSc1ccccc1C[C@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000577786983 1128689250 /nfs/dbraw/zinc/68/92/50/1128689250.db2.gz WBQFHDBWJWCUML-GJZGRUSLSA-N 2 1 294.508 3.658 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000578650183 1128725368 /nfs/dbraw/zinc/72/53/68/1128725368.db2.gz GSZOFDCRRDRDQM-DLBZAZTESA-N 2 1 278.484 3.811 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482479 1117757973 /nfs/dbraw/zinc/75/79/73/1117757973.db2.gz IRQHQKDLELNYJT-UHFFFAOYSA-N 2 1 292.854 3.673 20 0 CHADMP CCC[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000187689057 1117759831 /nfs/dbraw/zinc/75/98/31/1117759831.db2.gz KSBDOPCSOLVTRR-AEFFLSMTSA-N 2 1 274.452 3.629 20 0 CHADMP CCC[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000187689057 1117759835 /nfs/dbraw/zinc/75/98/35/1117759835.db2.gz KSBDOPCSOLVTRR-AEFFLSMTSA-N 2 1 274.452 3.629 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(SC)s2)[C@H](C)C1 ZINC000578965645 1128734633 /nfs/dbraw/zinc/73/46/33/1128734633.db2.gz QOABLOPQDYFPJJ-OCCSQVGLSA-N 2 1 298.521 3.632 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(SC)s2)[C@H](C)C1 ZINC000578965645 1128734636 /nfs/dbraw/zinc/73/46/36/1128734636.db2.gz QOABLOPQDYFPJJ-OCCSQVGLSA-N 2 1 298.521 3.632 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(SC)s2)[C@H](C)C1 ZINC000578965645 1128734640 /nfs/dbraw/zinc/73/46/40/1128734640.db2.gz QOABLOPQDYFPJJ-OCCSQVGLSA-N 2 1 298.521 3.632 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(SC)s2)[C@H](C)C1 ZINC000578965645 1128734644 /nfs/dbraw/zinc/73/46/44/1128734644.db2.gz QOABLOPQDYFPJJ-OCCSQVGLSA-N 2 1 298.521 3.632 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000034996406 1117789954 /nfs/dbraw/zinc/78/99/54/1117789954.db2.gz LMFLYUIPPOBKKI-CVEARBPZSA-N 2 1 266.473 3.665 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000034996403 1117790214 /nfs/dbraw/zinc/79/02/14/1117790214.db2.gz LMFLYUIPPOBKKI-JKSUJKDBSA-N 2 1 266.473 3.665 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cc1F ZINC000643546158 1117792084 /nfs/dbraw/zinc/79/20/84/1117792084.db2.gz JUFCEHIEFCDDNE-BBRMVZONSA-N 2 1 294.389 3.680 20 0 CHADMP C[N@H+]1CCC[C@@]2(CC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC000339440072 1117793880 /nfs/dbraw/zinc/79/38/80/1117793880.db2.gz WKMJFDBEFDPPEI-GOSISDBHSA-N 2 1 278.484 3.621 20 0 CHADMP C[NH+]1CCC[C@@]2(CC[N@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC000339440072 1117793882 /nfs/dbraw/zinc/79/38/82/1117793882.db2.gz WKMJFDBEFDPPEI-GOSISDBHSA-N 2 1 278.484 3.621 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1F ZINC000643548616 1117800362 /nfs/dbraw/zinc/80/03/62/1117800362.db2.gz RYWAODRKCNPACT-CJNGLKHVSA-N 2 1 276.399 3.541 20 0 CHADMP CC(C)[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623343152 1117836440 /nfs/dbraw/zinc/83/64/40/1117836440.db2.gz CGYUYQKRFFTBMS-DLBZAZTESA-N 2 1 274.452 3.846 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@H](c2cccs2)C2CC2)CC1(C)C ZINC000623345210 1117836756 /nfs/dbraw/zinc/83/67/56/1117836756.db2.gz WFGYCVLEQSXIGU-ZFWWWQNUSA-N 2 1 278.465 3.662 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@H](c2cccs2)C2CC2)CC1(C)C ZINC000623345210 1117836764 /nfs/dbraw/zinc/83/67/64/1117836764.db2.gz WFGYCVLEQSXIGU-ZFWWWQNUSA-N 2 1 278.465 3.662 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCCc3ccccc32)CC1(C)C ZINC000623346526 1117837493 /nfs/dbraw/zinc/83/74/93/1117837493.db2.gz UXJFWCBTNNQCPN-IAGOWNOFSA-N 2 1 286.463 3.569 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H](c2ccccc2)C2CC2)CC1(C)C ZINC000623344914 1117837866 /nfs/dbraw/zinc/83/78/66/1117837866.db2.gz IFWAWAZDODBSLU-IRXDYDNUSA-N 2 1 272.436 3.600 20 0 CHADMP CCOc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623384259 1117847343 /nfs/dbraw/zinc/84/73/43/1117847343.db2.gz UMPSILJXZTWFHR-GOEBONIOSA-N 2 1 290.451 3.609 20 0 CHADMP C[C@@H](CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623387780 1117848627 /nfs/dbraw/zinc/84/86/27/1117848627.db2.gz VSBFYFZERNZKSV-DOTOQJQBSA-N 2 1 274.452 3.643 20 0 CHADMP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1C ZINC000623420815 1117853929 /nfs/dbraw/zinc/85/39/29/1117853929.db2.gz PGELICKWPCGAII-HOTGVXAUSA-N 2 1 274.452 3.827 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]C2(c3cccc(Cl)c3)CC2)CC1(C)C ZINC000623428450 1117856009 /nfs/dbraw/zinc/85/60/09/1117856009.db2.gz LBISNOZOONKBLJ-OAHLLOKOSA-N 2 1 292.854 3.792 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]C2(c3cccc(Cl)c3)CC2)CC1(C)C ZINC000623428450 1117856014 /nfs/dbraw/zinc/85/60/14/1117856014.db2.gz LBISNOZOONKBLJ-OAHLLOKOSA-N 2 1 292.854 3.792 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)CC1(C)C ZINC000623493686 1117861969 /nfs/dbraw/zinc/86/19/69/1117861969.db2.gz OFQUDCKORXOVPK-CQSZACIVSA-N 2 1 282.378 3.587 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)CC1(C)C ZINC000623493686 1117861972 /nfs/dbraw/zinc/86/19/72/1117861972.db2.gz OFQUDCKORXOVPK-CQSZACIVSA-N 2 1 282.378 3.587 20 0 CHADMP Cc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623494547 1117862026 /nfs/dbraw/zinc/86/20/26/1117862026.db2.gz UKBQGFDWLZUAEA-CQSZACIVSA-N 2 1 286.419 3.704 20 0 CHADMP Cc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623494547 1117862029 /nfs/dbraw/zinc/86/20/29/1117862029.db2.gz UKBQGFDWLZUAEA-CQSZACIVSA-N 2 1 286.419 3.704 20 0 CHADMP C[N@H+]1CC[C@@H](NCc2ccc(C(C)(F)F)cc2)CC1(C)C ZINC000623532354 1117869026 /nfs/dbraw/zinc/86/90/26/1117869026.db2.gz OHSONNSFCZEHAB-OAHLLOKOSA-N 2 1 296.405 3.761 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C(C)(F)F)cc2)CC1(C)C ZINC000623532354 1117869029 /nfs/dbraw/zinc/86/90/29/1117869029.db2.gz OHSONNSFCZEHAB-OAHLLOKOSA-N 2 1 296.405 3.761 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000623657059 1117885021 /nfs/dbraw/zinc/88/50/21/1117885021.db2.gz IZWVFUJEYCZIKE-KBPBESRZSA-N 2 1 280.843 3.723 20 0 CHADMP CC[N@H+](CCC[NH2+][C@H](C)c1ccncc1)C1CCCCC1 ZINC000650131607 1117896682 /nfs/dbraw/zinc/89/66/82/1117896682.db2.gz USOAGWIOCOITHV-MRXNPFEDSA-N 2 1 289.467 3.777 20 0 CHADMP CC[N@@H+](CCC[NH2+][C@H](C)c1ccncc1)C1CCCCC1 ZINC000650131607 1117896684 /nfs/dbraw/zinc/89/66/84/1117896684.db2.gz USOAGWIOCOITHV-MRXNPFEDSA-N 2 1 289.467 3.777 20 0 CHADMP CC(C)Oc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000179535535 1117907818 /nfs/dbraw/zinc/90/78/18/1117907818.db2.gz YINPIIHMLYDOKZ-WBVHZDCISA-N 2 1 290.451 3.609 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]C(C)(C)c1cccc(C)c1 ZINC000179584756 1117908175 /nfs/dbraw/zinc/90/81/75/1117908175.db2.gz UHCMSGAGRLNFDL-UHFFFAOYSA-N 2 1 285.435 3.805 20 0 CHADMP CC/C=C\CC[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001208729312 1117920479 /nfs/dbraw/zinc/92/04/79/1117920479.db2.gz SMNOEDAGSKDWDJ-CWIOURORSA-N 2 1 264.457 3.683 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc2ccccc2c1 ZINC000237584026 1128744285 /nfs/dbraw/zinc/74/42/85/1128744285.db2.gz LFHJTFJYOBAUNA-OAHLLOKOSA-N 2 1 293.414 3.771 20 0 CHADMP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662311765 1117928118 /nfs/dbraw/zinc/92/81/18/1117928118.db2.gz DUUIYIZAWOZCKL-HZSPNIEDSA-N 2 1 276.415 3.507 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(C)ccc1C ZINC000623861304 1117945233 /nfs/dbraw/zinc/94/52/33/1117945233.db2.gz URVRMGLAJIMFSI-VQIMIIECSA-N 2 1 286.463 3.828 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1cccc(C)c1)C(C)C ZINC000623867507 1117945947 /nfs/dbraw/zinc/94/59/47/1117945947.db2.gz BIKXALKLDLBKGL-GOSISDBHSA-N 2 1 285.435 3.877 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000624119845 1117983696 /nfs/dbraw/zinc/98/36/96/1117983696.db2.gz KVUBKYNHKHFSEE-KGLIPLIRSA-N 2 1 280.843 3.723 20 0 CHADMP Cc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624120854 1117985128 /nfs/dbraw/zinc/98/51/28/1117985128.db2.gz IMCATEHOGOLJDT-IEBWSBKVSA-N 2 1 288.479 3.638 20 0 CHADMP Cc1ccc([C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C2CCC2)o1 ZINC000624121699 1117986054 /nfs/dbraw/zinc/98/60/54/1117986054.db2.gz BFIQCGFOXLKUAK-CRAIPNDOSA-N 2 1 290.451 3.751 20 0 CHADMP Cc1ccc([C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)C2CCC2)o1 ZINC000624121699 1117986057 /nfs/dbraw/zinc/98/60/57/1117986057.db2.gz BFIQCGFOXLKUAK-CRAIPNDOSA-N 2 1 290.451 3.751 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1nccc2ccccc21 ZINC000624123569 1117987317 /nfs/dbraw/zinc/98/73/17/1117987317.db2.gz OGXPHMDXKJZKOF-HZPDHXFCSA-N 2 1 297.446 3.617 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1nccc2ccccc21 ZINC000624123569 1117987322 /nfs/dbraw/zinc/98/73/22/1117987322.db2.gz OGXPHMDXKJZKOF-HZPDHXFCSA-N 2 1 297.446 3.617 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)c2ccccc21 ZINC000624123331 1117987586 /nfs/dbraw/zinc/98/75/86/1117987586.db2.gz JYONPNPOVWKHCG-RKVPGOIHSA-N 2 1 272.436 3.556 20 0 CHADMP CC[C@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000579480497 1128749198 /nfs/dbraw/zinc/74/91/98/1128749198.db2.gz FRYHBVZUTIKICP-DZGCQCFKSA-N 2 1 280.481 3.609 20 0 CHADMP CC[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000579480497 1128749201 /nfs/dbraw/zinc/74/92/01/1128749201.db2.gz FRYHBVZUTIKICP-DZGCQCFKSA-N 2 1 280.481 3.609 20 0 CHADMP CC[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000579480497 1128749203 /nfs/dbraw/zinc/74/92/03/1128749203.db2.gz FRYHBVZUTIKICP-DZGCQCFKSA-N 2 1 280.481 3.609 20 0 CHADMP CC[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000579480497 1128749205 /nfs/dbraw/zinc/74/92/05/1128749205.db2.gz FRYHBVZUTIKICP-DZGCQCFKSA-N 2 1 280.481 3.609 20 0 CHADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CCCn1ccnc1 ZINC000182800367 1118029933 /nfs/dbraw/zinc/02/99/33/1118029933.db2.gz DZVZYFUWDZCPST-GOSISDBHSA-N 2 1 285.435 3.535 20 0 CHADMP C[N@@H+](CCCNCc1ccc(Cl)o1)C1CCCCC1 ZINC000037860314 1118041842 /nfs/dbraw/zinc/04/18/42/1118041842.db2.gz LDZLMVOJORZYOH-UHFFFAOYSA-N 2 1 284.831 3.677 20 0 CHADMP CC(C)=CCC[C@H](C)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001258085985 1128752495 /nfs/dbraw/zinc/75/24/95/1128752495.db2.gz PIGVLUMDHQWWPM-IRXDYDNUSA-N 2 1 266.473 3.962 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCC(C)(C)C)C1 ZINC000579620816 1128753297 /nfs/dbraw/zinc/75/32/97/1128753297.db2.gz CXMCFARMQMXPBY-HOTGVXAUSA-N 2 1 268.489 3.911 20 0 CHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000579614340 1128753308 /nfs/dbraw/zinc/75/33/08/1128753308.db2.gz ZYCUCASDLSFOMH-INIZCTEOSA-N 2 1 299.462 3.770 20 0 CHADMP CCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398214067 1118100131 /nfs/dbraw/zinc/10/01/31/1118100131.db2.gz UHOGVFFGNNCWHR-SJLPKXTDSA-N 2 1 274.452 3.677 20 0 CHADMP CCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398214067 1118100135 /nfs/dbraw/zinc/10/01/35/1118100135.db2.gz UHOGVFFGNNCWHR-SJLPKXTDSA-N 2 1 274.452 3.677 20 0 CHADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000579897824 1118100332 /nfs/dbraw/zinc/10/03/32/1118100332.db2.gz LVZMISUGNBJXKC-RYQLBKOJSA-N 2 1 274.452 3.641 20 0 CHADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000579897824 1118100333 /nfs/dbraw/zinc/10/03/33/1118100333.db2.gz LVZMISUGNBJXKC-RYQLBKOJSA-N 2 1 274.452 3.641 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCC12CCCC2 ZINC000340233637 1118117147 /nfs/dbraw/zinc/11/71/47/1118117147.db2.gz ZABYCVZBZDLCLI-HOCLYGCPSA-N 2 1 275.440 3.530 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC2CCCCCCC2)[C@@H](C)C1 ZINC000765238126 1118139563 /nfs/dbraw/zinc/13/95/63/1118139563.db2.gz DSANCAKLBPRZSO-RDJZCZTQSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1CCCCCC1 ZINC000237669462 1118154530 /nfs/dbraw/zinc/15/45/30/1118154530.db2.gz FWVVEIUNICSINJ-MRXNPFEDSA-N 2 1 266.473 3.953 20 0 CHADMP CC(C)CCCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250603814 1118168016 /nfs/dbraw/zinc/16/80/16/1118168016.db2.gz UPUWPTALMFMZGC-IRXDYDNUSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CS1 ZINC000655691304 1118184577 /nfs/dbraw/zinc/18/45/77/1118184577.db2.gz SQNBMPPGZFDEAK-XHSDSOJGSA-N 2 1 284.513 3.515 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c(Cl)cccc32)CC[N@@H+]1C ZINC000542662798 1118194826 /nfs/dbraw/zinc/19/48/26/1118194826.db2.gz LLAXWOFCNRUDHE-IGCXYCKISA-N 2 1 292.854 3.790 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c(Cl)cccc32)CC[N@H+]1C ZINC000542662798 1118194829 /nfs/dbraw/zinc/19/48/29/1118194829.db2.gz LLAXWOFCNRUDHE-IGCXYCKISA-N 2 1 292.854 3.790 20 0 CHADMP C[C@@H](F)CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000340459314 1118263921 /nfs/dbraw/zinc/26/39/21/1118263921.db2.gz CWXQLIJNUOFKOZ-FAEJEUNOSA-N 2 1 292.442 3.767 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2SC)CC1 ZINC000282167507 1118272527 /nfs/dbraw/zinc/27/25/27/1118272527.db2.gz DSOMTSKLQKOXAI-AWEZNQCLSA-N 2 1 292.492 3.934 20 0 CHADMP C/C(=C/c1ccccc1)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000255063445 1118280456 /nfs/dbraw/zinc/28/04/56/1118280456.db2.gz ZEEMMCULJYRGNV-JQUKHEMZSA-N 2 1 272.436 3.504 20 0 CHADMP C/C(=C/c1ccccc1)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000255063445 1118280460 /nfs/dbraw/zinc/28/04/60/1118280460.db2.gz ZEEMMCULJYRGNV-JQUKHEMZSA-N 2 1 272.436 3.504 20 0 CHADMP C/C(=C/c1ccccc1)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000255063445 1118280463 /nfs/dbraw/zinc/28/04/63/1118280463.db2.gz ZEEMMCULJYRGNV-JQUKHEMZSA-N 2 1 272.436 3.504 20 0 CHADMP C/C(=C/c1ccccc1)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000255063445 1118280466 /nfs/dbraw/zinc/28/04/66/1118280466.db2.gz ZEEMMCULJYRGNV-JQUKHEMZSA-N 2 1 272.436 3.504 20 0 CHADMP CC(C)[C@H](C[NH2+][C@H]1CCCC(C)(C)C1)[NH+]1CCCC1 ZINC000079972495 1118311557 /nfs/dbraw/zinc/31/15/57/1118311557.db2.gz SSSIZRHYTFKVQK-HOTGVXAUSA-N 2 1 266.473 3.665 20 0 CHADMP CC[C@H](C)C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001236453462 1128771395 /nfs/dbraw/zinc/77/13/95/1128771395.db2.gz ROSILYUVZDXTGI-AWEZNQCLSA-N 2 1 294.870 3.940 20 0 CHADMP CC(C)C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000086818008 1118397210 /nfs/dbraw/zinc/39/72/10/1118397210.db2.gz FTNIRVXXCOVQSP-QZTJIDSGSA-N 2 1 274.452 3.848 20 0 CHADMP C[C@@H](CC[NH2+]CC1(C)CCC1)[N@@H+](C)Cc1ccccc1 ZINC000379645664 1118420787 /nfs/dbraw/zinc/42/07/87/1118420787.db2.gz IFNAXQDNCAMCIQ-INIZCTEOSA-N 2 1 274.452 3.677 20 0 CHADMP C[C@@]1(C[NH2+][C@H]2CCCC23CC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000706528262 1118427779 /nfs/dbraw/zinc/42/77/79/1118427779.db2.gz HFPXDVYRFOYJQI-OALUTQOASA-N 2 1 298.474 3.821 20 0 CHADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1)[NH+](C)C ZINC000084982833 1118506628 /nfs/dbraw/zinc/50/66/28/1118506628.db2.gz DEERBOKTEFKDEY-ABFRBSLYSA-N 2 1 268.489 3.767 20 0 CHADMP C[C@@H](c1cccs1)[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000123935276 1118577940 /nfs/dbraw/zinc/57/79/40/1118577940.db2.gz VXMJLVMRNVMSDH-ZDUSSCGKSA-N 2 1 286.444 3.587 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000091871166 1118582471 /nfs/dbraw/zinc/58/24/71/1118582471.db2.gz NPNVHEXSWBSSCR-LMPOIIKSSA-N 2 1 266.473 3.664 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC000470013286 1118598193 /nfs/dbraw/zinc/59/81/93/1118598193.db2.gz WGHHLKWPZFBUJQ-GOSISDBHSA-N 2 1 294.442 3.785 20 0 CHADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(C2CCCC2)c1 ZINC000656784545 1118656659 /nfs/dbraw/zinc/65/66/59/1118656659.db2.gz BVTCHJFPAHJASF-RDTXWAMCSA-N 2 1 272.436 3.656 20 0 CHADMP CC(C)[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1Cl ZINC000471760792 1118719851 /nfs/dbraw/zinc/71/98/51/1118719851.db2.gz RBYLPXFRNYDAAP-INIZCTEOSA-N 2 1 291.826 3.603 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@]2(C)CCCS2)CC1 ZINC000628133858 1118727286 /nfs/dbraw/zinc/72/72/86/1118727286.db2.gz SUOOCZUFKGMRPD-QGZVFWFLSA-N 2 1 298.540 3.716 20 0 CHADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000430722602 1118765405 /nfs/dbraw/zinc/76/54/05/1118765405.db2.gz QRTDRHYQPMWSCY-WNRNVDISSA-N 2 1 280.500 3.911 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000510675961 1118786071 /nfs/dbraw/zinc/78/60/71/1118786071.db2.gz RIQMOOUYJYUFHF-NJAFHUGGSA-N 2 1 278.484 3.667 20 0 CHADMP C[N@H+](CC[NH2+]C1CCC2(CCCC2)CC1)C1CCCC1 ZINC000129390572 1118811218 /nfs/dbraw/zinc/81/12/18/1118811218.db2.gz JHYPVOGWVUCHJC-UHFFFAOYSA-N 2 1 278.484 3.953 20 0 CHADMP C[N@@H+](CC[NH2+]C1CCC2(CCCC2)CC1)C1CCCC1 ZINC000129390572 1118811222 /nfs/dbraw/zinc/81/12/22/1118811222.db2.gz JHYPVOGWVUCHJC-UHFFFAOYSA-N 2 1 278.484 3.953 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000401302385 1118850408 /nfs/dbraw/zinc/85/04/08/1118850408.db2.gz LLAOLHNHSFDNRR-VUCRHFMTSA-N 2 1 278.484 3.808 20 0 CHADMP CC[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120890 1118914045 /nfs/dbraw/zinc/91/40/45/1118914045.db2.gz LJDCOAYFLGMCOP-WBVHZDCISA-N 2 1 272.436 3.572 20 0 CHADMP CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120890 1118914047 /nfs/dbraw/zinc/91/40/47/1118914047.db2.gz LJDCOAYFLGMCOP-WBVHZDCISA-N 2 1 272.436 3.572 20 0 CHADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCC(c2ccccc2)CC1 ZINC000226436668 1118927584 /nfs/dbraw/zinc/92/75/84/1118927584.db2.gz ZHWDRPBYAZTIFR-IVMQYODDSA-N 2 1 286.463 3.644 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc3c(ccc(C)c3C)[nH]2)C1 ZINC000472056625 1118953693 /nfs/dbraw/zinc/95/36/93/1118953693.db2.gz XONYWMGWNFNDIV-INIZCTEOSA-N 2 1 299.462 3.606 20 0 CHADMP C1CC([C@@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C2CCCC2)C1 ZINC000647235528 1118957391 /nfs/dbraw/zinc/95/73/91/1118957391.db2.gz KXQOAPUVGQRXSG-KURKYZTESA-N 2 1 276.468 3.562 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1c(C)cccc1C ZINC000342480121 1119047849 /nfs/dbraw/zinc/04/78/49/1119047849.db2.gz GZEIXKGUABCDLB-OAHLLOKOSA-N 2 1 271.408 3.549 20 0 CHADMP CC1CC([N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207287352 1119059062 /nfs/dbraw/zinc/05/90/62/1119059062.db2.gz TYKPFQHCFPBUHS-UHFFFAOYSA-N 2 1 286.463 3.629 20 0 CHADMP CCC1CCC([N@H+](CCn2cc[nH+]c2C)C2CC2)CC1 ZINC000342543552 1119076012 /nfs/dbraw/zinc/07/60/12/1119076012.db2.gz JNDWMUGUHLHYPW-UHFFFAOYSA-N 2 1 275.440 3.625 20 0 CHADMP CCC1CCC([N@@H+](CCn2cc[nH+]c2C)C2CC2)CC1 ZINC000342543552 1119076016 /nfs/dbraw/zinc/07/60/16/1119076016.db2.gz JNDWMUGUHLHYPW-UHFFFAOYSA-N 2 1 275.440 3.625 20 0 CHADMP C[C@@H](C[N@H+](C)CCCc1c[nH+]cn1C)C1CCCCC1 ZINC000625987781 1119104202 /nfs/dbraw/zinc/10/42/02/1119104202.db2.gz BZYKHWKJRIQMSA-HNNXBMFYSA-N 2 1 277.456 3.501 20 0 CHADMP C[C@@H](C[N@@H+](C)CCCc1c[nH+]cn1C)C1CCCCC1 ZINC000625987781 1119104206 /nfs/dbraw/zinc/10/42/06/1119104206.db2.gz BZYKHWKJRIQMSA-HNNXBMFYSA-N 2 1 277.456 3.501 20 0 CHADMP CCCC[C@H](CCC)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC000225935134 1119109980 /nfs/dbraw/zinc/10/99/80/1119109980.db2.gz CXKVCTZJVSHVHL-HNNXBMFYSA-N 2 1 263.429 3.882 20 0 CHADMP Cc1ccc([C@H](C)C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000628183959 1128822883 /nfs/dbraw/zinc/82/28/83/1128822883.db2.gz UTJRPEMYZCWSQW-RYRKJORJSA-N 2 1 274.452 3.513 20 0 CHADMP Cc1ccc([C@H](C)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000628183959 1128822884 /nfs/dbraw/zinc/82/28/84/1128822884.db2.gz UTJRPEMYZCWSQW-RYRKJORJSA-N 2 1 274.452 3.513 20 0 CHADMP Cc1ccc([C@H](C)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000628183959 1128822889 /nfs/dbraw/zinc/82/28/89/1128822889.db2.gz UTJRPEMYZCWSQW-RYRKJORJSA-N 2 1 274.452 3.513 20 0 CHADMP Cc1ccc([C@H](C)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000628183959 1128822893 /nfs/dbraw/zinc/82/28/93/1128822893.db2.gz UTJRPEMYZCWSQW-RYRKJORJSA-N 2 1 274.452 3.513 20 0 CHADMP Cc1ccc([C@H](C)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000628183959 1128822896 /nfs/dbraw/zinc/82/28/96/1128822896.db2.gz UTJRPEMYZCWSQW-RYRKJORJSA-N 2 1 274.452 3.513 20 0 CHADMP CCc1cccc2cc(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)oc21 ZINC000657483211 1119124162 /nfs/dbraw/zinc/12/41/62/1119124162.db2.gz MGHUZJUIWLSLBF-ALOPSCKCSA-N 2 1 298.430 3.710 20 0 CHADMP CCc1cccc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)oc21 ZINC000657483211 1119124164 /nfs/dbraw/zinc/12/41/64/1119124164.db2.gz MGHUZJUIWLSLBF-ALOPSCKCSA-N 2 1 298.430 3.710 20 0 CHADMP CCc1cccc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)oc21 ZINC000657483211 1119124166 /nfs/dbraw/zinc/12/41/66/1119124166.db2.gz MGHUZJUIWLSLBF-ALOPSCKCSA-N 2 1 298.430 3.710 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CCC(C)(C)C ZINC000342735456 1119148109 /nfs/dbraw/zinc/14/81/09/1119148109.db2.gz ORXVJFNLNPZWKA-ZIAGYGMSSA-N 2 1 265.445 3.632 20 0 CHADMP C([NH2+][C@H]1CCC[C@@H](C2CC2)C1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663472153 1119157984 /nfs/dbraw/zinc/15/79/84/1119157984.db2.gz ZBZWEOLRCHMUJR-UHOSZYNNSA-N 2 1 290.495 3.667 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000342860045 1119212720 /nfs/dbraw/zinc/21/27/20/1119212720.db2.gz NCUKSHNXIOGSIN-QGZVFWFLSA-N 2 1 275.440 3.626 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000342860045 1119212723 /nfs/dbraw/zinc/21/27/23/1119212723.db2.gz NCUKSHNXIOGSIN-QGZVFWFLSA-N 2 1 275.440 3.626 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000342864752 1119216438 /nfs/dbraw/zinc/21/64/38/1119216438.db2.gz QDZYTIFWHQDQEE-IBGZPJMESA-N 2 1 297.446 3.679 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000342864752 1119216441 /nfs/dbraw/zinc/21/64/41/1119216441.db2.gz QDZYTIFWHQDQEE-IBGZPJMESA-N 2 1 297.446 3.679 20 0 CHADMP CC(C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000090955668 1119254580 /nfs/dbraw/zinc/25/45/80/1119254580.db2.gz GHDAFUMVJWEOOM-DLBZAZTESA-N 2 1 278.484 3.809 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000124770539 1119320245 /nfs/dbraw/zinc/32/02/45/1119320245.db2.gz KQJCYDULTIVNCD-UHFFFAOYSA-N 2 1 299.393 3.510 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000124770539 1119320248 /nfs/dbraw/zinc/32/02/48/1119320248.db2.gz KQJCYDULTIVNCD-UHFFFAOYSA-N 2 1 299.393 3.510 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](C)CCc1ccccc1 ZINC000343191868 1119345097 /nfs/dbraw/zinc/34/50/97/1119345097.db2.gz IVYYZUMZJZXQLL-SJORKVTESA-N 2 1 299.462 3.686 20 0 CHADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000261837060 1119357317 /nfs/dbraw/zinc/35/73/17/1119357317.db2.gz CCAFIZGQCNPDRJ-GJZGRUSLSA-N 2 1 292.426 3.816 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC23CC3)CC[N@@H+]1Cc1ccccc1 ZINC000583576112 1119378883 /nfs/dbraw/zinc/37/88/83/1119378883.db2.gz DVOOAVSQESDEJH-NEWSRXKRSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC23CC3)CC[N@H+]1Cc1ccccc1 ZINC000583576112 1119378885 /nfs/dbraw/zinc/37/88/85/1119378885.db2.gz DVOOAVSQESDEJH-NEWSRXKRSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C/C=C\Cl)CC1 ZINC000255572224 1119385018 /nfs/dbraw/zinc/38/50/18/1119385018.db2.gz IMSCQCVCFASHPX-KHSJVXASSA-N 2 1 284.875 3.715 20 0 CHADMP CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](CCC)C1)c1ccccc1 ZINC000151094498 1119393156 /nfs/dbraw/zinc/39/31/56/1119393156.db2.gz NWRGRGQINNVIRD-AEFFLSMTSA-N 2 1 274.452 3.849 20 0 CHADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)[NH+](C)C ZINC000250378982 1119422899 /nfs/dbraw/zinc/42/28/99/1119422899.db2.gz DEERBOKTEFKDEY-SRABZTEZSA-N 2 1 268.489 3.767 20 0 CHADMP C[C@@H]1CC([N@H+]2CCC[C@H]2C2CCCCC2)C[C@@H](C)[NH2+]1 ZINC000708386416 1119423891 /nfs/dbraw/zinc/42/38/91/1119423891.db2.gz MIINRQHBYMWJFW-CPUCHLNUSA-N 2 1 264.457 3.560 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)C1(c2ccccc2)CCCC1 ZINC000343509317 1119437662 /nfs/dbraw/zinc/43/76/62/1119437662.db2.gz KDECELFDNJVFOB-INIZCTEOSA-N 2 1 297.446 3.682 20 0 CHADMP CCC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CC1(C)C ZINC000397800817 1119447014 /nfs/dbraw/zinc/44/70/14/1119447014.db2.gz RJZVXMIGXIHIKW-LDBYLJPUSA-N 2 1 278.484 3.806 20 0 CHADMP CCC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CC1(C)C ZINC000397800817 1119447017 /nfs/dbraw/zinc/44/70/17/1119447017.db2.gz RJZVXMIGXIHIKW-LDBYLJPUSA-N 2 1 278.484 3.806 20 0 CHADMP C[C@H]1CC[N@H+](C2CCC(C(C)(C)C)CC2)C[C@H]1C[NH3+] ZINC000253189697 1119460311 /nfs/dbraw/zinc/46/03/11/1119460311.db2.gz KLJXZITYCNEUGT-QRNKSROTSA-N 2 1 266.473 3.508 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CCC(C)C)C(C)(C)C ZINC000343641343 1119477406 /nfs/dbraw/zinc/47/74/06/1119477406.db2.gz ZGOKICAOUDYGHL-HNNXBMFYSA-N 2 1 265.445 3.632 20 0 CHADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)C(C)(C)C(F)F ZINC000657829769 1119478253 /nfs/dbraw/zinc/47/82/53/1119478253.db2.gz HZIANESCIFCFPF-ZDUSSCGKSA-N 2 1 290.442 3.910 20 0 CHADMP CCCCC[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000250819678 1119497877 /nfs/dbraw/zinc/49/78/77/1119497877.db2.gz KRHOFVWLKKLGMJ-JKSUJKDBSA-N 2 1 254.462 3.809 20 0 CHADMP C[C@H]([NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1)C(C)(C)C(F)F ZINC000657845157 1119508226 /nfs/dbraw/zinc/50/82/26/1119508226.db2.gz QJNXEWWICRRAKC-WWGRRREGSA-N 2 1 290.442 3.766 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CC2(C)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000090220122 1119543354 /nfs/dbraw/zinc/54/33/54/1119543354.db2.gz HQQHFNWLVRPLBC-FUHWJXTLSA-N 2 1 286.463 3.819 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CC2(C)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000090220122 1119543358 /nfs/dbraw/zinc/54/33/58/1119543358.db2.gz HQQHFNWLVRPLBC-FUHWJXTLSA-N 2 1 286.463 3.819 20 0 CHADMP CCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000090219720 1119543825 /nfs/dbraw/zinc/54/38/25/1119543825.db2.gz HWQMAZBHBDKUIN-AEFFLSMTSA-N 2 1 286.463 3.819 20 0 CHADMP CCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000090219720 1119543826 /nfs/dbraw/zinc/54/38/26/1119543826.db2.gz HWQMAZBHBDKUIN-AEFFLSMTSA-N 2 1 286.463 3.819 20 0 CHADMP CCCc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000538691836 1119591989 /nfs/dbraw/zinc/59/19/89/1119591989.db2.gz QTHGGHOQNYBGDM-RBUKOAKNSA-N 2 1 286.463 3.555 20 0 CHADMP CCCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000538691836 1119591992 /nfs/dbraw/zinc/59/19/92/1119591992.db2.gz QTHGGHOQNYBGDM-RBUKOAKNSA-N 2 1 286.463 3.555 20 0 CHADMP CCCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000538691836 1119591996 /nfs/dbraw/zinc/59/19/96/1119591996.db2.gz QTHGGHOQNYBGDM-RBUKOAKNSA-N 2 1 286.463 3.555 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)cc(Cl)cc2C)C1 ZINC001648920747 1119595180 /nfs/dbraw/zinc/59/51/80/1119595180.db2.gz FQPRPWQSNBTECI-HNNXBMFYSA-N 2 1 294.870 3.778 20 0 CHADMP Cc1ccc([C@@H](C)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000628222150 1119597563 /nfs/dbraw/zinc/59/75/63/1119597563.db2.gz IAGZUOJCFLGQAY-UXDRXVOSSA-N 2 1 286.463 3.703 20 0 CHADMP Cc1cc(Cl)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000468390997 1119597945 /nfs/dbraw/zinc/59/79/45/1119597945.db2.gz AQWZYVPWPIRWBI-DOTOQJQBSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(Cl)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000468390997 1119597946 /nfs/dbraw/zinc/59/79/46/1119597946.db2.gz AQWZYVPWPIRWBI-DOTOQJQBSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000468390997 1119597947 /nfs/dbraw/zinc/59/79/47/1119597947.db2.gz AQWZYVPWPIRWBI-DOTOQJQBSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000468390997 1119597948 /nfs/dbraw/zinc/59/79/48/1119597948.db2.gz AQWZYVPWPIRWBI-DOTOQJQBSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CCCC(C)(C)C1 ZINC000685462132 1119610805 /nfs/dbraw/zinc/61/08/05/1119610805.db2.gz HCCRLTKFQBLFBY-INIZCTEOSA-N 2 1 277.456 3.730 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CCCC(C)(C)C1 ZINC000685462132 1119610807 /nfs/dbraw/zinc/61/08/07/1119610807.db2.gz HCCRLTKFQBLFBY-INIZCTEOSA-N 2 1 277.456 3.730 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CCCC(C)(C)C1 ZINC000685462136 1119610937 /nfs/dbraw/zinc/61/09/37/1119610937.db2.gz HCCRLTKFQBLFBY-MRXNPFEDSA-N 2 1 277.456 3.730 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CCCC(C)(C)C1 ZINC000685462136 1119610939 /nfs/dbraw/zinc/61/09/39/1119610939.db2.gz HCCRLTKFQBLFBY-MRXNPFEDSA-N 2 1 277.456 3.730 20 0 CHADMP Cc1cc(Cl)ccc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000685470667 1119612172 /nfs/dbraw/zinc/61/21/72/1119612172.db2.gz FUWHRUYYXLZPAO-RDJZCZTQSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000685470667 1119612173 /nfs/dbraw/zinc/61/21/73/1119612173.db2.gz FUWHRUYYXLZPAO-RDJZCZTQSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000685470667 1119612175 /nfs/dbraw/zinc/61/21/75/1119612175.db2.gz FUWHRUYYXLZPAO-RDJZCZTQSA-N 2 1 292.854 3.565 20 0 CHADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000271823930 1119612721 /nfs/dbraw/zinc/61/27/21/1119612721.db2.gz CUJSGXZOSVLVOF-LLVKDONJSA-N 2 1 299.245 3.906 20 0 CHADMP CSc1ccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)s1 ZINC000685620307 1119639988 /nfs/dbraw/zinc/63/99/88/1119639988.db2.gz BPGASDHGVBBMFA-ZDUSSCGKSA-N 2 1 298.521 3.824 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](CC)Cc1cccs1 ZINC000685658046 1119648035 /nfs/dbraw/zinc/64/80/35/1119648035.db2.gz BBTROTXCFBYWBW-CABCVRRESA-N 2 1 282.497 3.779 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](CC)Cc1cccs1 ZINC000685658046 1119648037 /nfs/dbraw/zinc/64/80/37/1119648037.db2.gz BBTROTXCFBYWBW-CABCVRRESA-N 2 1 282.497 3.779 20 0 CHADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000223071770 1119654979 /nfs/dbraw/zinc/65/49/79/1119654979.db2.gz QLYDNDKIAQUFRD-ZIAGYGMSSA-N 2 1 282.859 3.591 20 0 CHADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000093770451 1119661092 /nfs/dbraw/zinc/66/10/92/1119661092.db2.gz ILSCYVFIXQWCQH-AWEZNQCLSA-N 2 1 294.508 3.819 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000093770451 1119661096 /nfs/dbraw/zinc/66/10/96/1119661096.db2.gz ILSCYVFIXQWCQH-AWEZNQCLSA-N 2 1 294.508 3.819 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)C1CCSCC1 ZINC000658227955 1119706566 /nfs/dbraw/zinc/70/65/66/1119706566.db2.gz FCNXLFAUIPKWOY-HOCLYGCPSA-N 2 1 296.524 3.515 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)C1CCSCC1 ZINC000658227955 1119706571 /nfs/dbraw/zinc/70/65/71/1119706571.db2.gz FCNXLFAUIPKWOY-HOCLYGCPSA-N 2 1 296.524 3.515 20 0 CHADMP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000647479975 1119784156 /nfs/dbraw/zinc/78/41/56/1119784156.db2.gz ZMATZNWXOOHEHH-RDJZCZTQSA-N 2 1 292.854 3.612 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000647479975 1119784158 /nfs/dbraw/zinc/78/41/58/1119784158.db2.gz ZMATZNWXOOHEHH-RDJZCZTQSA-N 2 1 292.854 3.612 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCSc2ccccc2)C[C@H]1C ZINC000531140091 1119793345 /nfs/dbraw/zinc/79/33/45/1119793345.db2.gz LABFIWVCSVDDGO-HZPDHXFCSA-N 2 1 292.492 3.583 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCSc2ccccc2)C[C@H]1C ZINC000531140091 1119793348 /nfs/dbraw/zinc/79/33/48/1119793348.db2.gz LABFIWVCSVDDGO-HZPDHXFCSA-N 2 1 292.492 3.583 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCSc2ccccc2)C[C@H]1C ZINC000531140091 1119793351 /nfs/dbraw/zinc/79/33/51/1119793351.db2.gz LABFIWVCSVDDGO-HZPDHXFCSA-N 2 1 292.492 3.583 20 0 CHADMP C[C@@]1(c2ccccc2)CC[C@H]([N@@H+](C2CC2)C2CC[NH2+]CC2)C1 ZINC000647482636 1119793537 /nfs/dbraw/zinc/79/35/37/1119793537.db2.gz VFYVAOYRHRJQIG-VQTJNVASSA-N 2 1 298.474 3.713 20 0 CHADMP CCC[N@@H+](CC[C@H](C)c1ccccc1)C1CC[NH2+]CC1 ZINC000570213070 1119809625 /nfs/dbraw/zinc/80/96/25/1119809625.db2.gz ZAMAFCDYTPDQPR-INIZCTEOSA-N 2 1 274.452 3.644 20 0 CHADMP CC(C)c1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000570320068 1119819684 /nfs/dbraw/zinc/81/96/84/1119819684.db2.gz YCUDVRHGEFXMQP-RBUKOAKNSA-N 2 1 286.463 3.726 20 0 CHADMP CC(C)c1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000570320068 1119819686 /nfs/dbraw/zinc/81/96/86/1119819686.db2.gz YCUDVRHGEFXMQP-RBUKOAKNSA-N 2 1 286.463 3.726 20 0 CHADMP CC(C)c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000570320068 1119819692 /nfs/dbraw/zinc/81/96/92/1119819692.db2.gz YCUDVRHGEFXMQP-RBUKOAKNSA-N 2 1 286.463 3.726 20 0 CHADMP CC(C)[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272365832 1119855781 /nfs/dbraw/zinc/85/57/81/1119855781.db2.gz TWIAURVGVIHSFD-LZLYRXPVSA-N 2 1 274.452 3.531 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1C[C@H]1C ZINC000414073543 1119883620 /nfs/dbraw/zinc/88/36/20/1119883620.db2.gz MFMBFXHSFRNZFS-AESZEHBQSA-N 2 1 292.492 3.594 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1C[C@H]1C ZINC000414073543 1119883625 /nfs/dbraw/zinc/88/36/25/1119883625.db2.gz MFMBFXHSFRNZFS-AESZEHBQSA-N 2 1 292.492 3.594 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cccs1 ZINC000157922491 1119899840 /nfs/dbraw/zinc/89/98/40/1119899840.db2.gz ULNKCFNSSHZOAY-GJZGRUSLSA-N 2 1 280.481 3.911 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000414171154 1119925901 /nfs/dbraw/zinc/92/59/01/1119925901.db2.gz CRELTJPAVBCXHC-NEPXVJNWSA-N 2 1 286.463 3.500 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000414181133 1119928744 /nfs/dbraw/zinc/92/87/44/1119928744.db2.gz LVKMMOGDDKMWET-IIDMSEBBSA-N 2 1 272.436 3.556 20 0 CHADMP Cc1cc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(C)s1 ZINC000414185486 1119930399 /nfs/dbraw/zinc/93/03/99/1119930399.db2.gz OQJRZEJNAUBTCM-ZFWWWQNUSA-N 2 1 280.481 3.747 20 0 CHADMP CC(C)[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000414185560 1119930585 /nfs/dbraw/zinc/93/05/85/1119930585.db2.gz PAIVEMGVLBPHOD-WMZOPIPTSA-N 2 1 274.452 3.705 20 0 CHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000414196846 1119934059 /nfs/dbraw/zinc/93/40/59/1119934059.db2.gz VLDSCUZMTSLWML-KBXCAEBGSA-N 2 1 290.426 3.525 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000613491536 1119940878 /nfs/dbraw/zinc/94/08/78/1119940878.db2.gz WMLBZEFGOIIRJQ-UHFFFAOYSA-N 2 1 288.479 3.939 20 0 CHADMP CC(C)[C@@H](C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1)[NH+]1CCCC1 ZINC000708841223 1119968488 /nfs/dbraw/zinc/96/84/88/1119968488.db2.gz JEIJTTPMEHLRIY-GVDBMIGSSA-N 2 1 280.500 3.911 20 0 CHADMP c1oc2ccccc2c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544193 1120005938 /nfs/dbraw/zinc/00/59/38/1120005938.db2.gz YAUYBWDWMIIDBV-JKSUJKDBSA-N 2 1 298.430 3.644 20 0 CHADMP c1oc2ccccc2c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544189 1120005951 /nfs/dbraw/zinc/00/59/51/1120005951.db2.gz YAUYBWDWMIIDBV-CVEARBPZSA-N 2 1 298.430 3.644 20 0 CHADMP C[C@H](CC[NH2+][C@@H](C)c1cccnc1)[N@H+](C)Cc1ccccc1 ZINC000177465388 1120038612 /nfs/dbraw/zinc/03/86/12/1120038612.db2.gz LFOCYZQUDRQVQA-SJORKVTESA-N 2 1 297.446 3.643 20 0 CHADMP C[C@H](CC[NH2+][C@@H](C)c1cccnc1)[N@@H+](C)Cc1ccccc1 ZINC000177465388 1120038616 /nfs/dbraw/zinc/03/86/16/1120038616.db2.gz LFOCYZQUDRQVQA-SJORKVTESA-N 2 1 297.446 3.643 20 0 CHADMP Cc1cc2[nH]ccc2c(-c2ccccc2C[NH+](C)C)[nH+]1 ZINC001239680835 1120070420 /nfs/dbraw/zinc/07/04/20/1120070420.db2.gz KVQYWYPQNIXQAD-UHFFFAOYSA-N 2 1 265.360 3.600 20 0 CHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000624121148 1120075693 /nfs/dbraw/zinc/07/56/93/1120075693.db2.gz PFJWVGCUEKBJEA-CXAGYDPISA-N 2 1 292.854 3.649 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@H+](C2CCC(c3ccccc3)CC2)C1 ZINC000040591898 1120077242 /nfs/dbraw/zinc/07/72/42/1120077242.db2.gz GWEICIMVTZQAMF-IPJUCJBFSA-N 2 1 286.463 3.644 20 0 CHADMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(F)c1F ZINC000183209503 1120130667 /nfs/dbraw/zinc/13/06/67/1120130667.db2.gz JIFYQUWKNMQXAJ-LLVKDONJSA-N 2 1 296.405 3.925 20 0 CHADMP c1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000378871550 1120137101 /nfs/dbraw/zinc/13/71/01/1120137101.db2.gz OWUWEBILHFKAMV-ZRNYENFQSA-N 2 1 298.474 3.929 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CC[C@@H]1CCCC[NH+]1C ZINC000472730398 1120156382 /nfs/dbraw/zinc/15/63/82/1120156382.db2.gz BHFFNAOHOCPZLK-NEWSRXKRSA-N 2 1 286.463 3.739 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2)C[NH+]1CC[C@@H]1CCCC[N@@H+]1C ZINC000472730398 1120156383 /nfs/dbraw/zinc/15/63/83/1120156383.db2.gz BHFFNAOHOCPZLK-NEWSRXKRSA-N 2 1 286.463 3.739 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(SC)c2)C[C@@H]1C ZINC000659983003 1120323825 /nfs/dbraw/zinc/32/38/25/1120323825.db2.gz BIHFXNZNAFWQIZ-GOEBONIOSA-N 2 1 292.492 3.713 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(SC)c2)C[C@@H]1C ZINC000659983003 1120323829 /nfs/dbraw/zinc/32/38/29/1120323829.db2.gz BIHFXNZNAFWQIZ-GOEBONIOSA-N 2 1 292.492 3.713 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(SC)c2)C[C@@H]1C ZINC000659983003 1120323836 /nfs/dbraw/zinc/32/38/36/1120323836.db2.gz BIHFXNZNAFWQIZ-GOEBONIOSA-N 2 1 292.492 3.713 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(SC)c2)C[C@@H]1C ZINC000659983003 1120323842 /nfs/dbraw/zinc/32/38/42/1120323842.db2.gz BIHFXNZNAFWQIZ-GOEBONIOSA-N 2 1 292.492 3.713 20 0 CHADMP C[C@H]1C[C@@H]([N@@H+](C)CC2CC=CC2)CCN1Cc1ccccc1 ZINC000659993693 1120330776 /nfs/dbraw/zinc/33/07/76/1120330776.db2.gz QWSOHXRTHKHTRT-PXNSSMCTSA-N 2 1 298.474 3.938 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)CC2CC=CC2)CC[N@@H+]1Cc1ccccc1 ZINC000659993693 1120330780 /nfs/dbraw/zinc/33/07/80/1120330780.db2.gz QWSOHXRTHKHTRT-PXNSSMCTSA-N 2 1 298.474 3.938 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)CC2CC=CC2)CC[N@H+]1Cc1ccccc1 ZINC000659993693 1120330783 /nfs/dbraw/zinc/33/07/83/1120330783.db2.gz QWSOHXRTHKHTRT-PXNSSMCTSA-N 2 1 298.474 3.938 20 0 CHADMP C[C@H]1C[C@@H]([N@H+](C)CC2CC=CC2)CC[NH+]1Cc1ccccc1 ZINC000659993693 1120330789 /nfs/dbraw/zinc/33/07/89/1120330789.db2.gz QWSOHXRTHKHTRT-PXNSSMCTSA-N 2 1 298.474 3.938 20 0 CHADMP C[C@H]1C[C@@H]([N@@H+](C)CC2CC=CC2)CC[NH+]1Cc1ccccc1 ZINC000659993693 1120330794 /nfs/dbraw/zinc/33/07/94/1120330794.db2.gz QWSOHXRTHKHTRT-PXNSSMCTSA-N 2 1 298.474 3.938 20 0 CHADMP CC(C)[C@@H](C)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309650277 1120342598 /nfs/dbraw/zinc/34/25/98/1120342598.db2.gz GFNBGDUALZYRMN-AEFFLSMTSA-N 2 1 274.452 3.533 20 0 CHADMP CCC[N@H+](CC)CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417317175 1120425039 /nfs/dbraw/zinc/42/50/39/1120425039.db2.gz VXUULSKWOUXCJA-QLFBSQMISA-N 2 1 280.481 3.562 20 0 CHADMP CCC[N@@H+](CC)CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417317175 1120425041 /nfs/dbraw/zinc/42/50/41/1120425041.db2.gz VXUULSKWOUXCJA-QLFBSQMISA-N 2 1 280.481 3.562 20 0 CHADMP Cc1ccc2cc[nH+]c(NC3CC[NH+](C(C)C)CC3)c2c1 ZINC000584776575 1120444406 /nfs/dbraw/zinc/44/44/06/1120444406.db2.gz BRYKPWCPLPIFQC-UHFFFAOYSA-N 2 1 283.419 3.828 20 0 CHADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@@H](C)c1ccccc1 ZINC000584808039 1120453107 /nfs/dbraw/zinc/45/31/07/1120453107.db2.gz DXZDFSGVMVQLQV-QGZVFWFLSA-N 2 1 274.452 3.598 20 0 CHADMP CC(C)=CCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660257017 1120470002 /nfs/dbraw/zinc/47/00/02/1120470002.db2.gz PWZCBOHDTKVYQG-JKSUJKDBSA-N 2 1 264.457 3.585 20 0 CHADMP CC(C)=CCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660257014 1120470084 /nfs/dbraw/zinc/47/00/84/1120470084.db2.gz PWZCBOHDTKVYQG-CVEARBPZSA-N 2 1 264.457 3.585 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660306079 1120490936 /nfs/dbraw/zinc/49/09/36/1120490936.db2.gz NUIFBJWVQVOYOC-XIKSMUEASA-N 2 1 298.474 3.533 20 0 CHADMP CCC(CC)C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222153854 1120496629 /nfs/dbraw/zinc/49/66/29/1120496629.db2.gz BOUVMAHZROCZJY-QGZVFWFLSA-N 2 1 266.473 3.668 20 0 CHADMP Cc1c2[nH+]c[nH]c2ccc1NCCC[N@@H+]1CCCC[C@@H]1C ZINC001167752923 1120545842 /nfs/dbraw/zinc/54/58/42/1120545842.db2.gz IYQIOSXOQOASNJ-ZDUSSCGKSA-N 2 1 286.423 3.548 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000019943165 1120550990 /nfs/dbraw/zinc/55/09/90/1120550990.db2.gz KJBCNHUDQNWZII-INIZCTEOSA-N 2 1 292.467 3.856 20 0 CHADMP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000922668118 1120575344 /nfs/dbraw/zinc/57/53/44/1120575344.db2.gz ZORILTAOXVIZMP-HIFRSBDPSA-N 2 1 278.415 3.658 20 0 CHADMP CC(C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390562723 1120596251 /nfs/dbraw/zinc/59/62/51/1120596251.db2.gz MUFLALAEQYMTCV-GOSISDBHSA-N 2 1 288.479 3.923 20 0 CHADMP CC(C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390562723 1120596256 /nfs/dbraw/zinc/59/62/56/1120596256.db2.gz MUFLALAEQYMTCV-GOSISDBHSA-N 2 1 288.479 3.923 20 0 CHADMP Cc1ccc(Oc2cccc(C[NH+]3CCC([NH3+])CC3)c2)cc1 ZINC001204646122 1120605946 /nfs/dbraw/zinc/60/59/46/1120605946.db2.gz HKFFWTWVFWNSIP-UHFFFAOYSA-N 2 1 296.414 3.710 20 0 CHADMP C[C@@H]1CCC[N@H+]1Cc1ccc(-c2cccc3c2C[NH2+]C3)cc1 ZINC000629702400 1128927935 /nfs/dbraw/zinc/92/79/35/1128927935.db2.gz MOTXDXGQSBWEAY-OAHLLOKOSA-N 2 1 292.426 3.941 20 0 CHADMP Cc1cc(Cl)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000509066013 1120623337 /nfs/dbraw/zinc/62/33/37/1120623337.db2.gz CMQOAAKQIKGEAK-NVXWUHKLSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(Cl)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000509066013 1120623341 /nfs/dbraw/zinc/62/33/41/1120623341.db2.gz CMQOAAKQIKGEAK-NVXWUHKLSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000509066013 1120623344 /nfs/dbraw/zinc/62/33/44/1120623344.db2.gz CMQOAAKQIKGEAK-NVXWUHKLSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000509066013 1120623346 /nfs/dbraw/zinc/62/33/46/1120623346.db2.gz CMQOAAKQIKGEAK-NVXWUHKLSA-N 2 1 292.854 3.565 20 0 CHADMP C[N@@H+](C[C@@H]1CCCCC1(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000660541300 1120654478 /nfs/dbraw/zinc/65/44/78/1120654478.db2.gz VKWUGBHNZMGNPV-PMRDEQMMSA-N 2 1 278.484 3.760 20 0 CHADMP C[NH+](C[C@@H]1CCCCC1(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000660541300 1120654480 /nfs/dbraw/zinc/65/44/80/1120654480.db2.gz VKWUGBHNZMGNPV-PMRDEQMMSA-N 2 1 278.484 3.760 20 0 CHADMP C[NH+](C[C@@H]1CCCCC1(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000660541300 1120654484 /nfs/dbraw/zinc/65/44/84/1120654484.db2.gz VKWUGBHNZMGNPV-PMRDEQMMSA-N 2 1 278.484 3.760 20 0 CHADMP C[C@H](CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000043536042 1120655476 /nfs/dbraw/zinc/65/54/76/1120655476.db2.gz LMKHCSBSYYZKTC-NEWSRXKRSA-N 2 1 286.463 3.644 20 0 CHADMP C[N@H+]1CCC[C@]2(CC[NH+](CC[C@H]3CCc4ccccc43)C2)C1 ZINC000660642727 1120673512 /nfs/dbraw/zinc/67/35/12/1120673512.db2.gz UXVOEVUHUJVEBF-QUCCMNQESA-N 2 1 298.474 3.524 20 0 CHADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660659298 1120674553 /nfs/dbraw/zinc/67/45/53/1120674553.db2.gz NZFUGXPTWZAGRN-ZWKOTPCHSA-N 2 1 272.436 3.555 20 0 CHADMP c1ccc(C2CC2)c(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1 ZINC000228079619 1120720240 /nfs/dbraw/zinc/72/02/40/1120720240.db2.gz RFEBORAOZPNMMU-IBGZPJMESA-N 2 1 284.447 3.530 20 0 CHADMP CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000257709777 1120742638 /nfs/dbraw/zinc/74/26/38/1120742638.db2.gz NMFDGRWHHCXPOB-QAPCUYQASA-N 2 1 272.436 3.556 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000212782836 1120785066 /nfs/dbraw/zinc/78/50/66/1120785066.db2.gz IZTJTOAHYNTHGR-NSHDSACASA-N 2 1 284.806 3.614 20 0 CHADMP CC(C)C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000652154379 1120792385 /nfs/dbraw/zinc/79/23/85/1120792385.db2.gz DDHAOJHSKNJQGL-JLSDUUJJSA-N 2 1 292.442 3.985 20 0 CHADMP CC(C)C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000652154379 1120792390 /nfs/dbraw/zinc/79/23/90/1120792390.db2.gz DDHAOJHSKNJQGL-JLSDUUJJSA-N 2 1 292.442 3.985 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+]CCC3CCCC3)CC2)cc1 ZINC000037493007 1120813442 /nfs/dbraw/zinc/81/34/42/1120813442.db2.gz UTZIECGFTFPEIN-UHFFFAOYSA-N 2 1 286.463 3.821 20 0 CHADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000661968056 1120849505 /nfs/dbraw/zinc/84/95/05/1120849505.db2.gz TVCBVIPXUNCVMP-RTBURBONSA-N 2 1 284.447 3.514 20 0 CHADMP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000054241268 1120854956 /nfs/dbraw/zinc/85/49/56/1120854956.db2.gz MCPRSQWOHOGIAC-WMLDXEAASA-N 2 1 294.870 3.969 20 0 CHADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc3ccccc3o2)C1 ZINC000250475249 1120881513 /nfs/dbraw/zinc/88/15/13/1120881513.db2.gz AGEPFPIOKMZGBO-CABCVRRESA-N 2 1 286.419 3.814 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc3ccccc3o2)C1 ZINC000250475249 1120881515 /nfs/dbraw/zinc/88/15/15/1120881515.db2.gz AGEPFPIOKMZGBO-CABCVRRESA-N 2 1 286.419 3.814 20 0 CHADMP CCC[N@H+](C)CC(C)(C)[NH2+]CC1CCC(F)(F)CC1 ZINC000662179079 1120891568 /nfs/dbraw/zinc/89/15/68/1120891568.db2.gz GWGQPWBMORHARC-UHFFFAOYSA-N 2 1 276.415 3.522 20 0 CHADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CC1CCC(F)(F)CC1 ZINC000662179079 1120891572 /nfs/dbraw/zinc/89/15/72/1120891572.db2.gz GWGQPWBMORHARC-UHFFFAOYSA-N 2 1 276.415 3.522 20 0 CHADMP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662249949 1120912013 /nfs/dbraw/zinc/91/20/13/1120912013.db2.gz VXQPWQUDXBMCPG-NXHRZFHOSA-N 2 1 274.452 3.533 20 0 CHADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662278077 1120917273 /nfs/dbraw/zinc/91/72/73/1120917273.db2.gz VENRQVRERVLBFL-OIISXLGYSA-N 2 1 274.452 3.533 20 0 CHADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296524 1120921806 /nfs/dbraw/zinc/92/18/06/1120921806.db2.gz LRBHRUUGSDBYJD-PBHICJAKSA-N 2 1 290.426 3.598 20 0 CHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C(F)F)cc2)[C@@H]1CCC[NH3+] ZINC000662317876 1120925807 /nfs/dbraw/zinc/92/58/07/1120925807.db2.gz UUNNYWAVUXIGPJ-CZUORRHYSA-N 2 1 296.405 3.964 20 0 CHADMP Cc1cc(C)cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347471 1120942711 /nfs/dbraw/zinc/94/27/11/1120942711.db2.gz LQDKQQLVTZTWTI-GOSISDBHSA-N 2 1 286.463 3.515 20 0 CHADMP c1ccc(C2CC([NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)C2)cc1 ZINC000663467430 1120981812 /nfs/dbraw/zinc/98/18/12/1120981812.db2.gz FUWLDHHEVFPXNN-KKXNLOMOSA-N 2 1 298.474 3.644 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000663470182 1120984448 /nfs/dbraw/zinc/98/44/48/1120984448.db2.gz SSKHBUYHOKMJMM-PKOBYXMFSA-N 2 1 286.463 3.849 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(C)o1 ZINC000663471749 1120986106 /nfs/dbraw/zinc/98/61/06/1120986106.db2.gz XSZQPXMZKLPVSZ-PBHICJAKSA-N 2 1 290.451 3.669 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(C)o1 ZINC000663471749 1120986103 /nfs/dbraw/zinc/98/61/03/1120986103.db2.gz XSZQPXMZKLPVSZ-PBHICJAKSA-N 2 1 290.451 3.669 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1ccccc1OC ZINC001167824594 1120997593 /nfs/dbraw/zinc/99/75/93/1120997593.db2.gz HTPUXVLQTSWZOU-MRXNPFEDSA-N 2 1 292.467 3.638 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)CCOc1ccccc1 ZINC001167824738 1120997716 /nfs/dbraw/zinc/99/77/16/1120997716.db2.gz GDVYOCPLUHFRCI-KRWDZBQOSA-N 2 1 292.467 3.508 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H]1c1ccncc1 ZINC001167825892 1121000468 /nfs/dbraw/zinc/00/04/68/1121000468.db2.gz LMOKMQLXFYQLMX-FUHWJXTLSA-N 2 1 289.467 3.729 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H]1c1nccs1 ZINC001167836459 1121038165 /nfs/dbraw/zinc/03/81/65/1121038165.db2.gz DTEDEJYDGJMQRG-GJZGRUSLSA-N 2 1 295.496 3.791 20 0 CHADMP c1ccc([C@@H](CC2CCC2)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000344031204 1121057846 /nfs/dbraw/zinc/05/78/46/1121057846.db2.gz GLXGFFQXZHOLRG-YLJYHZDGSA-N 2 1 298.474 3.992 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC2CCC2)c2ccccc2)C1 ZINC000344035135 1121062116 /nfs/dbraw/zinc/06/21/16/1121062116.db2.gz PYQHZNZKUQRKSI-HKUYNNGSSA-N 2 1 286.463 3.849 20 0 CHADMP Cc1cc(C)c(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000093643620 1128966714 /nfs/dbraw/zinc/96/67/14/1128966714.db2.gz NKUYYGHEQJMJIO-SJLPKXTDSA-N 2 1 274.452 3.526 20 0 CHADMP Cc1cc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000093643620 1128966717 /nfs/dbraw/zinc/96/67/17/1128966717.db2.gz NKUYYGHEQJMJIO-SJLPKXTDSA-N 2 1 274.452 3.526 20 0 CHADMP Cc1cc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1C ZINC000093643620 1128966722 /nfs/dbraw/zinc/96/67/22/1128966722.db2.gz NKUYYGHEQJMJIO-SJLPKXTDSA-N 2 1 274.452 3.526 20 0 CHADMP Cc1cc(C)c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1C ZINC000093643620 1128966725 /nfs/dbraw/zinc/96/67/25/1128966725.db2.gz NKUYYGHEQJMJIO-SJLPKXTDSA-N 2 1 274.452 3.526 20 0 CHADMP C[C@@H]1CC[C@H](c2ccccc2)[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000512199937 1121192051 /nfs/dbraw/zinc/19/20/51/1121192051.db2.gz XUCYQUOKQBUCIR-NZSAHSFTSA-N 2 1 286.463 3.944 20 0 CHADMP C[C@@H]1CC[C@H](c2ccccc2)[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000512199937 1121192052 /nfs/dbraw/zinc/19/20/52/1121192052.db2.gz XUCYQUOKQBUCIR-NZSAHSFTSA-N 2 1 286.463 3.944 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(C)(C)F ZINC000658193747 1121214510 /nfs/dbraw/zinc/21/45/10/1121214510.db2.gz YEUXABOCLFKRDG-DOTOQJQBSA-N 2 1 292.442 3.625 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C(F)F ZINC000658229243 1121236271 /nfs/dbraw/zinc/23/62/71/1121236271.db2.gz BBAUSGXFSWGZKW-QWHCGFSZSA-N 2 1 288.426 3.663 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)(C)C(F)F ZINC000658229243 1121236272 /nfs/dbraw/zinc/23/62/72/1121236272.db2.gz BBAUSGXFSWGZKW-QWHCGFSZSA-N 2 1 288.426 3.663 20 0 CHADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000231439092 1121238264 /nfs/dbraw/zinc/23/82/64/1121238264.db2.gz PXFIUZYKQAQFJV-CRAIPNDOSA-N 2 1 298.430 3.654 20 0 CHADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000675751931 1121350603 /nfs/dbraw/zinc/35/06/03/1121350603.db2.gz GYNMHCHYGOIAFZ-VKJFTORMSA-N 2 1 284.447 3.625 20 0 CHADMP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000675752430 1121351694 /nfs/dbraw/zinc/35/16/94/1121351694.db2.gz VASYPYWCSHMBOX-MLHJIOFPSA-N 2 1 278.484 3.808 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@]1(C)C1CCCCC1 ZINC001175643043 1121405915 /nfs/dbraw/zinc/40/59/15/1121405915.db2.gz JNXLGXLWAMHGCV-IRXDYDNUSA-N 2 1 264.457 3.515 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@]1(C)C1CCCCC1 ZINC001175643043 1121405919 /nfs/dbraw/zinc/40/59/19/1121405919.db2.gz JNXLGXLWAMHGCV-IRXDYDNUSA-N 2 1 264.457 3.515 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@]1(C)C1CCCCC1 ZINC001175643043 1121405922 /nfs/dbraw/zinc/40/59/22/1121405922.db2.gz JNXLGXLWAMHGCV-IRXDYDNUSA-N 2 1 264.457 3.515 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@]1(C)C1CCCCC1 ZINC001175643041 1121406487 /nfs/dbraw/zinc/40/64/87/1121406487.db2.gz JNXLGXLWAMHGCV-DLBZAZTESA-N 2 1 264.457 3.515 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@]1(C)C1CCCCC1 ZINC001175643041 1121406490 /nfs/dbraw/zinc/40/64/90/1121406490.db2.gz JNXLGXLWAMHGCV-DLBZAZTESA-N 2 1 264.457 3.515 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@]1(C)C1CCCCC1 ZINC001175643041 1121406493 /nfs/dbraw/zinc/40/64/93/1121406493.db2.gz JNXLGXLWAMHGCV-DLBZAZTESA-N 2 1 264.457 3.515 20 0 CHADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCC[C@H]4C[C@]43C)CC2)[nH+]1 ZINC000345056906 1121411973 /nfs/dbraw/zinc/41/19/73/1121411973.db2.gz LMNWJYASHZHFJZ-KVSKMBFKSA-N 2 1 299.462 3.527 20 0 CHADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc(F)cc1F ZINC001175690324 1121433829 /nfs/dbraw/zinc/43/38/29/1121433829.db2.gz XKKXAKRENYMMGH-UHFFFAOYSA-N 2 1 296.405 3.663 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C3CC4(CCC4)C3)C2)cc1 ZINC000676490503 1121435867 /nfs/dbraw/zinc/43/58/67/1121435867.db2.gz PUMIVTZKDWGUDL-GOSISDBHSA-N 2 1 298.474 3.821 20 0 CHADMP Cc1ccc([C@@H]([NH2+]CCn2cc[nH+]c2C)C2CCCC2)o1 ZINC000543600668 1121508665 /nfs/dbraw/zinc/50/86/65/1121508665.db2.gz BXMOYRJEISOJTF-KRWDZBQOSA-N 2 1 287.407 3.614 20 0 CHADMP C[C@@H](F)CC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000509370835 1121557640 /nfs/dbraw/zinc/55/76/40/1121557640.db2.gz IAPTXJJDVVOKIX-CVEARBPZSA-N 2 1 284.463 3.711 20 0 CHADMP c1cc([C@H]2CCC[N@@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC000923304693 1121558290 /nfs/dbraw/zinc/55/82/90/1121558290.db2.gz RNIAIXXGNMQQND-CVGRLMLNSA-N 2 1 290.476 3.806 20 0 CHADMP CC[NH+]1CCC(CNc2[nH+]ccc3ccc(C)cc32)CC1 ZINC000645136280 1121560380 /nfs/dbraw/zinc/56/03/80/1121560380.db2.gz MUOVYJAGAWZKGK-UHFFFAOYSA-N 2 1 283.419 3.687 20 0 CHADMP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CCC[NH2+]C1CC1 ZINC000923370980 1121562513 /nfs/dbraw/zinc/56/25/13/1121562513.db2.gz NBEXPEHKWFSDPS-ZDUSSCGKSA-N 2 1 295.496 3.710 20 0 CHADMP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CCC[NH2+]C1CC1 ZINC000923370980 1121562516 /nfs/dbraw/zinc/56/25/16/1121562516.db2.gz NBEXPEHKWFSDPS-ZDUSSCGKSA-N 2 1 295.496 3.710 20 0 CHADMP c1ccc2c(c1)[C@H]1CC[C@@H]2[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923424647 1121569861 /nfs/dbraw/zinc/56/98/61/1121569861.db2.gz AGWFGFAIIIQNEW-SUBGPWMZSA-N 2 1 296.458 3.841 20 0 CHADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCCCCCC[NH3+] ZINC000842471679 1121624988 /nfs/dbraw/zinc/62/49/88/1121624988.db2.gz RPCWAUQPKBDICM-ZDUSSCGKSA-N 2 1 284.394 3.867 20 0 CHADMP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000161592355 1121642465 /nfs/dbraw/zinc/64/24/65/1121642465.db2.gz WFYGTZNHDWZQSY-GVDBMIGSSA-N 2 1 272.436 3.581 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1F ZINC000161622588 1121644894 /nfs/dbraw/zinc/64/48/94/1121644894.db2.gz BNBKTUNXXTZHKM-VBQJREDUSA-N 2 1 294.389 3.632 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1F ZINC000161622588 1121644896 /nfs/dbraw/zinc/64/48/96/1121644896.db2.gz BNBKTUNXXTZHKM-VBQJREDUSA-N 2 1 294.389 3.632 20 0 CHADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000161635204 1121646247 /nfs/dbraw/zinc/64/62/47/1121646247.db2.gz GYNMHCHYGOIAFZ-RKVPGOIHSA-N 2 1 284.447 3.625 20 0 CHADMP CCC1([NH+]2CCCC2)CCN(c2cc[nH+]cc2Cl)CC1 ZINC000631448346 1129001565 /nfs/dbraw/zinc/00/15/65/1129001565.db2.gz GNWZRYWIJOICGO-UHFFFAOYSA-N 2 1 293.842 3.580 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000273902968 1121682784 /nfs/dbraw/zinc/68/27/84/1121682784.db2.gz XRMNXFMXUZUVGE-SFHVURJKSA-N 2 1 283.419 3.809 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1c1ccccc1 ZINC000273902968 1121682789 /nfs/dbraw/zinc/68/27/89/1121682789.db2.gz XRMNXFMXUZUVGE-SFHVURJKSA-N 2 1 283.419 3.809 20 0 CHADMP CC(C)CC[N@H+]1CCC[C@H](c2cncn2C(C)(C)C)C1 ZINC001176985629 1121703934 /nfs/dbraw/zinc/70/39/34/1121703934.db2.gz WDKBCNOAXQJQNI-HNNXBMFYSA-N 2 1 277.456 3.864 20 0 CHADMP CC(C)(CC[N@H+]1CCC[C@@](C)(C[NH3+])CC1)c1ccccc1 ZINC001206292506 1121709702 /nfs/dbraw/zinc/70/97/02/1121709702.db2.gz CCZHJMGZGPLZGX-LJQANCHMSA-N 2 1 288.479 3.805 20 0 CHADMP C[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001177086976 1121711897 /nfs/dbraw/zinc/71/18/97/1121711897.db2.gz RBAAQSHXZSENSN-HZPDHXFCSA-N 2 1 266.473 3.809 20 0 CHADMP CC(C)c1ccc(CC[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1 ZINC001206296097 1121718155 /nfs/dbraw/zinc/71/81/55/1121718155.db2.gz PMTDZDKUPFRKSC-IBGZPJMESA-N 2 1 288.479 3.803 20 0 CHADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCCCCc2ccccc2)CC1 ZINC001206297288 1121719749 /nfs/dbraw/zinc/71/97/49/1121719749.db2.gz XHRMSBASLSLILQ-LJQANCHMSA-N 2 1 288.479 3.850 20 0 CHADMP Cc1ccccc1C(C)(C)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001177600105 1121741017 /nfs/dbraw/zinc/74/10/17/1121741017.db2.gz YGJPZAJOLPJJDS-UHFFFAOYSA-N 2 1 297.446 3.523 20 0 CHADMP CC[N@H+](CC[NH2+]C1CCC(C2CCC2)CC1)C(C)C ZINC001177611545 1121742993 /nfs/dbraw/zinc/74/29/93/1121742993.db2.gz BVIBGEXGZZPDRF-UHFFFAOYSA-N 2 1 266.473 3.665 20 0 CHADMP CC[N@@H+](CC[NH2+]C1CCC(C2CCC2)CC1)C(C)C ZINC001177611545 1121742998 /nfs/dbraw/zinc/74/29/98/1121742998.db2.gz BVIBGEXGZZPDRF-UHFFFAOYSA-N 2 1 266.473 3.665 20 0 CHADMP CCC(CC)C[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC001177736838 1121747311 /nfs/dbraw/zinc/74/73/11/1121747311.db2.gz BFWTWMSIDXARAX-UHFFFAOYSA-N 2 1 262.441 3.664 20 0 CHADMP Cc1ccccc1[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000166584549 1121748380 /nfs/dbraw/zinc/74/83/80/1121748380.db2.gz UBCVYNHCWBTWGB-ZHALLVOQSA-N 2 1 286.463 3.909 20 0 CHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc3c2CCCC3)CC1 ZINC001206318968 1121771884 /nfs/dbraw/zinc/77/18/84/1121771884.db2.gz WHBDVPPQGNGTSG-LJQANCHMSA-N 2 1 286.463 3.516 20 0 CHADMP CC[C@H](c1ccccc1)[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261886440 1129008363 /nfs/dbraw/zinc/00/83/63/1129008363.db2.gz ZCQKKPXKQGUOBG-IPMKNSEASA-N 2 1 280.415 3.564 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261886440 1129008366 /nfs/dbraw/zinc/00/83/66/1129008366.db2.gz ZCQKKPXKQGUOBG-IPMKNSEASA-N 2 1 280.415 3.564 20 0 CHADMP Cc1cc(C)c(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c(C)c1 ZINC001178276143 1121776525 /nfs/dbraw/zinc/77/65/25/1121776525.db2.gz BZYBZBZQQCXXAM-QGZVFWFLSA-N 2 1 288.479 3.617 20 0 CHADMP CC(C)(CC[N@@H+]1CCCC[C@](F)(C[NH3+])C1)c1ccccc1 ZINC001206337295 1121801917 /nfs/dbraw/zinc/80/19/17/1121801917.db2.gz SDMBVWSYYRELND-SFHVURJKSA-N 2 1 292.442 3.507 20 0 CHADMP CC(C)(CC[N@H+]1CCCC[C@](F)(C[NH3+])C1)c1ccccc1 ZINC001206337295 1121801925 /nfs/dbraw/zinc/80/19/25/1121801925.db2.gz SDMBVWSYYRELND-SFHVURJKSA-N 2 1 292.442 3.507 20 0 CHADMP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2cc3ccccc3s2)C1 ZINC001206344503 1121812253 /nfs/dbraw/zinc/81/22/53/1121812253.db2.gz TZOJKRXUHXIGMO-INIZCTEOSA-N 2 1 292.423 3.554 20 0 CHADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC001206344503 1121812257 /nfs/dbraw/zinc/81/22/57/1121812257.db2.gz TZOJKRXUHXIGMO-INIZCTEOSA-N 2 1 292.423 3.554 20 0 CHADMP C[C@H](CCc1c[nH]c2ccccc12)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000631588189 1129011118 /nfs/dbraw/zinc/01/11/18/1129011118.db2.gz SSHFQBMDPBTGOC-HLLBOEOZSA-N 2 1 299.462 3.561 20 0 CHADMP C[C@H](CCc1c[nH]c2ccccc12)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000631588189 1129011122 /nfs/dbraw/zinc/01/11/22/1129011122.db2.gz SSHFQBMDPBTGOC-HLLBOEOZSA-N 2 1 299.462 3.561 20 0 CHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC001178916578 1121829772 /nfs/dbraw/zinc/82/97/72/1121829772.db2.gz IHMPZVWVNDLXDJ-QGZVFWFLSA-N 2 1 288.479 3.806 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000436283365 1121835678 /nfs/dbraw/zinc/83/56/78/1121835678.db2.gz UUHBLQLMKRDMPY-ZWKOTPCHSA-N 2 1 274.452 3.643 20 0 CHADMP CC(C)C[N@H+](C)CCC[NH2+]C/C=C\c1ccc(F)cc1F ZINC001179081848 1121846735 /nfs/dbraw/zinc/84/67/35/1121846735.db2.gz PGTGEQWZGTVVIQ-XQRVVYSFSA-N 2 1 296.405 3.546 20 0 CHADMP CC(C)C[N@@H+](C)CCC[NH2+]C/C=C\c1ccc(F)cc1F ZINC001179081848 1121846744 /nfs/dbraw/zinc/84/67/44/1121846744.db2.gz PGTGEQWZGTVVIQ-XQRVVYSFSA-N 2 1 296.405 3.546 20 0 CHADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H]([C@H]3CCCC3(C)C)C2)CC1 ZINC001206394196 1121904920 /nfs/dbraw/zinc/90/49/20/1121904920.db2.gz ZPSNMMOILOURSK-QZTJIDSGSA-N 2 1 292.511 3.867 20 0 CHADMP Cc1cccc([C@@H]2CCCCC[N@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC000647885993 1121917124 /nfs/dbraw/zinc/91/71/24/1121917124.db2.gz BCPUQGRKNJQZDG-AEFFLSMTSA-N 2 1 272.436 3.522 20 0 CHADMP Cc1cccc([C@@H]2CCCCC[N@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC000647885996 1121917755 /nfs/dbraw/zinc/91/77/55/1121917755.db2.gz BCPUQGRKNJQZDG-WMZOPIPTSA-N 2 1 272.436 3.522 20 0 CHADMP C[NH+]1CCC(C[N@@H+](Cc2ccccc2)CC(C)(C)C)CC1 ZINC001179997767 1121935077 /nfs/dbraw/zinc/93/50/77/1121935077.db2.gz WYXZHPFPYLMCIT-UHFFFAOYSA-N 2 1 288.479 3.877 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCCC12CC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000631666375 1129019855 /nfs/dbraw/zinc/01/98/55/1129019855.db2.gz YARNRCNKTBMJQZ-QXAKKESOSA-N 2 1 298.474 3.819 20 0 CHADMP CC(C)OC[C@@H](C)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000501442349 1121977858 /nfs/dbraw/zinc/97/78/58/1121977858.db2.gz IXRADORQMIHSFZ-HZPDHXFCSA-N 2 1 292.467 3.519 20 0 CHADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CC[C@H]1c1ccccc1 ZINC000420300760 1121996622 /nfs/dbraw/zinc/99/66/22/1121996622.db2.gz KLSHAPCAYVGNCK-YQVWRLOYSA-N 2 1 286.463 3.502 20 0 CHADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H](C)c1ccc(F)cc1 ZINC000420301685 1121996881 /nfs/dbraw/zinc/99/68/81/1121996881.db2.gz ITHNEMZXLAJHSK-CABCVRRESA-N 2 1 278.415 3.598 20 0 CHADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1Cl ZINC000420302917 1121997323 /nfs/dbraw/zinc/99/73/23/1121997323.db2.gz JZSHSGQAWKUYPG-CQSZACIVSA-N 2 1 280.843 3.552 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420305967 1121998490 /nfs/dbraw/zinc/99/84/90/1121998490.db2.gz QFBITDJNPWBKPZ-RRFJBIMHSA-N 2 1 294.870 3.763 20 0 CHADMP c1c2ccccc2[nH]c1[C@H]1CCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420314693 1121999134 /nfs/dbraw/zinc/99/91/34/1121999134.db2.gz ZIRWZCSBVYMODU-DNVCBOLYSA-N 2 1 297.446 3.695 20 0 CHADMP [NH3+]CCC[N@@H+](CCCCC(F)(F)F)CC1CCCC1 ZINC000420313422 1121999388 /nfs/dbraw/zinc/99/93/88/1121999388.db2.gz JUPAMVGSZHWLSB-UHFFFAOYSA-N 2 1 280.378 3.560 20 0 CHADMP c1ccc2c(c1)cccc2[C@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420328532 1122001174 /nfs/dbraw/zinc/00/11/74/1122001174.db2.gz ZUQLAAMJRWQTAC-OXQOHEQNSA-N 2 1 294.442 3.976 20 0 CHADMP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420378765 1122003898 /nfs/dbraw/zinc/00/38/98/1122003898.db2.gz UOORDZPBVOLOSM-KGLIPLIRSA-N 2 1 295.496 3.567 20 0 CHADMP C([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001181277352 1122046554 /nfs/dbraw/zinc/04/65/54/1122046554.db2.gz XNJOCHRPVWKKKX-LAVFITLUSA-N 2 1 276.468 3.562 20 0 CHADMP C[C@]12C[C@H]1CCC[C@H]2[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000502274480 1122070122 /nfs/dbraw/zinc/07/01/22/1122070122.db2.gz NBWWSPUHPBYYFP-RLLQIKCJSA-N 2 1 298.474 3.819 20 0 CHADMP C([NH2+][C@@H]1CCC12CCC2)[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000502387677 1122078291 /nfs/dbraw/zinc/07/82/91/1122078291.db2.gz BXXJUGDOMGJUGR-DLBZAZTESA-N 2 1 276.468 3.706 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)oc1C ZINC000502412804 1122080830 /nfs/dbraw/zinc/08/08/30/1122080830.db2.gz FJSZLIUFPYAJRG-NVXWUHKLSA-N 2 1 292.467 3.915 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)oc1C ZINC000502412804 1122080834 /nfs/dbraw/zinc/08/08/34/1122080834.db2.gz FJSZLIUFPYAJRG-NVXWUHKLSA-N 2 1 292.467 3.915 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)oc1C ZINC000502412807 1122081334 /nfs/dbraw/zinc/08/13/34/1122081334.db2.gz FJSZLIUFPYAJRG-WBVHZDCISA-N 2 1 292.467 3.915 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)oc1C ZINC000502412807 1122081340 /nfs/dbraw/zinc/08/13/40/1122081340.db2.gz FJSZLIUFPYAJRG-WBVHZDCISA-N 2 1 292.467 3.915 20 0 CHADMP Cc1cc(-n2ccnc2)ccc1C[N@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000429590999 1122108186 /nfs/dbraw/zinc/10/81/86/1122108186.db2.gz PUHSMGQGUXBRJL-RHSMWYFYSA-N 2 1 283.419 3.801 20 0 CHADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC001182174659 1122114418 /nfs/dbraw/zinc/11/44/18/1122114418.db2.gz RADMPHZPGPIKSK-YOEHRIQHSA-N 2 1 296.886 3.979 20 0 CHADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC001182174659 1122114423 /nfs/dbraw/zinc/11/44/23/1122114423.db2.gz RADMPHZPGPIKSK-YOEHRIQHSA-N 2 1 296.886 3.979 20 0 CHADMP CCC(CC)(CC)C[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001182310340 1122136787 /nfs/dbraw/zinc/13/67/87/1122136787.db2.gz XSVBTGUGTNXRDI-UHFFFAOYSA-N 2 1 254.462 3.667 20 0 CHADMP CCC(CC)(CC)C[NH2+]CC[N@H+]1CCCC1(C)C ZINC001182310340 1122136790 /nfs/dbraw/zinc/13/67/90/1122136790.db2.gz XSVBTGUGTNXRDI-UHFFFAOYSA-N 2 1 254.462 3.667 20 0 CHADMP Cc1ccc([C@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)cc1C ZINC000502693816 1122137719 /nfs/dbraw/zinc/13/77/19/1122137719.db2.gz XMKBUYCXKGNKGR-RBUKOAKNSA-N 2 1 286.463 3.925 20 0 CHADMP Cc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)cc1C ZINC000502693816 1122137721 /nfs/dbraw/zinc/13/77/21/1122137721.db2.gz XMKBUYCXKGNKGR-RBUKOAKNSA-N 2 1 286.463 3.925 20 0 CHADMP Cc1ccc([C@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)cc1C ZINC000502693816 1122137724 /nfs/dbraw/zinc/13/77/24/1122137724.db2.gz XMKBUYCXKGNKGR-RBUKOAKNSA-N 2 1 286.463 3.925 20 0 CHADMP C1=C[C@@H]([N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCC1 ZINC000502737499 1122143007 /nfs/dbraw/zinc/14/30/07/1122143007.db2.gz DZFLJHQICGHAGU-ZWKOTPCHSA-N 2 1 276.468 3.683 20 0 CHADMP CC(C)CC[C@H]1CCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000503064602 1122164865 /nfs/dbraw/zinc/16/48/65/1122164865.db2.gz SALMTYUYTHSFKW-DLBZAZTESA-N 2 1 266.473 3.761 20 0 CHADMP CC(C)CC[C@H]1CCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000503064602 1122164866 /nfs/dbraw/zinc/16/48/66/1122164866.db2.gz SALMTYUYTHSFKW-DLBZAZTESA-N 2 1 266.473 3.761 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000271828168 1122177782 /nfs/dbraw/zinc/17/77/82/1122177782.db2.gz IWHYAEMFIVCEBE-GOSISDBHSA-N 2 1 283.419 3.631 20 0 CHADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(Cl)s1 ZINC000271888285 1122181203 /nfs/dbraw/zinc/18/12/03/1122181203.db2.gz RFLVYGVABHBCKY-GFCCVEGCSA-N 2 1 284.856 3.704 20 0 CHADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001182958579 1122197315 /nfs/dbraw/zinc/19/73/15/1122197315.db2.gz BUYAWWLCTUAVSO-INMHGKMJSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001182958579 1122197319 /nfs/dbraw/zinc/19/73/19/1122197319.db2.gz BUYAWWLCTUAVSO-INMHGKMJSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc3ccccc3c2)CC1 ZINC001205263702 1122214964 /nfs/dbraw/zinc/21/49/64/1122214964.db2.gz BQNSMVOGUKAEJS-GOSISDBHSA-N 2 1 268.404 3.543 20 0 CHADMP C([NH2+][C@@H]1CC[C@H]1C1CCC1)[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001183379217 1122222995 /nfs/dbraw/zinc/22/29/95/1122222995.db2.gz KGHWPCBFONGZET-CEXWTWQISA-N 2 1 290.495 3.952 20 0 CHADMP C([NH2+][C@@H]1CC[C@H]1C1CCC1)[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001183379217 1122223001 /nfs/dbraw/zinc/22/30/01/1122223001.db2.gz KGHWPCBFONGZET-CEXWTWQISA-N 2 1 290.495 3.952 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205288152 1122251212 /nfs/dbraw/zinc/25/12/12/1122251212.db2.gz HAIQOMTVXVFLGG-INIZCTEOSA-N 2 1 280.843 3.660 20 0 CHADMP C[N@@H+]([C@@H]1CC[C@](C)(c2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414655376 1122254652 /nfs/dbraw/zinc/25/46/52/1122254652.db2.gz KXBRKYSNIJHKLD-WLWJODDPSA-N 2 1 298.474 3.712 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205295748 1122273189 /nfs/dbraw/zinc/27/31/89/1122273189.db2.gz BOAJNTJZHARPFS-OSNZYPHYSA-N 2 1 266.473 3.820 20 0 CHADMP CC[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccccc1OC ZINC000775077163 1122418161 /nfs/dbraw/zinc/41/81/61/1122418161.db2.gz KIRIHQRCAJANIJ-WBVHZDCISA-N 2 1 290.451 3.610 20 0 CHADMP CC[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccccc1OC ZINC000775077163 1122418164 /nfs/dbraw/zinc/41/81/64/1122418164.db2.gz KIRIHQRCAJANIJ-WBVHZDCISA-N 2 1 290.451 3.610 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1)C1CC1 ZINC000436295789 1122535236 /nfs/dbraw/zinc/53/52/36/1122535236.db2.gz SENTUMZYSSAOTD-IAGOWNOFSA-N 2 1 264.457 3.562 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC(C)(C)CCc3ccccc32)CC1 ZINC000436305508 1122536356 /nfs/dbraw/zinc/53/63/56/1122536356.db2.gz GNILUPXSNCKZJD-LJQANCHMSA-N 2 1 298.474 3.942 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C[C@H]1c1ccccc1 ZINC000414172874 1129061731 /nfs/dbraw/zinc/06/17/31/1129061731.db2.gz FQUDDINMNYXRLG-SPOLIRPYSA-N 2 1 284.447 3.600 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C[C@H]1c1ccccc1 ZINC000414172874 1129061735 /nfs/dbraw/zinc/06/17/35/1129061735.db2.gz FQUDDINMNYXRLG-SPOLIRPYSA-N 2 1 284.447 3.600 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000505821663 1122550133 /nfs/dbraw/zinc/55/01/33/1122550133.db2.gz ZMFFZVWAYWEXND-DBBWNDPISA-N 2 1 284.447 3.649 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000505821663 1122550136 /nfs/dbraw/zinc/55/01/36/1122550136.db2.gz ZMFFZVWAYWEXND-DBBWNDPISA-N 2 1 284.447 3.649 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000505821663 1122550141 /nfs/dbraw/zinc/55/01/41/1122550141.db2.gz ZMFFZVWAYWEXND-DBBWNDPISA-N 2 1 284.447 3.649 20 0 CHADMP CC[C@H](C)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001190652314 1122550605 /nfs/dbraw/zinc/55/06/05/1122550605.db2.gz ZOHACQNJSADUPV-BZSNNMDCSA-N 2 1 280.500 3.865 20 0 CHADMP Cc1oc2ccccc2c1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000925009408 1122563347 /nfs/dbraw/zinc/56/33/47/1122563347.db2.gz HGOJCAPVDYQGDY-UKRRQHHQSA-N 2 1 286.419 3.734 20 0 CHADMP CC[C@H](C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000516099460 1122567822 /nfs/dbraw/zinc/56/78/22/1122567822.db2.gz BHIPUAVXBWXVPA-IAGOWNOFSA-N 2 1 274.452 3.500 20 0 CHADMP C[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)CC(C)(C)C ZINC001191070332 1122568605 /nfs/dbraw/zinc/56/86/05/1122568605.db2.gz KNKPQHFHGSOPHW-SJORKVTESA-N 2 1 280.500 3.867 20 0 CHADMP CC(C)=CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC001191048444 1122571325 /nfs/dbraw/zinc/57/13/25/1122571325.db2.gz OBCIDHVQFFGDGK-ZWKOTPCHSA-N 2 1 278.484 3.929 20 0 CHADMP CC(C)=CCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001191048444 1122571320 /nfs/dbraw/zinc/57/13/20/1122571320.db2.gz OBCIDHVQFFGDGK-ZWKOTPCHSA-N 2 1 278.484 3.929 20 0 CHADMP CC(C)=CCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC001191048444 1122571322 /nfs/dbraw/zinc/57/13/22/1122571322.db2.gz OBCIDHVQFFGDGK-ZWKOTPCHSA-N 2 1 278.484 3.929 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CC3CCC2CC3)C[C@@H]1C ZINC001191416544 1122598895 /nfs/dbraw/zinc/59/88/95/1122598895.db2.gz JUBSQXDQKHLOMB-QUFRXWBVSA-N 2 1 278.484 3.617 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CC3CCC2CC3)C[C@@H]1C ZINC001191416544 1122598897 /nfs/dbraw/zinc/59/88/97/1122598897.db2.gz JUBSQXDQKHLOMB-QUFRXWBVSA-N 2 1 278.484 3.617 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CC3CCC2CC3)C[C@@H]1C ZINC001191416544 1122598902 /nfs/dbraw/zinc/59/89/02/1122598902.db2.gz JUBSQXDQKHLOMB-QUFRXWBVSA-N 2 1 278.484 3.617 20 0 CHADMP C[C@@H](C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)C1CCCCC1 ZINC001191443917 1122600024 /nfs/dbraw/zinc/60/00/24/1122600024.db2.gz HAIIESVOKOVPKM-FUHWJXTLSA-N 2 1 292.511 3.867 20 0 CHADMP C[C@@H](C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)C1CCCCC1 ZINC001191443917 1122600029 /nfs/dbraw/zinc/60/00/29/1122600029.db2.gz HAIIESVOKOVPKM-FUHWJXTLSA-N 2 1 292.511 3.867 20 0 CHADMP C[C@@H](C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)C1CCCCC1 ZINC001191443917 1122600032 /nfs/dbraw/zinc/60/00/32/1122600032.db2.gz HAIIESVOKOVPKM-FUHWJXTLSA-N 2 1 292.511 3.867 20 0 CHADMP Cc1cc(C)c(C[N@H+](C(C)C)C2CCN(C)CC2)c(C)c1 ZINC001203740836 1122605650 /nfs/dbraw/zinc/60/56/50/1122605650.db2.gz KMTWQMTXKVITJP-UHFFFAOYSA-N 2 1 288.479 3.916 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167962031 1122632819 /nfs/dbraw/zinc/63/28/19/1122632819.db2.gz SNWVWBVTEMCMAT-HHAVVXDTSA-N 2 1 276.468 3.560 20 0 CHADMP CC(C)c1ccc(CC[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1 ZINC001205602523 1122649372 /nfs/dbraw/zinc/64/93/72/1122649372.db2.gz JDVSJBWYVRGXJL-LPHOPBHVSA-N 2 1 288.479 3.659 20 0 CHADMP C[C@H]1CC[N@@H+](CCCC2CCCCC2)CC[C@H]1C[NH3+] ZINC001205602790 1122650592 /nfs/dbraw/zinc/65/05/92/1122650592.db2.gz MKQPDGVCIRMJDS-RDJZCZTQSA-N 2 1 266.473 3.654 20 0 CHADMP CCCC[C@H](CC)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205602756 1122650936 /nfs/dbraw/zinc/65/09/36/1122650936.db2.gz MESPQXBKSYCFRF-HRCADAONSA-N 2 1 254.462 3.510 20 0 CHADMP CC(C)CC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccoc1 ZINC000425917219 1122659884 /nfs/dbraw/zinc/65/98/84/1122659884.db2.gz GLLZDZMXVRZJIX-GOEBONIOSA-N 2 1 266.429 3.544 20 0 CHADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(C)c(F)c1 ZINC001192908960 1122661844 /nfs/dbraw/zinc/66/18/44/1122661844.db2.gz AQWSXOPMKNWYHK-QGZVFWFLSA-N 2 1 289.398 3.770 20 0 CHADMP Cc1cc2cc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)oc2cc1C ZINC000425935343 1122662824 /nfs/dbraw/zinc/66/28/24/1122662824.db2.gz CYEFKKDRMSMBMX-IUODEOHRSA-N 2 1 288.435 3.898 20 0 CHADMP C[C@H](C[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1)C[NH+](C)C ZINC000425947213 1122675976 /nfs/dbraw/zinc/67/59/76/1122675976.db2.gz RQTWKKWQFBPTSW-MNOVXSKESA-N 2 1 289.250 3.842 20 0 CHADMP CCSc1ccccc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC001193392860 1122688583 /nfs/dbraw/zinc/68/85/83/1122688583.db2.gz NQAGDWWFKJCICQ-INIZCTEOSA-N 2 1 292.492 3.715 20 0 CHADMP CCSc1ccccc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC001193392860 1122688587 /nfs/dbraw/zinc/68/85/87/1122688587.db2.gz NQAGDWWFKJCICQ-INIZCTEOSA-N 2 1 292.492 3.715 20 0 CHADMP CC(C)c1ccccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205637441 1122699308 /nfs/dbraw/zinc/69/93/08/1122699308.db2.gz HDTYEZROCQFPEB-HOTGVXAUSA-N 2 1 274.452 3.617 20 0 CHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccco1 ZINC000153590069 1129072573 /nfs/dbraw/zinc/07/25/73/1129072573.db2.gz JJJGJBXJKXGPHY-HZPDHXFCSA-N 2 1 298.430 3.526 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc3ccccc3[nH]2)C1 ZINC000775626779 1122829862 /nfs/dbraw/zinc/82/98/62/1122829862.db2.gz JNDOUINVPDDDOB-JKSUJKDBSA-N 2 1 299.462 3.939 20 0 CHADMP Cc1cc(F)ccc1[C@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC001195124185 1122846637 /nfs/dbraw/zinc/84/66/37/1122846637.db2.gz SSUWIPFTLKDYIL-SJLPKXTDSA-N 2 1 290.426 3.755 20 0 CHADMP Cc1cc(F)ccc1[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC001195124185 1122846643 /nfs/dbraw/zinc/84/66/43/1122846643.db2.gz SSUWIPFTLKDYIL-SJLPKXTDSA-N 2 1 290.426 3.755 20 0 CHADMP Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC001195124185 1122846649 /nfs/dbraw/zinc/84/66/49/1122846649.db2.gz SSUWIPFTLKDYIL-SJLPKXTDSA-N 2 1 290.426 3.755 20 0 CHADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CCCCCC1 ZINC001167971208 1122861414 /nfs/dbraw/zinc/86/14/14/1122861414.db2.gz SMYLHDQFIQSJRZ-YQQQUEKLSA-N 2 1 290.495 3.952 20 0 CHADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC13CCCCC3)C2 ZINC001167973891 1122872670 /nfs/dbraw/zinc/87/26/70/1122872670.db2.gz QDBLXLQNLDTNLF-FBVQUNGASA-N 2 1 288.479 3.704 20 0 CHADMP C[C@H]1CCC[C@H](C)[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981677 1122896603 /nfs/dbraw/zinc/89/66/03/1122896603.db2.gz DXAWVZRGGNWNKI-KSTANIPCSA-N 2 1 276.468 3.655 20 0 CHADMP C[N@@H+](CCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167982099 1122900090 /nfs/dbraw/zinc/90/00/90/1122900090.db2.gz XANMTMPVUREVRW-YOFSQIOKSA-N 2 1 298.474 3.566 20 0 CHADMP C[NH+](CCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167982099 1122900096 /nfs/dbraw/zinc/90/00/96/1122900096.db2.gz XANMTMPVUREVRW-YOFSQIOKSA-N 2 1 298.474 3.566 20 0 CHADMP C[NH+](CCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167982099 1122900101 /nfs/dbraw/zinc/90/01/01/1122900101.db2.gz XANMTMPVUREVRW-YOFSQIOKSA-N 2 1 298.474 3.566 20 0 CHADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2[C@H]2C=CCCC2)CC1 ZINC001196936131 1122940550 /nfs/dbraw/zinc/94/05/50/1122940550.db2.gz PYTIUGZNYKESQD-ZWKOTPCHSA-N 2 1 276.468 3.682 20 0 CHADMP c1cc(-c2ccccc2)sc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427131930 1122944790 /nfs/dbraw/zinc/94/47/90/1122944790.db2.gz XBBCXZGQTAHGKK-WBVHZDCISA-N 2 1 298.455 3.599 20 0 CHADMP c1cc(-c2ccccc2)sc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427131930 1122944792 /nfs/dbraw/zinc/94/47/92/1122944792.db2.gz XBBCXZGQTAHGKK-WBVHZDCISA-N 2 1 298.455 3.599 20 0 CHADMP CCC(CC)[C@H](C[NH2+]C1C[C@H](C)C[C@@H](C)C1)[NH+](C)C ZINC000219316752 1122949344 /nfs/dbraw/zinc/94/93/44/1122949344.db2.gz JFYCKTJOMHSZFU-CPUCHLNUSA-N 2 1 268.489 3.767 20 0 CHADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)[C@H]1c1ccccc1 ZINC001197658233 1122963685 /nfs/dbraw/zinc/96/36/85/1122963685.db2.gz FAZRKSPXGRZRPN-KBAYOESNSA-N 2 1 272.436 3.554 20 0 CHADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)[C@H]1c1ccccc1 ZINC001197658233 1122963689 /nfs/dbraw/zinc/96/36/89/1122963689.db2.gz FAZRKSPXGRZRPN-KBAYOESNSA-N 2 1 272.436 3.554 20 0 CHADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)[C@H]1c1ccccc1 ZINC001197658233 1122963692 /nfs/dbraw/zinc/96/36/92/1122963692.db2.gz FAZRKSPXGRZRPN-KBAYOESNSA-N 2 1 272.436 3.554 20 0 CHADMP C[C@H](C[N@H+]1CCC2(C1)CC[NH2+]CC2)c1cccc(Cl)c1 ZINC000262071213 1122971504 /nfs/dbraw/zinc/97/15/04/1122971504.db2.gz SBMFBPZLLNRUJD-CQSZACIVSA-N 2 1 292.854 3.519 20 0 CHADMP CCC[C@H](C)CCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001197931066 1122973795 /nfs/dbraw/zinc/97/37/95/1122973795.db2.gz UXFZCQTVRBSLEJ-DLBZAZTESA-N 2 1 289.467 3.809 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205826771 1122980520 /nfs/dbraw/zinc/98/05/20/1122980520.db2.gz BNIWQKYPXFTXIA-OCCSQVGLSA-N 2 1 288.460 3.769 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205826771 1122980523 /nfs/dbraw/zinc/98/05/23/1122980523.db2.gz BNIWQKYPXFTXIA-OCCSQVGLSA-N 2 1 288.460 3.769 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(CC(C)C)cc1 ZINC000343155805 1122990139 /nfs/dbraw/zinc/99/01/39/1122990139.db2.gz WCKOWSJBGYBZPY-MRXNPFEDSA-N 2 1 299.462 3.816 20 0 CHADMP C[C@@H](C[NH2+]C[C@H](C1CC1)[NH+](C)C)CC1CCCCC1 ZINC001199420549 1123028884 /nfs/dbraw/zinc/02/88/84/1123028884.db2.gz NUUDRYJYPAKSBV-RHSMWYFYSA-N 2 1 266.473 3.523 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC2CCCCCCC2)CC1(C)C ZINC001199471948 1123029911 /nfs/dbraw/zinc/02/99/11/1123029911.db2.gz AZFYJHGDLOWLRD-INIZCTEOSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]CC2CCCCC2)C1 ZINC001199732269 1123037225 /nfs/dbraw/zinc/03/72/25/1123037225.db2.gz GSAWQAKLHIOOOU-HNNXBMFYSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]CC2CCCCC2)C1 ZINC001199732269 1123037230 /nfs/dbraw/zinc/03/72/30/1123037230.db2.gz GSAWQAKLHIOOOU-HNNXBMFYSA-N 2 1 266.473 3.667 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)s1 ZINC000164706484 1123049916 /nfs/dbraw/zinc/04/99/16/1123049916.db2.gz CCSFOLCKZLGNDA-ZDUSSCGKSA-N 2 1 291.464 3.946 20 0 CHADMP Cc1cc(C)cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000441371938 1123082490 /nfs/dbraw/zinc/08/24/90/1123082490.db2.gz NSBNTAFDDBINMT-GOSISDBHSA-N 2 1 274.452 3.610 20 0 CHADMP Cc1cc(C)cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000441371938 1123082496 /nfs/dbraw/zinc/08/24/96/1123082496.db2.gz NSBNTAFDDBINMT-GOSISDBHSA-N 2 1 274.452 3.610 20 0 CHADMP Cc1cc(C)cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000441371938 1123082501 /nfs/dbraw/zinc/08/25/01/1123082501.db2.gz NSBNTAFDDBINMT-GOSISDBHSA-N 2 1 274.452 3.610 20 0 CHADMP C(CC1CCCC1)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441400338 1123085482 /nfs/dbraw/zinc/08/54/82/1123085482.db2.gz KURKZOMPEYRTPL-IEBWSBKVSA-N 2 1 290.495 3.906 20 0 CHADMP C(CC1CCCC1)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441400338 1123085484 /nfs/dbraw/zinc/08/54/84/1123085484.db2.gz KURKZOMPEYRTPL-IEBWSBKVSA-N 2 1 290.495 3.906 20 0 CHADMP C(CC1CCCC1)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441400338 1123085488 /nfs/dbraw/zinc/08/54/88/1123085488.db2.gz KURKZOMPEYRTPL-IEBWSBKVSA-N 2 1 290.495 3.906 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C[C@@H]1CC=CCC1 ZINC001201423674 1123098425 /nfs/dbraw/zinc/09/84/25/1123098425.db2.gz RKHFGWQSRIHNPJ-FGTMMUONSA-N 2 1 276.468 3.682 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C[C@@H]1CC=CCC1 ZINC001201423674 1123098429 /nfs/dbraw/zinc/09/84/29/1123098429.db2.gz RKHFGWQSRIHNPJ-FGTMMUONSA-N 2 1 276.468 3.682 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1C[C@@H]1CC=CCC1 ZINC001201423674 1123098433 /nfs/dbraw/zinc/09/84/33/1123098433.db2.gz RKHFGWQSRIHNPJ-FGTMMUONSA-N 2 1 276.468 3.682 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)C[C@H]2CC=CCC2)CC1 ZINC001201426063 1123098705 /nfs/dbraw/zinc/09/87/05/1123098705.db2.gz BDRVINWYQDFMJR-INIZCTEOSA-N 2 1 264.457 3.539 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C[C@@H]1CC=CCC1 ZINC001201423746 1123098879 /nfs/dbraw/zinc/09/88/79/1123098879.db2.gz RKHFGWQSRIHNPJ-SQNIBIBYSA-N 2 1 276.468 3.682 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C[C@@H]1CC=CCC1 ZINC001201423746 1123098883 /nfs/dbraw/zinc/09/88/83/1123098883.db2.gz RKHFGWQSRIHNPJ-SQNIBIBYSA-N 2 1 276.468 3.682 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C[C@@H]1CC=CCC1 ZINC001201423746 1123098886 /nfs/dbraw/zinc/09/88/86/1123098886.db2.gz RKHFGWQSRIHNPJ-SQNIBIBYSA-N 2 1 276.468 3.682 20 0 CHADMP CC(C)C[NH+]1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001201467874 1123103362 /nfs/dbraw/zinc/10/33/62/1123103362.db2.gz ADZCPXSENPURAT-QGZVFWFLSA-N 2 1 290.451 3.612 20 0 CHADMP CC1(C)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167995394 1123105354 /nfs/dbraw/zinc/10/53/54/1123105354.db2.gz DIVLIQMOWMRISJ-SJPCQFCGSA-N 2 1 276.468 3.514 20 0 CHADMP CCC[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001201638397 1123129941 /nfs/dbraw/zinc/12/99/41/1123129941.db2.gz NGYUTHQTLZELPM-BHYGNILZSA-N 2 1 292.492 3.690 20 0 CHADMP CCC[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001201638399 1123130177 /nfs/dbraw/zinc/13/01/77/1123130177.db2.gz NGYUTHQTLZELPM-USXIJHARSA-N 2 1 292.492 3.690 20 0 CHADMP CC(C)(C)CC[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001202065023 1123171004 /nfs/dbraw/zinc/17/10/04/1123171004.db2.gz HFRFKJCRPAXIEH-GASCZTMLSA-N 2 1 292.492 3.548 20 0 CHADMP CC(C)(C)CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001202065023 1123171009 /nfs/dbraw/zinc/17/10/09/1123171009.db2.gz HFRFKJCRPAXIEH-GASCZTMLSA-N 2 1 292.492 3.548 20 0 CHADMP CC(C)(C)CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001202065023 1123171011 /nfs/dbraw/zinc/17/10/11/1123171011.db2.gz HFRFKJCRPAXIEH-GASCZTMLSA-N 2 1 292.492 3.548 20 0 CHADMP CC(C)(C)CC[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001202065023 1123171014 /nfs/dbraw/zinc/17/10/14/1123171014.db2.gz HFRFKJCRPAXIEH-GASCZTMLSA-N 2 1 292.492 3.548 20 0 CHADMP CN1CCC([N@@H+](CCC(C)(C)C)C2CCCC2)CC1 ZINC001202114678 1123175412 /nfs/dbraw/zinc/17/54/12/1123175412.db2.gz FOYUMBSDHBAWQH-UHFFFAOYSA-N 2 1 266.473 3.761 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1CCC(C)(C)C ZINC001202096768 1123175598 /nfs/dbraw/zinc/17/55/98/1123175598.db2.gz ROSXROUIPYGBEB-JKSUJKDBSA-N 2 1 266.473 3.761 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CCC(C)(C)C ZINC001202096768 1123175599 /nfs/dbraw/zinc/17/55/99/1123175599.db2.gz ROSXROUIPYGBEB-JKSUJKDBSA-N 2 1 266.473 3.761 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1CCC(C)(C)C ZINC001202096768 1123175602 /nfs/dbraw/zinc/17/56/02/1123175602.db2.gz ROSXROUIPYGBEB-JKSUJKDBSA-N 2 1 266.473 3.761 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](c2ccc(C)cc2)C2CCC2)CC1 ZINC000427605889 1123187737 /nfs/dbraw/zinc/18/77/37/1123187737.db2.gz DZMYYSJYQZYUEM-LJQANCHMSA-N 2 1 286.463 3.910 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](c2ccc(C)cc2)C2CCC2)CC1 ZINC000427605888 1123188217 /nfs/dbraw/zinc/18/82/17/1123188217.db2.gz DZMYYSJYQZYUEM-IBGZPJMESA-N 2 1 286.463 3.910 20 0 CHADMP C[C@@H]1C[C@H]1C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168004989 1123191513 /nfs/dbraw/zinc/19/15/13/1123191513.db2.gz DBVKMTLIHFNAKK-RFXPCRSYSA-N 2 1 286.463 3.674 20 0 CHADMP CC[C@H](C)C[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000520778883 1123232738 /nfs/dbraw/zinc/23/27/38/1123232738.db2.gz YIMDFYIOFRSNCT-HNNXBMFYSA-N 2 1 262.441 3.616 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C2CCC2)cc1 ZINC000427691177 1123242194 /nfs/dbraw/zinc/24/21/94/1123242194.db2.gz SSKPJXKXSUVHII-KFKAGJAMSA-N 2 1 286.463 3.909 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C2CCC2)cc1 ZINC000427691177 1123242196 /nfs/dbraw/zinc/24/21/96/1123242196.db2.gz SSKPJXKXSUVHII-KFKAGJAMSA-N 2 1 286.463 3.909 20 0 CHADMP CC(C)CC[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccoc1 ZINC000665246912 1123253865 /nfs/dbraw/zinc/25/38/65/1123253865.db2.gz RFHVFOAOMFMFLN-OAHLLOKOSA-N 2 1 264.413 3.618 20 0 CHADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665249390 1123263960 /nfs/dbraw/zinc/26/39/60/1123263960.db2.gz PMORKYKQMXSNNS-NSHDSACASA-N 2 1 295.496 3.671 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC000311570773 1129110311 /nfs/dbraw/zinc/11/03/11/1129110311.db2.gz MJYAMUQSLJSADO-MRXNPFEDSA-N 2 1 266.473 3.523 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@@H]([NH3+])c3ccccc31)[C@H](C)C2 ZINC000665272933 1123302191 /nfs/dbraw/zinc/30/21/91/1123302191.db2.gz NRUAFJKQWUNVLY-YFMMTPMMSA-N 2 1 292.426 3.963 20 0 CHADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(Cl)cc1 ZINC000271842535 1129115954 /nfs/dbraw/zinc/11/59/54/1129115954.db2.gz HCQHDBYKBLAAHU-INIZCTEOSA-N 2 1 278.827 3.643 20 0 CHADMP Cc1ccoc1CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272211126 1129117525 /nfs/dbraw/zinc/11/75/25/1129117525.db2.gz QEPDLXNGXKXEMA-FUHWJXTLSA-N 2 1 298.430 3.588 20 0 CHADMP Cc1ccoc1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272211126 1129117529 /nfs/dbraw/zinc/11/75/29/1129117529.db2.gz QEPDLXNGXKXEMA-FUHWJXTLSA-N 2 1 298.430 3.588 20 0 CHADMP Cc1ccoc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272211126 1129117532 /nfs/dbraw/zinc/11/75/32/1129117532.db2.gz QEPDLXNGXKXEMA-FUHWJXTLSA-N 2 1 298.430 3.588 20 0 CHADMP Cc1ccoc1CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272211124 1129117678 /nfs/dbraw/zinc/11/76/78/1129117678.db2.gz QEPDLXNGXKXEMA-AEFFLSMTSA-N 2 1 298.430 3.588 20 0 CHADMP Cc1ccoc1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272211124 1129117681 /nfs/dbraw/zinc/11/76/81/1129117681.db2.gz QEPDLXNGXKXEMA-AEFFLSMTSA-N 2 1 298.430 3.588 20 0 CHADMP Cc1ccoc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272211124 1129117684 /nfs/dbraw/zinc/11/76/84/1129117684.db2.gz QEPDLXNGXKXEMA-AEFFLSMTSA-N 2 1 298.430 3.588 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+](CC=C(Cl)Cl)CC1 ZINC000851731454 1123376112 /nfs/dbraw/zinc/37/61/12/1123376112.db2.gz RAZHLWSZBAUKHN-UHFFFAOYSA-N 2 1 293.282 3.749 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1ccco1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272370094 1129118498 /nfs/dbraw/zinc/11/84/98/1129118498.db2.gz UPJOWMSBPGICKE-SOLBZPMBSA-N 2 1 298.430 3.841 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1ccco1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272370094 1129118502 /nfs/dbraw/zinc/11/85/02/1129118502.db2.gz UPJOWMSBPGICKE-SOLBZPMBSA-N 2 1 298.430 3.841 20 0 CHADMP CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](CCC)C1)c1ccsc1 ZINC000191215675 1123397978 /nfs/dbraw/zinc/39/79/78/1123397978.db2.gz QOBVXISGHKQCFB-ZBFHGGJFSA-N 2 1 280.481 3.911 20 0 CHADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H]1CCC12CCCC2 ZINC000474065841 1123409555 /nfs/dbraw/zinc/40/95/55/1123409555.db2.gz ZSHUCJJLFLGQRA-HZPDHXFCSA-N 2 1 264.457 3.563 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000052206069 1123478481 /nfs/dbraw/zinc/47/84/81/1123478481.db2.gz DKPIMGYYESEQSJ-DOTOQJQBSA-N 2 1 260.425 3.520 20 0 CHADMP CC(C)C[C@H](C[N@H+]1CC[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000474277478 1123500396 /nfs/dbraw/zinc/50/03/96/1123500396.db2.gz SYQMHLRIYPZEAR-PKOBYXMFSA-N 2 1 288.479 3.700 20 0 CHADMP Cc1cc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(F)cc1F ZINC001206599405 1129126053 /nfs/dbraw/zinc/12/60/53/1129126053.db2.gz SASYQAMOOREUNC-HNNXBMFYSA-N 2 1 296.405 3.626 20 0 CHADMP Cc1cc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(F)cc1F ZINC001206599405 1129126055 /nfs/dbraw/zinc/12/60/55/1129126055.db2.gz SASYQAMOOREUNC-HNNXBMFYSA-N 2 1 296.405 3.626 20 0 CHADMP CCC1(CC)CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000474432536 1123529354 /nfs/dbraw/zinc/52/93/54/1123529354.db2.gz QWDYGCXGPOMEPP-SJORKVTESA-N 2 1 278.484 3.952 20 0 CHADMP CCCC[C@@H](CC)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429524784 1123537787 /nfs/dbraw/zinc/53/77/87/1123537787.db2.gz AYNAHWMKXDBQGS-HZPDHXFCSA-N 2 1 254.462 3.619 20 0 CHADMP C[C@@H]1CC([NH+]2CCCCC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039177 1123559147 /nfs/dbraw/zinc/55/91/47/1123559147.db2.gz BRDJALROAXHPOR-IAGOWNOFSA-N 2 1 286.463 3.914 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@H+](CCCc2ccccc2Cl)CC1 ZINC000429536930 1123564816 /nfs/dbraw/zinc/56/48/16/1123564816.db2.gz LMJGXUMCUMVYDX-INIZCTEOSA-N 2 1 294.870 3.689 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@@H+](CCCc2ccccc2Cl)CC1 ZINC000429536930 1123564822 /nfs/dbraw/zinc/56/48/22/1123564822.db2.gz LMJGXUMCUMVYDX-INIZCTEOSA-N 2 1 294.870 3.689 20 0 CHADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000474710300 1123575818 /nfs/dbraw/zinc/57/58/18/1123575818.db2.gz IVPZWGCTLWWHRW-KZNAEPCWSA-N 2 1 280.500 3.911 20 0 CHADMP C[C@@H]1CC([N@H+](C)C2CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041624 1123587329 /nfs/dbraw/zinc/58/73/29/1123587329.db2.gz ULAMTMUKGVPHIB-HUUCEWRRSA-N 2 1 272.436 3.522 20 0 CHADMP C[C@@H]1CC([N@@H+](C)C2CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041624 1123587334 /nfs/dbraw/zinc/58/73/34/1123587334.db2.gz ULAMTMUKGVPHIB-HUUCEWRRSA-N 2 1 272.436 3.522 20 0 CHADMP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000639375032 1123590186 /nfs/dbraw/zinc/59/01/86/1123590186.db2.gz OCJVFQFONNHYPN-UHFFFAOYSA-N 2 1 297.446 3.618 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474816600 1123593304 /nfs/dbraw/zinc/59/33/04/1123593304.db2.gz LXECTYWJONGRCA-QDEZUTFSSA-N 2 1 294.870 3.904 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474816600 1123593308 /nfs/dbraw/zinc/59/33/08/1123593308.db2.gz LXECTYWJONGRCA-QDEZUTFSSA-N 2 1 294.870 3.904 20 0 CHADMP CCC1([NH+](C)C)CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000639380354 1123609609 /nfs/dbraw/zinc/60/96/09/1123609609.db2.gz XTORZJDSNFMVPG-UHFFFAOYSA-N 2 1 297.446 3.541 20 0 CHADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858098071 1123631165 /nfs/dbraw/zinc/63/11/65/1123631165.db2.gz GELORNLOSSXYIE-UKRRQHHQSA-N 2 1 294.870 3.733 20 0 CHADMP CC(C)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000157951935 1129134786 /nfs/dbraw/zinc/13/47/86/1129134786.db2.gz QBMYQMKGTVDTBU-NVXWUHKLSA-N 2 1 266.473 3.523 20 0 CHADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000389354868 1123639609 /nfs/dbraw/zinc/63/96/09/1123639609.db2.gz TZYRBSXRNQDPBR-CGTJXYLNSA-N 2 1 272.436 3.520 20 0 CHADMP C[C@H](C[NH2+]C(C)(C)C[NH+]1CCCC1)C1CCCCC1 ZINC000308612161 1123645881 /nfs/dbraw/zinc/64/58/81/1123645881.db2.gz AKCMBTRRVCMIGU-OAHLLOKOSA-N 2 1 266.473 3.667 20 0 CHADMP CC1(C)CCC[C@@H]1[N@@H+](CCn1ccnc1)Cc1ccccc1 ZINC000346310755 1123679418 /nfs/dbraw/zinc/67/94/18/1123679418.db2.gz NORHBFOXHQRKEU-SFHVURJKSA-N 2 1 297.446 3.964 20 0 CHADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000346692907 1123706638 /nfs/dbraw/zinc/70/66/38/1123706638.db2.gz JRRQVRLEUOPGQQ-LJQANCHMSA-N 2 1 297.446 3.554 20 0 CHADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000655698851 1123754859 /nfs/dbraw/zinc/75/48/59/1123754859.db2.gz XWYYZILNAFUMPY-SFHVURJKSA-N 2 1 284.447 3.507 20 0 CHADMP Cc1ccccc1-c1cccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000469861765 1123766786 /nfs/dbraw/zinc/76/67/86/1123766786.db2.gz XZXLGYOPVOTGBF-SJLPKXTDSA-N 2 1 294.442 3.831 20 0 CHADMP C[C@@H](C[NH2+]Cc1ccc(Cl)c(F)c1)C[NH+]1CCCCC1 ZINC000043389916 1123804861 /nfs/dbraw/zinc/80/48/61/1123804861.db2.gz QJCOKNVEUVNLQS-ZDUSSCGKSA-N 2 1 298.833 3.691 20 0 CHADMP C[C@H](C[N@H+]1CCC[C@H](c2ncc[nH]2)C1)C1CCCCC1 ZINC000339037525 1123808473 /nfs/dbraw/zinc/80/84/73/1123808473.db2.gz NCANJIGSWBFTJF-ZBFHGGJFSA-N 2 1 275.440 3.806 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3C3CC3)C2)cc1 ZINC000475286735 1123835160 /nfs/dbraw/zinc/83/51/60/1123835160.db2.gz LOIDCWXKVBLPSD-MISYRCLQSA-N 2 1 298.474 3.677 20 0 CHADMP C[C@H](C[NH+]1CCCCC1)Nc1cc[nH+]c2cc(F)ccc12 ZINC000301518964 1123907535 /nfs/dbraw/zinc/90/75/35/1123907535.db2.gz KRSVYBCEHDGWSE-CYBMUJFWSA-N 2 1 287.382 3.660 20 0 CHADMP Cc1ccc([C@H](CNc2cc[nH+]cc2Cl)[NH+](C)C)cc1 ZINC000301554806 1123912087 /nfs/dbraw/zinc/91/20/87/1123912087.db2.gz ZJYGCUAFRLJGNY-INIZCTEOSA-N 2 1 289.810 3.758 20 0 CHADMP CC[NH+](CC)Cc1ccccc1CNc1cc(C)cc[nH+]1 ZINC000301634920 1123919237 /nfs/dbraw/zinc/91/92/37/1123919237.db2.gz KVOFFSBFTIIYAZ-UHFFFAOYSA-N 2 1 283.419 3.844 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158909650 1129154524 /nfs/dbraw/zinc/15/45/24/1129154524.db2.gz ILFAYQSMQUGSKZ-FRFSOERESA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158909650 1129154528 /nfs/dbraw/zinc/15/45/28/1129154528.db2.gz ILFAYQSMQUGSKZ-FRFSOERESA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158909650 1129154531 /nfs/dbraw/zinc/15/45/31/1129154531.db2.gz ILFAYQSMQUGSKZ-FRFSOERESA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158909650 1129154532 /nfs/dbraw/zinc/15/45/32/1129154532.db2.gz ILFAYQSMQUGSKZ-FRFSOERESA-N 2 1 292.854 3.817 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CC(C)(C)c2ccccc2)C1 ZINC000037644505 1129154817 /nfs/dbraw/zinc/15/48/17/1129154817.db2.gz YYVXTJHGSQVJDT-DLBZAZTESA-N 2 1 288.479 3.674 20 0 CHADMP CCc1cc(NC[C@@H]2CCC[N@@H+](C)C2)c2ccccc2[nH+]1 ZINC000302004078 1123949261 /nfs/dbraw/zinc/94/92/61/1123949261.db2.gz YWFGHCRCBNNRSS-AWEZNQCLSA-N 2 1 283.419 3.551 20 0 CHADMP Cc1[nH+]c2ccccc2c(NC[C@H]2CCC[N@H+](C)C2)c1C ZINC000302057352 1123952755 /nfs/dbraw/zinc/95/27/55/1123952755.db2.gz BFVAIHRVAYCYOG-OAHLLOKOSA-N 2 1 283.419 3.605 20 0 CHADMP CC(C)CC[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000444601814 1124044968 /nfs/dbraw/zinc/04/49/68/1124044968.db2.gz ZQLADNOPHCAHAI-KRWDZBQOSA-N 2 1 266.473 3.763 20 0 CHADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000444602024 1124045714 /nfs/dbraw/zinc/04/57/14/1124045714.db2.gz YBRATHXTASRITP-IRXDYDNUSA-N 2 1 266.473 3.763 20 0 CHADMP C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000445354715 1124081394 /nfs/dbraw/zinc/08/13/94/1124081394.db2.gz TXBFXRGKMXNPPJ-DLBZAZTESA-N 2 1 298.474 3.654 20 0 CHADMP Cc1coc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000718028567 1129165491 /nfs/dbraw/zinc/16/54/91/1129165491.db2.gz BYIRHAAAPQIZMA-FUHWJXTLSA-N 2 1 298.430 3.588 20 0 CHADMP Cc1coc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000718028567 1129165492 /nfs/dbraw/zinc/16/54/92/1129165492.db2.gz BYIRHAAAPQIZMA-FUHWJXTLSA-N 2 1 298.430 3.588 20 0 CHADMP CCc1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000445809181 1124102013 /nfs/dbraw/zinc/10/20/13/1124102013.db2.gz FWWGLDQNEZGJQD-ICSRJNTNSA-N 2 1 298.474 3.698 20 0 CHADMP CCc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000445809181 1124102014 /nfs/dbraw/zinc/10/20/14/1124102014.db2.gz FWWGLDQNEZGJQD-ICSRJNTNSA-N 2 1 298.474 3.698 20 0 CHADMP CCc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000445809181 1124102015 /nfs/dbraw/zinc/10/20/15/1124102015.db2.gz FWWGLDQNEZGJQD-ICSRJNTNSA-N 2 1 298.474 3.698 20 0 CHADMP CCc1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000445812976 1124102105 /nfs/dbraw/zinc/10/21/05/1124102105.db2.gz AXXJDPBYBFBOBQ-QGZVFWFLSA-N 2 1 286.463 3.557 20 0 CHADMP CC(C)[C@H](C[NH2+]C1CCCCC1)[NH+]1CCC(C)CC1 ZINC000525180928 1124117111 /nfs/dbraw/zinc/11/71/11/1124117111.db2.gz KVJRXTQQSCASHH-KRWDZBQOSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@@H](CC1CCCCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000447058552 1124131335 /nfs/dbraw/zinc/13/13/35/1124131335.db2.gz UROLOEPFRDYNNB-UAGQMJEPSA-N 2 1 264.457 3.562 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000621401653 1129173392 /nfs/dbraw/zinc/17/33/92/1129173392.db2.gz GIUUFQZNYTYTMY-HNNXBMFYSA-N 2 1 299.409 3.775 20 0 CHADMP CCCc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000621361571 1129172347 /nfs/dbraw/zinc/17/23/47/1129172347.db2.gz CAQZHOFGEDTEKY-AWEZNQCLSA-N 2 1 280.481 3.522 20 0 CHADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@@H]2CCCc3occc32)C1 ZINC000447553436 1124483409 /nfs/dbraw/zinc/48/34/09/1124483409.db2.gz WNDVNIGJSONBME-BFYDXBDKSA-N 2 1 290.451 3.615 20 0 CHADMP CC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000447573107 1124488583 /nfs/dbraw/zinc/48/85/83/1124488583.db2.gz FUFCPAYIINXSJY-BCDXTJNWSA-N 2 1 284.447 3.572 20 0 CHADMP CCc1ccccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000526084398 1124506204 /nfs/dbraw/zinc/50/62/04/1124506204.db2.gz LRVMXFVJLHDBNG-LJQANCHMSA-N 2 1 286.463 3.699 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](C)c2ccc(F)cc2)C1 ZINC000526118970 1124511440 /nfs/dbraw/zinc/51/14/40/1124511440.db2.gz BYFRQMNAFSGTPR-HOTGVXAUSA-N 2 1 292.442 3.639 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2CC3(CCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000448063995 1124561076 /nfs/dbraw/zinc/56/10/76/1124561076.db2.gz MNHHLECLMRSKOA-FUHWJXTLSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2CC3(CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000448063995 1124561079 /nfs/dbraw/zinc/56/10/79/1124561079.db2.gz MNHHLECLMRSKOA-FUHWJXTLSA-N 2 1 298.474 3.962 20 0 CHADMP CC(C)CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000449086514 1124644511 /nfs/dbraw/zinc/64/45/11/1124644511.db2.gz BWNVSMWOYSPAOL-XMTFNYHQSA-N 2 1 278.484 3.808 20 0 CHADMP c1ccc2c(c1)CCCC[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000872025585 1124659069 /nfs/dbraw/zinc/65/90/69/1124659069.db2.gz PLRTZADUMWXAQU-XUVXKRRUSA-N 2 1 298.474 3.541 20 0 CHADMP C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000528439829 1124666885 /nfs/dbraw/zinc/66/68/85/1124666885.db2.gz IWYCXAUMWLMRHY-GDBMZVCRSA-N 2 1 278.484 3.665 20 0 CHADMP C[C@@H](Cc1ccoc1)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000449302798 1124686736 /nfs/dbraw/zinc/68/67/36/1124686736.db2.gz WEGORMSDMBWEFD-MAUKXSAKSA-N 2 1 290.451 3.597 20 0 CHADMP Cc1ccc(C[N@@H+](CCCc2c[nH+]cn2C)C(C)(C)C)cc1 ZINC000528591777 1124709949 /nfs/dbraw/zinc/70/99/49/1124709949.db2.gz JYEQTPJHAZZRED-UHFFFAOYSA-N 2 1 299.462 3.962 20 0 CHADMP Cc1ccc(C[N@H+](CCCc2c[nH+]cn2C)C(C)(C)C)cc1 ZINC000528591777 1124709954 /nfs/dbraw/zinc/70/99/54/1124709954.db2.gz JYEQTPJHAZZRED-UHFFFAOYSA-N 2 1 299.462 3.962 20 0 CHADMP CC/C=C\C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000449463400 1124758864 /nfs/dbraw/zinc/75/88/64/1124758864.db2.gz WWHVNXLCWDPOAN-GEXIGZQTSA-N 2 1 269.392 3.798 20 0 CHADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529538086 1124992252 /nfs/dbraw/zinc/99/22/52/1124992252.db2.gz KHAKITAVXKRDRX-HIFRSBDPSA-N 2 1 288.426 3.664 20 0 CHADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529538086 1124992262 /nfs/dbraw/zinc/99/22/62/1124992262.db2.gz KHAKITAVXKRDRX-HIFRSBDPSA-N 2 1 288.426 3.664 20 0 CHADMP CCc1ccc2[nH+]ccc(N3CC[C@H](C[N@H+](C)CC)C3)c2c1 ZINC000450359733 1124999369 /nfs/dbraw/zinc/99/93/69/1124999369.db2.gz IBHKQIAPQTWHNQ-MRXNPFEDSA-N 2 1 297.446 3.575 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCC2=CCCCC2)C[C@@H]1C ZINC000450464652 1125035097 /nfs/dbraw/zinc/03/50/97/1125035097.db2.gz AODAKNWBCVQHNL-RDJZCZTQSA-N 2 1 264.457 3.682 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCC2=CCCCC2)C[C@@H]1C ZINC000450464652 1125035104 /nfs/dbraw/zinc/03/51/04/1125035104.db2.gz AODAKNWBCVQHNL-RDJZCZTQSA-N 2 1 264.457 3.682 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC2=CCCCC2)C[C@@H]1C ZINC000450464652 1125035113 /nfs/dbraw/zinc/03/51/13/1125035113.db2.gz AODAKNWBCVQHNL-RDJZCZTQSA-N 2 1 264.457 3.682 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC2=CCCCC2)C[C@H]1C ZINC000450464651 1125035747 /nfs/dbraw/zinc/03/57/47/1125035747.db2.gz AODAKNWBCVQHNL-NVXWUHKLSA-N 2 1 264.457 3.682 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC2=CCCCC2)C[C@H]1C ZINC000450464651 1125035757 /nfs/dbraw/zinc/03/57/57/1125035757.db2.gz AODAKNWBCVQHNL-NVXWUHKLSA-N 2 1 264.457 3.682 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC2=CCCCC2)C[C@H]1C ZINC000450464651 1125035766 /nfs/dbraw/zinc/03/57/66/1125035766.db2.gz AODAKNWBCVQHNL-NVXWUHKLSA-N 2 1 264.457 3.682 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CCCc2cccc(Cl)c2)CC1(C)C ZINC000623403669 1125045485 /nfs/dbraw/zinc/04/54/85/1125045485.db2.gz CIQVYFAAWPRMGE-INIZCTEOSA-N 2 1 294.870 3.735 20 0 CHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCC1 ZINC000390551391 1125100589 /nfs/dbraw/zinc/10/05/89/1125100589.db2.gz KEDUBJDBAYTPAT-SFHVURJKSA-N 2 1 286.463 3.677 20 0 CHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCC1 ZINC000390551391 1125100594 /nfs/dbraw/zinc/10/05/94/1125100594.db2.gz KEDUBJDBAYTPAT-SFHVURJKSA-N 2 1 286.463 3.677 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCC[C@@H]2C2CCCCC2)CC1 ZINC000392232352 1125142873 /nfs/dbraw/zinc/14/28/73/1125142873.db2.gz SMNKLKLADPSHLR-MOPGFXCFSA-N 2 1 290.495 3.977 20 0 CHADMP CC(C)=CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000530711831 1125172940 /nfs/dbraw/zinc/17/29/40/1125172940.db2.gz ILOFFBIGFAKFFX-MJGOQNOKSA-N 2 1 286.463 3.938 20 0 CHADMP CC(C)=CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000530711831 1125172946 /nfs/dbraw/zinc/17/29/46/1125172946.db2.gz ILOFFBIGFAKFFX-MJGOQNOKSA-N 2 1 286.463 3.938 20 0 CHADMP CC(C)=CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000530711831 1125172949 /nfs/dbraw/zinc/17/29/49/1125172949.db2.gz ILOFFBIGFAKFFX-MJGOQNOKSA-N 2 1 286.463 3.938 20 0 CHADMP CC(C)=CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000530711831 1125172953 /nfs/dbraw/zinc/17/29/53/1125172953.db2.gz ILOFFBIGFAKFFX-MJGOQNOKSA-N 2 1 286.463 3.938 20 0 CHADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)C1CCCCC1 ZINC000532208438 1125240433 /nfs/dbraw/zinc/24/04/33/1125240433.db2.gz IJSSVBQMWIAKLU-KCYZZUKISA-N 2 1 266.473 3.521 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152364364 1125306267 /nfs/dbraw/zinc/30/62/67/1125306267.db2.gz YWIWBGHRGGAXPR-UONOGXRCSA-N 2 1 280.843 3.675 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152364364 1125306270 /nfs/dbraw/zinc/30/62/70/1125306270.db2.gz YWIWBGHRGGAXPR-UONOGXRCSA-N 2 1 280.843 3.675 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152364364 1125306274 /nfs/dbraw/zinc/30/62/74/1125306274.db2.gz YWIWBGHRGGAXPR-UONOGXRCSA-N 2 1 280.843 3.675 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152364364 1125306276 /nfs/dbraw/zinc/30/62/76/1125306276.db2.gz YWIWBGHRGGAXPR-UONOGXRCSA-N 2 1 280.843 3.675 20 0 CHADMP Cc1ccoc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000086279131 1125337586 /nfs/dbraw/zinc/33/75/86/1125337586.db2.gz CTSAYQXPPAWAKG-AWEZNQCLSA-N 2 1 295.386 3.933 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(C)(C)C ZINC000398214258 1125337649 /nfs/dbraw/zinc/33/76/49/1125337649.db2.gz QOZFSMUGIVEBGW-AEFFLSMTSA-N 2 1 288.479 3.923 20 0 CHADMP C/C=C/C[C@@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000626161716 1125377372 /nfs/dbraw/zinc/37/73/72/1125377372.db2.gz IERIWJFJBUFZAV-MULDZMIYSA-N 2 1 264.457 3.539 20 0 CHADMP C/C=C/C[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000626161716 1125377373 /nfs/dbraw/zinc/37/73/73/1125377373.db2.gz IERIWJFJBUFZAV-MULDZMIYSA-N 2 1 264.457 3.539 20 0 CHADMP C/C=C/C[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000626161716 1125377375 /nfs/dbraw/zinc/37/73/75/1125377375.db2.gz IERIWJFJBUFZAV-MULDZMIYSA-N 2 1 264.457 3.539 20 0 CHADMP C=C/C=C\CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000883268980 1125389374 /nfs/dbraw/zinc/38/93/74/1125389374.db2.gz XOHDGSNVULNHCS-IUBGKJKWSA-N 2 1 296.458 3.904 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC(C)(C)c3ccccc32)C1 ZINC000044535561 1125394005 /nfs/dbraw/zinc/39/40/05/1125394005.db2.gz HYABHIAJFLVFJJ-CRAIPNDOSA-N 2 1 286.463 3.731 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)C2CCCCC2)[C@@H](C)C1 ZINC000532467858 1125396463 /nfs/dbraw/zinc/39/64/63/1125396463.db2.gz HZGGWRYMCBUAOC-ZOBUZTSGSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@@H]1C[C@@H](C)[NH+](CCCCC[N@H+]2C[C@H](C)C[C@@H]2C)C1 ZINC000532574999 1125416484 /nfs/dbraw/zinc/41/64/84/1125416484.db2.gz MVTMJUIXPGLJSD-VQHPVUNQSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@@H]1C[C@@H](C)[N@H+](CCCCC[NH+]2C[C@H](C)C[C@@H]2C)C1 ZINC000532574999 1125416486 /nfs/dbraw/zinc/41/64/86/1125416486.db2.gz MVTMJUIXPGLJSD-VQHPVUNQSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@@H]1C[C@@H](C)[N@@H+](CCCCC[NH+]2C[C@H](C)C[C@@H]2C)C1 ZINC000532574999 1125416487 /nfs/dbraw/zinc/41/64/87/1125416487.db2.gz MVTMJUIXPGLJSD-VQHPVUNQSA-N 2 1 266.473 3.617 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC001202612014 1125443316 /nfs/dbraw/zinc/44/33/16/1125443316.db2.gz QAMMBIWGAOORCH-ZACQAIPSSA-N 2 1 266.473 3.689 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC001202612014 1125443314 /nfs/dbraw/zinc/44/33/14/1125443314.db2.gz QAMMBIWGAOORCH-ZACQAIPSSA-N 2 1 266.473 3.689 20 0 CHADMP CC(C)[C@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000125072130 1125443894 /nfs/dbraw/zinc/44/38/94/1125443894.db2.gz ZJTOEFSYWIAXMH-JKSUJKDBSA-N 2 1 274.452 3.846 20 0 CHADMP C[C@H](c1ccccc1)[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CC1 ZINC000348258268 1125447289 /nfs/dbraw/zinc/44/72/89/1125447289.db2.gz WHMHWSPGHDOYLR-WBVHZDCISA-N 2 1 272.436 3.696 20 0 CHADMP C[C@H](c1ccccc1)[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000348258268 1125447290 /nfs/dbraw/zinc/44/72/90/1125447290.db2.gz WHMHWSPGHDOYLR-WBVHZDCISA-N 2 1 272.436 3.696 20 0 CHADMP C[C@H](c1ccccc1)[NH+](CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000348258268 1125447293 /nfs/dbraw/zinc/44/72/93/1125447293.db2.gz WHMHWSPGHDOYLR-WBVHZDCISA-N 2 1 272.436 3.696 20 0 CHADMP CCS[C@@H]1CCCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000125512351 1125448550 /nfs/dbraw/zinc/44/85/50/1125448550.db2.gz ZAJWPXPMCXTKEZ-MRXNPFEDSA-N 2 1 295.496 3.579 20 0 CHADMP CCS[C@@H]1CCCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000125512351 1125448553 /nfs/dbraw/zinc/44/85/53/1125448553.db2.gz ZAJWPXPMCXTKEZ-MRXNPFEDSA-N 2 1 295.496 3.579 20 0 CHADMP CC[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccncc1 ZINC000163783978 1129204130 /nfs/dbraw/zinc/20/41/30/1129204130.db2.gz DMBKQDWTYKWLFQ-SFHVURJKSA-N 2 1 287.451 3.529 20 0 CHADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(C)(C)SC)C1 ZINC001258327904 1129204745 /nfs/dbraw/zinc/20/47/45/1129204745.db2.gz PQLSKDWCKCHTIK-KGLIPLIRSA-N 2 1 286.529 3.759 20 0 CHADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H](C)CC(C)(C)SC)C1 ZINC001258327904 1129204748 /nfs/dbraw/zinc/20/47/48/1129204748.db2.gz PQLSKDWCKCHTIK-KGLIPLIRSA-N 2 1 286.529 3.759 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C1CC1 ZINC000165007966 1129211420 /nfs/dbraw/zinc/21/14/20/1129211420.db2.gz DBXBEXYSNHSSBV-ZOBUZTSGSA-N 2 1 292.492 3.909 20 0 CHADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C)c1 ZINC000295845824 1129219937 /nfs/dbraw/zinc/21/99/37/1129219937.db2.gz ATPOCOQFUXODEK-FBVQUNGASA-N 2 1 272.436 3.661 20 0 CHADMP c1ccc([C@@H]2C[C@H]([NH2+]C3CCCC3)CC[N@H+]2C2CC2)cc1 ZINC000638287287 1129252962 /nfs/dbraw/zinc/25/29/62/1129252962.db2.gz WBPGVRDMRGVALO-MJGOQNOKSA-N 2 1 284.447 3.887 20 0 CHADMP c1ccc([C@@H]2C[C@H]([NH2+]C3CCCC3)CC[N@@H+]2C2CC2)cc1 ZINC000638287287 1129252964 /nfs/dbraw/zinc/25/29/64/1129252964.db2.gz WBPGVRDMRGVALO-MJGOQNOKSA-N 2 1 284.447 3.887 20 0 CHADMP CCCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638321083 1129253921 /nfs/dbraw/zinc/25/39/21/1129253921.db2.gz UZDXZGOSFBIMPQ-AEFFLSMTSA-N 2 1 272.436 3.744 20 0 CHADMP CCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638321083 1129253926 /nfs/dbraw/zinc/25/39/26/1129253926.db2.gz UZDXZGOSFBIMPQ-AEFFLSMTSA-N 2 1 272.436 3.744 20 0 CHADMP CC1CC([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638726528 1129267295 /nfs/dbraw/zinc/26/72/95/1129267295.db2.gz RHBQZMRCTUMODI-DRWNQKMKSA-N 2 1 284.447 3.743 20 0 CHADMP CC1CC([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638726528 1129267296 /nfs/dbraw/zinc/26/72/96/1129267296.db2.gz RHBQZMRCTUMODI-DRWNQKMKSA-N 2 1 284.447 3.743 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](CC(C)C)C1CCCC1 ZINC000348041484 1129275840 /nfs/dbraw/zinc/27/58/40/1129275840.db2.gz HLNCCDDHIGBDAV-UHFFFAOYSA-N 2 1 277.456 3.872 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](CC(C)C)C1CCCC1 ZINC000348041484 1129275843 /nfs/dbraw/zinc/27/58/43/1129275843.db2.gz HLNCCDDHIGBDAV-UHFFFAOYSA-N 2 1 277.456 3.872 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]CCCC1CCCCC1 ZINC000348037090 1129276105 /nfs/dbraw/zinc/27/61/05/1129276105.db2.gz GHCSEOUMVAKNTC-UHFFFAOYSA-N 2 1 277.456 3.922 20 0 CHADMP CC(C)N(CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1F ZINC000348088047 1129280440 /nfs/dbraw/zinc/28/04/40/1129280440.db2.gz XHZAXLZEPLXFDD-INIZCTEOSA-N 2 1 278.415 3.520 20 0 CHADMP CC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cccc(Cl)c1F ZINC000643522886 1129444740 /nfs/dbraw/zinc/44/47/40/1129444740.db2.gz UHUSNAZVJAUALW-FZMZJTMJSA-N 2 1 284.806 3.662 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cc2ccccc2o1 ZINC000643545738 1129445685 /nfs/dbraw/zinc/44/56/85/1129445685.db2.gz BJGYJYFKNRWVMC-UKRRQHHQSA-N 2 1 284.403 3.758 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1[C@H]1CCC(C)(C)C1 ZINC001258606773 1129458781 /nfs/dbraw/zinc/45/87/81/1129458781.db2.gz BYRHEMVCTGOLED-BBWFWOEESA-N 2 1 278.484 3.904 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@H]1CCC(C)(C)C1 ZINC001258606773 1129458782 /nfs/dbraw/zinc/45/87/82/1129458782.db2.gz BYRHEMVCTGOLED-BBWFWOEESA-N 2 1 278.484 3.904 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@H]1CCC(C)(C)C1 ZINC001258606773 1129458783 /nfs/dbraw/zinc/45/87/83/1129458783.db2.gz BYRHEMVCTGOLED-BBWFWOEESA-N 2 1 278.484 3.904 20 0 CHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCC[C@H]1F ZINC000645219630 1129492211 /nfs/dbraw/zinc/49/22/11/1129492211.db2.gz XLATWSYRVOWQIZ-SJORKVTESA-N 2 1 292.442 3.625 20 0 CHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCC[C@H]1F ZINC000645219630 1129492214 /nfs/dbraw/zinc/49/22/14/1129492214.db2.gz XLATWSYRVOWQIZ-SJORKVTESA-N 2 1 292.442 3.625 20 0 CHADMP CC[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C1CCCCC1 ZINC000796282287 1129512870 /nfs/dbraw/zinc/51/28/70/1129512870.db2.gz CXXXXIKWDKQYSJ-HNNXBMFYSA-N 2 1 295.496 3.653 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647171305 1129553813 /nfs/dbraw/zinc/55/38/13/1129553813.db2.gz FJJNCJQTMFNMKC-CQSZACIVSA-N 2 1 288.426 3.666 20 0 CHADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000647175485 1129554504 /nfs/dbraw/zinc/55/45/04/1129554504.db2.gz RXRUMKVFKPAYGG-VQIMIIECSA-N 2 1 298.474 3.819 20 0 CHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000647175485 1129554507 /nfs/dbraw/zinc/55/45/07/1129554507.db2.gz RXRUMKVFKPAYGG-VQIMIIECSA-N 2 1 298.474 3.819 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)o1 ZINC000647344371 1129571570 /nfs/dbraw/zinc/57/15/70/1129571570.db2.gz PFDRLWMLYWVWCZ-NXHRZFHOSA-N 2 1 298.430 3.584 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)o1 ZINC000647344371 1129571572 /nfs/dbraw/zinc/57/15/72/1129571572.db2.gz PFDRLWMLYWVWCZ-NXHRZFHOSA-N 2 1 298.430 3.584 20 0 CHADMP CC(C)CC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647343522 1129571684 /nfs/dbraw/zinc/57/16/84/1129571684.db2.gz UWPAFCFRAUATLG-QRQLOZEOSA-N 2 1 288.479 3.746 20 0 CHADMP CC[NH+]1CCC([NH2+]C2(c3cccc(Cl)c3)CCC2)CC1 ZINC000647349443 1129573575 /nfs/dbraw/zinc/57/35/75/1129573575.db2.gz PMCXJHCFNFBPHF-UHFFFAOYSA-N 2 1 292.854 3.793 20 0 CHADMP CC[C@@H]1C[N@@H+](Cc2c(C)cc(Cl)cc2C)CC[C@H]1[NH3+] ZINC000647498830 1129580125 /nfs/dbraw/zinc/58/01/25/1129580125.db2.gz RRUZVVMBHDPQMV-CZUORRHYSA-N 2 1 280.843 3.516 20 0 CHADMP C[C@H](c1ccccc1F)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975935 1129591051 /nfs/dbraw/zinc/59/10/51/1129591051.db2.gz HXFYNQPXXKMWSA-OWCLPIDISA-N 2 1 290.426 3.598 20 0 CHADMP C[C@@H](C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C(C)(C)C ZINC000648068450 1129595171 /nfs/dbraw/zinc/59/51/71/1129595171.db2.gz YXSNGNOCAYNJTC-JQHSSLGASA-N 2 1 288.479 3.604 20 0 CHADMP CCCCN(C)c1ccc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000252830481 1129599064 /nfs/dbraw/zinc/59/90/64/1129599064.db2.gz ABQRRBRWZNPOPL-DOTOQJQBSA-N 2 1 289.467 3.818 20 0 CHADMP CCCC[N@H+](C)c1ccc(N[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000252830481 1129599068 /nfs/dbraw/zinc/59/90/68/1129599068.db2.gz ABQRRBRWZNPOPL-DOTOQJQBSA-N 2 1 289.467 3.818 20 0 CHADMP CCCC[N@@H+](C)c1ccc(N[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000252830481 1129599070 /nfs/dbraw/zinc/59/90/70/1129599070.db2.gz ABQRRBRWZNPOPL-DOTOQJQBSA-N 2 1 289.467 3.818 20 0 CHADMP CCCC[NH+](C)c1ccc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000252830481 1129599072 /nfs/dbraw/zinc/59/90/72/1129599072.db2.gz ABQRRBRWZNPOPL-DOTOQJQBSA-N 2 1 289.467 3.818 20 0 CHADMP CCCC[NH+](C)c1ccc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000252830481 1129599075 /nfs/dbraw/zinc/59/90/75/1129599075.db2.gz ABQRRBRWZNPOPL-DOTOQJQBSA-N 2 1 289.467 3.818 20 0 CHADMP C[C@@H](C[N@H+]1CCC[C@H](Cc2nccn2C)C1)CC(C)(C)C ZINC001168848829 1129679435 /nfs/dbraw/zinc/67/94/35/1129679435.db2.gz RJKQKUJWDGPMQC-HZPDHXFCSA-N 2 1 291.483 3.747 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccc3ccccc3c1)C2 ZINC001169098818 1129696355 /nfs/dbraw/zinc/69/63/55/1129696355.db2.gz LESOKGGGCTUOEN-ACDBMABISA-N 2 1 294.442 3.597 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccccc3)CCCC1)C2 ZINC001169095371 1129696553 /nfs/dbraw/zinc/69/65/53/1129696553.db2.gz QGITYUNWPGODRV-BCDXTJNWSA-N 2 1 284.447 3.671 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCC1CCCCCC1)C2 ZINC001169097842 1129696690 /nfs/dbraw/zinc/69/66/90/1129696690.db2.gz CLJCORQZFCPORY-OSYLJGHBSA-N 2 1 264.457 3.562 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](c1ccccc1)C1CCC1)C2 ZINC001169100697 1129697143 /nfs/dbraw/zinc/69/71/43/1129697143.db2.gz LJOSMLHTMXMSHG-AKHDSKFASA-N 2 1 284.447 3.743 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCc3ccc(Cl)cc31)C2 ZINC001169101358 1129697431 /nfs/dbraw/zinc/69/74/31/1129697431.db2.gz RYGKHKSADXPJGQ-IVSAIRAKSA-N 2 1 290.838 3.542 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCc3ccc(Cl)cc31)C2 ZINC001169101360 1129697893 /nfs/dbraw/zinc/69/78/93/1129697893.db2.gz RYGKHKSADXPJGQ-MPTYRVRUSA-N 2 1 290.838 3.542 20 0 CHADMP CC(C)C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001169090657 1129700177 /nfs/dbraw/zinc/70/01/77/1129700177.db2.gz KEBYDGAQFKFIGX-AKHDSKFASA-N 2 1 286.463 3.989 20 0 CHADMP Cc1ccc([C@H]2CCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169140452 1129701088 /nfs/dbraw/zinc/70/10/88/1129701088.db2.gz KCLXBIVOPWPEBR-FCGDIQPGSA-N 2 1 284.447 3.757 20 0 CHADMP Cc1ccc([C@H]2CCC[N@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169140452 1129701091 /nfs/dbraw/zinc/70/10/91/1129701091.db2.gz KCLXBIVOPWPEBR-FCGDIQPGSA-N 2 1 284.447 3.757 20 0 CHADMP Cc1ccc([C@H]2CCC[N@@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169140452 1129701093 /nfs/dbraw/zinc/70/10/93/1129701093.db2.gz KCLXBIVOPWPEBR-FCGDIQPGSA-N 2 1 284.447 3.757 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2 ZINC001169124369 1129701680 /nfs/dbraw/zinc/70/16/80/1129701680.db2.gz QNLAMVSBSRTBSE-SFNKJDCFSA-N 2 1 284.447 3.587 20 0 CHADMP CC(C)c1ccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169110514 1129703120 /nfs/dbraw/zinc/70/31/20/1129703120.db2.gz LYPWNHQMPHWHSB-REPLKXPHSA-N 2 1 286.463 3.567 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc3sccc31)C2 ZINC001169107880 1129703555 /nfs/dbraw/zinc/70/35/55/1129703555.db2.gz MAIWEVDDOFJLMQ-QKDCVEJESA-N 2 1 286.444 3.616 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H]1c1cccc(F)c1)C2 ZINC001169142443 1129704477 /nfs/dbraw/zinc/70/44/77/1129704477.db2.gz USYUIFQTQFKZET-XMTFNYHQSA-N 2 1 288.410 3.588 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H]1c1cccc(F)c1)C2 ZINC001169142443 1129704478 /nfs/dbraw/zinc/70/44/78/1129704478.db2.gz USYUIFQTQFKZET-XMTFNYHQSA-N 2 1 288.410 3.588 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H]1c1cccc(F)c1)C2 ZINC001169142443 1129704480 /nfs/dbraw/zinc/70/44/80/1129704480.db2.gz USYUIFQTQFKZET-XMTFNYHQSA-N 2 1 288.410 3.588 20 0 CHADMP CC[C@@H](c1ccccc1)[N@@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169148438 1129704620 /nfs/dbraw/zinc/70/46/20/1129704620.db2.gz YYPIAPRYCPWOQZ-MLHJIOFPSA-N 2 1 272.436 3.695 20 0 CHADMP CC[C@@H](c1ccccc1)[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169148438 1129704623 /nfs/dbraw/zinc/70/46/23/1129704623.db2.gz YYPIAPRYCPWOQZ-MLHJIOFPSA-N 2 1 272.436 3.695 20 0 CHADMP CC[C@@H](c1ccccc1)[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169148438 1129704625 /nfs/dbraw/zinc/70/46/25/1129704625.db2.gz YYPIAPRYCPWOQZ-MLHJIOFPSA-N 2 1 272.436 3.695 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(C)(c3ccccc3)CC1)C2 ZINC001169154524 1129705075 /nfs/dbraw/zinc/70/50/75/1129705075.db2.gz RPZMDVUEGVEMDV-REPLKXPHSA-N 2 1 298.474 3.665 20 0 CHADMP CC1(C)C[C@@H](Nc2[nH+]ccc3cc[nH]c32)C[C@](C)(C[NH3+])C1 ZINC001169151232 1129705303 /nfs/dbraw/zinc/70/53/03/1129705303.db2.gz HFLSWSWGJIUSOQ-DYVFJYSZSA-N 2 1 286.423 3.519 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](c2ccc(F)cc2)C2CCC2)CC1 ZINC001169230148 1129710436 /nfs/dbraw/zinc/71/04/36/1129710436.db2.gz UCZDXVXRHGKPBV-SFHVURJKSA-N 2 1 290.426 3.741 20 0 CHADMP CC[NH+]1CCC([NH2+]C(C)(C)c2ccc(Cl)cc2)CC1 ZINC001169225345 1129710503 /nfs/dbraw/zinc/71/05/03/1129710503.db2.gz TWAMYIWNIFVFBL-UHFFFAOYSA-N 2 1 280.843 3.649 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2[C@@H]3CC[C@@H](C3)[C@H]2c2ccccc2)CC1 ZINC001169233883 1129711413 /nfs/dbraw/zinc/71/14/13/1129711413.db2.gz XMWKEADJJURNQR-ONCXSQPRSA-N 2 1 298.474 3.643 20 0 CHADMP CC[N@H+](Cc1ccc(C)c(C)c1)C1CC[NH+](CC)CC1 ZINC001169262178 1129711813 /nfs/dbraw/zinc/71/18/13/1129711813.db2.gz VJEHXLJGUWOWQJ-UHFFFAOYSA-N 2 1 274.452 3.610 20 0 CHADMP CC[N@@H+](Cc1ccc(C)c(C)c1)C1CC[NH+](CC)CC1 ZINC001169262178 1129711815 /nfs/dbraw/zinc/71/18/15/1129711815.db2.gz VJEHXLJGUWOWQJ-UHFFFAOYSA-N 2 1 274.452 3.610 20 0 CHADMP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000652222845 1129760583 /nfs/dbraw/zinc/76/05/83/1129760583.db2.gz ZGAVWVFFGBZYGY-MRXNPFEDSA-N 2 1 299.462 3.863 20 0 CHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000652222845 1129760586 /nfs/dbraw/zinc/76/05/86/1129760586.db2.gz ZGAVWVFFGBZYGY-MRXNPFEDSA-N 2 1 299.462 3.863 20 0 CHADMP Cc1c(C)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)ccc1Cl ZINC001206025582 1129765988 /nfs/dbraw/zinc/76/59/88/1129765988.db2.gz OEXJEWWWIHQEKE-WFASDCNBSA-N 2 1 294.870 3.764 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206025686 1129766855 /nfs/dbraw/zinc/76/68/55/1129766855.db2.gz PAWFAPDDRMYLTQ-GJZGRUSLSA-N 2 1 294.870 3.764 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](CCc1ccccc1)C1CC1 ZINC000767350010 1129787030 /nfs/dbraw/zinc/78/70/30/1129787030.db2.gz BRSFFHMTFYDYMU-UHFFFAOYSA-N 2 1 297.446 3.679 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](CCc1ccccc1)C1CC1 ZINC000767350010 1129787032 /nfs/dbraw/zinc/78/70/32/1129787032.db2.gz BRSFFHMTFYDYMU-UHFFFAOYSA-N 2 1 297.446 3.679 20 0 CHADMP C[C@@H]([NH2+][C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1)c1ccc(Cl)c(F)c1 ZINC001246213654 1131403360 /nfs/dbraw/zinc/40/33/60/1131403360.db2.gz RDUCQWDERYOHEL-LSCVPOLPSA-N 2 1 284.806 3.659 20 0 CHADMP C[C@@]1(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC[N@@H+](Cc2ccccc2)C1 ZINC000800984468 1129902402 /nfs/dbraw/zinc/90/24/02/1129902402.db2.gz VHNXPNDJHUEHFM-NMLBUPMWSA-N 2 1 298.474 3.677 20 0 CHADMP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001461101609 1129903918 /nfs/dbraw/zinc/90/39/18/1129903918.db2.gz VCXKJWIPHDGIIT-PMPSAXMXSA-N 2 1 280.500 3.911 20 0 CHADMP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001461101609 1129903922 /nfs/dbraw/zinc/90/39/22/1129903922.db2.gz VCXKJWIPHDGIIT-PMPSAXMXSA-N 2 1 280.500 3.911 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2ccc(Cl)cc12 ZINC001137716145 1131406330 /nfs/dbraw/zinc/40/63/30/1131406330.db2.gz VIQRZRSAHCDSSG-UHFFFAOYSA-N 2 1 293.842 3.595 20 0 CHADMP [NH3+]CCCC[C@H]([NH2+]Cc1ccoc1)c1ccc(F)cc1F ZINC000902363021 1130003481 /nfs/dbraw/zinc/00/34/81/1130003481.db2.gz KKAHFSOSDYDGAV-INIZCTEOSA-N 2 1 294.345 3.518 20 0 CHADMP [NH3+]CCCC[C@@H]([NH2+]Cc1ccoc1)c1ccc(F)cc1F ZINC000902363022 1130003499 /nfs/dbraw/zinc/00/34/99/1130003499.db2.gz KKAHFSOSDYDGAV-MRXNPFEDSA-N 2 1 294.345 3.518 20 0 CHADMP CC1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903076893 1130108809 /nfs/dbraw/zinc/10/88/09/1130108809.db2.gz WDNDKCZPQFBWNC-CJHMKJBKSA-N 2 1 276.468 3.560 20 0 CHADMP CC1(C)CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903109925 1130115393 /nfs/dbraw/zinc/11/53/93/1130115393.db2.gz JLDDQRNTUCBPQK-YQAQFAQXSA-N 2 1 276.468 3.703 20 0 CHADMP CC[C@H](C)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903117990 1130115895 /nfs/dbraw/zinc/11/58/95/1130115895.db2.gz CNPBODJJOITTRD-VUZHLFFPSA-N 2 1 264.457 3.559 20 0 CHADMP CSCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903148711 1130119873 /nfs/dbraw/zinc/11/98/73/1130119873.db2.gz VQSDGGQDJPTPHX-ZXFUBFMLSA-N 2 1 296.524 3.657 20 0 CHADMP CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CCC1 ZINC000903177756 1130124613 /nfs/dbraw/zinc/12/46/13/1130124613.db2.gz BCHRMLCBNADWCV-ZXFUBFMLSA-N 2 1 276.468 3.560 20 0 CHADMP CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903189699 1130127252 /nfs/dbraw/zinc/12/72/52/1130127252.db2.gz GOUQPXNTPCZVQJ-MOUFXGFKSA-N 2 1 290.495 3.949 20 0 CHADMP CC(C)CCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001170070890 1130140584 /nfs/dbraw/zinc/14/05/84/1130140584.db2.gz ZSGYEZKXIGYXQU-JYJNAYRXSA-N 2 1 254.462 3.664 20 0 CHADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000903431392 1130177011 /nfs/dbraw/zinc/17/70/11/1130177011.db2.gz MCLGFLIRAGHYAJ-MAZHCROVSA-N 2 1 278.827 3.604 20 0 CHADMP Cc1ccc([C@@H]2CCCCC[N@@H+]2CC2CC[NH+](C)CC2)o1 ZINC000788481744 1130190078 /nfs/dbraw/zinc/19/00/78/1130190078.db2.gz SNKVMUPVOIVIBA-KRWDZBQOSA-N 2 1 290.451 3.847 20 0 CHADMP COC(=[NH2+])c1cccc(-c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC001240060858 1130206729 /nfs/dbraw/zinc/20/67/29/1130206729.db2.gz XPEPEQFILZWYCG-UHFFFAOYSA-N 2 1 294.398 3.921 20 0 CHADMP [NH3+][C@H](CC(F)F)C[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000903886259 1130208534 /nfs/dbraw/zinc/20/85/34/1130208534.db2.gz OFVXZPUBBUZGAM-HUUCEWRRSA-N 2 1 282.378 3.586 20 0 CHADMP [NH3+][C@H](CC(F)F)C[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000903886259 1130208538 /nfs/dbraw/zinc/20/85/38/1130208538.db2.gz OFVXZPUBBUZGAM-HUUCEWRRSA-N 2 1 282.378 3.586 20 0 CHADMP CCCC[N@@H+](C[C@@H]([NH3+])CC(F)F)[C@H](C)c1ccccc1 ZINC000903894662 1130209251 /nfs/dbraw/zinc/20/92/51/1130209251.db2.gz BDMQELZYLSTZAQ-HIFRSBDPSA-N 2 1 284.394 3.832 20 0 CHADMP c1ccc([C@@H]2C[C@H]([NH2+]C3CCC=CCC3)CC[NH2+]2)cc1 ZINC000903962892 1130212585 /nfs/dbraw/zinc/21/25/85/1130212585.db2.gz LUPIIDFPFKMBDE-MSOLQXFVSA-N 2 1 270.420 3.568 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206572577 1130241372 /nfs/dbraw/zinc/24/13/72/1130241372.db2.gz CTLPZVYAWOJCBZ-QGZVFWFLSA-N 2 1 294.870 3.908 20 0 CHADMP C[N@H+]1CCC[C@@H]([NH2+]C2CCC(C(C)(C)C)CC2)CC1 ZINC001254500747 1130256213 /nfs/dbraw/zinc/25/62/13/1130256213.db2.gz KGNWZXMBMOORLJ-HWOWSKLDSA-N 2 1 266.473 3.665 20 0 CHADMP c1ccc(C[N@H+]2CCC=C(c3ccc4c(c3)C[NH2+]C4)C2)cc1 ZINC001240388140 1130287462 /nfs/dbraw/zinc/28/74/62/1130287462.db2.gz CHMHCLVQIYWVQG-UHFFFAOYSA-N 2 1 290.410 3.579 20 0 CHADMP c1ccc2c(c1)cccc2CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677237044 1130297096 /nfs/dbraw/zinc/29/70/96/1130297096.db2.gz ZFSMNINRYARVEO-OALUTQOASA-N 2 1 294.442 3.599 20 0 CHADMP CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000677238010 1130297782 /nfs/dbraw/zinc/29/77/82/1130297782.db2.gz URMJXYIWZRGOQB-TWMKSMIVSA-N 2 1 264.457 3.562 20 0 CHADMP c1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C2CCC2)cc1 ZINC000677242387 1130298173 /nfs/dbraw/zinc/29/81/73/1130298173.db2.gz ZQCXVNPGQPAENM-QYZOEREBSA-N 2 1 284.447 3.744 20 0 CHADMP C[C@@H]1CC[C@@H]([N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001170147157 1130342591 /nfs/dbraw/zinc/34/25/91/1130342591.db2.gz AKLMXKOQCLHJQJ-BHIYHBOVSA-N 2 1 286.463 3.629 20 0 CHADMP C[C@@H]1CC[C@@H]([NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001170147157 1130342597 /nfs/dbraw/zinc/34/25/97/1130342597.db2.gz AKLMXKOQCLHJQJ-BHIYHBOVSA-N 2 1 286.463 3.629 20 0 CHADMP C[C@@H]1CC[C@@H]([NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001170147157 1130342601 /nfs/dbraw/zinc/34/26/01/1130342601.db2.gz AKLMXKOQCLHJQJ-BHIYHBOVSA-N 2 1 286.463 3.629 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c(C)n1 ZINC000678411430 1130412207 /nfs/dbraw/zinc/41/22/07/1130412207.db2.gz CYERXMHBBNECCY-CVEARBPZSA-N 2 1 289.467 3.614 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c(C)n1 ZINC000678411430 1130412210 /nfs/dbraw/zinc/41/22/10/1130412210.db2.gz CYERXMHBBNECCY-CVEARBPZSA-N 2 1 289.467 3.614 20 0 CHADMP C[C@@H]1CC[C@H]([N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)C1 ZINC001170160519 1130415367 /nfs/dbraw/zinc/41/53/67/1130415367.db2.gz IGRTWJDYNLDLDX-QAPCUYQASA-N 2 1 278.484 3.904 20 0 CHADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCO[C@@H](CC)C1 ZINC001170189503 1130456135 /nfs/dbraw/zinc/45/61/35/1130456135.db2.gz BWTPNPBEVLEWDZ-DKIMLUQUSA-N 2 1 296.499 3.705 20 0 CHADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001170254006 1130474389 /nfs/dbraw/zinc/47/43/89/1130474389.db2.gz DJQWRZWLHPPVDK-COXVUDFISA-N 2 1 294.870 3.733 20 0 CHADMP CC(C)[N@@H+](CCC1CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC001206579917 1130488728 /nfs/dbraw/zinc/48/87/28/1130488728.db2.gz AXBCAWKFNMHERG-KRWDZBQOSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCC1 ZINC000679398211 1130527610 /nfs/dbraw/zinc/52/76/10/1130527610.db2.gz MALSINGHOKYVHU-QLIIJSOBSA-N 2 1 298.474 3.960 20 0 CHADMP CCC(CC)(CC)C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000679840901 1130559395 /nfs/dbraw/zinc/55/93/95/1130559395.db2.gz PXYBYNUWFVYNFG-INIZCTEOSA-N 2 1 268.489 3.913 20 0 CHADMP CCCCc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)s1 ZINC001234993349 1130699914 /nfs/dbraw/zinc/69/99/14/1130699914.db2.gz PGDYKLIEOWNJAL-QGZVFWFLSA-N 2 1 292.492 3.666 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)s1 ZINC001234993349 1130699917 /nfs/dbraw/zinc/69/99/17/1130699917.db2.gz PGDYKLIEOWNJAL-QGZVFWFLSA-N 2 1 292.492 3.666 20 0 CHADMP CC(C)=CCCC1=CC[C@@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC001235004067 1130703092 /nfs/dbraw/zinc/70/30/92/1130703092.db2.gz QRJIGPPPZLRPOK-QYZOEREBSA-N 2 1 288.479 3.896 20 0 CHADMP CC(C)=CCCC1=CC[C@@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC001235004067 1130703097 /nfs/dbraw/zinc/70/30/97/1130703097.db2.gz QRJIGPPPZLRPOK-QYZOEREBSA-N 2 1 288.479 3.896 20 0 CHADMP C(CC1CCCC1)C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235040697 1130705241 /nfs/dbraw/zinc/70/52/41/1130705241.db2.gz MZPZTJLHMWDTOL-QGZVFWFLSA-N 2 1 264.457 3.565 20 0 CHADMP CC(C)c1ccccc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235041019 1130705844 /nfs/dbraw/zinc/70/58/44/1130705844.db2.gz WIYHQXGMPVKIJB-LJQANCHMSA-N 2 1 286.463 3.918 20 0 CHADMP c1csc(-c2ccc(C[NH+]3CCC4(CC[NH2+]4)CC3)cc2)c1 ZINC001235110655 1130711706 /nfs/dbraw/zinc/71/17/06/1130711706.db2.gz LFAGJVJLDUTUQV-UHFFFAOYSA-N 2 1 298.455 3.743 20 0 CHADMP C[C@H](CC[N@@H+]1CCCC[C@@]12CC[NH2+]C2)CC(C)(C)C ZINC001235126675 1130713741 /nfs/dbraw/zinc/71/37/41/1130713741.db2.gz VZKHVJZLEUFOBS-WBVHZDCISA-N 2 1 266.473 3.667 20 0 CHADMP C[C@H](CC[N@H+]1CCCC[C@@]12CC[NH2+]C2)CC(C)(C)C ZINC001235126675 1130713744 /nfs/dbraw/zinc/71/37/44/1130713744.db2.gz VZKHVJZLEUFOBS-WBVHZDCISA-N 2 1 266.473 3.667 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235124282 1130713749 /nfs/dbraw/zinc/71/37/49/1130713749.db2.gz LNLMYXFARITYKD-IAGOWNOFSA-N 2 1 264.457 3.587 20 0 CHADMP Cc1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(C)s1 ZINC001235155332 1130715725 /nfs/dbraw/zinc/71/57/25/1130715725.db2.gz OPDBISZCZQKBLD-KRWDZBQOSA-N 2 1 292.492 3.719 20 0 CHADMP Cc1cc(C[N@H+]2CCCCC23CC[NH2+]CC3)cc(C)c1F ZINC001235189529 1130721008 /nfs/dbraw/zinc/72/10/08/1130721008.db2.gz LGCCLYOYEBXWGP-UHFFFAOYSA-N 2 1 290.426 3.551 20 0 CHADMP C[C@@H](C[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1)c1cccc2ccccc21 ZINC001235209017 1130723717 /nfs/dbraw/zinc/72/37/17/1130723717.db2.gz GTSPDUDJDOWPRL-VPWXQRGCSA-N 2 1 294.442 3.627 20 0 CHADMP C[C@@H](C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1)c1cccc2ccccc21 ZINC001235209017 1130723722 /nfs/dbraw/zinc/72/37/22/1130723722.db2.gz GTSPDUDJDOWPRL-VPWXQRGCSA-N 2 1 294.442 3.627 20 0 CHADMP CC(C)=CCCC1=CC[C@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC001235235719 1130725927 /nfs/dbraw/zinc/72/59/27/1130725927.db2.gz QRJIGPPPZLRPOK-OTWHNJEPSA-N 2 1 288.479 3.896 20 0 CHADMP CC(C)=CCCC1=CC[C@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC001235235719 1130725930 /nfs/dbraw/zinc/72/59/30/1130725930.db2.gz QRJIGPPPZLRPOK-OTWHNJEPSA-N 2 1 288.479 3.896 20 0 CHADMP c1cc(-c2cccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)c2)cs1 ZINC001235266909 1130730994 /nfs/dbraw/zinc/73/09/94/1130730994.db2.gz HQVYGZIODSNNLJ-FUHWJXTLSA-N 2 1 298.455 3.599 20 0 CHADMP c1ccc(-c2ccccc2C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC001235273401 1130731266 /nfs/dbraw/zinc/73/12/66/1130731266.db2.gz SEMFHSQQSLAURT-UYAOXDASSA-N 2 1 292.426 3.537 20 0 CHADMP CC/C=C\CCCCC[N@@H+]1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001235398731 1130739058 /nfs/dbraw/zinc/73/90/58/1130739058.db2.gz WWARKGADRJOZIQ-JNXQLMTMSA-N 2 1 282.447 3.522 20 0 CHADMP Cc1ccc(C)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235428594 1130741587 /nfs/dbraw/zinc/74/15/87/1130741587.db2.gz VKXDBOIIQPQWOY-QZTJIDSGSA-N 2 1 286.463 3.515 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+](C)C3CC[NH2+]CC3)cc2)cc1 ZINC001235467111 1130747583 /nfs/dbraw/zinc/74/75/83/1130747583.db2.gz UCMPRHNBQWJOHK-UHFFFAOYSA-N 2 1 294.442 3.846 20 0 CHADMP C[N@@H+](Cc1c2ccccc2[nH]c1C(C)(C)C)C1CC[NH2+]CC1 ZINC001235470717 1130747801 /nfs/dbraw/zinc/74/78/01/1130747801.db2.gz BSLZHSKQVVKOLB-UHFFFAOYSA-N 2 1 299.462 3.649 20 0 CHADMP C[N@H+](Cc1ccc(-c2cccs2)s1)C1CC[NH2+]CC1 ZINC001235472223 1130747934 /nfs/dbraw/zinc/74/79/34/1130747934.db2.gz HZZOVUFVPMFXRK-UHFFFAOYSA-N 2 1 292.473 3.660 20 0 CHADMP C[N@@H+](Cc1ccc(-c2cccs2)s1)C1CC[NH2+]CC1 ZINC001235472223 1130747938 /nfs/dbraw/zinc/74/79/38/1130747938.db2.gz HZZOVUFVPMFXRK-UHFFFAOYSA-N 2 1 292.473 3.660 20 0 CHADMP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000782192215 1130760483 /nfs/dbraw/zinc/76/04/83/1130760483.db2.gz YYTLLSIUTLMRDF-GUYCJALGSA-N 2 1 292.854 3.601 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000782192215 1130760487 /nfs/dbraw/zinc/76/04/87/1130760487.db2.gz YYTLLSIUTLMRDF-GUYCJALGSA-N 2 1 292.854 3.601 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000782192215 1130760492 /nfs/dbraw/zinc/76/04/92/1130760492.db2.gz YYTLLSIUTLMRDF-GUYCJALGSA-N 2 1 292.854 3.601 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000782192215 1130760496 /nfs/dbraw/zinc/76/04/96/1130760496.db2.gz YYTLLSIUTLMRDF-GUYCJALGSA-N 2 1 292.854 3.601 20 0 CHADMP c1c(C[N@H+]2CCC[C@H]2c2ccccc2)sc2c1CC[NH2+]C2 ZINC001235673162 1130763743 /nfs/dbraw/zinc/76/37/43/1130763743.db2.gz CJPACDJSWHAFEN-KRWDZBQOSA-N 2 1 298.455 3.731 20 0 CHADMP c1c(C[N@H+]2CCC[C@@H]2c2ccccc2)sc2c1CC[NH2+]C2 ZINC001235673166 1130764064 /nfs/dbraw/zinc/76/40/64/1130764064.db2.gz CJPACDJSWHAFEN-QGZVFWFLSA-N 2 1 298.455 3.731 20 0 CHADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccs3)cc2)C1 ZINC001235673749 1130765709 /nfs/dbraw/zinc/76/57/09/1130765709.db2.gz CZJSRJWLMYDBQF-HNNXBMFYSA-N 2 1 286.444 3.586 20 0 CHADMP C[C@@H](C[N@H+]1CCC[C@@H](C[NH3+])C1)c1cccc2ccccc21 ZINC001235675320 1130766031 /nfs/dbraw/zinc/76/60/31/1130766031.db2.gz VQKGUASDKMXFAQ-HOTGVXAUSA-N 2 1 282.431 3.614 20 0 CHADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(F)c(-c3ccccc3)c2)C1 ZINC001235676508 1130766070 /nfs/dbraw/zinc/76/60/70/1130766070.db2.gz RRIZWVKEBKTMGJ-MRXNPFEDSA-N 2 1 298.405 3.663 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CCCC[NH2+]2)cc1 ZINC001235679043 1130767666 /nfs/dbraw/zinc/76/76/66/1130767666.db2.gz OFJJMJOVAMCLLW-MSOLQXFVSA-N 2 1 272.436 3.664 20 0 CHADMP [NH3+]CCCCC[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC001235693519 1130770646 /nfs/dbraw/zinc/77/06/46/1130770646.db2.gz BSTJWYILEFSDSS-OAHLLOKOSA-N 2 1 266.816 3.606 20 0 CHADMP CCCCc1ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)s1 ZINC001235717659 1130771123 /nfs/dbraw/zinc/77/11/23/1130771123.db2.gz XNZBVSSYTAIDBW-UHFFFAOYSA-N 2 1 294.508 3.912 20 0 CHADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(-c2ccccc2)o1 ZINC001235717640 1130771144 /nfs/dbraw/zinc/77/11/44/1130771144.db2.gz XCPXCPYPYCCAQY-UHFFFAOYSA-N 2 1 298.430 3.768 20 0 CHADMP c1ccc(-c2cccc(C[N@@H+]3CCCC4(C[NH2+]C4)C3)c2)cc1 ZINC001235713782 1130771196 /nfs/dbraw/zinc/77/11/96/1130771196.db2.gz PTAYKENVFMFDBE-UHFFFAOYSA-N 2 1 292.426 3.539 20 0 CHADMP c1ccc(-c2cccc(C[N@H+]3CCCC4(C[NH2+]C4)C3)c2)cc1 ZINC001235713782 1130771199 /nfs/dbraw/zinc/77/11/99/1130771199.db2.gz PTAYKENVFMFDBE-UHFFFAOYSA-N 2 1 292.426 3.539 20 0 CHADMP Cc1c(F)ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)c1Cl ZINC001235718045 1130771341 /nfs/dbraw/zinc/77/13/41/1130771341.db2.gz SRXQKZTWUPGNPM-UHFFFAOYSA-N 2 1 298.833 3.609 20 0 CHADMP C[C@H](CC[N@@H+](C)CCC1CC[NH2+]CC1)CC(C)(C)C ZINC001235712618 1130772055 /nfs/dbraw/zinc/77/20/55/1130772055.db2.gz BNQAQJIABNHTDM-OAHLLOKOSA-N 2 1 268.489 3.770 20 0 CHADMP CC[N@@H+](CC[C@H](C)CCCC(C)(C)OC)C1CC[NH2+]CC1 ZINC001235761328 1130776070 /nfs/dbraw/zinc/77/60/70/1130776070.db2.gz TYRHQOJUJCGZHI-MRXNPFEDSA-N 2 1 298.515 3.682 20 0 CHADMP CC[N@@H+](Cc1c(C)sc2ccccc21)C1CC[NH2+]CC1 ZINC001235762274 1130776268 /nfs/dbraw/zinc/77/62/68/1130776268.db2.gz REYSPTPIOZORIU-UHFFFAOYSA-N 2 1 288.460 3.784 20 0 CHADMP CC[N@H+](Cc1ccc(-c2ccccc2)o1)C1CC[NH2+]CC1 ZINC001235759880 1130776415 /nfs/dbraw/zinc/77/64/15/1130776415.db2.gz DFUPDVGPDKDLAY-UHFFFAOYSA-N 2 1 284.403 3.521 20 0 CHADMP CC[N@@H+](Cc1ccc(-c2ccccc2)o1)C1CC[NH2+]CC1 ZINC001235759880 1130776420 /nfs/dbraw/zinc/77/64/20/1130776420.db2.gz DFUPDVGPDKDLAY-UHFFFAOYSA-N 2 1 284.403 3.521 20 0 CHADMP Cc1ccc(Oc2cccc(C[N@H+]3CC[C@@H](C[NH3+])C3)c2)cc1 ZINC001235748494 1130776743 /nfs/dbraw/zinc/77/67/43/1130776743.db2.gz ASXRVCVSJOBSIC-KRWDZBQOSA-N 2 1 296.414 3.568 20 0 CHADMP Clc1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)s1 ZINC001235839142 1130785396 /nfs/dbraw/zinc/78/53/96/1130785396.db2.gz KTFOEWNFIFGXOO-STQMWFEESA-N 2 1 298.883 3.928 20 0 CHADMP C[N@H+](Cc1ccc(Oc2ccccc2)cc1)C[C@H]1CC[NH2+]C1 ZINC001235841938 1130786819 /nfs/dbraw/zinc/78/68/19/1130786819.db2.gz KLRKBQWIEUBBRO-KRWDZBQOSA-N 2 1 296.414 3.520 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+](C)C[C@H]3CC[NH2+]C3)cc2)cc1 ZINC001235843545 1130787040 /nfs/dbraw/zinc/78/70/40/1130787040.db2.gz YPUWNAGEPIKEKD-SFHVURJKSA-N 2 1 294.442 3.703 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+]1C[C@@H]([NH3+])CC[C@H]1C ZINC001235909083 1130804929 /nfs/dbraw/zinc/80/49/29/1130804929.db2.gz YYANAFZMSUYUKS-YPMHNXCESA-N 2 1 274.433 3.521 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+]1C[C@@H]([NH3+])CC[C@H]1C ZINC001235909083 1130804934 /nfs/dbraw/zinc/80/49/34/1130804934.db2.gz YYANAFZMSUYUKS-YPMHNXCESA-N 2 1 274.433 3.521 20 0 CHADMP Cc1c(C[N@H+]2CCC[C@H]2CC[NH3+])cccc1-c1ccccc1 ZINC001235926293 1130806461 /nfs/dbraw/zinc/80/64/61/1130806461.db2.gz WRRWZNMUQLPKIN-IBGZPJMESA-N 2 1 294.442 3.975 20 0 CHADMP C[N@@H+](CCC1C[NH2+]C1)Cc1sc2ccccc2c1Cl ZINC001235947464 1130812941 /nfs/dbraw/zinc/81/29/41/1130812941.db2.gz BWHMAFXLEJVRNG-UHFFFAOYSA-N 2 1 294.851 3.596 20 0 CHADMP Cc1c(C)c(C)c(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c(C)c1C ZINC001235956789 1130816021 /nfs/dbraw/zinc/81/60/21/1130816021.db2.gz IIGHFORZUHHXKV-GOSISDBHSA-N 2 1 288.479 3.660 20 0 CHADMP c1ccc([C@@H]2CCC[N@H+](CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC001235958798 1130817145 /nfs/dbraw/zinc/81/71/45/1130817145.db2.gz AIOWLICSKAAUBV-PKOBYXMFSA-N 2 1 286.463 3.646 20 0 CHADMP C[N@H+](Cc1cccc(-c2ccccc2)c1)C[C@@H]1CCC[NH2+]C1 ZINC001235958314 1130817594 /nfs/dbraw/zinc/81/75/94/1130817594.db2.gz ZCEGEAROJOMGFB-GOSISDBHSA-N 2 1 294.442 3.785 20 0 CHADMP c1ccc(C2=CC[N@@H+](CC3CC4(C3)CC[NH2+]CC4)CC2)cc1 ZINC001235963289 1130819260 /nfs/dbraw/zinc/81/92/60/1130819260.db2.gz RKRGBPQRHQTFNK-UHFFFAOYSA-N 2 1 296.458 3.556 20 0 CHADMP CCC(CC)[N@@H+](CC)Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001235962286 1130819511 /nfs/dbraw/zinc/81/95/11/1130819511.db2.gz LKTBTJAXBHXZRN-UHFFFAOYSA-N 2 1 299.462 3.755 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)cc2)cc1 ZINC001235995468 1130825035 /nfs/dbraw/zinc/82/50/35/1130825035.db2.gz VYRWCVVVYZONEA-VQTJNVASSA-N 2 1 292.426 3.585 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)cc2)cc1 ZINC001235995468 1130825040 /nfs/dbraw/zinc/82/50/40/1130825040.db2.gz VYRWCVVVYZONEA-VQTJNVASSA-N 2 1 292.426 3.585 20 0 CHADMP C[N@@H+](CC1(C)CC[NH2+]CC1)C1CCC(C(C)(C)C)CC1 ZINC001236009847 1130832400 /nfs/dbraw/zinc/83/24/00/1130832400.db2.gz YGOKJVXURWXPGJ-UHFFFAOYSA-N 2 1 280.500 3.913 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC001236049859 1130839253 /nfs/dbraw/zinc/83/92/53/1130839253.db2.gz QZIOGPIHUXMEIT-CRAIPNDOSA-N 2 1 294.442 3.831 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC001236049859 1130839257 /nfs/dbraw/zinc/83/92/57/1130839257.db2.gz QZIOGPIHUXMEIT-CRAIPNDOSA-N 2 1 294.442 3.831 20 0 CHADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](C)Cc2ccc(C(C)C)cc2)C1 ZINC001236066776 1130845175 /nfs/dbraw/zinc/84/51/75/1130845175.db2.gz JMNBMUGIUVKIIC-SJLPKXTDSA-N 2 1 288.479 3.530 20 0 CHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(C3CCCCC3)cc2)C1 ZINC001236068435 1130847082 /nfs/dbraw/zinc/84/70/82/1130847082.db2.gz SRAYVMGXZFUFDA-KRWDZBQOSA-N 2 1 286.463 3.776 20 0 CHADMP C[C@H]1C[N@H+](Cc2ccc(-c3ccc(F)cc3)cc2)CCC[NH2+]1 ZINC001236095342 1130860059 /nfs/dbraw/zinc/86/00/59/1130860059.db2.gz QUYAFIBCEQHNBL-HNNXBMFYSA-N 2 1 298.405 3.677 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)CCC[NH2+]1 ZINC001236095342 1130860061 /nfs/dbraw/zinc/86/00/61/1130860061.db2.gz QUYAFIBCEQHNBL-HNNXBMFYSA-N 2 1 298.405 3.677 20 0 CHADMP CC1(C)[C@@H]2C[C@@H]([N@@H+](C3CCC3)[C@H]3CC[C@H]([NH3+])CC3)C[C@@H]21 ZINC001170740117 1130861057 /nfs/dbraw/zinc/86/10/57/1130861057.db2.gz UPYHJDAFHJAZBL-XHEWNVNKSA-N 2 1 276.468 3.545 20 0 CHADMP Cc1ccc(-c2cccc(C[N@@H+]3CCC[NH2+][C@@H](C)C3)c2)cc1 ZINC001236100506 1130862345 /nfs/dbraw/zinc/86/23/45/1130862345.db2.gz KJNIPJYGZXOKLG-KRWDZBQOSA-N 2 1 294.442 3.846 20 0 CHADMP Cc1ccc(-c2cccc(C[N@H+]3CCC[NH2+][C@@H](C)C3)c2)cc1 ZINC001236100506 1130862350 /nfs/dbraw/zinc/86/23/50/1130862350.db2.gz KJNIPJYGZXOKLG-KRWDZBQOSA-N 2 1 294.442 3.846 20 0 CHADMP C[N@@H+](CCCC[NH3+])Cc1cc(Cl)cc(Cl)c1Cl ZINC001236142179 1130868645 /nfs/dbraw/zinc/86/86/45/1130868645.db2.gz RYKCRWSPAMRROH-UHFFFAOYSA-N 2 1 295.641 3.818 20 0 CHADMP C[N@@H+](CCCC[NH3+])Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001236142667 1130874676 /nfs/dbraw/zinc/87/46/76/1130874676.db2.gz ZOBLXMIKGNSFMH-UHFFFAOYSA-N 2 1 294.748 3.530 20 0 CHADMP C[N@@H+](CCCC[NH3+])CCCc1ccc(Cl)c(Cl)c1 ZINC001236143919 1130875573 /nfs/dbraw/zinc/87/55/73/1130875573.db2.gz VUYNWHPNCQQMAU-UHFFFAOYSA-N 2 1 289.250 3.597 20 0 CHADMP C[N@@H+](Cc1ccc(C[NH3+])cc1)C(C)(C)Cc1ccccc1 ZINC001236155406 1130877281 /nfs/dbraw/zinc/87/72/81/1130877281.db2.gz MGQUAIYAMBHQLF-UHFFFAOYSA-N 2 1 282.431 3.598 20 0 CHADMP [NH3+]CCCCC[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001236153020 1130877412 /nfs/dbraw/zinc/87/74/12/1130877412.db2.gz XPCUJYOUDWAEAW-OAHLLOKOSA-N 2 1 266.816 3.606 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)CCCCCc2ccccc2)CC1 ZINC001236213898 1130890086 /nfs/dbraw/zinc/89/00/86/1130890086.db2.gz YAWXVXGTRYLTKH-UHFFFAOYSA-N 2 1 288.479 3.862 20 0 CHADMP C[N@H+](Cc1c[nH]c2ccc(Cl)cc12)[C@H]1CCCC[C@H]1[NH3+] ZINC001236212959 1130890507 /nfs/dbraw/zinc/89/05/07/1130890507.db2.gz MWCLREHYNDGFBT-ZBFHGGJFSA-N 2 1 291.826 3.523 20 0 CHADMP C[N@@H+](Cc1c[nH]c2ccc(Cl)cc12)[C@H]1CCCC[C@H]1[NH3+] ZINC001236212959 1130890513 /nfs/dbraw/zinc/89/05/13/1130890513.db2.gz MWCLREHYNDGFBT-ZBFHGGJFSA-N 2 1 291.826 3.523 20 0 CHADMP C[N@@H+](Cc1cccc2sccc21)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236214545 1130891600 /nfs/dbraw/zinc/89/16/00/1130891600.db2.gz FSPQWLVATJOUPH-GJZGRUSLSA-N 2 1 274.433 3.603 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)C[C@@H](C)CCC=C(C)C)CC1 ZINC001236217509 1130893347 /nfs/dbraw/zinc/89/33/47/1130893347.db2.gz PVKORLOSBDADIZ-GTPINHCMSA-N 2 1 266.473 3.831 20 0 CHADMP C[N@H+](Cc1c[nH]c2cc(Cl)ccc12)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217390 1130893415 /nfs/dbraw/zinc/89/34/15/1130893415.db2.gz OUSOCJBSSISPIC-GOEBONIOSA-N 2 1 291.826 3.523 20 0 CHADMP C[N@@H+](Cc1c[nH]c2cc(Cl)ccc12)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217390 1130893423 /nfs/dbraw/zinc/89/34/23/1130893423.db2.gz OUSOCJBSSISPIC-GOEBONIOSA-N 2 1 291.826 3.523 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+](C)C3(C)CC[NH2+]CC3)cc2)o1 ZINC001236227013 1130896618 /nfs/dbraw/zinc/89/66/18/1130896618.db2.gz XFMWOFFASRIAFG-UHFFFAOYSA-N 2 1 298.430 3.829 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+](C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236223768 1130897185 /nfs/dbraw/zinc/89/71/85/1130897185.db2.gz OYTLSIFANXETEF-SHTZXODSSA-N 2 1 280.843 3.659 20 0 CHADMP CSc1cccc(Cl)c1C[N@@H+](C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236223509 1130897487 /nfs/dbraw/zinc/89/74/87/1130897487.db2.gz ODWPQGYDZQJEEQ-HAQNSBGRSA-N 2 1 298.883 3.764 20 0 CHADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)C[C@@H]21 ZINC001170758855 1130900495 /nfs/dbraw/zinc/90/04/95/1130900495.db2.gz YDCDXMIHMZICCS-XLAORIBOSA-N 2 1 290.495 3.761 20 0 CHADMP CC[N@@H+](CCCCC[NH3+])Cc1ccc(Cl)cc1Cl ZINC001236266557 1130909621 /nfs/dbraw/zinc/90/96/21/1130909621.db2.gz TYSDDKSWXNMWQU-UHFFFAOYSA-N 2 1 289.250 3.944 20 0 CHADMP Fc1cccc(C[N@H+](Cc2ccccc2)C2CC[NH2+]CC2)c1 ZINC001236288441 1130911161 /nfs/dbraw/zinc/91/11/61/1130911161.db2.gz ZFSJKFBDCDVIQT-UHFFFAOYSA-N 2 1 298.405 3.580 20 0 CHADMP Fc1cccc(C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)c1 ZINC001236288441 1130911164 /nfs/dbraw/zinc/91/11/64/1130911164.db2.gz ZFSJKFBDCDVIQT-UHFFFAOYSA-N 2 1 298.405 3.580 20 0 CHADMP CC[C@H]([NH3+])C[N@@H+]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001236302667 1130911387 /nfs/dbraw/zinc/91/13/87/1130911387.db2.gz ARASUSHKHSTUCC-KBPBESRZSA-N 2 1 286.341 3.580 20 0 CHADMP CC[C@H]([NH3+])C[N@H+]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001236302667 1130911390 /nfs/dbraw/zinc/91/13/90/1130911390.db2.gz ARASUSHKHSTUCC-KBPBESRZSA-N 2 1 286.341 3.580 20 0 CHADMP C[C@H](CC[N@H+]1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C1)CC(C)(C)C ZINC001236354522 1130916974 /nfs/dbraw/zinc/91/69/74/1130916974.db2.gz KFBCFTYHFNSHAV-FRRDWIJNSA-N 2 1 294.405 3.660 20 0 CHADMP CC[N@H+](Cc1ccccc1-c1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC001236407442 1130930942 /nfs/dbraw/zinc/93/09/42/1130930942.db2.gz FKTMOAVZPBNWCR-QGZVFWFLSA-N 2 1 294.442 3.785 20 0 CHADMP CC[N@H+](Cc1cccc(-c2ccccc2)c1)C[C@@H]1CC[NH2+]C1 ZINC001236407149 1130931621 /nfs/dbraw/zinc/93/16/21/1130931621.db2.gz CNSLYAMWVOKJHM-GOSISDBHSA-N 2 1 294.442 3.785 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1CCC[C@@H]([NH3+])[C@H]1C ZINC001236421694 1130936513 /nfs/dbraw/zinc/93/65/13/1130936513.db2.gz SPHJYFLUXLZHRB-OXQOHEQNSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C ZINC001236421694 1130936516 /nfs/dbraw/zinc/93/65/16/1130936516.db2.gz SPHJYFLUXLZHRB-OXQOHEQNSA-N 2 1 294.442 3.974 20 0 CHADMP CC(C)=CCCC1=CC[C@H](C[N@H+]2CC[C@@](F)(C[NH3+])C2)CC1 ZINC001236433770 1130941056 /nfs/dbraw/zinc/94/10/56/1130941056.db2.gz IKTXJMDWUYMVND-ZWKOTPCHSA-N 2 1 294.458 3.832 20 0 CHADMP CCc1cccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236457325 1130946689 /nfs/dbraw/zinc/94/66/89/1130946689.db2.gz MDUWIKRMANLOSE-UHFFFAOYSA-N 2 1 288.479 3.849 20 0 CHADMP Cc1cccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1C ZINC001236456715 1130946709 /nfs/dbraw/zinc/94/67/09/1130946709.db2.gz FWDNZANRXOLGDH-UHFFFAOYSA-N 2 1 288.479 3.904 20 0 CHADMP CC(C)(C)C[N@@H+](Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001236458895 1130946945 /nfs/dbraw/zinc/94/69/45/1130946945.db2.gz ZVZKHKBXIWGDCD-UHFFFAOYSA-N 2 1 296.405 3.565 20 0 CHADMP CCCCC[N@@H+](Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001236500178 1130959156 /nfs/dbraw/zinc/95/91/56/1130959156.db2.gz YETXOQQNRTXBCG-UHFFFAOYSA-N 2 1 296.405 3.709 20 0 CHADMP Cc1cccc(C[N@@H+](Cc2ccc(C[NH3+])cc2)C2CC2)c1C ZINC001236533764 1130967590 /nfs/dbraw/zinc/96/75/90/1130967590.db2.gz AFTVEKKYMRNUBI-UHFFFAOYSA-N 2 1 294.442 3.927 20 0 CHADMP CC(C)C[N@@H+](Cc1ccc(F)cc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551521 1130973359 /nfs/dbraw/zinc/97/33/59/1130973359.db2.gz QZZJRPZPFQADGA-WKILWMFISA-N 2 1 296.405 3.693 20 0 CHADMP CC1=C[C@H](C)[C@H](C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001236550768 1130973385 /nfs/dbraw/zinc/97/33/85/1130973385.db2.gz GXPASSPIWZRITQ-WNHJNPCNSA-N 2 1 290.495 3.961 20 0 CHADMP CC1=C[C@@H](C)[C@@H](C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001236550761 1130973503 /nfs/dbraw/zinc/97/35/03/1130973503.db2.gz GXPASSPIWZRITQ-NXWXRZEISA-N 2 1 290.495 3.961 20 0 CHADMP CC/C=C\CCC[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550949 1130973684 /nfs/dbraw/zinc/97/36/84/1130973684.db2.gz JITNJDGEXYYDGR-VHVAZGQRSA-N 2 1 264.457 3.715 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCC2CCCC2)C2CCC2)CC1 ZINC001236572544 1130978055 /nfs/dbraw/zinc/97/80/55/1130978055.db2.gz RFFODYVMLYSQJN-JCNLHEQBSA-N 2 1 264.457 3.691 20 0 CHADMP CCc1ccc(C[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)s1 ZINC001236571788 1130978194 /nfs/dbraw/zinc/97/81/94/1130978194.db2.gz DBFRVCCHLWSFDW-CTYIDZIISA-N 2 1 292.492 3.935 20 0 CHADMP Cc1cc(F)ccc1C[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236573462 1130978736 /nfs/dbraw/zinc/97/87/36/1130978736.db2.gz YDMWSNGIWLVMMJ-SAABIXHNSA-N 2 1 290.426 3.759 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236584861 1130980372 /nfs/dbraw/zinc/98/03/72/1130980372.db2.gz XKYXBPYHPWJYTK-SJORKVTESA-N 2 1 278.484 3.833 20 0 CHADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC001236605953 1130983446 /nfs/dbraw/zinc/98/34/46/1130983446.db2.gz XJJVTXZWSPOOOD-VQIMIIECSA-N 2 1 288.479 3.659 20 0 CHADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC001236605950 1130984278 /nfs/dbraw/zinc/98/42/78/1130984278.db2.gz XJJVTXZWSPOOOD-APWZRJJASA-N 2 1 288.479 3.659 20 0 CHADMP Cc1cc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)ccc1Cl ZINC001236637508 1130986584 /nfs/dbraw/zinc/98/65/84/1130986584.db2.gz QXCDBWHYFIGVBR-UHFFFAOYSA-N 2 1 292.854 3.755 20 0 CHADMP CCC(CC)[N@@H+](C[C@H]1C[C@H]2C=C[C@@H]1C2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782444 1131006934 /nfs/dbraw/zinc/00/69/34/1131006934.db2.gz KHPGCGIKYUAVLU-ATIFRJIPSA-N 2 1 290.495 3.959 20 0 CHADMP CCC(CC)[N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236783353 1131007131 /nfs/dbraw/zinc/00/71/31/1131007131.db2.gz TVLGROIVIUSLRD-JCNLHEQBSA-N 2 1 266.473 3.937 20 0 CHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3-c3cccs3)C[C@@H]12 ZINC001236819767 1131013851 /nfs/dbraw/zinc/01/38/51/1131013851.db2.gz OEYZUQKRFQXZMY-USXIJHARSA-N 2 1 298.455 3.584 20 0 CHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(-c4cccs4)cc3)C[C@@H]12 ZINC001236830781 1131016203 /nfs/dbraw/zinc/01/62/03/1131016203.db2.gz OTDSBZLYUFNOCZ-GVDBMIGSSA-N 2 1 298.455 3.584 20 0 CHADMP CCC[N@H+](Cc1cccc2ccccc21)C[C@H]1CC[NH2+]C1 ZINC001236836290 1131018051 /nfs/dbraw/zinc/01/80/51/1131018051.db2.gz UPYPYXSMRRUPQS-INIZCTEOSA-N 2 1 282.431 3.661 20 0 CHADMP CCC[N@H+](Cc1ccc(CC(C)C)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236843476 1131020320 /nfs/dbraw/zinc/02/03/20/1131020320.db2.gz OZIGJFGCFLLQMA-LJQANCHMSA-N 2 1 288.479 3.707 20 0 CHADMP CCC[N@H+](Cc1ccccc1C(C)C)C[C@H]1CC[NH2+]C1 ZINC001236844190 1131021835 /nfs/dbraw/zinc/02/18/35/1131021835.db2.gz UVUYIZKMBVKDGW-INIZCTEOSA-N 2 1 274.452 3.632 20 0 CHADMP CCC[N@H+](Cc1cc(C)cc(SC)c1)C[C@H]1CC[NH2+]C1 ZINC001236843955 1131021975 /nfs/dbraw/zinc/02/19/75/1131021975.db2.gz NQEFRNJDANUPBE-HNNXBMFYSA-N 2 1 292.492 3.538 20 0 CHADMP CCC(CC)[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](C)c1ccccc1 ZINC001236858504 1131023277 /nfs/dbraw/zinc/02/32/77/1131023277.db2.gz CIWZQZDTFOJESZ-CVEARBPZSA-N 2 1 274.452 3.848 20 0 CHADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237060289 1131042024 /nfs/dbraw/zinc/04/20/24/1131042024.db2.gz ZHJYGYOCCVHRDX-SJLPKXTDSA-N 2 1 298.515 3.669 20 0 CHADMP C[C@H](c1cccc(Br)c1)[N@@H+](C)CCCCC[NH3+] ZINC001237057980 1131042852 /nfs/dbraw/zinc/04/28/52/1131042852.db2.gz OSYOPXDUWPDLIQ-GFCCVEGCSA-N 2 1 299.256 3.571 20 0 CHADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1(c2ccccc2)CCCC1 ZINC001237082904 1131047516 /nfs/dbraw/zinc/04/75/16/1131047516.db2.gz UQJJYEKVTYAYKI-JLYLLQBASA-N 2 1 298.474 3.700 20 0 CHADMP C[C@@H](C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000798957080 1131065087 /nfs/dbraw/zinc/06/50/87/1131065087.db2.gz MLCRSCUWXZEEEM-KRWDZBQOSA-N 2 1 286.463 3.598 20 0 CHADMP C/C(=C/c1ccccc1)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798957451 1131065340 /nfs/dbraw/zinc/06/53/40/1131065340.db2.gz XMNLQRNXKOOBHE-SDXDJHTJSA-N 2 1 298.474 3.898 20 0 CHADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc4cccccc3-4)C2)CC1 ZINC001237193542 1131068107 /nfs/dbraw/zinc/06/81/07/1131068107.db2.gz QKJKGVDFFMVIFA-UHFFFAOYSA-N 2 1 294.442 3.709 20 0 CHADMP CC(C)CCC[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237274410 1131076400 /nfs/dbraw/zinc/07/64/00/1131076400.db2.gz CAFAYCKRLYYWND-UHFFFAOYSA-N 2 1 286.463 3.560 20 0 CHADMP CCCCCC[N@@H+]1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237300850 1131081278 /nfs/dbraw/zinc/08/12/78/1131081278.db2.gz PWSHPYIHSGQHCO-UHFFFAOYSA-N 2 1 272.436 3.661 20 0 CHADMP CCCCCC[N@H+]1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237300850 1131081284 /nfs/dbraw/zinc/08/12/84/1131081284.db2.gz PWSHPYIHSGQHCO-UHFFFAOYSA-N 2 1 272.436 3.661 20 0 CHADMP CC(C)(C)CC[N@H+]1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237300470 1131082110 /nfs/dbraw/zinc/08/21/10/1131082110.db2.gz MFFKTXXBMOTTGT-UHFFFAOYSA-N 2 1 272.436 3.517 20 0 CHADMP c1ccc(C2(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)CCCC2)cc1 ZINC001237381234 1131092597 /nfs/dbraw/zinc/09/25/97/1131092597.db2.gz IIISACWTQMMXLP-HKUYNNGSSA-N 2 1 298.474 3.572 20 0 CHADMP c1cc(C2CCC2)ccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237417202 1131097178 /nfs/dbraw/zinc/09/71/78/1131097178.db2.gz UBRKCPNKFGKUNY-RBUKOAKNSA-N 2 1 284.447 3.528 20 0 CHADMP Fc1cccc2c(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cccc12 ZINC001237409941 1131097464 /nfs/dbraw/zinc/09/74/64/1131097464.db2.gz CFNYNTVCCWFRBN-BEFAXECRSA-N 2 1 298.405 3.553 20 0 CHADMP CC[NH+]1CCC([N@H+](C)Cc2cccc(Cl)c2C)CC1 ZINC001237738788 1131136425 /nfs/dbraw/zinc/13/64/25/1131136425.db2.gz VHKMPZZVAZJOMC-UHFFFAOYSA-N 2 1 280.843 3.565 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc(Cl)c2C)CC1 ZINC001237738788 1131136429 /nfs/dbraw/zinc/13/64/29/1131136429.db2.gz VHKMPZZVAZJOMC-UHFFFAOYSA-N 2 1 280.843 3.565 20 0 CHADMP CC[NH+](CC)C1CC[NH+](CCCc2ccc(C)cc2)CC1 ZINC001116551636 1131154353 /nfs/dbraw/zinc/15/43/53/1131154353.db2.gz QTEDCIJDWPLWES-UHFFFAOYSA-N 2 1 288.479 3.734 20 0 CHADMP Cc1sccc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001237966038 1131156430 /nfs/dbraw/zinc/15/64/30/1131156430.db2.gz FVMZVUNPXJVKCM-DLBZAZTESA-N 2 1 292.492 3.895 20 0 CHADMP Cc1sccc1C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001237966038 1131156432 /nfs/dbraw/zinc/15/64/32/1131156432.db2.gz FVMZVUNPXJVKCM-DLBZAZTESA-N 2 1 292.492 3.895 20 0 CHADMP Cc1sccc1C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001237966038 1131156436 /nfs/dbraw/zinc/15/64/36/1131156436.db2.gz FVMZVUNPXJVKCM-DLBZAZTESA-N 2 1 292.492 3.895 20 0 CHADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(SC(F)F)cc1 ZINC000817959180 1131192848 /nfs/dbraw/zinc/19/28/48/1131192848.db2.gz PXBVLSOJFYFFRP-MFKMUULPSA-N 2 1 288.407 3.635 20 0 CHADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccccc1SC(C)(C)C ZINC000817961379 1131193033 /nfs/dbraw/zinc/19/30/33/1131193033.db2.gz XVJWSAAJHJQFJS-WFASDCNBSA-N 2 1 292.492 3.965 20 0 CHADMP CCCCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138543628 1131518390 /nfs/dbraw/zinc/51/83/90/1131518390.db2.gz RSTCOPVQQHTCKC-UHFFFAOYSA-N 2 1 271.408 3.803 20 0 CHADMP CCCCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138543628 1131518393 /nfs/dbraw/zinc/51/83/93/1131518393.db2.gz RSTCOPVQQHTCKC-UHFFFAOYSA-N 2 1 271.408 3.803 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@H](F)CC2)cc1 ZINC001138544653 1131518639 /nfs/dbraw/zinc/51/86/39/1131518639.db2.gz MCNVSXJOERHJJY-INIZCTEOSA-N 2 1 287.382 3.505 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@H](F)CC2)cc1 ZINC001138544653 1131518640 /nfs/dbraw/zinc/51/86/40/1131518640.db2.gz MCNVSXJOERHJJY-INIZCTEOSA-N 2 1 287.382 3.505 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@H](C)[C@H]2C)cc1 ZINC001138547074 1131518927 /nfs/dbraw/zinc/51/89/27/1131518927.db2.gz DPKPYVGFQXNDQZ-LSDHHAIUSA-N 2 1 283.419 3.801 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2C)cc1 ZINC001138547074 1131518929 /nfs/dbraw/zinc/51/89/29/1131518929.db2.gz DPKPYVGFQXNDQZ-LSDHHAIUSA-N 2 1 283.419 3.801 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC001138548294 1131520104 /nfs/dbraw/zinc/52/01/04/1131520104.db2.gz DGPLMZHBWDZYSO-PKOBYXMFSA-N 2 1 295.430 3.945 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC001138548294 1131520108 /nfs/dbraw/zinc/52/01/08/1131520108.db2.gz DGPLMZHBWDZYSO-PKOBYXMFSA-N 2 1 295.430 3.945 20 0 CHADMP Cc1nccn1-c1ccc(C[N@@H+](C)C[C@@H]2CC2(C)C)cc1 ZINC001138549079 1131520257 /nfs/dbraw/zinc/52/02/57/1131520257.db2.gz QLEWHENYENWKHB-INIZCTEOSA-N 2 1 283.419 3.659 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)C[C@@H]2CC2(C)C)cc1 ZINC001138549079 1131520260 /nfs/dbraw/zinc/52/02/60/1131520260.db2.gz QLEWHENYENWKHB-INIZCTEOSA-N 2 1 283.419 3.659 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)C[C@@H]2CC2(C)C)cc1 ZINC001138549079 1131520264 /nfs/dbraw/zinc/52/02/64/1131520264.db2.gz QLEWHENYENWKHB-INIZCTEOSA-N 2 1 283.419 3.659 20 0 CHADMP CCCCCC[C@H](CCCC)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246545276 1131591587 /nfs/dbraw/zinc/59/15/87/1131591587.db2.gz VPHFBBUVOCAVEV-ZWKOTPCHSA-N 2 1 298.515 3.691 20 0 CHADMP CCCCC[C@@H](CCC)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246548318 1131598286 /nfs/dbraw/zinc/59/82/86/1131598286.db2.gz FWBHIBYPKCXPAS-HZPDHXFCSA-N 2 1 254.462 3.939 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(-n2cccc2)cc1 ZINC001144251441 1131607380 /nfs/dbraw/zinc/60/73/80/1131607380.db2.gz GHTQNFUIJOHWNZ-UHFFFAOYSA-N 2 1 299.462 3.641 20 0 CHADMP C[C@@H]1CC[N@H+]([C@@H]2CCCC3(CCCCC3)C2)C[C@@H]1C[NH3+] ZINC001246554291 1131612579 /nfs/dbraw/zinc/61/25/79/1131612579.db2.gz UYYHFKDVZLCTJU-IXDOHACOSA-N 2 1 278.484 3.796 20 0 CHADMP Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cc[nH+]c(C)c3F)c2c1 ZINC001171166340 1131619261 /nfs/dbraw/zinc/61/92/61/1131619261.db2.gz BUXOJZSRQRYQDV-GFCCVEGCSA-N 2 1 297.377 3.671 20 0 CHADMP Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3c(C)cc[nH+]c3C)c2c1 ZINC001171168132 1131620346 /nfs/dbraw/zinc/62/03/46/1131620346.db2.gz KEIPTHVBXTWPKA-CQSZACIVSA-N 2 1 293.414 3.840 20 0 CHADMP CCCC1CCC([N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC001246559494 1131621450 /nfs/dbraw/zinc/62/14/50/1131621450.db2.gz ANMRFDJWFNXGGN-GYXIZQIFSA-N 2 1 266.473 3.652 20 0 CHADMP CCCC1CCC([N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)CC1 ZINC001246563373 1131624322 /nfs/dbraw/zinc/62/43/22/1131624322.db2.gz WUSMVFDDMKGZDD-SOEBMCCKSA-N 2 1 266.473 3.652 20 0 CHADMP C[NH+](C)CCC[N@H+](C)Cc1ccc2oc3ccccc3c2c1 ZINC001139751707 1131634042 /nfs/dbraw/zinc/63/40/42/1131634042.db2.gz ZWZXNBQGMXMXLM-UHFFFAOYSA-N 2 1 296.414 3.970 20 0 CHADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc2oc3ccccc3c2c1 ZINC001139751707 1131634045 /nfs/dbraw/zinc/63/40/45/1131634045.db2.gz ZWZXNBQGMXMXLM-UHFFFAOYSA-N 2 1 296.414 3.970 20 0 CHADMP CC[NH+]1CCC([N@H+](C)Cc2ccccc2C(F)F)CC1 ZINC001139799610 1131637518 /nfs/dbraw/zinc/63/75/18/1131637518.db2.gz USINBSLSZOVZLP-UHFFFAOYSA-N 2 1 282.378 3.540 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)Cc2ccccc2C(F)F)CC1 ZINC001139799610 1131637527 /nfs/dbraw/zinc/63/75/27/1131637527.db2.gz USINBSLSZOVZLP-UHFFFAOYSA-N 2 1 282.378 3.540 20 0 CHADMP C[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)C[C@@H]1C ZINC001246574958 1131660905 /nfs/dbraw/zinc/66/09/05/1131660905.db2.gz OZKVDFHKJLEFOX-QXSJWSMHSA-N 2 1 266.473 3.521 20 0 CHADMP CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246584493 1131689361 /nfs/dbraw/zinc/68/93/61/1131689361.db2.gz XAEOWBKCLGRFJQ-XHSDSOJGSA-N 2 1 272.452 3.600 20 0 CHADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246584493 1131689363 /nfs/dbraw/zinc/68/93/63/1131689363.db2.gz XAEOWBKCLGRFJQ-XHSDSOJGSA-N 2 1 272.452 3.600 20 0 CHADMP CC[N@@H+](CCCCCC[NH3+])Cc1cccc(Cl)c1 ZINC000846218916 1131700830 /nfs/dbraw/zinc/70/08/30/1131700830.db2.gz YUUYTWAPTCYNPS-UHFFFAOYSA-N 2 1 268.832 3.681 20 0 CHADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])CC[C@@H]1c1ccccc1 ZINC000846219085 1131700987 /nfs/dbraw/zinc/70/09/87/1131700987.db2.gz FYUGMLWUAOQQKC-AEFFLSMTSA-N 2 1 274.452 3.631 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000846219405 1131701751 /nfs/dbraw/zinc/70/17/51/1131701751.db2.gz PYWGVVOXNVJWKM-QGZVFWFLSA-N 2 1 278.415 3.872 20 0 CHADMP CC[N@@H+](CCCCCC[NH3+])[C@@H](C)c1ccc(F)cc1 ZINC000846218356 1131701819 /nfs/dbraw/zinc/70/18/19/1131701819.db2.gz MJFURNYHLSTKRH-AWEZNQCLSA-N 2 1 266.404 3.728 20 0 CHADMP CCCC[C@@H]1C[C@@H]([NH+]2CCC3(CCC3)CC2)CC[NH2+]1 ZINC001246614259 1131718700 /nfs/dbraw/zinc/71/87/00/1131718700.db2.gz AIUPVPFDAHGKSQ-CVEARBPZSA-N 2 1 264.457 3.563 20 0 CHADMP Cc1ccccc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000834893490 1131720286 /nfs/dbraw/zinc/72/02/86/1131720286.db2.gz OGFCZNYRLSFTQE-PHSGOXPASA-N 2 1 286.463 3.907 20 0 CHADMP CCCCCC[C@H](C)[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246642732 1131764401 /nfs/dbraw/zinc/76/44/01/1131764401.db2.gz JFBWRJLFWAMOTI-JKSUJKDBSA-N 2 1 252.446 3.563 20 0 CHADMP CC(C)CCC[C@H](C)[N@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001246641712 1131765702 /nfs/dbraw/zinc/76/57/02/1131765702.db2.gz XEAHINOTJJFUOK-LSDHHAIUSA-N 2 1 288.426 3.522 20 0 CHADMP CC(C)=CCC[C@@H](C)[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001246642849 1131765831 /nfs/dbraw/zinc/76/58/31/1131765831.db2.gz CYVNDIHPRVTRHL-SJLPKXTDSA-N 2 1 278.484 3.975 20 0 CHADMP C1C[N@@H+]([C@H]2CCCC3(CCCCC3)C2)[C@@]2(C1)CC[NH2+]C2 ZINC001246646526 1131774345 /nfs/dbraw/zinc/77/43/45/1131774345.db2.gz FRHKVRHVDWRAGA-WMZOPIPTSA-N 2 1 276.468 3.707 20 0 CHADMP C1C[C@@H]2C[N@@H+](C3CCC4(CCCCC4)CC3)CC[C@@H]2[NH2+]1 ZINC001246656790 1131778192 /nfs/dbraw/zinc/77/81/92/1131778192.db2.gz FKRCMXHSKDCWJT-WBVHZDCISA-N 2 1 276.468 3.563 20 0 CHADMP C1C[C@@H]2C[N@H+](C3CCC4(CCCCC4)CC3)CC[C@@H]2[NH2+]1 ZINC001246656790 1131778197 /nfs/dbraw/zinc/77/81/97/1131778197.db2.gz FKRCMXHSKDCWJT-WBVHZDCISA-N 2 1 276.468 3.563 20 0 CHADMP CCC[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246776629 1131780980 /nfs/dbraw/zinc/78/09/80/1131780980.db2.gz LITAGRPVHPVJCC-QZTJIDSGSA-N 2 1 274.452 3.675 20 0 CHADMP CCCCC[C@H](CCC)[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246693716 1131782000 /nfs/dbraw/zinc/78/20/00/1131782000.db2.gz QGRVIHYNLIELSU-ULQDDVLXSA-N 2 1 284.463 3.759 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](c2ccccc2)C1(C)C ZINC001171267914 1131782279 /nfs/dbraw/zinc/78/22/79/1131782279.db2.gz UKJQWPHMROHZOD-QZTJIDSGSA-N 2 1 286.463 3.739 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](c2ccccc2)C1(C)C ZINC001171267914 1131782285 /nfs/dbraw/zinc/78/22/85/1131782285.db2.gz UKJQWPHMROHZOD-QZTJIDSGSA-N 2 1 286.463 3.739 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](c2ccccc2)C1(C)C ZINC001171267914 1131782290 /nfs/dbraw/zinc/78/22/90/1131782290.db2.gz UKJQWPHMROHZOD-QZTJIDSGSA-N 2 1 286.463 3.739 20 0 CHADMP CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]3CCC[C@H]32)C[C@H](CC)[NH2+]1 ZINC001246819819 1131786185 /nfs/dbraw/zinc/78/61/85/1131786185.db2.gz KGOYGVFCENPQNR-NQNKBUKLSA-N 2 1 264.457 3.560 20 0 CHADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H]3CCC[C@H]32)C[C@H](CC)[NH2+]1 ZINC001246819819 1131786188 /nfs/dbraw/zinc/78/61/88/1131786188.db2.gz KGOYGVFCENPQNR-NQNKBUKLSA-N 2 1 264.457 3.560 20 0 CHADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001247002550 1131839674 /nfs/dbraw/zinc/83/96/74/1131839674.db2.gz NFBOLNGHMBKDER-XHSDSOJGSA-N 2 1 254.462 3.508 20 0 CHADMP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1cccc(Cl)c1 ZINC001140802794 1131926502 /nfs/dbraw/zinc/92/65/02/1131926502.db2.gz DUWZIQZRMLYPBW-UHFFFAOYSA-N 2 1 285.778 3.848 20 0 CHADMP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1cccc(Cl)c1 ZINC001140802794 1131926506 /nfs/dbraw/zinc/92/65/06/1131926506.db2.gz DUWZIQZRMLYPBW-UHFFFAOYSA-N 2 1 285.778 3.848 20 0 CHADMP C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140804835 1131928231 /nfs/dbraw/zinc/92/82/31/1131928231.db2.gz HJRIAHMOHMTQSA-CYBMUJFWSA-N 2 1 277.371 3.510 20 0 CHADMP C[C@@H]1Cc2ccccc2C[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140804835 1131928237 /nfs/dbraw/zinc/92/82/37/1131928237.db2.gz HJRIAHMOHMTQSA-CYBMUJFWSA-N 2 1 277.371 3.510 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@H+](Cc1ccccc1)C1CC1 ZINC001140804980 1131928744 /nfs/dbraw/zinc/92/87/44/1131928744.db2.gz MTNMXQPANONTHM-UHFFFAOYSA-N 2 1 277.371 3.728 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+](Cc1ccccc1)C1CC1 ZINC001140804980 1131928756 /nfs/dbraw/zinc/92/87/56/1131928756.db2.gz MTNMXQPANONTHM-UHFFFAOYSA-N 2 1 277.371 3.728 20 0 CHADMP Cc1ccc(C[N@@H+](C)Cc2c[nH]c3ccncc23)cc1C ZINC001140805600 1131929030 /nfs/dbraw/zinc/92/90/30/1131929030.db2.gz JZYSVKADWNBCDH-UHFFFAOYSA-N 2 1 279.387 3.812 20 0 CHADMP Cc1ccc(C[N@H+](C)Cc2cnc3cc[nH]cc2-3)cc1C ZINC001140805600 1131929035 /nfs/dbraw/zinc/92/90/35/1131929035.db2.gz JZYSVKADWNBCDH-UHFFFAOYSA-N 2 1 279.387 3.812 20 0 CHADMP Cc1ccc(C[N@H+](C)Cc2c[nH]c3cc[nH+]cc23)cc1C ZINC001140805600 1131929044 /nfs/dbraw/zinc/92/90/44/1131929044.db2.gz JZYSVKADWNBCDH-UHFFFAOYSA-N 2 1 279.387 3.812 20 0 CHADMP Cc1ccc(C[N@@H+](C)Cc2c[nH]c3cc[nH+]cc23)cc1C ZINC001140805600 1131929046 /nfs/dbraw/zinc/92/90/46/1131929046.db2.gz JZYSVKADWNBCDH-UHFFFAOYSA-N 2 1 279.387 3.812 20 0 CHADMP F[C@H]1CCC2(C1)CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140804724 1131931188 /nfs/dbraw/zinc/93/11/88/1131931188.db2.gz BNRSCHVDDBQOLK-AWEZNQCLSA-N 2 1 287.382 3.667 20 0 CHADMP C1=C[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000716694223 1132029398 /nfs/dbraw/zinc/02/93/98/1132029398.db2.gz RXQMHMAWRPAOLN-FFGOWVMKSA-N 2 1 296.458 3.595 20 0 CHADMP C[N@H+](Cc1ccc(F)cc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171628870 1132061167 /nfs/dbraw/zinc/06/11/67/1132061167.db2.gz KMPGCAWEHIEIIK-UHFFFAOYSA-N 2 1 292.442 3.909 20 0 CHADMP C[N@@H+](Cc1ccc(F)cc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171628870 1132061174 /nfs/dbraw/zinc/06/11/74/1132061174.db2.gz KMPGCAWEHIEIIK-UHFFFAOYSA-N 2 1 292.442 3.909 20 0 CHADMP C[C@@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1cccc(O)c1 ZINC001171619566 1132064613 /nfs/dbraw/zinc/06/46/13/1132064613.db2.gz PLQHXLQUOBVWEG-CYBMUJFWSA-N 2 1 290.451 3.694 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](Oc2cccc([C@@H](C)[NH+](C)C)c2)C1 ZINC001229621137 1132096422 /nfs/dbraw/zinc/09/64/22/1132096422.db2.gz FDQRSWWBKVFDHX-QAPCUYQASA-N 2 1 290.451 3.561 20 0 CHADMP C[C@H]1CC[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171975471 1132117419 /nfs/dbraw/zinc/11/74/19/1132117419.db2.gz DCWFEUXTHBFQFX-RDJZCZTQSA-N 2 1 272.436 3.524 20 0 CHADMP C[C@H]1CC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171975471 1132117424 /nfs/dbraw/zinc/11/74/24/1132117424.db2.gz DCWFEUXTHBFQFX-RDJZCZTQSA-N 2 1 272.436 3.524 20 0 CHADMP C[C@H]1CC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975471 1132117427 /nfs/dbraw/zinc/11/74/27/1132117427.db2.gz DCWFEUXTHBFQFX-RDJZCZTQSA-N 2 1 272.436 3.524 20 0 CHADMP C[C@H]1CC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975471 1132117431 /nfs/dbraw/zinc/11/74/31/1132117431.db2.gz DCWFEUXTHBFQFX-RDJZCZTQSA-N 2 1 272.436 3.524 20 0 CHADMP C[C@@H]1CC[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171975472 1132117625 /nfs/dbraw/zinc/11/76/25/1132117625.db2.gz DCWFEUXTHBFQFX-WBVHZDCISA-N 2 1 272.436 3.524 20 0 CHADMP C[C@@H]1CC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171975472 1132117628 /nfs/dbraw/zinc/11/76/28/1132117628.db2.gz DCWFEUXTHBFQFX-WBVHZDCISA-N 2 1 272.436 3.524 20 0 CHADMP C[C@@H]1CC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975472 1132117629 /nfs/dbraw/zinc/11/76/29/1132117629.db2.gz DCWFEUXTHBFQFX-WBVHZDCISA-N 2 1 272.436 3.524 20 0 CHADMP C[C@@H]1CC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975472 1132117630 /nfs/dbraw/zinc/11/76/30/1132117630.db2.gz DCWFEUXTHBFQFX-WBVHZDCISA-N 2 1 272.436 3.524 20 0 CHADMP C[C@H]1CCC[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976957 1132120050 /nfs/dbraw/zinc/12/00/50/1132120050.db2.gz PBHSUSPEULYFIC-WMZOPIPTSA-N 2 1 286.463 3.914 20 0 CHADMP C[C@H]1CCC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976957 1132120053 /nfs/dbraw/zinc/12/00/53/1132120053.db2.gz PBHSUSPEULYFIC-WMZOPIPTSA-N 2 1 286.463 3.914 20 0 CHADMP C[C@H]1CCC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976957 1132120056 /nfs/dbraw/zinc/12/00/56/1132120056.db2.gz PBHSUSPEULYFIC-WMZOPIPTSA-N 2 1 286.463 3.914 20 0 CHADMP C[C@H]1CCC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976957 1132120058 /nfs/dbraw/zinc/12/00/58/1132120058.db2.gz PBHSUSPEULYFIC-WMZOPIPTSA-N 2 1 286.463 3.914 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC001172101630 1132123495 /nfs/dbraw/zinc/12/34/95/1132123495.db2.gz GNWNGZXDABSILH-ZJPYXAASSA-N 2 1 290.426 3.882 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC001172101630 1132123498 /nfs/dbraw/zinc/12/34/98/1132123498.db2.gz GNWNGZXDABSILH-ZJPYXAASSA-N 2 1 290.426 3.882 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCCc3ccccc31)C2 ZINC001172098871 1132123682 /nfs/dbraw/zinc/12/36/82/1132123682.db2.gz CXABQUSYTCDKFD-SFNKJDCFSA-N 2 1 284.447 3.669 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCCc3ccccc31)C2 ZINC001172098871 1132123686 /nfs/dbraw/zinc/12/36/86/1132123686.db2.gz CXABQUSYTCDKFD-SFNKJDCFSA-N 2 1 284.447 3.669 20 0 CHADMP CC1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172069532 1132125403 /nfs/dbraw/zinc/12/54/03/1132125403.db2.gz UUURQHVPLUREPG-LDLYASANSA-N 2 1 298.474 3.962 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]C2CCC2)C3)cc1 ZINC001172063770 1132126047 /nfs/dbraw/zinc/12/60/47/1132126047.db2.gz CJGATUMCXNABKT-LDLYASANSA-N 2 1 284.447 3.714 20 0 CHADMP CC[C@H](C[C@@H](C)CC)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000721513022 1132126950 /nfs/dbraw/zinc/12/69/50/1132126950.db2.gz FTTAKNYRPADNOW-QGTPRVQTSA-N 2 1 274.452 3.587 20 0 CHADMP CC[C@H](C[C@@H](C)CC)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000721513022 1132126954 /nfs/dbraw/zinc/12/69/54/1132126954.db2.gz FTTAKNYRPADNOW-QGTPRVQTSA-N 2 1 274.452 3.587 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CC[C@H](F)C3)CC1)C2 ZINC001172129050 1132128441 /nfs/dbraw/zinc/12/84/41/1132128441.db2.gz VUTYLZNIYAFSHU-NXOAAHMSSA-N 2 1 294.458 3.606 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CC[C@H](F)C3)CC1)C2 ZINC001172129050 1132128443 /nfs/dbraw/zinc/12/84/43/1132128443.db2.gz VUTYLZNIYAFSHU-NXOAAHMSSA-N 2 1 294.458 3.606 20 0 CHADMP CCCCCC(C)(C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172105114 1132129406 /nfs/dbraw/zinc/12/94/06/1132129406.db2.gz GWQABUIRPLDWMW-PHZGNYQRSA-N 2 1 266.473 3.950 20 0 CHADMP CCCCCC(C)(C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172105114 1132129409 /nfs/dbraw/zinc/12/94/09/1132129409.db2.gz GWQABUIRPLDWMW-PHZGNYQRSA-N 2 1 266.473 3.950 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(Cc3ccccc3)CC1)C2 ZINC001172109870 1132129907 /nfs/dbraw/zinc/12/99/07/1132129907.db2.gz FVQCXEHVNNIGSV-LDLYASANSA-N 2 1 298.474 3.614 20 0 CHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCCCC1 ZINC001172105529 1132129998 /nfs/dbraw/zinc/12/99/98/1132129998.db2.gz IXQMZCWFCQLLDE-DZUCGIPZSA-N 2 1 264.457 3.560 20 0 CHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC001172105529 1132130000 /nfs/dbraw/zinc/13/00/00/1132130000.db2.gz IXQMZCWFCQLLDE-DZUCGIPZSA-N 2 1 264.457 3.560 20 0 CHADMP CCCCC[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104669 1132130415 /nfs/dbraw/zinc/13/04/15/1132130415.db2.gz DXNBLHQMGQXSRT-LVQVYYBASA-N 2 1 252.446 3.560 20 0 CHADMP CCCCC[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104669 1132130417 /nfs/dbraw/zinc/13/04/17/1132130417.db2.gz DXNBLHQMGQXSRT-LVQVYYBASA-N 2 1 252.446 3.560 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCCCCCC1)C2 ZINC001172107477 1132130966 /nfs/dbraw/zinc/13/09/66/1132130966.db2.gz YDNMENWXWUYLAW-BJWYYQGGSA-N 2 1 264.457 3.704 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCCCCCC1)C2 ZINC001172107477 1132130968 /nfs/dbraw/zinc/13/09/68/1132130968.db2.gz YDNMENWXWUYLAW-BJWYYQGGSA-N 2 1 264.457 3.704 20 0 CHADMP CC[N@H+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172114053 1132134589 /nfs/dbraw/zinc/13/45/89/1132134589.db2.gz OGXICQATAMHELA-PIIMJCKOSA-N 2 1 272.436 3.524 20 0 CHADMP CC[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172114053 1132134591 /nfs/dbraw/zinc/13/45/91/1132134591.db2.gz OGXICQATAMHELA-PIIMJCKOSA-N 2 1 272.436 3.524 20 0 CHADMP CC[NH+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172114053 1132134594 /nfs/dbraw/zinc/13/45/94/1132134594.db2.gz OGXICQATAMHELA-PIIMJCKOSA-N 2 1 272.436 3.524 20 0 CHADMP CC[NH+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172114053 1132134596 /nfs/dbraw/zinc/13/45/96/1132134596.db2.gz OGXICQATAMHELA-PIIMJCKOSA-N 2 1 272.436 3.524 20 0 CHADMP CC[C@H](C)OCC[C@H](C)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172326974 1132161524 /nfs/dbraw/zinc/16/15/24/1132161524.db2.gz CVRSJSLHJRYMIJ-LAQRGFTBSA-N 2 1 296.499 3.562 20 0 CHADMP CC[C@@H](C)OCC[C@@H](C)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172327942 1132170906 /nfs/dbraw/zinc/17/09/06/1132170906.db2.gz FYWZBEYFTPHRRS-YFHUEUNASA-N 2 1 296.499 3.705 20 0 CHADMP CC[C@@H](CC(C)C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC001172390242 1132214527 /nfs/dbraw/zinc/21/45/27/1132214527.db2.gz SIGCFIWFZNPWEU-CVEARBPZSA-N 2 1 254.462 3.665 20 0 CHADMP CC[C@@H](CC(C)C)[NH2+]C1CCN(c2[nH+]cccc2C)CC1 ZINC001172395352 1132218895 /nfs/dbraw/zinc/21/88/95/1132218895.db2.gz LLXYDAOHEQIFRP-INIZCTEOSA-N 2 1 289.467 3.773 20 0 CHADMP CC(C)COCC[C@H](C)[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172470291 1132225018 /nfs/dbraw/zinc/22/50/18/1132225018.db2.gz CIBDRKLQHGISSQ-BZSNNMDCSA-N 2 1 298.515 3.666 20 0 CHADMP CC(C)OCC[C@@H](C)[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001172458154 1132239973 /nfs/dbraw/zinc/23/99/73/1132239973.db2.gz ZJHQDFUOZYPKIF-FGTMMUONSA-N 2 1 296.499 3.529 20 0 CHADMP CC(C)OCC[C@@H](C)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001172458154 1132239979 /nfs/dbraw/zinc/23/99/79/1132239979.db2.gz ZJHQDFUOZYPKIF-FGTMMUONSA-N 2 1 296.499 3.529 20 0 CHADMP CC(C)OCC[C@@H](C)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001172458154 1132239985 /nfs/dbraw/zinc/23/99/85/1132239985.db2.gz ZJHQDFUOZYPKIF-FGTMMUONSA-N 2 1 296.499 3.529 20 0 CHADMP CC(C)[N@@H+](CCC[NH3+])[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172531849 1132245505 /nfs/dbraw/zinc/24/55/05/1132245505.db2.gz BPGVDPNUNNRIFN-MSOLQXFVSA-N 2 1 274.452 3.772 20 0 CHADMP CC[NH+]1CCC([N@H+](C)[C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172565478 1132270876 /nfs/dbraw/zinc/27/08/76/1132270876.db2.gz ZJJLFXXUVPYCGA-MJGOQNOKSA-N 2 1 286.463 3.739 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172565478 1132270882 /nfs/dbraw/zinc/27/08/82/1132270882.db2.gz ZJJLFXXUVPYCGA-MJGOQNOKSA-N 2 1 286.463 3.739 20 0 CHADMP C[N@@H+](C1CCC([NH3+])CC1)[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172542544 1132276946 /nfs/dbraw/zinc/27/69/46/1132276946.db2.gz HYKKOQCZINOMAW-UGXKVIGPSA-N 2 1 286.463 3.915 20 0 CHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172545451 1132279110 /nfs/dbraw/zinc/27/91/10/1132279110.db2.gz BVIOYAJEEHPROY-QXAKKESOSA-N 2 1 286.463 3.644 20 0 CHADMP [NH3+]CC[N@H+](Cc1ccccc1)[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172545330 1132279364 /nfs/dbraw/zinc/27/93/64/1132279364.db2.gz AHKGPZIXALYTMK-UXHICEINSA-N 2 1 294.442 3.784 20 0 CHADMP [NH3+]CC[N@@H+](Cc1ccccc1)[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172545330 1132279367 /nfs/dbraw/zinc/27/93/67/1132279367.db2.gz AHKGPZIXALYTMK-UXHICEINSA-N 2 1 294.442 3.784 20 0 CHADMP CN1CCC[C@H]2C[N@H+](C3CCC4(CCCC4)CC3)C[C@H]21 ZINC001172730555 1132303772 /nfs/dbraw/zinc/30/37/72/1132303772.db2.gz JGTXVOJIKWWRJL-DOTOQJQBSA-N 2 1 276.468 3.515 20 0 CHADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001172857586 1132344147 /nfs/dbraw/zinc/34/41/47/1132344147.db2.gz XJKQMTLYNSMAAK-QGLTVNCISA-N 2 1 298.833 3.612 20 0 CHADMP CCCCc1ccc(C[N@H+](C)C2CC[NH+](CC)CC2)cc1 ZINC001231781451 1132359821 /nfs/dbraw/zinc/35/98/21/1132359821.db2.gz IKCKXNQRZWCUGG-UHFFFAOYSA-N 2 1 288.479 3.945 20 0 CHADMP CCCCc1ccc(C[N@@H+](C)C2CC[NH+](CC)CC2)cc1 ZINC001231781451 1132359829 /nfs/dbraw/zinc/35/98/29/1132359829.db2.gz IKCKXNQRZWCUGG-UHFFFAOYSA-N 2 1 288.479 3.945 20 0 CHADMP CC[N@@H+](Cc1ccc(CC(C)C)cc1)C1CCN(C)CC1 ZINC001231787809 1132362474 /nfs/dbraw/zinc/36/24/74/1132362474.db2.gz IWWILYNONUQUPX-UHFFFAOYSA-N 2 1 288.479 3.801 20 0 CHADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3C(C)C)C[C@@H]2C1 ZINC001231878534 1132388975 /nfs/dbraw/zinc/38/89/75/1132388975.db2.gz NBJZPLZXOJLFJP-HDICACEKSA-N 2 1 286.463 3.584 20 0 CHADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3C(C)C)C[C@@H]2C1 ZINC001231878534 1132388983 /nfs/dbraw/zinc/38/89/83/1132388983.db2.gz NBJZPLZXOJLFJP-HDICACEKSA-N 2 1 286.463 3.584 20 0 CHADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3C(C)C)C[C@@H]2C1 ZINC001231878534 1132388987 /nfs/dbraw/zinc/38/89/87/1132388987.db2.gz NBJZPLZXOJLFJP-HDICACEKSA-N 2 1 286.463 3.584 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCCC(F)(F)CC2)CC1 ZINC001173108263 1132392424 /nfs/dbraw/zinc/39/24/24/1132392424.db2.gz IEFDIJBADVNDDC-UHFFFAOYSA-N 2 1 288.426 3.761 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCCC2(C)C)CC1 ZINC001173108214 1132392454 /nfs/dbraw/zinc/39/24/54/1132392454.db2.gz GKYDEFJGVJQZRV-UHFFFAOYSA-N 2 1 252.446 3.514 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H]2C(C)C)CC1 ZINC001173112451 1132394267 /nfs/dbraw/zinc/39/42/67/1132394267.db2.gz BFRBSCAIYZVNPJ-JCYILVPMSA-N 2 1 266.473 3.760 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CC3CCC2CC3)CC1 ZINC001173114551 1132394356 /nfs/dbraw/zinc/39/43/56/1132394356.db2.gz OVKCWNGSLLEWDJ-UHFFFAOYSA-N 2 1 264.457 3.514 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@H]2CCOC)CC1 ZINC001173112321 1132394509 /nfs/dbraw/zinc/39/45/09/1132394509.db2.gz VFVIFUQYTBLLTJ-ADKAHSJRSA-N 2 1 296.499 3.530 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@@](C)(F)C2)CC1 ZINC001173110132 1132394771 /nfs/dbraw/zinc/39/47/71/1132394771.db2.gz PKBVCBLPDJRMBI-OFLPRAFFSA-N 2 1 284.463 3.854 20 0 CHADMP CN1CCC[C@H]2C[N@H+](C3CCC4(CCCCC4)CC3)C[C@H]21 ZINC001173121544 1132401031 /nfs/dbraw/zinc/40/10/31/1132401031.db2.gz RRHAMAFPCSVODY-FUHWJXTLSA-N 2 1 290.495 3.906 20 0 CHADMP C[NH+]1CC[C@@]2(CC[N@@H+](C3CCC4(CCCCC4)CC3)C2)C1 ZINC001173122125 1132401747 /nfs/dbraw/zinc/40/17/47/1132401747.db2.gz ZQULEPSXWMCUNF-LJQANCHMSA-N 2 1 290.495 3.907 20 0 CHADMP C[NH+]1CC[C@@]2(CC[N@H+](C3CCC4(CCCCC4)CC3)C2)C1 ZINC001173122125 1132401750 /nfs/dbraw/zinc/40/17/50/1132401750.db2.gz ZQULEPSXWMCUNF-LJQANCHMSA-N 2 1 290.495 3.907 20 0 CHADMP c1c2c[nH+]ccc2[nH]c1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC001232015653 1132409933 /nfs/dbraw/zinc/40/99/33/1132409933.db2.gz KBSXGPWJLYIHEV-KRWDZBQOSA-N 2 1 263.344 3.510 20 0 CHADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CC[C@H]1c1ccccc1 ZINC001232015653 1132409937 /nfs/dbraw/zinc/40/99/37/1132409937.db2.gz KBSXGPWJLYIHEV-KRWDZBQOSA-N 2 1 263.344 3.510 20 0 CHADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001232014345 1132411097 /nfs/dbraw/zinc/41/10/97/1132411097.db2.gz OERAMVKYXFVLOT-DYVFJYSZSA-N 2 1 269.392 3.718 20 0 CHADMP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)[C@@H]1CCc2ccccc21 ZINC001232018917 1132412662 /nfs/dbraw/zinc/41/26/62/1132412662.db2.gz QWTVYTSRYWDUGC-GOSISDBHSA-N 2 1 277.371 3.682 20 0 CHADMP CCCC[C@@H](CC(C)C)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173257991 1132426304 /nfs/dbraw/zinc/42/63/04/1132426304.db2.gz YKCWNZJGOZVSJU-ULQDDVLXSA-N 2 1 296.499 3.562 20 0 CHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c1 ZINC001232145226 1132427197 /nfs/dbraw/zinc/42/71/97/1132427197.db2.gz YQIMIRWMOGEAKI-SJORKVTESA-N 2 1 290.426 3.509 20 0 CHADMP CCS[C@H]1CCCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000842472558 1132432675 /nfs/dbraw/zinc/43/26/75/1132432675.db2.gz DUPQSWHHNFOJFT-HNNXBMFYSA-N 2 1 272.502 3.503 20 0 CHADMP [NH3+]CCCCCCC[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000842472710 1132433586 /nfs/dbraw/zinc/43/35/86/1132433586.db2.gz IXBPOKCBVZMWIL-QGZVFWFLSA-N 2 1 292.492 3.686 20 0 CHADMP CC[C@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)C1 ZINC001173271050 1132436888 /nfs/dbraw/zinc/43/68/88/1132436888.db2.gz PCOVYKUVVYBWJW-LSDHHAIUSA-N 2 1 290.426 3.654 20 0 CHADMP CC[C@@H]1CC[C@@H]([N@@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173272532 1132437667 /nfs/dbraw/zinc/43/76/67/1132437667.db2.gz VQSWWLWDTKWKBR-KLHDSHLOSA-N 2 1 252.446 3.545 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842699843 1132453242 /nfs/dbraw/zinc/45/32/42/1132453242.db2.gz FJKYPBMTLCGBAF-NEWSRXKRSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842699843 1132453246 /nfs/dbraw/zinc/45/32/46/1132453246.db2.gz FJKYPBMTLCGBAF-NEWSRXKRSA-N 2 1 298.474 3.962 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001173350933 1132476064 /nfs/dbraw/zinc/47/60/64/1132476064.db2.gz YOVLJBUGDPBNJU-IAGOWNOFSA-N 2 1 278.484 3.811 20 0 CHADMP C[N@@H+](Cc1cnc(C2CCCC2)s1)C1CCC([NH3+])CC1 ZINC000843055855 1132495037 /nfs/dbraw/zinc/49/50/37/1132495037.db2.gz QKGLWXGGSAYLOR-UHFFFAOYSA-N 2 1 293.480 3.502 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1 ZINC001206633033 1132551837 /nfs/dbraw/zinc/55/18/37/1132551837.db2.gz RMUPWDRWRJZATA-SFHVURJKSA-N 2 1 274.452 3.590 20 0 CHADMP Cc1ccc2cc[nH+]c(NC[C@H]3CCC[NH2+]C[C@H]3C)c2c1 ZINC001155022667 1132636623 /nfs/dbraw/zinc/63/66/23/1132636623.db2.gz AMFICHCDLKAUBW-GDBMZVCRSA-N 2 1 283.419 3.591 20 0 CHADMP Cc1cccc2c1cc[nH+]c2NC[C@@H]1CCC[NH2+]C[C@@H]1C ZINC001155025335 1132637202 /nfs/dbraw/zinc/63/72/02/1132637202.db2.gz NLKZONGXSVWZMX-GJZGRUSLSA-N 2 1 283.419 3.591 20 0 CHADMP Cc1cn2cc(Nc3ccc([C@H]4CCC[NH2+]4)cc3)ccc2[nH+]1 ZINC001159265944 1132821384 /nfs/dbraw/zinc/82/13/84/1132821384.db2.gz JQJJPMJBYLPTQW-QGZVFWFLSA-N 2 1 292.386 3.811 20 0 CHADMP Cc1cn2cc(Nc3ccc(C(C)(C)[NH3+])cc3)ccc2[nH+]1 ZINC001159266771 1132821637 /nfs/dbraw/zinc/82/16/37/1132821637.db2.gz RIBMIKQCXBRJTN-UHFFFAOYSA-N 2 1 280.375 3.580 20 0 CHADMP Cc1cc(N(C)C)[nH+]cc1Nc1ccc(C2([NH3+])CCC2)cc1 ZINC001159730820 1132900043 /nfs/dbraw/zinc/90/00/43/1132900043.db2.gz UJZYCKXAFJIMRD-UHFFFAOYSA-N 2 1 296.418 3.538 20 0 CHADMP [NH3+]C1(c2ccc(Nc3ccc4[nH]c[nH+]c4c3)cc2)CCC1 ZINC001159729645 1132900316 /nfs/dbraw/zinc/90/03/16/1132900316.db2.gz IKXYNRUSJGIKOB-UHFFFAOYSA-N 2 1 278.359 3.644 20 0 CHADMP CC(C)[PH+](CCNc1[nH+]cnc2c1ccn2C)C(C)C ZINC001162357635 1133071315 /nfs/dbraw/zinc/07/13/15/1133071315.db2.gz DAEVXBFZEHDEFT-UHFFFAOYSA-N 2 1 292.367 3.679 20 0 CHADMP Cc1cc(C)c2[nH+]c(N[C@H]3CCC[C@@H]([NH3+])C3)cc(C)c2c1 ZINC001162395835 1133074249 /nfs/dbraw/zinc/07/42/49/1133074249.db2.gz VZSAPTOZNNXNAJ-CABCVRRESA-N 2 1 283.419 3.842 20 0 CHADMP Cc1[nH+]c2ccc(N[C@@]34CCC[C@@H]3[NH2+]CC4)cc2n1C(C)C ZINC001162983502 1133124627 /nfs/dbraw/zinc/12/46/27/1133124627.db2.gz YTTOUVXXYADWEO-ZWKOTPCHSA-N 2 1 298.434 3.622 20 0 CHADMP c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC001206714971 1133264702 /nfs/dbraw/zinc/26/47/02/1133264702.db2.gz MPNQIHJGIRINOH-NSHGMRRFSA-N 2 1 298.474 3.787 20 0 CHADMP c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC001206714971 1133264704 /nfs/dbraw/zinc/26/47/04/1133264704.db2.gz MPNQIHJGIRINOH-NSHGMRRFSA-N 2 1 298.474 3.787 20 0 CHADMP CCC1CCC([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001203181137 1133305576 /nfs/dbraw/zinc/30/55/76/1133305576.db2.gz OFSFBJVYFCIBOW-JCYILVPMSA-N 2 1 278.484 3.952 20 0 CHADMP CCC1CCC([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001203181137 1133305581 /nfs/dbraw/zinc/30/55/81/1133305581.db2.gz OFSFBJVYFCIBOW-JCYILVPMSA-N 2 1 278.484 3.952 20 0 CHADMP C[C@H](CC[NH2+]Cc1ccc(-c2cccs2)cc1)[NH+](C)C ZINC001203271642 1133309329 /nfs/dbraw/zinc/30/93/29/1133309329.db2.gz VKASMOACULRPMT-CQSZACIVSA-N 2 1 288.460 3.845 20 0 CHADMP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(Cl)cc1Cl)CC2 ZINC001203393013 1133321035 /nfs/dbraw/zinc/32/10/35/1133321035.db2.gz SVXQRLWOPZCOGR-UHFFFAOYSA-N 2 1 299.245 3.521 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccccc2C)CC1 ZINC001203712068 1133357473 /nfs/dbraw/zinc/35/74/73/1133357473.db2.gz FODSDIJXDZAQKE-UHFFFAOYSA-N 2 1 274.452 3.691 20 0 CHADMP C[NH+]1CC2(C1)CC[NH+](Cc1cc(Cl)cc(Cl)c1)CC2 ZINC001203812314 1133372961 /nfs/dbraw/zinc/37/29/61/1133372961.db2.gz UICPRCNXCDHAKD-UHFFFAOYSA-N 2 1 299.245 3.521 20 0 CHADMP Fc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC001203916691 1133384252 /nfs/dbraw/zinc/38/42/52/1133384252.db2.gz PWRXCDYERQPGBW-GOSISDBHSA-N 2 1 290.426 3.666 20 0 CHADMP Fc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC001203916691 1133384259 /nfs/dbraw/zinc/38/42/59/1133384259.db2.gz PWRXCDYERQPGBW-GOSISDBHSA-N 2 1 290.426 3.666 20 0 CHADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)C1 ZINC001204592079 1133465960 /nfs/dbraw/zinc/46/59/60/1133465960.db2.gz LNNCFNYJPZCNIC-NEWSRXKRSA-N 2 1 292.511 3.867 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1 ZINC001204592079 1133465963 /nfs/dbraw/zinc/46/59/63/1133465963.db2.gz LNNCFNYJPZCNIC-NEWSRXKRSA-N 2 1 292.511 3.867 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC001204592079 1133465965 /nfs/dbraw/zinc/46/59/65/1133465965.db2.gz LNNCFNYJPZCNIC-NEWSRXKRSA-N 2 1 292.511 3.867 20 0 CHADMP CC(C)c1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001204727813 1133479959 /nfs/dbraw/zinc/47/99/59/1133479959.db2.gz QKDJBTNPAMHMBF-UHFFFAOYSA-N 2 1 286.463 3.776 20 0 CHADMP CC(C)=CCCC1=CC[C@@H](C[N@H+]2CC[C@@](C)([NH3+])C2)CC1 ZINC001204763188 1133481558 /nfs/dbraw/zinc/48/15/58/1133481558.db2.gz HUIJEJVLZDPZDD-QZTJIDSGSA-N 2 1 276.468 3.882 20 0 CHADMP CC(C)=CCCC1=CC[C@H](C[N@H+]2CC[C@](C)([NH3+])C2)CC1 ZINC001204763189 1133482059 /nfs/dbraw/zinc/48/20/59/1133482059.db2.gz HUIJEJVLZDPZDD-ROUUACIJSA-N 2 1 276.468 3.882 20 0 CHADMP Cc1cccc([C@H]2CCC[N@@H+]2C[C@H]([NH3+])Cc2ccccc2)c1 ZINC001204848876 1133491152 /nfs/dbraw/zinc/49/11/52/1133491152.db2.gz UXZBFLPNASECRZ-WOJBJXKFSA-N 2 1 294.442 3.702 20 0 CHADMP Cc1cccc([C@H]2CCC[N@H+]2C[C@H]([NH3+])Cc2ccccc2)c1 ZINC001204848876 1133491153 /nfs/dbraw/zinc/49/11/53/1133491153.db2.gz UXZBFLPNASECRZ-WOJBJXKFSA-N 2 1 294.442 3.702 20 0 CHADMP Cc1cccc([C@H]2CCC[N@H+]2Cc2cccc(C[NH3+])c2)c1 ZINC001204848674 1133491229 /nfs/dbraw/zinc/49/12/29/1133491229.db2.gz QVCJXFBAERXAHU-LJQANCHMSA-N 2 1 280.415 3.791 20 0 CHADMP Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(C[NH3+])cc2)c1 ZINC001204848250 1133491391 /nfs/dbraw/zinc/49/13/91/1133491391.db2.gz MFFVVVVCCREIES-IBGZPJMESA-N 2 1 280.415 3.791 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cccc2c3ccccc3oc21 ZINC001205068622 1133522945 /nfs/dbraw/zinc/52/29/45/1133522945.db2.gz KUPXUVMPDFAFMT-ZFWWWQNUSA-N 2 1 294.398 3.898 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cccc2c3ccccc3oc21 ZINC001205068622 1133522946 /nfs/dbraw/zinc/52/29/46/1133522946.db2.gz KUPXUVMPDFAFMT-ZFWWWQNUSA-N 2 1 294.398 3.898 20 0 CHADMP Cc1ccc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)cc1F ZINC001205227680 1133547327 /nfs/dbraw/zinc/54/73/27/1133547327.db2.gz MABXJQQGYIPVKY-UHFFFAOYSA-N 2 1 292.442 3.686 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205255487 1133550149 /nfs/dbraw/zinc/55/01/49/1133550149.db2.gz JMTGJCFPRYGUNC-DLBZAZTESA-N 2 1 266.473 3.962 20 0 CHADMP CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205288523 1133554224 /nfs/dbraw/zinc/55/42/24/1133554224.db2.gz KYQDARXQWBZPHQ-SFHVURJKSA-N 2 1 290.451 3.567 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205288857 1133554897 /nfs/dbraw/zinc/55/48/97/1133554897.db2.gz PBFFJHKWCQLCLX-MRXNPFEDSA-N 2 1 280.843 3.660 20 0 CHADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205296200 1133555503 /nfs/dbraw/zinc/55/55/03/1133555503.db2.gz ITFUAHIOUPJRRA-BBWFWOEESA-N 2 1 298.515 3.525 20 0 CHADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1cccc(-c2ccsc2)c1 ZINC001205325131 1133561549 /nfs/dbraw/zinc/56/15/49/1133561549.db2.gz JVHJJJQSHPAFEC-CQSZACIVSA-N 2 1 286.444 3.599 20 0 CHADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1cccc(-c2ccsc2)c1 ZINC001205325131 1133561550 /nfs/dbraw/zinc/56/15/50/1133561550.db2.gz JVHJJJQSHPAFEC-CQSZACIVSA-N 2 1 286.444 3.599 20 0 CHADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001205332848 1133563152 /nfs/dbraw/zinc/56/31/52/1133563152.db2.gz UUAUKJVIRRTLBD-HNNXBMFYSA-N 2 1 298.405 3.677 20 0 CHADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001205332848 1133563158 /nfs/dbraw/zinc/56/31/58/1133563158.db2.gz UUAUKJVIRRTLBD-HNNXBMFYSA-N 2 1 298.405 3.677 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205546062 1133587485 /nfs/dbraw/zinc/58/74/85/1133587485.db2.gz PVZHQAPKJYEGLZ-QGZUEGPWSA-N 2 1 270.436 3.666 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)s1 ZINC001205559990 1133588779 /nfs/dbraw/zinc/58/87/79/1133588779.db2.gz XSVNIGABFHGOGW-MRXNPFEDSA-N 2 1 298.471 3.744 20 0 CHADMP C[C@@]1(C[NH2+][C@H]2C[C@@H]3CCC[C@@H]32)CC[N@@H+](Cc2ccccc2)C1 ZINC001205583712 1133590699 /nfs/dbraw/zinc/59/06/99/1133590699.db2.gz SNROMTCXEBCMOT-MUGJNUQGSA-N 2 1 298.474 3.677 20 0 CHADMP CCCc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)s1 ZINC001205617576 1133596021 /nfs/dbraw/zinc/59/60/21/1133596021.db2.gz LBRNDMCURAVPIH-UONOGXRCSA-N 2 1 280.481 3.507 20 0 CHADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(F)cc1Cl ZINC001205655155 1133599736 /nfs/dbraw/zinc/59/97/36/1133599736.db2.gz YWUNKUZPALJATG-WCQYABFASA-N 2 1 298.833 3.594 20 0 CHADMP C[C@@H]1CC[N@H+](Cc2ccccc2-c2ccccc2)C[C@@H]1[NH3+] ZINC001205872743 1133625121 /nfs/dbraw/zinc/62/51/21/1133625121.db2.gz RBNPFCYHTCKLGG-BEFAXECRSA-N 2 1 280.415 3.523 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2-c2ccccc2)C[C@@H]1[NH3+] ZINC001205872743 1133625123 /nfs/dbraw/zinc/62/51/23/1133625123.db2.gz RBNPFCYHTCKLGG-BEFAXECRSA-N 2 1 280.415 3.523 20 0 CHADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1CC1(c2ccccc2)CCCC1 ZINC001205901782 1133628618 /nfs/dbraw/zinc/62/86/18/1133628618.db2.gz GFRWADXMHYEEQF-SJORKVTESA-N 2 1 286.463 3.558 20 0 CHADMP C[C@H](CC[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C)CC(C)(C)C ZINC001205905164 1133628661 /nfs/dbraw/zinc/62/86/61/1133628661.db2.gz ZDNHALHDCWEQCT-KFWWJZLASA-N 2 1 254.462 3.508 20 0 CHADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC001205925464 1133631117 /nfs/dbraw/zinc/63/11/17/1133631117.db2.gz NQTKRROJMVWCIX-IKGGRYGDSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc2c(F)cccc12 ZINC001205914489 1133630478 /nfs/dbraw/zinc/63/04/78/1133630478.db2.gz MMHVVNJVTHOLCH-KGLIPLIRSA-N 2 1 286.394 3.538 20 0 CHADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H]1CCC[C@H](C)C1 ZINC001205925465 1133631225 /nfs/dbraw/zinc/63/12/25/1133631225.db2.gz NQTKRROJMVWCIX-ULQDDVLXSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@H]1C[N@@H+](CCCCCc2ccccc2)CCC[C@@H]1C[NH3+] ZINC001205985306 1133637662 /nfs/dbraw/zinc/63/76/62/1133637662.db2.gz WYUWPUFOWCPZGU-PKOBYXMFSA-N 2 1 288.479 3.706 20 0 CHADMP C[C@@H]1C[N@@H+](CCCCCc2ccccc2)CCC[C@H]1C[NH3+] ZINC001205985305 1133638271 /nfs/dbraw/zinc/63/82/71/1133638271.db2.gz WYUWPUFOWCPZGU-MJGOQNOKSA-N 2 1 288.479 3.706 20 0 CHADMP Cc1csc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1Cl ZINC001205995974 1133638735 /nfs/dbraw/zinc/63/87/35/1133638735.db2.gz SONYKGHODTZASA-ZYHUDNBSSA-N 2 1 286.872 3.517 20 0 CHADMP Cc1csc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1Cl ZINC001205995971 1133639362 /nfs/dbraw/zinc/63/93/62/1133639362.db2.gz SONYKGHODTZASA-CMPLNLGQSA-N 2 1 286.872 3.517 20 0 CHADMP Cc1csc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1Cl ZINC001205995973 1133638790 /nfs/dbraw/zinc/63/87/90/1133638790.db2.gz SONYKGHODTZASA-PWSUYJOCSA-N 2 1 286.872 3.517 20 0 CHADMP Cc1ccc(F)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1Cl ZINC001205992092 1133638834 /nfs/dbraw/zinc/63/88/34/1133638834.db2.gz DKHSBJHTCABDMH-STQMWFEESA-N 2 1 298.833 3.594 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(F)cc1Cl ZINC001206027280 1133644305 /nfs/dbraw/zinc/64/43/05/1133644305.db2.gz VRVMXNSBHWCDBK-QWHCGFSZSA-N 2 1 298.833 3.594 20 0 CHADMP Cc1cc(F)cc(Cl)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206036739 1133645950 /nfs/dbraw/zinc/64/59/50/1133645950.db2.gz PDOYZZCNMWVZBO-STQMWFEESA-N 2 1 298.833 3.594 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]CCc1cc(C)cc(C)c1 ZINC001206056496 1133650432 /nfs/dbraw/zinc/65/04/32/1133650432.db2.gz SEQHCOONWUABBJ-QGZVFWFLSA-N 2 1 276.468 3.556 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]CCc1cc(C)cc(C)c1 ZINC001206056496 1133650435 /nfs/dbraw/zinc/65/04/35/1133650435.db2.gz SEQHCOONWUABBJ-QGZVFWFLSA-N 2 1 276.468 3.556 20 0 CHADMP CC(C)C[C@H]1CCC[C@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C1 ZINC001206134748 1133662062 /nfs/dbraw/zinc/66/20/62/1133662062.db2.gz ATRWMYGMKIZRPZ-ZACQAIPSSA-N 2 1 268.489 3.910 20 0 CHADMP CC(C)C[C@H]1CCC[C@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C1 ZINC001206134748 1133662064 /nfs/dbraw/zinc/66/20/64/1133662064.db2.gz ATRWMYGMKIZRPZ-ZACQAIPSSA-N 2 1 268.489 3.910 20 0 CHADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC001206136083 1133662772 /nfs/dbraw/zinc/66/27/72/1133662772.db2.gz RADMPHZPGPIKSK-PBHICJAKSA-N 2 1 296.886 3.979 20 0 CHADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC001206136083 1133662775 /nfs/dbraw/zinc/66/27/75/1133662775.db2.gz RADMPHZPGPIKSK-PBHICJAKSA-N 2 1 296.886 3.979 20 0 CHADMP CC[C@H](Cc1cccs1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001206247379 1133675300 /nfs/dbraw/zinc/67/53/00/1133675300.db2.gz IHNAIZQTWVPKJM-CQSZACIVSA-N 2 1 280.481 3.533 20 0 CHADMP CC[C@H](Cc1cccs1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC001206247379 1133675303 /nfs/dbraw/zinc/67/53/03/1133675303.db2.gz IHNAIZQTWVPKJM-CQSZACIVSA-N 2 1 280.481 3.533 20 0 CHADMP CC1(C)C[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001206255844 1133676896 /nfs/dbraw/zinc/67/68/96/1133676896.db2.gz GAHWEDGVJLDWGM-NXHRZFHOSA-N 2 1 284.447 3.743 20 0 CHADMP CC1(C)C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001206255844 1133676899 /nfs/dbraw/zinc/67/68/99/1133676899.db2.gz GAHWEDGVJLDWGM-NXHRZFHOSA-N 2 1 284.447 3.743 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3CCC[NH2+]C[C@@H]3C)cc2)c1 ZINC001206262595 1133678473 /nfs/dbraw/zinc/67/84/73/1133678473.db2.gz AYCBUCZZDJNNOC-KRWDZBQOSA-N 2 1 294.442 3.846 20 0 CHADMP Cc1cccc(-c2ccc(C[N@@H+]3CCC[NH2+]C[C@@H]3C)cc2)c1 ZINC001206262595 1133678475 /nfs/dbraw/zinc/67/84/75/1133678475.db2.gz AYCBUCZZDJNNOC-KRWDZBQOSA-N 2 1 294.442 3.846 20 0 CHADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001206262864 1133678886 /nfs/dbraw/zinc/67/88/86/1133678886.db2.gz JIFXOTXASKYRQF-HNNXBMFYSA-N 2 1 298.405 3.677 20 0 CHADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001206262864 1133678888 /nfs/dbraw/zinc/67/88/88/1133678888.db2.gz JIFXOTXASKYRQF-HNNXBMFYSA-N 2 1 298.405 3.677 20 0 CHADMP CC1=CC[C@H](CC[N@H+]2CCC[C@@](C)(C[NH3+])CC2)C1(C)C ZINC001206297267 1133685283 /nfs/dbraw/zinc/68/52/83/1133685283.db2.gz XAKGJRWYMWWIJZ-SJLPKXTDSA-N 2 1 278.484 3.820 20 0 CHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc3ccccc3s2)CC1 ZINC001206304917 1133686874 /nfs/dbraw/zinc/68/68/74/1133686874.db2.gz RKEQTAAJQIUTAA-QGZVFWFLSA-N 2 1 288.460 3.852 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1Cl ZINC001206317030 1133688626 /nfs/dbraw/zinc/68/86/26/1133688626.db2.gz BFGXMVWCBAQKDA-INIZCTEOSA-N 2 1 280.843 3.599 20 0 CHADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CCCC2CCCCC2)C1 ZINC001206541815 1133716023 /nfs/dbraw/zinc/71/60/23/1133716023.db2.gz KUNXTIMJKJHJSC-KRWDZBQOSA-N 2 1 266.473 3.798 20 0 CHADMP CCn1ccc2c1cccc2C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206549793 1133716834 /nfs/dbraw/zinc/71/68/34/1133716834.db2.gz PVZNNQPQJDCLCN-IBGZPJMESA-N 2 1 299.462 3.612 20 0 CHADMP Cc1ccc(Cl)cc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206563490 1133718169 /nfs/dbraw/zinc/71/81/69/1133718169.db2.gz DSGADALCDXTLFO-INIZCTEOSA-N 2 1 280.843 3.599 20 0 CHADMP CSc1cc(C)cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206574150 1133720981 /nfs/dbraw/zinc/72/09/81/1133720981.db2.gz PRHJTYBJLYFAJO-KRWDZBQOSA-N 2 1 292.492 3.668 20 0 CHADMP Cc1ccc2c(C[N@H+](C(C)C)[C@@H]3CCC[NH2+]CC3)c[nH]c2c1 ZINC001206582208 1133722486 /nfs/dbraw/zinc/72/24/86/1133722486.db2.gz MXBAOLUDSWKFEL-QGZVFWFLSA-N 2 1 299.462 3.829 20 0 CHADMP Cc1ccc2[nH]c(C[N@H+](C(C)C)[C@H]3CCC[NH2+]CC3)cc2c1 ZINC001206591290 1133723314 /nfs/dbraw/zinc/72/33/14/1133723314.db2.gz QOGXXSYTFXNIBV-SFHVURJKSA-N 2 1 299.462 3.829 20 0 CHADMP CC(C)[N@@H+](Cc1ccc2ccn(C)c2c1)[C@@H]1CCC[NH2+]CC1 ZINC001206590970 1133723620 /nfs/dbraw/zinc/72/36/20/1133723620.db2.gz OIOGVUXCFRMRRU-GOSISDBHSA-N 2 1 299.462 3.531 20 0 CHADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206606579 1133726853 /nfs/dbraw/zinc/72/68/53/1133726853.db2.gz PYWPPOWDSWDBMO-DLBZAZTESA-N 2 1 298.515 3.669 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H](C[NH3+])CC[C@H]3C)cc2)o1 ZINC001206767437 1133746074 /nfs/dbraw/zinc/74/60/74/1133746074.db2.gz BIJURJYFRWHLOI-PBHICJAKSA-N 2 1 298.430 3.814 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206771451 1133747360 /nfs/dbraw/zinc/74/73/60/1133747360.db2.gz WTRFQJQGQZNZIK-TZMCWYRMSA-N 2 1 288.460 3.769 20 0 CHADMP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(C)c1Cl ZINC001206807259 1133751220 /nfs/dbraw/zinc/75/12/20/1133751220.db2.gz IBFPSLXNUKPUGS-OCCSQVGLSA-N 2 1 280.843 3.516 20 0 CHADMP c1ccc(C[NH+]2CCC(C[N@H+]3C[C@@H]4CCC[C@@H]4C3)CC2)cc1 ZINC001207287756 1133788955 /nfs/dbraw/zinc/78/89/55/1133788955.db2.gz XRDWTOPGNNXKEP-BGYRXZFFSA-N 2 1 298.474 3.631 20 0 CHADMP CC[C@@H]1c2ccccc2CC[N@@H+]1CC(C)(C)C[NH+](C)C ZINC001207287820 1133789351 /nfs/dbraw/zinc/78/93/51/1133789351.db2.gz GMPVJYFVMBSKSF-QGZVFWFLSA-N 2 1 274.452 3.584 20 0 CHADMP C[N@@H+](CC1CC[NH+](C)CC1)C1CCC(C(C)(C)C)CC1 ZINC001207399858 1133798263 /nfs/dbraw/zinc/79/82/63/1133798263.db2.gz XBKDNPGPBRRRMV-UHFFFAOYSA-N 2 1 280.500 3.865 20 0 CHADMP C[NH+]1CCC(CC[N@H+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC001207479622 1133805975 /nfs/dbraw/zinc/80/59/75/1133805975.db2.gz KWVAPSJSKHFUHN-SFHVURJKSA-N 2 1 290.426 3.695 20 0 CHADMP C[NH+]1CCC(CC[N@H+]2Cc3ccccc3C(C)(C)C2)CC1 ZINC001207487853 1133806700 /nfs/dbraw/zinc/80/67/00/1133806700.db2.gz UZSGGZZVKJLLNZ-UHFFFAOYSA-N 2 1 286.463 3.512 20 0 CHADMP Cc1ccccc1[C@H]1CCC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207482353 1133806802 /nfs/dbraw/zinc/80/68/02/1133806802.db2.gz UUVNIGYLXCKXNA-LJQANCHMSA-N 2 1 286.463 3.864 20 0 CHADMP C[N@@H+](CC1(C)CC[NH+](C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC001208106647 1133876811 /nfs/dbraw/zinc/87/68/11/1133876811.db2.gz JCNBNTUBUPRYLA-UHFFFAOYSA-N 2 1 290.495 3.619 20 0 CHADMP CC/C=C\CCC[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001208135720 1133882829 /nfs/dbraw/zinc/88/28/29/1133882829.db2.gz KWFLOZOACPGZPH-PLNGDYQASA-N 2 1 287.451 3.675 20 0 CHADMP Cc1ccc([C@@H](C)CC[NH+]2CCC([NH+]3CCCC3)CC2)o1 ZINC001208152718 1133888693 /nfs/dbraw/zinc/88/86/93/1133888693.db2.gz VEVRGSZPVIXRES-HNNXBMFYSA-N 2 1 290.451 3.642 20 0 CHADMP CC[NH+](CC)C1CC[NH+](CC[C@@H](C)c2ccc(C)o2)CC1 ZINC001208158322 1133890697 /nfs/dbraw/zinc/89/06/97/1133890697.db2.gz XQMKEIQOEHADSD-OAHLLOKOSA-N 2 1 292.467 3.888 20 0 CHADMP CC[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC001208616989 1133918333 /nfs/dbraw/zinc/91/83/33/1133918333.db2.gz LTMAVWMUFNLCBB-HNNXBMFYSA-N 2 1 280.843 3.504 20 0 CHADMP CC[N@H+](Cc1cccc(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC001208616989 1133918336 /nfs/dbraw/zinc/91/83/36/1133918336.db2.gz LTMAVWMUFNLCBB-HNNXBMFYSA-N 2 1 280.843 3.504 20 0 CHADMP CC[NH+](Cc1cccc(Cl)c1)C[C@H]1CCC[N@H+](C)C1 ZINC001208616989 1133918340 /nfs/dbraw/zinc/91/83/40/1133918340.db2.gz LTMAVWMUFNLCBB-HNNXBMFYSA-N 2 1 280.843 3.504 20 0 CHADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2c2ccccc2Cl)C1 ZINC001208610195 1133918728 /nfs/dbraw/zinc/91/87/28/1133918728.db2.gz ZRIOCKRBWGIUNX-WMLDXEAASA-N 2 1 292.854 3.819 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2c2ccccc2Cl)C1 ZINC001208610195 1133918733 /nfs/dbraw/zinc/91/87/33/1133918733.db2.gz ZRIOCKRBWGIUNX-WMLDXEAASA-N 2 1 292.854 3.819 20 0 CHADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)C1 ZINC001208610195 1133918738 /nfs/dbraw/zinc/91/87/38/1133918738.db2.gz ZRIOCKRBWGIUNX-WMLDXEAASA-N 2 1 292.854 3.819 20 0 CHADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@H]2c2ccccc2Cl)C1 ZINC001208610195 1133918743 /nfs/dbraw/zinc/91/87/43/1133918743.db2.gz ZRIOCKRBWGIUNX-WMLDXEAASA-N 2 1 292.854 3.819 20 0 CHADMP CN1CCC[C@H](C[N@H+]2CCCC[C@@H]2c2ccccc2F)C1 ZINC001208608230 1133919496 /nfs/dbraw/zinc/91/94/96/1133919496.db2.gz PBMNXEUAPVLCCT-MAUKXSAKSA-N 2 1 290.426 3.695 20 0 CHADMP C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2c2ccccc2F)C1 ZINC001208608230 1133919509 /nfs/dbraw/zinc/91/95/09/1133919509.db2.gz PBMNXEUAPVLCCT-MAUKXSAKSA-N 2 1 290.426 3.695 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2c2ccccc2F)C1 ZINC001208608230 1133919516 /nfs/dbraw/zinc/91/95/16/1133919516.db2.gz PBMNXEUAPVLCCT-MAUKXSAKSA-N 2 1 290.426 3.695 20 0 CHADMP C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2c2ccccc2F)C1 ZINC001208608230 1133919519 /nfs/dbraw/zinc/91/95/19/1133919519.db2.gz PBMNXEUAPVLCCT-MAUKXSAKSA-N 2 1 290.426 3.695 20 0 CHADMP C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2c2ccccc2F)C1 ZINC001208608230 1133919521 /nfs/dbraw/zinc/91/95/21/1133919521.db2.gz PBMNXEUAPVLCCT-MAUKXSAKSA-N 2 1 290.426 3.695 20 0 CHADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2c2ccccc2)C1 ZINC001208604596 1133920119 /nfs/dbraw/zinc/92/01/19/1133920119.db2.gz QZDJUGNBAFYWJW-AEFFLSMTSA-N 2 1 272.436 3.555 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2c2ccccc2)C1 ZINC001208604596 1133920123 /nfs/dbraw/zinc/92/01/23/1133920123.db2.gz QZDJUGNBAFYWJW-AEFFLSMTSA-N 2 1 272.436 3.555 20 0 CHADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2c2ccccc2)C1 ZINC001208604596 1133920127 /nfs/dbraw/zinc/92/01/27/1133920127.db2.gz QZDJUGNBAFYWJW-AEFFLSMTSA-N 2 1 272.436 3.555 20 0 CHADMP C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2c2ccccc2)C1 ZINC001208604596 1133920136 /nfs/dbraw/zinc/92/01/36/1133920136.db2.gz QZDJUGNBAFYWJW-AEFFLSMTSA-N 2 1 272.436 3.555 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)CCC(C)(C)c1ccccc1 ZINC001208669998 1133925656 /nfs/dbraw/zinc/92/56/56/1133925656.db2.gz TXYUMUUETPNYFK-UHFFFAOYSA-N 2 1 276.468 3.628 20 0 CHADMP CC(C)CCC[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001208732747 1133937130 /nfs/dbraw/zinc/93/71/30/1133937130.db2.gz LFNYZUWLXCBNGI-UHFFFAOYSA-N 2 1 278.484 3.763 20 0 CHADMP CC[NH+](CC)C1CC[NH+](CCCc2ccc(F)cc2)CC1 ZINC001208772673 1133942932 /nfs/dbraw/zinc/94/29/32/1133942932.db2.gz FUKIMQUUXZGESF-UHFFFAOYSA-N 2 1 292.442 3.565 20 0 CHADMP CN1CCC[C@H]2C[N@@H+](CC3(c4ccccc4)CCCC3)C[C@@H]21 ZINC001208779285 1133944945 /nfs/dbraw/zinc/94/49/45/1133944945.db2.gz HJJIXUPUFGQNQL-HKUYNNGSSA-N 2 1 298.474 3.524 20 0 CHADMP C[C@@H](C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1)C(F)(F)F ZINC001208893590 1133958885 /nfs/dbraw/zinc/95/88/85/1133958885.db2.gz LDBNBPUVLKPUHW-KBPBESRZSA-N 2 1 292.389 3.525 20 0 CHADMP C[C@@H](C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1)C(F)(F)F ZINC001208893590 1133958888 /nfs/dbraw/zinc/95/88/88/1133958888.db2.gz LDBNBPUVLKPUHW-KBPBESRZSA-N 2 1 292.389 3.525 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC[C@@H]4CCC[C@@H]4C3)C2)cc1 ZINC001208943218 1133965626 /nfs/dbraw/zinc/96/56/26/1133965626.db2.gz SAPYMXCAWBJYSB-SLFFLAALSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@@H]4CCC[C@@H]4C3)C2)cc1 ZINC001208943218 1133965628 /nfs/dbraw/zinc/96/56/28/1133965628.db2.gz SAPYMXCAWBJYSB-SLFFLAALSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@@H]4CCC[C@@H]4C3)C2)cc1 ZINC001208943218 1133965632 /nfs/dbraw/zinc/96/56/32/1133965632.db2.gz SAPYMXCAWBJYSB-SLFFLAALSA-N 2 1 298.474 3.631 20 0 CHADMP C[C@@H]1CCCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208948249 1133966222 /nfs/dbraw/zinc/96/62/22/1133966222.db2.gz PBYIROXJPHTKRQ-MJGOQNOKSA-N 2 1 286.463 3.631 20 0 CHADMP C[C@@H]1CCCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208948249 1133966225 /nfs/dbraw/zinc/96/62/25/1133966225.db2.gz PBYIROXJPHTKRQ-MJGOQNOKSA-N 2 1 286.463 3.631 20 0 CHADMP C[C@@H]1CCCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208948249 1133966229 /nfs/dbraw/zinc/96/62/29/1133966229.db2.gz PBYIROXJPHTKRQ-MJGOQNOKSA-N 2 1 286.463 3.631 20 0 CHADMP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3C4CCC3CC4)C2)cc1 ZINC001208935422 1133966505 /nfs/dbraw/zinc/96/65/05/1133966505.db2.gz JDBFJVIHIUJQTC-LMDPOFIKSA-N 2 1 284.447 3.525 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3C4CCC3CC4)C2)cc1 ZINC001208935422 1133966509 /nfs/dbraw/zinc/96/65/09/1133966509.db2.gz JDBFJVIHIUJQTC-LMDPOFIKSA-N 2 1 284.447 3.525 20 0 CHADMP CCC[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208946367 1133967039 /nfs/dbraw/zinc/96/70/39/1133967039.db2.gz HAUSVYALCSACHC-LJQANCHMSA-N 2 1 286.463 3.631 20 0 CHADMP CCC[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208946367 1133967046 /nfs/dbraw/zinc/96/70/46/1133967046.db2.gz HAUSVYALCSACHC-LJQANCHMSA-N 2 1 286.463 3.631 20 0 CHADMP CCC[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208946367 1133967051 /nfs/dbraw/zinc/96/70/51/1133967051.db2.gz HAUSVYALCSACHC-LJQANCHMSA-N 2 1 286.463 3.631 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CC4CCC3CC4)C2)cc1 ZINC001208940638 1133968236 /nfs/dbraw/zinc/96/82/36/1133968236.db2.gz UAUYYKSIWPWLFF-IOJLRTSASA-N 2 1 298.474 3.773 20 0 CHADMP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CC4CCC3CC4)C2)cc1 ZINC001208940638 1133968239 /nfs/dbraw/zinc/96/82/39/1133968239.db2.gz UAUYYKSIWPWLFF-IOJLRTSASA-N 2 1 298.474 3.773 20 0 CHADMP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CC4CCC3CC4)C2)cc1 ZINC001208940638 1133968244 /nfs/dbraw/zinc/96/82/44/1133968244.db2.gz UAUYYKSIWPWLFF-IOJLRTSASA-N 2 1 298.474 3.773 20 0 CHADMP C[N@H+](CCC12CC3CC(CC(C3)C1)C2)C1CC[NH+](C)CC1 ZINC001209445378 1134023433 /nfs/dbraw/zinc/02/34/33/1134023433.db2.gz JPWQDFXFXAGLPT-UHFFFAOYSA-N 2 1 290.495 3.619 20 0 CHADMP C[N@@H+](CCC12CC3CC(CC(C3)C1)C2)C1CC[NH+](C)CC1 ZINC001209445378 1134023439 /nfs/dbraw/zinc/02/34/39/1134023439.db2.gz JPWQDFXFXAGLPT-UHFFFAOYSA-N 2 1 290.495 3.619 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc2[nH]cc(Cl)c21 ZINC001209658453 1134047799 /nfs/dbraw/zinc/04/77/99/1134047799.db2.gz AYYAIPFFQXVRJP-UHFFFAOYSA-N 2 1 293.842 3.595 20 0 CHADMP CC[NH+](CC)Cc1ccc(Nc2[nH+]cc(C)cc2N)cc1 ZINC001209822551 1134072239 /nfs/dbraw/zinc/07/22/39/1134072239.db2.gz LNXDOJKDFQJDAM-UHFFFAOYSA-N 2 1 284.407 3.558 20 0 CHADMP Cc1c(C[N@@H+]2CC[NH2+][C@@H](C)CC2)cccc1-c1ccccc1 ZINC001210518621 1134238336 /nfs/dbraw/zinc/23/83/36/1134238336.db2.gz GYUDNMHDURBOTG-INIZCTEOSA-N 2 1 294.442 3.846 20 0 CHADMP Cc1c(C[N@H+]2CC[NH2+][C@@H](C)CC2)cccc1-c1ccccc1 ZINC001210518621 1134238343 /nfs/dbraw/zinc/23/83/43/1134238343.db2.gz GYUDNMHDURBOTG-INIZCTEOSA-N 2 1 294.442 3.846 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000309931836 1135119402 /nfs/dbraw/zinc/11/94/02/1135119402.db2.gz WPFPVZLIVCWSDY-QDGKJQRMSA-N 2 1 298.474 3.675 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C[C@@H]1C[NH3+] ZINC000317926501 1135175824 /nfs/dbraw/zinc/17/58/24/1135175824.db2.gz PFMAPLDZXNPKBZ-JXFKEZNVSA-N 2 1 294.442 3.770 20 0 CHADMP CCC[C@@H](C)C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222153886 1135201467 /nfs/dbraw/zinc/20/14/67/1135201467.db2.gz CAAOEKWCQMBBFG-SJORKVTESA-N 2 1 266.473 3.668 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222149019 1135199444 /nfs/dbraw/zinc/19/94/44/1135199444.db2.gz UZXKZJIGKDOZBU-FQEVSTJZSA-N 2 1 294.442 3.724 20 0 CHADMP Cc1c(Cl)ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1C ZINC001222153799 1135200520 /nfs/dbraw/zinc/20/05/20/1135200520.db2.gz ACNIOVUNASCKCX-KRWDZBQOSA-N 2 1 292.854 3.532 20 0 CHADMP Cc1c(Cl)ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1C ZINC001222153799 1135200525 /nfs/dbraw/zinc/20/05/25/1135200525.db2.gz ACNIOVUNASCKCX-KRWDZBQOSA-N 2 1 292.854 3.532 20 0 CHADMP Cc1ccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)s1 ZINC001222161618 1135203314 /nfs/dbraw/zinc/20/33/14/1135203314.db2.gz QGUVKSFUAOHCSK-KRWDZBQOSA-N 2 1 292.492 3.802 20 0 CHADMP C[C@@H](CC[N@H+]1CCC[C@]12CCC[NH2+]C2)CC(C)(C)C ZINC001222232322 1135211772 /nfs/dbraw/zinc/21/17/72/1135211772.db2.gz UXMSJFJFCIHRBD-RDJZCZTQSA-N 2 1 266.473 3.667 20 0 CHADMP c1c2ccccc2sc1C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222237999 1135212805 /nfs/dbraw/zinc/21/28/05/1135212805.db2.gz YCFCUAAFBCVACX-KRWDZBQOSA-N 2 1 286.444 3.619 20 0 CHADMP c1c2ccccc2sc1C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222237999 1135212807 /nfs/dbraw/zinc/21/28/07/1135212807.db2.gz YCFCUAAFBCVACX-KRWDZBQOSA-N 2 1 286.444 3.619 20 0 CHADMP Fc1ccc(Cl)cc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222309259 1135222995 /nfs/dbraw/zinc/22/29/95/1135222995.db2.gz PBFLUTDAEFSYJX-INIZCTEOSA-N 2 1 296.817 3.587 20 0 CHADMP Fc1ccc(Cl)cc1C[N@@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222309259 1135222993 /nfs/dbraw/zinc/22/29/93/1135222993.db2.gz PBFLUTDAEFSYJX-INIZCTEOSA-N 2 1 296.817 3.587 20 0 CHADMP CC(C)c1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1 ZINC001222310868 1135223207 /nfs/dbraw/zinc/22/32/07/1135223207.db2.gz XAOHAHGNYNYVBV-LJQANCHMSA-N 2 1 286.463 3.918 20 0 CHADMP CC(C)c1ccc(CC[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222345062 1135229441 /nfs/dbraw/zinc/22/94/41/1135229441.db2.gz HSMLJJTWIFHUCN-IBGZPJMESA-N 2 1 286.463 3.571 20 0 CHADMP CC(C)c1ccc(CC[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222345062 1135229447 /nfs/dbraw/zinc/22/94/47/1135229447.db2.gz HSMLJJTWIFHUCN-IBGZPJMESA-N 2 1 286.463 3.571 20 0 CHADMP c1ccc(CCCCC[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222344840 1135230144 /nfs/dbraw/zinc/23/01/44/1135230144.db2.gz DQMYDTSEINIVEK-IBGZPJMESA-N 2 1 286.463 3.617 20 0 CHADMP c1ccc(CCCCC[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222344840 1135230146 /nfs/dbraw/zinc/23/01/46/1135230146.db2.gz DQMYDTSEINIVEK-IBGZPJMESA-N 2 1 286.463 3.617 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385719 1135233843 /nfs/dbraw/zinc/23/38/43/1135233843.db2.gz VBGZVGFSABGUDE-ROUUACIJSA-N 2 1 278.484 3.977 20 0 CHADMP c1cc(C[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c2cccccc1-2 ZINC001222395331 1135235964 /nfs/dbraw/zinc/23/59/64/1135235964.db2.gz KJQFCFKDUHFHCM-FQEVSTJZSA-N 2 1 294.442 3.900 20 0 CHADMP c1cc(C[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c2cccccc1-2 ZINC001222395331 1135235968 /nfs/dbraw/zinc/23/59/68/1135235968.db2.gz KJQFCFKDUHFHCM-FQEVSTJZSA-N 2 1 294.442 3.900 20 0 CHADMP CC(C)(CC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2)c1ccccc1 ZINC001222420823 1135239566 /nfs/dbraw/zinc/23/95/66/1135239566.db2.gz HCXZZHQPGPLCEY-IBGZPJMESA-N 2 1 286.463 3.572 20 0 CHADMP CC(C)(CC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2)c1ccccc1 ZINC001222420823 1135239569 /nfs/dbraw/zinc/23/95/69/1135239569.db2.gz HCXZZHQPGPLCEY-IBGZPJMESA-N 2 1 286.463 3.572 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222426892 1135240896 /nfs/dbraw/zinc/24/08/96/1135240896.db2.gz JKQQYXLVEVCQQI-HXUWFJFHSA-N 2 1 294.442 3.866 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222426892 1135240900 /nfs/dbraw/zinc/24/09/00/1135240900.db2.gz JKQQYXLVEVCQQI-HXUWFJFHSA-N 2 1 294.442 3.866 20 0 CHADMP Fc1ccc(C[NH+]2CCC3(CCC[NH2+]3)CC2)c2ccccc12 ZINC001226782975 1135741272 /nfs/dbraw/zinc/74/12/72/1135741272.db2.gz AGYLODFKRJMONV-UHFFFAOYSA-N 2 1 298.405 3.697 20 0 CHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(C(F)F)c1 ZINC000348059156 529929998 /nfs/dbraw/zinc/92/99/98/529929998.db2.gz WBISWIMIPQGCAT-INIZCTEOSA-N 2 1 296.405 3.930 20 0 CHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(C(F)F)c1 ZINC000348059156 529930000 /nfs/dbraw/zinc/93/00/00/529930000.db2.gz WBISWIMIPQGCAT-INIZCTEOSA-N 2 1 296.405 3.930 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc(C(F)F)c1 ZINC000348059156 529930001 /nfs/dbraw/zinc/93/00/01/529930001.db2.gz WBISWIMIPQGCAT-INIZCTEOSA-N 2 1 296.405 3.930 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccc(C(F)F)c1 ZINC000348059156 529930002 /nfs/dbraw/zinc/93/00/02/529930002.db2.gz WBISWIMIPQGCAT-INIZCTEOSA-N 2 1 296.405 3.930 20 0 CHADMP C[C@@H]1C[C@H](NCc2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000090721676 260392997 /nfs/dbraw/zinc/39/29/97/260392997.db2.gz CUGXWXYEOVOHSJ-QMTHXVAHSA-N 2 1 287.234 3.566 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000090721676 260392999 /nfs/dbraw/zinc/39/29/99/260392999.db2.gz CUGXWXYEOVOHSJ-QMTHXVAHSA-N 2 1 287.234 3.566 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000090721676 260393001 /nfs/dbraw/zinc/39/30/01/260393001.db2.gz CUGXWXYEOVOHSJ-QMTHXVAHSA-N 2 1 287.234 3.566 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cccc2ccccc21 ZINC000020136785 171024344 /nfs/dbraw/zinc/02/43/44/171024344.db2.gz KVLVFWODYMLDNE-CQSZACIVSA-N 2 1 268.404 3.585 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cc(C)sc1C ZINC000020549114 171246162 /nfs/dbraw/zinc/24/61/62/171246162.db2.gz UGDXBJGPFANHQL-CYBMUJFWSA-N 2 1 268.470 3.747 20 0 CHADMP C[N@@H+](CCC[NH2+][C@H]1CCc2ccccc21)Cc1ccccc1 ZINC000020827448 171274248 /nfs/dbraw/zinc/27/42/48/171274248.db2.gz LFZPLXNZMQWMDU-FQEVSTJZSA-N 2 1 294.442 3.786 20 0 CHADMP Cc1ccc(C)c([C@@H]([NH2+]CCC[NH+](C)C)c2ccccc2)c1 ZINC000021300851 171300760 /nfs/dbraw/zinc/30/07/60/171300760.db2.gz KVAZFRSSDJMTTB-FQEVSTJZSA-N 2 1 296.458 3.934 20 0 CHADMP CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000037538297 173259189 /nfs/dbraw/zinc/25/91/89/173259189.db2.gz YXRUKLZHZCVDBM-UHFFFAOYSA-N 2 1 287.234 3.567 20 0 CHADMP Cc1ccoc1CN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000352813523 227250260 /nfs/dbraw/zinc/25/02/60/227250260.db2.gz DEQSOOWOJTTXDN-SJORKVTESA-N 2 1 290.451 3.674 20 0 CHADMP Fc1ccc2oc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)cc2c1 ZINC000352854217 227337464 /nfs/dbraw/zinc/33/74/64/227337464.db2.gz RFBXGJPDKWKXNL-UHFFFAOYSA-N 2 1 299.349 3.675 20 0 CHADMP Cc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353679007 228143662 /nfs/dbraw/zinc/14/36/62/228143662.db2.gz FRHKATPLFHUVEH-NXHRZFHOSA-N 2 1 298.430 3.704 20 0 CHADMP CCC[C@@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000187723882 260167021 /nfs/dbraw/zinc/16/70/21/260167021.db2.gz RYMDOEQSAZBUMR-MRXNPFEDSA-N 2 1 289.467 3.809 20 0 CHADMP C([NH2+][C@@H]1CCCC12CCCCC2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000313046642 260241109 /nfs/dbraw/zinc/24/11/09/260241109.db2.gz VAAHGDFEDLDYRA-NVXWUHKLSA-N 2 1 276.468 3.563 20 0 CHADMP CCC[C@H]([NH2+]CCCCn1cc[nH+]c1C)C1CCCC1 ZINC000449166258 260268590 /nfs/dbraw/zinc/26/85/90/260268590.db2.gz ZLCCFUJFWHZCRL-KRWDZBQOSA-N 2 1 277.456 3.920 20 0 CHADMP COc1ccccc1[C@H](C)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093496492 260290041 /nfs/dbraw/zinc/29/00/41/260290041.db2.gz YMNJIWRPBCSJJE-PMPSAXMXSA-N 2 1 290.451 3.657 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2CCC3(CCCC3)CC2)CC[N@@H+]1C ZINC000129452222 260387315 /nfs/dbraw/zinc/38/73/15/260387315.db2.gz BBGYNAAETKTEJY-HOCLYGCPSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2CCC3(CCCC3)CC2)CC[N@H+]1C ZINC000129452222 260387316 /nfs/dbraw/zinc/38/73/16/260387316.db2.gz BBGYNAAETKTEJY-HOCLYGCPSA-N 2 1 264.457 3.562 20 0 CHADMP Cc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000426317980 260427190 /nfs/dbraw/zinc/42/71/90/260427190.db2.gz PDFDVAOHQJCFRO-IRXDYDNUSA-N 2 1 288.479 3.653 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152467652 261064451 /nfs/dbraw/zinc/06/44/51/261064451.db2.gz RBDBHVOXEIJBHP-PBHICJAKSA-N 2 1 278.415 3.550 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152467652 261064452 /nfs/dbraw/zinc/06/44/52/261064452.db2.gz RBDBHVOXEIJBHP-PBHICJAKSA-N 2 1 278.415 3.550 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152467652 261064453 /nfs/dbraw/zinc/06/44/53/261064453.db2.gz RBDBHVOXEIJBHP-PBHICJAKSA-N 2 1 278.415 3.550 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152467652 261064455 /nfs/dbraw/zinc/06/44/55/261064455.db2.gz RBDBHVOXEIJBHP-PBHICJAKSA-N 2 1 278.415 3.550 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccccn1 ZINC000158630560 261167956 /nfs/dbraw/zinc/16/79/56/261167956.db2.gz KNAPUBBLVGGHSG-INIZCTEOSA-N 2 1 297.446 3.773 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccc(Cl)s1 ZINC000163301335 261311573 /nfs/dbraw/zinc/31/15/73/261311573.db2.gz VRKCLSUAUYOPFT-NEPJUHHUSA-N 2 1 286.872 3.784 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000164585100 261355007 /nfs/dbraw/zinc/35/50/07/261355007.db2.gz PRQCMOBLHPTINN-MRXNPFEDSA-N 2 1 285.435 3.939 20 0 CHADMP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccccc1F ZINC000180627027 261867937 /nfs/dbraw/zinc/86/79/37/261867937.db2.gz HZHCWMSNITVEKR-KRWDZBQOSA-N 2 1 289.398 3.852 20 0 CHADMP CCSc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000185454783 262054732 /nfs/dbraw/zinc/05/47/32/262054732.db2.gz ZGGUFJBGTDWLSN-UHFFFAOYSA-N 2 1 290.476 3.515 20 0 CHADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2sccc2OC)CC1 ZINC000186136175 262081147 /nfs/dbraw/zinc/08/11/47/262081147.db2.gz SQDFTNWYESUZNG-ZDUSSCGKSA-N 2 1 296.480 3.672 20 0 CHADMP CCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000514085701 262160068 /nfs/dbraw/zinc/16/00/68/262160068.db2.gz WQXFPZSTEQYWJL-IPMKNSEASA-N 2 1 286.463 3.677 20 0 CHADMP CC(C)=CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000188443857 262296627 /nfs/dbraw/zinc/29/66/27/262296627.db2.gz FAPVVGIBZKFGJF-WMZOPIPTSA-N 2 1 272.436 3.595 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000221934232 262328482 /nfs/dbraw/zinc/32/84/82/262328482.db2.gz OKKDMGPFEUHTQZ-RCBQFDQVSA-N 2 1 280.843 3.863 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000221934232 262328483 /nfs/dbraw/zinc/32/84/83/262328483.db2.gz OKKDMGPFEUHTQZ-RCBQFDQVSA-N 2 1 280.843 3.863 20 0 CHADMP CC(C)[C@H](C[NH2+]C[C@@H](C)c1ccccc1)[NH+]1CCCC1 ZINC000021045000 262374865 /nfs/dbraw/zinc/37/48/65/262374865.db2.gz FEJDUKMCJJEFEC-AEFFLSMTSA-N 2 1 274.452 3.500 20 0 CHADMP CCC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000414175629 262814421 /nfs/dbraw/zinc/81/44/21/262814421.db2.gz HMVVXARMPRDNBP-GDBMZVCRSA-N 2 1 280.481 3.911 20 0 CHADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC1CCC(c2ccccc2)CC1 ZINC000414661611 263023793 /nfs/dbraw/zinc/02/37/93/263023793.db2.gz OXVFWZMKFASTBX-WPZCVXBKSA-N 2 1 286.463 3.630 20 0 CHADMP CC[N@@H+](Cc1ccc(Cl)c(C)c1)[C@H]1CCC[NH2+]CC1 ZINC000414714716 263034019 /nfs/dbraw/zinc/03/40/19/263034019.db2.gz MGGULZYMDALRMN-HNNXBMFYSA-N 2 1 280.843 3.612 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414816389 263053718 /nfs/dbraw/zinc/05/37/18/263053718.db2.gz PSMSXEXXGINEKL-KZNAEPCWSA-N 2 1 274.452 3.604 20 0 CHADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)C1CCCCC1 ZINC000414834142 263056768 /nfs/dbraw/zinc/05/67/68/263056768.db2.gz GQKAJZLEESMUEU-OAHLLOKOSA-N 2 1 282.378 3.621 20 0 CHADMP C[C@@H](CCc1ccccc1F)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414842177 263058104 /nfs/dbraw/zinc/05/81/04/263058104.db2.gz NYVZQGHXNOTSOH-KSSFIOAISA-N 2 1 292.442 3.644 20 0 CHADMP C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(C2CC2)c1 ZINC000340186501 263084583 /nfs/dbraw/zinc/08/45/83/263084583.db2.gz VGIDIIJZTIHAEQ-KYNGSXCRSA-N 2 1 284.447 3.841 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1cccc(C2CC2)c1 ZINC000340186501 263084584 /nfs/dbraw/zinc/08/45/84/263084584.db2.gz VGIDIIJZTIHAEQ-KYNGSXCRSA-N 2 1 284.447 3.841 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(C2CC2)c1 ZINC000340186501 263084585 /nfs/dbraw/zinc/08/45/85/263084585.db2.gz VGIDIIJZTIHAEQ-KYNGSXCRSA-N 2 1 284.447 3.841 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(C2CC2)c1 ZINC000340186501 263084586 /nfs/dbraw/zinc/08/45/86/263084586.db2.gz VGIDIIJZTIHAEQ-KYNGSXCRSA-N 2 1 284.447 3.841 20 0 CHADMP CCn1c2ccccc2c2cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])ccc21 ZINC000415006637 263218808 /nfs/dbraw/zinc/21/88/08/263218808.db2.gz KUFHYLQQAPKPCE-KBPBESRZSA-N 2 1 295.430 3.640 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1 ZINC000415078719 263268050 /nfs/dbraw/zinc/26/80/50/263268050.db2.gz GVLNCSFTFZLYJS-IPELMVKDSA-N 2 1 280.415 3.831 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1 ZINC000415078727 263268306 /nfs/dbraw/zinc/26/83/06/263268306.db2.gz GVLNCSFTFZLYJS-ZYSHUDEJSA-N 2 1 280.415 3.831 20 0 CHADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@@H]2CCC[C@H]2c2ccccc2)CC[NH2+]1 ZINC000415113858 263274194 /nfs/dbraw/zinc/27/41/94/263274194.db2.gz SABYJFAHGXZXHF-ZAWLATJESA-N 2 1 286.463 3.643 20 0 CHADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1cccs1 ZINC000131941551 264385704 /nfs/dbraw/zinc/38/57/04/264385704.db2.gz UGXQILIUPGCGKE-BPNCWPANSA-N 2 1 258.390 3.544 20 0 CHADMP CCCc1cccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000518837994 265122326 /nfs/dbraw/zinc/12/23/26/265122326.db2.gz GPHVFNSDAQVLRX-OALUTQOASA-N 2 1 286.463 3.555 20 0 CHADMP CCCc1cccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000518837994 265122328 /nfs/dbraw/zinc/12/23/28/265122328.db2.gz GPHVFNSDAQVLRX-OALUTQOASA-N 2 1 286.463 3.555 20 0 CHADMP CCCc1cccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000518837994 265122330 /nfs/dbraw/zinc/12/23/30/265122330.db2.gz GPHVFNSDAQVLRX-OALUTQOASA-N 2 1 286.463 3.555 20 0 CHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cc(F)cc(F)c1 ZINC000094825998 265258425 /nfs/dbraw/zinc/25/84/25/265258425.db2.gz HBEBFJISJCRQKI-KBPBESRZSA-N 2 1 296.405 3.880 20 0 CHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cc(F)cc(F)c1 ZINC000094825998 265258429 /nfs/dbraw/zinc/25/84/29/265258429.db2.gz HBEBFJISJCRQKI-KBPBESRZSA-N 2 1 296.405 3.880 20 0 CHADMP CSC1(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CCC1 ZINC000356184004 266064590 /nfs/dbraw/zinc/06/45/90/266064590.db2.gz RVCBXGBOTRKSJL-HNNXBMFYSA-N 2 1 284.513 3.516 20 0 CHADMP CC[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(C)cc1 ZINC000356818652 266179631 /nfs/dbraw/zinc/17/96/31/266179631.db2.gz WLKQQXMKSDSMRC-ZWKOTPCHSA-N 2 1 274.452 3.910 20 0 CHADMP CC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cc(C)ccc1OC ZINC000357800287 266366154 /nfs/dbraw/zinc/36/61/54/266366154.db2.gz VEVVMBCBVFRHKK-INIZCTEOSA-N 2 1 292.467 3.632 20 0 CHADMP CC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cc(C)ccc1OC ZINC000357800296 266366396 /nfs/dbraw/zinc/36/63/96/266366396.db2.gz VEVVMBCBVFRHKK-MRXNPFEDSA-N 2 1 292.467 3.632 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCCCF)cc1 ZINC000367448061 267091081 /nfs/dbraw/zinc/09/10/81/267091081.db2.gz LCOYINAPLUIRFX-AWEZNQCLSA-N 2 1 289.398 3.971 20 0 CHADMP c1ccc([C@@H]2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000374481486 267794284 /nfs/dbraw/zinc/79/42/84/267794284.db2.gz NBGCQYJOAMOBMY-XWSJACJDSA-N 2 1 284.447 3.539 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)[C@@H](C)C1 ZINC000531694534 328025091 /nfs/dbraw/zinc/02/50/91/328025091.db2.gz BJHUIJYUUWVDJZ-YJBOKZPZSA-N 2 1 288.479 3.804 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(CC)s2)CC1 ZINC000041203144 328030089 /nfs/dbraw/zinc/03/00/89/328030089.db2.gz GRUATQAODUSWIH-CYBMUJFWSA-N 2 1 280.481 3.836 20 0 CHADMP Cc1ccc([C@H]2CCCCC[NH+]2CC[C@H]2CCC[N@@H+]2C)o1 ZINC000534011371 328032849 /nfs/dbraw/zinc/03/28/49/328032849.db2.gz QZBPSALFZOGBCD-IAGOWNOFSA-N 2 1 290.451 3.989 20 0 CHADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000401763916 328057008 /nfs/dbraw/zinc/05/70/08/328057008.db2.gz DWEDLGRFMXZKLK-INIZCTEOSA-N 2 1 289.448 3.545 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CCc2c[nH+]cn2C)C[C@@H](c2ccccc2)C1 ZINC000401786126 328061971 /nfs/dbraw/zinc/06/19/71/328061971.db2.gz UBSSYZUHXVHPNT-SZMVWBNQSA-N 2 1 297.446 3.525 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000571066560 328083768 /nfs/dbraw/zinc/08/37/68/328083768.db2.gz CGTBKGUIXZLGNS-NXVRBGIVSA-N 2 1 292.442 3.782 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000571066560 328083769 /nfs/dbraw/zinc/08/37/69/328083769.db2.gz CGTBKGUIXZLGNS-NXVRBGIVSA-N 2 1 292.442 3.782 20 0 CHADMP CC(C)[N@H+](CCCc1c[nH+]cn1C)[C@@H](C)c1ccsc1 ZINC000571175752 328089661 /nfs/dbraw/zinc/08/96/61/328089661.db2.gz MBDFNYOMMNLOCC-AWEZNQCLSA-N 2 1 291.464 3.886 20 0 CHADMP CC(C)[N@@H+](CCCc1c[nH+]cn1C)[C@@H](C)c1ccsc1 ZINC000571175752 328089663 /nfs/dbraw/zinc/08/96/63/328089663.db2.gz MBDFNYOMMNLOCC-AWEZNQCLSA-N 2 1 291.464 3.886 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000571334968 328110123 /nfs/dbraw/zinc/11/01/23/328110123.db2.gz UCNLCTKZTIUZOI-MCIONIFRSA-N 2 1 294.405 3.818 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000571334968 328110124 /nfs/dbraw/zinc/11/01/24/328110124.db2.gz UCNLCTKZTIUZOI-MCIONIFRSA-N 2 1 294.405 3.818 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000268813009 328185999 /nfs/dbraw/zinc/18/59/99/328185999.db2.gz HPCAJZFYHGVDEK-BQFCYCMXSA-N 2 1 274.452 3.500 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000268796423 328186165 /nfs/dbraw/zinc/18/61/65/328186165.db2.gz IKZLYWXIZNZKEZ-WWGRRREGSA-N 2 1 288.460 3.720 20 0 CHADMP C[C@@H]1C[N@@H+](CC2CCC(c3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000414652041 328208313 /nfs/dbraw/zinc/20/83/13/328208313.db2.gz CYLLPXKSRWQUTH-JVGQSUMCSA-N 2 1 286.463 3.630 20 0 CHADMP Cc1ccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)cc1F ZINC000110976405 328322986 /nfs/dbraw/zinc/32/29/86/328322986.db2.gz SCJHPBWLTWANDU-UHFFFAOYSA-N 2 1 292.442 3.878 20 0 CHADMP Cc1ccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)cc1F ZINC000110976405 328322988 /nfs/dbraw/zinc/32/29/88/328322988.db2.gz SCJHPBWLTWANDU-UHFFFAOYSA-N 2 1 292.442 3.878 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(OC)c(Cl)c1 ZINC000531935285 328321700 /nfs/dbraw/zinc/32/17/00/328321700.db2.gz XXCMTWRZZIKUMC-CYBMUJFWSA-N 2 1 298.858 3.731 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC[N@@H+]1C ZINC000534972174 328372398 /nfs/dbraw/zinc/37/23/98/328372398.db2.gz LIZKAWCPXGJDBL-ISTRZQFTSA-N 2 1 292.854 3.790 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC[N@H+]1C ZINC000534972174 328372399 /nfs/dbraw/zinc/37/23/99/328372399.db2.gz LIZKAWCPXGJDBL-ISTRZQFTSA-N 2 1 292.854 3.790 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1cccc(Cl)c1 ZINC000049856215 328380414 /nfs/dbraw/zinc/38/04/14/328380414.db2.gz CXKZMWZXURBDKU-CJNGLKHVSA-N 2 1 280.843 3.865 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000038098166 326871138 /nfs/dbraw/zinc/87/11/38/326871138.db2.gz DFOJIQRVOUYINT-RTBURBONSA-N 2 1 286.463 3.787 20 0 CHADMP CC[C@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)c1c(C)noc1C ZINC000516855100 326937417 /nfs/dbraw/zinc/93/74/17/326937417.db2.gz SUAHCKLUMJPCDO-WQVCFCJDSA-N 2 1 293.455 3.643 20 0 CHADMP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261584268 327000626 /nfs/dbraw/zinc/00/06/26/327000626.db2.gz HUYIZJUXNDRSJN-BILRFKGYSA-N 2 1 299.245 3.724 20 0 CHADMP C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261584268 327000628 /nfs/dbraw/zinc/00/06/28/327000628.db2.gz HUYIZJUXNDRSJN-BILRFKGYSA-N 2 1 299.245 3.724 20 0 CHADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261585678 327004174 /nfs/dbraw/zinc/00/41/74/327004174.db2.gz INVMJKAUTSMPEA-ZFVXVEAMSA-N 2 1 299.245 3.724 20 0 CHADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261585678 327004175 /nfs/dbraw/zinc/00/41/75/327004175.db2.gz INVMJKAUTSMPEA-ZFVXVEAMSA-N 2 1 299.245 3.724 20 0 CHADMP C(=C\c1ccccc1)\C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000255901534 327027850 /nfs/dbraw/zinc/02/78/50/327027850.db2.gz XVTBIBJXGIJUQH-JNLAIUADSA-N 2 1 284.447 3.508 20 0 CHADMP C(=C\c1ccccc1)\C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000255901534 327027852 /nfs/dbraw/zinc/02/78/52/327027852.db2.gz XVTBIBJXGIJUQH-JNLAIUADSA-N 2 1 284.447 3.508 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261564023 327051785 /nfs/dbraw/zinc/05/17/85/327051785.db2.gz CBZIVQWPMGVXNR-MCIONIFRSA-N 2 1 280.843 3.721 20 0 CHADMP CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000558168260 327077313 /nfs/dbraw/zinc/07/73/13/327077313.db2.gz DYJMXBMBYYLYSD-SFHVURJKSA-N 2 1 290.451 3.564 20 0 CHADMP CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000558419118 327092621 /nfs/dbraw/zinc/09/26/21/327092621.db2.gz IAYGWNXIBULGGZ-GVDBMIGSSA-N 2 1 266.473 3.665 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CC(c3ccccc3)C2)[C@@H](C)C1 ZINC000558967711 327135287 /nfs/dbraw/zinc/13/52/87/327135287.db2.gz AEYDOXZKOBXMEL-NHFHULPWSA-N 2 1 286.463 3.500 20 0 CHADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093872948 327145792 /nfs/dbraw/zinc/14/57/92/327145792.db2.gz LOGWMIUDRHCOTL-NSHDSACASA-N 2 1 288.357 3.683 20 0 CHADMP c1cc(C2CCC2)ccc1C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000559243724 327149642 /nfs/dbraw/zinc/14/96/42/327149642.db2.gz OFRSRJCUDSNYES-RBUKOAKNSA-N 2 1 284.447 3.671 20 0 CHADMP c1cc(C2CCC2)ccc1C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000559243724 327149644 /nfs/dbraw/zinc/14/96/44/327149644.db2.gz OFRSRJCUDSNYES-RBUKOAKNSA-N 2 1 284.447 3.671 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000559259461 327151317 /nfs/dbraw/zinc/15/13/17/327151317.db2.gz YNUMLLCOCLRQFP-QGZVFWFLSA-N 2 1 286.463 3.776 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2CC(C)(C)CC(C)(C)C2)CC[N@@H+]1C ZINC000127857708 327151456 /nfs/dbraw/zinc/15/14/56/327151456.db2.gz ZDOGIEIBMDWUOF-ZIAGYGMSSA-N 2 1 266.473 3.664 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2CC(C)(C)CC(C)(C)C2)CC[N@H+]1C ZINC000127857708 327151458 /nfs/dbraw/zinc/15/14/58/327151458.db2.gz ZDOGIEIBMDWUOF-ZIAGYGMSSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000518514070 327170876 /nfs/dbraw/zinc/17/08/76/327170876.db2.gz TVZNCEQFFANWJC-LLVKDONJSA-N 2 1 272.795 3.518 20 0 CHADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000569444338 327178202 /nfs/dbraw/zinc/17/82/02/327178202.db2.gz XSKJCYNTFGAHCJ-ZMSDIMECSA-N 2 1 292.492 3.738 20 0 CHADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000569444338 327178203 /nfs/dbraw/zinc/17/82/03/327178203.db2.gz XSKJCYNTFGAHCJ-ZMSDIMECSA-N 2 1 292.492 3.738 20 0 CHADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(F)c(Cl)c2)CC1 ZINC000092165470 327187240 /nfs/dbraw/zinc/18/72/40/327187240.db2.gz NQGWQQNQKQMNOW-UHFFFAOYSA-N 2 1 298.833 3.785 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(F)c(Cl)c2)CC1 ZINC000092165470 327187241 /nfs/dbraw/zinc/18/72/41/327187241.db2.gz NQGWQQNQKQMNOW-UHFFFAOYSA-N 2 1 298.833 3.785 20 0 CHADMP CC(C)C[C@@H](C)C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000584258735 327202626 /nfs/dbraw/zinc/20/26/26/327202626.db2.gz FUMCIRSWFPGIAX-IAGOWNOFSA-N 2 1 268.489 3.626 20 0 CHADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000554376550 327216777 /nfs/dbraw/zinc/21/67/77/327216777.db2.gz SJLCGQFPQDUKPI-HYVNUMGLSA-N 2 1 264.457 3.562 20 0 CHADMP CCC[C@H](CC)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000559787450 327261928 /nfs/dbraw/zinc/26/19/28/327261928.db2.gz PIKDYXTUXSCNDH-OKZBNKHCSA-N 2 1 274.452 3.990 20 0 CHADMP CCC[C@H](CC)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000559787450 327261930 /nfs/dbraw/zinc/26/19/30/327261930.db2.gz PIKDYXTUXSCNDH-OKZBNKHCSA-N 2 1 274.452 3.990 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)C[C@H]2c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000559880180 327266509 /nfs/dbraw/zinc/26/65/09/327266509.db2.gz FCUPDTRHHDGBPE-HVTWWXFQSA-N 2 1 298.474 3.643 20 0 CHADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CC=CCC1 ZINC000560541982 327321886 /nfs/dbraw/zinc/32/18/86/327321886.db2.gz FJCMUAXUTQYHHR-QUCCMNQESA-N 2 1 298.474 3.797 20 0 CHADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261807951 327353004 /nfs/dbraw/zinc/35/30/04/327353004.db2.gz ZKODUUBDZUYHMX-KXBFYZLASA-N 2 1 280.415 3.586 20 0 CHADMP Cc1ccccc1[C@H](C(C)C)[N@H+](C)CCCc1c[nH+]cn1C ZINC000566418866 327354650 /nfs/dbraw/zinc/35/46/50/327354650.db2.gz MOHFAEUUOKLRMJ-IBGZPJMESA-N 2 1 299.462 3.990 20 0 CHADMP Cc1ccccc1[C@H](C(C)C)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000566418866 327354651 /nfs/dbraw/zinc/35/46/51/327354651.db2.gz MOHFAEUUOKLRMJ-IBGZPJMESA-N 2 1 299.462 3.990 20 0 CHADMP CC[C@H]([NH2+]CCC[NH+](CC)CC)c1cc(C)ccc1OC ZINC000357787845 328875797 /nfs/dbraw/zinc/87/57/97/328875797.db2.gz BVCDXIJUCDTREM-KRWDZBQOSA-N 2 1 292.467 3.776 20 0 CHADMP Fc1ccc(C[N@@H+]2CCC[C@H](n3ccnc3)C2)c(Cl)c1 ZINC000377557310 329018971 /nfs/dbraw/zinc/01/89/71/329018971.db2.gz UQZRUJKDBRJWJS-AWEZNQCLSA-N 2 1 293.773 3.513 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccccc1Cl ZINC000177370555 329183373 /nfs/dbraw/zinc/18/33/73/329183373.db2.gz GUFDPUMGCLRYEG-CYBMUJFWSA-N 2 1 291.826 3.976 20 0 CHADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc2ccccc2n1 ZINC000178411329 329199780 /nfs/dbraw/zinc/19/97/80/329199780.db2.gz UKOPRXMOCMZBHH-MRXNPFEDSA-N 2 1 297.446 3.761 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000178704130 329202742 /nfs/dbraw/zinc/20/27/42/329202742.db2.gz PKZYVFYWBJBVBQ-KSSFIOAISA-N 2 1 297.446 3.840 20 0 CHADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000178968065 329203358 /nfs/dbraw/zinc/20/33/58/329203358.db2.gz WEESLDVBZYPWLW-MOPGFXCFSA-N 2 1 286.463 3.644 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000180442707 329216953 /nfs/dbraw/zinc/21/69/53/329216953.db2.gz AUEDCDFPLVUACC-CLCXKQKWSA-N 2 1 297.446 3.659 20 0 CHADMP Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000180182594 329218129 /nfs/dbraw/zinc/21/81/29/329218129.db2.gz FBZHKLIAYNMBAT-GOSISDBHSA-N 2 1 290.426 3.584 20 0 CHADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000180182594 329218130 /nfs/dbraw/zinc/21/81/30/329218130.db2.gz FBZHKLIAYNMBAT-GOSISDBHSA-N 2 1 290.426 3.584 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000582994021 329294546 /nfs/dbraw/zinc/29/45/46/329294546.db2.gz GIZDARIMIUXBOC-MGPQQGTHSA-N 2 1 294.405 3.818 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000582994021 329294548 /nfs/dbraw/zinc/29/45/48/329294548.db2.gz GIZDARIMIUXBOC-MGPQQGTHSA-N 2 1 294.405 3.818 20 0 CHADMP CCCc1cccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000187204978 329354969 /nfs/dbraw/zinc/35/49/69/329354969.db2.gz WEPWBXZPFDMRRS-OAHLLOKOSA-N 2 1 285.435 3.570 20 0 CHADMP C[C@H]1CC[N@@H+](CCCCc2ccccc2)C[C@@H]1n1ccnc1 ZINC000187299398 329356694 /nfs/dbraw/zinc/35/66/94/329356694.db2.gz ZCRBGNATXWPNJL-HKUYNNGSSA-N 2 1 297.446 3.789 20 0 CHADMP C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1csc(Cl)c1 ZINC000230408143 329367545 /nfs/dbraw/zinc/36/75/45/329367545.db2.gz AFOJJYGNBGRASZ-WCFLWFBJSA-N 2 1 284.856 3.679 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1csc(Cl)c1 ZINC000230408143 329367546 /nfs/dbraw/zinc/36/75/46/329367546.db2.gz AFOJJYGNBGRASZ-WCFLWFBJSA-N 2 1 284.856 3.679 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1csc(Cl)c1 ZINC000230408143 329367547 /nfs/dbraw/zinc/36/75/47/329367547.db2.gz AFOJJYGNBGRASZ-WCFLWFBJSA-N 2 1 284.856 3.679 20 0 CHADMP Cc1cc(F)ccc1C[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000509615269 332875207 /nfs/dbraw/zinc/87/52/07/332875207.db2.gz DVQGVKDETNQSQS-GJZGRUSLSA-N 2 1 292.442 3.592 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+]C(C2CC2)C2CC2)CC1 ZINC000162135548 329974013 /nfs/dbraw/zinc/97/40/13/329974013.db2.gz VLKBCICBPUMRIA-UHFFFAOYSA-N 2 1 298.474 3.738 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2ccc3c(c2)CCC3)C1 ZINC000445403228 330110912 /nfs/dbraw/zinc/11/09/12/330110912.db2.gz MNPHHXDUKMVVEZ-HZPDHXFCSA-N 2 1 286.463 3.510 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccccc1C ZINC000191492860 330144821 /nfs/dbraw/zinc/14/48/21/330144821.db2.gz QADUYULDOAYFGJ-UHFFFAOYSA-N 2 1 285.435 3.666 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccccc1C ZINC000191492860 330144824 /nfs/dbraw/zinc/14/48/24/330144824.db2.gz QADUYULDOAYFGJ-UHFFFAOYSA-N 2 1 285.435 3.666 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000379649929 330145700 /nfs/dbraw/zinc/14/57/00/330145700.db2.gz QGRVGXVFOKEJIT-XLSIIYIISA-N 2 1 298.474 3.818 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC000379649929 330145702 /nfs/dbraw/zinc/14/57/02/330145702.db2.gz QGRVGXVFOKEJIT-XLSIIYIISA-N 2 1 298.474 3.818 20 0 CHADMP CC[C@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000379659174 330146286 /nfs/dbraw/zinc/14/62/86/330146286.db2.gz YYOBBTWBMWWITQ-YJBOKZPZSA-N 2 1 274.452 3.675 20 0 CHADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c(C)c1 ZINC000422693273 330150822 /nfs/dbraw/zinc/15/08/22/330150822.db2.gz LSOXXLHJJXIJEO-ZWKOTPCHSA-N 2 1 266.388 3.538 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000422706508 330151198 /nfs/dbraw/zinc/15/11/98/330151198.db2.gz UNLCYHZKKULZEM-LAVFITLUSA-N 2 1 272.436 3.648 20 0 CHADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422707371 330151201 /nfs/dbraw/zinc/15/12/01/330151201.db2.gz WMUMEXAZPLCUSI-NXWXRZEISA-N 2 1 286.463 3.896 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)C1CCCC1 ZINC000422726613 330152589 /nfs/dbraw/zinc/15/25/89/330152589.db2.gz FNESRFXBIUVEEB-QGTPRVQTSA-N 2 1 272.436 3.648 20 0 CHADMP CC(C)CC[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422733886 330152884 /nfs/dbraw/zinc/15/28/84/330152884.db2.gz RWMAGQFZZDDWQZ-CGTJXYLNSA-N 2 1 274.452 3.894 20 0 CHADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3F)c2ccccc21 ZINC000422764825 330154052 /nfs/dbraw/zinc/15/40/52/330154052.db2.gz ONWHCKLXATXCDK-KZNAEPCWSA-N 2 1 282.362 3.547 20 0 CHADMP Cc1cc(C)c(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c(C)c1 ZINC000422784037 330154995 /nfs/dbraw/zinc/15/49/95/330154995.db2.gz PCNWCMGTTPFURV-RTBURBONSA-N 2 1 280.415 3.846 20 0 CHADMP CCOc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422785095 330155011 /nfs/dbraw/zinc/15/50/11/330155011.db2.gz QSQPCOKGLRQCAU-FASAQXTFSA-N 2 1 296.414 3.881 20 0 CHADMP CC(C)[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccccc1 ZINC000422804181 330155983 /nfs/dbraw/zinc/15/59/83/330155983.db2.gz DUFMAJANQLGKGE-HOCLYGCPSA-N 2 1 283.419 3.585 20 0 CHADMP C[C@@H]([NH2+]CC1(c2ccccc2)CCCC1)c1c[nH+]ccc1N ZINC000422811892 330156287 /nfs/dbraw/zinc/15/62/87/330156287.db2.gz PUILYJKJNSFUCV-OAHLLOKOSA-N 2 1 295.430 3.657 20 0 CHADMP C[C@H]([NH2+]CCc1ccc(C(C)(C)C)cc1)c1c[nH+]ccc1N ZINC000422853529 330157381 /nfs/dbraw/zinc/15/73/81/330157381.db2.gz ZAXKVDOCHLMGOM-AWEZNQCLSA-N 2 1 297.446 3.685 20 0 CHADMP CCC(CC)C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422859134 330157626 /nfs/dbraw/zinc/15/76/26/330157626.db2.gz JLLMOUNUNDLIJY-IRXDYDNUSA-N 2 1 260.425 3.506 20 0 CHADMP [NH3+][C@H]1C[C@@H]([NH2+]C2(c3ccccc3)CCC2)c2ccccc21 ZINC000422924856 330160808 /nfs/dbraw/zinc/16/08/08/330160808.db2.gz AGIRFSRKQULLBU-ZWKOTPCHSA-N 2 1 278.399 3.800 20 0 CHADMP CC(C)C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1cccs1 ZINC000422947062 330162021 /nfs/dbraw/zinc/16/20/21/330162021.db2.gz PSBVVYYDNLPWMS-HZSPNIEDSA-N 2 1 266.454 3.565 20 0 CHADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000422992706 330163192 /nfs/dbraw/zinc/16/31/92/330163192.db2.gz QDRNTEMFWYIBLX-SCZZXKLOSA-N 2 1 293.263 3.533 20 0 CHADMP CC1(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CCCC1 ZINC000422952060 330164016 /nfs/dbraw/zinc/16/40/16/330164016.db2.gz BLTMJTPPCCAALJ-SJORKVTESA-N 2 1 272.436 3.650 20 0 CHADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422954175 330164065 /nfs/dbraw/zinc/16/40/65/330164065.db2.gz HCWSXNNGSSAGHM-HAFFEQERSA-N 2 1 278.399 3.654 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1nc(-c2ccccc2)cs1 ZINC000422960192 330164204 /nfs/dbraw/zinc/16/42/04/330164204.db2.gz VOXIBTSVYCGBJY-RWMBFGLXSA-N 2 1 289.448 3.587 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cc2ccccc2s1 ZINC000423053234 330167519 /nfs/dbraw/zinc/16/75/19/330167519.db2.gz ABQBREFRPJTIKG-OUCADQQQSA-N 2 1 274.433 3.692 20 0 CHADMP C[C@@H](CC[NH2+][C@@H](C)c1c[nH+]ccc1N)CC(C)(C)C ZINC000423063368 330167880 /nfs/dbraw/zinc/16/78/80/330167880.db2.gz WFMRJRZZTKNNSL-STQMWFEESA-N 2 1 263.429 3.607 20 0 CHADMP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000423064591 330167897 /nfs/dbraw/zinc/16/78/97/330167897.db2.gz RWJDWPSLCCRZOV-UTLUCORTSA-N 2 1 275.223 3.770 20 0 CHADMP CC(C)[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)Cc1ccccc1 ZINC000423065481 330167981 /nfs/dbraw/zinc/16/79/81/330167981.db2.gz BIZGUCAMPVZIIG-DOTOQJQBSA-N 2 1 297.446 3.660 20 0 CHADMP CC(C)(C)C1CC([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000423133000 330171851 /nfs/dbraw/zinc/17/18/51/330171851.db2.gz JUZNKNGDXRKZDM-GPQLOAJWSA-N 2 1 286.463 3.894 20 0 CHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(F)c2ccccc21 ZINC000423130908 330171962 /nfs/dbraw/zinc/17/19/62/330171962.db2.gz SMYRNHHEMHNDJN-ZJNRKIDTSA-N 2 1 286.394 3.770 20 0 CHADMP FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423158854 330173579 /nfs/dbraw/zinc/17/35/79/330173579.db2.gz XEPOMSAQAHPDTD-BZUAXINKSA-N 2 1 294.389 3.505 20 0 CHADMP [NH3+]C1(C[NH2+][C@H]2CCSc3c(F)cccc32)CCCCC1 ZINC000423175072 330174896 /nfs/dbraw/zinc/17/48/96/330174896.db2.gz CUECRPQIDDBXPF-AWEZNQCLSA-N 2 1 294.439 3.614 20 0 CHADMP Cc1ccc([C@H]([NH2+]CC2([NH3+])CCCCC2)C2CCC2)o1 ZINC000423177511 330174984 /nfs/dbraw/zinc/17/49/84/330174984.db2.gz IYOGTTFHJULACA-MRXNPFEDSA-N 2 1 276.424 3.680 20 0 CHADMP [NH3+]CCC[NH2+][C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000423183840 330175700 /nfs/dbraw/zinc/17/57/00/330175700.db2.gz HXWPOEHGDWNUPQ-MRXNPFEDSA-N 2 1 292.785 3.507 20 0 CHADMP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1nccc2ccccc21 ZINC000423197619 330176183 /nfs/dbraw/zinc/17/61/83/330176183.db2.gz ABWWEGZXDYMLSU-OAHLLOKOSA-N 2 1 297.446 3.937 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(-c2ccccc2)o1 ZINC000423203354 330176994 /nfs/dbraw/zinc/17/69/94/330176994.db2.gz CHRMWKMWBSNRKF-LSDHHAIUSA-N 2 1 284.403 3.597 20 0 CHADMP Fc1ccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423205206 330177080 /nfs/dbraw/zinc/17/70/80/330177080.db2.gz DWNIGMFHYRMANZ-DNVCBOLYSA-N 2 1 298.405 3.504 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2)o1)[C@H]1CCC[NH2+]C1 ZINC000423209863 330177734 /nfs/dbraw/zinc/17/77/34/330177734.db2.gz FNDSWSSBPWTKEX-VYDXJSESSA-N 2 1 298.430 3.985 20 0 CHADMP CSc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc1F ZINC000423258981 330183451 /nfs/dbraw/zinc/18/34/51/330183451.db2.gz CTZDBWXFDYGOSO-DGCLKSJQSA-N 2 1 284.444 3.572 20 0 CHADMP CSc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc1F ZINC000423258982 330183532 /nfs/dbraw/zinc/18/35/32/330183532.db2.gz CTZDBWXFDYGOSO-WCQYABFASA-N 2 1 284.444 3.572 20 0 CHADMP Cc1cc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cs1 ZINC000423259676 330183543 /nfs/dbraw/zinc/18/35/43/330183543.db2.gz FNBLZOMYUHEDAX-DOMZBBRYSA-N 2 1 266.454 3.615 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)s1 ZINC000423258969 330183547 /nfs/dbraw/zinc/18/35/47/330183547.db2.gz CSLRGCIFBNIHOT-TZMCWYRMSA-N 2 1 266.454 3.615 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CC[C@@H](C)c2ccsc21 ZINC000423260431 330183855 /nfs/dbraw/zinc/18/38/55/330183855.db2.gz HLMHESUVETZUAM-BZPMIXESSA-N 2 1 266.454 3.650 20 0 CHADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423272885 330184859 /nfs/dbraw/zinc/18/48/59/330184859.db2.gz ZPKOXAXQYXQFAS-FZMZJTMJSA-N 2 1 288.357 3.729 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000423303960 330188960 /nfs/dbraw/zinc/18/89/60/330188960.db2.gz XVDNLCWMCUIPPX-KSZLIROESA-N 2 1 274.452 3.505 20 0 CHADMP CCC[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000423309357 330189434 /nfs/dbraw/zinc/18/94/34/330189434.db2.gz ZFOMFHWISLQDNL-CQSZACIVSA-N 2 1 287.234 3.644 20 0 CHADMP CC(C)(C)[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc2ccccc2o1 ZINC000423331822 330191098 /nfs/dbraw/zinc/19/10/98/330191098.db2.gz UWUMPVVFBSVTPJ-YOEHRIQHSA-N 2 1 286.419 3.847 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2F)C2CCCC2)CC[NH2+]1 ZINC000423373295 330195641 /nfs/dbraw/zinc/19/56/41/330195641.db2.gz JCOYNKNYANSZLN-SIIHOXLZSA-N 2 1 290.426 3.787 20 0 CHADMP Cc1cc2cc([C@H](C)[NH2+][C@@H]3CC[NH2+][C@H](C)C3)oc2cc1C ZINC000423378161 330199086 /nfs/dbraw/zinc/19/90/86/330199086.db2.gz MHACFDQRZSDBRJ-IJEWVQPXSA-N 2 1 286.419 3.841 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cccc(Cl)c1F ZINC000423390085 330200362 /nfs/dbraw/zinc/20/03/62/330200362.db2.gz VRJYYVOKYBYGLR-GYSYKLTISA-N 2 1 284.806 3.660 20 0 CHADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H](c1cc2ccccc2o1)C(C)(C)C ZINC000423449468 330202580 /nfs/dbraw/zinc/20/25/80/330202580.db2.gz RNAKHBREBQPDCZ-MQIPJXDCSA-N 2 1 274.408 3.845 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2F)s1)[C@H](C)[NH3+] ZINC000423448133 330202686 /nfs/dbraw/zinc/20/26/86/330202686.db2.gz PTIWDGUHZYBTLM-TUAOUCFPSA-N 2 1 292.423 3.941 20 0 CHADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000423453504 330203177 /nfs/dbraw/zinc/20/31/77/330203177.db2.gz XSVBKBFLGZOWAP-ILXRZTDVSA-N 2 1 268.404 3.740 20 0 CHADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000423453505 330203235 /nfs/dbraw/zinc/20/32/35/330203235.db2.gz XSVBKBFLGZOWAP-KFWWJZLASA-N 2 1 268.404 3.740 20 0 CHADMP CC[C@@H]([NH3+])C[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000423455626 330203546 /nfs/dbraw/zinc/20/35/46/330203546.db2.gz CUDCFYSZYOROPA-CABCVRRESA-N 2 1 266.816 3.508 20 0 CHADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000423461084 330203991 /nfs/dbraw/zinc/20/39/91/330203991.db2.gz JHQSEJHIKBIDFD-RISCZKNCSA-N 2 1 289.448 3.506 20 0 CHADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000423469352 330205044 /nfs/dbraw/zinc/20/50/44/330205044.db2.gz OUVJNAVMNILBTR-WCQYABFASA-N 2 1 284.831 3.515 20 0 CHADMP CSc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1F ZINC000423532699 330210429 /nfs/dbraw/zinc/21/04/29/330210429.db2.gz RNBAULLKLGLRLO-XHDPSFHLSA-N 2 1 296.455 3.716 20 0 CHADMP Cc1c(C)c(C)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1C ZINC000536841615 330236124 /nfs/dbraw/zinc/23/61/24/330236124.db2.gz VZPLHOWOZBJPNB-KZULUSFZSA-N 2 1 288.479 3.801 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000536852968 330251058 /nfs/dbraw/zinc/25/10/58/330251058.db2.gz RDNPCMNWDZXMBA-BEFAXECRSA-N 2 1 297.446 3.959 20 0 CHADMP Cc1cc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)ccn1 ZINC000527645728 330269014 /nfs/dbraw/zinc/26/90/14/330269014.db2.gz GRACFUVMBXLPLG-UHFFFAOYSA-N 2 1 297.446 3.520 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527701361 330274724 /nfs/dbraw/zinc/27/47/24/330274724.db2.gz QEZMIYUVIOHFCJ-RKOGWWSCSA-N 2 1 298.474 3.533 20 0 CHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527691044 330279232 /nfs/dbraw/zinc/27/92/32/330279232.db2.gz KRPASNXYEMJJRW-KYYHFZFISA-N 2 1 290.495 3.664 20 0 CHADMP CC[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000527763940 330281613 /nfs/dbraw/zinc/28/16/13/330281613.db2.gz NEKCUBAMPQZCCM-QRVBRYPASA-N 2 1 286.463 3.614 20 0 CHADMP CC(C)c1cccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)c1 ZINC000527843747 330287517 /nfs/dbraw/zinc/28/75/17/330287517.db2.gz DEQGZKGBGIBQSH-AWEZNQCLSA-N 2 1 260.425 3.555 20 0 CHADMP CC(C)c1cccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000527850770 330288285 /nfs/dbraw/zinc/28/82/85/330288285.db2.gz NZTYWPYVYPCWRB-HOTGVXAUSA-N 2 1 286.463 3.945 20 0 CHADMP CCCCC1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000536876094 330311443 /nfs/dbraw/zinc/31/14/43/330311443.db2.gz JUDQSKWWJFLVMI-VXLLPVPCSA-N 2 1 266.473 3.808 20 0 CHADMP CCCCC1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000536876094 330311444 /nfs/dbraw/zinc/31/14/44/330311444.db2.gz JUDQSKWWJFLVMI-VXLLPVPCSA-N 2 1 266.473 3.808 20 0 CHADMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000044534197 330329719 /nfs/dbraw/zinc/32/97/19/330329719.db2.gz BZCDDUFVZXAZQB-SJORKVTESA-N 2 1 274.452 3.604 20 0 CHADMP CC(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044535653 330329884 /nfs/dbraw/zinc/32/98/84/330329884.db2.gz JAXUZRCCVSXJBF-HOTGVXAUSA-N 2 1 274.452 3.802 20 0 CHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CC34CC4)[C@@H]3CCC[C@H]32)cc1 ZINC000424314683 330339192 /nfs/dbraw/zinc/33/91/92/330339192.db2.gz CMIVAHYYOMRUAW-INDMIFKZSA-N 2 1 296.458 3.572 20 0 CHADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000045692208 330348806 /nfs/dbraw/zinc/34/88/06/330348806.db2.gz MBHFNVLNMLENJS-FAEJEUNOSA-N 2 1 274.452 3.561 20 0 CHADMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(Cl)c(F)c1 ZINC000212775181 330367296 /nfs/dbraw/zinc/36/72/96/330367296.db2.gz HLDLWAJLJNPYKX-GFCCVEGCSA-N 2 1 284.806 3.616 20 0 CHADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000087761868 330374285 /nfs/dbraw/zinc/37/42/85/330374285.db2.gz TYQARLGMWBYUJB-NSHDSACASA-N 2 1 287.234 3.554 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000090964341 330397336 /nfs/dbraw/zinc/39/73/36/330397336.db2.gz NSNHKKMVHSZSBZ-OBQMCUGOSA-N 2 1 290.426 3.521 20 0 CHADMP c1[nH+]c(C2CC[NH+](CC3=CCCCC3)CC2)n2c1CCCC2 ZINC000450879659 331004424 /nfs/dbraw/zinc/00/44/24/331004424.db2.gz NXZPQPYGFXXGJI-UHFFFAOYSA-N 2 1 299.462 3.899 20 0 CHADMP Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1CCCn1ccnc1 ZINC000451993932 331049684 /nfs/dbraw/zinc/04/96/84/331049684.db2.gz POLKIPCHRZFYFR-KRWDZBQOSA-N 2 1 287.382 3.558 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2SC)C1 ZINC000194862213 331067246 /nfs/dbraw/zinc/06/72/46/331067246.db2.gz KHYKGCKTEUJKCT-GJZGRUSLSA-N 2 1 292.492 3.791 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2sccc21 ZINC000453058870 331085297 /nfs/dbraw/zinc/08/52/97/331085297.db2.gz ABXASFWYJFHPHJ-MLGOLLRUSA-N 2 1 290.476 3.903 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453067534 331086056 /nfs/dbraw/zinc/08/60/56/331086056.db2.gz XWGZGDVWHRYGCF-CRAIPNDOSA-N 2 1 278.484 3.809 20 0 CHADMP Cc1cccc(N2CCC([NH2+][C@H]3CCCC34CCC4)CC2)[nH+]1 ZINC000453124671 331091615 /nfs/dbraw/zinc/09/16/15/331091615.db2.gz OQEBRYOFZOMMRU-KRWDZBQOSA-N 2 1 299.462 3.671 20 0 CHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CCC3)[C@H]3CCC[C@H]32)cc1 ZINC000453157944 331095253 /nfs/dbraw/zinc/09/52/53/331095253.db2.gz JULRIUOGNPATLT-CEXWTWQISA-N 2 1 284.447 3.572 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000453239853 331105754 /nfs/dbraw/zinc/10/57/54/331105754.db2.gz TURVDSCWUMWGNG-COCCGSRQSA-N 2 1 290.426 3.521 20 0 CHADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)C1CCC(F)(F)CC1 ZINC000453388658 331127088 /nfs/dbraw/zinc/12/70/88/331127088.db2.gz BVPUQLYFJRSHBP-ZDUSSCGKSA-N 2 1 288.426 3.664 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@H](C)c1ccccc1 ZINC000453390001 331127245 /nfs/dbraw/zinc/12/72/45/331127245.db2.gz CQQKDKDSWWCAHT-JKSUJKDBSA-N 2 1 274.452 3.643 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc2ccccc2n1 ZINC000453393732 331127605 /nfs/dbraw/zinc/12/76/05/331127605.db2.gz GATBFRSADZCTTR-OAHLLOKOSA-N 2 1 297.446 3.760 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@H]1CC(C)(C)c2ccccc21)C1CC1 ZINC000453396432 331128008 /nfs/dbraw/zinc/12/80/08/331128008.db2.gz ISVAJQDLTMOQDI-SFHVURJKSA-N 2 1 286.463 3.873 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1)C1CC1 ZINC000453400993 331128573 /nfs/dbraw/zinc/12/85/73/331128573.db2.gz MNDVCVAXWMWHIH-MSOLQXFVSA-N 2 1 286.463 3.787 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@H]1CC[C@H](c2ccccc2)C1)C1CC1 ZINC000453400995 331128660 /nfs/dbraw/zinc/12/86/60/331128660.db2.gz MNDVCVAXWMWHIH-ROUUACIJSA-N 2 1 286.463 3.787 20 0 CHADMP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccccc1OC ZINC000453406510 331129449 /nfs/dbraw/zinc/12/94/49/331129449.db2.gz RHSGLTAVCXIFMQ-KRWDZBQOSA-N 2 1 290.451 3.610 20 0 CHADMP CC(C)[C@H]1CCC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453411675 331130008 /nfs/dbraw/zinc/13/00/08/331130008.db2.gz VYEPENQTTRAVNM-JKSUJKDBSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1cc(Cl)ccc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453603342 331135942 /nfs/dbraw/zinc/13/59/42/331135942.db2.gz XPHWVSHSUJSVGS-UHFFFAOYSA-N 2 1 280.843 3.612 20 0 CHADMP Cc1cc(F)c(C[NH+]2CCC(C[NH+](C)C)CC2)c(Cl)c1 ZINC000459299923 331275157 /nfs/dbraw/zinc/27/51/57/331275157.db2.gz LMLCLXAPOMTDAB-UHFFFAOYSA-N 2 1 298.833 3.561 20 0 CHADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCc2cccc(Cl)c2)C1 ZINC000459381370 331279321 /nfs/dbraw/zinc/27/93/21/331279321.db2.gz UTWIYJHJECRQBS-MRXNPFEDSA-N 2 1 294.870 3.546 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCc2cccc(Cl)c2)C1 ZINC000459381370 331279322 /nfs/dbraw/zinc/27/93/22/331279322.db2.gz UTWIYJHJECRQBS-MRXNPFEDSA-N 2 1 294.870 3.546 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCc2cccc(Cl)c2)C1 ZINC000459381370 331279323 /nfs/dbraw/zinc/27/93/23/331279323.db2.gz UTWIYJHJECRQBS-MRXNPFEDSA-N 2 1 294.870 3.546 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCc2cccc(Cl)c2)C1 ZINC000459381370 331279324 /nfs/dbraw/zinc/27/93/24/331279324.db2.gz UTWIYJHJECRQBS-MRXNPFEDSA-N 2 1 294.870 3.546 20 0 CHADMP Cc1ccc(CC[C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000459722793 331295888 /nfs/dbraw/zinc/29/58/88/331295888.db2.gz BYUFCTLKFHOVEE-PKOBYXMFSA-N 2 1 288.479 3.638 20 0 CHADMP CC(C)[C@@H](C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000459725022 331296029 /nfs/dbraw/zinc/29/60/29/331296029.db2.gz AWWPQLNBNAPTQD-IEBWSBKVSA-N 2 1 288.479 3.748 20 0 CHADMP Cc1oc2ccccc2c1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459729346 331296301 /nfs/dbraw/zinc/29/63/01/331296301.db2.gz JBXJUHUUSKFWQK-OAHLLOKOSA-N 2 1 286.419 3.563 20 0 CHADMP CCC(CC)(CC)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459800737 331301519 /nfs/dbraw/zinc/30/15/19/331301519.db2.gz ZZUORBZWSJMFPO-OAHLLOKOSA-N 2 1 254.462 3.524 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)[C@@H](C)C1 ZINC000462118273 331317684 /nfs/dbraw/zinc/31/76/84/331317684.db2.gz DKZZEUADNVTNLG-TXTZMMAHSA-N 2 1 278.484 3.665 20 0 CHADMP c1nc2c([nH]1)CC[C@@H]([NH2+]Cc1ccc(C3CCCC3)cc1)C2 ZINC000462910967 331334830 /nfs/dbraw/zinc/33/48/30/331334830.db2.gz SNXVZWQEWBMQGU-QGZVFWFLSA-N 2 1 295.430 3.714 20 0 CHADMP CC[NH+]1CCC([N@H+](C)CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000464866691 331371976 /nfs/dbraw/zinc/37/19/76/331371976.db2.gz FGIOAVMKYZNYBF-CVEARBPZSA-N 2 1 266.473 3.619 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000464866691 331371977 /nfs/dbraw/zinc/37/19/77/331371977.db2.gz FGIOAVMKYZNYBF-CVEARBPZSA-N 2 1 266.473 3.619 20 0 CHADMP CCC[C@@H](CCc1ccccc1)[NH2+]CCCn1cc[nH+]c1C ZINC000510935239 332921162 /nfs/dbraw/zinc/92/11/62/332921162.db2.gz SIMCBINWJFSUTF-IBGZPJMESA-N 2 1 299.462 3.973 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000510962950 332922256 /nfs/dbraw/zinc/92/22/56/332922256.db2.gz SRCSDDCXMVPURB-RTBURBONSA-N 2 1 297.446 3.898 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)CC[N@@H+]1C ZINC000488447301 332009971 /nfs/dbraw/zinc/00/99/71/332009971.db2.gz IONABOJUUGMZCX-OQIJWPOYSA-N 2 1 286.463 3.785 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)CC[N@H+]1C ZINC000488447301 332009972 /nfs/dbraw/zinc/00/99/72/332009972.db2.gz IONABOJUUGMZCX-OQIJWPOYSA-N 2 1 286.463 3.785 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)CCC2 ZINC000490228097 332085024 /nfs/dbraw/zinc/08/50/24/332085024.db2.gz YTXUAEIGBBBYMV-VVWQDTPRSA-N 2 1 286.463 3.691 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCc3ccc(C)cc32)[C@H](C)C1 ZINC000490399527 332088650 /nfs/dbraw/zinc/08/86/50/332088650.db2.gz KNWOXNDLGGOMIV-LZQZEXGQSA-N 2 1 286.463 3.692 20 0 CHADMP C[N@H+](CCC[NH2+][C@H]1CCCc2occc21)Cc1ccccc1 ZINC000336660440 335109926 /nfs/dbraw/zinc/10/99/26/335109926.db2.gz BJLPLYOCIPHXFZ-SFHVURJKSA-N 2 1 298.430 3.769 20 0 CHADMP C[N@@H+](CCC[NH2+][C@H]1CCCc2occc21)Cc1ccccc1 ZINC000336660440 335109927 /nfs/dbraw/zinc/10/99/27/335109927.db2.gz BJLPLYOCIPHXFZ-SFHVURJKSA-N 2 1 298.430 3.769 20 0 CHADMP [NH3+]CCC[N@H+](Cc1ccccc1)C[C@H]1CCCC(F)(F)C1 ZINC000336658766 335109929 /nfs/dbraw/zinc/10/99/29/335109929.db2.gz AEQQWERXSQNWJB-INIZCTEOSA-N 2 1 296.405 3.663 20 0 CHADMP C[NH+](CCCCC[N@H+](C)CC1CCC1)CC1CCC1 ZINC000172657161 335115463 /nfs/dbraw/zinc/11/54/63/335115463.db2.gz WGQFWCTZPLOVOM-UHFFFAOYSA-N 2 1 266.473 3.621 20 0 CHADMP C[C@H]1C[C@H](CC[NH2+]CC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000513495340 333022669 /nfs/dbraw/zinc/02/26/69/333022669.db2.gz OKIJNFTZTDAXDU-WMZOPIPTSA-N 2 1 288.479 3.923 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3ccccc3c2)[C@H]2CCC[C@H]21 ZINC000513668371 333030890 /nfs/dbraw/zinc/03/08/90/333030890.db2.gz XNSADEMSFIQZFF-HSALFYBXSA-N 2 1 294.442 3.802 20 0 CHADMP CC(C)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309881042 333050970 /nfs/dbraw/zinc/05/09/70/333050970.db2.gz WAAMVWXADDADEH-JENIJYKNSA-N 2 1 288.479 3.921 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000513966170 333055981 /nfs/dbraw/zinc/05/59/81/333055981.db2.gz MMXCGULZWIUDGF-GOSISDBHSA-N 2 1 274.452 3.864 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000516896320 333085601 /nfs/dbraw/zinc/08/56/01/333085601.db2.gz GIZDARIMIUXBOC-IHRRRGAJSA-N 2 1 294.405 3.818 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000516896320 333085602 /nfs/dbraw/zinc/08/56/02/333085602.db2.gz GIZDARIMIUXBOC-IHRRRGAJSA-N 2 1 294.405 3.818 20 0 CHADMP Cc1ccc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000517536368 333101537 /nfs/dbraw/zinc/10/15/37/333101537.db2.gz AERLOLJIHUQQKF-HDICACEKSA-N 2 1 288.479 3.843 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 ZINC000336868594 335122517 /nfs/dbraw/zinc/12/25/17/335122517.db2.gz XSZGFEINRVDDFJ-ATZDWAIDSA-N 2 1 297.446 3.754 20 0 CHADMP CCCC[C@H](CC)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000217929509 333125186 /nfs/dbraw/zinc/12/51/86/333125186.db2.gz HIBMXOUOPCMCSF-XUWVNRHRSA-N 2 1 254.462 3.521 20 0 CHADMP CC(C)[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000184953935 333133593 /nfs/dbraw/zinc/13/35/93/333133593.db2.gz SWMAIMGATMABTF-PKOBYXMFSA-N 2 1 286.463 3.630 20 0 CHADMP CCC[N@H+](CC)CC[NH2+]CC[C@H](C)c1ccccc1 ZINC000219435240 333149366 /nfs/dbraw/zinc/14/93/66/333149366.db2.gz QVILHXXNMCYLLC-INIZCTEOSA-N 2 1 262.441 3.502 20 0 CHADMP CCC[N@@H+](CC)CC[NH2+]CC[C@H](C)c1ccccc1 ZINC000219435240 333149369 /nfs/dbraw/zinc/14/93/69/333149369.db2.gz QVILHXXNMCYLLC-INIZCTEOSA-N 2 1 262.441 3.502 20 0 CHADMP CCc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)s1 ZINC000225121934 333231425 /nfs/dbraw/zinc/23/14/25/333231425.db2.gz GVLAUAWCHDDBDY-CVEARBPZSA-N 2 1 272.417 3.545 20 0 CHADMP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CCC[NH+]1CCCCC1 ZINC000195632312 333258190 /nfs/dbraw/zinc/25/81/90/333258190.db2.gz IWDHCQUVPNZOPV-CQSZACIVSA-N 2 1 296.405 3.834 20 0 CHADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000195632312 333258192 /nfs/dbraw/zinc/25/81/92/333258192.db2.gz IWDHCQUVPNZOPV-CQSZACIVSA-N 2 1 296.405 3.834 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000226864792 333271365 /nfs/dbraw/zinc/27/13/65/333271365.db2.gz YGJAPLBNHYHMIN-VVLHAWIVSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000226864792 333271366 /nfs/dbraw/zinc/27/13/66/333271366.db2.gz YGJAPLBNHYHMIN-VVLHAWIVSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)C1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000227832309 333289073 /nfs/dbraw/zinc/28/90/73/333289073.db2.gz HWSXIWVGAMFRGH-UHFFFAOYSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(F)cc1F ZINC000522546477 333289636 /nfs/dbraw/zinc/28/96/36/333289636.db2.gz NQPPCBDILBSTRM-WBMJQRKESA-N 2 1 298.421 3.982 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000230383606 333316719 /nfs/dbraw/zinc/31/67/19/333316719.db2.gz CKXZVNZHZCIHAE-UHFFFAOYSA-N 2 1 294.870 3.906 20 0 CHADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCC(C(C)C)CC1 ZINC000230652961 333319437 /nfs/dbraw/zinc/31/94/37/333319437.db2.gz MEPNOOYKNXZYRR-FHERZECASA-N 2 1 254.462 3.521 20 0 CHADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCC(C(C)C)CC1 ZINC000230652961 333319438 /nfs/dbraw/zinc/31/94/38/333319438.db2.gz MEPNOOYKNXZYRR-FHERZECASA-N 2 1 254.462 3.521 20 0 CHADMP C[C@H]([NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1)C1CC(F)(F)C1 ZINC000529530887 333493531 /nfs/dbraw/zinc/49/35/31/333493531.db2.gz JAMZSAHDPIJVMK-IPYPFGDCSA-N 2 1 288.426 3.520 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc2ccccc21 ZINC000530218320 333528794 /nfs/dbraw/zinc/52/87/94/333528794.db2.gz IQONKTJIOGQMPD-KDOFPFPSSA-N 2 1 280.415 3.775 20 0 CHADMP CC(C)(C)[NH+]1CCC(Nc2cccc3cc[nH+]cc32)CC1 ZINC000540826965 333748960 /nfs/dbraw/zinc/74/89/60/333748960.db2.gz NYSYBDWNUXTLBP-UHFFFAOYSA-N 2 1 283.419 3.910 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CC)CCCCC2)[C@H](C)C1 ZINC000546573670 334038628 /nfs/dbraw/zinc/03/86/28/334038628.db2.gz QVDDDHTVBLNFPE-HZPDHXFCSA-N 2 1 266.473 3.667 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccs2)CC1 ZINC000134174238 334082879 /nfs/dbraw/zinc/08/28/79/334082879.db2.gz OWEHAQYBVRWDFJ-UHFFFAOYSA-N 2 1 280.481 3.692 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C(C)(C)C)s1 ZINC000564324189 334099918 /nfs/dbraw/zinc/09/99/18/334099918.db2.gz FZHZGELWIQFXLH-HIFRSBDPSA-N 2 1 294.508 3.818 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C(C)(C)C)s1 ZINC000564324189 334099920 /nfs/dbraw/zinc/09/99/20/334099920.db2.gz FZHZGELWIQFXLH-HIFRSBDPSA-N 2 1 294.508 3.818 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(C(C)(C)C)s1 ZINC000564324189 334099921 /nfs/dbraw/zinc/09/99/21/334099921.db2.gz FZHZGELWIQFXLH-HIFRSBDPSA-N 2 1 294.508 3.818 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(C(C)(C)C)s1 ZINC000564324189 334099923 /nfs/dbraw/zinc/09/99/23/334099923.db2.gz FZHZGELWIQFXLH-HIFRSBDPSA-N 2 1 294.508 3.818 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000245425941 334191979 /nfs/dbraw/zinc/19/19/79/334191979.db2.gz KZIRQHLGYJVDTA-BBRMVZONSA-N 2 1 280.843 3.502 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000245425941 334191980 /nfs/dbraw/zinc/19/19/80/334191980.db2.gz KZIRQHLGYJVDTA-BBRMVZONSA-N 2 1 280.843 3.502 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000245425941 334191981 /nfs/dbraw/zinc/19/19/81/334191981.db2.gz KZIRQHLGYJVDTA-BBRMVZONSA-N 2 1 280.843 3.502 20 0 CHADMP c1ccc2c(c1)CCC[C@H]2[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245433128 334192719 /nfs/dbraw/zinc/19/27/19/334192719.db2.gz BSBSADLMZWLCMY-FXAWDEMLSA-N 2 1 298.474 3.872 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(C)cc(C)c2)C1 ZINC000246928655 334272199 /nfs/dbraw/zinc/27/21/99/334272199.db2.gz HATKHDMJRKQFNL-SJORKVTESA-N 2 1 274.452 3.686 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000246929744 334272237 /nfs/dbraw/zinc/27/22/37/334272237.db2.gz GYWNOWXZVBSEIZ-KSSFIOAISA-N 2 1 290.426 3.523 20 0 CHADMP CCC[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccccn1 ZINC000245953589 334225485 /nfs/dbraw/zinc/22/54/85/334225485.db2.gz SVXHPXDYMVVJEP-IAGOWNOFSA-N 2 1 289.467 3.777 20 0 CHADMP CCC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccccn1 ZINC000245953589 334225486 /nfs/dbraw/zinc/22/54/86/334225486.db2.gz SVXHPXDYMVVJEP-IAGOWNOFSA-N 2 1 289.467 3.777 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(C)oc3ccccc32)[C@@H](C)C1 ZINC000245961974 334225894 /nfs/dbraw/zinc/22/58/94/334225894.db2.gz YHXILYCYIFJPIF-SUMWQHHRSA-N 2 1 286.419 3.561 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC(C)(C)C2)C[C@@H]1c1ccccc1 ZINC000550702699 334227334 /nfs/dbraw/zinc/22/73/34/334227334.db2.gz AHWIUZLCBYKOBH-RCCFBDPRSA-N 2 1 286.463 3.990 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC(C)(C)C2)C[C@@H]1c1ccccc1 ZINC000550702699 334227335 /nfs/dbraw/zinc/22/73/35/334227335.db2.gz AHWIUZLCBYKOBH-RCCFBDPRSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000551007212 334236131 /nfs/dbraw/zinc/23/61/31/334236131.db2.gz ZAUCTLHFJKHYHH-XGXHKWSGSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000551007212 334236132 /nfs/dbraw/zinc/23/61/32/334236132.db2.gz ZAUCTLHFJKHYHH-XGXHKWSGSA-N 2 1 286.463 3.990 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551008792 334236149 /nfs/dbraw/zinc/23/61/49/334236149.db2.gz ZFSOIJPKEIIFFZ-CWLKWCNXSA-N 2 1 274.452 3.846 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551008792 334236150 /nfs/dbraw/zinc/23/61/50/334236150.db2.gz ZFSOIJPKEIIFFZ-CWLKWCNXSA-N 2 1 274.452 3.846 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]CCC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000551007955 334236242 /nfs/dbraw/zinc/23/62/42/334236242.db2.gz QXVUAMPQWLZSTP-IAGOWNOFSA-N 2 1 274.452 3.848 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000551007955 334236244 /nfs/dbraw/zinc/23/62/44/334236244.db2.gz QXVUAMPQWLZSTP-IAGOWNOFSA-N 2 1 274.452 3.848 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C[C@H]1c1ccccc1 ZINC000551176369 334240070 /nfs/dbraw/zinc/24/00/70/334240070.db2.gz SYYSYQVCKKZILW-MSOLQXFVSA-N 2 1 286.463 3.848 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C[C@H]1c1ccccc1 ZINC000551176369 334240071 /nfs/dbraw/zinc/24/00/71/334240071.db2.gz SYYSYQVCKKZILW-MSOLQXFVSA-N 2 1 286.463 3.848 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)(C)C)[C@H]2CCC[C@H]21 ZINC000551229009 334241753 /nfs/dbraw/zinc/24/17/53/334241753.db2.gz POFVTPBYCFIAOH-QLFBSQMISA-N 2 1 266.473 3.521 20 0 CHADMP CC1=CC[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000551268314 334244036 /nfs/dbraw/zinc/24/40/36/334244036.db2.gz VHIKRBGYTFBYGZ-IRXDYDNUSA-N 2 1 264.457 3.587 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000246245312 334245446 /nfs/dbraw/zinc/24/54/46/334245446.db2.gz IJRDEHSOOLQGCZ-DJIMGWMZSA-N 2 1 275.440 3.625 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000246245312 334245447 /nfs/dbraw/zinc/24/54/47/334245447.db2.gz IJRDEHSOOLQGCZ-DJIMGWMZSA-N 2 1 275.440 3.625 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000246245321 334245500 /nfs/dbraw/zinc/24/55/00/334245500.db2.gz IJRDEHSOOLQGCZ-PVAVHDDUSA-N 2 1 275.440 3.625 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000246245321 334245501 /nfs/dbraw/zinc/24/55/01/334245501.db2.gz IJRDEHSOOLQGCZ-PVAVHDDUSA-N 2 1 275.440 3.625 20 0 CHADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246457501 334258420 /nfs/dbraw/zinc/25/84/20/334258420.db2.gz YMMMAXTWDBFZJV-HOTGVXAUSA-N 2 1 282.431 3.784 20 0 CHADMP CC(C)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000247132841 334276176 /nfs/dbraw/zinc/27/61/76/334276176.db2.gz RTVOBBMZPNCEML-OGWHTMIXSA-N 2 1 288.479 3.745 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)C2CCCC2)CC[N@@H+]1C ZINC000246845659 334270709 /nfs/dbraw/zinc/27/07/09/334270709.db2.gz BDOYMVXNGPTUNC-AYOQOUSVSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)C2CCCC2)CC[N@H+]1C ZINC000246845659 334270710 /nfs/dbraw/zinc/27/07/10/334270710.db2.gz BDOYMVXNGPTUNC-AYOQOUSVSA-N 2 1 286.463 3.990 20 0 CHADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)ccc1Cl ZINC000552067616 334284973 /nfs/dbraw/zinc/28/49/73/334284973.db2.gz RJACBIZEHHKPET-USXIJHARSA-N 2 1 292.854 3.611 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)c1ccccc1 ZINC000247982935 334292906 /nfs/dbraw/zinc/29/29/06/334292906.db2.gz INPKPTYVQDCYRM-SZMVWBNQSA-N 2 1 288.479 3.815 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)(C)c1ccccc1 ZINC000247982935 334292907 /nfs/dbraw/zinc/29/29/07/334292907.db2.gz INPKPTYVQDCYRM-SZMVWBNQSA-N 2 1 288.479 3.815 20 0 CHADMP C[C@H](CCC1CCCCC1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248173695 334296394 /nfs/dbraw/zinc/29/63/94/334296394.db2.gz VFFPUXZFPBKTNJ-HLLBOEOZSA-N 2 1 266.473 3.808 20 0 CHADMP C[C@H](CCC1CCCCC1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248173695 334296396 /nfs/dbraw/zinc/29/63/96/334296396.db2.gz VFFPUXZFPBKTNJ-HLLBOEOZSA-N 2 1 266.473 3.808 20 0 CHADMP C[C@H]([NH2+][C@H]1CCc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248397579 334300054 /nfs/dbraw/zinc/30/00/54/334300054.db2.gz IBMJUXDJSANWFL-KNBMTAEXSA-N 2 1 298.474 3.917 20 0 CHADMP CCCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000552290850 334314025 /nfs/dbraw/zinc/31/40/25/334314025.db2.gz VFEFOFBALJRALA-LPHOPBHVSA-N 2 1 288.479 3.801 20 0 CHADMP CCCc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000552290850 334314026 /nfs/dbraw/zinc/31/40/26/334314026.db2.gz VFEFOFBALJRALA-LPHOPBHVSA-N 2 1 288.479 3.801 20 0 CHADMP CCCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000552290850 334314028 /nfs/dbraw/zinc/31/40/28/334314028.db2.gz VFEFOFBALJRALA-LPHOPBHVSA-N 2 1 288.479 3.801 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cs2)[C@@H](C)C1 ZINC000248741522 334315384 /nfs/dbraw/zinc/31/53/84/334315384.db2.gz RAIFDVOOYIDUHE-FZMZJTMJSA-N 2 1 286.872 3.564 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cs2)[C@@H](C)C1 ZINC000248741522 334315386 /nfs/dbraw/zinc/31/53/86/334315386.db2.gz RAIFDVOOYIDUHE-FZMZJTMJSA-N 2 1 286.872 3.564 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)cs2)[C@@H](C)C1 ZINC000248741522 334315388 /nfs/dbraw/zinc/31/53/88/334315388.db2.gz RAIFDVOOYIDUHE-FZMZJTMJSA-N 2 1 286.872 3.564 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)cs2)[C@@H](C)C1 ZINC000248741522 334315389 /nfs/dbraw/zinc/31/53/89/334315389.db2.gz RAIFDVOOYIDUHE-FZMZJTMJSA-N 2 1 286.872 3.564 20 0 CHADMP C[C@H]1C[C@@H]([NH2+][C@H]2c3ccccc3CCC[C@H]2C)CC[N@@H+]1C ZINC000248750868 334315940 /nfs/dbraw/zinc/31/59/40/334315940.db2.gz FVEWWYUAQRGRLI-WXSAJPJJSA-N 2 1 286.463 3.772 20 0 CHADMP C[C@H]1C[C@@H]([NH2+][C@H]2c3ccccc3CCC[C@H]2C)CC[N@H+]1C ZINC000248750868 334315942 /nfs/dbraw/zinc/31/59/42/334315942.db2.gz FVEWWYUAQRGRLI-WXSAJPJJSA-N 2 1 286.463 3.772 20 0 CHADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3occc32)C1 ZINC000248760084 334316794 /nfs/dbraw/zinc/31/67/94/334316794.db2.gz DIGLUXCLJVHPPB-RDJZCZTQSA-N 2 1 290.451 3.615 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3occc32)C1 ZINC000248760084 334316795 /nfs/dbraw/zinc/31/67/95/334316795.db2.gz DIGLUXCLJVHPPB-RDJZCZTQSA-N 2 1 290.451 3.615 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1C ZINC000552337194 334318106 /nfs/dbraw/zinc/31/81/06/334318106.db2.gz PJJYERVBCRBPBG-CVEARBPZSA-N 2 1 260.425 3.520 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1C ZINC000552337194 334318108 /nfs/dbraw/zinc/31/81/08/334318108.db2.gz PJJYERVBCRBPBG-CVEARBPZSA-N 2 1 260.425 3.520 20 0 CHADMP c1ccc(C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000249144200 334329087 /nfs/dbraw/zinc/32/90/87/334329087.db2.gz WWCLITQMCIRGLJ-HAGHYFMRSA-N 2 1 298.474 3.614 20 0 CHADMP CC[N@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCCC[C@H]1C ZINC000249398238 334333271 /nfs/dbraw/zinc/33/32/71/334333271.db2.gz SBASQQAVRUYWGT-NVXWUHKLSA-N 2 1 277.456 3.872 20 0 CHADMP CC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCCC[C@H]1C ZINC000249398238 334333272 /nfs/dbraw/zinc/33/32/72/334333272.db2.gz SBASQQAVRUYWGT-NVXWUHKLSA-N 2 1 277.456 3.872 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)Cc2ccccc2)[C@@H](C)C1 ZINC000249420322 334333709 /nfs/dbraw/zinc/33/37/09/334333709.db2.gz HJZIXHJFBXGGFP-LNLFQRSKSA-N 2 1 288.479 3.527 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)Cc2ccccc2)[C@@H](C)C1 ZINC000249420322 334333710 /nfs/dbraw/zinc/33/37/10/334333710.db2.gz HJZIXHJFBXGGFP-LNLFQRSKSA-N 2 1 288.479 3.527 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)Cc2ccccc2)[C@@H](C)C1 ZINC000249420322 334333711 /nfs/dbraw/zinc/33/37/11/334333711.db2.gz HJZIXHJFBXGGFP-LNLFQRSKSA-N 2 1 288.479 3.527 20 0 CHADMP CCCc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000249446070 334334163 /nfs/dbraw/zinc/33/41/63/334334163.db2.gz NHUBFFCUNLMOPP-MAUKXSAKSA-N 2 1 274.452 3.554 20 0 CHADMP CCCc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000249446070 334334164 /nfs/dbraw/zinc/33/41/64/334334164.db2.gz NHUBFFCUNLMOPP-MAUKXSAKSA-N 2 1 274.452 3.554 20 0 CHADMP CCCc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000249446070 334334166 /nfs/dbraw/zinc/33/41/66/334334166.db2.gz NHUBFFCUNLMOPP-MAUKXSAKSA-N 2 1 274.452 3.554 20 0 CHADMP CCCc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000249446070 334334167 /nfs/dbraw/zinc/33/41/67/334334167.db2.gz NHUBFFCUNLMOPP-MAUKXSAKSA-N 2 1 274.452 3.554 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CCCc2ccc(Cl)cc2)[C@H](C)C1 ZINC000089541429 334346390 /nfs/dbraw/zinc/34/63/90/334346390.db2.gz ANKQHPLKUHSXKB-PBHICJAKSA-N 2 1 294.870 3.593 20 0 CHADMP CC[C@@H](C)C[C@H](CC)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000251672522 334366484 /nfs/dbraw/zinc/36/64/84/334366484.db2.gz COIJQWRMOHFKNO-OZSLIKBDSA-N 2 1 266.473 3.806 20 0 CHADMP CC[C@@H](C)C[C@H](CC)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000251672522 334366485 /nfs/dbraw/zinc/36/64/85/334366485.db2.gz COIJQWRMOHFKNO-OZSLIKBDSA-N 2 1 266.473 3.806 20 0 CHADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000251830808 334370537 /nfs/dbraw/zinc/37/05/37/334370537.db2.gz ZQYGNDAMHTVBMV-CABCVRRESA-N 2 1 274.452 3.586 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCC(C)(C)c3ccccc32)C1 ZINC000252439539 334379872 /nfs/dbraw/zinc/37/98/72/334379872.db2.gz PYXDVDZFWHUHCQ-YJBOKZPZSA-N 2 1 286.463 3.731 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(CC(C)C)cc2)C1 ZINC000252439586 334379919 /nfs/dbraw/zinc/37/99/19/334379919.db2.gz QIKIPVNJQLYJAN-AEFFLSMTSA-N 2 1 288.479 3.878 20 0 CHADMP c1sc2ccccc2c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252673246 334384855 /nfs/dbraw/zinc/38/48/55/334384855.db2.gz HUVBFNIBVPMKKM-CABCVRRESA-N 2 1 286.444 3.618 20 0 CHADMP c1ccc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)ccc2c1 ZINC000252673236 334384892 /nfs/dbraw/zinc/38/48/92/334384892.db2.gz HQPWEVSQXKWWOS-MOPGFXCFSA-N 2 1 280.415 3.556 20 0 CHADMP CC(C)(C)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252674608 334385105 /nfs/dbraw/zinc/38/51/05/334385105.db2.gz SPIUXJIYCFTJKN-MSOLQXFVSA-N 2 1 286.463 3.701 20 0 CHADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000252711109 334386051 /nfs/dbraw/zinc/38/60/51/334386051.db2.gz IOPBIXIKLGPBAE-JKSUJKDBSA-N 2 1 292.442 3.611 20 0 CHADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCCc3sccc32)c2ccccc21 ZINC000252776022 334392362 /nfs/dbraw/zinc/39/23/62/334392362.db2.gz KIPFUDFGXIJTNK-PMPSAXMXSA-N 2 1 284.428 3.860 20 0 CHADMP CC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(OC)cc1 ZINC000262378236 334546776 /nfs/dbraw/zinc/54/67/76/334546776.db2.gz YLYZFVLLNJSFDV-QYZOEREBSA-N 2 1 296.414 3.881 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1)c1c[nH+]ccc1N ZINC000565357365 334555082 /nfs/dbraw/zinc/55/50/82/334555082.db2.gz JJFRWWXVTVISCW-JGGQBBKZSA-N 2 1 299.393 3.620 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1)c1c[nH+]ccc1N ZINC000565357364 334555141 /nfs/dbraw/zinc/55/51/41/334555141.db2.gz JJFRWWXVTVISCW-DUVNUKRYSA-N 2 1 299.393 3.620 20 0 CHADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(Cl)c1Cl ZINC000276673742 334804265 /nfs/dbraw/zinc/80/42/65/334804265.db2.gz PIJIWMZCVDLOHR-JTQLQIEISA-N 2 1 298.217 3.620 20 0 CHADMP CCC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)c1ccccn1 ZINC000158723678 334812218 /nfs/dbraw/zinc/81/22/18/334812218.db2.gz DYZQNTUONAFBDG-SJORKVTESA-N 2 1 289.467 3.634 20 0 CHADMP F[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000577177051 335316543 /nfs/dbraw/zinc/31/65/43/335316543.db2.gz AKQQXVOZRZOPMA-SJLPKXTDSA-N 2 1 290.426 3.521 20 0 CHADMP CCc1ccc([C@H]([NH2+][C@H]2CCc3[nH]cnc3C2)C(C)C)cc1 ZINC000577249993 335329814 /nfs/dbraw/zinc/32/98/14/335329814.db2.gz IGBJYJYAFFBUSJ-QFBILLFUSA-N 2 1 297.446 3.816 20 0 CHADMP CC[NH+]1CCC(CNc2[nH+]ccc3c(C)cccc32)CC1 ZINC000578762554 335671533 /nfs/dbraw/zinc/67/15/33/335671533.db2.gz VOHJPWLUUZGJIV-UHFFFAOYSA-N 2 1 283.419 3.687 20 0 CHADMP C[C@@H]([NH2+][C@H]1CCC[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381777880 336072758 /nfs/dbraw/zinc/07/27/58/336072758.db2.gz XBNNELJWHZVWMC-RWQQGDIJSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000581437058 336077904 /nfs/dbraw/zinc/07/79/04/336077904.db2.gz YHBQGIHTQFITJB-CHWSQXEVSA-N 2 1 289.810 3.624 20 0 CHADMP C[C@H](CC1CC1)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381935996 336078600 /nfs/dbraw/zinc/07/86/00/336078600.db2.gz UQGSOEMEGFOZLB-GJYPPUQNSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H]([NH2+]CCC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382026441 336080441 /nfs/dbraw/zinc/08/04/41/336080441.db2.gz BECWBZCYIYVQNO-SJLPKXTDSA-N 2 1 288.479 3.923 20 0 CHADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000581556042 336102309 /nfs/dbraw/zinc/10/23/09/336102309.db2.gz LPSHBFBRJCKJOS-MOPGFXCFSA-N 2 1 297.446 3.669 20 0 CHADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000383793929 336117849 /nfs/dbraw/zinc/11/78/49/336117849.db2.gz XGNMBQKIVAJMRD-KTAKPFMOSA-N 2 1 294.870 3.904 20 0 CHADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000383793929 336117850 /nfs/dbraw/zinc/11/78/50/336117850.db2.gz XGNMBQKIVAJMRD-KTAKPFMOSA-N 2 1 294.870 3.904 20 0 CHADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000383793927 336117885 /nfs/dbraw/zinc/11/78/85/336117885.db2.gz XGNMBQKIVAJMRD-BZOOQXSSSA-N 2 1 294.870 3.904 20 0 CHADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000383793927 336117886 /nfs/dbraw/zinc/11/78/86/336117886.db2.gz XGNMBQKIVAJMRD-BZOOQXSSSA-N 2 1 294.870 3.904 20 0 CHADMP c1csc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000581829426 336148919 /nfs/dbraw/zinc/14/89/19/336148919.db2.gz RVISAMJCNGDGJG-KRWDZBQOSA-N 2 1 298.455 3.731 20 0 CHADMP CC(C)CCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000038093737 519641182 /nfs/dbraw/zinc/64/11/82/519641182.db2.gz ARVCSCWLCARLPF-UHFFFAOYSA-N 2 1 288.479 3.719 20 0 CHADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCCc3sccc32)CC1 ZINC000061325378 519673888 /nfs/dbraw/zinc/67/38/88/519673888.db2.gz KPXUQYFKMUNIHZ-HNNXBMFYSA-N 2 1 278.465 3.588 20 0 CHADMP CC(C)SCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340398172 519787717 /nfs/dbraw/zinc/78/77/17/519787717.db2.gz SZTSXCZPQLVGED-IAGOWNOFSA-N 2 1 292.492 3.553 20 0 CHADMP CC(C)SCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340398172 519787718 /nfs/dbraw/zinc/78/77/18/519787718.db2.gz SZTSXCZPQLVGED-IAGOWNOFSA-N 2 1 292.492 3.553 20 0 CHADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2OC)CC1 ZINC000037150175 520578079 /nfs/dbraw/zinc/57/80/79/520578079.db2.gz PUOIMKMLOBNCGO-HNNXBMFYSA-N 2 1 290.451 3.610 20 0 CHADMP CCC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000037140845 520771332 /nfs/dbraw/zinc/77/13/32/520771332.db2.gz PFIGEIFSMHYHPV-GOSISDBHSA-N 2 1 272.436 3.744 20 0 CHADMP CCC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000037649495 520780771 /nfs/dbraw/zinc/78/07/71/520780771.db2.gz FWZMQBHBZBPWAT-CRAIPNDOSA-N 2 1 272.436 3.602 20 0 CHADMP CC1=C[C@@H](C)C[C@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000365660592 520880781 /nfs/dbraw/zinc/88/07/81/520880781.db2.gz GKOSZZMFLIZTSG-KQBLMWHVSA-N 2 1 276.468 3.536 20 0 CHADMP CC1=C[C@@H](C)C[C@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000365660592 520880789 /nfs/dbraw/zinc/88/07/89/520880789.db2.gz GKOSZZMFLIZTSG-KQBLMWHVSA-N 2 1 276.468 3.536 20 0 CHADMP CC1=C[C@@H](C)C[C@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000365660592 520880797 /nfs/dbraw/zinc/88/07/97/520880797.db2.gz GKOSZZMFLIZTSG-KQBLMWHVSA-N 2 1 276.468 3.536 20 0 CHADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc2ccccc2o1 ZINC000340690988 521013868 /nfs/dbraw/zinc/01/38/68/521013868.db2.gz ZADBKTIEGSTGQP-UHFFFAOYSA-N 2 1 286.419 3.741 20 0 CHADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc2ccccc2o1 ZINC000340690988 521013874 /nfs/dbraw/zinc/01/38/74/521013874.db2.gz ZADBKTIEGSTGQP-UHFFFAOYSA-N 2 1 286.419 3.741 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](C)c2cccc(OC(C)C)c2)CC1 ZINC000036997318 521580109 /nfs/dbraw/zinc/58/01/09/521580109.db2.gz DOCAGXKIPFUIPV-OAHLLOKOSA-N 2 1 290.451 3.609 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000280390844 521582658 /nfs/dbraw/zinc/58/26/58/521582658.db2.gz WXPJMRGTTXGZNC-CZIWCDLHSA-N 2 1 292.854 3.660 20 0 CHADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3ccc(C)cc3)o2)C1 ZINC000120805538 521710878 /nfs/dbraw/zinc/71/08/78/521710878.db2.gz GQGYIKDQPBZWED-INIZCTEOSA-N 2 1 298.430 3.686 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3ccc(C)cc3)o2)C1 ZINC000120805538 521710879 /nfs/dbraw/zinc/71/08/79/521710879.db2.gz GQGYIKDQPBZWED-INIZCTEOSA-N 2 1 298.430 3.686 20 0 CHADMP CC[C@H](CSC)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340314516 522286658 /nfs/dbraw/zinc/28/66/58/522286658.db2.gz DHPYKELGOSNNIU-IXDOHACOSA-N 2 1 292.492 3.553 20 0 CHADMP CC[C@H](CSC)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340314516 522286670 /nfs/dbraw/zinc/28/66/70/522286670.db2.gz DHPYKELGOSNNIU-IXDOHACOSA-N 2 1 292.492 3.553 20 0 CHADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000338021568 522590195 /nfs/dbraw/zinc/59/01/95/522590195.db2.gz WADXZEFIZOQXBP-INIZCTEOSA-N 2 1 291.826 3.976 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1cccc(Cl)c1F ZINC000161582969 522854876 /nfs/dbraw/zinc/85/48/76/522854876.db2.gz KBADQAPVVQFURU-SWLSCSKDSA-N 2 1 298.833 3.862 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cccc(Cl)c1F ZINC000161582969 522854887 /nfs/dbraw/zinc/85/48/87/522854887.db2.gz KBADQAPVVQFURU-SWLSCSKDSA-N 2 1 298.833 3.862 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000072860640 523092447 /nfs/dbraw/zinc/09/24/47/523092447.db2.gz WGBYKPMHSAPOTN-PBHICJAKSA-N 2 1 278.415 3.550 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000072860640 523092453 /nfs/dbraw/zinc/09/24/53/523092453.db2.gz WGBYKPMHSAPOTN-PBHICJAKSA-N 2 1 278.415 3.550 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000072860640 523092462 /nfs/dbraw/zinc/09/24/62/523092462.db2.gz WGBYKPMHSAPOTN-PBHICJAKSA-N 2 1 278.415 3.550 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000072860640 523092467 /nfs/dbraw/zinc/09/24/67/523092467.db2.gz WGBYKPMHSAPOTN-PBHICJAKSA-N 2 1 278.415 3.550 20 0 CHADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(C(F)F)cc3)C2)C1 ZINC000292886340 523835855 /nfs/dbraw/zinc/83/58/55/523835855.db2.gz FHVUHUHSEJEPLA-QGZVFWFLSA-N 2 1 294.389 3.542 20 0 CHADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(C(F)F)cc3)C2)C1 ZINC000292886340 523835856 /nfs/dbraw/zinc/83/58/56/523835856.db2.gz FHVUHUHSEJEPLA-QGZVFWFLSA-N 2 1 294.389 3.542 20 0 CHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(C(F)F)cc3)C2)C1 ZINC000292886340 523835858 /nfs/dbraw/zinc/83/58/58/523835858.db2.gz FHVUHUHSEJEPLA-QGZVFWFLSA-N 2 1 294.389 3.542 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2CC(c3ccccc3Cl)C2)CC[N@@H+]1C ZINC000157658087 525264136 /nfs/dbraw/zinc/26/41/36/525264136.db2.gz BWLPWQYEYQLUPC-JLVJUDLZSA-N 2 1 292.854 3.658 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2CC(c3ccccc3Cl)C2)CC[N@H+]1C ZINC000157658087 525264149 /nfs/dbraw/zinc/26/41/49/525264149.db2.gz BWLPWQYEYQLUPC-JLVJUDLZSA-N 2 1 292.854 3.658 20 0 CHADMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(Cl)cn1 ZINC000274740684 525288537 /nfs/dbraw/zinc/28/85/37/525288537.db2.gz AEFBVUOIBRIIFR-NSHDSACASA-N 2 1 295.858 3.695 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000037140855 525401628 /nfs/dbraw/zinc/40/16/28/525401628.db2.gz UOEHLFKOSQSEHO-GFCCVEGCSA-N 2 1 278.827 3.617 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)CC[N@@H+]1C ZINC000280965812 525444525 /nfs/dbraw/zinc/44/45/25/525444525.db2.gz KXRYBUDIOXOPTD-MOIQIXESSA-N 2 1 290.426 3.534 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)CC[N@H+]1C ZINC000280965812 525444533 /nfs/dbraw/zinc/44/45/33/525444533.db2.gz KXRYBUDIOXOPTD-MOIQIXESSA-N 2 1 290.426 3.534 20 0 CHADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)c2ccccc21 ZINC000340354688 525468427 /nfs/dbraw/zinc/46/84/27/525468427.db2.gz HIMAIDITJYQYJG-CYBMUJFWSA-N 2 1 297.377 3.606 20 0 CHADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(Cl)cn1 ZINC000274943012 525541302 /nfs/dbraw/zinc/54/13/02/525541302.db2.gz TXPLHNGHESAAPX-WFASDCNBSA-N 2 1 297.874 3.752 20 0 CHADMP Cc1ccsc1[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088163999 525869053 /nfs/dbraw/zinc/86/90/53/525869053.db2.gz WJULPTXCYVQXMM-FFHGMXDLSA-N 2 1 278.465 3.722 20 0 CHADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527692 526038763 /nfs/dbraw/zinc/03/87/63/526038763.db2.gz OVUOBCBANDDYFV-LSDHHAIUSA-N 2 1 274.452 3.716 20 0 CHADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226327112 526046403 /nfs/dbraw/zinc/04/64/03/526046403.db2.gz JKLOVEUAEPAVKZ-RYUDHWBXSA-N 2 1 284.806 3.601 20 0 CHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccco1 ZINC000069706879 526251488 /nfs/dbraw/zinc/25/14/88/526251488.db2.gz VTUXCQAEULMQGE-INIZCTEOSA-N 2 1 298.430 3.944 20 0 CHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccco1 ZINC000069706879 526251491 /nfs/dbraw/zinc/25/14/91/526251491.db2.gz VTUXCQAEULMQGE-INIZCTEOSA-N 2 1 298.430 3.944 20 0 CHADMP Cc1nc(C)c([C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)s1 ZINC000111360077 526751975 /nfs/dbraw/zinc/75/19/75/526751975.db2.gz FJPBVUNHWAOMIO-ZDUSSCGKSA-N 2 1 295.496 3.533 20 0 CHADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCSc3ccccc32)c2ccccc21 ZINC000157367826 527375782 /nfs/dbraw/zinc/37/57/82/527375782.db2.gz DQJJRZDIGCMGDY-BRWVUGGUSA-N 2 1 296.439 3.958 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CCCC2)cc1 ZINC000151246058 527378240 /nfs/dbraw/zinc/37/82/40/527378240.db2.gz XQKIOWVDLYFAAB-CYBMUJFWSA-N 2 1 269.392 3.774 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C(C)C)c2)[C@@H](C)C1 ZINC000480671354 527881839 /nfs/dbraw/zinc/88/18/39/527881839.db2.gz XRJXOPMHDORKLN-YJBOKZPZSA-N 2 1 274.452 3.630 20 0 CHADMP CCC[C@H](C)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192923340 528033255 /nfs/dbraw/zinc/03/32/55/528033255.db2.gz GQEZWCLBMHIOFB-WMZOPIPTSA-N 2 1 274.452 3.534 20 0 CHADMP CC1CCC(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)CC1 ZINC000353647965 528176714 /nfs/dbraw/zinc/17/67/14/528176714.db2.gz SYNUPACFGWFUMF-UHFFFAOYSA-N 2 1 289.467 3.501 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc3occc3c2)C1 ZINC000347859254 528184725 /nfs/dbraw/zinc/18/47/25/528184725.db2.gz QENHXWAXLIGLFJ-MRXNPFEDSA-N 2 1 286.419 3.597 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc3occc3c2)C1 ZINC000347859254 528184731 /nfs/dbraw/zinc/18/47/31/528184731.db2.gz QENHXWAXLIGLFJ-MRXNPFEDSA-N 2 1 286.419 3.597 20 0 CHADMP CC[NH+](CC)[C@@H](C)C[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000353239396 528232359 /nfs/dbraw/zinc/23/23/59/528232359.db2.gz BKXIELSROUVONY-QWHCGFSZSA-N 2 1 276.415 3.520 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000353239394 528267945 /nfs/dbraw/zinc/26/79/45/528267945.db2.gz BKXIELSROUVONY-OLZOCXBDSA-N 2 1 276.415 3.520 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000353239393 528267960 /nfs/dbraw/zinc/26/79/60/528267960.db2.gz BKXIELSROUVONY-CHWSQXEVSA-N 2 1 276.415 3.520 20 0 CHADMP CC(C)C[C@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192918151 528475972 /nfs/dbraw/zinc/47/59/72/528475972.db2.gz YGWZYDKMIAQQFF-FUHWJXTLSA-N 2 1 274.452 3.533 20 0 CHADMP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)C(C)C ZINC000341899000 535805725 /nfs/dbraw/zinc/80/57/25/535805725.db2.gz NUWAZYFUJTVHCM-MRXNPFEDSA-N 2 1 289.398 3.844 20 0 CHADMP CC[N@@H+]1CCC[C@H]1CNCc1ccc(-c2ccccc2)cc1 ZINC000022936482 567948485 /nfs/dbraw/zinc/94/84/85/567948485.db2.gz ZOWCFDFANYUDIP-FQEVSTJZSA-N 2 1 294.442 3.928 20 0 CHADMP CC[N@H+]1CCC[C@H]1CNCc1ccc(-c2ccccc2)cc1 ZINC000022936482 567948486 /nfs/dbraw/zinc/94/84/86/567948486.db2.gz ZOWCFDFANYUDIP-FQEVSTJZSA-N 2 1 294.442 3.928 20 0 CHADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@@H](C)CCc1ccccc1 ZINC001202646755 1125482783 /nfs/dbraw/zinc/48/27/83/1125482783.db2.gz MJFRVLHVGQVMGM-IRXDYDNUSA-N 2 1 276.468 3.574 20 0 CHADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@@H](C)CCc1ccccc1 ZINC001202646755 1125482785 /nfs/dbraw/zinc/48/27/85/1125482785.db2.gz MJFRVLHVGQVMGM-IRXDYDNUSA-N 2 1 276.468 3.574 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)s1 ZINC000037649002 1118278273 /nfs/dbraw/zinc/27/82/73/1118278273.db2.gz QAWVEPSWFQTTAG-MNOVXSKESA-N 2 1 284.856 3.536 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2CC(C)=C[C@H](C)C2)CC1 ZINC000581042433 1118535827 /nfs/dbraw/zinc/53/58/27/1118535827.db2.gz IPKZOJXIQNXWCK-DOTOQJQBSA-N 2 1 278.484 3.785 20 0 CHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC001648913645 1118770134 /nfs/dbraw/zinc/77/01/34/1118770134.db2.gz BXCMHHMSFGIKKZ-TWMKSMIVSA-N 2 1 280.500 3.911 20 0 CHADMP C[C@@H]([NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1)C(C)(C)C(F)F ZINC000657845156 1119508317 /nfs/dbraw/zinc/50/83/17/1119508317.db2.gz QJNXEWWICRRAKC-IOASZLSFSA-N 2 1 290.442 3.766 20 0 CHADMP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114480200 1125497586 /nfs/dbraw/zinc/49/75/86/1125497586.db2.gz RRKINSLUGLEDAX-CZUORRHYSA-N 2 1 280.843 3.675 20 0 CHADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114480200 1125497590 /nfs/dbraw/zinc/49/75/90/1125497590.db2.gz RRKINSLUGLEDAX-CZUORRHYSA-N 2 1 280.843 3.675 20 0 CHADMP CC(C)[NH2+][C@@H]1CCC[N@H+](CC[C@H]2CCC[C@@H](C)C2)C1 ZINC000251777563 1125505994 /nfs/dbraw/zinc/50/59/94/1125505994.db2.gz KYZNDZVJUIFUGR-BRWVUGGUSA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)[NH2+][C@@H]1CCC[N@@H+](CC[C@H]2CCC[C@@H](C)C2)C1 ZINC000251777563 1125505998 /nfs/dbraw/zinc/50/59/98/1125505998.db2.gz KYZNDZVJUIFUGR-BRWVUGGUSA-N 2 1 266.473 3.665 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000181745872 1120143278 /nfs/dbraw/zinc/14/32/78/1120143278.db2.gz UVGBAIVMBMYQEI-BBWFWOEESA-N 2 1 266.473 3.665 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H](C)C1CCCCC1 ZINC001181514233 1122059623 /nfs/dbraw/zinc/05/96/23/1122059623.db2.gz BRFPCCNMZZSGOS-MRXNPFEDSA-N 2 1 268.489 3.867 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001201976341 1123159638 /nfs/dbraw/zinc/15/96/38/1123159638.db2.gz LZRBDCMNPOQKIE-INIZCTEOSA-N 2 1 266.473 3.785 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001201976341 1123159639 /nfs/dbraw/zinc/15/96/39/1123159639.db2.gz LZRBDCMNPOQKIE-INIZCTEOSA-N 2 1 266.473 3.785 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1CCCC(F)(F)F ZINC001202432873 1123210834 /nfs/dbraw/zinc/21/08/34/1123210834.db2.gz ABVBIQUVAJONOY-KBPBESRZSA-N 2 1 292.389 3.668 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CCCC(F)(F)F ZINC001202432873 1123210836 /nfs/dbraw/zinc/21/08/36/1123210836.db2.gz ABVBIQUVAJONOY-KBPBESRZSA-N 2 1 292.389 3.668 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CCCC(F)(F)F ZINC001202432873 1123210838 /nfs/dbraw/zinc/21/08/38/1123210838.db2.gz ABVBIQUVAJONOY-KBPBESRZSA-N 2 1 292.389 3.668 20 0 CHADMP CC[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1cccs1 ZINC000052206038 1123478554 /nfs/dbraw/zinc/47/85/54/1123478554.db2.gz OVDMHWBQDAUBCG-KGLIPLIRSA-N 2 1 266.454 3.663 20 0 CHADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C1CCSCC1 ZINC000474707536 1123574006 /nfs/dbraw/zinc/57/40/06/1123574006.db2.gz AUNLGBFQNWDDPX-DOTOQJQBSA-N 2 1 298.540 3.762 20 0 CHADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C1CCSCC1 ZINC000474707536 1123574009 /nfs/dbraw/zinc/57/40/09/1123574009.db2.gz AUNLGBFQNWDDPX-DOTOQJQBSA-N 2 1 298.540 3.762 20 0 CHADMP CSC(C)(C)C[C@@H](C)[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001246645659 1131771477 /nfs/dbraw/zinc/77/14/77/1131771477.db2.gz NWGGORIITZGXMG-ZBFHGGJFSA-N 2 1 298.540 3.761 20 0 CHADMP CC[C@@H]1C[C@@H]([N@@H+](C)[C@H](C)c2ccc(Cl)cc2)CC[NH2+]1 ZINC001246851000 1131788668 /nfs/dbraw/zinc/78/86/68/1131788668.db2.gz XMGLSGINTPKIGR-WQVCFCJDSA-N 2 1 280.843 3.863 20 0 CHADMP CC[C@H](C)OCC[C@H](C)[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001172342988 1132178102 /nfs/dbraw/zinc/17/81/02/1132178102.db2.gz PGGAMKRRBQFQHQ-IRXDYDNUSA-N 2 1 298.515 3.632 20 0 CHADMP CC[C@@H]1CC[C@H]([N@@H+](CCC[NH3+])C2CCCCC2)C1 ZINC001173265671 1132431598 /nfs/dbraw/zinc/43/15/98/1132431598.db2.gz UUMARGQPWSJHOW-ZBFHGGJFSA-N 2 1 252.446 3.549 20 0 CHADMP CCSC[C@@H](C)[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173293652 1132442891 /nfs/dbraw/zinc/44/28/91/1132442891.db2.gz BUGZYBBMRPWWTB-RBSFLKMASA-N 2 1 286.529 3.746 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C[C@]2([NH+](C)C)CCC[C@H](C)C2)C[C@@H](C)C1 ZINC000251919968 1125522219 /nfs/dbraw/zinc/52/22/19/1125522219.db2.gz UOWAHKXLPWBCNB-AVEIZBFRSA-N 2 1 280.500 3.911 20 0 CHADMP Cc1ncccc1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000236666662 1125559065 /nfs/dbraw/zinc/55/90/65/1125559065.db2.gz FLCUGHQKWAMBKG-UHFFFAOYSA-N 2 1 297.446 3.520 20 0 CHADMP CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245706432 1125590268 /nfs/dbraw/zinc/59/02/68/1125590268.db2.gz MOTHUWPVZFFOBT-BCDXTJNWSA-N 2 1 272.436 3.572 20 0 CHADMP C[C@@H]1CC[C@@H](C)N1[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC000533374969 1125603592 /nfs/dbraw/zinc/60/35/92/1125603592.db2.gz MYQGOSITFBPTAR-BZUAXINKSA-N 2 1 266.473 3.760 20 0 CHADMP CO[C@@H]1CCC[C@@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000885923414 1125627057 /nfs/dbraw/zinc/62/70/57/1125627057.db2.gz ZMAZMDGNGVWVSL-RCCFBDPRSA-N 2 1 296.499 3.578 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@H+](C)[C@@H]1CCC[NH2+]C1 ZINC000110926723 1125681639 /nfs/dbraw/zinc/68/16/39/1125681639.db2.gz MXSTYOIKVOSIFY-GDBMZVCRSA-N 2 1 268.404 3.585 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@@H+](C)[C@@H]1CCC[NH2+]C1 ZINC000110926723 1125681642 /nfs/dbraw/zinc/68/16/42/1125681642.db2.gz MXSTYOIKVOSIFY-GDBMZVCRSA-N 2 1 268.404 3.585 20 0 CHADMP Cc1[nH]c(C2CC[NH+](CC[C@@H]3C[C@H]3C3CC3)CC2)[nH+]c1C ZINC000886659283 1125704135 /nfs/dbraw/zinc/70/41/35/1125704135.db2.gz IKSDJZGOTIVAOW-SJORKVTESA-N 2 1 287.451 3.642 20 0 CHADMP CC[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@H](C)c1cc2ccccc2o1 ZINC000262061934 1125750886 /nfs/dbraw/zinc/75/08/86/1125750886.db2.gz RHCUBHTUGRLLSS-KDOFPFPSSA-N 2 1 286.419 3.815 20 0 CHADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262017778 1125751246 /nfs/dbraw/zinc/75/12/46/1125751246.db2.gz MXPROPSWLCVIKE-QYZOEREBSA-N 2 1 286.463 3.644 20 0 CHADMP Cc1cc(Cl)cc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000508732271 1125784930 /nfs/dbraw/zinc/78/49/30/1125784930.db2.gz GINZCXKXPKBGKJ-CZUORRHYSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(Cl)cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000508732271 1125784935 /nfs/dbraw/zinc/78/49/35/1125784935.db2.gz GINZCXKXPKBGKJ-CZUORRHYSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(Cl)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000508732271 1125784938 /nfs/dbraw/zinc/78/49/38/1125784938.db2.gz GINZCXKXPKBGKJ-CZUORRHYSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000508732271 1125784943 /nfs/dbraw/zinc/78/49/43/1125784943.db2.gz GINZCXKXPKBGKJ-CZUORRHYSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(Cl)cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000508732271 1125784946 /nfs/dbraw/zinc/78/49/46/1125784946.db2.gz GINZCXKXPKBGKJ-CZUORRHYSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2=CCCC2)cc1 ZINC000645847446 1126707591 /nfs/dbraw/zinc/70/75/91/1126707591.db2.gz UGHGFKYSCYESCL-AWEZNQCLSA-N 2 1 281.403 3.942 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cc(Cl)cc(Cl)c1 ZINC000481955924 1126735366 /nfs/dbraw/zinc/73/53/66/1126735366.db2.gz YELOJBWAIJKFHI-WDEREUQCSA-N 2 1 289.250 3.984 20 0 CHADMP CCCc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000481973941 1126736186 /nfs/dbraw/zinc/73/61/86/1126736186.db2.gz BCNJBWBPSYLCSH-LJQANCHMSA-N 2 1 286.463 3.557 20 0 CHADMP CSC[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000151003676 1126749110 /nfs/dbraw/zinc/74/91/10/1126749110.db2.gz PBIGMRYBZYMGDL-STQMWFEESA-N 2 1 289.448 3.583 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)C2CCCC2)CC[N@@H+]1C ZINC000164531700 1126755937 /nfs/dbraw/zinc/75/59/37/1126755937.db2.gz BDOYMVXNGPTUNC-LZQZEXGQSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)C2CCCC2)CC[N@H+]1C ZINC000164531700 1126755939 /nfs/dbraw/zinc/75/59/39/1126755939.db2.gz BDOYMVXNGPTUNC-LZQZEXGQSA-N 2 1 286.463 3.990 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC2CCCC2)C[C@H]1C ZINC000483218042 1126774083 /nfs/dbraw/zinc/77/40/83/1126774083.db2.gz FNGLZLUQBLQPGT-NVXWUHKLSA-N 2 1 266.473 3.761 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCC2CCCC2)C[C@H]1C ZINC000483218042 1126774086 /nfs/dbraw/zinc/77/40/86/1126774086.db2.gz FNGLZLUQBLQPGT-NVXWUHKLSA-N 2 1 266.473 3.761 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCC2CCCC2)C[C@H]1C ZINC000483218042 1126774088 /nfs/dbraw/zinc/77/40/88/1126774088.db2.gz FNGLZLUQBLQPGT-NVXWUHKLSA-N 2 1 266.473 3.761 20 0 CHADMP C(CC1CCCC1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000483232816 1126774924 /nfs/dbraw/zinc/77/49/24/1126774924.db2.gz SMNMEVWPYUVJTM-GOSISDBHSA-N 2 1 278.484 3.765 20 0 CHADMP CC1=C(C)C[NH+](C/C=C/C[N@H+]2CCC(C)=C(C)C2)CC1 ZINC000483336379 1126781245 /nfs/dbraw/zinc/78/12/45/1126781245.db2.gz DVJWQPYOECCTSZ-AATRIKPKSA-N 2 1 274.452 3.627 20 0 CHADMP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000251893501 1126799601 /nfs/dbraw/zinc/79/96/01/1126799601.db2.gz WEYJIGBZYALIJO-TWMKSMIVSA-N 2 1 264.457 3.562 20 0 CHADMP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000483825418 1126802159 /nfs/dbraw/zinc/80/21/59/1126802159.db2.gz UKAJMDICVIGJTD-SJLPKXTDSA-N 2 1 288.479 3.674 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccccn2)c1 ZINC000179466749 1126828328 /nfs/dbraw/zinc/82/83/28/1126828328.db2.gz QFGJDLMEEKSOJU-INIZCTEOSA-N 2 1 297.446 3.773 20 0 CHADMP CCCC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H](C)c1ccccc1 ZINC000904324643 1126846042 /nfs/dbraw/zinc/84/60/42/1126846042.db2.gz ZKNRGVOFNWSSLX-YQQAZPJKSA-N 2 1 260.425 3.587 20 0 CHADMP c1ccc2c(c1)CCC[C@@H]2[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252413196 1126853673 /nfs/dbraw/zinc/85/36/73/1126853673.db2.gz CBUBNWBCBHBOAX-QRQLOZEOSA-N 2 1 284.447 3.528 20 0 CHADMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(Cl)nc1 ZINC000181371323 1126854929 /nfs/dbraw/zinc/85/49/29/1126854929.db2.gz LEZLIOBYFMSCLG-LLVKDONJSA-N 2 1 295.858 3.695 20 0 CHADMP Clc1cccc(C2([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000182257537 1126869601 /nfs/dbraw/zinc/86/96/01/1126869601.db2.gz QUANUMOAKCYHQM-JKSUJKDBSA-N 2 1 290.838 3.546 20 0 CHADMP Clc1cccc(C2([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000182257537 1126869604 /nfs/dbraw/zinc/86/96/04/1126869604.db2.gz QUANUMOAKCYHQM-JKSUJKDBSA-N 2 1 290.838 3.546 20 0 CHADMP C[C@@H](CCc1cccc(F)c1)[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000183356919 1126885947 /nfs/dbraw/zinc/88/59/47/1126885947.db2.gz UODSPOJBOUMOPP-RLFYNMQTSA-N 2 1 292.442 3.561 20 0 CHADMP C[C@@H](CCc1cccc(F)c1)[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000183356919 1126885949 /nfs/dbraw/zinc/88/59/49/1126885949.db2.gz UODSPOJBOUMOPP-RLFYNMQTSA-N 2 1 292.442 3.561 20 0 CHADMP C[C@@H](CCc1cccc(F)c1)[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000183356919 1126885954 /nfs/dbraw/zinc/88/59/54/1126885954.db2.gz UODSPOJBOUMOPP-RLFYNMQTSA-N 2 1 292.442 3.561 20 0 CHADMP C[C@@H](CCc1cccc(F)c1)[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000183356919 1126885957 /nfs/dbraw/zinc/88/59/57/1126885957.db2.gz UODSPOJBOUMOPP-RLFYNMQTSA-N 2 1 292.442 3.561 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCc3occc32)c1 ZINC000192828027 1126964784 /nfs/dbraw/zinc/96/47/84/1126964784.db2.gz PFRSNLRFBWHNOU-GOSISDBHSA-N 2 1 298.430 3.899 20 0 CHADMP Clc1csc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000193138764 1126966741 /nfs/dbraw/zinc/96/67/41/1126966741.db2.gz VMGMENJUVNMNQU-UHFFFAOYSA-N 2 1 298.883 3.898 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(F)c(F)c1 ZINC000266842693 1126988585 /nfs/dbraw/zinc/98/85/85/1126988585.db2.gz HATSOFPASBXBQT-LBPRGKRZSA-N 2 1 294.389 3.632 20 0 CHADMP Cc1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c(C)o1 ZINC000163567488 1126996686 /nfs/dbraw/zinc/99/66/86/1126996686.db2.gz JSHMCPLUXPXBPR-CQSZACIVSA-N 2 1 278.440 3.641 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000269137024 1127035430 /nfs/dbraw/zinc/03/54/30/1127035430.db2.gz UATVRJKGFYKWOJ-OAHLLOKOSA-N 2 1 271.408 3.583 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000269137024 1127035434 /nfs/dbraw/zinc/03/54/34/1127035434.db2.gz UATVRJKGFYKWOJ-OAHLLOKOSA-N 2 1 271.408 3.583 20 0 CHADMP Fc1ccc2c(c1)[C@@H]([N@H+]1CCC[C@@H](c3ncc[nH]3)C1)CCC2 ZINC000270007946 1127049360 /nfs/dbraw/zinc/04/93/60/1127049360.db2.gz KNTSFMPCSFEQGO-PBHICJAKSA-N 2 1 299.393 3.806 20 0 CHADMP C([NH2+]C1CC2(C1)CCCCC2)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668817878 1127052634 /nfs/dbraw/zinc/05/26/34/1127052634.db2.gz BLCPNZIWEUINFR-KRWDZBQOSA-N 2 1 290.495 3.811 20 0 CHADMP CC(C)C[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236565838 1130976688 /nfs/dbraw/zinc/97/66/88/1130976688.db2.gz OTIPZSRRDWUOPL-KOMQPUFPSA-N 2 1 252.446 3.547 20 0 CHADMP C[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000668819030 1127054879 /nfs/dbraw/zinc/05/48/79/1127054879.db2.gz MQPUPVWYRNHLQL-AEFFLSMTSA-N 2 1 286.463 3.502 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000270617919 1127058483 /nfs/dbraw/zinc/05/84/83/1127058483.db2.gz CSJKNNXHOMHDLA-INIZCTEOSA-N 2 1 289.398 3.708 20 0 CHADMP Cc1ccncc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000271463763 1127083398 /nfs/dbraw/zinc/08/33/98/1127083398.db2.gz QCKCUETUVYPKAL-RDJZCZTQSA-N 2 1 289.467 3.553 20 0 CHADMP Cc1ccncc1[C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000271570764 1127092705 /nfs/dbraw/zinc/09/27/05/1127092705.db2.gz PQFHVRUXCQZQPY-MRXNPFEDSA-N 2 1 277.456 3.550 20 0 CHADMP Cc1cc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C2CC2)ccc1F ZINC000271540238 1127090213 /nfs/dbraw/zinc/09/02/13/1127090213.db2.gz QSXOZFJPAXQQGG-RPVQJOFSSA-N 2 1 290.426 3.658 20 0 CHADMP Cc1cc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C2CC2)ccc1F ZINC000271540238 1127090216 /nfs/dbraw/zinc/09/02/16/1127090216.db2.gz QSXOZFJPAXQQGG-RPVQJOFSSA-N 2 1 290.426 3.658 20 0 CHADMP CCCCc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)s1 ZINC001138755453 1129214876 /nfs/dbraw/zinc/21/48/76/1129214876.db2.gz PJONEUJPKURVFM-KRWDZBQOSA-N 2 1 292.492 3.618 20 0 CHADMP CCCCc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)s1 ZINC001138755453 1129214879 /nfs/dbraw/zinc/21/48/79/1129214879.db2.gz PJONEUJPKURVFM-KRWDZBQOSA-N 2 1 292.492 3.618 20 0 CHADMP CCCCc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)s1 ZINC001138755453 1129214880 /nfs/dbraw/zinc/21/48/80/1129214880.db2.gz PJONEUJPKURVFM-KRWDZBQOSA-N 2 1 292.492 3.618 20 0 CHADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cccc2cccnc21 ZINC000349407054 1127149953 /nfs/dbraw/zinc/14/99/53/1127149953.db2.gz MSATTXWHBIVUFQ-UHFFFAOYSA-N 2 1 297.446 3.543 20 0 CHADMP CC[N@H+](CCC[NH+](C)C)Cc1c(C)oc2ccccc21 ZINC000349418360 1127150359 /nfs/dbraw/zinc/15/03/59/1127150359.db2.gz NLVCBUJUGMJNNQ-UHFFFAOYSA-N 2 1 274.408 3.515 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1c(C)oc2ccccc21 ZINC000349418360 1127150362 /nfs/dbraw/zinc/15/03/62/1127150362.db2.gz NLVCBUJUGMJNNQ-UHFFFAOYSA-N 2 1 274.408 3.515 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2CCCc3c(C)ccc(C)c32)CC1 ZINC000349811201 1127162099 /nfs/dbraw/zinc/16/20/99/1127162099.db2.gz GDRMVQSGGUIMDV-GOSISDBHSA-N 2 1 286.463 3.755 20 0 CHADMP CC[C@@H](C[NH2+]C/C(C)=C\c1ccccc1)[NH+]1CCCC1 ZINC000588177633 1127180089 /nfs/dbraw/zinc/18/00/89/1127180089.db2.gz MNNLZKQKMARURU-ZUTYSQTGSA-N 2 1 272.436 3.554 20 0 CHADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000351229143 1127187364 /nfs/dbraw/zinc/18/73/64/1127187364.db2.gz QICBDRILVRYFSV-JKSUJKDBSA-N 2 1 278.440 3.785 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000351229143 1127187365 /nfs/dbraw/zinc/18/73/65/1127187365.db2.gz QICBDRILVRYFSV-JKSUJKDBSA-N 2 1 278.440 3.785 20 0 CHADMP Cc1sccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000351813359 1127209955 /nfs/dbraw/zinc/20/99/55/1127209955.db2.gz QZZFOUCGPNQHND-NVXWUHKLSA-N 2 1 290.476 3.505 20 0 CHADMP Cc1sccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000351813359 1127209958 /nfs/dbraw/zinc/20/99/58/1127209958.db2.gz QZZFOUCGPNQHND-NVXWUHKLSA-N 2 1 290.476 3.505 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc2occc2c1 ZINC000352233381 1127221705 /nfs/dbraw/zinc/22/17/05/1127221705.db2.gz YGOMDISAPZSIAH-HNNXBMFYSA-N 2 1 286.419 3.787 20 0 CHADMP CC[NH+](CC)CCC[NH2+]Cc1cscc1C(F)(F)F ZINC000352842654 1127247158 /nfs/dbraw/zinc/24/71/58/1127247158.db2.gz WQUGWTVYZUWAOW-UHFFFAOYSA-N 2 1 294.386 3.588 20 0 CHADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1cccc(C)c1 ZINC000286176502 1127261549 /nfs/dbraw/zinc/26/15/49/1127261549.db2.gz QQSASIAPEOAHJU-QGZVFWFLSA-N 2 1 271.408 3.631 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)c2ccccc2F)CC1 ZINC000590786144 1127273260 /nfs/dbraw/zinc/27/32/60/1127273260.db2.gz CIYMIKDGOKPVDH-OAHLLOKOSA-N 2 1 292.442 3.939 20 0 CHADMP Cc1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)c(Cl)c1 ZINC000573925516 1127332793 /nfs/dbraw/zinc/33/27/93/1127332793.db2.gz CDQMTZSHFKHCCC-UHFFFAOYSA-N 2 1 280.843 3.612 20 0 CHADMP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000573986260 1127347821 /nfs/dbraw/zinc/34/78/21/1127347821.db2.gz ZIIGZCCBKMNVSX-OQIJWPOYSA-N 2 1 286.463 3.990 20 0 CHADMP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000573986260 1127347827 /nfs/dbraw/zinc/34/78/27/1127347827.db2.gz ZIIGZCCBKMNVSX-OQIJWPOYSA-N 2 1 286.463 3.990 20 0 CHADMP CC[C@@H](C[NH2+][C@@H](C)CCCC(F)(F)F)[NH+]1CCCC1 ZINC000480241385 1127363387 /nfs/dbraw/zinc/36/33/87/1127363387.db2.gz MYTFZLOZVMYBPF-STQMWFEESA-N 2 1 280.378 3.572 20 0 CHADMP CC[N@@H+](CCNc1cc[nH+]c2cc(F)ccc12)C(C)C ZINC000357232813 1127387879 /nfs/dbraw/zinc/38/78/79/1127387879.db2.gz JJCGLCRSFHXYSO-UHFFFAOYSA-N 2 1 275.371 3.516 20 0 CHADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccccc2SC)[C@@H](C)C1 ZINC000358042798 1127398516 /nfs/dbraw/zinc/39/85/16/1127398516.db2.gz CTSYKNNNYCZHIM-GOEBONIOSA-N 2 1 292.492 3.571 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2SC)[C@@H](C)C1 ZINC000358042798 1127398521 /nfs/dbraw/zinc/39/85/21/1127398521.db2.gz CTSYKNNNYCZHIM-GOEBONIOSA-N 2 1 292.492 3.571 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2SC)[C@@H](C)C1 ZINC000358042798 1127398526 /nfs/dbraw/zinc/39/85/26/1127398526.db2.gz CTSYKNNNYCZHIM-GOEBONIOSA-N 2 1 292.492 3.571 20 0 CHADMP CC[N@H+]1CC[C@H](N(C)Cc2ccccc2SC)[C@H](C)C1 ZINC000358042800 1127398779 /nfs/dbraw/zinc/39/87/79/1127398779.db2.gz CTSYKNNNYCZHIM-ZBFHGGJFSA-N 2 1 292.492 3.571 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2SC)[C@H](C)C1 ZINC000358042800 1127398783 /nfs/dbraw/zinc/39/87/83/1127398783.db2.gz CTSYKNNNYCZHIM-ZBFHGGJFSA-N 2 1 292.492 3.571 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2SC)[C@H](C)C1 ZINC000358042800 1127398786 /nfs/dbraw/zinc/39/87/86/1127398786.db2.gz CTSYKNNNYCZHIM-ZBFHGGJFSA-N 2 1 292.492 3.571 20 0 CHADMP CC/C=C\CC[NH+]1CCC(C[N@H+](C)CCCC)CC1 ZINC000466833804 1127435944 /nfs/dbraw/zinc/43/59/44/1127435944.db2.gz HYKNASDHVXKZJW-VURMDHGXSA-N 2 1 266.473 3.787 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1(C)CC1 ZINC000358989449 1127442998 /nfs/dbraw/zinc/44/29/98/1127442998.db2.gz RQZHIQTZTIECGH-WMZOPIPTSA-N 2 1 286.463 3.677 20 0 CHADMP Cc1ccc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)o1 ZINC000359145652 1127450857 /nfs/dbraw/zinc/45/08/57/1127450857.db2.gz QCTDJLYLFZDPLL-UHFFFAOYSA-N 2 1 278.440 3.722 20 0 CHADMP CCc1cnccc1[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000359292215 1127456661 /nfs/dbraw/zinc/45/66/61/1127456661.db2.gz FOPXPGCAHVKHPB-AWEZNQCLSA-N 2 1 289.467 3.558 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+](C)C(C)C)CCCO2 ZINC000359644105 1127471535 /nfs/dbraw/zinc/47/15/35/1127471535.db2.gz ZBISGZXEOHWBJB-QGZVFWFLSA-N 2 1 290.451 3.529 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+](C)C(C)C)CCCO2 ZINC000359644105 1127471537 /nfs/dbraw/zinc/47/15/37/1127471537.db2.gz ZBISGZXEOHWBJB-QGZVFWFLSA-N 2 1 290.451 3.529 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](CC)C1 ZINC001308797988 1127485488 /nfs/dbraw/zinc/48/54/88/1127485488.db2.gz NUJQLYJWBNYYTP-OWCLPIDISA-N 2 1 254.462 3.665 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](CC)C1 ZINC001308797988 1127485489 /nfs/dbraw/zinc/48/54/89/1127485489.db2.gz NUJQLYJWBNYYTP-OWCLPIDISA-N 2 1 254.462 3.665 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC000360233681 1127493394 /nfs/dbraw/zinc/49/33/94/1127493394.db2.gz JHDJXUCXYBQPQT-QFBILLFUSA-N 2 1 286.463 3.776 20 0 CHADMP CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(F)cc1F ZINC000360433837 1127498775 /nfs/dbraw/zinc/49/87/75/1127498775.db2.gz OUQZVPHTUSVWBG-GUYCJALGSA-N 2 1 296.405 3.737 20 0 CHADMP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000361080112 1127536505 /nfs/dbraw/zinc/53/65/05/1127536505.db2.gz NVPNLNYOVZYPQL-SUMWQHHRSA-N 2 1 299.462 3.665 20 0 CHADMP CC1=CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000294159207 1127553471 /nfs/dbraw/zinc/55/34/71/1127553471.db2.gz IMRWDYSYZABDLG-GOSISDBHSA-N 2 1 284.447 3.739 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(C2CC2)c1 ZINC000294564006 1127582979 /nfs/dbraw/zinc/58/29/79/1127582979.db2.gz BNRKQKMMCICLMK-QWQRMKEZSA-N 2 1 272.436 3.697 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(C2CC2)c1 ZINC000294564006 1127582982 /nfs/dbraw/zinc/58/29/82/1127582982.db2.gz BNRKQKMMCICLMK-QWQRMKEZSA-N 2 1 272.436 3.697 20 0 CHADMP Cc1ccc(C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CC2)cc1 ZINC000296047086 1127661086 /nfs/dbraw/zinc/66/10/86/1127661086.db2.gz UWAFYGGFNCCFOH-RAFMOHDBSA-N 2 1 298.474 3.531 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1ccsc1 ZINC000297645667 1127703427 /nfs/dbraw/zinc/70/34/27/1127703427.db2.gz JXTVZHRFDSSKNA-ZBFHGGJFSA-N 2 1 280.481 3.909 20 0 CHADMP CC[N@@H+](CCc1cncn1C)Cc1ccc2ccccc2c1 ZINC000297860889 1127710389 /nfs/dbraw/zinc/71/03/89/1127710389.db2.gz PBTJZXRYBZDQLO-UHFFFAOYSA-N 2 1 293.414 3.638 20 0 CHADMP CC(C[NH+](C)[C@H](C)C(C)C)C[N@H+](C)[C@H](C)C(C)C ZINC000605573496 1127743302 /nfs/dbraw/zinc/74/33/02/1127743302.db2.gz XBHCDFOYXCCHFC-HZPDHXFCSA-N 2 1 256.478 3.575 20 0 CHADMP c1ccc([C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C2CC2)cc1 ZINC000366436939 1127745628 /nfs/dbraw/zinc/74/56/28/1127745628.db2.gz WDHUPWZXCJFHNS-ACBHZAAOSA-N 2 1 284.447 3.744 20 0 CHADMP CC(C)SCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000409446577 1127768670 /nfs/dbraw/zinc/76/86/70/1127768670.db2.gz LDNZRLOSGBKDMO-IAGOWNOFSA-N 2 1 298.540 3.714 20 0 CHADMP CC(C)SCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000409446577 1127768672 /nfs/dbraw/zinc/76/86/72/1127768672.db2.gz LDNZRLOSGBKDMO-IAGOWNOFSA-N 2 1 298.540 3.714 20 0 CHADMP CC(C)SCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000409446577 1127768674 /nfs/dbraw/zinc/76/86/74/1127768674.db2.gz LDNZRLOSGBKDMO-IAGOWNOFSA-N 2 1 298.540 3.714 20 0 CHADMP C[C@@H](c1ccccc1Cl)N1CCC2(CCC[N@H+]2C)CC1 ZINC000371692545 1127775727 /nfs/dbraw/zinc/77/57/27/1127775727.db2.gz KLJSEJWCFKSGFC-AWEZNQCLSA-N 2 1 292.854 3.961 20 0 CHADMP C[C@@H]1CCC[NH+](CCCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000607150442 1127793044 /nfs/dbraw/zinc/79/30/44/1127793044.db2.gz QYDDCMQJQQITTG-IAGOWNOFSA-N 2 1 266.473 3.621 20 0 CHADMP CCCc1ccc(C[NH2+]CCCCn2cc[nH+]c2C)cc1 ZINC000608058603 1127846151 /nfs/dbraw/zinc/84/61/51/1127846151.db2.gz KDRUKBQNFHIHOY-UHFFFAOYSA-N 2 1 285.435 3.714 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000412013202 1127887975 /nfs/dbraw/zinc/88/79/75/1127887975.db2.gz NQGICWDGPCPITH-RBUKOAKNSA-N 2 1 297.446 3.850 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000412013202 1127887980 /nfs/dbraw/zinc/88/79/80/1127887980.db2.gz NQGICWDGPCPITH-RBUKOAKNSA-N 2 1 297.446 3.850 20 0 CHADMP c1cn(CCC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)cn1 ZINC000374570129 1127904547 /nfs/dbraw/zinc/90/45/47/1127904547.db2.gz BAOFMDWRAQFUSS-REPLKXPHSA-N 2 1 295.430 3.684 20 0 CHADMP C[C@H](C1CC1)[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000535466796 1127917268 /nfs/dbraw/zinc/91/72/68/1127917268.db2.gz YWDVCHMQDBWFSG-APWZRJJASA-N 2 1 286.463 3.771 20 0 CHADMP C[C@H](C1CC1)[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000535466796 1127917270 /nfs/dbraw/zinc/91/72/70/1127917270.db2.gz YWDVCHMQDBWFSG-APWZRJJASA-N 2 1 286.463 3.771 20 0 CHADMP C[C@H](C1CC1)[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000535466796 1127917272 /nfs/dbraw/zinc/91/72/72/1127917272.db2.gz YWDVCHMQDBWFSG-APWZRJJASA-N 2 1 286.463 3.771 20 0 CHADMP CCC[C@@H](CC)[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000539495320 1127925273 /nfs/dbraw/zinc/92/52/73/1127925273.db2.gz LTVIAKGNKTZETQ-MRXNPFEDSA-N 2 1 296.499 3.578 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C)c2C)C[C@H]1C ZINC000539817298 1127941729 /nfs/dbraw/zinc/94/17/29/1127941729.db2.gz GZHCXFIHKBICBV-CRAIPNDOSA-N 2 1 274.452 3.608 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C)c2C)C[C@H]1C ZINC000539817298 1127941731 /nfs/dbraw/zinc/94/17/31/1127941731.db2.gz GZHCXFIHKBICBV-CRAIPNDOSA-N 2 1 274.452 3.608 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C)c2C)C[C@H]1C ZINC000539817298 1127941733 /nfs/dbraw/zinc/94/17/33/1127941733.db2.gz GZHCXFIHKBICBV-CRAIPNDOSA-N 2 1 274.452 3.608 20 0 CHADMP c1ccc(C[N@H+]2CCC[C@H]3C[NH+](C4CCCC4)CC[C@H]32)cc1 ZINC000540066160 1127959461 /nfs/dbraw/zinc/95/94/61/1127959461.db2.gz MJHJNIIYBNBTLY-AZUAARDMSA-N 2 1 298.474 3.916 20 0 CHADMP c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C4CCCC4)CC[C@H]32)cc1 ZINC000540066160 1127959465 /nfs/dbraw/zinc/95/94/65/1127959465.db2.gz MJHJNIIYBNBTLY-AZUAARDMSA-N 2 1 298.474 3.916 20 0 CHADMP c1ccc(C[NH+]2CCC[C@H]3C[N@H+](C4CCCC4)CC[C@H]32)cc1 ZINC000540066160 1127959467 /nfs/dbraw/zinc/95/94/67/1127959467.db2.gz MJHJNIIYBNBTLY-AZUAARDMSA-N 2 1 298.474 3.916 20 0 CHADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cc3c(s2)CCC3)CC1 ZINC000540175603 1127965883 /nfs/dbraw/zinc/96/58/83/1127965883.db2.gz IZVSCPAFNPKARL-ZDUSSCGKSA-N 2 1 292.492 3.760 20 0 CHADMP CC[C@@H](C[N@@H+](C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000467516036 1127972442 /nfs/dbraw/zinc/97/24/42/1127972442.db2.gz DRVOHECIYHPADB-KRWDZBQOSA-N 2 1 274.452 3.598 20 0 CHADMP Cc1ccc([C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)C2CCC2)o1 ZINC000544565175 1127977501 /nfs/dbraw/zinc/97/75/01/1127977501.db2.gz JXJWMJCPAXRWTG-SFHVURJKSA-N 2 1 290.451 3.892 20 0 CHADMP CC[C@@H](C)[N@H+](C)CC[NH2+]CC[C@H](C)c1ccccc1 ZINC000300424646 1128001145 /nfs/dbraw/zinc/00/11/45/1128001145.db2.gz YXMYKVDVHAMDMD-JKSUJKDBSA-N 2 1 262.441 3.500 20 0 CHADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]CC[C@H](C)c1ccccc1 ZINC000300424646 1128001150 /nfs/dbraw/zinc/00/11/50/1128001150.db2.gz YXMYKVDVHAMDMD-JKSUJKDBSA-N 2 1 262.441 3.500 20 0 CHADMP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000541347785 1128019160 /nfs/dbraw/zinc/01/91/60/1128019160.db2.gz PDGUCFOZMUBECG-CXAGYDPISA-N 2 1 292.854 3.601 20 0 CHADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000541347785 1128019166 /nfs/dbraw/zinc/01/91/66/1128019166.db2.gz PDGUCFOZMUBECG-CXAGYDPISA-N 2 1 292.854 3.601 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000541347785 1128019171 /nfs/dbraw/zinc/01/91/71/1128019171.db2.gz PDGUCFOZMUBECG-CXAGYDPISA-N 2 1 292.854 3.601 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000541347785 1128019176 /nfs/dbraw/zinc/01/91/76/1128019176.db2.gz PDGUCFOZMUBECG-CXAGYDPISA-N 2 1 292.854 3.601 20 0 CHADMP CCc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000469614904 1128048781 /nfs/dbraw/zinc/04/87/81/1128048781.db2.gz GRDADLRVDXXUKZ-IBGZPJMESA-N 2 1 286.463 3.699 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)Cc2ccsc2)CC1 ZINC000542150292 1128053054 /nfs/dbraw/zinc/05/30/54/1128053054.db2.gz CJJVIJDJKZFLSA-HNNXBMFYSA-N 2 1 294.508 3.731 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000469988637 1128060879 /nfs/dbraw/zinc/06/08/79/1128060879.db2.gz DBNWXIUZBGBTPQ-XYPWUTKMSA-N 2 1 292.854 3.672 20 0 CHADMP CC[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CC[C@H]1c1ccccc1 ZINC000469987952 1128060912 /nfs/dbraw/zinc/06/09/12/1128060912.db2.gz YSHFGZWKSXXYCW-YQVWRLOYSA-N 2 1 286.463 3.502 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C(C)C)C2)[C@@H](C)C1 ZINC000470167242 1128064421 /nfs/dbraw/zinc/06/44/21/1128064421.db2.gz NVGUDXRGVXBQDD-NXOAAHMSSA-N 2 1 266.473 3.521 20 0 CHADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CC[C@@H]1c1ccccc1 ZINC000469987950 1128061158 /nfs/dbraw/zinc/06/11/58/1128061158.db2.gz YSHFGZWKSXXYCW-LMMKCTJWSA-N 2 1 286.463 3.502 20 0 CHADMP CCC[C@H](CC)[N@H+](Cc1ccccc1)C[C@H](C)C[NH3+] ZINC001257250892 1128091875 /nfs/dbraw/zinc/09/18/75/1128091875.db2.gz WTROBMQECBJQHJ-WBVHZDCISA-N 2 1 262.441 3.662 20 0 CHADMP CCC[C@H](CC)[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257253437 1128096900 /nfs/dbraw/zinc/09/69/00/1128096900.db2.gz OQSXWZWQAHQDCK-JYJNAYRXSA-N 2 1 254.462 3.793 20 0 CHADMP CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000924694765 1128109876 /nfs/dbraw/zinc/10/98/76/1128109876.db2.gz GYWFSAALJSSJLU-CVYDXHPNSA-N 2 1 276.468 3.728 20 0 CHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000261992707 1128122356 /nfs/dbraw/zinc/12/23/56/1128122356.db2.gz MRNHSZIKCMPQIX-INMHGKMJSA-N 2 1 290.451 3.613 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000261992707 1128122358 /nfs/dbraw/zinc/12/23/58/1128122358.db2.gz MRNHSZIKCMPQIX-INMHGKMJSA-N 2 1 290.451 3.613 20 0 CHADMP c1ccc([C@H]2C[C@@H]([NH2+]CC[C@@H]3C[C@H]3C3CC3)CC[NH2+]2)cc1 ZINC000925802362 1128142326 /nfs/dbraw/zinc/14/23/26/1128142326.db2.gz MQJNSFJCXXONDY-YDZRNGNQSA-N 2 1 284.447 3.506 20 0 CHADMP FCc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000777588239 1128157508 /nfs/dbraw/zinc/15/75/08/1128157508.db2.gz FTUDAQKPLABEFO-GOSISDBHSA-N 2 1 290.426 3.606 20 0 CHADMP FCc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000777588239 1128157509 /nfs/dbraw/zinc/15/75/09/1128157509.db2.gz FTUDAQKPLABEFO-GOSISDBHSA-N 2 1 290.426 3.606 20 0 CHADMP CC(C)[N@@H+]([C@@H](C)Cc1cccc(F)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168469736 1128196805 /nfs/dbraw/zinc/19/68/05/1128196805.db2.gz UYKXYUPKRAJCGN-WBAXXEDZSA-N 2 1 292.442 3.737 20 0 CHADMP CCC1([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000926508809 1128177172 /nfs/dbraw/zinc/17/71/72/1128177172.db2.gz JODXHSWALFZTFE-AEFFLSMTSA-N 2 1 284.447 3.887 20 0 CHADMP CCC1([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000926508809 1128177173 /nfs/dbraw/zinc/17/71/73/1128177173.db2.gz JODXHSWALFZTFE-AEFFLSMTSA-N 2 1 284.447 3.887 20 0 CHADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc2ccccc2[nH]1 ZINC000926557728 1128180773 /nfs/dbraw/zinc/18/07/73/1128180773.db2.gz DMLUGMIOIQUFDL-AWEZNQCLSA-N 2 1 285.435 3.693 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205110085 1128194498 /nfs/dbraw/zinc/19/44/98/1128194498.db2.gz OHCVUGJTXZJREW-CYBMUJFWSA-N 2 1 274.433 3.523 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+](CCCC(C)(F)F)CC1 ZINC000929298864 1128268636 /nfs/dbraw/zinc/26/86/36/1128268636.db2.gz YPEMZRVOEMWHEU-UHFFFAOYSA-N 2 1 290.442 3.866 20 0 CHADMP CCCC(CCC)[NH+]1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001257340564 1128252160 /nfs/dbraw/zinc/25/21/60/1128252160.db2.gz KGHGRPSMZPBQGD-GOSISDBHSA-N 2 1 296.499 3.530 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H](C)C3CC3)C2)s1 ZINC000930374194 1128316542 /nfs/dbraw/zinc/31/65/42/1128316542.db2.gz RPBJOXWTBJJNOS-HUUCEWRRSA-N 2 1 292.492 3.609 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H](C)C3CC3)C2)s1 ZINC000930374194 1128316548 /nfs/dbraw/zinc/31/65/48/1128316548.db2.gz RPBJOXWTBJJNOS-HUUCEWRRSA-N 2 1 292.492 3.609 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H](C)C3CC3)C2)s1 ZINC000930374194 1128316553 /nfs/dbraw/zinc/31/65/53/1128316553.db2.gz RPBJOXWTBJJNOS-HUUCEWRRSA-N 2 1 292.492 3.609 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H](C)C3CC3)C2)s1 ZINC000930374194 1128316557 /nfs/dbraw/zinc/31/65/57/1128316557.db2.gz RPBJOXWTBJJNOS-HUUCEWRRSA-N 2 1 292.492 3.609 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC[N@H+]1C ZINC000316741944 1128335655 /nfs/dbraw/zinc/33/56/55/1128335655.db2.gz IARUVLWFJKZXKS-LBTNJELSSA-N 2 1 297.446 3.618 20 0 CHADMP CC(F)(F)CCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000930614769 1128327604 /nfs/dbraw/zinc/32/76/04/1128327604.db2.gz IABNJXXBYJFOKK-UHFFFAOYSA-N 2 1 296.405 3.676 20 0 CHADMP C[C@H]1C[C@@H]([N@H+](C)CCCc2ccc(Cl)cc2)CC[NH+]1C ZINC000123362897 1128412537 /nfs/dbraw/zinc/41/25/37/1128412537.db2.gz RQMJKECSLLZTCP-YOEHRIQHSA-N 2 1 294.870 3.687 20 0 CHADMP C[C@H]1C[C@@H]([N@@H+](C)CCCc2ccc(Cl)cc2)CC[NH+]1C ZINC000123362897 1128412539 /nfs/dbraw/zinc/41/25/39/1128412539.db2.gz RQMJKECSLLZTCP-YOEHRIQHSA-N 2 1 294.870 3.687 20 0 CHADMP C/C(=C/c1ccc(Cl)cc1)C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000561576386 1128338438 /nfs/dbraw/zinc/33/84/38/1128338438.db2.gz WMBGFBMSEWRDJD-KAMYIIQDSA-N 2 1 290.838 3.595 20 0 CHADMP CCC[C@@H](C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000561612781 1128340853 /nfs/dbraw/zinc/34/08/53/1128340853.db2.gz QNCPCJPSLXSWOE-MJGOQNOKSA-N 2 1 288.479 3.890 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC001235842164 1128366970 /nfs/dbraw/zinc/36/69/70/1128366970.db2.gz MFBVTKKUCJPGOP-KRWDZBQOSA-N 2 1 294.442 3.703 20 0 CHADMP CC(C)C[N@@H+](CCCC(C)(F)F)CC1CC[NH+](C)CC1 ZINC000931564797 1128370012 /nfs/dbraw/zinc/37/00/12/1128370012.db2.gz ZCYKMUOVSAKKBR-UHFFFAOYSA-N 2 1 290.442 3.722 20 0 CHADMP Cc1ccc(C)c([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000037140850 1128418421 /nfs/dbraw/zinc/41/84/21/1128418421.db2.gz JFNLYYMQPGSVOQ-HNNXBMFYSA-N 2 1 272.436 3.581 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000562017930 1128371529 /nfs/dbraw/zinc/37/15/29/1128371529.db2.gz MGZRLPCUOFTNIO-MVJTYMMSSA-N 2 1 278.484 3.523 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](c2ccc(F)cc2)C(C)(C)C)CC1 ZINC000037119051 1128416681 /nfs/dbraw/zinc/41/66/81/1128416681.db2.gz XZSJHLJMSRMCNN-KRWDZBQOSA-N 2 1 292.442 3.987 20 0 CHADMP CC(C)[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398142811 1128393421 /nfs/dbraw/zinc/39/34/21/1128393421.db2.gz WTDDRBWIQTWICP-ZIFCJYIRSA-N 2 1 288.479 3.779 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1C ZINC000036996669 1128404451 /nfs/dbraw/zinc/40/44/51/1128404451.db2.gz HENHVGIBNBVROP-CGTJXYLNSA-N 2 1 272.436 3.581 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1C ZINC000036996669 1128404454 /nfs/dbraw/zinc/40/44/54/1128404454.db2.gz HENHVGIBNBVROP-CGTJXYLNSA-N 2 1 272.436 3.581 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c(C)c1 ZINC000036996874 1128404619 /nfs/dbraw/zinc/40/46/19/1128404619.db2.gz BDFINFGRKQCJSI-RYQLBKOJSA-N 2 1 272.436 3.581 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c(C)c1 ZINC000036996874 1128404620 /nfs/dbraw/zinc/40/46/20/1128404620.db2.gz BDFINFGRKQCJSI-RYQLBKOJSA-N 2 1 272.436 3.581 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CCCC[C@H]2C)C1 ZINC000562522490 1128408077 /nfs/dbraw/zinc/40/80/77/1128408077.db2.gz GMIRLWPQSWQHHC-VQHPVUNQSA-N 2 1 266.473 3.521 20 0 CHADMP C[C@H]1C[C@@H]([N@@H+](C)CCCc2ccc(Cl)cc2)CCN1C ZINC000123362897 1128412530 /nfs/dbraw/zinc/41/25/30/1128412530.db2.gz RQMJKECSLLZTCP-YOEHRIQHSA-N 2 1 294.870 3.687 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)CCCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000123362897 1128412533 /nfs/dbraw/zinc/41/25/33/1128412533.db2.gz RQMJKECSLLZTCP-YOEHRIQHSA-N 2 1 294.870 3.687 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)CCCc2ccc(Cl)cc2)CC[N@H+]1C ZINC000123362897 1128412535 /nfs/dbraw/zinc/41/25/35/1128412535.db2.gz RQMJKECSLLZTCP-YOEHRIQHSA-N 2 1 294.870 3.687 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC000037644555 1128433528 /nfs/dbraw/zinc/43/35/28/1128433528.db2.gz DPTKTCXLTPRJLI-BHIYHBOVSA-N 2 1 286.463 3.644 20 0 CHADMP CCCC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC000037644532 1128433627 /nfs/dbraw/zinc/43/36/27/1128433627.db2.gz SPHLVLSVLSPXGS-SJLPKXTDSA-N 2 1 274.452 3.849 20 0 CHADMP C[N@@H+](CCCNCc1ccc(F)c(F)c1)C1CCCCC1 ZINC000037860294 1128436636 /nfs/dbraw/zinc/43/66/36/1128436636.db2.gz HZSWQDOSOVGUHZ-UHFFFAOYSA-N 2 1 296.405 3.709 20 0 CHADMP C[N@H+](CCC[NH2+]Cc1ccc(F)c(F)c1)C1CCCCC1 ZINC000037860294 1128436638 /nfs/dbraw/zinc/43/66/38/1128436638.db2.gz HZSWQDOSOVGUHZ-UHFFFAOYSA-N 2 1 296.405 3.709 20 0 CHADMP C[N@@H+](CCC[NH2+]Cc1ccc(F)c(F)c1)C1CCCCC1 ZINC000037860294 1128436639 /nfs/dbraw/zinc/43/66/39/1128436639.db2.gz HZSWQDOSOVGUHZ-UHFFFAOYSA-N 2 1 296.405 3.709 20 0 CHADMP C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1Cl)C[NH+]1CCCC1 ZINC000062078726 1128437355 /nfs/dbraw/zinc/43/73/55/1128437355.db2.gz NPWQLMSXTMUCHP-OLZOCXBDSA-N 2 1 298.833 3.862 20 0 CHADMP C[C@H](CC[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000562943499 1128441979 /nfs/dbraw/zinc/44/19/79/1128441979.db2.gz ZKEALHAACDBORO-SJLPKXTDSA-N 2 1 286.463 3.787 20 0 CHADMP C[C@H](CC[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000562943499 1128441983 /nfs/dbraw/zinc/44/19/83/1128441983.db2.gz ZKEALHAACDBORO-SJLPKXTDSA-N 2 1 286.463 3.787 20 0 CHADMP c1ccc(C[C@@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)cc1 ZINC000124819765 1128446592 /nfs/dbraw/zinc/44/65/92/1128446592.db2.gz RIXZXMLNPMKVQB-IBGZPJMESA-N 2 1 286.463 3.570 20 0 CHADMP CCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000563119645 1128449902 /nfs/dbraw/zinc/44/99/02/1128449902.db2.gz BEBBRTDVHLNYIM-GOSISDBHSA-N 2 1 298.474 3.963 20 0 CHADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000563119645 1128449903 /nfs/dbraw/zinc/44/99/03/1128449903.db2.gz BEBBRTDVHLNYIM-GOSISDBHSA-N 2 1 298.474 3.963 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]C(C)(C)CC(C)(C)C ZINC000125501203 1128450315 /nfs/dbraw/zinc/45/03/15/1128450315.db2.gz ZPRHNUFZPXLKQK-UHFFFAOYSA-N 2 1 265.445 3.776 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000563121601 1128451061 /nfs/dbraw/zinc/45/10/61/1128451061.db2.gz RZBMJQCOAPJXQX-MAUKXSAKSA-N 2 1 284.447 3.572 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000563121601 1128451063 /nfs/dbraw/zinc/45/10/63/1128451063.db2.gz RZBMJQCOAPJXQX-MAUKXSAKSA-N 2 1 284.447 3.572 20 0 CHADMP C[N@H+](CCC[NH2+]Cc1cc(F)cc(F)c1)C1CCCCC1 ZINC000125600984 1128451170 /nfs/dbraw/zinc/45/11/70/1128451170.db2.gz BXHKLSYMQLCIDK-UHFFFAOYSA-N 2 1 296.405 3.709 20 0 CHADMP C[N@@H+](CCC[NH2+]Cc1cc(F)cc(F)c1)C1CCCCC1 ZINC000125600984 1128451171 /nfs/dbraw/zinc/45/11/71/1128451171.db2.gz BXHKLSYMQLCIDK-UHFFFAOYSA-N 2 1 296.405 3.709 20 0 CHADMP CCC[C@H](C)CC[C@@H](C)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001257468850 1128464274 /nfs/dbraw/zinc/46/42/74/1128464274.db2.gz RCBQQVKSVBEVEC-QRNKSROTSA-N 2 1 254.462 3.793 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000126731899 1128466270 /nfs/dbraw/zinc/46/62/70/1128466270.db2.gz UGEAZMBLOCARSM-VKJFTORMSA-N 2 1 272.436 3.556 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](c1ccccc1)C(C)C ZINC000127354737 1128476316 /nfs/dbraw/zinc/47/63/16/1128476316.db2.gz UMOVEQFLXULYMM-GOSISDBHSA-N 2 1 285.435 3.911 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](c1ccccc1)C(C)C ZINC000127354737 1128476317 /nfs/dbraw/zinc/47/63/17/1128476317.db2.gz UMOVEQFLXULYMM-GOSISDBHSA-N 2 1 285.435 3.911 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC2(CCCCC2)C1 ZINC000127353549 1128476410 /nfs/dbraw/zinc/47/64/10/1128476410.db2.gz HVAXPYGRYFZTIS-UHFFFAOYSA-N 2 1 275.440 3.628 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC2(CCCCC2)C1 ZINC000127353549 1128476411 /nfs/dbraw/zinc/47/64/11/1128476411.db2.gz HVAXPYGRYFZTIS-UHFFFAOYSA-N 2 1 275.440 3.628 20 0 CHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CC[C@H](F)C1 ZINC000563770432 1128477686 /nfs/dbraw/zinc/47/76/86/1128477686.db2.gz PPOCPMJTSQOMDA-DLBZAZTESA-N 2 1 292.442 3.625 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2CC(C)(C)CC(C)(C)C2)CC[N@@H+]1C ZINC000127857948 1128483361 /nfs/dbraw/zinc/48/33/61/1128483361.db2.gz ZDOGIEIBMDWUOF-UONOGXRCSA-N 2 1 266.473 3.664 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2CC(C)(C)CC(C)(C)C2)CC[N@H+]1C ZINC000127857948 1128483363 /nfs/dbraw/zinc/48/33/63/1128483363.db2.gz ZDOGIEIBMDWUOF-UONOGXRCSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)c1ccc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000127941740 1128484122 /nfs/dbraw/zinc/48/41/22/1128484122.db2.gz DZEBOQBUVSQOGI-VQIMIIECSA-N 2 1 288.479 3.815 20 0 CHADMP CCC1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000564231690 1128499763 /nfs/dbraw/zinc/49/97/63/1128499763.db2.gz FTYBOFILGDTZSU-JCJXWUGKSA-N 2 1 286.463 3.818 20 0 CHADMP CCC1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000564231690 1128499764 /nfs/dbraw/zinc/49/97/64/1128499764.db2.gz FTYBOFILGDTZSU-JCJXWUGKSA-N 2 1 286.463 3.818 20 0 CHADMP [NH3+]C[C@H]1CCC[N@@H+](CC2CCC(c3ccccc3)CC2)C1 ZINC000564968974 1128517848 /nfs/dbraw/zinc/51/78/48/1128517848.db2.gz NNYWDLFYMPTURL-TVRKMHQQSA-N 2 1 286.463 3.631 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000556076220 1128544631 /nfs/dbraw/zinc/54/46/31/1128544631.db2.gz LIYRRDRCNBCCML-SJORKVTESA-N 2 1 278.484 3.809 20 0 CHADMP CCCC[C@H](C)[C@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000566525303 1128545456 /nfs/dbraw/zinc/54/54/56/1128545456.db2.gz LRENMDKWOHGARE-IRXDYDNUSA-N 2 1 298.515 3.680 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C)cc1 ZINC000129632142 1128546630 /nfs/dbraw/zinc/54/66/30/1128546630.db2.gz MMZSTQMJWWLDQV-PVAVHDDUSA-N 2 1 260.425 3.518 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C)cc1 ZINC000129632142 1128546633 /nfs/dbraw/zinc/54/66/33/1128546633.db2.gz MMZSTQMJWWLDQV-PVAVHDDUSA-N 2 1 260.425 3.518 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1ccc(Cl)cc1 ZINC000129679036 1128548680 /nfs/dbraw/zinc/54/86/80/1128548680.db2.gz DHSMLWMEIOYKJL-CJNGLKHVSA-N 2 1 294.870 3.547 20 0 CHADMP c1cc([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)cs1 ZINC000567359018 1128563385 /nfs/dbraw/zinc/56/33/85/1128563385.db2.gz FZUZVRFDWCQUAV-GOSISDBHSA-N 2 1 298.455 3.731 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000567634105 1128568894 /nfs/dbraw/zinc/56/88/94/1128568894.db2.gz JSOGDFPQECSZOH-OAHLLOKOSA-N 2 1 292.442 3.939 20 0 CHADMP CCCc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000567712586 1128570298 /nfs/dbraw/zinc/57/02/98/1128570298.db2.gz DHKXMTQAVPAFJR-LJQANCHMSA-N 2 1 286.463 3.557 20 0 CHADMP CCCc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000567712586 1128570301 /nfs/dbraw/zinc/57/03/01/1128570301.db2.gz DHKXMTQAVPAFJR-LJQANCHMSA-N 2 1 286.463 3.557 20 0 CHADMP CCCc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000567712586 1128570304 /nfs/dbraw/zinc/57/03/04/1128570304.db2.gz DHKXMTQAVPAFJR-LJQANCHMSA-N 2 1 286.463 3.557 20 0 CHADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCCc1cccc2ccccc21 ZINC000568162213 1128578444 /nfs/dbraw/zinc/57/84/44/1128578444.db2.gz RCNPFUPCXVOFCL-CRAIPNDOSA-N 2 1 282.431 3.584 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000568548020 1128586669 /nfs/dbraw/zinc/58/66/69/1128586669.db2.gz ZGZHVICOCCIPTD-YGWPLHOASA-N 2 1 298.474 3.675 20 0 CHADMP C[C@@H]1C[C@@H](N[C@@H]2C[C@H](C)Sc3sccc32)CC[N@H+]1C ZINC000130602629 1128589168 /nfs/dbraw/zinc/58/91/68/1128589168.db2.gz ALAWLRDDXMDGNT-OWTLIXCDSA-N 2 1 296.505 3.746 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H](C)Sc3sccc32)CCN1C ZINC000130602629 1128589172 /nfs/dbraw/zinc/58/91/72/1128589172.db2.gz ALAWLRDDXMDGNT-OWTLIXCDSA-N 2 1 296.505 3.746 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)CCCc2ccc(Cl)cc2)CC1 ZINC001236213306 1128615982 /nfs/dbraw/zinc/61/59/82/1128615982.db2.gz NWBGGPKASZECIO-UHFFFAOYSA-N 2 1 294.870 3.735 20 0 CHADMP Cc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)ccc1Cl ZINC000569859529 1128610782 /nfs/dbraw/zinc/61/07/82/1128610782.db2.gz WFMYUYWMZIDEEA-WBVHZDCISA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)ccc1Cl ZINC000569859529 1128610783 /nfs/dbraw/zinc/61/07/83/1128610783.db2.gz WFMYUYWMZIDEEA-WBVHZDCISA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)ccc1Cl ZINC000569859529 1128610784 /nfs/dbraw/zinc/61/07/84/1128610784.db2.gz WFMYUYWMZIDEEA-WBVHZDCISA-N 2 1 292.854 3.565 20 0 CHADMP C([C@@H]1CCC[N@H+](C2CCCC2)C1)[NH+]1CCCCCC1 ZINC000131478285 1128622521 /nfs/dbraw/zinc/62/25/21/1128622521.db2.gz NKLRLNRTVBHAGL-INIZCTEOSA-N 2 1 264.457 3.517 20 0 CHADMP CC(C)[C@H]1CC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000556866152 1128631300 /nfs/dbraw/zinc/63/13/00/1128631300.db2.gz XFMSGHGQVLHMNM-RTBURBONSA-N 2 1 286.463 3.675 20 0 CHADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000556859680 1128631085 /nfs/dbraw/zinc/63/10/85/1128631085.db2.gz WLKLJRXUWIFISN-IKGGRYGDSA-N 2 1 266.473 3.523 20 0 CHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000556890252 1128636303 /nfs/dbraw/zinc/63/63/03/1128636303.db2.gz VPYOLFIHFYAQCN-GUYCJALGSA-N 2 1 292.854 3.649 20 0 CHADMP CC[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](CC(C)C)CC1 ZINC001258016066 1128673132 /nfs/dbraw/zinc/67/31/32/1128673132.db2.gz ADDUCPVFZSUCFQ-UHFFFAOYSA-N 2 1 292.442 3.768 20 0 CHADMP CCC[C@H](C[N@@H+](C)CCCn1ccnc1)c1ccccc1 ZINC000577782845 1128689297 /nfs/dbraw/zinc/68/92/97/1128689297.db2.gz PBCSUCNMSHZPON-GOSISDBHSA-N 2 1 285.435 3.789 20 0 CHADMP CC[C@H]([NH2+]CCCc1c[nH+]cn1C)c1cccc(Cl)c1 ZINC000578202413 1128711621 /nfs/dbraw/zinc/71/16/21/1128711621.db2.gz KUXBCURVMPLFNF-INIZCTEOSA-N 2 1 291.826 3.747 20 0 CHADMP CC(C)[C@@H]1CC[C@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000578918584 1128732618 /nfs/dbraw/zinc/73/26/18/1128732618.db2.gz JQXSPCQNFSUIEN-ZWKOTPCHSA-N 2 1 274.452 3.533 20 0 CHADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402806320 1117775252 /nfs/dbraw/zinc/77/52/52/1117775252.db2.gz AANORPLJJNMJHP-RBOXIYTFSA-N 2 1 296.817 3.601 20 0 CHADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402806320 1117775256 /nfs/dbraw/zinc/77/52/56/1117775256.db2.gz AANORPLJJNMJHP-RBOXIYTFSA-N 2 1 296.817 3.601 20 0 CHADMP CC(C)[N@@H+](Cc1ccccc1C1CC1)C1CCN(C)CC1 ZINC001139884074 1117776054 /nfs/dbraw/zinc/77/60/54/1117776054.db2.gz UIKAJUGDGIOWJT-UHFFFAOYSA-N 2 1 286.463 3.869 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cc2ccccc2o1 ZINC000643545736 1117791421 /nfs/dbraw/zinc/79/14/21/1117791421.db2.gz BJGYJYFKNRWVMC-DZGCQCFKSA-N 2 1 284.403 3.758 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccoc2)cc1 ZINC000175717668 1117814482 /nfs/dbraw/zinc/81/44/82/1117814482.db2.gz LCYQJMITVRWRIB-ZDUSSCGKSA-N 2 1 281.359 3.625 20 0 CHADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001206767588 1117819298 /nfs/dbraw/zinc/81/92/98/1117819298.db2.gz CCTPNOYAXJPDSU-ZBFHGGJFSA-N 2 1 274.452 3.543 20 0 CHADMP CCCC[C@@H](CC)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623336782 1117834689 /nfs/dbraw/zinc/83/46/89/1117834689.db2.gz DYAKWZYVTLYHSD-CABCVRRESA-N 2 1 254.462 3.665 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+][C@H](c2ccccc2)C2CC2)CC1(C)C ZINC000623344913 1117836575 /nfs/dbraw/zinc/83/65/75/1117836575.db2.gz IFWAWAZDODBSLU-IAGOWNOFSA-N 2 1 272.436 3.600 20 0 CHADMP CCCCc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1 ZINC001206769383 1117842620 /nfs/dbraw/zinc/84/26/20/1117842620.db2.gz OXNNFGIHVSDIRQ-YJBOKZPZSA-N 2 1 274.452 3.588 20 0 CHADMP C[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623387781 1117848585 /nfs/dbraw/zinc/84/85/85/1117848585.db2.gz VSBFYFZERNZKSV-NVXWUHKLSA-N 2 1 274.452 3.643 20 0 CHADMP Cc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623420762 1117853687 /nfs/dbraw/zinc/85/36/87/1117853687.db2.gz OAFPVPHEILUIIJ-CQSZACIVSA-N 2 1 286.419 3.704 20 0 CHADMP Cc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623420762 1117853694 /nfs/dbraw/zinc/85/36/94/1117853694.db2.gz OAFPVPHEILUIIJ-CQSZACIVSA-N 2 1 286.419 3.704 20 0 CHADMP Cc1ccc([C@@H](C)C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623426270 1117854550 /nfs/dbraw/zinc/85/45/50/1117854550.db2.gz HOHYYWSPEXSMRX-DOTOQJQBSA-N 2 1 274.452 3.561 20 0 CHADMP CSc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623445539 1117858001 /nfs/dbraw/zinc/85/80/01/1117858001.db2.gz VPBOOWZXPHDOFL-HNNXBMFYSA-N 2 1 292.492 3.679 20 0 CHADMP CSc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623445539 1117858008 /nfs/dbraw/zinc/85/80/08/1117858008.db2.gz VPBOOWZXPHDOFL-HNNXBMFYSA-N 2 1 292.492 3.679 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCc3ccccc32)CC1(C)C ZINC000623534955 1117868544 /nfs/dbraw/zinc/86/85/44/1117868544.db2.gz GLCBLDBLSCPLET-IRXDYDNUSA-N 2 1 286.463 3.569 20 0 CHADMP Cc1ccccc1C1([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCC1 ZINC000623559235 1117871456 /nfs/dbraw/zinc/87/14/56/1117871456.db2.gz WTHIZPASVBHEBZ-MRXNPFEDSA-N 2 1 286.463 3.837 20 0 CHADMP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623563069 1117873342 /nfs/dbraw/zinc/87/33/42/1117873342.db2.gz MQKOHFFAOIGPTD-WMLDXEAASA-N 2 1 292.442 3.528 20 0 CHADMP CC[C@@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623624085 1117879918 /nfs/dbraw/zinc/87/99/18/1117879918.db2.gz RMGOITNZZHOCSE-ZWKOTPCHSA-N 2 1 288.479 3.860 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000178025579 1117884147 /nfs/dbraw/zinc/88/41/47/1117884147.db2.gz IZILCNJLZCSCCV-JXXFODFXSA-N 2 1 296.458 3.701 20 0 CHADMP CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)C1CCCCC1 ZINC000178707789 1117895638 /nfs/dbraw/zinc/89/56/38/1117895638.db2.gz LNUMLWAUZFCTIX-YOEHRIQHSA-N 2 1 277.456 3.776 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCCC34CC4)CC2)cc1 ZINC000623825102 1117942027 /nfs/dbraw/zinc/94/20/27/1117942027.db2.gz WVJFBCUACMBUQN-GOSISDBHSA-N 2 1 298.474 3.821 20 0 CHADMP Cc1csc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)n1 ZINC000623864237 1117945966 /nfs/dbraw/zinc/94/59/66/1117945966.db2.gz JQYIOOAFDUFJAK-UKRRQHHQSA-N 2 1 295.496 3.614 20 0 CHADMP CCC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cc(C)sc1C ZINC000623853775 1117947378 /nfs/dbraw/zinc/94/73/78/1117947378.db2.gz HJVMPNCJMKYYFF-MRXNPFEDSA-N 2 1 280.481 3.890 20 0 CHADMP CC[C@H](CCc1ccccc1)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000623886486 1117952182 /nfs/dbraw/zinc/95/21/82/1117952182.db2.gz BITBFBIKFGEVJD-QFBILLFUSA-N 2 1 299.462 3.829 20 0 CHADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(C)ccc1C ZINC000623995612 1117966813 /nfs/dbraw/zinc/96/68/13/1117966813.db2.gz CHDBQHLOVBOBGA-RGPMPMONSA-N 2 1 286.463 3.969 20 0 CHADMP CC(C)[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000624121932 1117984514 /nfs/dbraw/zinc/98/45/14/1117984514.db2.gz GGPKTOFOVJGJQC-AEFFLSMTSA-N 2 1 274.452 3.705 20 0 CHADMP C[C@H](CCC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624123959 1117985321 /nfs/dbraw/zinc/98/53/21/1117985321.db2.gz UTJJDTVWQWYLBJ-CABCVRRESA-N 2 1 254.462 3.523 20 0 CHADMP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624123499 1117987431 /nfs/dbraw/zinc/98/74/31/1117987431.db2.gz NFQJPMOUDYVKSA-ARFHVFGLSA-N 2 1 254.462 3.523 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(F)c1 ZINC000624123740 1117987357 /nfs/dbraw/zinc/98/73/57/1117987357.db2.gz RVKLLIKBYSUEIZ-RHSMWYFYSA-N 2 1 278.415 3.598 20 0 CHADMP Cc1c(C)c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)ccc1Cl ZINC001206809398 1117996635 /nfs/dbraw/zinc/99/66/35/1117996635.db2.gz LPHOAUASKLQHQJ-SMDDNHRTSA-N 2 1 280.843 3.516 20 0 CHADMP C[C@H]([NH2+]CCC[NH+](C)C)c1cc2cc(Cl)ccc2o1 ZINC000181392933 1117998473 /nfs/dbraw/zinc/99/84/73/1117998473.db2.gz UUIDBCLAXUOUAF-NSHDSACASA-N 2 1 280.799 3.689 20 0 CHADMP Cc1ccc(C)c([C@H]2CCC[N@H+]2CCCn2ccnc2)c1 ZINC000182860756 1118031513 /nfs/dbraw/zinc/03/15/13/1118031513.db2.gz SIOJFVTWMZRRQR-GOSISDBHSA-N 2 1 283.419 3.727 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cccc(Cl)c1 ZINC000037644051 1118033208 /nfs/dbraw/zinc/03/32/08/1118033208.db2.gz VMJWEHDTNXYKHC-BBRMVZONSA-N 2 1 280.843 3.723 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@H](c2ncccc2C)C(C)C)CC1 ZINC000120447862 1118048493 /nfs/dbraw/zinc/04/84/93/1118048493.db2.gz LCWKGLFYVULLJK-KRWDZBQOSA-N 2 1 289.467 3.551 20 0 CHADMP C[C@@H](CSC(C)(C)C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000764635103 1118103926 /nfs/dbraw/zinc/10/39/26/1118103926.db2.gz ISWJGYKHSRJVET-LSDHHAIUSA-N 2 1 286.529 3.761 20 0 CHADMP CC1CCC([NH2+]CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000236687633 1118111691 /nfs/dbraw/zinc/11/16/91/1118111691.db2.gz WBWNQMSHKMXIEL-AQFXKWCLSA-N 2 1 266.473 3.809 20 0 CHADMP CSCCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340245276 1118121751 /nfs/dbraw/zinc/12/17/51/1118121751.db2.gz RFUJPXCWKFBTGB-DLBZAZTESA-N 2 1 292.492 3.555 20 0 CHADMP CSCCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340245276 1118121753 /nfs/dbraw/zinc/12/17/53/1118121753.db2.gz RFUJPXCWKFBTGB-DLBZAZTESA-N 2 1 292.492 3.555 20 0 CHADMP C[N@H+](CC1(C)CCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000340284247 1118131256 /nfs/dbraw/zinc/13/12/56/1118131256.db2.gz MBWDMPFVPASNCA-UHFFFAOYSA-N 2 1 286.463 3.773 20 0 CHADMP C[N@@H+](CC1(C)CCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000340284247 1118131261 /nfs/dbraw/zinc/13/12/61/1118131261.db2.gz MBWDMPFVPASNCA-UHFFFAOYSA-N 2 1 286.463 3.773 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCC=CO2)cc1 ZINC000188581258 1128763234 /nfs/dbraw/zinc/76/32/34/1128763234.db2.gz XFBHZQNVKMQPAL-KDOFPFPSSA-N 2 1 297.402 3.524 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CCC(C)(C)CC2)C1 ZINC001648814932 1118223897 /nfs/dbraw/zinc/22/38/97/1118223897.db2.gz VJSXCSHNLDLDGD-IYBDPMFKSA-N 2 1 280.500 3.913 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C/C=C\c2ccccc2)C1 ZINC001648816575 1118228566 /nfs/dbraw/zinc/22/85/66/1118228566.db2.gz AFLWQDWQVOWGOA-RYKGSNAESA-N 2 1 286.463 3.802 20 0 CHADMP C[C@@H](F)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000340458000 1118262406 /nfs/dbraw/zinc/26/24/06/1118262406.db2.gz FPCILAVFDJCDQC-CCNLRDMRSA-N 2 1 290.426 3.520 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)CCc1ccsc1 ZINC000580017028 1118303904 /nfs/dbraw/zinc/30/39/04/1118303904.db2.gz LMOJSKURQPODFS-GJZGRUSLSA-N 2 1 282.497 3.779 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)CCc1ccsc1 ZINC000580017028 1118303908 /nfs/dbraw/zinc/30/39/08/1118303908.db2.gz LMOJSKURQPODFS-GJZGRUSLSA-N 2 1 282.497 3.779 20 0 CHADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C(C)C ZINC001279435549 1118330559 /nfs/dbraw/zinc/33/05/59/1118330559.db2.gz JUQCCZHZGNYNNC-ALOPSCKCSA-N 2 1 272.436 3.525 20 0 CHADMP CCC[C@@H](C[N@@H+](C)C1CCC([NH3+])CC1)c1ccccc1 ZINC000843055430 1118341879 /nfs/dbraw/zinc/34/18/79/1118341879.db2.gz BXPDYIHUZJORAO-AOCRQIFASA-N 2 1 274.452 3.772 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc(Cl)c1Cl ZINC000069754244 1118370883 /nfs/dbraw/zinc/37/08/83/1118370883.db2.gz NWDNOOQJLWBRTC-UHFFFAOYSA-N 2 1 298.217 3.678 20 0 CHADMP Cc1ccc2oc(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)cc2c1 ZINC000580097457 1118379195 /nfs/dbraw/zinc/37/91/95/1118379195.db2.gz NQONCMHRADDPNI-JJRVBVJISA-N 2 1 286.419 3.560 20 0 CHADMP Cc1ccc2oc(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)cc2c1 ZINC000580097457 1118379197 /nfs/dbraw/zinc/37/91/97/1118379197.db2.gz NQONCMHRADDPNI-JJRVBVJISA-N 2 1 286.419 3.560 20 0 CHADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC000261958183 1118384016 /nfs/dbraw/zinc/38/40/16/1118384016.db2.gz OGWHCHYOWQSTPB-KRWDZBQOSA-N 2 1 296.414 3.520 20 0 CHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC000261958183 1118384020 /nfs/dbraw/zinc/38/40/20/1118384020.db2.gz OGWHCHYOWQSTPB-KRWDZBQOSA-N 2 1 296.414 3.520 20 0 CHADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000113512996 1118405619 /nfs/dbraw/zinc/40/56/19/1118405619.db2.gz RGGIWJQRLQLLTE-GOSISDBHSA-N 2 1 294.442 3.737 20 0 CHADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000113512994 1118405709 /nfs/dbraw/zinc/40/57/09/1118405709.db2.gz RGGIWJQRLQLLTE-SFHVURJKSA-N 2 1 294.442 3.737 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683925302 1118444788 /nfs/dbraw/zinc/44/47/88/1118444788.db2.gz AOMHFNIJZKXUML-HNNXBMFYSA-N 2 1 285.435 3.522 20 0 CHADMP CCCc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000621718084 1118540554 /nfs/dbraw/zinc/54/05/54/1118540554.db2.gz YEHWQEWLTNEQGW-HNNXBMFYSA-N 2 1 292.492 3.618 20 0 CHADMP CCCc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000621718084 1118540555 /nfs/dbraw/zinc/54/05/55/1118540555.db2.gz YEHWQEWLTNEQGW-HNNXBMFYSA-N 2 1 292.492 3.618 20 0 CHADMP Clc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000656786260 1118657006 /nfs/dbraw/zinc/65/70/06/1118657006.db2.gz QZIBQJZNIPLFNU-CYBMUJFWSA-N 2 1 298.883 3.613 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000723617953 1118670055 /nfs/dbraw/zinc/67/00/55/1118670055.db2.gz BEFQVRDZVZAYJI-BRWVUGGUSA-N 2 1 275.440 3.530 20 0 CHADMP CCCc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000684425719 1118701191 /nfs/dbraw/zinc/70/11/91/1118701191.db2.gz LPRINFAXZWQMHW-UHFFFAOYSA-N 2 1 286.463 3.746 20 0 CHADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723691314 1118707892 /nfs/dbraw/zinc/70/78/92/1118707892.db2.gz MAGBJFWOEOBRSY-WDEREUQCSA-N 2 1 287.234 3.725 20 0 CHADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000430669649 1118722968 /nfs/dbraw/zinc/72/29/68/1118722968.db2.gz UFYRZQVMCWBDAM-KRWDZBQOSA-N 2 1 296.458 3.704 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)CC[C@H]2CC)C1 ZINC000430732715 1118765056 /nfs/dbraw/zinc/76/50/56/1118765056.db2.gz PYEXRVFNFFGMPE-YLFCFFPRSA-N 2 1 266.473 3.523 20 0 CHADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000430722598 1118765455 /nfs/dbraw/zinc/76/54/55/1118765455.db2.gz QRTDRHYQPMWSCY-BSDSXHPESA-N 2 1 280.500 3.911 20 0 CHADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC001648913645 1118770133 /nfs/dbraw/zinc/77/01/33/1118770133.db2.gz BXCMHHMSFGIKKZ-TWMKSMIVSA-N 2 1 280.500 3.911 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000510675962 1118786467 /nfs/dbraw/zinc/78/64/67/1118786467.db2.gz RIQMOOUYJYUFHF-NXHRZFHOSA-N 2 1 278.484 3.667 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000510688496 1118787050 /nfs/dbraw/zinc/78/70/50/1118787050.db2.gz QZHKOJRBAJCVSH-AWEZNQCLSA-N 2 1 298.421 3.606 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000510688497 1118787221 /nfs/dbraw/zinc/78/72/21/1118787221.db2.gz QZHKOJRBAJCVSH-CQSZACIVSA-N 2 1 298.421 3.606 20 0 CHADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@H]1CC[C@@H]1C1CCC1)C2 ZINC000510736962 1118806490 /nfs/dbraw/zinc/80/64/90/1118806490.db2.gz QOSAPOVLURUGBB-UXHICEINSA-N 2 1 298.474 3.603 20 0 CHADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@H]1CC[C@@H]1C1CCC1)C2 ZINC000510736962 1118806494 /nfs/dbraw/zinc/80/64/94/1118806494.db2.gz QOSAPOVLURUGBB-UXHICEINSA-N 2 1 298.474 3.603 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1=CCCC1 ZINC000401182891 1118808627 /nfs/dbraw/zinc/80/86/27/1118808627.db2.gz VWZSNKOQCQGDDG-APWZRJJASA-N 2 1 284.447 3.597 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510947026 1118872361 /nfs/dbraw/zinc/87/23/61/1118872361.db2.gz XKHIRBKSUXYQQZ-RGIVZKHGSA-N 2 1 290.495 3.808 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000535812000 1118889341 /nfs/dbraw/zinc/88/93/41/1118889341.db2.gz ZUCXONBNVBHKQA-UHFFFAOYSA-N 2 1 299.462 3.720 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](Cc1ccc(C)cc1)C(C)C ZINC000510993507 1118922136 /nfs/dbraw/zinc/92/21/36/1118922136.db2.gz DXQBCRQWQHWKKW-IBGZPJMESA-N 2 1 299.462 3.747 20 0 CHADMP C1CC([C@@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C2CCCC2)C1 ZINC000647235527 1118957057 /nfs/dbraw/zinc/95/70/57/1118957057.db2.gz KXQOAPUVGQRXSG-KSZLIROESA-N 2 1 276.468 3.562 20 0 CHADMP CCC[N@@H+](CCCF)C1CCN(Cc2ccccc2)CC1 ZINC000934190073 1118959943 /nfs/dbraw/zinc/95/99/43/1118959943.db2.gz WBSJRWOVPBDNPB-UHFFFAOYSA-N 2 1 292.442 3.723 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CC(C)(C)c1ccccc1 ZINC000511054757 1118986444 /nfs/dbraw/zinc/98/64/44/1118986444.db2.gz QDFIKQDMDSZODV-MRXNPFEDSA-N 2 1 299.462 3.928 20 0 CHADMP C1CC(C2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)C1 ZINC000657313320 1118987745 /nfs/dbraw/zinc/98/77/45/1118987745.db2.gz IWDKUPYMMVWWCB-OPQOLIRYSA-N 2 1 276.468 3.562 20 0 CHADMP CC[C@@H]1CCC[C@H]([NH2+]CCCCn2cc[nH+]c2C)CC1 ZINC000657374442 1119040505 /nfs/dbraw/zinc/04/05/05/1119040505.db2.gz LFDKKSJTEQQWAH-SJORKVTESA-N 2 1 277.456 3.920 20 0 CHADMP Cc1nccn1CC[N@H+]1CCC[C@H]1c1cccc(C)c1C ZINC000342602708 1119099197 /nfs/dbraw/zinc/09/91/97/1119099197.db2.gz AYTZHYYINIOBOE-SFHVURJKSA-N 2 1 283.419 3.645 20 0 CHADMP FC1(F)CCC([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000657677935 1119240867 /nfs/dbraw/zinc/24/08/67/1119240867.db2.gz JWMHDNOGOHXHLD-CQSZACIVSA-N 2 1 286.410 3.561 20 0 CHADMP FC1(F)CCC([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000657677935 1119240870 /nfs/dbraw/zinc/24/08/70/1119240870.db2.gz JWMHDNOGOHXHLD-CQSZACIVSA-N 2 1 286.410 3.561 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000124817622 1119321486 /nfs/dbraw/zinc/32/14/86/1119321486.db2.gz AATLCUVJJCBYPK-GFCCVEGCSA-N 2 1 293.361 3.553 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000124817622 1119321489 /nfs/dbraw/zinc/32/14/89/1119321489.db2.gz AATLCUVJJCBYPK-GFCCVEGCSA-N 2 1 293.361 3.553 20 0 CHADMP C[C@@H](C[N@H+]1CCC[C@H]([NH+](C)C)CC1)C1CCCCC1 ZINC000569628312 1119346600 /nfs/dbraw/zinc/34/66/00/1119346600.db2.gz ALWNAOSLOBRJAD-RDJZCZTQSA-N 2 1 266.473 3.619 20 0 CHADMP CC1(C)C[C@@]1(C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657761863 1119361502 /nfs/dbraw/zinc/36/15/02/1119361502.db2.gz TXKANVGTMNRTQM-PKOBYXMFSA-N 2 1 298.474 3.962 20 0 CHADMP CC1(C)C[C@@]1(C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657761863 1119361506 /nfs/dbraw/zinc/36/15/06/1119361506.db2.gz TXKANVGTMNRTQM-PKOBYXMFSA-N 2 1 298.474 3.962 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000583646397 1119389627 /nfs/dbraw/zinc/38/96/27/1119389627.db2.gz YTHRDNZSMLEWSR-INIZCTEOSA-N 2 1 292.854 3.793 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(C)cc(C)c2)C1 ZINC000151095693 1119393236 /nfs/dbraw/zinc/39/32/36/1119393236.db2.gz HATKHDMJRKQFNL-IRXDYDNUSA-N 2 1 274.452 3.686 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000583745737 1119405519 /nfs/dbraw/zinc/40/55/19/1119405519.db2.gz MXUKBTMIPWPJCA-KBAYOESNSA-N 2 1 274.452 3.500 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000583745737 1119405521 /nfs/dbraw/zinc/40/55/21/1119405521.db2.gz MXUKBTMIPWPJCA-KBAYOESNSA-N 2 1 274.452 3.500 20 0 CHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2C2CCCCC2)C[C@H](C)[NH2+]1 ZINC000708386427 1119423209 /nfs/dbraw/zinc/42/32/09/1119423209.db2.gz MIINRQHBYMWJFW-YALNPMBYSA-N 2 1 264.457 3.560 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC34CC4)CC2)cc1 ZINC000657818698 1119457817 /nfs/dbraw/zinc/45/78/17/1119457817.db2.gz XAJCRVPDTUCMAW-GOSISDBHSA-N 2 1 284.447 3.573 20 0 CHADMP C[C@@H]1CC[N@H+](C2CCC(C(C)(C)C)CC2)C[C@H]1C[NH3+] ZINC000253189698 1119460115 /nfs/dbraw/zinc/46/01/15/1119460115.db2.gz KLJXZITYCNEUGT-WXLSXGNJSA-N 2 1 266.473 3.508 20 0 CHADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC000250594827 1119463487 /nfs/dbraw/zinc/46/34/87/1119463487.db2.gz PEPMDRUUKPUPGI-WMZOPIPTSA-N 2 1 286.463 3.558 20 0 CHADMP Cc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cc1Cl ZINC000343612823 1119472026 /nfs/dbraw/zinc/47/20/26/1119472026.db2.gz HVMKYZICFMXIFE-UHFFFAOYSA-N 2 1 280.843 3.566 20 0 CHADMP Cc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1Cl ZINC000343612823 1119472029 /nfs/dbraw/zinc/47/20/29/1119472029.db2.gz HVMKYZICFMXIFE-UHFFFAOYSA-N 2 1 280.843 3.566 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@@H](CC)c2ccccc2F)CC1 ZINC000168748708 1119474216 /nfs/dbraw/zinc/47/42/16/1119474216.db2.gz LOQGIMRGJVVDSE-KRWDZBQOSA-N 2 1 278.415 3.741 20 0 CHADMP CCOC1CCC([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000657837158 1119493593 /nfs/dbraw/zinc/49/35/93/1119493593.db2.gz DVLMLLCCJMLSFB-AOCRQIFASA-N 2 1 296.499 3.578 20 0 CHADMP C[C@H](c1cccc(F)c1)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081636447 1119520020 /nfs/dbraw/zinc/52/00/20/1119520020.db2.gz PMCPFIQGCMVPJH-GDBMZVCRSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081636447 1119520021 /nfs/dbraw/zinc/52/00/21/1119520021.db2.gz PMCPFIQGCMVPJH-GDBMZVCRSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081636447 1119520023 /nfs/dbraw/zinc/52/00/23/1119520023.db2.gz PMCPFIQGCMVPJH-GDBMZVCRSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@H](c1cccc(F)c1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081636447 1119520025 /nfs/dbraw/zinc/52/00/25/1119520025.db2.gz PMCPFIQGCMVPJH-GDBMZVCRSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@H](c1cccc(F)c1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081636447 1119520028 /nfs/dbraw/zinc/52/00/28/1119520028.db2.gz PMCPFIQGCMVPJH-GDBMZVCRSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000708527389 1119520849 /nfs/dbraw/zinc/52/08/49/1119520849.db2.gz COPBKJFCQFWGTE-LGKHCZOZSA-N 2 1 298.474 3.533 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](C)Cc2ccccc2)C1 ZINC000248546365 1128852022 /nfs/dbraw/zinc/85/20/22/1128852022.db2.gz DVDMLAHUYYUNHQ-IEBWSBKVSA-N 2 1 288.479 3.575 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC=CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000090036340 1119543205 /nfs/dbraw/zinc/54/32/05/1119543205.db2.gz QOOMRCOPEKZLIR-NEWSRXKRSA-N 2 1 284.447 3.738 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC=CCC2)CC[N@H+]1Cc1ccccc1 ZINC000090036340 1119543208 /nfs/dbraw/zinc/54/32/08/1119543208.db2.gz QOOMRCOPEKZLIR-NEWSRXKRSA-N 2 1 284.447 3.738 20 0 CHADMP C[N@@H+]1CCC[C@@H](CNc2cc[nH+]c3ccc(Cl)cc23)C1 ZINC000091482639 1119556783 /nfs/dbraw/zinc/55/67/83/1119556783.db2.gz YRHJXJWHTRHMES-LBPRGKRZSA-N 2 1 289.810 3.642 20 0 CHADMP C[N@H+]1CCC[C@@H](CNc2cc[nH+]c3ccc(Cl)cc23)C1 ZINC000091482639 1119556786 /nfs/dbraw/zinc/55/67/86/1119556786.db2.gz YRHJXJWHTRHMES-LBPRGKRZSA-N 2 1 289.810 3.642 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1C1CCC2(CCCC2)CC1 ZINC000129785616 1119557568 /nfs/dbraw/zinc/55/75/68/1119557568.db2.gz PNEMRCWUWVFGAP-GJZGRUSLSA-N 2 1 264.457 3.549 20 0 CHADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563895 1119572004 /nfs/dbraw/zinc/57/20/04/1119572004.db2.gz VZXIKUFMBLGGRH-UFYCRDLUSA-N 2 1 298.474 3.740 20 0 CHADMP C[N@@H+](CCSC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375765994 1119580924 /nfs/dbraw/zinc/58/09/24/1119580924.db2.gz ZCJALNQNXPMPIT-XYPWUTKMSA-N 2 1 296.524 3.609 20 0 CHADMP C[NH+](CCSC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375765994 1119580929 /nfs/dbraw/zinc/58/09/29/1119580929.db2.gz ZCJALNQNXPMPIT-XYPWUTKMSA-N 2 1 296.524 3.609 20 0 CHADMP C[NH+](CCSC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375765994 1119580931 /nfs/dbraw/zinc/58/09/31/1119580931.db2.gz ZCJALNQNXPMPIT-XYPWUTKMSA-N 2 1 296.524 3.609 20 0 CHADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000685629810 1119640366 /nfs/dbraw/zinc/64/03/66/1119640366.db2.gz NBNISYNKPBDZJL-IYXRBSQSSA-N 2 1 294.405 3.673 20 0 CHADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000685629810 1119640368 /nfs/dbraw/zinc/64/03/68/1119640368.db2.gz NBNISYNKPBDZJL-IYXRBSQSSA-N 2 1 294.405 3.673 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)C1 ZINC000657928489 1119644533 /nfs/dbraw/zinc/64/45/33/1119644533.db2.gz CQDCMYAZHRJCKA-KBPBESRZSA-N 2 1 290.442 3.624 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](CC)Cc1cccs1 ZINC000685658047 1119647742 /nfs/dbraw/zinc/64/77/42/1119647742.db2.gz BBTROTXCFBYWBW-HUUCEWRRSA-N 2 1 282.497 3.779 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](CC)Cc1cccs1 ZINC000685658047 1119647744 /nfs/dbraw/zinc/64/77/44/1119647744.db2.gz BBTROTXCFBYWBW-HUUCEWRRSA-N 2 1 282.497 3.779 20 0 CHADMP CC[C@@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(OC)cc1 ZINC000658094066 1119681856 /nfs/dbraw/zinc/68/18/56/1119681856.db2.gz XFSLYMTYDNHKMD-NVXWUHKLSA-N 2 1 290.451 3.609 20 0 CHADMP CC[C@@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(OC)cc1 ZINC000658094066 1119681858 /nfs/dbraw/zinc/68/18/58/1119681858.db2.gz XFSLYMTYDNHKMD-NVXWUHKLSA-N 2 1 290.451 3.609 20 0 CHADMP Cc1ccc([C@H](C)C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000628281210 1119789340 /nfs/dbraw/zinc/78/93/40/1119789340.db2.gz HQSFURHVWTXQFJ-NEWSRXKRSA-N 2 1 286.463 3.515 20 0 CHADMP Cc1ccc([C@H](C)C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000628281210 1119789342 /nfs/dbraw/zinc/78/93/42/1119789342.db2.gz HQSFURHVWTXQFJ-NEWSRXKRSA-N 2 1 286.463 3.515 20 0 CHADMP Cc1ccc([C@H](C)C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000628281210 1119789344 /nfs/dbraw/zinc/78/93/44/1119789344.db2.gz HQSFURHVWTXQFJ-NEWSRXKRSA-N 2 1 286.463 3.515 20 0 CHADMP Cc1ccc([C@H](C)C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000628281211 1119789384 /nfs/dbraw/zinc/78/93/84/1119789384.db2.gz HQSFURHVWTXQFJ-NZSAHSFTSA-N 2 1 286.463 3.515 20 0 CHADMP Cc1ccc([C@H](C)C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000628281211 1119789386 /nfs/dbraw/zinc/78/93/86/1119789386.db2.gz HQSFURHVWTXQFJ-NZSAHSFTSA-N 2 1 286.463 3.515 20 0 CHADMP Cc1ccc([C@H](C)C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000628281211 1119789389 /nfs/dbraw/zinc/78/93/89/1119789389.db2.gz HQSFURHVWTXQFJ-NZSAHSFTSA-N 2 1 286.463 3.515 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@@H]([N@@H+](C2CC2)C2CC[NH2+]CC2)C1 ZINC000647482635 1119793495 /nfs/dbraw/zinc/79/34/95/1119793495.db2.gz VFYVAOYRHRJQIG-UXHICEINSA-N 2 1 298.474 3.713 20 0 CHADMP CCCC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CCC1 ZINC000628280885 1119801236 /nfs/dbraw/zinc/80/12/36/1119801236.db2.gz NJUGXZDCQBAUAS-HZPDHXFCSA-N 2 1 266.473 3.808 20 0 CHADMP CC(C)CCC[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309810675 1119836717 /nfs/dbraw/zinc/83/67/17/1119836717.db2.gz MSUGNJFUDTXZIF-LJQANCHMSA-N 2 1 288.479 3.924 20 0 CHADMP CC[C@@H](C)C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309870955 1119839047 /nfs/dbraw/zinc/83/90/47/1119839047.db2.gz GRRGYIIUMKTDAN-SJLPKXTDSA-N 2 1 274.452 3.534 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CC(C)(C)C1 ZINC000708787061 1119844577 /nfs/dbraw/zinc/84/45/77/1119844577.db2.gz FMYWRDVMSYNCKW-XHSDSOJGSA-N 2 1 266.473 3.523 20 0 CHADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000414172338 1119925832 /nfs/dbraw/zinc/92/58/32/1119925832.db2.gz DXAUZFYJQOABOW-UKRRQHHQSA-N 2 1 266.454 3.521 20 0 CHADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccs1 ZINC000414173954 1119926375 /nfs/dbraw/zinc/92/63/75/1119926375.db2.gz HCNHUKZGLHBFQE-KBPBESRZSA-N 2 1 266.454 3.521 20 0 CHADMP CCC[C@H](C)[C@H](CC)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414176448 1119928147 /nfs/dbraw/zinc/92/81/47/1119928147.db2.gz IZZWHQCSIHJLLF-XHSDSOJGSA-N 2 1 254.462 3.523 20 0 CHADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414202419 1119936891 /nfs/dbraw/zinc/93/68/91/1119936891.db2.gz YPKPBSWXAFIIJA-SOLBZPMBSA-N 2 1 286.463 3.865 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)c(Cl)c1 ZINC000414203400 1119937914 /nfs/dbraw/zinc/93/79/14/1119937914.db2.gz ZYXTZUOFKKPZSO-CHWSQXEVSA-N 2 1 298.833 3.862 20 0 CHADMP C[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)[C@@H]1c1ccccc1 ZINC000472590620 1119989644 /nfs/dbraw/zinc/98/96/44/1119989644.db2.gz GTRYHWVICPDSGD-NXHRZFHOSA-N 2 1 272.436 3.554 20 0 CHADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)[C@@H]1c1ccccc1 ZINC000472590620 1119989646 /nfs/dbraw/zinc/98/96/46/1119989646.db2.gz GTRYHWVICPDSGD-NXHRZFHOSA-N 2 1 272.436 3.554 20 0 CHADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)[C@@H]1c1ccccc1 ZINC000472590620 1119989648 /nfs/dbraw/zinc/98/96/48/1119989648.db2.gz GTRYHWVICPDSGD-NXHRZFHOSA-N 2 1 272.436 3.554 20 0 CHADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)[C@@H]1c1ccccc1 ZINC000472590620 1119989651 /nfs/dbraw/zinc/98/96/51/1119989651.db2.gz GTRYHWVICPDSGD-NXHRZFHOSA-N 2 1 272.436 3.554 20 0 CHADMP CCc1ccc(C[N@@H+](CCCc2cncn2C)C2CC2)cc1 ZINC000580091333 1119994714 /nfs/dbraw/zinc/99/47/14/1119994714.db2.gz YCWQZHKKAWIXJL-UHFFFAOYSA-N 2 1 297.446 3.580 20 0 CHADMP CCc1ccc(C[N@H+](CCCc2c[nH+]cn2C)C2CC2)cc1 ZINC000580091333 1119994717 /nfs/dbraw/zinc/99/47/17/1119994717.db2.gz YCWQZHKKAWIXJL-UHFFFAOYSA-N 2 1 297.446 3.580 20 0 CHADMP CCc1ccc(C[N@@H+](CCCc2c[nH+]cn2C)C2CC2)cc1 ZINC000580091333 1119994719 /nfs/dbraw/zinc/99/47/19/1119994719.db2.gz YCWQZHKKAWIXJL-UHFFFAOYSA-N 2 1 297.446 3.580 20 0 CHADMP c1c2ccccc2oc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543983 1120005067 /nfs/dbraw/zinc/00/50/67/1120005067.db2.gz VFDKXURMVRPPJN-IRXDYDNUSA-N 2 1 298.430 3.644 20 0 CHADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647544546 1120005210 /nfs/dbraw/zinc/00/52/10/1120005210.db2.gz RPNZQCWIAJJQBD-FYQPLNBISA-N 2 1 298.474 3.502 20 0 CHADMP C[C@@H](CC[NH2+][C@@H](C)c1cccnc1)[N@H+](C)Cc1ccccc1 ZINC000177465372 1120037839 /nfs/dbraw/zinc/03/78/39/1120037839.db2.gz LFOCYZQUDRQVQA-IRXDYDNUSA-N 2 1 297.446 3.643 20 0 CHADMP C[C@@H](CC[NH2+][C@@H](C)c1cccnc1)[N@@H+](C)Cc1ccccc1 ZINC000177465372 1120037844 /nfs/dbraw/zinc/03/78/44/1120037844.db2.gz LFOCYZQUDRQVQA-IRXDYDNUSA-N 2 1 297.446 3.643 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1CC2CCC1CC2 ZINC000381724924 1128886093 /nfs/dbraw/zinc/88/60/93/1128886093.db2.gz RZJDBNVAONZFNH-RDHHWEPZSA-N 2 1 266.473 3.521 20 0 CHADMP CCCCC1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166360033 1120041713 /nfs/dbraw/zinc/04/17/13/1120041713.db2.gz NCMWWFZFPFWNGI-ZGUYJTEBSA-N 2 1 278.484 3.952 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624120219 1120056817 /nfs/dbraw/zinc/05/68/17/1120056817.db2.gz UOKPMHVXUIUPNQ-NVXWUHKLSA-N 2 1 274.452 3.632 20 0 CHADMP CC[C@H](Cc1cccs1)[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001116295396 1120077509 /nfs/dbraw/zinc/07/75/09/1120077509.db2.gz IFUXKXHWAUQQRC-FVQBIDKESA-N 2 1 280.481 3.532 20 0 CHADMP CC(C)C1CCC(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000181481026 1120104176 /nfs/dbraw/zinc/10/41/76/1120104176.db2.gz DCMXULLREQNWKP-VXLLPVPCSA-N 2 1 266.473 3.521 20 0 CHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCC[C@H]2c2ccccc2)C1 ZINC000624122681 1120104190 /nfs/dbraw/zinc/10/41/90/1120104190.db2.gz YOEOFPCFBQMMFC-NEWSRXKRSA-N 2 1 286.463 3.644 20 0 CHADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000353309479 1120123418 /nfs/dbraw/zinc/12/34/18/1120123418.db2.gz CKBQWISQLXZNCZ-QWHCGFSZSA-N 2 1 276.415 3.520 20 0 CHADMP c1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000378871547 1120137305 /nfs/dbraw/zinc/13/73/05/1120137305.db2.gz OWUWEBILHFKAMV-FYQPLNBISA-N 2 1 298.474 3.929 20 0 CHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000111695824 1120155021 /nfs/dbraw/zinc/15/50/21/1120155021.db2.gz NSHSDCRZGYIKTE-HOCLYGCPSA-N 2 1 274.452 3.543 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C2CCC(F)(F)CC2)C1 ZINC001116755521 1120208378 /nfs/dbraw/zinc/20/83/78/1120208378.db2.gz LIWLDLISDSKKPT-KGLIPLIRSA-N 2 1 288.426 3.522 20 0 CHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC2CC=CC2)C1 ZINC000659929827 1120291850 /nfs/dbraw/zinc/29/18/50/1120291850.db2.gz WJTXMQADLNIJMI-WMZOPIPTSA-N 2 1 276.468 3.539 20 0 CHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC2CC=CC2)C1 ZINC000659929827 1120291846 /nfs/dbraw/zinc/29/18/46/1120291846.db2.gz WJTXMQADLNIJMI-WMZOPIPTSA-N 2 1 276.468 3.539 20 0 CHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC2CC=CC2)C1 ZINC000659929827 1120291855 /nfs/dbraw/zinc/29/18/55/1120291855.db2.gz WJTXMQADLNIJMI-WMZOPIPTSA-N 2 1 276.468 3.539 20 0 CHADMP CC(C)C[C@H](C)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000499545765 1120311042 /nfs/dbraw/zinc/31/10/42/1120311042.db2.gz CYIYZYMMHNFTBY-JZXOWHBKSA-N 2 1 278.484 3.617 20 0 CHADMP CC(C)C[C@H](C)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000499545765 1120311046 /nfs/dbraw/zinc/31/10/46/1120311046.db2.gz CYIYZYMMHNFTBY-JZXOWHBKSA-N 2 1 278.484 3.617 20 0 CHADMP CC(C)C[C@H](C)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000499545765 1120311050 /nfs/dbraw/zinc/31/10/50/1120311050.db2.gz CYIYZYMMHNFTBY-JZXOWHBKSA-N 2 1 278.484 3.617 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(SC)c2)C[C@@H]1C ZINC000659983004 1120323244 /nfs/dbraw/zinc/32/32/44/1120323244.db2.gz BIHFXNZNAFWQIZ-HOCLYGCPSA-N 2 1 292.492 3.713 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(SC)c2)C[C@@H]1C ZINC000659983004 1120323248 /nfs/dbraw/zinc/32/32/48/1120323248.db2.gz BIHFXNZNAFWQIZ-HOCLYGCPSA-N 2 1 292.492 3.713 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(SC)c2)C[C@@H]1C ZINC000659983004 1120323252 /nfs/dbraw/zinc/32/32/52/1120323252.db2.gz BIHFXNZNAFWQIZ-HOCLYGCPSA-N 2 1 292.492 3.713 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(SC)c2)C[C@@H]1C ZINC000659983004 1120323256 /nfs/dbraw/zinc/32/32/56/1120323256.db2.gz BIHFXNZNAFWQIZ-HOCLYGCPSA-N 2 1 292.492 3.713 20 0 CHADMP CCC(CC)C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309746205 1120353160 /nfs/dbraw/zinc/35/31/60/1120353160.db2.gz UJXQQBLBVJNIHT-IBGZPJMESA-N 2 1 288.479 3.924 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000312432931 1120362687 /nfs/dbraw/zinc/36/26/87/1120362687.db2.gz AUOBJOZLZONBRQ-RDTXWAMCSA-N 2 1 268.404 3.572 20 0 CHADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000312432928 1120362852 /nfs/dbraw/zinc/36/28/52/1120362852.db2.gz AUOBJOZLZONBRQ-KSSFIOAISA-N 2 1 268.404 3.572 20 0 CHADMP C/C(=C/c1ccccc1)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000255600903 1120384513 /nfs/dbraw/zinc/38/45/13/1120384513.db2.gz VLADPYQPTWSQAP-SQHNDAJUSA-N 2 1 284.447 3.695 20 0 CHADMP CCC[C@H](C)CCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000629548179 1128914761 /nfs/dbraw/zinc/91/47/61/1128914761.db2.gz MMWXCMNNBMREEL-MLHJIOFPSA-N 2 1 296.499 3.564 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+]CC(C)(C)C)CC1 ZINC000066973208 1120421345 /nfs/dbraw/zinc/42/13/45/1120421345.db2.gz VYGQNGSUSVUBQD-UHFFFAOYSA-N 2 1 274.452 3.595 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000660220791 1120448373 /nfs/dbraw/zinc/44/83/73/1120448373.db2.gz MWJDZCRUTPQJEJ-XCZFOBESSA-N 2 1 298.474 3.533 20 0 CHADMP CN1CCC[C@H](C[N@@H+](C)[C@H]2CCc3ccc(Cl)cc32)C1 ZINC000543203724 1120462232 /nfs/dbraw/zinc/46/22/32/1120462232.db2.gz VPTKCGWFAKFUNC-GUYCJALGSA-N 2 1 292.854 3.601 20 0 CHADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCc2ccc(Cl)cc21 ZINC000543203724 1120462234 /nfs/dbraw/zinc/46/22/34/1120462234.db2.gz VPTKCGWFAKFUNC-GUYCJALGSA-N 2 1 292.854 3.601 20 0 CHADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCc2ccc(Cl)cc21 ZINC000543203724 1120462236 /nfs/dbraw/zinc/46/22/36/1120462236.db2.gz VPTKCGWFAKFUNC-GUYCJALGSA-N 2 1 292.854 3.601 20 0 CHADMP CCCCCC[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000765976866 1120477155 /nfs/dbraw/zinc/47/71/55/1120477155.db2.gz OLORYYXSHPQHAR-AEFFLSMTSA-N 2 1 296.499 3.578 20 0 CHADMP CCC(CC)C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222153853 1120496324 /nfs/dbraw/zinc/49/63/24/1120496324.db2.gz BOUVMAHZROCZJY-KRWDZBQOSA-N 2 1 266.473 3.668 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCSC2CCCCC2)C1 ZINC000500078384 1120505172 /nfs/dbraw/zinc/50/51/72/1120505172.db2.gz YSVODLBRPHZPBU-MRXNPFEDSA-N 2 1 298.540 3.716 20 0 CHADMP CC[C@@H]1CCC[C@H](C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000543394385 1120506336 /nfs/dbraw/zinc/50/63/36/1120506336.db2.gz OAJHVDCEKVWGFG-WCXIOVBPSA-N 2 1 266.473 3.617 20 0 CHADMP CC[C@@H]1CCC[C@H](C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000543394385 1120506339 /nfs/dbraw/zinc/50/63/39/1120506339.db2.gz OAJHVDCEKVWGFG-WCXIOVBPSA-N 2 1 266.473 3.617 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000543394385 1120506341 /nfs/dbraw/zinc/50/63/41/1120506341.db2.gz OAJHVDCEKVWGFG-WCXIOVBPSA-N 2 1 266.473 3.617 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000543394385 1120506344 /nfs/dbraw/zinc/50/63/44/1120506344.db2.gz OAJHVDCEKVWGFG-WCXIOVBPSA-N 2 1 266.473 3.617 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000499905116 1120547904 /nfs/dbraw/zinc/54/79/04/1120547904.db2.gz ICBBNFVIGNPSAV-QGZVFWFLSA-N 2 1 260.425 3.555 20 0 CHADMP CSCC1CCC([NH2+][C@@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000925677810 1120565485 /nfs/dbraw/zinc/56/54/85/1120565485.db2.gz ABDBIJJNDPHOKG-RKHAHWSXSA-N 2 1 292.492 3.586 20 0 CHADMP CC[N@@H+](CCC1CC[NH+](CC[C@@H](C)F)CC1)CC1CC1 ZINC000508990117 1120580865 /nfs/dbraw/zinc/58/08/65/1120580865.db2.gz DPYLGQRKLUZADS-OAHLLOKOSA-N 2 1 284.463 3.569 20 0 CHADMP CC1=CC[C@H](CC[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)C1(C)C ZINC001222421116 1120596332 /nfs/dbraw/zinc/59/63/32/1120596332.db2.gz IOLSTFLSWHAFFY-AEFFLSMTSA-N 2 1 276.468 3.587 20 0 CHADMP CC1=CC[C@H](CC[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)C1(C)C ZINC001222421116 1120596336 /nfs/dbraw/zinc/59/63/36/1120596336.db2.gz IOLSTFLSWHAFFY-AEFFLSMTSA-N 2 1 276.468 3.587 20 0 CHADMP CC[C@@H](c1ccc(Cl)cc1)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000428996584 1120605962 /nfs/dbraw/zinc/60/59/62/1120605962.db2.gz DYIBECZQAMXDOK-DLBZAZTESA-N 2 1 292.854 3.819 20 0 CHADMP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000428996584 1120605963 /nfs/dbraw/zinc/60/59/63/1120605963.db2.gz DYIBECZQAMXDOK-DLBZAZTESA-N 2 1 292.854 3.819 20 0 CHADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000428996584 1120605965 /nfs/dbraw/zinc/60/59/65/1120605965.db2.gz DYIBECZQAMXDOK-DLBZAZTESA-N 2 1 292.854 3.819 20 0 CHADMP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000428996584 1120605971 /nfs/dbraw/zinc/60/59/71/1120605971.db2.gz DYIBECZQAMXDOK-DLBZAZTESA-N 2 1 292.854 3.819 20 0 CHADMP C1CCC2(C1)CCC([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000253362672 1128928879 /nfs/dbraw/zinc/92/88/79/1128928879.db2.gz HEUUHRQQBMPGMF-SJORKVTESA-N 2 1 276.468 3.706 20 0 CHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c3ccccc23)CC[N@H+]1C ZINC000631079569 1120632838 /nfs/dbraw/zinc/63/28/38/1120632838.db2.gz IJFZTIUDRHUQQT-DZGCQCFKSA-N 2 1 286.394 3.551 20 0 CHADMP C[N@@H+](C[C@H]1CCCCC1(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000660541301 1120654795 /nfs/dbraw/zinc/65/47/95/1120654795.db2.gz VKWUGBHNZMGNPV-VPSFDDGASA-N 2 1 278.484 3.760 20 0 CHADMP C[NH+](C[C@H]1CCCCC1(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000660541301 1120654798 /nfs/dbraw/zinc/65/47/98/1120654798.db2.gz VKWUGBHNZMGNPV-VPSFDDGASA-N 2 1 278.484 3.760 20 0 CHADMP C[NH+](C[C@H]1CCCCC1(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000660541301 1120654800 /nfs/dbraw/zinc/65/48/00/1120654800.db2.gz VKWUGBHNZMGNPV-VPSFDDGASA-N 2 1 278.484 3.760 20 0 CHADMP CCCCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000253620313 1128935207 /nfs/dbraw/zinc/93/52/07/1128935207.db2.gz UEZDVZOPGUTSGG-SJORKVTESA-N 2 1 266.473 3.763 20 0 CHADMP CCCCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000253620313 1128935210 /nfs/dbraw/zinc/93/52/10/1128935210.db2.gz UEZDVZOPGUTSGG-SJORKVTESA-N 2 1 266.473 3.763 20 0 CHADMP CCCCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000253620313 1128935212 /nfs/dbraw/zinc/93/52/12/1128935212.db2.gz UEZDVZOPGUTSGG-SJORKVTESA-N 2 1 266.473 3.763 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661432977 1120765323 /nfs/dbraw/zinc/76/53/23/1120765323.db2.gz FTAFFFALWVVRHJ-KRWDZBQOSA-N 2 1 299.418 3.563 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661432977 1120765327 /nfs/dbraw/zinc/76/53/27/1120765327.db2.gz FTAFFFALWVVRHJ-KRWDZBQOSA-N 2 1 299.418 3.563 20 0 CHADMP CC[N@@H+](CCC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)C1CCCCC1 ZINC000651910419 1120775675 /nfs/dbraw/zinc/77/56/75/1120775675.db2.gz SOSQUNSYPCLVIK-FVQHAEBGSA-N 2 1 296.499 3.577 20 0 CHADMP Cc1ccc2[nH]c(C[NH+](C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc2c1C ZINC000473133235 1120794808 /nfs/dbraw/zinc/79/48/08/1120794808.db2.gz QSTOXGIBAWVCBJ-PBHICJAKSA-N 2 1 299.462 3.699 20 0 CHADMP Cc1ccc2[nH]c(C[NH+](C)[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2c1C ZINC000473133235 1120794809 /nfs/dbraw/zinc/79/48/09/1120794809.db2.gz QSTOXGIBAWVCBJ-PBHICJAKSA-N 2 1 299.462 3.699 20 0 CHADMP Cc1ccc2[nH]c(C[N@@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)cc2c1C ZINC000473133235 1120794812 /nfs/dbraw/zinc/79/48/12/1120794812.db2.gz QSTOXGIBAWVCBJ-PBHICJAKSA-N 2 1 299.462 3.699 20 0 CHADMP Cc1ccc2[nH]c(C[N@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)cc2c1C ZINC000473133235 1120794816 /nfs/dbraw/zinc/79/48/16/1120794816.db2.gz QSTOXGIBAWVCBJ-PBHICJAKSA-N 2 1 299.462 3.699 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000164616385 1120839452 /nfs/dbraw/zinc/83/94/52/1120839452.db2.gz PRFRCKRPSKKJAS-OAHLLOKOSA-N 2 1 297.446 3.811 20 0 CHADMP c1ccc2c(c1)cccc2C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150768463 1120843437 /nfs/dbraw/zinc/84/34/37/1120843437.db2.gz YSLOTFXQAOYRKH-QGZVFWFLSA-N 2 1 294.442 3.758 20 0 CHADMP c1ccc2c(c1)cccc2C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150768488 1120843524 /nfs/dbraw/zinc/84/35/24/1120843524.db2.gz YSLOTFXQAOYRKH-KRWDZBQOSA-N 2 1 294.442 3.758 20 0 CHADMP CCc1ccc([C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C(C)C)cc1 ZINC000054240352 1120855093 /nfs/dbraw/zinc/85/50/93/1120855093.db2.gz MFMCUCWOJPXGHN-IEBWSBKVSA-N 2 1 288.479 3.878 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000662238473 1120909185 /nfs/dbraw/zinc/90/91/85/1120909185.db2.gz QOGQFQLIQPZJSX-ZHALLVOQSA-N 2 1 286.463 3.502 20 0 CHADMP CSc1ccccc1C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662314405 1120925325 /nfs/dbraw/zinc/92/53/25/1120925325.db2.gz CVACSBKOQONWBF-GDBMZVCRSA-N 2 1 292.492 3.748 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)c(C)c1 ZINC000221921150 1120937695 /nfs/dbraw/zinc/93/76/95/1120937695.db2.gz MQDPDYCMLPMHMW-INIZCTEOSA-N 2 1 262.441 3.684 20 0 CHADMP c1cc(C2CC2)ccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663343849 1120940809 /nfs/dbraw/zinc/94/08/09/1120940809.db2.gz GYKARAQIZSHCID-GOSISDBHSA-N 2 1 298.474 3.776 20 0 CHADMP Cc1ccc([C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C2CCC2)cc1 ZINC000186993959 1120943866 /nfs/dbraw/zinc/94/38/66/1120943866.db2.gz RPBNJJZOIRTMNW-UZLBHIALSA-N 2 1 298.474 3.910 20 0 CHADMP CCC[C@@H](C)CCC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC001167804430 1120960350 /nfs/dbraw/zinc/96/03/50/1120960350.db2.gz ORMWWYXCSQHONX-CABCVRRESA-N 2 1 263.429 3.806 20 0 CHADMP C[NH+](C)Cc1ccc(-c2ccc([C@@H]3CC[N@@H+](C)C3)cc2)cc1 ZINC001204661305 1120965255 /nfs/dbraw/zinc/96/52/55/1120965255.db2.gz WDZKPCZUIMEPLA-HXUWFJFHSA-N 2 1 294.442 3.834 20 0 CHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc(Cl)c3Cl)C[C@H]21 ZINC000228538225 1120965507 /nfs/dbraw/zinc/96/55/07/1120965507.db2.gz LZZGIGLVRVUTOS-MPKXVKKWSA-N 2 1 299.245 3.553 20 0 CHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3Cl)C[C@H]21 ZINC000228538225 1120965510 /nfs/dbraw/zinc/96/55/10/1120965510.db2.gz LZZGIGLVRVUTOS-MPKXVKKWSA-N 2 1 299.245 3.553 20 0 CHADMP CC(C)C1CC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000390771163 1120977228 /nfs/dbraw/zinc/97/72/28/1120977228.db2.gz JLXIDGHQLIWNBV-LMDPOFIKSA-N 2 1 286.463 3.533 20 0 CHADMP FCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466330 1120981002 /nfs/dbraw/zinc/98/10/02/1120981002.db2.gz RAQGFPNTGVEPIY-OKZBNKHCSA-N 2 1 296.474 3.616 20 0 CHADMP C[C@@H]([NH2+]CC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390788726 1120981697 /nfs/dbraw/zinc/98/16/97/1120981697.db2.gz DFVMLRDPHANGPI-WBVHZDCISA-N 2 1 274.452 3.533 20 0 CHADMP CCCc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925781730 1120995090 /nfs/dbraw/zinc/99/50/90/1120995090.db2.gz ZXOUCLSEKKVGAO-CZUORRHYSA-N 2 1 296.405 3.535 20 0 CHADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000663500081 1120999460 /nfs/dbraw/zinc/99/94/60/1120999460.db2.gz NUHNVBLUOXCMIB-CYBMUJFWSA-N 2 1 280.799 3.549 20 0 CHADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(-c2ccc(F)cc2)s1 ZINC000643528179 1121007955 /nfs/dbraw/zinc/00/79/55/1121007955.db2.gz DZVDDXIQKSALNB-WDEREUQCSA-N 2 1 278.396 3.552 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237056893 1128956981 /nfs/dbraw/zinc/95/69/81/1128956981.db2.gz KZBMTAIEHNJZKZ-IRXDYDNUSA-N 2 1 266.473 3.820 20 0 CHADMP Cc1cc(C)c(COc2ccc([C@H](C)[NH3+])cc2)c(C)[nH+]1 ZINC000630503423 1128959855 /nfs/dbraw/zinc/95/98/55/1128959855.db2.gz DWQSQKOKWIJDPJ-ZDUSSCGKSA-N 2 1 270.376 3.606 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)C1 ZINC000344068770 1121072568 /nfs/dbraw/zinc/07/25/68/1121072568.db2.gz KJGOMPORGASAAO-UAGQMJEPSA-N 2 1 277.456 3.634 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000537941817 1121115501 /nfs/dbraw/zinc/11/55/01/1121115501.db2.gz DUKGUZOLGQDGJT-VQIMIIECSA-N 2 1 298.474 3.677 20 0 CHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H]2CC=CCC2)C1 ZINC000512180730 1121145163 /nfs/dbraw/zinc/14/51/63/1121145163.db2.gz OWNWEJNOFNKPHL-QYZOEREBSA-N 2 1 290.495 3.929 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000512180730 1121145164 /nfs/dbraw/zinc/14/51/64/1121145164.db2.gz OWNWEJNOFNKPHL-QYZOEREBSA-N 2 1 290.495 3.929 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000512180730 1121145166 /nfs/dbraw/zinc/14/51/66/1121145166.db2.gz OWNWEJNOFNKPHL-QYZOEREBSA-N 2 1 290.495 3.929 20 0 CHADMP Cc1nccn1CCCC[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000162849346 1121160154 /nfs/dbraw/zinc/16/01/54/1121160154.db2.gz JSSQIHVUFXRPPY-CQSZACIVSA-N 2 1 287.407 3.790 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000162849346 1121160157 /nfs/dbraw/zinc/16/01/57/1121160157.db2.gz JSSQIHVUFXRPPY-CQSZACIVSA-N 2 1 287.407 3.790 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000162849346 1121160159 /nfs/dbraw/zinc/16/01/59/1121160159.db2.gz JSSQIHVUFXRPPY-CQSZACIVSA-N 2 1 287.407 3.790 20 0 CHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]CC2(C)CCC2)CC1 ZINC000434772022 1121168798 /nfs/dbraw/zinc/16/87/98/1121168798.db2.gz FAMHKMYUWIHKJS-MRXNPFEDSA-N 2 1 286.463 3.992 20 0 CHADMP C[N@@H+]1CCC[C@H](C[NH2+]CC2(C)CCC2)[C@@H]1c1cccs1 ZINC000434765633 1121169324 /nfs/dbraw/zinc/16/93/24/1121169324.db2.gz RDGLKEXAGAPKRF-GDBMZVCRSA-N 2 1 292.492 3.911 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+]CC2(C)CCC2)[C@@H]1c1cccs1 ZINC000434765633 1121169325 /nfs/dbraw/zinc/16/93/25/1121169325.db2.gz RDGLKEXAGAPKRF-GDBMZVCRSA-N 2 1 292.492 3.911 20 0 CHADMP CC1(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CCC1 ZINC000434782335 1121172594 /nfs/dbraw/zinc/17/25/94/1121172594.db2.gz IHLAZTXWPJJCMP-HNNXBMFYSA-N 2 1 292.492 3.740 20 0 CHADMP CC1(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CCC1 ZINC000434782335 1121172595 /nfs/dbraw/zinc/17/25/95/1121172595.db2.gz IHLAZTXWPJJCMP-HNNXBMFYSA-N 2 1 292.492 3.740 20 0 CHADMP C[C@@H]1CC[C@@H](c2ccccc2)[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000512199940 1121191654 /nfs/dbraw/zinc/19/16/54/1121191654.db2.gz XUCYQUOKQBUCIR-QRQLOZEOSA-N 2 1 286.463 3.944 20 0 CHADMP C[C@@H]1CC[C@@H](c2ccccc2)[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000512199940 1121191659 /nfs/dbraw/zinc/19/16/59/1121191659.db2.gz XUCYQUOKQBUCIR-QRQLOZEOSA-N 2 1 286.463 3.944 20 0 CHADMP C[C@@H]1CC[C@H](c2ccccc2)[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000512199930 1121192206 /nfs/dbraw/zinc/19/22/06/1121192206.db2.gz XUCYQUOKQBUCIR-BHIYHBOVSA-N 2 1 286.463 3.944 20 0 CHADMP C[C@@H]1CC[C@H](c2ccccc2)[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000512199930 1121192213 /nfs/dbraw/zinc/19/22/13/1121192213.db2.gz XUCYQUOKQBUCIR-BHIYHBOVSA-N 2 1 286.463 3.944 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000674909272 1121197083 /nfs/dbraw/zinc/19/70/83/1121197083.db2.gz ZYKRBSYKBOWQRO-UHFFFAOYSA-N 2 1 298.515 3.636 20 0 CHADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1csc2ccccc12 ZINC000063192034 1121201690 /nfs/dbraw/zinc/20/16/90/1121201690.db2.gz QISBTXOJSAKWLX-IUODEOHRSA-N 2 1 274.433 3.603 20 0 CHADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1csc2ccccc12 ZINC000063192034 1121201694 /nfs/dbraw/zinc/20/16/94/1121201694.db2.gz QISBTXOJSAKWLX-IUODEOHRSA-N 2 1 274.433 3.603 20 0 CHADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1csc2ccccc12 ZINC000063192031 1121202218 /nfs/dbraw/zinc/20/22/18/1121202218.db2.gz QISBTXOJSAKWLX-WFASDCNBSA-N 2 1 274.433 3.603 20 0 CHADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1csc2ccccc12 ZINC000063192031 1121202223 /nfs/dbraw/zinc/20/22/23/1121202223.db2.gz QISBTXOJSAKWLX-WFASDCNBSA-N 2 1 274.433 3.603 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000658233357 1121238745 /nfs/dbraw/zinc/23/87/45/1121238745.db2.gz KKAHQCKYJJOWOM-YSTOQKLRSA-N 2 1 298.474 3.960 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2ccccc2c1 ZINC000124383128 1121293378 /nfs/dbraw/zinc/29/33/78/1121293378.db2.gz WNWDTWXULRLTTH-CVEARBPZSA-N 2 1 294.442 3.975 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc2ccccc2c1 ZINC000124383570 1121293410 /nfs/dbraw/zinc/29/34/10/1121293410.db2.gz WNWDTWXULRLTTH-HZPDHXFCSA-N 2 1 294.442 3.975 20 0 CHADMP Cc1c[nH+]c(Nc2ccc(C[NH+]3CCCCC3)cc2)c(N)c1 ZINC001175361688 1121297532 /nfs/dbraw/zinc/29/75/32/1121297532.db2.gz UGPVEWKGSHHOEB-UHFFFAOYSA-N 2 1 296.418 3.702 20 0 CHADMP CC[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000675750199 1121348975 /nfs/dbraw/zinc/34/89/75/1121348975.db2.gz VAXUJECEYOQHCH-ZACQAIPSSA-N 2 1 266.473 3.667 20 0 CHADMP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000675752427 1121352033 /nfs/dbraw/zinc/35/20/33/1121352033.db2.gz VASYPYWCSHMBOX-FJIDUMEYSA-N 2 1 278.484 3.808 20 0 CHADMP C[C@H](CCc1cccc(F)c1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000432790536 1121353704 /nfs/dbraw/zinc/35/37/04/1121353704.db2.gz CJZMEMQHUNCDHZ-CRAIPNDOSA-N 2 1 292.442 3.563 20 0 CHADMP Cc1ccc2[nH]c(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)cc2c1C ZINC000432792175 1121354784 /nfs/dbraw/zinc/35/47/84/1121354784.db2.gz JLWKEZAWSGYGDJ-KRWDZBQOSA-N 2 1 299.462 3.701 20 0 CHADMP Cc1ccc2[nH]c(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)cc2c1C ZINC000432792175 1121354793 /nfs/dbraw/zinc/35/47/93/1121354793.db2.gz JLWKEZAWSGYGDJ-KRWDZBQOSA-N 2 1 299.462 3.701 20 0 CHADMP c1ccc([C@@H]2C[C@H]([NH2+]CC3CCC=CCC3)CC[NH2+]2)cc1 ZINC000925881802 1121370725 /nfs/dbraw/zinc/37/07/25/1121370725.db2.gz UZTIEAQPRZKXNA-MOPGFXCFSA-N 2 1 284.447 3.816 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc2cnccc21 ZINC000237506507 1121377537 /nfs/dbraw/zinc/37/75/37/1121377537.db2.gz JUESTJRCJVNJRO-INIZCTEOSA-N 2 1 297.446 3.589 20 0 CHADMP CC[C@H](C[N@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000432816116 1121379489 /nfs/dbraw/zinc/37/94/89/1121379489.db2.gz NDSJZXAKLCRLQQ-AEFFLSMTSA-N 2 1 274.452 3.596 20 0 CHADMP CC(C)C(C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1)C(C)C ZINC001207783167 1121438102 /nfs/dbraw/zinc/43/81/02/1121438102.db2.gz BTRNSNYSZALIOM-YESZJQIVSA-N 2 1 280.500 3.577 20 0 CHADMP Cc1cccc(C)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000676712971 1121458374 /nfs/dbraw/zinc/45/83/74/1121458374.db2.gz VOFGPENHWNSPPE-XLIONFOSSA-N 2 1 298.474 3.752 20 0 CHADMP Cc1cccc(C)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000676712971 1121458378 /nfs/dbraw/zinc/45/83/78/1121458378.db2.gz VOFGPENHWNSPPE-XLIONFOSSA-N 2 1 298.474 3.752 20 0 CHADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)CCCCCC[NH3+] ZINC000710761986 1121476092 /nfs/dbraw/zinc/47/60/92/1121476092.db2.gz ZESGVHPSSFXVTI-QGZVFWFLSA-N 2 1 262.441 3.835 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1cc(C)ccc1C ZINC000429291447 1121512275 /nfs/dbraw/zinc/51/22/75/1121512275.db2.gz INUQRBCDJLKZNU-UHFFFAOYSA-N 2 1 285.435 3.721 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1cc(C)ccc1C ZINC000429291447 1121512282 /nfs/dbraw/zinc/51/22/82/1121512282.db2.gz INUQRBCDJLKZNU-UHFFFAOYSA-N 2 1 285.435 3.721 20 0 CHADMP CCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512669170 1121520582 /nfs/dbraw/zinc/52/05/82/1121520582.db2.gz YZLWFGIGWQXOHV-GUDVDZBRSA-N 2 1 286.463 3.677 20 0 CHADMP CCc1ccc([C@@H]2CC[N@H+](CCCn3cc[nH+]c3C)C2)cc1 ZINC000433053933 1121541310 /nfs/dbraw/zinc/54/13/10/1121541310.db2.gz RHSYEWNKBSKFKZ-LJQANCHMSA-N 2 1 297.446 3.634 20 0 CHADMP CCc1ccc([C@@H]2CC[N@@H+](CCCn3cc[nH+]c3C)C2)cc1 ZINC000433053933 1121541314 /nfs/dbraw/zinc/54/13/14/1121541314.db2.gz RHSYEWNKBSKFKZ-LJQANCHMSA-N 2 1 297.446 3.634 20 0 CHADMP CCc1ccc([C@H]2CC[N@H+](CCCn3cc[nH+]c3C)C2)cc1 ZINC000433053932 1121541465 /nfs/dbraw/zinc/54/14/65/1121541465.db2.gz RHSYEWNKBSKFKZ-IBGZPJMESA-N 2 1 297.446 3.634 20 0 CHADMP CCc1ccc([C@H]2CC[N@@H+](CCCn3cc[nH+]c3C)C2)cc1 ZINC000433053932 1121541470 /nfs/dbraw/zinc/54/14/70/1121541470.db2.gz RHSYEWNKBSKFKZ-IBGZPJMESA-N 2 1 297.446 3.634 20 0 CHADMP CC[N@H+](CCc1cccs1)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923305696 1121558113 /nfs/dbraw/zinc/55/81/13/1121558113.db2.gz MTJMZSQXQZWDOA-MQVJKMGUSA-N 2 1 292.492 3.533 20 0 CHADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCc2ccccc21 ZINC000923301480 1121558523 /nfs/dbraw/zinc/55/85/23/1121558523.db2.gz ULCFPTYLPIOXJT-SOXMVSPVSA-N 2 1 284.447 3.526 20 0 CHADMP CC[NH+]1CCC([NH2+]C2CCC3(CCCCC3)CC2)CC1 ZINC000466738238 1121590403 /nfs/dbraw/zinc/59/04/03/1121590403.db2.gz SGAHMFPHFDBEAN-UHFFFAOYSA-N 2 1 278.484 3.953 20 0 CHADMP C[C@H](c1ccccc1F)[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000317373060 1121603217 /nfs/dbraw/zinc/60/32/17/1121603217.db2.gz KBTBFRJOHZWHHI-CQSZACIVSA-N 2 1 298.405 3.664 20 0 CHADMP C[C@@H](c1cccc2ccccc21)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000320765948 1121610367 /nfs/dbraw/zinc/61/03/67/1121610367.db2.gz WGHQTVWBNHZCLO-RYQLBKOJSA-N 2 1 294.442 3.832 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C(C1CCCC1)C1CCCC1 ZINC001176364409 1121615495 /nfs/dbraw/zinc/61/54/95/1121615495.db2.gz CRRFAQWBVBSNGG-QGZVFWFLSA-N 2 1 278.484 3.809 20 0 CHADMP CCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000161625861 1121645993 /nfs/dbraw/zinc/64/59/93/1121645993.db2.gz OBXKYQASPOYBDR-KSZLIROESA-N 2 1 278.484 3.952 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+]C2CCCCC2)C1 ZINC000513000742 1121661298 /nfs/dbraw/zinc/66/12/98/1121661298.db2.gz WJYALRFMBBUUNF-GASCZTMLSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1 ZINC000261747656 1121690768 /nfs/dbraw/zinc/69/07/68/1121690768.db2.gz BZWODTKXUVYZDN-YTQUADARSA-N 2 1 286.463 3.563 20 0 CHADMP C[C@@H](C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001177261526 1121721530 /nfs/dbraw/zinc/72/15/30/1121721530.db2.gz FTSBFDANKSSUOV-LTIDMASMSA-N 2 1 280.500 3.911 20 0 CHADMP C[C@@H](C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001177261526 1121721536 /nfs/dbraw/zinc/72/15/36/1121721536.db2.gz FTSBFDANKSSUOV-LTIDMASMSA-N 2 1 280.500 3.911 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[C@H](CCC(C)C)C1 ZINC001177328123 1121724853 /nfs/dbraw/zinc/72/48/53/1121724853.db2.gz IAHIBJPMQLMCNC-IRXDYDNUSA-N 2 1 277.456 3.776 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)c(F)c1 ZINC000212814602 1121725160 /nfs/dbraw/zinc/72/51/60/1121725160.db2.gz SORCLFXPZJSLRO-IACUBPJLSA-N 2 1 296.817 3.757 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)c(F)c1 ZINC000212814602 1121725165 /nfs/dbraw/zinc/72/51/65/1121725165.db2.gz SORCLFXPZJSLRO-IACUBPJLSA-N 2 1 296.817 3.757 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC001177541919 1121737791 /nfs/dbraw/zinc/73/77/91/1121737791.db2.gz FBAHKKPCLBBWTN-XHSDSOJGSA-N 2 1 266.473 3.523 20 0 CHADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@H]1CC=CCC1 ZINC001177741697 1121748359 /nfs/dbraw/zinc/74/83/59/1121748359.db2.gz BVMWIHIHRAWOHY-IRXDYDNUSA-N 2 1 264.457 3.587 20 0 CHADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+]C[C@H]1CC=CCC1 ZINC001177741697 1121748362 /nfs/dbraw/zinc/74/83/62/1121748362.db2.gz BVMWIHIHRAWOHY-IRXDYDNUSA-N 2 1 264.457 3.587 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC001178249130 1121772240 /nfs/dbraw/zinc/77/22/40/1121772240.db2.gz JFAWHXUOJBLUKM-MRXNPFEDSA-N 2 1 294.870 3.798 20 0 CHADMP CCc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)s1 ZINC001178248815 1121772685 /nfs/dbraw/zinc/77/26/85/1121772685.db2.gz FLZLCMPCRSXMFP-HNNXBMFYSA-N 2 1 294.508 3.768 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206324816 1121776641 /nfs/dbraw/zinc/77/66/41/1121776641.db2.gz DMWRRKOGDRKALN-KRWDZBQOSA-N 2 1 294.870 3.908 20 0 CHADMP CC(C)c1cccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206326839 1121782300 /nfs/dbraw/zinc/78/23/00/1121782300.db2.gz PQBOENCXHPTVSY-SFHVURJKSA-N 2 1 274.452 3.761 20 0 CHADMP Cc1ccccc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001178458305 1121789522 /nfs/dbraw/zinc/78/95/22/1121789522.db2.gz ZNBSAQWJUWWGIH-AEFFLSMTSA-N 2 1 286.463 3.738 20 0 CHADMP Cc1ccccc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001178458307 1121789677 /nfs/dbraw/zinc/78/96/77/1121789677.db2.gz ZNBSAQWJUWWGIH-SJLPKXTDSA-N 2 1 286.463 3.738 20 0 CHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c3ccoc3ccc2F)CC1 ZINC001206336687 1121799924 /nfs/dbraw/zinc/79/99/24/1121799924.db2.gz NDLITVNLFCNLLB-QGZVFWFLSA-N 2 1 290.382 3.523 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C[C@H]1CCC[C@@H](CC)C1 ZINC001178836159 1121821156 /nfs/dbraw/zinc/82/11/56/1121821156.db2.gz UOMVLYVUDMVJNB-ZACQAIPSSA-N 2 1 268.489 3.913 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C[C@H]1CCC[C@@H](CC)C1 ZINC001178836159 1121821164 /nfs/dbraw/zinc/82/11/64/1121821164.db2.gz UOMVLYVUDMVJNB-ZACQAIPSSA-N 2 1 268.489 3.913 20 0 CHADMP CC[C@H]1CCC[C@H](C[NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC001178872112 1121824869 /nfs/dbraw/zinc/82/48/69/1121824869.db2.gz DLTVAFGXOXRPEJ-HOTGVXAUSA-N 2 1 266.473 3.667 20 0 CHADMP CC1(C)CCC[N@@H+]1CC[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC001178934054 1121829849 /nfs/dbraw/zinc/82/98/49/1121829849.db2.gz HAZKVPAZMWLKAC-OAHLLOKOSA-N 2 1 266.473 3.667 20 0 CHADMP CC1(C)CCC[N@H+]1CC[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC001178934054 1121829856 /nfs/dbraw/zinc/82/98/56/1121829856.db2.gz HAZKVPAZMWLKAC-OAHLLOKOSA-N 2 1 266.473 3.667 20 0 CHADMP F[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC001179304131 1121869194 /nfs/dbraw/zinc/86/91/94/1121869194.db2.gz GUGMQPKYQINPHF-DLBZAZTESA-N 2 1 282.447 3.654 20 0 CHADMP CC[C@@H](CNC/C(C)=C/c1ccccc1)[NH+]1CCCC1 ZINC000236981826 1121889231 /nfs/dbraw/zinc/88/92/31/1121889231.db2.gz MNNLZKQKMARURU-QCUIPMNBSA-N 2 1 272.436 3.554 20 0 CHADMP CC[C@@H](C[NH2+]C/C(C)=C/c1ccccc1)[NH+]1CCCC1 ZINC000236981826 1121889239 /nfs/dbraw/zinc/88/92/39/1121889239.db2.gz MNNLZKQKMARURU-QCUIPMNBSA-N 2 1 272.436 3.554 20 0 CHADMP Cn1cncc1CC[N@@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000298234691 1121901701 /nfs/dbraw/zinc/90/17/01/1121901701.db2.gz BRHOGCCQTOJBAF-IBGZPJMESA-N 2 1 295.430 3.505 20 0 CHADMP Cc1ccc(CN(C)CC[C@H]2CCCC[N@H+]2C)cc1Cl ZINC001180098998 1121953081 /nfs/dbraw/zinc/95/30/81/1121953081.db2.gz RGVQXNRMYVKHFZ-MRXNPFEDSA-N 2 1 294.870 3.955 20 0 CHADMP Cc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1Cl ZINC001180098998 1121953086 /nfs/dbraw/zinc/95/30/86/1121953086.db2.gz RGVQXNRMYVKHFZ-MRXNPFEDSA-N 2 1 294.870 3.955 20 0 CHADMP Cc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1Cl ZINC001180098998 1121953091 /nfs/dbraw/zinc/95/30/91/1121953091.db2.gz RGVQXNRMYVKHFZ-MRXNPFEDSA-N 2 1 294.870 3.955 20 0 CHADMP Cc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1Cl ZINC001180098998 1121953094 /nfs/dbraw/zinc/95/30/94/1121953094.db2.gz RGVQXNRMYVKHFZ-MRXNPFEDSA-N 2 1 294.870 3.955 20 0 CHADMP Cc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1Cl ZINC001180098998 1121953097 /nfs/dbraw/zinc/95/30/97/1121953097.db2.gz RGVQXNRMYVKHFZ-MRXNPFEDSA-N 2 1 294.870 3.955 20 0 CHADMP C(C[NH+]1CCC([NH+]2CCCC2)CC1)SC1CCCCC1 ZINC000501128572 1121954972 /nfs/dbraw/zinc/95/49/72/1121954972.db2.gz IZJBBMICPHVUQS-UHFFFAOYSA-N 2 1 296.524 3.613 20 0 CHADMP Cc1occc1C[N@H+](Cc1ccccc1)C1CCN(C)CC1 ZINC000414444689 1121989952 /nfs/dbraw/zinc/98/99/52/1121989952.db2.gz QJLWQFQBQPULSF-UHFFFAOYSA-N 2 1 298.430 3.684 20 0 CHADMP Cc1occc1C[N@@H+](Cc1ccccc1)C1CCN(C)CC1 ZINC000414444689 1121989956 /nfs/dbraw/zinc/98/99/56/1121989956.db2.gz QJLWQFQBQPULSF-UHFFFAOYSA-N 2 1 298.430 3.684 20 0 CHADMP c1ccc2c(c1)CC[C@@H]2[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000420317765 1121999593 /nfs/dbraw/zinc/99/95/93/1121999593.db2.gz NWLNZBHGFYYRNS-KXBFYZLASA-N 2 1 284.447 3.528 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420314585 1122000277 /nfs/dbraw/zinc/00/02/77/1122000277.db2.gz ZBMNERCXZCBLCG-RVKKMQEKSA-N 2 1 290.426 3.598 20 0 CHADMP FC(F)c1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420391025 1122004026 /nfs/dbraw/zinc/00/40/26/1122004026.db2.gz IHBGRACPHDSQQM-CVEARBPZSA-N 2 1 294.389 3.588 20 0 CHADMP C([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001181277342 1122046952 /nfs/dbraw/zinc/04/69/52/1122046952.db2.gz XNJOCHRPVWKKKX-BGTYHANMSA-N 2 1 276.468 3.562 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)CC1CCCC1 ZINC001182151822 1122114334 /nfs/dbraw/zinc/11/43/34/1122114334.db2.gz DJYQJBKRQFEJKN-CABCVRRESA-N 2 1 254.462 3.665 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CC1CCCC1 ZINC001182151822 1122114339 /nfs/dbraw/zinc/11/43/39/1122114339.db2.gz DJYQJBKRQFEJKN-CABCVRRESA-N 2 1 254.462 3.665 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+](CC)CC[C@@H]1CCC[NH+]1C ZINC000502688987 1122134241 /nfs/dbraw/zinc/13/42/41/1122134241.db2.gz DTLRJOSQENIXLP-ZWKOTPCHSA-N 2 1 274.452 3.944 20 0 CHADMP CC[C@H](c1ccccc1)[NH+](CC)CC[C@@H]1CCC[N@@H+]1C ZINC000502688987 1122134255 /nfs/dbraw/zinc/13/42/55/1122134255.db2.gz DTLRJOSQENIXLP-ZWKOTPCHSA-N 2 1 274.452 3.944 20 0 CHADMP CC[C@H](c1ccccc1)[NH+](CC)CC[C@@H]1CCC[N@H+]1C ZINC000502688987 1122134258 /nfs/dbraw/zinc/13/42/58/1122134258.db2.gz DTLRJOSQENIXLP-ZWKOTPCHSA-N 2 1 274.452 3.944 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1C1CCCCC1 ZINC000502717922 1122141756 /nfs/dbraw/zinc/14/17/56/1122141756.db2.gz HOAQLXOLIINWJA-IRXDYDNUSA-N 2 1 264.457 3.515 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000502717922 1122141757 /nfs/dbraw/zinc/14/17/57/1122141757.db2.gz HOAQLXOLIINWJA-IRXDYDNUSA-N 2 1 264.457 3.515 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000502717922 1122141760 /nfs/dbraw/zinc/14/17/60/1122141760.db2.gz HOAQLXOLIINWJA-IRXDYDNUSA-N 2 1 264.457 3.515 20 0 CHADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000503002146 1122161463 /nfs/dbraw/zinc/16/14/63/1122161463.db2.gz BSMDIVJPSOVYOB-NEPXVJNWSA-N 2 1 286.463 3.500 20 0 CHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000503002146 1122161465 /nfs/dbraw/zinc/16/14/65/1122161465.db2.gz BSMDIVJPSOVYOB-NEPXVJNWSA-N 2 1 286.463 3.500 20 0 CHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC001182713762 1122184688 /nfs/dbraw/zinc/18/46/88/1122184688.db2.gz ITRAJMAIAGIGNG-INIZCTEOSA-N 2 1 294.458 3.714 20 0 CHADMP CCC1([NH+](C)C)CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC001183197203 1122210617 /nfs/dbraw/zinc/21/06/17/1122210617.db2.gz PVMOOWBFIGVAJB-UHFFFAOYSA-N 2 1 286.463 3.870 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2(C)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000272884541 1122214850 /nfs/dbraw/zinc/21/48/50/1122214850.db2.gz NXBZVEHCJTZURZ-NVXWUHKLSA-N 2 1 272.436 3.572 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2(C)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000272884541 1122214856 /nfs/dbraw/zinc/21/48/56/1122214856.db2.gz NXBZVEHCJTZURZ-NVXWUHKLSA-N 2 1 272.436 3.572 20 0 CHADMP Cn1c(C[N@@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)cc2ccccc21 ZINC001184386610 1122273162 /nfs/dbraw/zinc/27/31/62/1122273162.db2.gz CHLYMAJNLVHECP-UHFFFAOYSA-N 2 1 299.462 3.531 20 0 CHADMP Cn1c(C[N@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)cc2ccccc21 ZINC001184386610 1122273165 /nfs/dbraw/zinc/27/31/65/1122273165.db2.gz CHLYMAJNLVHECP-UHFFFAOYSA-N 2 1 299.462 3.531 20 0 CHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CC4CC4)[C@H]3C2)cc1 ZINC000514103650 1122375714 /nfs/dbraw/zinc/37/57/14/1122375714.db2.gz DFQCWVVPKSHUNJ-SLFFLAALSA-N 2 1 298.474 3.677 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@@H](C(C)C)[C@H](C)C1 ZINC000509977350 1122399689 /nfs/dbraw/zinc/39/96/89/1122399689.db2.gz NHQMGGMYVMCGEI-OIISXLGYSA-N 2 1 277.456 3.632 20 0 CHADMP C[C@@H](CC1CCCCC1)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430115206 1122406660 /nfs/dbraw/zinc/40/66/60/1122406660.db2.gz FWQHXPHIHMUJBG-WMZOPIPTSA-N 2 1 278.484 3.621 20 0 CHADMP C[C@@H](CC1CCCCC1)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000430115206 1122406663 /nfs/dbraw/zinc/40/66/63/1122406663.db2.gz FWQHXPHIHMUJBG-WMZOPIPTSA-N 2 1 278.484 3.621 20 0 CHADMP C[C@@H](CC1CCCCC1)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000430115206 1122406664 /nfs/dbraw/zinc/40/66/64/1122406664.db2.gz FWQHXPHIHMUJBG-WMZOPIPTSA-N 2 1 278.484 3.621 20 0 CHADMP CC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167958456 1122444941 /nfs/dbraw/zinc/44/49/41/1122444941.db2.gz FDVRBXPPNPYXMM-DWVVOELRSA-N 2 1 276.468 3.560 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCCC1 ZINC000156176277 1122464703 /nfs/dbraw/zinc/46/47/03/1122464703.db2.gz OUMMPHCMRKBIQX-DJIMGWMZSA-N 2 1 264.457 3.562 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CCCC2(CCCCC2)C1 ZINC001190872547 1122559182 /nfs/dbraw/zinc/55/91/82/1122559182.db2.gz KPVKQCJBKHPORL-UHFFFAOYSA-N 2 1 266.473 3.765 20 0 CHADMP CC[C@@H](C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000516099462 1122568430 /nfs/dbraw/zinc/56/84/30/1122568430.db2.gz BHIPUAVXBWXVPA-SJORKVTESA-N 2 1 274.452 3.500 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCC(C(F)F)CC1 ZINC000516120281 1122570604 /nfs/dbraw/zinc/57/06/04/1122570604.db2.gz DNWMAPMOHGKZJP-HSBZDZAISA-N 2 1 276.415 3.520 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCC(C(F)F)CC1 ZINC000516120281 1122570608 /nfs/dbraw/zinc/57/06/08/1122570608.db2.gz DNWMAPMOHGKZJP-HSBZDZAISA-N 2 1 276.415 3.520 20 0 CHADMP CC(C)=CCN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001191520675 1122603298 /nfs/dbraw/zinc/60/32/98/1122603298.db2.gz JMRHVJMIKSWTJX-VQTJNVASSA-N 2 1 298.474 3.939 20 0 CHADMP CC(C)=CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001191520675 1122603301 /nfs/dbraw/zinc/60/33/01/1122603301.db2.gz JMRHVJMIKSWTJX-VQTJNVASSA-N 2 1 298.474 3.939 20 0 CHADMP CC(C)=CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001191520675 1122603306 /nfs/dbraw/zinc/60/33/06/1122603306.db2.gz JMRHVJMIKSWTJX-VQTJNVASSA-N 2 1 298.474 3.939 20 0 CHADMP CC(C)=CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001191520675 1122603310 /nfs/dbraw/zinc/60/33/10/1122603310.db2.gz JMRHVJMIKSWTJX-VQTJNVASSA-N 2 1 298.474 3.939 20 0 CHADMP CC(C)=CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001191520675 1122603314 /nfs/dbraw/zinc/60/33/14/1122603314.db2.gz JMRHVJMIKSWTJX-VQTJNVASSA-N 2 1 298.474 3.939 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638363785 1122622691 /nfs/dbraw/zinc/62/26/91/1122622691.db2.gz YHLLBUYYJZNPMD-KLICCBINSA-N 2 1 284.447 3.600 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638363785 1122622692 /nfs/dbraw/zinc/62/26/92/1122622692.db2.gz YHLLBUYYJZNPMD-KLICCBINSA-N 2 1 284.447 3.600 20 0 CHADMP C[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167962032 1122632795 /nfs/dbraw/zinc/63/27/95/1122632795.db2.gz SNWVWBVTEMCMAT-JWNBLRDTSA-N 2 1 276.468 3.560 20 0 CHADMP C[C@H]1CC[N@@H+](CCCC2CCCCC2)CC[C@@H]1C[NH3+] ZINC001205602788 1122650665 /nfs/dbraw/zinc/65/06/65/1122650665.db2.gz MKQPDGVCIRMJDS-DOTOQJQBSA-N 2 1 266.473 3.654 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(C)c1Cl ZINC001205603055 1122651204 /nfs/dbraw/zinc/65/12/04/1122651204.db2.gz NJIUNBYIYNHGRD-MRXNPFEDSA-N 2 1 298.833 3.610 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205603906 1122652065 /nfs/dbraw/zinc/65/20/65/1122652065.db2.gz SNBVNZAHVYEKNG-GVDBMIGSSA-N 2 1 266.473 3.676 20 0 CHADMP Cc1cc2cc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)oc2cc1C ZINC000425935321 1122662829 /nfs/dbraw/zinc/66/28/29/1122662829.db2.gz CYEFKKDRMSMBMX-DOMZBBRYSA-N 2 1 288.435 3.898 20 0 CHADMP CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cc(Cl)ccc1OC ZINC000425935654 1122666056 /nfs/dbraw/zinc/66/60/56/1122666056.db2.gz DZOPLXFURSLLPX-WFASDCNBSA-N 2 1 298.858 3.587 20 0 CHADMP Cc1ccc2cc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)oc2c1 ZINC000425939620 1122670644 /nfs/dbraw/zinc/67/06/44/1122670644.db2.gz UOMWORRKBWBMEA-KGLIPLIRSA-N 2 1 274.408 3.590 20 0 CHADMP C[C@H](C[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1)C[NH+](C)C ZINC000425943755 1122672477 /nfs/dbraw/zinc/67/24/77/1122672477.db2.gz SPUGFVZHBZUXHS-NEPJUHHUSA-N 2 1 294.826 3.935 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2)CC[C@H]1C[NH3+] ZINC001205626543 1122682920 /nfs/dbraw/zinc/68/29/20/1122682920.db2.gz HBIDPKJDOMBLMP-WBVHZDCISA-N 2 1 288.479 3.791 20 0 CHADMP Clc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)s1 ZINC000340435867 1122716822 /nfs/dbraw/zinc/71/68/22/1122716822.db2.gz RFQJTRPWEBQRHO-UHFFFAOYSA-N 2 1 284.856 3.508 20 0 CHADMP CCSc1ccccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205652268 1122747330 /nfs/dbraw/zinc/74/73/30/1122747330.db2.gz OUMXFEOWHQXOGA-HUUCEWRRSA-N 2 1 292.492 3.605 20 0 CHADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000353571441 1122748143 /nfs/dbraw/zinc/74/81/43/1122748143.db2.gz PERLZXZWGAOHMR-STQMWFEESA-N 2 1 276.415 3.519 20 0 CHADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000353571441 1122748147 /nfs/dbraw/zinc/74/81/47/1122748147.db2.gz PERLZXZWGAOHMR-STQMWFEESA-N 2 1 276.415 3.519 20 0 CHADMP CC/C=C\CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001194268738 1122763873 /nfs/dbraw/zinc/76/38/73/1122763873.db2.gz JESFNRXPEKZCMG-HZQHCPKGSA-N 2 1 298.474 3.941 20 0 CHADMP CC/C=C\CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001194268738 1122763874 /nfs/dbraw/zinc/76/38/74/1122763874.db2.gz JESFNRXPEKZCMG-HZQHCPKGSA-N 2 1 298.474 3.941 20 0 CHADMP CC/C=C\CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001194268738 1122763878 /nfs/dbraw/zinc/76/38/78/1122763878.db2.gz JESFNRXPEKZCMG-HZQHCPKGSA-N 2 1 298.474 3.941 20 0 CHADMP CCC[C@@H](C)CCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001194519087 1122779420 /nfs/dbraw/zinc/77/94/20/1122779420.db2.gz GYNWFOZFXFEODO-SJORKVTESA-N 2 1 266.473 3.621 20 0 CHADMP CCC[C@@H](C)CCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001194519087 1122779423 /nfs/dbraw/zinc/77/94/23/1122779423.db2.gz GYNWFOZFXFEODO-SJORKVTESA-N 2 1 266.473 3.621 20 0 CHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc3ccccc31)C2 ZINC001194504859 1122781200 /nfs/dbraw/zinc/78/12/00/1122781200.db2.gz GGSSMZGIGDUJGN-HXUWFJFHSA-N 2 1 294.442 3.758 20 0 CHADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cccc3ccccc31)C2 ZINC001194504859 1122781201 /nfs/dbraw/zinc/78/12/01/1122781201.db2.gz GGSSMZGIGDUJGN-HXUWFJFHSA-N 2 1 294.442 3.758 20 0 CHADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc3ccccc31)C2 ZINC001194504859 1122781205 /nfs/dbraw/zinc/78/12/05/1122781205.db2.gz GGSSMZGIGDUJGN-HXUWFJFHSA-N 2 1 294.442 3.758 20 0 CHADMP C/C(=C\c1ccccc1)C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000518746307 1122786419 /nfs/dbraw/zinc/78/64/19/1122786419.db2.gz QRQYLQYNVUTWBN-BBKFTCMMSA-N 2 1 298.474 3.754 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)CCCc2ccccc2C)CC1 ZINC000440324083 1122840283 /nfs/dbraw/zinc/84/02/83/1122840283.db2.gz IPBMIIUZFUQHLL-UHFFFAOYSA-N 2 1 288.479 3.734 20 0 CHADMP Cc1cc(F)ccc1[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC001195124183 1122846200 /nfs/dbraw/zinc/84/62/00/1122846200.db2.gz SSUWIPFTLKDYIL-FUHWJXTLSA-N 2 1 290.426 3.755 20 0 CHADMP Cc1cc(F)ccc1[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC001195124183 1122846203 /nfs/dbraw/zinc/84/62/03/1122846203.db2.gz SSUWIPFTLKDYIL-FUHWJXTLSA-N 2 1 290.426 3.755 20 0 CHADMP Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC001195124183 1122846205 /nfs/dbraw/zinc/84/62/05/1122846205.db2.gz SSUWIPFTLKDYIL-FUHWJXTLSA-N 2 1 290.426 3.755 20 0 CHADMP CCC[NH+]([C@H](C)CC)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981622 1122898124 /nfs/dbraw/zinc/89/81/24/1122898124.db2.gz BWMBYXKPOVGILG-NAZJXLNTSA-N 2 1 278.484 3.902 20 0 CHADMP CCC[NH+]([C@H](C)CC)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981622 1122898130 /nfs/dbraw/zinc/89/81/30/1122898130.db2.gz BWMBYXKPOVGILG-NAZJXLNTSA-N 2 1 278.484 3.902 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205764538 1122912770 /nfs/dbraw/zinc/91/27/70/1122912770.db2.gz WZSGQOUMJCSZAN-JZIMQPMSSA-N 2 1 288.426 3.819 20 0 CHADMP CC(C)c1ccc([C@H](C)[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1 ZINC001196781580 1122933970 /nfs/dbraw/zinc/93/39/70/1122933970.db2.gz CSWICFZBNLLVKY-IPELMVKDSA-N 2 1 286.463 3.755 20 0 CHADMP CC(C)c1ccc([C@H](C)[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1 ZINC001196781580 1122933973 /nfs/dbraw/zinc/93/39/73/1122933973.db2.gz CSWICFZBNLLVKY-IPELMVKDSA-N 2 1 286.463 3.755 20 0 CHADMP CC(C)c1ccc([C@H](C)[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1 ZINC001196781580 1122933975 /nfs/dbraw/zinc/93/39/75/1122933975.db2.gz CSWICFZBNLLVKY-IPELMVKDSA-N 2 1 286.463 3.755 20 0 CHADMP C[N@H+]1CC[C@H]2CN(Cc3cccc(C(C)(C)C)c3)CC[C@H]21 ZINC001197032843 1122943030 /nfs/dbraw/zinc/94/30/30/1122943030.db2.gz SYAWFTJZIDGSII-FUHWJXTLSA-N 2 1 286.463 3.510 20 0 CHADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(C(C)(C)C)c3)CC[C@H]21 ZINC001197032843 1122943032 /nfs/dbraw/zinc/94/30/32/1122943032.db2.gz SYAWFTJZIDGSII-FUHWJXTLSA-N 2 1 286.463 3.510 20 0 CHADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc(C(C)(C)C)c3)CC[C@H]21 ZINC001197032843 1122943035 /nfs/dbraw/zinc/94/30/35/1122943035.db2.gz SYAWFTJZIDGSII-FUHWJXTLSA-N 2 1 286.463 3.510 20 0 CHADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(C(C)(C)C)c3)CC[C@H]21 ZINC001197032843 1122943039 /nfs/dbraw/zinc/94/30/39/1122943039.db2.gz SYAWFTJZIDGSII-FUHWJXTLSA-N 2 1 286.463 3.510 20 0 CHADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(C(C)(C)C)c3)CC[C@H]21 ZINC001197032843 1122943041 /nfs/dbraw/zinc/94/30/41/1122943041.db2.gz SYAWFTJZIDGSII-FUHWJXTLSA-N 2 1 286.463 3.510 20 0 CHADMP CCc1cccnc1[C@@H](C)NCCC[N@H+]1CCCC[C@@H]1C ZINC000507483298 1122959607 /nfs/dbraw/zinc/95/96/07/1122959607.db2.gz GZDHMWFDEJMDKD-JKSUJKDBSA-N 2 1 289.467 3.559 20 0 CHADMP CCc1cccnc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000507483298 1122959610 /nfs/dbraw/zinc/95/96/10/1122959610.db2.gz GZDHMWFDEJMDKD-JKSUJKDBSA-N 2 1 289.467 3.559 20 0 CHADMP CCc1cccnc1[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000507483298 1122959613 /nfs/dbraw/zinc/95/96/13/1122959613.db2.gz GZDHMWFDEJMDKD-JKSUJKDBSA-N 2 1 289.467 3.559 20 0 CHADMP CCc1cccnc1[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000507527766 1122963226 /nfs/dbraw/zinc/96/32/26/1122963226.db2.gz MYUBIRXMJHPPGS-ZBFHGGJFSA-N 2 1 291.483 3.661 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1cccc(F)c1 ZINC000187964756 1122982287 /nfs/dbraw/zinc/98/22/87/1122982287.db2.gz SXSDWFSGSASGBR-MAUKXSAKSA-N 2 1 292.442 3.987 20 0 CHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)C(C)C)C1CC1 ZINC000154878501 1129093164 /nfs/dbraw/zinc/09/31/64/1129093164.db2.gz XVIPEPOKTUERIC-SFHVURJKSA-N 2 1 274.452 3.805 20 0 CHADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC[NH+](C(C)C)C(C)C ZINC001198908299 1123016959 /nfs/dbraw/zinc/01/69/59/1123016959.db2.gz OWZZIFJRYCWEMH-IRXDYDNUSA-N 2 1 266.473 3.687 20 0 CHADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC001199248683 1123024746 /nfs/dbraw/zinc/02/47/46/1123024746.db2.gz WMSKYMZZBOFDRM-SJORKVTESA-N 2 1 298.515 3.539 20 0 CHADMP CC(C)[C@@H](C[NH2+]C1CCC(C)CC1)[NH+]1CCC(C)CC1 ZINC001199259561 1123025939 /nfs/dbraw/zinc/02/59/39/1123025939.db2.gz TVVUWLXVRRQLDG-VMWRSERWSA-N 2 1 280.500 3.911 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H](CCC(C)C)C2)C1 ZINC001199383682 1123028722 /nfs/dbraw/zinc/02/87/22/1123028722.db2.gz FAWCINZJABSKFA-ZACQAIPSSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1ccoc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309915813 1129094715 /nfs/dbraw/zinc/09/47/15/1129094715.db2.gz OCBDZMTUQPHYNQ-RYRKJORJSA-N 2 1 298.430 3.841 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1ccoc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309915813 1129094718 /nfs/dbraw/zinc/09/47/18/1129094718.db2.gz OCBDZMTUQPHYNQ-RYRKJORJSA-N 2 1 298.430 3.841 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1 ZINC001199864433 1123043418 /nfs/dbraw/zinc/04/34/18/1123043418.db2.gz KSIAWPWKJLOVGB-RTBURBONSA-N 2 1 297.446 3.898 20 0 CHADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC001205903955 1123069292 /nfs/dbraw/zinc/06/92/92/1123069292.db2.gz SGGNQUYSLJOWJB-GDBMZVCRSA-N 2 1 274.452 3.543 20 0 CHADMP CCC(C)(C)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441400944 1123084835 /nfs/dbraw/zinc/08/48/35/1123084835.db2.gz MAVDFNACHTVGJP-WBVHZDCISA-N 2 1 278.484 3.761 20 0 CHADMP CCC(C)(C)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441400944 1123084839 /nfs/dbraw/zinc/08/48/39/1123084839.db2.gz MAVDFNACHTVGJP-WBVHZDCISA-N 2 1 278.484 3.761 20 0 CHADMP CCC(C)(C)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441400944 1123084845 /nfs/dbraw/zinc/08/48/45/1123084845.db2.gz MAVDFNACHTVGJP-WBVHZDCISA-N 2 1 278.484 3.761 20 0 CHADMP C1=CC[C@@H](C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC1 ZINC001201418795 1123097178 /nfs/dbraw/zinc/09/71/78/1123097178.db2.gz SERFPZQKIGPJJT-MSOLQXFVSA-N 2 1 276.468 3.683 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)C[C@@H]2CC=CCC2)CC1 ZINC001201426064 1123098834 /nfs/dbraw/zinc/09/88/34/1123098834.db2.gz BDRVINWYQDFMJR-MRXNPFEDSA-N 2 1 264.457 3.539 20 0 CHADMP CC(C)(C)C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001201435379 1123104067 /nfs/dbraw/zinc/10/40/67/1123104067.db2.gz JWJYDDDILXKEIC-UHFFFAOYSA-N 2 1 290.451 3.614 20 0 CHADMP CC(C)[N@@H+](CC1CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995487 1123107012 /nfs/dbraw/zinc/10/70/12/1123107012.db2.gz HIGWAFNRCDXYSR-JWTNVVGKSA-N 2 1 276.468 3.512 20 0 CHADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCCCCCC1)C2 ZINC001167995856 1123111478 /nfs/dbraw/zinc/11/14/78/1123111478.db2.gz SMKKJRVZIAUKAN-JWTNVVGKSA-N 2 1 276.468 3.658 20 0 CHADMP CC[C@H](C)C[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001201511324 1123114040 /nfs/dbraw/zinc/11/40/40/1123114040.db2.gz JBWSAVNWFXKXRE-INIZCTEOSA-N 2 1 274.452 3.629 20 0 CHADMP CCC(CC)C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001201526387 1123122230 /nfs/dbraw/zinc/12/22/30/1123122230.db2.gz ZPZBAGRCTBWJLW-UHFFFAOYSA-N 2 1 278.484 3.763 20 0 CHADMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1F ZINC001201559505 1123124304 /nfs/dbraw/zinc/12/43/04/1123124304.db2.gz ZDJSUMROPLMPRL-QGZVFWFLSA-N 2 1 292.442 3.592 20 0 CHADMP CC(C)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001201617116 1123131519 /nfs/dbraw/zinc/13/15/19/1123131519.db2.gz DOUVRKORLQYXQN-IPMKNSEASA-N 2 1 286.463 3.533 20 0 CHADMP CC(C)CC[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001201623981 1123132617 /nfs/dbraw/zinc/13/26/17/1123132617.db2.gz IGTUCVURKRQIRL-UHFFFAOYSA-N 2 1 288.479 3.877 20 0 CHADMP CCCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001201723003 1123141137 /nfs/dbraw/zinc/14/11/37/1123141137.db2.gz NUHHPWHTCPSCAG-RTBURBONSA-N 2 1 286.463 3.631 20 0 CHADMP CCCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001201723003 1123141138 /nfs/dbraw/zinc/14/11/38/1123141138.db2.gz NUHHPWHTCPSCAG-RTBURBONSA-N 2 1 286.463 3.631 20 0 CHADMP CCCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001201723003 1123141140 /nfs/dbraw/zinc/14/11/40/1123141140.db2.gz NUHHPWHTCPSCAG-RTBURBONSA-N 2 1 286.463 3.631 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001201981255 1123159974 /nfs/dbraw/zinc/15/99/74/1123159974.db2.gz LMECLCOODAATGZ-INIZCTEOSA-N 2 1 275.440 3.514 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001201981255 1123159977 /nfs/dbraw/zinc/15/99/77/1123159977.db2.gz LMECLCOODAATGZ-INIZCTEOSA-N 2 1 275.440 3.514 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)CCC(C)(C)C)CC1 ZINC001202115343 1123176632 /nfs/dbraw/zinc/17/66/32/1123176632.db2.gz UESXAMYKIHNNEP-UHFFFAOYSA-N 2 1 254.462 3.619 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251494467 1123223407 /nfs/dbraw/zinc/22/34/07/1123223407.db2.gz JLNDSUHXUDOHHK-YGOACVGDSA-N 2 1 278.827 3.616 20 0 CHADMP CC(C)CC[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccoc1 ZINC000665246911 1123253570 /nfs/dbraw/zinc/25/35/70/1123253570.db2.gz RFHVFOAOMFMFLN-HNNXBMFYSA-N 2 1 264.413 3.618 20 0 CHADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000474034898 1123318523 /nfs/dbraw/zinc/31/85/23/1123318523.db2.gz NAXSXNZRJGGJIE-STQMWFEESA-N 2 1 276.415 3.520 20 0 CHADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000474034898 1123318529 /nfs/dbraw/zinc/31/85/29/1123318529.db2.gz NAXSXNZRJGGJIE-STQMWFEESA-N 2 1 276.415 3.520 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442932091 1123349130 /nfs/dbraw/zinc/34/91/30/1123349130.db2.gz WXMVHGMCSXJCQV-CQSZACIVSA-N 2 1 280.843 3.518 20 0 CHADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271874092 1129115691 /nfs/dbraw/zinc/11/56/91/1129115691.db2.gz NLLXGLDYGQOCGY-INIZCTEOSA-N 2 1 286.463 3.594 20 0 CHADMP Cc1ccc(CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000272250257 1129117501 /nfs/dbraw/zinc/11/75/01/1129117501.db2.gz YHQCMFFOBLEEEL-AEFFLSMTSA-N 2 1 298.430 3.588 20 0 CHADMP Cc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000272250257 1129117503 /nfs/dbraw/zinc/11/75/03/1129117503.db2.gz YHQCMFFOBLEEEL-AEFFLSMTSA-N 2 1 298.430 3.588 20 0 CHADMP Cc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000272250257 1129117505 /nfs/dbraw/zinc/11/75/05/1129117505.db2.gz YHQCMFFOBLEEEL-AEFFLSMTSA-N 2 1 298.430 3.588 20 0 CHADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001204762614 1123378744 /nfs/dbraw/zinc/37/87/44/1123378744.db2.gz ABKMZTGHQYHVCO-HNAYVOBHSA-N 2 1 288.479 3.586 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1ccco1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272370092 1129118255 /nfs/dbraw/zinc/11/82/55/1129118255.db2.gz UPJOWMSBPGICKE-RYRKJORJSA-N 2 1 298.430 3.841 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1ccco1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272370092 1129118257 /nfs/dbraw/zinc/11/82/57/1129118257.db2.gz UPJOWMSBPGICKE-RYRKJORJSA-N 2 1 298.430 3.841 20 0 CHADMP CC[C@@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168016322 1123390641 /nfs/dbraw/zinc/39/06/41/1123390641.db2.gz UYZMMEMNVXSVRY-XLMAVXFVSA-N 2 1 274.452 3.816 20 0 CHADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC23CCCC3)CCCCC1 ZINC000474069425 1123410043 /nfs/dbraw/zinc/41/00/43/1123410043.db2.gz XUMNBJCZLRJDQZ-OAHLLOKOSA-N 2 1 264.457 3.563 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]CCc1ccc(C(C)C)cc1 ZINC000338953507 1123416729 /nfs/dbraw/zinc/41/67/29/1123416729.db2.gz DHFOQLDOHQYIBF-UHFFFAOYSA-N 2 1 285.435 3.537 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C2CCC(F)(F)CC2)C1 ZINC000474085266 1123423862 /nfs/dbraw/zinc/42/38/62/1123423862.db2.gz WTRABZBSVGHHEQ-UONOGXRCSA-N 2 1 288.426 3.522 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)C2CCC(F)(F)CC2)C1 ZINC000474085267 1123424091 /nfs/dbraw/zinc/42/40/91/1123424091.db2.gz WTRABZBSVGHHEQ-ZIAGYGMSSA-N 2 1 288.426 3.522 20 0 CHADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853239325 1123428988 /nfs/dbraw/zinc/42/89/88/1123428988.db2.gz FMWXQURORSIZPV-FXAWDEMLSA-N 2 1 298.474 3.694 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2CC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000395165142 1123461391 /nfs/dbraw/zinc/46/13/91/1123461391.db2.gz CBDPUBIVESXKFA-WBVHZDCISA-N 2 1 286.463 3.818 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2CC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000395165142 1123461392 /nfs/dbraw/zinc/46/13/92/1123461392.db2.gz CBDPUBIVESXKFA-WBVHZDCISA-N 2 1 286.463 3.818 20 0 CHADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](c2ccccc2)C(C)C)C1 ZINC000474263542 1123497050 /nfs/dbraw/zinc/49/70/50/1123497050.db2.gz CYZJBECDSLDYRY-IEBWSBKVSA-N 2 1 288.479 3.700 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](c2ccccc2)C(C)C)C1 ZINC000474263542 1123497052 /nfs/dbraw/zinc/49/70/52/1123497052.db2.gz CYZJBECDSLDYRY-IEBWSBKVSA-N 2 1 288.479 3.700 20 0 CHADMP CCC1(CC)CCC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000474423695 1123526396 /nfs/dbraw/zinc/52/63/96/1123526396.db2.gz AZTMJVHGIRSXDT-HOCLYGCPSA-N 2 1 266.473 3.808 20 0 CHADMP CCC1(CC)CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000474423695 1123526399 /nfs/dbraw/zinc/52/63/99/1123526399.db2.gz AZTMJVHGIRSXDT-HOCLYGCPSA-N 2 1 266.473 3.808 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@H](CC(C)C)c2ccccc2)C1 ZINC000474497805 1123541242 /nfs/dbraw/zinc/54/12/42/1123541242.db2.gz ZBSRURNBGHKBOI-MJGOQNOKSA-N 2 1 288.479 3.748 20 0 CHADMP C[C@@H]1CCC[C@H](CC[N@H+]2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000429531815 1123558423 /nfs/dbraw/zinc/55/84/23/1123558423.db2.gz WRDALCDVBXFXBG-ZACQAIPSSA-N 2 1 266.473 3.619 20 0 CHADMP CC(C)[N@H+](C)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039661 1123560757 /nfs/dbraw/zinc/56/07/57/1123560757.db2.gz GXGQPHQBRPZHQE-ALXJQNPVSA-N 2 1 274.452 3.768 20 0 CHADMP CC(C)[N@@H+](C)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039661 1123560761 /nfs/dbraw/zinc/56/07/61/1123560761.db2.gz GXGQPHQBRPZHQE-ALXJQNPVSA-N 2 1 274.452 3.768 20 0 CHADMP CC(C)[NH+](C)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039661 1123560767 /nfs/dbraw/zinc/56/07/67/1123560767.db2.gz GXGQPHQBRPZHQE-ALXJQNPVSA-N 2 1 274.452 3.768 20 0 CHADMP CC(C)[NH+](C)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039661 1123560770 /nfs/dbraw/zinc/56/07/70/1123560770.db2.gz GXGQPHQBRPZHQE-ALXJQNPVSA-N 2 1 274.452 3.768 20 0 CHADMP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000453354004 1123574253 /nfs/dbraw/zinc/57/42/53/1123574253.db2.gz OBLSFSJMJCAHNU-ZSYWTGECSA-N 2 1 286.463 3.704 20 0 CHADMP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000453354004 1123574257 /nfs/dbraw/zinc/57/42/57/1123574257.db2.gz OBLSFSJMJCAHNU-ZSYWTGECSA-N 2 1 286.463 3.704 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC001205008408 1123636426 /nfs/dbraw/zinc/63/64/26/1123636426.db2.gz AAKMUHATMXUVFR-VGOKWCNXSA-N 2 1 266.473 3.835 20 0 CHADMP CC(C)c1ccccc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000858245845 1123639000 /nfs/dbraw/zinc/63/90/00/1123639000.db2.gz PPOKOHVDSJURPC-MRXNPFEDSA-N 2 1 274.452 3.632 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1(C)C ZINC000858320569 1123645465 /nfs/dbraw/zinc/64/54/65/1123645465.db2.gz DZDLHILKCLGQPQ-GOEBONIOSA-N 2 1 292.854 3.790 20 0 CHADMP CCCc1cc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000443887015 1123646653 /nfs/dbraw/zinc/64/66/53/1123646653.db2.gz FTUZVBACLRUILC-HOCLYGCPSA-N 2 1 297.446 3.504 20 0 CHADMP CC(C)Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000858443993 1123654683 /nfs/dbraw/zinc/65/46/83/1123654683.db2.gz YRJXMIVMJSTNJP-YQQQUEKLSA-N 2 1 286.463 3.600 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+]C1(c2cccc(C)c2)CCCC1 ZINC000346276790 1123674194 /nfs/dbraw/zinc/67/41/94/1123674194.db2.gz MSAKPZZIVWKGGQ-UHFFFAOYSA-N 2 1 283.419 3.559 20 0 CHADMP CC[C@H]([NH2+]CC[C@@H](C)[NH+]1CCCCC1)c1ccc(F)cn1 ZINC000346873625 1123728832 /nfs/dbraw/zinc/72/88/32/1123728832.db2.gz HPUYSQPFAPJHPR-ZBFHGGJFSA-N 2 1 293.430 3.526 20 0 CHADMP Cc1ccc(C)c(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000042296255 1123782577 /nfs/dbraw/zinc/78/25/77/1123782577.db2.gz XNRRBEREEUTBKD-KRWDZBQOSA-N 2 1 274.452 3.658 20 0 CHADMP CC[C@@H](C[N@H+]1CCCC12CC[NH+](C)CC2)c1ccccc1 ZINC000475116893 1123795625 /nfs/dbraw/zinc/79/56/25/1123795625.db2.gz FWMSAHPENCWKGL-KRWDZBQOSA-N 2 1 286.463 3.740 20 0 CHADMP C[NH+]1CCC([NH2+]Cc2ccc3oc4ccccc4c3c2)CC1 ZINC000777260649 1123815394 /nfs/dbraw/zinc/81/53/94/1123815394.db2.gz JDVWCMVLQNQKNK-UHFFFAOYSA-N 2 1 294.398 3.770 20 0 CHADMP CC1(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000475216112 1123825570 /nfs/dbraw/zinc/82/55/70/1123825570.db2.gz MZAVGQOSRDDNKX-IPMKNSEASA-N 2 1 298.474 3.677 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000475352425 1123847694 /nfs/dbraw/zinc/84/76/94/1123847694.db2.gz NTTXWFWFFDOJAJ-BPQIPLTHSA-N 2 1 274.452 3.643 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C)CCC(C)CC2)[C@@H](C)C1 ZINC000475431891 1123865480 /nfs/dbraw/zinc/86/54/80/1123865480.db2.gz WHFHQYRAZSJWBV-YZUHTNEWSA-N 2 1 266.473 3.523 20 0 CHADMP CCC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)c1ccccn1 ZINC000158723827 1129150858 /nfs/dbraw/zinc/15/08/58/1129150858.db2.gz DYZQNTUONAFBDG-IAGOWNOFSA-N 2 1 289.467 3.634 20 0 CHADMP C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc3c(c2)C[NH2+]C3)cc1 ZINC000863690812 1123890680 /nfs/dbraw/zinc/89/06/80/1123890680.db2.gz WNNKNXWATBHHBO-OAHLLOKOSA-N 2 1 292.426 3.941 20 0 CHADMP CCCC[NH+]1CCC(Nc2cc[nH+]c3ccsc32)CC1 ZINC000301366762 1123894723 /nfs/dbraw/zinc/89/47/23/1123894723.db2.gz NVERRTOPRHFGQC-UHFFFAOYSA-N 2 1 289.448 3.973 20 0 CHADMP C[C@@H](C[NH+]1CCCCC1)Nc1cc[nH+]c2cc(F)ccc12 ZINC000301518965 1123907253 /nfs/dbraw/zinc/90/72/53/1123907253.db2.gz KRSVYBCEHDGWSE-ZDUSSCGKSA-N 2 1 287.382 3.660 20 0 CHADMP C[C@@H]1CCCC[N@@H+]1CCCCNc1cc[nH+]cc1Cl ZINC000301556294 1123911428 /nfs/dbraw/zinc/91/14/28/1123911428.db2.gz ZVAQYFWZZFWCGP-CYBMUJFWSA-N 2 1 281.831 3.802 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCCNc1cc[nH+]cc1Cl ZINC000301556294 1123911432 /nfs/dbraw/zinc/91/14/32/1123911432.db2.gz ZVAQYFWZZFWCGP-CYBMUJFWSA-N 2 1 281.831 3.802 20 0 CHADMP Cc1cc[nH+]c(NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000301618745 1123918067 /nfs/dbraw/zinc/91/80/67/1123918067.db2.gz BNBMSUGADQIQMF-IYBDPMFKSA-N 2 1 275.440 3.560 20 0 CHADMP Cc1cc[nH+]c(NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000301618745 1123918069 /nfs/dbraw/zinc/91/80/69/1123918069.db2.gz BNBMSUGADQIQMF-IYBDPMFKSA-N 2 1 275.440 3.560 20 0 CHADMP Cc1[nH+]ccn1CCCCNc1cc[nH+]c2ccc(C)cc12 ZINC000302154473 1123957669 /nfs/dbraw/zinc/95/76/69/1123957669.db2.gz LXDOWPBXDHUCEM-UHFFFAOYSA-N 2 1 294.402 3.940 20 0 CHADMP Cc1cccc(NCC2CC[NH+](CCC(C)C)CC2)[nH+]1 ZINC000302236060 1123963168 /nfs/dbraw/zinc/96/31/68/1123963168.db2.gz JFVYEDQSDAQAGV-UHFFFAOYSA-N 2 1 275.440 3.560 20 0 CHADMP Cc1cc(NCC(C)(C)[NH2+][C@H](C)c2ccccc2)nc(C)[nH+]1 ZINC000302441510 1123968758 /nfs/dbraw/zinc/96/87/58/1123968758.db2.gz AJGVRTUDHRTEBX-CQSZACIVSA-N 2 1 298.434 3.635 20 0 CHADMP CCC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CCCCC1 ZINC000152442431 1124002577 /nfs/dbraw/zinc/00/25/77/1124002577.db2.gz DTIPCVRQVGYTRN-YJBOKZPZSA-N 2 1 278.484 3.809 20 0 CHADMP CC(C)C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccs1 ZINC000152448667 1124002734 /nfs/dbraw/zinc/00/27/34/1124002734.db2.gz FIDYKWLZLNOWFG-GOEBONIOSA-N 2 1 292.492 3.909 20 0 CHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC1(c2ccccc2)CC1 ZINC000444686190 1124050703 /nfs/dbraw/zinc/05/07/03/1124050703.db2.gz BUPSZLNDUVGHLB-GOSISDBHSA-N 2 1 286.463 3.524 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC1(c2ccccc2)CC1 ZINC000444686190 1124050707 /nfs/dbraw/zinc/05/07/07/1124050707.db2.gz BUPSZLNDUVGHLB-GOSISDBHSA-N 2 1 286.463 3.524 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC1(c2ccccc2)CC1 ZINC000444686190 1124050710 /nfs/dbraw/zinc/05/07/10/1124050710.db2.gz BUPSZLNDUVGHLB-GOSISDBHSA-N 2 1 286.463 3.524 20 0 CHADMP CCC(CC)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(F)(F)F ZINC000866505800 1124074503 /nfs/dbraw/zinc/07/45/03/1124074503.db2.gz VOFHTKBFOHKLPI-YHWZYXNKSA-N 2 1 292.389 3.570 20 0 CHADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(C(F)(F)F)s1 ZINC000717983256 1129164704 /nfs/dbraw/zinc/16/47/04/1129164704.db2.gz AZWLNFKHKWVQPQ-ZJUUUORDSA-N 2 1 294.386 3.758 20 0 CHADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(C(F)(F)F)s1 ZINC000717983248 1129164823 /nfs/dbraw/zinc/16/48/23/1129164823.db2.gz AZWLNFKHKWVQPQ-NXEZZACHSA-N 2 1 294.386 3.758 20 0 CHADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2ccsc2Cl)C1 ZINC000866707784 1124094564 /nfs/dbraw/zinc/09/45/64/1124094564.db2.gz JVOKDPWQXSLQCS-CQSZACIVSA-N 2 1 286.872 3.598 20 0 CHADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccsc2Cl)C1 ZINC000866707784 1124094568 /nfs/dbraw/zinc/09/45/68/1124094568.db2.gz JVOKDPWQXSLQCS-CQSZACIVSA-N 2 1 286.872 3.598 20 0 CHADMP C[C@@H](CC1CCCCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000447058553 1124131298 /nfs/dbraw/zinc/13/12/98/1124131298.db2.gz UROLOEPFRDYNNB-USXIJHARSA-N 2 1 264.457 3.562 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(Cl)c1 ZINC000447315232 1124463546 /nfs/dbraw/zinc/46/35/46/1124463546.db2.gz YEIRSJBATOVRPC-DOTOQJQBSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(Cl)c1 ZINC000447315232 1124463548 /nfs/dbraw/zinc/46/35/48/1124463548.db2.gz YEIRSJBATOVRPC-DOTOQJQBSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(Cl)c1 ZINC000447315232 1124463550 /nfs/dbraw/zinc/46/35/50/1124463550.db2.gz YEIRSJBATOVRPC-DOTOQJQBSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(Cl)c1 ZINC000447315232 1124463553 /nfs/dbraw/zinc/46/35/53/1124463553.db2.gz YEIRSJBATOVRPC-DOTOQJQBSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c(C)o1 ZINC000447541284 1124485264 /nfs/dbraw/zinc/48/52/64/1124485264.db2.gz GAQMCEHJNMGVOT-HOCLYGCPSA-N 2 1 278.440 3.667 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c(C)o1 ZINC000447541284 1124485269 /nfs/dbraw/zinc/48/52/69/1124485269.db2.gz GAQMCEHJNMGVOT-HOCLYGCPSA-N 2 1 278.440 3.667 20 0 CHADMP CC(C)C[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000448551795 1124584728 /nfs/dbraw/zinc/58/47/28/1124584728.db2.gz WCKKGPQPICMLIH-CIQAELJKSA-N 2 1 278.484 3.806 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3ccoc32)[C@H](C)C1 ZINC000449027083 1124634454 /nfs/dbraw/zinc/63/44/54/1124634454.db2.gz HCKQRLRQZMQEHX-PBHICJAKSA-N 2 1 286.419 3.595 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3ccoc32)[C@H](C)C1 ZINC000449027083 1124634457 /nfs/dbraw/zinc/63/44/57/1124634457.db2.gz HCKQRLRQZMQEHX-PBHICJAKSA-N 2 1 286.419 3.595 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3ccoc32)[C@H](C)C1 ZINC000449027083 1124634460 /nfs/dbraw/zinc/63/44/60/1124634460.db2.gz HCKQRLRQZMQEHX-PBHICJAKSA-N 2 1 286.419 3.595 20 0 CHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(C)(C)C)[C@@H](C)C1 ZINC000449140244 1124655687 /nfs/dbraw/zinc/65/56/87/1124655687.db2.gz MXLKLCGYTFUWTH-BBWFWOEESA-N 2 1 298.515 3.538 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CCCC[C@H]1C ZINC000449175896 1124660517 /nfs/dbraw/zinc/66/05/17/1124660517.db2.gz PCCCURDHPMDKLY-GLHLROKDSA-N 2 1 278.484 3.806 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CCCC[C@H]1C ZINC000449175896 1124660521 /nfs/dbraw/zinc/66/05/21/1124660521.db2.gz PCCCURDHPMDKLY-GLHLROKDSA-N 2 1 278.484 3.806 20 0 CHADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449341226 1124694931 /nfs/dbraw/zinc/69/49/31/1124694931.db2.gz YKRORYFLUJCTGN-HJOIGYKYSA-N 2 1 296.499 3.575 20 0 CHADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449341226 1124694932 /nfs/dbraw/zinc/69/49/32/1124694932.db2.gz YKRORYFLUJCTGN-HJOIGYKYSA-N 2 1 296.499 3.575 20 0 CHADMP CCC(CC)(C[NH2+][C@@H](C)c1c[nH+]ccc1N)C(F)(F)F ZINC000873247113 1124755597 /nfs/dbraw/zinc/75/55/97/1124755597.db2.gz IMNRGIQKSCFHCI-JTQLQIEISA-N 2 1 289.345 3.513 20 0 CHADMP CC/C=C/C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449461842 1124757285 /nfs/dbraw/zinc/75/72/85/1124757285.db2.gz UABDYYYNXHMZJX-UWOZVVAPSA-N 2 1 272.436 3.595 20 0 CHADMP CC/C=C/C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449461842 1124757290 /nfs/dbraw/zinc/75/72/90/1124757290.db2.gz UABDYYYNXHMZJX-UWOZVVAPSA-N 2 1 272.436 3.595 20 0 CHADMP Cc1c[nH+]ccc1N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001121002429 1131287792 /nfs/dbraw/zinc/28/77/92/1131287792.db2.gz MXVYNVJKKZSQHF-OAHLLOKOSA-N 2 1 298.434 3.726 20 0 CHADMP C[C@@H](CCC1CCCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560540 1124803692 /nfs/dbraw/zinc/80/36/92/1124803692.db2.gz MMAVUXZDMLABED-MIGBEJBISA-N 2 1 278.484 3.950 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000449743357 1124857472 /nfs/dbraw/zinc/85/74/72/1124857472.db2.gz WXZXDTDSRPFTRQ-QLIIJSOBSA-N 2 1 298.474 3.675 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000449743357 1124857480 /nfs/dbraw/zinc/85/74/80/1124857480.db2.gz WXZXDTDSRPFTRQ-QLIIJSOBSA-N 2 1 298.474 3.675 20 0 CHADMP CC1(C)CCC[N@@H+]1CC[NH2+]C1CC(c2ccccc2F)C1 ZINC000449781272 1124870753 /nfs/dbraw/zinc/87/07/53/1124870753.db2.gz HQVZNYVXEIJLCB-UHFFFAOYSA-N 2 1 290.426 3.536 20 0 CHADMP CC1(C)CCC[N@H+]1CC[NH2+]C1CC(c2ccccc2F)C1 ZINC000449781272 1124870769 /nfs/dbraw/zinc/87/07/69/1124870769.db2.gz HQVZNYVXEIJLCB-UHFFFAOYSA-N 2 1 290.426 3.536 20 0 CHADMP CSC(C)(C)CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000877188813 1125018649 /nfs/dbraw/zinc/01/86/49/1125018649.db2.gz HIWLLFQYFDOOBP-HUUCEWRRSA-N 2 1 298.540 3.761 20 0 CHADMP Cc1nccn1CCC[N@H+](C)CC/C=C/c1ccccc1 ZINC000450604689 1125065346 /nfs/dbraw/zinc/06/53/46/1125065346.db2.gz XKAANOYZKBNPRL-IZZDOVSWSA-N 2 1 283.419 3.617 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC/C=C/c1ccccc1 ZINC000450604689 1125065353 /nfs/dbraw/zinc/06/53/53/1125065353.db2.gz XKAANOYZKBNPRL-IZZDOVSWSA-N 2 1 283.419 3.617 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC/C=C/c1ccccc1 ZINC000450604689 1125065360 /nfs/dbraw/zinc/06/53/60/1125065360.db2.gz XKAANOYZKBNPRL-IZZDOVSWSA-N 2 1 283.419 3.617 20 0 CHADMP c1cn(Cc2cccc(C[NH+]3CCCCC3)c2)c(C2CC2)[nH+]1 ZINC000530129218 1125124663 /nfs/dbraw/zinc/12/46/63/1125124663.db2.gz GHJAZKYFZWFLRC-UHFFFAOYSA-N 2 1 295.430 3.795 20 0 CHADMP CC(C)[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000530469502 1125157041 /nfs/dbraw/zinc/15/70/41/1125157041.db2.gz GHHTZGYRBINPQQ-HKUYNNGSSA-N 2 1 286.463 3.533 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)cc(C)c2)C[C@@H]1C ZINC000530662674 1125170853 /nfs/dbraw/zinc/17/08/53/1125170853.db2.gz DJXGVFNDUQEQTB-FUHWJXTLSA-N 2 1 274.452 3.608 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)cc(C)c2)C[C@@H]1C ZINC000530662674 1125170858 /nfs/dbraw/zinc/17/08/58/1125170858.db2.gz DJXGVFNDUQEQTB-FUHWJXTLSA-N 2 1 274.452 3.608 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)cc(C)c2)C[C@@H]1C ZINC000530662674 1125170861 /nfs/dbraw/zinc/17/08/61/1125170861.db2.gz DJXGVFNDUQEQTB-FUHWJXTLSA-N 2 1 274.452 3.608 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccccc2Cl)C[C@@H]1C ZINC000531140605 1125196543 /nfs/dbraw/zinc/19/65/43/1125196543.db2.gz DKIUCFMUTWDKLI-HOCLYGCPSA-N 2 1 294.870 3.687 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccccc2Cl)C[C@@H]1C ZINC000531140605 1125196544 /nfs/dbraw/zinc/19/65/44/1125196544.db2.gz DKIUCFMUTWDKLI-HOCLYGCPSA-N 2 1 294.870 3.687 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccccc2Cl)C[C@@H]1C ZINC000531140605 1125196546 /nfs/dbraw/zinc/19/65/46/1125196546.db2.gz DKIUCFMUTWDKLI-HOCLYGCPSA-N 2 1 294.870 3.687 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@]12C[C@H]1CCCC2 ZINC000879266431 1125205140 /nfs/dbraw/zinc/20/51/40/1125205140.db2.gz UVPURLFMYIHXNC-OIISXLGYSA-N 2 1 275.440 3.530 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000879724357 1125228004 /nfs/dbraw/zinc/22/80/04/1125228004.db2.gz HMOAJEJTTJPMPY-UHFFFAOYSA-N 2 1 296.418 3.585 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000879724357 1125228007 /nfs/dbraw/zinc/22/80/07/1125228007.db2.gz HMOAJEJTTJPMPY-UHFFFAOYSA-N 2 1 296.418 3.585 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)C)cc2)[C@H](C)C1 ZINC000532206260 1125238132 /nfs/dbraw/zinc/23/81/32/1125238132.db2.gz FNEFILGTNSBRNM-QAPCUYQASA-N 2 1 274.452 3.630 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000532205981 1125238528 /nfs/dbraw/zinc/23/85/28/1125238528.db2.gz OAYDRBGURCEZRH-RKVPGOIHSA-N 2 1 288.479 3.802 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C=CCCC1 ZINC000398047828 1125332759 /nfs/dbraw/zinc/33/27/59/1125332759.db2.gz WMKZRXPUYSAUPP-BHIYHBOVSA-N 2 1 284.447 3.595 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C=CCCC1 ZINC000398047828 1125332762 /nfs/dbraw/zinc/33/27/62/1125332762.db2.gz WMKZRXPUYSAUPP-BHIYHBOVSA-N 2 1 284.447 3.595 20 0 CHADMP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@H]1C ZINC000321948421 1125335287 /nfs/dbraw/zinc/33/52/87/1125335287.db2.gz WIZIUYUNGCWGKJ-MNEFBYGVSA-N 2 1 286.463 3.675 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1C ZINC000321947463 1125335417 /nfs/dbraw/zinc/33/54/17/1125335417.db2.gz WEXKFINNXZLEHZ-LULLPPNCSA-N 2 1 286.463 3.533 20 0 CHADMP CC[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398171627 1125336545 /nfs/dbraw/zinc/33/65/45/1125336545.db2.gz IFRUGAZNRJXBNB-JZXOWHBKSA-N 2 1 274.452 3.533 20 0 CHADMP CC[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398171627 1125336548 /nfs/dbraw/zinc/33/65/48/1125336548.db2.gz IFRUGAZNRJXBNB-JZXOWHBKSA-N 2 1 274.452 3.533 20 0 CHADMP C[C@@H]([NH2+]CCC(C)(C)c1ccccc1)c1c[nH+]ccc1N ZINC000643463566 1125342227 /nfs/dbraw/zinc/34/22/27/1125342227.db2.gz GISYSVRLRKIETG-CQSZACIVSA-N 2 1 283.419 3.513 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1sccc1Cl ZINC000883173774 1125374999 /nfs/dbraw/zinc/37/49/99/1125374999.db2.gz SWYPLKHMOWIRES-DGCLKSJQSA-N 2 1 286.872 3.784 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1sccc1Cl ZINC000883173774 1125375001 /nfs/dbraw/zinc/37/50/01/1125375001.db2.gz SWYPLKHMOWIRES-DGCLKSJQSA-N 2 1 286.872 3.784 20 0 CHADMP C/C=C\C[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000626161715 1125377384 /nfs/dbraw/zinc/37/73/84/1125377384.db2.gz IERIWJFJBUFZAV-DSLCMKTCSA-N 2 1 264.457 3.539 20 0 CHADMP C/C=C\C[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000626161715 1125377386 /nfs/dbraw/zinc/37/73/86/1125377386.db2.gz IERIWJFJBUFZAV-DSLCMKTCSA-N 2 1 264.457 3.539 20 0 CHADMP C/C=C\C[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000626161715 1125377387 /nfs/dbraw/zinc/37/73/87/1125377387.db2.gz IERIWJFJBUFZAV-DSLCMKTCSA-N 2 1 264.457 3.539 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)Cc2ccccc2)CC1(C)C ZINC000623423666 1125384182 /nfs/dbraw/zinc/38/41/82/1125384182.db2.gz MYXDLBLERKJQOV-KRWDZBQOSA-N 2 1 288.479 3.718 20 0 CHADMP Cc1ccccc1C1CC([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000040622763 1125388902 /nfs/dbraw/zinc/38/89/02/1125388902.db2.gz ODYWUFWKZWTMEZ-AOCRQIFASA-N 2 1 286.463 3.561 20 0 CHADMP Cc1cc(C)c([C@H](C)[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(C)c1 ZINC000227184500 1125391566 /nfs/dbraw/zinc/39/15/66/1125391566.db2.gz UNNNEIUBKJTPBX-ULQDDVLXSA-N 2 1 274.452 3.732 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+]C2CC(c3ccc(Cl)cc3)C2)C1 ZINC000044533499 1125394101 /nfs/dbraw/zinc/39/41/01/1125394101.db2.gz BULFGHPYQKUGBS-BZOOQXSSSA-N 2 1 292.854 3.517 20 0 CHADMP Cc1c[nH+]c2n1CCC21CC[NH+](C2CCC(C)CC2)CC1 ZINC001168215962 1125415421 /nfs/dbraw/zinc/41/54/21/1125415421.db2.gz YCBLJORTCBBHSQ-UHFFFAOYSA-N 2 1 287.451 3.508 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2csc3ccccc23)CC[N@@H+]1C ZINC000123778613 1125432706 /nfs/dbraw/zinc/43/27/06/1125432706.db2.gz CMQICMXTFKDIOH-HIFRSBDPSA-N 2 1 288.460 3.816 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2csc3ccccc23)CC[N@H+]1C ZINC000123778613 1125432709 /nfs/dbraw/zinc/43/27/09/1125432709.db2.gz CMQICMXTFKDIOH-HIFRSBDPSA-N 2 1 288.460 3.816 20 0 CHADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2csc3ccccc23)CC[NH+]1C ZINC000123778613 1125432710 /nfs/dbraw/zinc/43/27/10/1125432710.db2.gz CMQICMXTFKDIOH-HIFRSBDPSA-N 2 1 288.460 3.816 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2csc3ccccc23)CC[NH+]1C ZINC000123778613 1125432712 /nfs/dbraw/zinc/43/27/12/1125432712.db2.gz CMQICMXTFKDIOH-HIFRSBDPSA-N 2 1 288.460 3.816 20 0 CHADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H](C)c1cccc(OC)c1 ZINC000124929430 1125443116 /nfs/dbraw/zinc/44/31/16/1125443116.db2.gz HTOZYCSPZSAADN-DOTOQJQBSA-N 2 1 290.451 3.562 20 0 CHADMP CC1CC(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000621772117 1129194193 /nfs/dbraw/zinc/19/41/93/1129194193.db2.gz YSFAXZWNHXVZPW-JZRYZNKLSA-N 2 1 286.463 3.533 20 0 CHADMP CC1CC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000621772117 1129194194 /nfs/dbraw/zinc/19/41/94/1129194194.db2.gz YSFAXZWNHXVZPW-JZRYZNKLSA-N 2 1 286.463 3.533 20 0 CHADMP CSC(C)(C)C[C@@H](C)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001258331425 1129208691 /nfs/dbraw/zinc/20/86/91/1129208691.db2.gz NXXMQGYDJBOGJS-HUUCEWRRSA-N 2 1 286.529 3.748 20 0 CHADMP CC1=C(C)C[C@H]([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000638377124 1129256336 /nfs/dbraw/zinc/25/63/36/1129256336.db2.gz NOWUSSCJNVKLQT-BSDSXHPESA-N 2 1 276.468 3.728 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000638675263 1129265534 /nfs/dbraw/zinc/26/55/34/1129265534.db2.gz RVRFOQVGPVDSMH-RTBURBONSA-N 2 1 297.446 3.755 20 0 CHADMP C[C@H](F)CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639210586 1129293062 /nfs/dbraw/zinc/29/30/62/1129293062.db2.gz MWIVDHUNPXJRHE-YXJHDRRASA-N 2 1 290.426 3.692 20 0 CHADMP C[C@H](F)CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639210586 1129293064 /nfs/dbraw/zinc/29/30/64/1129293064.db2.gz MWIVDHUNPXJRHE-YXJHDRRASA-N 2 1 290.426 3.692 20 0 CHADMP C[C@H](F)CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639210577 1129293328 /nfs/dbraw/zinc/29/33/28/1129293328.db2.gz MWIVDHUNPXJRHE-LESCRADOSA-N 2 1 290.426 3.692 20 0 CHADMP C[C@H](F)CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639210577 1129293331 /nfs/dbraw/zinc/29/33/31/1129293331.db2.gz MWIVDHUNPXJRHE-LESCRADOSA-N 2 1 290.426 3.692 20 0 CHADMP CC1=C(C)C[C@H]([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000639251493 1129297218 /nfs/dbraw/zinc/29/72/18/1129297218.db2.gz YUPCLYVDHDWZED-VQTPCSAVSA-N 2 1 276.468 3.726 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206606314 1129381190 /nfs/dbraw/zinc/38/11/90/1129381190.db2.gz KDKVKLFNGQJVAA-SJORKVTESA-N 2 1 266.473 3.820 20 0 CHADMP CCC[C@H]([NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)c1ccccn1 ZINC000643453412 1129442341 /nfs/dbraw/zinc/44/23/41/1129442341.db2.gz VRLKWNFZBFUEBJ-JZXOWHBKSA-N 2 1 289.467 3.823 20 0 CHADMP C[C@H]([NH2+][C@H]1CCC[C@@H](c2ccccc2)C1)c1c[nH+]ccc1N ZINC000643485040 1129442917 /nfs/dbraw/zinc/44/29/17/1129442917.db2.gz BXTJXZTXHRFVBB-UAGQMJEPSA-N 2 1 295.430 3.871 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccc2ccccc21 ZINC000643505813 1129443473 /nfs/dbraw/zinc/44/34/73/1129443473.db2.gz VLBKOWJKTZZEFJ-MAUKXSAKSA-N 2 1 268.404 3.633 20 0 CHADMP CC[C@H](Cc1cccs1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000643511445 1129443983 /nfs/dbraw/zinc/44/39/83/1129443983.db2.gz PVYLKBHRKNATAK-ZBFHGGJFSA-N 2 1 280.481 3.566 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cc1F ZINC000643546160 1129445218 /nfs/dbraw/zinc/44/52/18/1129445218.db2.gz JUFCEHIEFCDDNE-CZUORRHYSA-N 2 1 294.389 3.680 20 0 CHADMP CC1(C)C[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647174995 1129554648 /nfs/dbraw/zinc/55/46/48/1129554648.db2.gz TZCIGLKCGFGCHQ-DLBZAZTESA-N 2 1 284.447 3.572 20 0 CHADMP CC1(C)C[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647174995 1129554649 /nfs/dbraw/zinc/55/46/49/1129554649.db2.gz TZCIGLKCGFGCHQ-DLBZAZTESA-N 2 1 284.447 3.572 20 0 CHADMP C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647180530 1129554891 /nfs/dbraw/zinc/55/48/91/1129554891.db2.gz GBOXCZZWKDNIJO-BHIYHBOVSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647180530 1129554893 /nfs/dbraw/zinc/55/48/93/1129554893.db2.gz GBOXCZZWKDNIJO-BHIYHBOVSA-N 2 1 298.474 3.962 20 0 CHADMP CC(C)c1ccc(CC[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647482427 1129578570 /nfs/dbraw/zinc/57/85/70/1129578570.db2.gz DXUWIRVNLFVNGA-UHFFFAOYSA-N 2 1 286.463 3.569 20 0 CHADMP Clc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647543222 1129581064 /nfs/dbraw/zinc/58/10/64/1129581064.db2.gz JQVZKISHFQNFTH-OLZOCXBDSA-N 2 1 298.883 3.613 20 0 CHADMP CC(C)C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccccc1 ZINC001246185176 1131383380 /nfs/dbraw/zinc/38/33/80/1131383380.db2.gz ACLFZSIBGQSYLC-IRXDYDNUSA-N 2 1 260.425 3.506 20 0 CHADMP Fc1cccc(C[N@@H+](CCCC2CC[NH2+]CC2)C2CC2)c1 ZINC000647875037 1129586806 /nfs/dbraw/zinc/58/68/06/1129586806.db2.gz SJGZMPCATWAICS-UHFFFAOYSA-N 2 1 290.426 3.570 20 0 CHADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)c1cc2ccccc2o1 ZINC000647882244 1129587245 /nfs/dbraw/zinc/58/72/45/1129587245.db2.gz ZVFNFTKSJZXHIE-LSDHHAIUSA-N 2 1 286.419 3.815 20 0 CHADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000253194828 1129621526 /nfs/dbraw/zinc/62/15/26/1129621526.db2.gz QUESQWWBKTYQLW-DUVNUKRYSA-N 2 1 280.843 3.708 20 0 CHADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3ccccc3)o2)C1 ZINC000098173207 1129668558 /nfs/dbraw/zinc/66/85/58/1129668558.db2.gz WNKPMCNWFFWYJP-INIZCTEOSA-N 2 1 298.430 3.768 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3ccccc3)o2)C1 ZINC000098173207 1129668560 /nfs/dbraw/zinc/66/85/60/1129668560.db2.gz WNKPMCNWFFWYJP-INIZCTEOSA-N 2 1 298.430 3.768 20 0 CHADMP CCC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1F ZINC001169102327 1129697454 /nfs/dbraw/zinc/69/74/54/1129697454.db2.gz ZTTGKRFVMXUPTJ-KRXQYRFLSA-N 2 1 290.426 3.882 20 0 CHADMP CCC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1F ZINC001169102327 1129697456 /nfs/dbraw/zinc/69/74/56/1129697456.db2.gz ZTTGKRFVMXUPTJ-KRXQYRFLSA-N 2 1 290.426 3.882 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCc3cc(Cl)ccc31)C2 ZINC001169099780 1129697635 /nfs/dbraw/zinc/69/76/35/1129697635.db2.gz VNPROTZOIJTOHE-MPTYRVRUSA-N 2 1 290.838 3.542 20 0 CHADMP CCC(CC)([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001169089989 1129699221 /nfs/dbraw/zinc/69/92/21/1129699221.db2.gz HHPPXNJLQSGMAY-NNZMDNLPSA-N 2 1 286.463 3.917 20 0 CHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H]1c1cccs1)C2 ZINC001169139945 1129700543 /nfs/dbraw/zinc/70/05/43/1129700543.db2.gz GJEIZDZTDOBZQW-YJNKXOJESA-N 2 1 276.449 3.510 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H]1c1cccs1)C2 ZINC001169139945 1129700544 /nfs/dbraw/zinc/70/05/44/1129700544.db2.gz GJEIZDZTDOBZQW-YJNKXOJESA-N 2 1 276.449 3.510 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]1c1cccs1)C2 ZINC001169139945 1129700546 /nfs/dbraw/zinc/70/05/46/1129700546.db2.gz GJEIZDZTDOBZQW-YJNKXOJESA-N 2 1 276.449 3.510 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H]1c1cccs1)C2 ZINC001169139945 1129700547 /nfs/dbraw/zinc/70/05/47/1129700547.db2.gz GJEIZDZTDOBZQW-YJNKXOJESA-N 2 1 276.449 3.510 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc3ccccc3s1)C2 ZINC001169091196 1129700638 /nfs/dbraw/zinc/70/06/38/1129700638.db2.gz PDXQRNGXWVBDJP-QDMKHBRRSA-N 2 1 286.444 3.616 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCCCc3ccccc31)C2 ZINC001169122765 1129700703 /nfs/dbraw/zinc/70/07/03/1129700703.db2.gz CZSXDYNMWXVQAT-ZMMAXQRCSA-N 2 1 284.447 3.669 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@@H](c3ccccc3)C1)C2 ZINC001169125323 1129701282 /nfs/dbraw/zinc/70/12/82/1129701282.db2.gz ZARAUTZXIKWTFU-LTFPLMDUSA-N 2 1 298.474 3.928 20 0 CHADMP CCCCC1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169129187 1129701563 /nfs/dbraw/zinc/70/15/63/1129701563.db2.gz HSJKROKBQDHXAF-FVQHAEBGSA-N 2 1 264.457 3.514 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCC1CCCCC1)C2 ZINC001169113849 1129702948 /nfs/dbraw/zinc/70/29/48/1129702948.db2.gz VALDMTNXAGJYMO-BJWYYQGGSA-N 2 1 264.457 3.562 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H](c3ccccc3)CC1)C2 ZINC001169144648 1129704092 /nfs/dbraw/zinc/70/40/92/1129704092.db2.gz LIOBXGLKHJMTDK-ZRNYENFQSA-N 2 1 298.474 3.881 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](c3ccccc3)CC1)C2 ZINC001169144648 1129704096 /nfs/dbraw/zinc/70/40/96/1129704096.db2.gz LIOBXGLKHJMTDK-ZRNYENFQSA-N 2 1 298.474 3.881 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](c3ccccc3)CC1)C2 ZINC001169144648 1129704100 /nfs/dbraw/zinc/70/41/00/1129704100.db2.gz LIOBXGLKHJMTDK-ZRNYENFQSA-N 2 1 298.474 3.881 20 0 CHADMP C[N@H+]([C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C)C12CC3CC(CC(C3)C1)C2 ZINC001169142408 1129704848 /nfs/dbraw/zinc/70/48/48/1129704848.db2.gz UFTSSYUPAJIIGA-AJTJSFGISA-N 2 1 288.479 3.512 20 0 CHADMP C[N@@H+]([C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C)C12CC3CC(CC(C3)C1)C2 ZINC001169142408 1129704850 /nfs/dbraw/zinc/70/48/50/1129704850.db2.gz UFTSSYUPAJIIGA-AJTJSFGISA-N 2 1 288.479 3.512 20 0 CHADMP C[NH+]([C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C12CC3CC(CC(C3)C1)C2 ZINC001169142408 1129704851 /nfs/dbraw/zinc/70/48/51/1129704851.db2.gz UFTSSYUPAJIIGA-AJTJSFGISA-N 2 1 288.479 3.512 20 0 CHADMP C[NH+]([C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C12CC3CC(CC(C3)C1)C2 ZINC001169142408 1129704854 /nfs/dbraw/zinc/70/48/54/1129704854.db2.gz UFTSSYUPAJIIGA-AJTJSFGISA-N 2 1 288.479 3.512 20 0 CHADMP Cc1cc[nH+]c(C)c1N[C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169150070 1129705310 /nfs/dbraw/zinc/70/53/10/1129705310.db2.gz AQFILPAEIKYAOQ-PBHICJAKSA-N 2 1 275.440 3.654 20 0 CHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](Cc1ccccc1)C1CCC1)C2 ZINC001169152665 1129705448 /nfs/dbraw/zinc/70/54/48/1129705448.db2.gz CJQFFQXCWPFSKV-REPLKXPHSA-N 2 1 284.447 3.666 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](Cc1ccccc1)C1CCC1)C2 ZINC001169152665 1129705449 /nfs/dbraw/zinc/70/54/49/1129705449.db2.gz CJQFFQXCWPFSKV-REPLKXPHSA-N 2 1 284.447 3.666 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+](Cc1ccccc1)C1CCC1)C2 ZINC001169152665 1129705451 /nfs/dbraw/zinc/70/54/51/1129705451.db2.gz CJQFFQXCWPFSKV-REPLKXPHSA-N 2 1 284.447 3.666 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+](Cc1ccccc1)C1CCC1)C2 ZINC001169152665 1129705452 /nfs/dbraw/zinc/70/54/52/1129705452.db2.gz CJQFFQXCWPFSKV-REPLKXPHSA-N 2 1 284.447 3.666 20 0 CHADMP CC1(C)C[C@H](Nc2ccc(C3CC3)c[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001169150385 1129705468 /nfs/dbraw/zinc/70/54/68/1129705468.db2.gz CDAXNJKDEMKHEF-YJBOKZPZSA-N 2 1 287.451 3.915 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](c2cccc(F)c2)C(C)C)CC1 ZINC001169229884 1129710268 /nfs/dbraw/zinc/71/02/68/1129710268.db2.gz JJDZZEDTAPEQOS-KRWDZBQOSA-N 2 1 278.415 3.597 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](CC(C)C)c2ccc(F)cc2)CC1 ZINC001169229857 1129710860 /nfs/dbraw/zinc/71/08/60/1129710860.db2.gz HJALNXRWVBMBDI-SFHVURJKSA-N 2 1 292.442 3.987 20 0 CHADMP CC[NH+]1CCC([N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC001169265700 1129711228 /nfs/dbraw/zinc/71/12/28/1129711228.db2.gz PPXGEOINFBXEHV-HNNXBMFYSA-N 2 1 292.854 3.614 20 0 CHADMP CC[NH+]1CCC([N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC001169265700 1129711232 /nfs/dbraw/zinc/71/12/32/1129711232.db2.gz PPXGEOINFBXEHV-HNNXBMFYSA-N 2 1 292.854 3.614 20 0 CHADMP CC[C@H]([NH2+]Cc1cccc2ccsc21)[C@@H]1CCC[NH2+]1 ZINC000650740887 1129720724 /nfs/dbraw/zinc/72/07/24/1129720724.db2.gz TYCLYERREKQDQT-GJZGRUSLSA-N 2 1 274.433 3.522 20 0 CHADMP CC(C)Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC001206011512 1129726458 /nfs/dbraw/zinc/72/64/58/1129726458.db2.gz CZTDFLNYJSKZSA-VQIMIIECSA-N 2 1 288.479 3.692 20 0 CHADMP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000651491992 1129740929 /nfs/dbraw/zinc/74/09/29/1129740929.db2.gz FVTSBRICBUBYKG-DNVCBOLYSA-N 2 1 286.463 3.774 20 0 CHADMP CC[C@]1(C)CCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000651705935 1129745409 /nfs/dbraw/zinc/74/54/09/1129745409.db2.gz NGARFHVRZSPZMU-GVDBMIGSSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1cc(Cl)cc(Cl)c1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246198970 1131395039 /nfs/dbraw/zinc/39/50/39/1131395039.db2.gz RPSAVYFWEHCPEF-ITGUQSILSA-N 2 1 299.245 3.674 20 0 CHADMP CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001258789115 1129758981 /nfs/dbraw/zinc/75/89/81/1129758981.db2.gz VWRDCMHZEQLDQE-QAETUUGQSA-N 2 1 268.489 3.910 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000653557144 1129784087 /nfs/dbraw/zinc/78/40/87/1129784087.db2.gz DQCOFVPSITWYOV-OAHLLOKOSA-N 2 1 277.456 3.501 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000653557144 1129784089 /nfs/dbraw/zinc/78/40/89/1129784089.db2.gz DQCOFVPSITWYOV-OAHLLOKOSA-N 2 1 277.456 3.501 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCC(F)(F)[C@H](F)C1 ZINC001258908252 1129845447 /nfs/dbraw/zinc/84/54/47/1129845447.db2.gz UANVWSBSUSGFOG-ZIAGYGMSSA-N 2 1 294.405 3.566 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@@H]3CC4CCC3CC4)C2)cc1 ZINC000381906268 1129853716 /nfs/dbraw/zinc/85/37/16/1129853716.db2.gz DZXPIJUQJPJMEM-XUUQEUKMSA-N 2 1 298.474 3.677 20 0 CHADMP C[C@H](C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000769317940 1129902055 /nfs/dbraw/zinc/90/20/55/1129902055.db2.gz BTIXADQTLBHAHA-QGZVFWFLSA-N 2 1 296.458 3.984 20 0 CHADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001461101585 1129903990 /nfs/dbraw/zinc/90/39/90/1129903990.db2.gz VCXKJWIPHDGIIT-OAGGEKHMSA-N 2 1 280.500 3.911 20 0 CHADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001461101585 1129903991 /nfs/dbraw/zinc/90/39/91/1129903991.db2.gz VCXKJWIPHDGIIT-OAGGEKHMSA-N 2 1 280.500 3.911 20 0 CHADMP C[C@@H]([NH2+]CCSC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000801937936 1129961822 /nfs/dbraw/zinc/96/18/22/1129961822.db2.gz BQAVTNUFJMUZMR-HUUCEWRRSA-N 2 1 298.540 3.761 20 0 CHADMP CC[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000902414526 1130008495 /nfs/dbraw/zinc/00/84/95/1130008495.db2.gz CILUGUOVHPFZNK-LBPRGKRZSA-N 2 1 273.207 3.525 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]C2(C3CCCCC3)CC2)CC1(C)C ZINC000902727643 1130045872 /nfs/dbraw/zinc/04/58/72/1130045872.db2.gz ZAMLYBWCKRNCEY-OAHLLOKOSA-N 2 1 264.457 3.562 20 0 CHADMP FC1(F)CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903167709 1130122752 /nfs/dbraw/zinc/12/27/52/1130122752.db2.gz OPOZKAIOMZNKIN-WYQXTGKHSA-N 2 1 298.421 3.559 20 0 CHADMP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000903886262 1130209187 /nfs/dbraw/zinc/20/91/87/1130209187.db2.gz OFVXZPUBBUZGAM-LSDHHAIUSA-N 2 1 282.378 3.586 20 0 CHADMP [NH3+][C@@H](CC(F)F)C[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000903886262 1130209192 /nfs/dbraw/zinc/20/91/92/1130209192.db2.gz OFVXZPUBBUZGAM-LSDHHAIUSA-N 2 1 282.378 3.586 20 0 CHADMP Cc1cc(F)cc(Cl)c1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206573235 1130253662 /nfs/dbraw/zinc/25/36/62/1130253662.db2.gz KLYDBHBHLRQKAE-MRXNPFEDSA-N 2 1 298.833 3.738 20 0 CHADMP Cc1cc(F)cc(Cl)c1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206573235 1130253667 /nfs/dbraw/zinc/25/36/67/1130253667.db2.gz KLYDBHBHLRQKAE-MRXNPFEDSA-N 2 1 298.833 3.738 20 0 CHADMP Cc1c(F)ccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c1Cl ZINC001206575365 1130266274 /nfs/dbraw/zinc/26/62/74/1130266274.db2.gz WOPOEVUCTKVPLH-INIZCTEOSA-N 2 1 298.833 3.738 20 0 CHADMP Cc1c(F)ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1Cl ZINC001206575365 1130266278 /nfs/dbraw/zinc/26/62/78/1130266278.db2.gz WOPOEVUCTKVPLH-INIZCTEOSA-N 2 1 298.833 3.738 20 0 CHADMP C[C@H]1CC[C@H]([NH+]2CCC([NH3+])(c3cccc(Cl)c3)CC2)C1 ZINC001170119608 1130275611 /nfs/dbraw/zinc/27/56/11/1130275611.db2.gz ZCZVSHRMADFLMK-BBRMVZONSA-N 2 1 292.854 3.778 20 0 CHADMP C[C@H]([NH3+])c1ccc(C2=CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001240388712 1130286554 /nfs/dbraw/zinc/28/65/54/1130286554.db2.gz SHHTVEUBNNYHHM-INIZCTEOSA-N 2 1 292.426 3.996 20 0 CHADMP c1ccc2cc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)ccc2c1 ZINC000677237656 1130297006 /nfs/dbraw/zinc/29/70/06/1130297006.db2.gz MNCUIKFSQDPNGH-PMACEKPBSA-N 2 1 294.442 3.599 20 0 CHADMP Cc1ccccc1[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000677240280 1130297683 /nfs/dbraw/zinc/29/76/83/1130297683.db2.gz FCTATHUQNBONSY-ZIFCJYIRSA-N 2 1 284.447 3.663 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCc2ccccc2[C@@H]1C(C)C ZINC000677820088 1130334074 /nfs/dbraw/zinc/33/40/74/1130334074.db2.gz GDAUGICXPFMQKO-IBGZPJMESA-N 2 1 297.446 3.837 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCc2ccccc2[C@@H]1C(C)C ZINC000677820088 1130334081 /nfs/dbraw/zinc/33/40/81/1130334081.db2.gz GDAUGICXPFMQKO-IBGZPJMESA-N 2 1 297.446 3.837 20 0 CHADMP CC[C@H]1C[C@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170197482 1130461043 /nfs/dbraw/zinc/46/10/43/1130461043.db2.gz XAYZPZXSCTTXPU-VQHPVUNQSA-N 2 1 296.499 3.562 20 0 CHADMP CC[C@H]1C[C@@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170197477 1130461824 /nfs/dbraw/zinc/46/18/24/1130461824.db2.gz XAYZPZXSCTTXPU-QAETUUGQSA-N 2 1 296.499 3.562 20 0 CHADMP C[C@@H]([NH2+]C[C@@H](C)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679627757 1130546870 /nfs/dbraw/zinc/54/68/70/1130546870.db2.gz WGVDMRTVJRYRSJ-MDZRGWNJSA-N 2 1 286.463 3.533 20 0 CHADMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001234991403 1130700300 /nfs/dbraw/zinc/70/03/00/1130700300.db2.gz FKBHSGIOLUAQDQ-LJQANCHMSA-N 2 1 286.463 3.560 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001234997680 1130701832 /nfs/dbraw/zinc/70/18/32/1130701832.db2.gz DJUJVGCXTUHVFR-QGZVFWFLSA-N 2 1 292.854 3.532 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001234997680 1130701838 /nfs/dbraw/zinc/70/18/38/1130701838.db2.gz DJUJVGCXTUHVFR-QGZVFWFLSA-N 2 1 292.854 3.532 20 0 CHADMP Cc1ccc([C@H](C)CC[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)o1 ZINC001235041885 1130704150 /nfs/dbraw/zinc/70/41/50/1130704150.db2.gz UPJVQLRBCLVELX-CRAIPNDOSA-N 2 1 290.451 3.690 20 0 CHADMP c1ccc(CCCC[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1 ZINC001235039719 1130704988 /nfs/dbraw/zinc/70/49/88/1130704988.db2.gz HLFQCZYOEOXMBA-LJQANCHMSA-N 2 1 286.463 3.617 20 0 CHADMP c1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c2c(c1)CCCC2 ZINC001235039067 1130705319 /nfs/dbraw/zinc/70/53/19/1130705319.db2.gz MUGKRIBPSYOCKW-HXUWFJFHSA-N 2 1 298.474 3.674 20 0 CHADMP c1cc2cc(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)CC3)ccc2o1 ZINC001235043888 1130706633 /nfs/dbraw/zinc/70/66/33/1130706633.db2.gz INVQPIFACSRPPU-SFHVURJKSA-N 2 1 284.403 3.541 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001235093942 1130709997 /nfs/dbraw/zinc/70/99/97/1130709997.db2.gz SUNBPQRBNVTRDD-UHFFFAOYSA-N 2 1 286.463 3.605 20 0 CHADMP Cc1ccc(C)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235152593 1130714904 /nfs/dbraw/zinc/71/49/04/1130714904.db2.gz OOXGKCPEYSNWGG-LJQANCHMSA-N 2 1 286.463 3.658 20 0 CHADMP Cc1cccc(C)c1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235160520 1130715780 /nfs/dbraw/zinc/71/57/80/1130715780.db2.gz XPILKEHFAHLQPN-IBGZPJMESA-N 2 1 286.463 3.658 20 0 CHADMP CCCc1ccc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)cc1 ZINC001235166970 1130715887 /nfs/dbraw/zinc/71/58/87/1130715887.db2.gz DHRWZJVQPSUBQI-LJQANCHMSA-N 2 1 286.463 3.747 20 0 CHADMP CCCc1ccc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)cc1 ZINC001235166970 1130715891 /nfs/dbraw/zinc/71/58/91/1130715891.db2.gz DHRWZJVQPSUBQI-LJQANCHMSA-N 2 1 286.463 3.747 20 0 CHADMP Clc1ccccc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235156046 1130716561 /nfs/dbraw/zinc/71/65/61/1130716561.db2.gz ZSTVDWSBXYCKAJ-KRWDZBQOSA-N 2 1 292.854 3.694 20 0 CHADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1C ZINC001235160708 1130716757 /nfs/dbraw/zinc/71/67/57/1130716757.db2.gz YSGHKJRPJQTCNL-IBGZPJMESA-N 2 1 286.463 3.658 20 0 CHADMP Cc1[nH]c2ccccc2c1C[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235175935 1130720002 /nfs/dbraw/zinc/72/00/02/1130720002.db2.gz YFLLAMYOKMXVSL-LJQANCHMSA-N 2 1 297.446 3.584 20 0 CHADMP Cc1[nH]c2ccccc2c1C[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235175935 1130720008 /nfs/dbraw/zinc/72/00/08/1130720008.db2.gz YFLLAMYOKMXVSL-LJQANCHMSA-N 2 1 297.446 3.584 20 0 CHADMP Cc1ccc([C@@H](C)CC[N@H+]2CCCCC23CC[NH2+]CC3)o1 ZINC001235191190 1130720510 /nfs/dbraw/zinc/72/05/10/1130720510.db2.gz QJMMFGFBTXKAPB-HNNXBMFYSA-N 2 1 290.451 3.690 20 0 CHADMP CC1(C[N@H+]2CCCCC23CC[NH2+]CC3)CCCCC1 ZINC001235189845 1130721545 /nfs/dbraw/zinc/72/15/45/1130721545.db2.gz DTZCHOFTHHHKAU-UHFFFAOYSA-N 2 1 264.457 3.565 20 0 CHADMP CCCc1ccc(C[N@H+]2CCCCC23CC[NH2+]CC3)s1 ZINC001235191320 1130723263 /nfs/dbraw/zinc/72/32/63/1130723263.db2.gz RPCMGIIKLHQCAA-UHFFFAOYSA-N 2 1 292.492 3.809 20 0 CHADMP CC(C)=CCCC1=CC[C@H](C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])CC1 ZINC001235257003 1130728919 /nfs/dbraw/zinc/72/89/19/1130728919.db2.gz WAJCJHUFGAKGBI-VJANTYMQSA-N 2 1 288.479 3.881 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001235394192 1130738266 /nfs/dbraw/zinc/73/82/66/1130738266.db2.gz CGCNPCAEQCBWHE-GVDBMIGSSA-N 2 1 296.474 3.768 20 0 CHADMP C[C@H](C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC001235422591 1130742313 /nfs/dbraw/zinc/74/23/13/1130742313.db2.gz CTKNXKAOZIEMOO-QRQLOZEOSA-N 2 1 286.463 3.502 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1C ZINC001235429782 1130742973 /nfs/dbraw/zinc/74/29/73/1130742973.db2.gz ZUCCMWSFWXTJGD-MOPGFXCFSA-N 2 1 286.463 3.515 20 0 CHADMP Cc1ccccc1[C@H]1CCC[N@H+]1Cc1cccc(C[NH3+])c1 ZINC001235444805 1130746231 /nfs/dbraw/zinc/74/62/31/1130746231.db2.gz RWUPJHCDGTYWKR-LJQANCHMSA-N 2 1 280.415 3.791 20 0 CHADMP CCCCCCc1csc(C[N@@H+](C)CCC[NH3+])c1 ZINC001235443549 1130746360 /nfs/dbraw/zinc/74/63/60/1130746360.db2.gz NVEXBYGZDZEKCK-UHFFFAOYSA-N 2 1 268.470 3.652 20 0 CHADMP C[N@@H+](Cc1ccccc1-c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001235466616 1130747194 /nfs/dbraw/zinc/74/71/94/1130747194.db2.gz PZSDBBXFMOXHTF-UHFFFAOYSA-N 2 1 298.405 3.677 20 0 CHADMP C[N@H+](Cc1ccccc1Cl)CC1CC2(C1)CC[NH2+]CC2 ZINC001235664876 1130763782 /nfs/dbraw/zinc/76/37/82/1130763782.db2.gz ZDMQFDOOFYACCU-UHFFFAOYSA-N 2 1 292.854 3.552 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3CCC[C@@H](C[NH3+])C3)cc2)c1 ZINC001235677120 1130765321 /nfs/dbraw/zinc/76/53/21/1130765321.db2.gz YLYACKINFIASGZ-SFHVURJKSA-N 2 1 294.442 3.833 20 0 CHADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001235675534 1130766623 /nfs/dbraw/zinc/76/66/23/1130766623.db2.gz ZDHQMPZNYNXOGR-INIZCTEOSA-N 2 1 298.405 3.663 20 0 CHADMP C[C@@H](CC[N@@H+](C)CCC1CC[NH2+]CC1)CC(C)(C)C ZINC001235712518 1130771707 /nfs/dbraw/zinc/77/17/07/1130771707.db2.gz BNQAQJIABNHTDM-HNNXBMFYSA-N 2 1 268.489 3.770 20 0 CHADMP CC[NH2+]C1CC[NH+](Cc2ccc(F)c3ccccc23)CC1 ZINC001235727021 1130772751 /nfs/dbraw/zinc/77/27/51/1130772751.db2.gz VMFQALPKOVUTEB-UHFFFAOYSA-N 2 1 286.394 3.553 20 0 CHADMP CCCCc1ccc(C[NH+]2CCC([NH2+]CC)CC2)cc1 ZINC001235725509 1130773668 /nfs/dbraw/zinc/77/36/68/1130773668.db2.gz IYJOPEMMIBFQFF-UHFFFAOYSA-N 2 1 274.452 3.603 20 0 CHADMP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1cccc2c3ccccc3oc21 ZINC001235724191 1130773925 /nfs/dbraw/zinc/77/39/25/1130773925.db2.gz FRYXRAOWMVVDAS-AWEZNQCLSA-N 2 1 280.371 3.509 20 0 CHADMP [NH3+]C[C@@H]1CCC[N@H+]1Cc1cccc2c3ccccc3oc21 ZINC001235724191 1130773929 /nfs/dbraw/zinc/77/39/29/1130773929.db2.gz FRYXRAOWMVVDAS-AWEZNQCLSA-N 2 1 280.371 3.509 20 0 CHADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)ccc1Oc1ccccc1 ZINC001235749591 1130775830 /nfs/dbraw/zinc/77/58/30/1130775830.db2.gz IJJUXKQOPLIACQ-KRWDZBQOSA-N 2 1 296.414 3.568 20 0 CHADMP CC(C)=CCCC1=CC[C@@H](C[N@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC001235751230 1130775925 /nfs/dbraw/zinc/77/59/25/1130775925.db2.gz XHZLKCGVLVOYFH-MSOLQXFVSA-N 2 1 276.468 3.740 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000693748658 1130777262 /nfs/dbraw/zinc/77/72/62/1130777262.db2.gz BAJRRIADTFRPLI-QRQLOZEOSA-N 2 1 298.474 3.677 20 0 CHADMP CC1([NH3+])CC[NH+](Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC001235748109 1130777315 /nfs/dbraw/zinc/77/73/15/1130777315.db2.gz IQWGGTMSGXOMEG-UHFFFAOYSA-N 2 1 296.414 3.792 20 0 CHADMP [NH3+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC12CC3CC(CC(C3)C1)C2 ZINC001235812402 1130781569 /nfs/dbraw/zinc/78/15/69/1130781569.db2.gz VBEMCZQPQDPYGW-NAKGGRRYSA-N 2 1 288.479 3.547 20 0 CHADMP Cc1cccc(-c2ccc(C[N@@H+](C)C[C@@H]3CC[NH2+]C3)cc2)c1 ZINC001235842915 1130786457 /nfs/dbraw/zinc/78/64/57/1130786457.db2.gz UETMOFNUTBATMQ-GOSISDBHSA-N 2 1 294.442 3.703 20 0 CHADMP C[N@H+](Cc1ccc2oc3ccccc3c2c1)C[C@@H]1CC[NH2+]C1 ZINC001235842348 1130786598 /nfs/dbraw/zinc/78/65/98/1130786598.db2.gz OGXBGLOLJAWLJY-OAHLLOKOSA-N 2 1 294.398 3.627 20 0 CHADMP CC(C)c1ccc(C[C@H](C)C[N@@H+](C)C[C@@H]2CC[NH2+]C2)cc1 ZINC001235840885 1130787030 /nfs/dbraw/zinc/78/70/30/1130787030.db2.gz CJAJUROISJASNJ-FUHWJXTLSA-N 2 1 288.479 3.530 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3C[C@H]([NH3+])CC[C@@H]3C)cc2)c1 ZINC001235902467 1130800717 /nfs/dbraw/zinc/80/07/17/1130800717.db2.gz GRVFMOQYQGTBKJ-OXJNMPFZSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1cccc(-c2ccc(C[N@@H+]3C[C@H]([NH3+])CC[C@@H]3C)cc2)c1 ZINC001235902467 1130800722 /nfs/dbraw/zinc/80/07/22/1130800722.db2.gz GRVFMOQYQGTBKJ-OXJNMPFZSA-N 2 1 294.442 3.974 20 0 CHADMP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccccc1-c1ccccc1 ZINC001235906871 1130803827 /nfs/dbraw/zinc/80/38/27/1130803827.db2.gz OZXZIDCWXSTSBK-YJBOKZPZSA-N 2 1 280.415 3.665 20 0 CHADMP C[C@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccccc1-c1ccccc1 ZINC001235906871 1130803831 /nfs/dbraw/zinc/80/38/31/1130803831.db2.gz OZXZIDCWXSTSBK-YJBOKZPZSA-N 2 1 280.415 3.665 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@H]([NH3+])CC[C@H]3C)cc2)cc1 ZINC001235909042 1130805301 /nfs/dbraw/zinc/80/53/01/1130805301.db2.gz YUSLWVCFDCSTLJ-OXQOHEQNSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H]([NH3+])CC[C@H]3C)cc2)cc1 ZINC001235909042 1130805305 /nfs/dbraw/zinc/80/53/05/1130805305.db2.gz YUSLWVCFDCSTLJ-OXQOHEQNSA-N 2 1 294.442 3.974 20 0 CHADMP c1cc(C2CCCCC2)ccc1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235934781 1130810997 /nfs/dbraw/zinc/81/09/97/1130810997.db2.gz ALEYGGSCMXRREM-UXHICEINSA-N 2 1 298.474 3.776 20 0 CHADMP CCCCc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)s1 ZINC001235950323 1130814716 /nfs/dbraw/zinc/81/47/16/1130814716.db2.gz ARNHRIZWVYSQIV-CQSZACIVSA-N 2 1 280.481 3.522 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235956778 1130816253 /nfs/dbraw/zinc/81/62/53/1130816253.db2.gz HZCRMVMUDQJLBK-MRXNPFEDSA-N 2 1 282.431 3.580 20 0 CHADMP c1ccc([C@@H]2CCC[N@H+](CC[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235960627 1130818113 /nfs/dbraw/zinc/81/81/13/1130818113.db2.gz VJJGNEOBGAJUKD-MOPGFXCFSA-N 2 1 286.463 3.788 20 0 CHADMP CCc1ccc(C[N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC001235960598 1130819201 /nfs/dbraw/zinc/81/92/01/1130819201.db2.gz URDRHCSFVZROMY-UHFFFAOYSA-N 2 1 294.442 3.527 20 0 CHADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cccc(-c3ccsc3)c1)C2 ZINC001235960223 1130819551 /nfs/dbraw/zinc/81/95/51/1130819551.db2.gz RZHQBELTOGTWCR-ALXJQNPVSA-N 2 1 298.455 3.584 20 0 CHADMP C[N@@H+](C/C=C/c1ccccc1)Cc1cc2c(s1)CC[NH2+]C2 ZINC001235964104 1130819830 /nfs/dbraw/zinc/81/98/30/1130819830.db2.gz ZFWVOVZVPPWNAM-VMPITWQZSA-N 2 1 298.455 3.539 20 0 CHADMP Cc1c(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cccc1-c1ccccc1 ZINC001235990957 1130824374 /nfs/dbraw/zinc/82/43/74/1130824374.db2.gz NLKVRGQLEHUKSJ-UYAOXDASSA-N 2 1 292.426 3.585 20 0 CHADMP Cc1c(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cccc1-c1ccccc1 ZINC001235990957 1130824380 /nfs/dbraw/zinc/82/43/80/1130824380.db2.gz NLKVRGQLEHUKSJ-UYAOXDASSA-N 2 1 292.426 3.585 20 0 CHADMP Clc1ccc(C[NH+]2CC3(C2)CCC[NH2+]CC3)cc1Cl ZINC001236007397 1130832759 /nfs/dbraw/zinc/83/27/59/1130832759.db2.gz ATFNEKKJNZMLCL-UHFFFAOYSA-N 2 1 299.245 3.569 20 0 CHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2C)C1 ZINC001236067899 1130845461 /nfs/dbraw/zinc/84/54/61/1130845461.db2.gz RKLHDEDMIFYFQW-QGZVFWFLSA-N 2 1 294.442 3.703 20 0 CHADMP C[N@@H+](CCCC[NH3+])Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001236142186 1130874655 /nfs/dbraw/zinc/87/46/55/1130874655.db2.gz SDIWEBPLVSKGAG-UHFFFAOYSA-N 2 1 287.451 3.636 20 0 CHADMP Clc1cccc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)c1 ZINC001236152184 1130875701 /nfs/dbraw/zinc/87/57/01/1130875701.db2.gz OWSRHTQXDHXPAV-RHSMWYFYSA-N 2 1 292.854 3.867 20 0 CHADMP COc1ccc2cc(C[N@H+](C)[C@@H]3CCCC[C@H]3[NH3+])ccc2c1 ZINC001236210673 1130887820 /nfs/dbraw/zinc/88/78/20/1130887820.db2.gz DWRPIMUWTUXGBT-RTBURBONSA-N 2 1 298.430 3.550 20 0 CHADMP COc1ccc2cc(C[N@@H+](C)[C@@H]3CCCC[C@H]3[NH3+])ccc2c1 ZINC001236210673 1130887829 /nfs/dbraw/zinc/88/78/29/1130887829.db2.gz DWRPIMUWTUXGBT-RTBURBONSA-N 2 1 298.430 3.550 20 0 CHADMP CCCCOc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236210313 1130888873 /nfs/dbraw/zinc/88/88/73/1130888873.db2.gz AUSFPPDWIKELMW-MSOLQXFVSA-N 2 1 290.451 3.567 20 0 CHADMP CCCCOc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236210313 1130888880 /nfs/dbraw/zinc/88/88/80/1130888880.db2.gz AUSFPPDWIKELMW-MSOLQXFVSA-N 2 1 290.451 3.567 20 0 CHADMP Cc1cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc(C)c1Cl ZINC001236214576 1130889590 /nfs/dbraw/zinc/88/95/90/1130889590.db2.gz GADIMZJINLZAPD-LSDHHAIUSA-N 2 1 280.843 3.659 20 0 CHADMP Cc1cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc(C)c1Cl ZINC001236214576 1130889592 /nfs/dbraw/zinc/88/95/92/1130889592.db2.gz GADIMZJINLZAPD-LSDHHAIUSA-N 2 1 280.843 3.659 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+](C)[C@H]3CCCC[C@H]3[NH3+])cc2)o1 ZINC001236215688 1130891471 /nfs/dbraw/zinc/89/14/71/1130891471.db2.gz ICRFLURISMGZJU-MSOLQXFVSA-N 2 1 298.430 3.957 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+](C)[C@H]3CCCC[C@H]3[NH3+])cc2)o1 ZINC001236215688 1130891474 /nfs/dbraw/zinc/89/14/74/1130891474.db2.gz ICRFLURISMGZJU-MSOLQXFVSA-N 2 1 298.430 3.957 20 0 CHADMP C[N@H+](Cc1c[nH]c2cc(Cl)ccc12)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217392 1130893162 /nfs/dbraw/zinc/89/31/62/1130893162.db2.gz OUSOCJBSSISPIC-ZBFHGGJFSA-N 2 1 291.826 3.523 20 0 CHADMP C[N@@H+](Cc1c[nH]c2cc(Cl)ccc12)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217392 1130893168 /nfs/dbraw/zinc/89/31/68/1130893168.db2.gz OUSOCJBSSISPIC-ZBFHGGJFSA-N 2 1 291.826 3.523 20 0 CHADMP C[N@H+](Cc1ccc(OC(C)(C)C)cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219821 1130893273 /nfs/dbraw/zinc/89/32/73/1130893273.db2.gz XUTWRESGGQNTNF-IRXDYDNUSA-N 2 1 290.451 3.566 20 0 CHADMP C[N@@H+](Cc1ccc(OC(C)(C)C)cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219821 1130893279 /nfs/dbraw/zinc/89/32/79/1130893279.db2.gz XUTWRESGGQNTNF-IRXDYDNUSA-N 2 1 290.451 3.566 20 0 CHADMP C[N@@H+](Cc1cccc2c(F)cccc12)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236218351 1130893742 /nfs/dbraw/zinc/89/37/42/1130893742.db2.gz SHTUYXNBXWJWJZ-ZWKOTPCHSA-N 2 1 286.394 3.681 20 0 CHADMP C[N@H+](Cc1ccc(OC(C)(C)C)cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219817 1130894113 /nfs/dbraw/zinc/89/41/13/1130894113.db2.gz XUTWRESGGQNTNF-DLBZAZTESA-N 2 1 290.451 3.566 20 0 CHADMP C[N@@H+](Cc1ccc(OC(C)(C)C)cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219817 1130894118 /nfs/dbraw/zinc/89/41/18/1130894118.db2.gz XUTWRESGGQNTNF-DLBZAZTESA-N 2 1 290.451 3.566 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236226098 1130896649 /nfs/dbraw/zinc/89/66/49/1130896649.db2.gz IDUZZWCQBQPLGZ-UHFFFAOYSA-N 2 1 288.460 3.784 20 0 CHADMP C[N@@H+](Cc1ccc(C2CCC2)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236223268 1130896969 /nfs/dbraw/zinc/89/69/69/1130896969.db2.gz MKSWALODRBKGKL-IYARVYRRSA-N 2 1 272.436 3.656 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170759818 1130898034 /nfs/dbraw/zinc/89/80/34/1130898034.db2.gz DLRJEHLSGQKUEO-RZFLPCETSA-N 2 1 290.495 3.760 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170759818 1130898042 /nfs/dbraw/zinc/89/80/42/1130898042.db2.gz DLRJEHLSGQKUEO-RZFLPCETSA-N 2 1 290.495 3.760 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170759817 1130898413 /nfs/dbraw/zinc/89/84/13/1130898413.db2.gz DLRJEHLSGQKUEO-KFGODFMUSA-N 2 1 290.495 3.760 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170759817 1130898417 /nfs/dbraw/zinc/89/84/17/1130898417.db2.gz DLRJEHLSGQKUEO-KFGODFMUSA-N 2 1 290.495 3.760 20 0 CHADMP c1csc(-c2ccc(C[NH+]3CCC[NH2+]CCC3)s2)c1 ZINC001236240630 1130901510 /nfs/dbraw/zinc/90/15/10/1130901510.db2.gz RGPWSEHYKJRNFH-UHFFFAOYSA-N 2 1 292.473 3.662 20 0 CHADMP CC[N@@H+](Cc1ccc(C)c(C)c1)CC1(C)CC[NH2+]CC1 ZINC001236239076 1130901999 /nfs/dbraw/zinc/90/19/99/1130901999.db2.gz ARBUANUPSVNYJY-UHFFFAOYSA-N 2 1 274.452 3.515 20 0 CHADMP Cc1cccc(-c2ccc(C[N@@H+]3CCC[C@@H]3C[NH3+])cc2)c1 ZINC001236250683 1130906090 /nfs/dbraw/zinc/90/60/90/1130906090.db2.gz JPXPHWVNJJOIGC-LJQANCHMSA-N 2 1 280.415 3.585 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3CCC[C@@H]3C[NH3+])cc2)c1 ZINC001236250683 1130906093 /nfs/dbraw/zinc/90/60/93/1130906093.db2.gz JPXPHWVNJJOIGC-LJQANCHMSA-N 2 1 280.415 3.585 20 0 CHADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c2ccccc12 ZINC001236314747 1130913519 /nfs/dbraw/zinc/91/35/19/1130913519.db2.gz GNBBXCLYFNZHBS-CALCHBBNSA-N 2 1 294.442 3.580 20 0 CHADMP CC[N@H+](Cc1c(C)ccc2ccccc21)C[C@@H]1CC[NH2+]C1 ZINC001236407728 1130931634 /nfs/dbraw/zinc/93/16/34/1130931634.db2.gz GVUGBBBRWRWCKE-MRXNPFEDSA-N 2 1 282.431 3.580 20 0 CHADMP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1cccc(-c2ccccc2)c1 ZINC001236419756 1130935841 /nfs/dbraw/zinc/93/58/41/1130935841.db2.gz JYIGJDMMXDADBF-DNVCBOLYSA-N 2 1 280.415 3.665 20 0 CHADMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1cccc(-c2ccccc2)c1 ZINC001236419756 1130935846 /nfs/dbraw/zinc/93/58/46/1130935846.db2.gz JYIGJDMMXDADBF-DNVCBOLYSA-N 2 1 280.415 3.665 20 0 CHADMP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001236421372 1130936130 /nfs/dbraw/zinc/93/61/30/1130936130.db2.gz QJVFUBHVVXNQDS-AUUYWEPGSA-N 2 1 298.405 3.804 20 0 CHADMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001236421372 1130936134 /nfs/dbraw/zinc/93/61/34/1130936134.db2.gz QJVFUBHVVXNQDS-AUUYWEPGSA-N 2 1 298.405 3.804 20 0 CHADMP Cc1c(C[N@H+]2CCC[C@H]([NH3+])[C@H]2C)cccc1-c1ccccc1 ZINC001236421629 1130936231 /nfs/dbraw/zinc/93/62/31/1130936231.db2.gz VVWDNHAFEGAHGH-UZLBHIALSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1c(C[N@@H+]2CCC[C@H]([NH3+])[C@H]2C)cccc1-c1ccccc1 ZINC001236421629 1130936235 /nfs/dbraw/zinc/93/62/35/1130936235.db2.gz VVWDNHAFEGAHGH-UZLBHIALSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3CCC[C@H]([NH3+])[C@H]3C)cc2)c1 ZINC001236422611 1130937061 /nfs/dbraw/zinc/93/70/61/1130937061.db2.gz YRCZVRONLYAKIC-UZLBHIALSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1cccc(-c2ccc(C[N@@H+]3CCC[C@H]([NH3+])[C@H]3C)cc2)c1 ZINC001236422611 1130937066 /nfs/dbraw/zinc/93/70/66/1130937066.db2.gz YRCZVRONLYAKIC-UZLBHIALSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1cc(C)cc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)c1 ZINC001236428971 1130940193 /nfs/dbraw/zinc/94/01/93/1130940193.db2.gz TXQVJUVXYUFESC-HKUYNNGSSA-N 2 1 286.463 3.830 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1CC[C@](F)(C[NH3+])C1 ZINC001236435110 1130940551 /nfs/dbraw/zinc/94/05/51/1130940551.db2.gz RYMWUDRYMYIYLM-IBGZPJMESA-N 2 1 298.405 3.535 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1CC[C@](F)(C[NH3+])C1 ZINC001236435110 1130940555 /nfs/dbraw/zinc/94/05/55/1130940555.db2.gz RYMWUDRYMYIYLM-IBGZPJMESA-N 2 1 298.405 3.535 20 0 CHADMP Clc1ccccc1C[N@H+](CC1CCC1)C1CC[NH2+]CC1 ZINC001236450922 1130945073 /nfs/dbraw/zinc/94/50/73/1130945073.db2.gz NCHCUNUFJKUPGX-UHFFFAOYSA-N 2 1 292.854 3.694 20 0 CHADMP Clc1ccccc1C[N@@H+](CC1CCC1)C1CC[NH2+]CC1 ZINC001236450922 1130945076 /nfs/dbraw/zinc/94/50/76/1130945076.db2.gz NCHCUNUFJKUPGX-UHFFFAOYSA-N 2 1 292.854 3.694 20 0 CHADMP C[C@@H]1C[C@@H]1C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001236452565 1130945796 /nfs/dbraw/zinc/94/57/96/1130945796.db2.gz FVTIAFFBRZFKNZ-UKRRQHHQSA-N 2 1 292.854 3.550 20 0 CHADMP CC(C)(C)C[N@@H+](Cc1cccc2cc[nH]c21)C1CC[NH2+]CC1 ZINC001236457229 1130946374 /nfs/dbraw/zinc/94/63/74/1130946374.db2.gz KVVJMROCGONLDB-UHFFFAOYSA-N 2 1 299.462 3.768 20 0 CHADMP Cc1cc(C)c(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC001236468047 1130949524 /nfs/dbraw/zinc/94/95/24/1130949524.db2.gz DQVKHVKTQPJUQK-QGZVFWFLSA-N 2 1 274.452 3.574 20 0 CHADMP Cc1cc(C)c(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC001236468047 1130949526 /nfs/dbraw/zinc/94/95/26/1130949526.db2.gz DQVKHVKTQPJUQK-QGZVFWFLSA-N 2 1 274.452 3.574 20 0 CHADMP Cc1ccsc1C[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236542354 1130968801 /nfs/dbraw/zinc/96/88/01/1130968801.db2.gz TWBYERMNTZVMKI-WKILWMFISA-N 2 1 292.492 3.929 20 0 CHADMP CC(C)C[N@@H+](Cc1cc2ccccc2[nH]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551617 1130973268 /nfs/dbraw/zinc/97/32/68/1130973268.db2.gz RXCOJKCMWHKDOU-SAABIXHNSA-N 2 1 299.462 3.896 20 0 CHADMP Cc1ccc(F)cc1C[N@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550989 1130973340 /nfs/dbraw/zinc/97/33/40/1130973340.db2.gz HDOBINVIJPCRAS-IYARVYRRSA-N 2 1 292.442 3.862 20 0 CHADMP Cc1cccc(F)c1C[N@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551025 1130973452 /nfs/dbraw/zinc/97/34/52/1130973452.db2.gz JFBBMSBYQYBCFO-WKILWMFISA-N 2 1 292.442 3.862 20 0 CHADMP Cc1ccc(CCC[N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)o1 ZINC001236550150 1130973872 /nfs/dbraw/zinc/97/38/72/1130973872.db2.gz HJNRAWQIRLEGBS-QAQDUYKDSA-N 2 1 292.467 3.749 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc3occc3c2)CC2CC2)CC1 ZINC001236554209 1130974133 /nfs/dbraw/zinc/97/41/33/1130974133.db2.gz XCBHBVCUEQHKES-IYARVYRRSA-N 2 1 298.430 3.915 20 0 CHADMP Cc1cccc(CC[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236553239 1130974480 /nfs/dbraw/zinc/97/44/80/1130974480.db2.gz VGJJNXWXDWJTSF-WGSAOQKQSA-N 2 1 286.463 3.519 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2csc(Cl)c2)CC2CC2)CC1 ZINC001236554094 1130974720 /nfs/dbraw/zinc/97/47/20/1130974720.db2.gz VOEYHVGZXPGDEP-HDJSIYSDSA-N 2 1 298.883 3.883 20 0 CHADMP CC(C)C[N@@H+](CCc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552268 1130975063 /nfs/dbraw/zinc/97/50/63/1130975063.db2.gz TWELCROZEHAAEI-QAQDUYKDSA-N 2 1 292.442 3.596 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCc2ccccc2)C2CCCC2)CC1 ZINC001236566184 1130976856 /nfs/dbraw/zinc/97/68/56/1130976856.db2.gz DRUYFPGMQYWJBP-UAPYVXQJSA-N 2 1 286.463 3.744 20 0 CHADMP Cc1cccc(F)c1C[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236573431 1130978676 /nfs/dbraw/zinc/97/86/76/1130978676.db2.gz XORXJMQYCOKNBE-KOMQPUFPSA-N 2 1 290.426 3.759 20 0 CHADMP Cc1ccc2c(c1)CC[N@@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001236606307 1130983570 /nfs/dbraw/zinc/98/35/70/1130983570.db2.gz SZJDDVBHJNVQKZ-UHFFFAOYSA-N 2 1 286.463 3.666 20 0 CHADMP Cc1ccc2c(c1)CC[N@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001236606307 1130983576 /nfs/dbraw/zinc/98/35/76/1130983576.db2.gz SZJDDVBHJNVQKZ-UHFFFAOYSA-N 2 1 286.463 3.666 20 0 CHADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cccc(-c3ccsc3)c2)C1 ZINC001236605471 1130983927 /nfs/dbraw/zinc/98/39/27/1130983927.db2.gz VJZDFTYAQAAMMP-QGZVFWFLSA-N 2 1 286.444 3.586 20 0 CHADMP CCCc1ccc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)s1 ZINC001236633342 1130986730 /nfs/dbraw/zinc/98/67/30/1130986730.db2.gz GDRDOOOHVPLERP-UHFFFAOYSA-N 2 1 292.492 3.807 20 0 CHADMP CCC[C@H](Cc1ccccc1)[N@@H+](CCC)CCC1C[NH2+]C1 ZINC001236661257 1130991378 /nfs/dbraw/zinc/99/13/78/1130991378.db2.gz ASSMWXIIZJOKSP-LJQANCHMSA-N 2 1 288.479 3.719 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2)CC2CCCC2)CC1 ZINC001236682013 1130992676 /nfs/dbraw/zinc/99/26/76/1130992676.db2.gz NQMBFJPESSLJKC-WGSAOQKQSA-N 2 1 286.463 3.949 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2C)C1 ZINC000815563417 1131000333 /nfs/dbraw/zinc/00/03/33/1131000333.db2.gz BPPDBWAVIVIHKS-CABCVRRESA-N 2 1 278.415 3.517 20 0 CHADMP CCCC[N@@H+](Cc1cccc(C)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236726162 1131001145 /nfs/dbraw/zinc/00/11/45/1131001145.db2.gz FPSCYTHOQHAEKC-IYARVYRRSA-N 2 1 274.452 3.867 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCC2CC2)CC2CCCCC2)CC1 ZINC001236756522 1131004527 /nfs/dbraw/zinc/00/45/27/1131004527.db2.gz YABFTWICOLVEMQ-IYARVYRRSA-N 2 1 278.484 3.939 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000815572102 1131006794 /nfs/dbraw/zinc/00/67/94/1131006794.db2.gz UWYAQTFPBUGSRN-DLBZAZTESA-N 2 1 278.484 3.811 20 0 CHADMP Cc1cc(F)ccc1[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000815570704 1131006995 /nfs/dbraw/zinc/00/69/95/1131006995.db2.gz KMLLRXJIMXOQBL-AWEZNQCLSA-N 2 1 290.426 3.802 20 0 CHADMP CCC(=O)C(C)(C)C[N@H+](C(CC)CC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236783600 1131007058 /nfs/dbraw/zinc/00/70/58/1131007058.db2.gz VJGLBTMZTLBJTJ-KOMQPUFPSA-N 2 1 296.499 3.752 20 0 CHADMP C[C@H](C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1cccc2ccccc21 ZINC001236820947 1131013798 /nfs/dbraw/zinc/01/37/98/1131013798.db2.gz SVXDHTYVBCTCHJ-HIBPSGHXSA-N 2 1 294.442 3.612 20 0 CHADMP CC(C)c1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1Cl ZINC001236828394 1131017655 /nfs/dbraw/zinc/01/76/55/1131017655.db2.gz IOPSAWYOTJOVCM-YSVLISHTSA-N 2 1 292.854 3.633 20 0 CHADMP CCC[N@H+](Cc1ccc(C(C)(C)C)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236834899 1131018968 /nfs/dbraw/zinc/01/89/68/1131018968.db2.gz JNQAFLHBRIJEBH-QGZVFWFLSA-N 2 1 288.479 3.806 20 0 CHADMP CCC[N@@H+](CCCCCc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC001236832973 1131019376 /nfs/dbraw/zinc/01/93/76/1131019376.db2.gz YCAFIQJFUWXIKT-LJQANCHMSA-N 2 1 288.479 3.721 20 0 CHADMP CCC[N@@H+](Cc1cc(F)cc(C)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236844209 1131020742 /nfs/dbraw/zinc/02/07/42/1131020742.db2.gz PYACQFNAIJSQIW-CYBMUJFWSA-N 2 1 298.833 3.609 20 0 CHADMP CCC[N@H+](Cc1cc(F)cc(C)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236844209 1131020748 /nfs/dbraw/zinc/02/07/48/1131020748.db2.gz PYACQFNAIJSQIW-CYBMUJFWSA-N 2 1 298.833 3.609 20 0 CHADMP CCC[N@H+](Cc1cccc2sccc21)C[C@@H]1CC[NH2+]C1 ZINC001236845090 1131022149 /nfs/dbraw/zinc/02/21/49/1131022149.db2.gz YRNOGRIAORJKSZ-CQSZACIVSA-N 2 1 288.460 3.723 20 0 CHADMP CC[C@H]([NH3+])C[N@H+](C)Cc1cccc2c3ccccc3oc21 ZINC001236867810 1131026270 /nfs/dbraw/zinc/02/62/70/1131026270.db2.gz BKEDKKBTGBUKOA-AWEZNQCLSA-N 2 1 282.387 3.755 20 0 CHADMP CC[C@H]([NH3+])C[N@@H+](C)Cc1cccc2c3ccccc3oc21 ZINC001236867810 1131026272 /nfs/dbraw/zinc/02/62/72/1131026272.db2.gz BKEDKKBTGBUKOA-AWEZNQCLSA-N 2 1 282.387 3.755 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CCC[C@@](C)(C[NH3+])C3)cc2)o1 ZINC001237059276 1131042295 /nfs/dbraw/zinc/04/22/95/1131042295.db2.gz SGHCVVLVIJTVMM-IBGZPJMESA-N 2 1 298.430 3.816 20 0 CHADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C2CCC2)cc1 ZINC001237082962 1131047650 /nfs/dbraw/zinc/04/76/50/1131047650.db2.gz ZPRPMISHYHPTSE-QNBRMCRTSA-N 2 1 284.447 3.656 20 0 CHADMP C[C@@H]1CCC[C@@H](C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)C1 ZINC000798957149 1131064352 /nfs/dbraw/zinc/06/43/52/1131064352.db2.gz WMAUNCXMDHAANI-IAGOWNOFSA-N 2 1 278.484 3.621 20 0 CHADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798956972 1131064908 /nfs/dbraw/zinc/06/49/08/1131064908.db2.gz SCCZZCFTCWPSKB-SJORKVTESA-N 2 1 278.484 3.621 20 0 CHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cscc3Cl)C2)CC1 ZINC000798957112 1131065611 /nfs/dbraw/zinc/06/56/11/1131065611.db2.gz UWYDDMPSZIVUHA-UHFFFAOYSA-N 2 1 298.883 3.709 20 0 CHADMP Cc1c(C[N@H+]2C[C@@H]([NH3+])C[C@H]2C)cccc1-c1ccccc1 ZINC001237203379 1131070557 /nfs/dbraw/zinc/07/05/57/1131070557.db2.gz FAMOGEKKNNBBLC-KDOFPFPSSA-N 2 1 280.415 3.584 20 0 CHADMP Cc1c(C[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)cccc1-c1ccccc1 ZINC001237203379 1131070562 /nfs/dbraw/zinc/07/05/62/1131070562.db2.gz FAMOGEKKNNBBLC-KDOFPFPSSA-N 2 1 280.415 3.584 20 0 CHADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H]3CCc4ccccc43)C2)CC1 ZINC000799178449 1131074817 /nfs/dbraw/zinc/07/48/17/1131074817.db2.gz VJRXCMVYQTTYME-SFHVURJKSA-N 2 1 298.474 3.524 20 0 CHADMP c1ccc2c(c1)CC[NH2+]C21CC[NH+](CCC2CCCC2)CC1 ZINC001237276549 1131077013 /nfs/dbraw/zinc/07/70/13/1131077013.db2.gz WTUOGWKWJNESRA-UHFFFAOYSA-N 2 1 298.474 3.704 20 0 CHADMP c1ccc(C2(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)CCCC2)cc1 ZINC001237381235 1131091966 /nfs/dbraw/zinc/09/19/66/1131091966.db2.gz IIISACWTQMMXLP-IEBWSBKVSA-N 2 1 298.474 3.572 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237379611 1131092142 /nfs/dbraw/zinc/09/21/42/1131092142.db2.gz BZVTZVLWNFFILY-OPCNFVSTSA-N 2 1 264.457 3.587 20 0 CHADMP CC/C=C\CCC[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001237359856 1131092917 /nfs/dbraw/zinc/09/29/17/1131092917.db2.gz QKQKKDRHRWUOBD-ARJAWSKDSA-N 2 1 284.447 3.827 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c(C)c1Cl ZINC001237408401 1131096799 /nfs/dbraw/zinc/09/67/99/1131096799.db2.gz BFARJZWVGDODAI-JKSUJKDBSA-N 2 1 292.854 3.531 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c(C)c1Cl ZINC001237408401 1131096805 /nfs/dbraw/zinc/09/68/05/1131096805.db2.gz BFARJZWVGDODAI-JKSUJKDBSA-N 2 1 292.854 3.531 20 0 CHADMP CC[N@@H+](Cc1cccc(C(C)C)c1)C1CCN(C)CC1 ZINC001237458128 1131100847 /nfs/dbraw/zinc/10/08/47/1131100847.db2.gz JKFBNYFDBSOLGR-UHFFFAOYSA-N 2 1 274.452 3.726 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC001116410093 1131143976 /nfs/dbraw/zinc/14/39/76/1131143976.db2.gz SSEOZAXSZDOPBB-SUMWQHHRSA-N 2 1 292.854 3.649 20 0 CHADMP CC(C)[N@H+](Cc1ccccc1)Cc1cccc2c[nH+]cn21 ZINC001238102321 1131171657 /nfs/dbraw/zinc/17/16/57/1131171657.db2.gz BAOZQBBMNHBFNY-UHFFFAOYSA-N 2 1 279.387 3.745 20 0 CHADMP CC(C)[N@@H+](Cc1ccccc1)Cc1cccc2c[nH+]cn21 ZINC001238102321 1131171660 /nfs/dbraw/zinc/17/16/60/1131171660.db2.gz BAOZQBBMNHBFNY-UHFFFAOYSA-N 2 1 279.387 3.745 20 0 CHADMP c1ncn2c1cccc2C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC001238120589 1131173229 /nfs/dbraw/zinc/17/32/29/1131173229.db2.gz YLOQUGZMVGHUMN-INIZCTEOSA-N 2 1 283.419 3.737 20 0 CHADMP c1[nH+]cn2c1cccc2C[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC001238120589 1131173231 /nfs/dbraw/zinc/17/32/31/1131173231.db2.gz YLOQUGZMVGHUMN-INIZCTEOSA-N 2 1 283.419 3.737 20 0 CHADMP c1[nH+]cn2c1cccc2C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC001238120589 1131173234 /nfs/dbraw/zinc/17/32/34/1131173234.db2.gz YLOQUGZMVGHUMN-INIZCTEOSA-N 2 1 283.419 3.737 20 0 CHADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)c(C)c2C)CC1 ZINC001238219281 1131184018 /nfs/dbraw/zinc/18/40/18/1131184018.db2.gz QPUZUIFRRMVRPO-UHFFFAOYSA-N 2 1 294.870 3.873 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)c(C)c2C)CC1 ZINC001238219281 1131184020 /nfs/dbraw/zinc/18/40/20/1131184020.db2.gz QPUZUIFRRMVRPO-UHFFFAOYSA-N 2 1 294.870 3.873 20 0 CHADMP Cc1nc2c(s1)[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c3ccccc31)CCC2 ZINC000817921959 1131188377 /nfs/dbraw/zinc/18/83/77/1131188377.db2.gz LUEQQFOWQVZJAY-BMFZPTHFSA-N 2 1 299.443 3.563 20 0 CHADMP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC)C1 ZINC001117550041 1131188818 /nfs/dbraw/zinc/18/88/18/1131188818.db2.gz IGXJDWMDHQMXER-JYJNAYRXSA-N 2 1 254.462 3.523 20 0 CHADMP Cc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(F)cc1Cl ZINC001238303928 1131190024 /nfs/dbraw/zinc/19/00/24/1131190024.db2.gz CMVPRYKJUXBMFW-UHFFFAOYSA-N 2 1 298.833 3.561 20 0 CHADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(SC(F)F)cc1 ZINC000817959181 1131192074 /nfs/dbraw/zinc/19/20/74/1131192074.db2.gz PXBVLSOJFYFFRP-ZWNOBZJWSA-N 2 1 288.407 3.635 20 0 CHADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1cc2cc(C)c(C)cc2o1 ZINC001118059058 1131208164 /nfs/dbraw/zinc/20/81/64/1131208164.db2.gz NCDAIVORNHIUAF-ZIAGYGMSSA-N 2 1 274.408 3.698 20 0 CHADMP [NH3+]CC1([NH2+][C@@H]2CCCC3(CCCCC3)C2)CCCC1 ZINC001246288841 1131446929 /nfs/dbraw/zinc/44/69/29/1131446929.db2.gz SFFXQIIIZOPYHD-OAHLLOKOSA-N 2 1 264.457 3.741 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2cc(C)ccc12 ZINC001136975480 1131491504 /nfs/dbraw/zinc/49/15/04/1131491504.db2.gz IOMPNRVJNHJPDL-UHFFFAOYSA-N 2 1 287.451 3.640 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)CC(C)(C)C)cc1 ZINC001138547355 1131518581 /nfs/dbraw/zinc/51/85/81/1131518581.db2.gz LSGCMKJQHRGKFE-UHFFFAOYSA-N 2 1 271.408 3.659 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)CC(C)(C)C)cc1 ZINC001138547355 1131518584 /nfs/dbraw/zinc/51/85/84/1131518584.db2.gz LSGCMKJQHRGKFE-UHFFFAOYSA-N 2 1 271.408 3.659 20 0 CHADMP Cc1nccn1-c1ccc(C[N@H+]2CC3CCC2CC3)cc1 ZINC001138549001 1131519623 /nfs/dbraw/zinc/51/96/23/1131519623.db2.gz NJCFTJVZWCKVFW-UHFFFAOYSA-N 2 1 281.403 3.555 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC3CCC2CC3)cc1 ZINC001138549001 1131519628 /nfs/dbraw/zinc/51/96/28/1131519628.db2.gz NJCFTJVZWCKVFW-UHFFFAOYSA-N 2 1 281.403 3.555 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC3CCC2CC3)cc1 ZINC001138549001 1131519631 /nfs/dbraw/zinc/51/96/31/1131519631.db2.gz NJCFTJVZWCKVFW-UHFFFAOYSA-N 2 1 281.403 3.555 20 0 CHADMP CCC[N@@H+]([C@H](C)CC)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246526898 1131553948 /nfs/dbraw/zinc/55/39/48/1131553948.db2.gz DBTRRMYSNCEPLO-KLAILNCOSA-N 2 1 266.473 3.809 20 0 CHADMP CCCCCC1CCC([N@H+]2CC[C@](C)([NH3+])C2)CC1 ZINC001246531466 1131561770 /nfs/dbraw/zinc/56/17/70/1131561770.db2.gz RGAYZCIFYXTPKS-GPANFISMSA-N 2 1 252.446 3.549 20 0 CHADMP CCCCC[C@H](CCC)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246550147 1131603921 /nfs/dbraw/zinc/60/39/21/1131603921.db2.gz NXMRMIOQZCNOTE-HOTGVXAUSA-N 2 1 272.452 3.888 20 0 CHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C[C@@H]1C ZINC001139356353 1131604403 /nfs/dbraw/zinc/60/44/03/1131604403.db2.gz KSOISXWKUUPQMK-CVEARBPZSA-N 2 1 283.419 3.740 20 0 CHADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246551988 1131609069 /nfs/dbraw/zinc/60/90/69/1131609069.db2.gz NAUXRVVBSCGEGK-MLGOLLRUSA-N 2 1 298.833 3.613 20 0 CHADMP Cc1[nH+]ccn1-c1ccccc1C[NH+](C(C)C)C(C)C ZINC001140023241 1131657187 /nfs/dbraw/zinc/65/71/87/1131657187.db2.gz LIBPAFLOTWZUDN-UHFFFAOYSA-N 2 1 271.408 3.800 20 0 CHADMP C[C@@H]1CCC[N@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C[C@H]1C ZINC001246577436 1131664801 /nfs/dbraw/zinc/66/48/01/1131664801.db2.gz WLTYRIYXCQNGGH-ZACQAIPSSA-N 2 1 278.484 3.809 20 0 CHADMP CCC1CCC([NH2+]CCC[N@@H+](C)CC(C)C)CC1 ZINC001203031139 1131711085 /nfs/dbraw/zinc/71/10/85/1131711085.db2.gz BFBBCTWZNFWFMQ-UHFFFAOYSA-N 2 1 254.462 3.523 20 0 CHADMP CCC[N@@H+](CCCCCC[NH3+])Cc1ccc(F)cc1 ZINC000846218790 1131700472 /nfs/dbraw/zinc/70/04/72/1131700472.db2.gz VZYHFVFFGDDMEM-UHFFFAOYSA-N 2 1 266.404 3.557 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000846217879 1131700578 /nfs/dbraw/zinc/70/05/78/1131700578.db2.gz HVXQSDFPTXEPGE-OAHLLOKOSA-N 2 1 280.843 3.648 20 0 CHADMP CCCCCC[C@H](C)[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246588001 1131702028 /nfs/dbraw/zinc/70/20/28/1131702028.db2.gz XLMBUZHIQZBDBR-HOTGVXAUSA-N 2 1 254.462 3.796 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001246602825 1131714518 /nfs/dbraw/zinc/71/45/18/1131714518.db2.gz JTCKKYDZQXYUJT-ULQDDVLXSA-N 2 1 266.473 3.523 20 0 CHADMP CCCCC(CCCC)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246626608 1131724123 /nfs/dbraw/zinc/72/41/23/1131724123.db2.gz HCEHPDUACOZKAD-QGZVFWFLSA-N 2 1 266.473 3.811 20 0 CHADMP CCC[C@@H]1CCCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000834903311 1131727495 /nfs/dbraw/zinc/72/74/95/1131727495.db2.gz OAUDPZPUBWRWFH-VUCRHFMTSA-N 2 1 278.484 3.808 20 0 CHADMP CCCCCC[C@@H](CC)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001246632835 1131744209 /nfs/dbraw/zinc/74/42/09/1131744209.db2.gz ZUIDGPHHCPJJEP-IXDOHACOSA-N 2 1 266.473 3.667 20 0 CHADMP C1C[N@@H+]([C@H]2CCCC3(CCCCC3)C2)[C@]2(C1)CC[NH2+]C2 ZINC001246646519 1131774715 /nfs/dbraw/zinc/77/47/15/1131774715.db2.gz FRHKVRHVDWRAGA-FUHWJXTLSA-N 2 1 276.468 3.707 20 0 CHADMP Cc1ccc(F)cc1C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001140592923 1131815644 /nfs/dbraw/zinc/81/56/44/1131815644.db2.gz GXWIRQSFYZVRDB-UHFFFAOYSA-N 2 1 292.442 3.686 20 0 CHADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC001171309772 1131824800 /nfs/dbraw/zinc/82/48/00/1131824800.db2.gz ZQLRGECSWCSUNA-XHSDSOJGSA-N 2 1 283.419 3.657 20 0 CHADMP CC[C@@H](C)[C@H]1CCCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000348191575 1131895493 /nfs/dbraw/zinc/89/54/93/1131895493.db2.gz VUVMQZGYVDHAHB-NVXWUHKLSA-N 2 1 277.456 3.872 20 0 CHADMP CC[C@@H](C)[C@H]1CCCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000348191575 1131895496 /nfs/dbraw/zinc/89/54/96/1131895496.db2.gz VUVMQZGYVDHAHB-NVXWUHKLSA-N 2 1 277.456 3.872 20 0 CHADMP CC(C)[N@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccccc1 ZINC001140799841 1131924873 /nfs/dbraw/zinc/92/48/73/1131924873.db2.gz ODFOCIDUUXUFBB-UHFFFAOYSA-N 2 1 279.387 3.974 20 0 CHADMP CC(C)[N@@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccccc1 ZINC001140799841 1131924878 /nfs/dbraw/zinc/92/48/78/1131924878.db2.gz ODFOCIDUUXUFBB-UHFFFAOYSA-N 2 1 279.387 3.974 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC001140802496 1131926412 /nfs/dbraw/zinc/92/64/12/1131926412.db2.gz WZIGJIGMPSVLPB-HNNXBMFYSA-N 2 1 277.371 3.552 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC001140802496 1131926413 /nfs/dbraw/zinc/92/64/13/1131926413.db2.gz WZIGJIGMPSVLPB-HNNXBMFYSA-N 2 1 277.371 3.552 20 0 CHADMP Cc1ccc([C@H]2CCC[N@@H+]2Cc2c[nH]c3cc[nH+]cc23)cn1 ZINC001140804782 1131929622 /nfs/dbraw/zinc/92/96/22/1131929622.db2.gz DYQITNCOYPXMMC-GOSISDBHSA-N 2 1 292.386 3.603 20 0 CHADMP Cc1ccc([C@H]2CCC[N@H+]2Cc2c[nH]c3cc[nH+]cc23)cn1 ZINC001140804782 1131929625 /nfs/dbraw/zinc/92/96/25/1131929625.db2.gz DYQITNCOYPXMMC-GOSISDBHSA-N 2 1 292.386 3.603 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@@H+]2Cc2c[nH]c3cc[nH+]cc23)cn1 ZINC001140804783 1131930841 /nfs/dbraw/zinc/93/08/41/1131930841.db2.gz DYQITNCOYPXMMC-SFHVURJKSA-N 2 1 292.386 3.603 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@H+]2Cc2c[nH]c3cc[nH+]cc23)cn1 ZINC001140804783 1131930849 /nfs/dbraw/zinc/93/08/49/1131930849.db2.gz DYQITNCOYPXMMC-SFHVURJKSA-N 2 1 292.386 3.603 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc[nH]2)cc1 ZINC000773113132 1131949547 /nfs/dbraw/zinc/94/95/47/1131949547.db2.gz AGUJEHCQEISQRY-KBPBESRZSA-N 2 1 294.402 3.921 20 0 CHADMP C=C/C=C/CC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000713679426 1131966347 /nfs/dbraw/zinc/96/63/47/1131966347.db2.gz NUMSFIGZQPFJKZ-NIAAJLDISA-N 2 1 284.447 3.619 20 0 CHADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(SC)cc2)CC1 ZINC000037149825 1132002058 /nfs/dbraw/zinc/00/20/58/1132002058.db2.gz QOTDFBKIQBNPIF-UHFFFAOYSA-N 2 1 292.492 3.763 20 0 CHADMP Cc1cc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)ccc1F ZINC001171620173 1132065448 /nfs/dbraw/zinc/06/54/48/1132065448.db2.gz WZMYGDZZTYGOPS-UHFFFAOYSA-N 2 1 292.442 3.875 20 0 CHADMP Cc1ccc(CC[C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001171657561 1132068577 /nfs/dbraw/zinc/06/85/77/1132068577.db2.gz ILDUSPGAHXLGTQ-KANFNMMFSA-N 2 1 286.463 3.531 20 0 CHADMP CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171965024 1132112235 /nfs/dbraw/zinc/11/22/35/1132112235.db2.gz NLBGFVYROMKGJV-QGZVFWFLSA-N 2 1 274.452 3.819 20 0 CHADMP CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171965023 1132113313 /nfs/dbraw/zinc/11/33/13/1132113313.db2.gz NLBGFVYROMKGJV-KRWDZBQOSA-N 2 1 274.452 3.819 20 0 CHADMP C[C@@H]1CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976137 1132117996 /nfs/dbraw/zinc/11/79/96/1132117996.db2.gz INRFGAHXRJFQOA-AEFFLSMTSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976137 1132117999 /nfs/dbraw/zinc/11/79/99/1132117999.db2.gz INRFGAHXRJFQOA-AEFFLSMTSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976137 1132118003 /nfs/dbraw/zinc/11/80/03/1132118003.db2.gz INRFGAHXRJFQOA-AEFFLSMTSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976137 1132118007 /nfs/dbraw/zinc/11/80/07/1132118007.db2.gz INRFGAHXRJFQOA-AEFFLSMTSA-N 2 1 286.463 3.771 20 0 CHADMP CC1(C)C[C@H]([NH2+][C@H]2CC23CCC3)CC[N@H+]1Cc1ccccc1 ZINC001171978658 1132119874 /nfs/dbraw/zinc/11/98/74/1132119874.db2.gz IDKZHKCZTNMTSU-MSOLQXFVSA-N 2 1 298.474 3.962 20 0 CHADMP CC1(C)C[C@@H](n2ccc(C[NH3+])c2)CC[N@H+]1Cc1ccccc1 ZINC001171981335 1132120373 /nfs/dbraw/zinc/12/03/73/1132120373.db2.gz CIZFGTIQMLATLP-SFHVURJKSA-N 2 1 297.446 3.563 20 0 CHADMP CCC1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172100549 1132124616 /nfs/dbraw/zinc/12/46/16/1132124616.db2.gz DXWOXCPUEQMQOF-BOXKHOIUSA-N 2 1 264.457 3.560 20 0 CHADMP CCC1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172100549 1132124620 /nfs/dbraw/zinc/12/46/20/1132124620.db2.gz DXWOXCPUEQMQOF-BOXKHOIUSA-N 2 1 264.457 3.560 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(C(F)F)c1)C2 ZINC001172099240 1132125214 /nfs/dbraw/zinc/12/52/14/1132125214.db2.gz JBSWIQIQSSBRQM-PHZGNYQRSA-N 2 1 294.389 3.729 20 0 CHADMP Cc1ccc([C@H]2CCC[NH+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cn1 ZINC001172129174 1132128325 /nfs/dbraw/zinc/12/83/25/1132128325.db2.gz XWZKOFHVMMJXPA-FCGDIQPGSA-N 2 1 299.462 3.542 20 0 CHADMP Cc1ccc([C@H]2CCC[NH+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cn1 ZINC001172129174 1132128328 /nfs/dbraw/zinc/12/83/28/1132128328.db2.gz XWZKOFHVMMJXPA-FCGDIQPGSA-N 2 1 299.462 3.542 20 0 CHADMP Cc1ccc([C@H]2CCC[N@H+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cn1 ZINC001172129174 1132128331 /nfs/dbraw/zinc/12/83/31/1132128331.db2.gz XWZKOFHVMMJXPA-FCGDIQPGSA-N 2 1 299.462 3.542 20 0 CHADMP Cc1ccc([C@H]2CCC[N@@H+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cn1 ZINC001172129174 1132128333 /nfs/dbraw/zinc/12/83/33/1132128333.db2.gz XWZKOFHVMMJXPA-FCGDIQPGSA-N 2 1 299.462 3.542 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1coc3ccccc13)C2 ZINC001172104947 1132129250 /nfs/dbraw/zinc/12/92/50/1132129250.db2.gz FCWJKQCGJLOTPQ-OSYLJGHBSA-N 2 1 298.430 3.580 20 0 CHADMP C[C@H]1[C@H]2C[C@@H](C[C@H]1[NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2(C)C ZINC001172110066 1132129445 /nfs/dbraw/zinc/12/94/45/1132129445.db2.gz JKSBZUBVKQJKSA-NKPHKUNOSA-N 2 1 290.495 3.662 20 0 CHADMP C[C@H]1[C@H]2C[C@@H](C[C@H]1[NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2(C)C ZINC001172110066 1132129450 /nfs/dbraw/zinc/12/94/50/1132129450.db2.gz JKSBZUBVKQJKSA-NKPHKUNOSA-N 2 1 290.495 3.662 20 0 CHADMP Cc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(Cl)c1 ZINC001172109729 1132129567 /nfs/dbraw/zinc/12/95/67/1132129567.db2.gz KNNZLQIEGFBKMD-MUJYYYPQSA-N 2 1 292.854 3.753 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc3ccccc3c1)C2 ZINC001172107850 1132130006 /nfs/dbraw/zinc/13/00/06/1132130006.db2.gz KQJUZRAAKUFPEW-ACDBMABISA-N 2 1 294.442 3.945 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(Cl)cc1F)C2 ZINC001172107412 1132130072 /nfs/dbraw/zinc/13/00/72/1132130072.db2.gz XEXPNBZNALZDFX-QDMKHBRRSA-N 2 1 296.817 3.584 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(Cl)cc1F)C2 ZINC001172107412 1132130074 /nfs/dbraw/zinc/13/00/74/1132130074.db2.gz XEXPNBZNALZDFX-QDMKHBRRSA-N 2 1 296.817 3.584 20 0 CHADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCCCC1 ZINC001172105530 1132131003 /nfs/dbraw/zinc/13/10/03/1132131003.db2.gz IXQMZCWFCQLLDE-MXASKKJJSA-N 2 1 264.457 3.560 20 0 CHADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC001172105530 1132131005 /nfs/dbraw/zinc/13/10/05/1132131005.db2.gz IXQMZCWFCQLLDE-MXASKKJJSA-N 2 1 264.457 3.560 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CCC2 ZINC001172111613 1132133315 /nfs/dbraw/zinc/13/33/15/1132133315.db2.gz VUUMVYAKVZIJCN-GNBUJSLZSA-N 2 1 298.474 3.977 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CCC2 ZINC001172111613 1132133320 /nfs/dbraw/zinc/13/33/20/1132133320.db2.gz VUUMVYAKVZIJCN-GNBUJSLZSA-N 2 1 298.474 3.977 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H]1c1cccs1)C2 ZINC001172121545 1132135147 /nfs/dbraw/zinc/13/51/47/1132135147.db2.gz KOFDEEYKRPKWDG-QKPAOTATSA-N 2 1 290.476 3.900 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@H]1c1cccs1)C2 ZINC001172121545 1132135153 /nfs/dbraw/zinc/13/51/53/1132135153.db2.gz KOFDEEYKRPKWDG-QKPAOTATSA-N 2 1 290.476 3.900 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@H]1c1cccs1)C2 ZINC001172121545 1132135158 /nfs/dbraw/zinc/13/51/58/1132135158.db2.gz KOFDEEYKRPKWDG-QKPAOTATSA-N 2 1 290.476 3.900 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H]3CCCC[C@@H]31)C2 ZINC001172123497 1132135425 /nfs/dbraw/zinc/13/54/25/1132135425.db2.gz GNFDJNPAYOPJTF-AVEIZBFRSA-N 2 1 276.468 3.656 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H]3CCCC[C@@H]31)C2 ZINC001172123497 1132135429 /nfs/dbraw/zinc/13/54/29/1132135429.db2.gz GNFDJNPAYOPJTF-AVEIZBFRSA-N 2 1 276.468 3.656 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]3CCCC[C@@H]31)C2 ZINC001172123497 1132135434 /nfs/dbraw/zinc/13/54/34/1132135434.db2.gz GNFDJNPAYOPJTF-AVEIZBFRSA-N 2 1 276.468 3.656 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]3CCCC[C@@H]31)C2 ZINC001172123497 1132135437 /nfs/dbraw/zinc/13/54/37/1132135437.db2.gz GNFDJNPAYOPJTF-AVEIZBFRSA-N 2 1 276.468 3.656 20 0 CHADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC001172375415 1132168090 /nfs/dbraw/zinc/16/80/90/1132168090.db2.gz UPVBPIHBYCBFAY-JFIYKMOQSA-N 2 1 280.500 3.863 20 0 CHADMP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001172340375 1132176328 /nfs/dbraw/zinc/17/63/28/1132176328.db2.gz QIBDBZBYEBWPSH-SJORKVTESA-N 2 1 296.499 3.530 20 0 CHADMP CCOCC[C@H](C)[N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172422491 1132203638 /nfs/dbraw/zinc/20/36/38/1132203638.db2.gz SZOCNRUBIYPYFB-SZMVWBNQSA-N 2 1 296.499 3.564 20 0 CHADMP CC(C)OCC[C@@H](C)[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172436445 1132232056 /nfs/dbraw/zinc/23/20/56/1132232056.db2.gz DGEZPRSCXMMQOJ-BRWVUGGUSA-N 2 1 298.515 3.808 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172553369 1132266006 /nfs/dbraw/zinc/26/60/06/1132266006.db2.gz MJZRVLHNGOQYGQ-UJMXGEILSA-N 2 1 298.474 3.928 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172553369 1132266013 /nfs/dbraw/zinc/26/60/13/1132266013.db2.gz MJZRVLHNGOQYGQ-UJMXGEILSA-N 2 1 298.474 3.928 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172546318 1132279476 /nfs/dbraw/zinc/27/94/76/1132279476.db2.gz OFERVVHVKSNXEP-OQIJWPOYSA-N 2 1 286.463 3.643 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172546318 1132279481 /nfs/dbraw/zinc/27/94/81/1132279481.db2.gz OFERVVHVKSNXEP-OQIJWPOYSA-N 2 1 286.463 3.643 20 0 CHADMP Cc1cc(C)c(C[NH+]2CCC([N@H+](C)C3CC3)CC2)cc1C ZINC001231485835 1132301234 /nfs/dbraw/zinc/30/12/34/1132301234.db2.gz NEDDWJJSKWFVPG-UHFFFAOYSA-N 2 1 286.463 3.670 20 0 CHADMP Cc1cc(C)c(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)cc1C ZINC001231485835 1132301242 /nfs/dbraw/zinc/30/12/42/1132301242.db2.gz NEDDWJJSKWFVPG-UHFFFAOYSA-N 2 1 286.463 3.670 20 0 CHADMP CN1CCC[C@@H]2C[N@H+](C3CCC4(CCCC4)CC3)C[C@H]21 ZINC001172730556 1132304386 /nfs/dbraw/zinc/30/43/86/1132304386.db2.gz JGTXVOJIKWWRJL-NVXWUHKLSA-N 2 1 276.468 3.515 20 0 CHADMP CCC(CC)[N@@H+](C)C1CCC([NH+](CC)CC)CC1 ZINC001173113426 1132394969 /nfs/dbraw/zinc/39/49/69/1132394969.db2.gz PZDDAEMWSCYFPX-UHFFFAOYSA-N 2 1 254.462 3.760 20 0 CHADMP C[N@@H+](CCc1ccc(Cl)cc1)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014075 1132410853 /nfs/dbraw/zinc/41/08/53/1132410853.db2.gz JGRYBBZOBLGMJD-UHFFFAOYSA-N 2 1 299.805 3.891 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@H+]2Cc2cc3c[nH+]ccc3[nH]2)cn1 ZINC001232015417 1132410894 /nfs/dbraw/zinc/41/08/94/1132410894.db2.gz HKTWJYXSNAOELM-SFHVURJKSA-N 2 1 292.386 3.603 20 0 CHADMP CCCC[C@@H](CC(C)C)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001173250863 1132419968 /nfs/dbraw/zinc/41/99/68/1132419968.db2.gz WPOCXXKIUVGZSP-GPANFISMSA-N 2 1 254.462 3.793 20 0 CHADMP CCCC[C@@H](CC(C)C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001173251011 1132421496 /nfs/dbraw/zinc/42/14/96/1132421496.db2.gz XNLVQLRSEAUCQT-NXOAAHMSSA-N 2 1 266.473 3.806 20 0 CHADMP C[C@H]1CCC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C[C@H]1C ZINC001232144349 1132427481 /nfs/dbraw/zinc/42/74/81/1132427481.db2.gz IYUODTKZBWVXMF-LSDHHAIUSA-N 2 1 292.442 3.755 20 0 CHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC23CCCCC3)c1 ZINC001232145212 1132427957 /nfs/dbraw/zinc/42/79/57/1132427957.db2.gz YKTPXJQOBDQZAN-UHFFFAOYSA-N 2 1 290.426 3.796 20 0 CHADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000842471712 1132432662 /nfs/dbraw/zinc/43/26/62/1132432662.db2.gz UXQBIZYRCUAMPY-QGZVFWFLSA-N 2 1 278.415 3.872 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842478108 1132432688 /nfs/dbraw/zinc/43/26/88/1132432688.db2.gz NFILKMFOMSJSPX-BEFAXECRSA-N 2 1 280.415 3.729 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842478108 1132432691 /nfs/dbraw/zinc/43/26/91/1132432691.db2.gz NFILKMFOMSJSPX-BEFAXECRSA-N 2 1 280.415 3.729 20 0 CHADMP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCCCCCC[NH3+] ZINC000842472664 1132433708 /nfs/dbraw/zinc/43/37/08/1132433708.db2.gz HQDIGTXFMOOTML-OAGGEKHMSA-N 2 1 252.446 3.549 20 0 CHADMP CC[C@@H]1CC[C@@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173269597 1132433994 /nfs/dbraw/zinc/43/39/94/1132433994.db2.gz JCTJVDLLYIYLQK-MUIFIZLQSA-N 2 1 264.457 3.690 20 0 CHADMP CC[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)C1 ZINC001173269032 1132434223 /nfs/dbraw/zinc/43/42/23/1132434223.db2.gz FSFZCJQNLGOCLI-PBHICJAKSA-N 2 1 290.426 3.654 20 0 CHADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccnc(C(C)(C)C)c1 ZINC001232220978 1132438751 /nfs/dbraw/zinc/43/87/51/1132438751.db2.gz UHQBUKPFHMVQSY-UHFFFAOYSA-N 2 1 291.483 3.543 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccnc(C(C)(C)C)c1 ZINC001232220978 1132438756 /nfs/dbraw/zinc/43/87/56/1132438756.db2.gz UHQBUKPFHMVQSY-UHFFFAOYSA-N 2 1 291.483 3.543 20 0 CHADMP Cc1c[nH+]c(CC[NH3+])n1[C@H]1CCCC2(CCCCC2)C1 ZINC001173339320 1132465790 /nfs/dbraw/zinc/46/57/90/1132465790.db2.gz NQIBXRPTKYZNPM-HNNXBMFYSA-N 2 1 275.440 3.758 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001173350931 1132475709 /nfs/dbraw/zinc/47/57/09/1132475709.db2.gz YOVLJBUGDPBNJU-DLBZAZTESA-N 2 1 278.484 3.811 20 0 CHADMP CCCCOc1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000843056490 1132494491 /nfs/dbraw/zinc/49/44/91/1132494491.db2.gz MYZKXMJOXPPKKU-UHFFFAOYSA-N 2 1 290.451 3.567 20 0 CHADMP CC(C)[C@H](C[N@@H+](C)C1CCC([NH3+])CC1)c1ccccc1 ZINC000843055077 1132494976 /nfs/dbraw/zinc/49/49/76/1132494976.db2.gz PRABAQHAHYAQBY-ABHNRTSZSA-N 2 1 274.452 3.628 20 0 CHADMP CC(C)c1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)ccc1Cl ZINC001206211019 1132505247 /nfs/dbraw/zinc/50/52/47/1132505247.db2.gz MFEQUBPKIIMANL-JKSUJKDBSA-N 2 1 298.833 3.725 20 0 CHADMP CC(C)c1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)ccc1Cl ZINC001206211019 1132505255 /nfs/dbraw/zinc/50/52/55/1132505255.db2.gz MFEQUBPKIIMANL-JKSUJKDBSA-N 2 1 298.833 3.725 20 0 CHADMP Cc1cc(C)c([C@@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)c(C)c1 ZINC000843363763 1132525190 /nfs/dbraw/zinc/52/51/90/1132525190.db2.gz PDPZLODDEOUJCQ-QGZVFWFLSA-N 2 1 286.463 3.748 20 0 CHADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cccc3c(F)cccc23)C1 ZINC001206641275 1132570100 /nfs/dbraw/zinc/57/01/00/1132570100.db2.gz VOXXKUNPVJOPKT-CQSZACIVSA-N 2 1 286.394 3.540 20 0 CHADMP Cc1ccc2cc[nH+]c(NC[C@@H]3CCC[NH2+]C[C@H]3C)c2c1 ZINC001155022670 1132637148 /nfs/dbraw/zinc/63/71/48/1132637148.db2.gz AMFICHCDLKAUBW-ZBFHGGJFSA-N 2 1 283.419 3.591 20 0 CHADMP C[NH+](C)Cc1cccc(CNc2cc(C3CC3)cc[nH+]2)c1 ZINC001156047670 1132679324 /nfs/dbraw/zinc/67/93/24/1132679324.db2.gz DYUUSZWXPJCYSF-UHFFFAOYSA-N 2 1 281.403 3.633 20 0 CHADMP C[NH+](C)Cc1cccc(CNc2cccc(C3CC3)[nH+]2)c1 ZINC001156052367 1132679667 /nfs/dbraw/zinc/67/96/67/1132679667.db2.gz UXWPULCUCKIEJX-UHFFFAOYSA-N 2 1 281.403 3.633 20 0 CHADMP Cc1cccc2c1cc[nH+]c2NCC[C@H]1CCC[N@@H+](C)C1 ZINC001156380225 1132690502 /nfs/dbraw/zinc/69/05/02/1132690502.db2.gz YUWUDVNZZUFTIV-OAHLLOKOSA-N 2 1 283.419 3.687 20 0 CHADMP Cc1cccc2c1cc[nH+]c2NCC[C@H]1CCC[N@H+](C)C1 ZINC001156380225 1132690505 /nfs/dbraw/zinc/69/05/05/1132690505.db2.gz YUWUDVNZZUFTIV-OAHLLOKOSA-N 2 1 283.419 3.687 20 0 CHADMP CC[NH+](CC)c1ccc(Nc2cccc3c2C[NH2+]C3)cc1 ZINC001159767255 1132906343 /nfs/dbraw/zinc/90/63/43/1132906343.db2.gz OJLMPUHEJBXCDS-UHFFFAOYSA-N 2 1 281.403 3.880 20 0 CHADMP c1[nH]c2ccc(Nc3ccccc3C3=CC[NH2+]CC3)cc2[nH+]1 ZINC001160023118 1132936689 /nfs/dbraw/zinc/93/66/89/1132936689.db2.gz HBVDPGANKGEFED-UHFFFAOYSA-N 2 1 290.370 3.683 20 0 CHADMP Cc1cc([NH+]2CCCCC2)ccc1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001162404570 1133074994 /nfs/dbraw/zinc/07/49/94/1133074994.db2.gz OIROYJFHNVSBLE-JKSUJKDBSA-N 2 1 287.451 3.667 20 0 CHADMP Cc1c[nH+]c(NCC[C@H]2CCC[N@@H+](C)C2)c2ccccc12 ZINC001165260487 1133233681 /nfs/dbraw/zinc/23/36/81/1133233681.db2.gz GVXPOCGMHXQFHT-OAHLLOKOSA-N 2 1 283.419 3.687 20 0 CHADMP Cc1c[nH+]c(NCC[C@H]2CCC[N@H+](C)C2)c2ccccc12 ZINC001165260487 1133233687 /nfs/dbraw/zinc/23/36/87/1133233687.db2.gz GVXPOCGMHXQFHT-OAHLLOKOSA-N 2 1 283.419 3.687 20 0 CHADMP Cc1c[nH+]c(NCC[C@@H]2CCC[N@@H+](C)C2)c2ccccc12 ZINC001165260486 1133234202 /nfs/dbraw/zinc/23/42/02/1133234202.db2.gz GVXPOCGMHXQFHT-HNNXBMFYSA-N 2 1 283.419 3.687 20 0 CHADMP Cc1c[nH+]c(NCC[C@@H]2CCC[N@H+](C)C2)c2ccccc12 ZINC001165260486 1133234204 /nfs/dbraw/zinc/23/42/04/1133234204.db2.gz GVXPOCGMHXQFHT-HNNXBMFYSA-N 2 1 283.419 3.687 20 0 CHADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C ZINC001206715467 1133265859 /nfs/dbraw/zinc/26/58/59/1133265859.db2.gz RPHIWQYKYWPTJG-GJZGRUSLSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@@H](C[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)C(C)(C)C ZINC001206715467 1133265863 /nfs/dbraw/zinc/26/58/63/1133265863.db2.gz RPHIWQYKYWPTJG-GJZGRUSLSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1cccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001203891895 1133381098 /nfs/dbraw/zinc/38/10/98/1133381098.db2.gz NJSXZXCXXVXSNM-IBGZPJMESA-N 2 1 286.463 3.835 20 0 CHADMP Cc1c[nH+]c(Nc2cccc(C[NH+]3CCCCC3)c2)c(N)c1 ZINC001204087214 1133406804 /nfs/dbraw/zinc/40/68/04/1133406804.db2.gz NSZQRUOUVQMEEI-UHFFFAOYSA-N 2 1 296.418 3.702 20 0 CHADMP C[N@@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)C1CCCCC1 ZINC001204598055 1133465556 /nfs/dbraw/zinc/46/55/56/1133465556.db2.gz FPSQZLHRWFGUMU-UHFFFAOYSA-N 2 1 297.446 3.509 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001204789830 1133485700 /nfs/dbraw/zinc/48/57/00/1133485700.db2.gz CVZTXYFYFGHFIT-LJQANCHMSA-N 2 1 280.415 3.585 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001204789830 1133485703 /nfs/dbraw/zinc/48/57/03/1133485703.db2.gz CVZTXYFYFGHFIT-LJQANCHMSA-N 2 1 280.415 3.585 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(C)ccc3ccccc32)C1 ZINC001205009589 1133517320 /nfs/dbraw/zinc/51/73/20/1133517320.db2.gz YCVLFYLUUVNHNT-MRXNPFEDSA-N 2 1 282.431 3.580 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC001205063779 1133522472 /nfs/dbraw/zinc/52/24/72/1133522472.db2.gz ALALNGNPKRAHMR-KXBFYZLASA-N 2 1 280.415 3.665 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC001205063779 1133522477 /nfs/dbraw/zinc/52/24/77/1133522477.db2.gz ALALNGNPKRAHMR-KXBFYZLASA-N 2 1 280.415 3.665 20 0 CHADMP C[C@H]1CC[C@@H](CN)[N@H+]1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001205068429 1133522933 /nfs/dbraw/zinc/52/29/33/1133522933.db2.gz INGBMCMSIDNGIJ-KBPBESRZSA-N 2 1 299.462 3.777 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001205068429 1133522935 /nfs/dbraw/zinc/52/29/35/1133522935.db2.gz INGBMCMSIDNGIJ-KBPBESRZSA-N 2 1 299.462 3.777 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001205068429 1133522937 /nfs/dbraw/zinc/52/29/37/1133522937.db2.gz INGBMCMSIDNGIJ-KBPBESRZSA-N 2 1 299.462 3.777 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(-c2cccs2)cc1 ZINC001205076467 1133523694 /nfs/dbraw/zinc/52/36/94/1133523694.db2.gz UJVFRBYMKRKRJY-BBRMVZONSA-N 2 1 286.444 3.727 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(-c2cccs2)cc1 ZINC001205076467 1133523698 /nfs/dbraw/zinc/52/36/98/1133523698.db2.gz UJVFRBYMKRKRJY-BBRMVZONSA-N 2 1 286.444 3.727 20 0 CHADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205093896 1133527632 /nfs/dbraw/zinc/52/76/32/1133527632.db2.gz HMVDFYCDBRKKCC-QFBILLFUSA-N 2 1 288.479 3.802 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205093469 1133528131 /nfs/dbraw/zinc/52/81/31/1133528131.db2.gz AWGVOTBFJYRDIW-MJSXRHKHSA-N 2 1 252.446 3.716 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205255422 1133550843 /nfs/dbraw/zinc/55/08/43/1133550843.db2.gz IRXJYXJEGMLJKI-CVEARBPZSA-N 2 1 252.446 3.572 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC001205305521 1133558290 /nfs/dbraw/zinc/55/82/90/1133558290.db2.gz SBEDSRHZOUYPBR-WBVHZDCISA-N 2 1 288.479 3.791 20 0 CHADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cccc3sccc32)CC1 ZINC001205578421 1133590640 /nfs/dbraw/zinc/59/06/40/1133590640.db2.gz BKJBWGSMXIAYQL-MRXNPFEDSA-N 2 1 292.423 3.554 20 0 CHADMP Cc1csc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1Cl ZINC001205616161 1133594987 /nfs/dbraw/zinc/59/49/87/1133594987.db2.gz DFBWCLZBLGTOKK-CMPLNLGQSA-N 2 1 286.872 3.517 20 0 CHADMP Cc1ccc(F)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1Cl ZINC001205617228 1133595018 /nfs/dbraw/zinc/59/50/18/1133595018.db2.gz INOPYZKAIWAQLW-AAEUAGOBSA-N 2 1 298.833 3.594 20 0 CHADMP CCc1cccc2c(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])CC3)c[nH]c21 ZINC001205615777 1133595064 /nfs/dbraw/zinc/59/50/64/1133595064.db2.gz AYGJUIDWFPKXHM-ZBFHGGJFSA-N 2 1 299.462 3.537 20 0 CHADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc(C)c1Cl ZINC001205652623 1133600305 /nfs/dbraw/zinc/60/03/05/1133600305.db2.gz QEEDVYOQOCSJQJ-LRDDRELGSA-N 2 1 294.870 3.764 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC001205716574 1133604695 /nfs/dbraw/zinc/60/46/95/1133604695.db2.gz JVPAUMROZHHHQV-IPMKNSEASA-N 2 1 286.463 3.787 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC001205716574 1133604699 /nfs/dbraw/zinc/60/46/99/1133604699.db2.gz JVPAUMROZHHHQV-IPMKNSEASA-N 2 1 286.463 3.787 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC001205718385 1133606071 /nfs/dbraw/zinc/60/60/71/1133606071.db2.gz YGHVDYFEOOLLIF-PMPSAXMXSA-N 2 1 266.473 3.665 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC001205718385 1133606074 /nfs/dbraw/zinc/60/60/74/1133606074.db2.gz YGHVDYFEOOLLIF-PMPSAXMXSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@@H](C)CC[C@@H]3CN)cc2)o1 ZINC001205830488 1133620380 /nfs/dbraw/zinc/62/03/80/1133620380.db2.gz STSKLRABHYASGL-KBXCAEBGSA-N 2 1 298.430 3.814 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@@H](C)CC[C@@H]3CN)cc2)o1 ZINC001205830488 1133620382 /nfs/dbraw/zinc/62/03/82/1133620382.db2.gz STSKLRABHYASGL-KBXCAEBGSA-N 2 1 298.430 3.814 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])cc2)o1 ZINC001205830488 1133620385 /nfs/dbraw/zinc/62/03/85/1133620385.db2.gz STSKLRABHYASGL-KBXCAEBGSA-N 2 1 298.430 3.814 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])cc2)o1 ZINC001205830488 1133620387 /nfs/dbraw/zinc/62/03/87/1133620387.db2.gz STSKLRABHYASGL-KBXCAEBGSA-N 2 1 298.430 3.814 20 0 CHADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205902993 1133628065 /nfs/dbraw/zinc/62/80/65/1133628065.db2.gz MHQRCIYDFDGVNN-GVDBMIGSSA-N 2 1 298.515 3.667 20 0 CHADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1CC1(c2ccccc2)CCCC1 ZINC001205901781 1133628174 /nfs/dbraw/zinc/62/81/74/1133628174.db2.gz GFRWADXMHYEEQF-IRXDYDNUSA-N 2 1 286.463 3.558 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205913030 1133630326 /nfs/dbraw/zinc/63/03/26/1133630326.db2.gz GFXBGLOAXVYISG-TZMCWYRMSA-N 2 1 288.460 3.769 20 0 CHADMP [NH3+][C@@H]1CCCC[N@@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC001205932294 1133633357 /nfs/dbraw/zinc/63/33/57/1133633357.db2.gz PZCMJOXNQOWKCU-OAHLLOKOSA-N 2 1 294.398 3.899 20 0 CHADMP CC(C)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC001205995777 1133639331 /nfs/dbraw/zinc/63/93/31/1133639331.db2.gz QEGBVDHNGCVBAC-QAPCUYQASA-N 2 1 274.452 3.617 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccc3cccccc2-3)CCC[C@@H]1C[NH3+] ZINC001206024148 1133643009 /nfs/dbraw/zinc/64/30/09/1133643009.db2.gz IBWSHUDPVZYLIT-NVXWUHKLSA-N 2 1 282.431 3.598 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc(C)c1Cl ZINC001206023763 1133643054 /nfs/dbraw/zinc/64/30/54/1133643054.db2.gz GNQYBDWRVMUIHN-HOCLYGCPSA-N 2 1 294.870 3.764 20 0 CHADMP Cc1c(F)ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1Cl ZINC001206023236 1133643467 /nfs/dbraw/zinc/64/34/67/1133643467.db2.gz DTZGUKADROICDU-AAEUAGOBSA-N 2 1 298.833 3.594 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccc3cccccc2-3)CCC[C@H]1C[NH3+] ZINC001206024149 1133643493 /nfs/dbraw/zinc/64/34/93/1133643493.db2.gz IBWSHUDPVZYLIT-RDJZCZTQSA-N 2 1 282.431 3.598 20 0 CHADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccc(-c2cccs2)cc1 ZINC001206263232 1133678299 /nfs/dbraw/zinc/67/82/99/1133678299.db2.gz RZTLQMUWOSSZLQ-AWEZNQCLSA-N 2 1 286.444 3.599 20 0 CHADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc(-c2cccs2)cc1 ZINC001206263232 1133678300 /nfs/dbraw/zinc/67/83/00/1133678300.db2.gz RZTLQMUWOSSZLQ-AWEZNQCLSA-N 2 1 286.444 3.599 20 0 CHADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccccc1-c1cccs1 ZINC001206263202 1133678644 /nfs/dbraw/zinc/67/86/44/1133678644.db2.gz QYZCSMSBANKBJD-AWEZNQCLSA-N 2 1 286.444 3.599 20 0 CHADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccccc1-c1cccs1 ZINC001206263202 1133678646 /nfs/dbraw/zinc/67/86/46/1133678646.db2.gz QYZCSMSBANKBJD-AWEZNQCLSA-N 2 1 286.444 3.599 20 0 CHADMP Cc1ccc(-c2cccc(C[N@H+]3CCC[NH2+]C[C@@H]3C)c2)cc1 ZINC001206262619 1133678830 /nfs/dbraw/zinc/67/88/30/1133678830.db2.gz BSLNIBRLQUBPPH-KRWDZBQOSA-N 2 1 294.442 3.846 20 0 CHADMP Cc1ccc(-c2cccc(C[N@@H+]3CCC[NH2+]C[C@@H]3C)c2)cc1 ZINC001206262619 1133678835 /nfs/dbraw/zinc/67/88/35/1133678835.db2.gz BSLNIBRLQUBPPH-KRWDZBQOSA-N 2 1 294.442 3.846 20 0 CHADMP CC1=CC[C@@H](CC[N@H+]2CCC[C@@](C)(C[NH3+])CC2)C1(C)C ZINC001206297266 1133685232 /nfs/dbraw/zinc/68/52/32/1133685232.db2.gz XAKGJRWYMWWIJZ-FUHWJXTLSA-N 2 1 278.484 3.820 20 0 CHADMP Cc1c(Cl)cccc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206327891 1133690080 /nfs/dbraw/zinc/69/00/80/1133690080.db2.gz ZOLZFNOAMZXWTA-MRXNPFEDSA-N 2 1 280.843 3.599 20 0 CHADMP Cc1cccc(Cl)c1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206547139 1133714937 /nfs/dbraw/zinc/71/49/37/1133714937.db2.gz BZAOBZHEXGJAFZ-MRXNPFEDSA-N 2 1 280.843 3.599 20 0 CHADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC001206549451 1133716661 /nfs/dbraw/zinc/71/66/61/1133716661.db2.gz NGODIUJIOMAJSY-MRXNPFEDSA-N 2 1 282.378 3.575 20 0 CHADMP CC(C)(C)c1cccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206556434 1133716908 /nfs/dbraw/zinc/71/69/08/1133716908.db2.gz RRZKFGYWILHKMT-IBGZPJMESA-N 2 1 288.479 3.935 20 0 CHADMP CSc1ccccc1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206591354 1133722796 /nfs/dbraw/zinc/72/27/96/1133722796.db2.gz SBSKATZRKMEROE-MRXNPFEDSA-N 2 1 292.492 3.761 20 0 CHADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206606582 1133726892 /nfs/dbraw/zinc/72/68/92/1133726892.db2.gz PYWPPOWDSWDBMO-SJORKVTESA-N 2 1 298.515 3.669 20 0 CHADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cccc2c(F)cccc12 ZINC001206811442 1133751037 /nfs/dbraw/zinc/75/10/37/1133751037.db2.gz UPSZZBCVTAQHJT-UONOGXRCSA-N 2 1 286.394 3.538 20 0 CHADMP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001206827459 1133753118 /nfs/dbraw/zinc/75/31/18/1133753118.db2.gz NVHJANHNKPNGDX-NXHRZFHOSA-N 2 1 292.511 3.913 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC001207103657 1133767054 /nfs/dbraw/zinc/76/70/54/1133767054.db2.gz YSSOERHSZUSADQ-NZSAHSFTSA-N 2 1 298.474 3.677 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207283956 1133787426 /nfs/dbraw/zinc/78/74/26/1133787426.db2.gz GDPSJFLGDGPBCU-QGZVFWFLSA-N 2 1 286.463 3.773 20 0 CHADMP Cc1cccc(C[N@H+](CC(C)(C)C[NH+](C)C)C2CC2)c1C ZINC001207284616 1133787909 /nfs/dbraw/zinc/78/79/09/1133787909.db2.gz QELOKFBPXFIECN-UHFFFAOYSA-N 2 1 288.479 3.856 20 0 CHADMP CC1(C)CCC[N@H+]1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207286989 1133789373 /nfs/dbraw/zinc/78/93/73/1133789373.db2.gz QCNKVWJLARDYEX-UHFFFAOYSA-N 2 1 286.463 3.773 20 0 CHADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)CC1 ZINC001207399333 1133797227 /nfs/dbraw/zinc/79/72/27/1133797227.db2.gz IYROBQVQCVYAFM-KRWDZBQOSA-N 2 1 292.854 3.819 20 0 CHADMP C[NH+]1CCC(CC[N@H+]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001207485336 1133805491 /nfs/dbraw/zinc/80/54/91/1133805491.db2.gz UWNWJIXYFJRKCC-LJQANCHMSA-N 2 1 286.463 3.598 20 0 CHADMP CC[C@@H](c1ccccc1)[N@@H+](C)CCC1CC[NH+](C)CC1 ZINC001207486997 1133805506 /nfs/dbraw/zinc/80/55/06/1133805506.db2.gz PSVIHTMJBODUHE-SFHVURJKSA-N 2 1 274.452 3.801 20 0 CHADMP C[N@@H+](CCC1CC[NH+](C)CC1)Cc1ccccc1Cl ZINC001207483332 1133806755 /nfs/dbraw/zinc/80/67/55/1133806755.db2.gz JPPHZUYLJLPHNP-UHFFFAOYSA-N 2 1 280.843 3.504 20 0 CHADMP Cc1ccccc1[C@@H]1CCC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207482351 1133806831 /nfs/dbraw/zinc/80/68/31/1133806831.db2.gz UUVNIGYLXCKXNA-IBGZPJMESA-N 2 1 286.463 3.864 20 0 CHADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC001208107757 1133876424 /nfs/dbraw/zinc/87/64/24/1133876424.db2.gz KDDHOKKELLSBJL-KRWDZBQOSA-N 2 1 290.426 3.695 20 0 CHADMP C[NH+]1CCC(C)(C[N@@H+]2CC=C(c3ccccc3)CC2)CC1 ZINC001208110072 1133877490 /nfs/dbraw/zinc/87/74/90/1133877490.db2.gz WEBXXTKAGJSPLU-UHFFFAOYSA-N 2 1 284.447 3.508 20 0 CHADMP C[NH+](C)CC1(C[N@@H+](Cc2ccccc2)C2CC2)CCCC1 ZINC001208186828 1133902913 /nfs/dbraw/zinc/90/29/13/1133902913.db2.gz ZRXUJGJXJKKNNS-UHFFFAOYSA-N 2 1 286.463 3.773 20 0 CHADMP C[N@H+]1CCC[C@H](CN2CCC[C@H]2c2ccc(Cl)s2)C1 ZINC001208613265 1133918151 /nfs/dbraw/zinc/91/81/51/1133918151.db2.gz SWSUWLWZYVOLOC-STQMWFEESA-N 2 1 298.883 3.880 20 0 CHADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@H]2c2ccc(Cl)s2)C1 ZINC001208613265 1133918163 /nfs/dbraw/zinc/91/81/63/1133918163.db2.gz SWSUWLWZYVOLOC-STQMWFEESA-N 2 1 298.883 3.880 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@H]2c2ccc(Cl)s2)C1 ZINC001208613265 1133918168 /nfs/dbraw/zinc/91/81/68/1133918168.db2.gz SWSUWLWZYVOLOC-STQMWFEESA-N 2 1 298.883 3.880 20 0 CHADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@H]2c2ccc(Cl)s2)C1 ZINC001208613265 1133918171 /nfs/dbraw/zinc/91/81/71/1133918171.db2.gz SWSUWLWZYVOLOC-STQMWFEESA-N 2 1 298.883 3.880 20 0 CHADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@H]2c2ccc(Cl)s2)C1 ZINC001208613265 1133918175 /nfs/dbraw/zinc/91/81/75/1133918175.db2.gz SWSUWLWZYVOLOC-STQMWFEESA-N 2 1 298.883 3.880 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@H](c3ccccc3)CC2)C1 ZINC001208613986 1133919264 /nfs/dbraw/zinc/91/92/64/1133919264.db2.gz BZYHUCIYXVZLEU-PKOBYXMFSA-N 2 1 286.463 3.598 20 0 CHADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)C1 ZINC001208613986 1133919268 /nfs/dbraw/zinc/91/92/68/1133919268.db2.gz BZYHUCIYXVZLEU-PKOBYXMFSA-N 2 1 286.463 3.598 20 0 CHADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@H](c3ccccc3)CC2)C1 ZINC001208613986 1133919270 /nfs/dbraw/zinc/91/92/70/1133919270.db2.gz BZYHUCIYXVZLEU-PKOBYXMFSA-N 2 1 286.463 3.598 20 0 CHADMP Cc1cccc(C[NH+](C[C@@H]2CCC[N@@H+](C)C2)C2CC2)c1C ZINC001208619574 1133920328 /nfs/dbraw/zinc/92/03/28/1133920328.db2.gz YGVBIFSXOOKDJZ-QGZVFWFLSA-N 2 1 286.463 3.610 20 0 CHADMP Cc1cccc(C[NH+](C[C@@H]2CCC[N@H+](C)C2)C2CC2)c1C ZINC001208619574 1133920331 /nfs/dbraw/zinc/92/03/31/1133920331.db2.gz YGVBIFSXOOKDJZ-QGZVFWFLSA-N 2 1 286.463 3.610 20 0 CHADMP Cc1cccc(C[N@@H+](C[C@@H]2CCC[NH+](C)C2)C2CC2)c1C ZINC001208619574 1133920333 /nfs/dbraw/zinc/92/03/33/1133920333.db2.gz YGVBIFSXOOKDJZ-QGZVFWFLSA-N 2 1 286.463 3.610 20 0 CHADMP Cc1cccc(C[N@H+](C[C@@H]2CCC[NH+](C)C2)C2CC2)c1C ZINC001208619574 1133920336 /nfs/dbraw/zinc/92/03/36/1133920336.db2.gz YGVBIFSXOOKDJZ-QGZVFWFLSA-N 2 1 286.463 3.610 20 0 CHADMP C[C@@H](CCN1CC2(C1)CC[N@@H+](CC1CC1)C2)CC(C)(C)C ZINC001208653134 1133922652 /nfs/dbraw/zinc/92/26/52/1133922652.db2.gz GHBDZSKMEDFRPF-INIZCTEOSA-N 2 1 292.511 3.867 20 0 CHADMP C[C@@H](CC[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2)CC(C)(C)C ZINC001208653134 1133922656 /nfs/dbraw/zinc/92/26/56/1133922656.db2.gz GHBDZSKMEDFRPF-INIZCTEOSA-N 2 1 292.511 3.867 20 0 CHADMP C[C@@H](CC[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2)CC(C)(C)C ZINC001208653134 1133922662 /nfs/dbraw/zinc/92/26/62/1133922662.db2.gz GHBDZSKMEDFRPF-INIZCTEOSA-N 2 1 292.511 3.867 20 0 CHADMP CC[N@@H+](C)C1CC[NH+](CC[C@H](C)CC(C)(C)C)CC1 ZINC001208664308 1133924059 /nfs/dbraw/zinc/92/40/59/1133924059.db2.gz SZLNFOPIYMFMHA-HNNXBMFYSA-N 2 1 268.489 3.865 20 0 CHADMP C[C@@H](C[N@H+](C)C1CC[NH+](C)CC1)c1cccc2ccccc21 ZINC001208704239 1133932430 /nfs/dbraw/zinc/93/24/30/1133932430.db2.gz IVRQIFGKPMGCLY-INIZCTEOSA-N 2 1 296.458 3.969 20 0 CHADMP C[C@@H](C[N@@H+](C)C1CC[NH+](C)CC1)c1cccc2ccccc21 ZINC001208704239 1133932435 /nfs/dbraw/zinc/93/24/35/1133932435.db2.gz IVRQIFGKPMGCLY-INIZCTEOSA-N 2 1 296.458 3.969 20 0 CHADMP CC/C=C\CC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001208732822 1133937759 /nfs/dbraw/zinc/93/77/59/1133937759.db2.gz FLEUWSNJMRGNKC-QZPVUJMKSA-N 2 1 298.474 3.797 20 0 CHADMP CC/C=C\CC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001208732822 1133937762 /nfs/dbraw/zinc/93/77/62/1133937762.db2.gz FLEUWSNJMRGNKC-QZPVUJMKSA-N 2 1 298.474 3.797 20 0 CHADMP CC/C=C\CC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001208732822 1133937764 /nfs/dbraw/zinc/93/77/64/1133937764.db2.gz FLEUWSNJMRGNKC-QZPVUJMKSA-N 2 1 298.474 3.797 20 0 CHADMP CC(C)CCC[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001208733284 1133938312 /nfs/dbraw/zinc/93/83/12/1133938312.db2.gz ABMKWSLZKRIAHL-HZPDHXFCSA-N 2 1 292.492 3.548 20 0 CHADMP CN1CCC[C@H]2C[N@@H+](CC3(c4ccccc4)CCCC3)C[C@H]21 ZINC001208779288 1133945180 /nfs/dbraw/zinc/94/51/80/1133945180.db2.gz HJJIXUPUFGQNQL-PKOBYXMFSA-N 2 1 298.474 3.524 20 0 CHADMP Cc1cc(N2CCCCC2)ccc1NC1=CC[N@@H+](C)CC1 ZINC001208910888 1133961452 /nfs/dbraw/zinc/96/14/52/1133961452.db2.gz UZIVCHYKTZUUPX-UHFFFAOYSA-N 2 1 285.435 3.617 20 0 CHADMP CC1CC([N@@H+](C)C[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001208930806 1133964326 /nfs/dbraw/zinc/96/43/26/1133964326.db2.gz FBEKOILVXANRQY-CUYAVPTFSA-N 2 1 286.463 3.629 20 0 CHADMP CC1CC([N@H+](C)C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208930806 1133964329 /nfs/dbraw/zinc/96/43/29/1133964329.db2.gz FBEKOILVXANRQY-CUYAVPTFSA-N 2 1 286.463 3.629 20 0 CHADMP CC1CC([N@@H+](C)C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208930806 1133964333 /nfs/dbraw/zinc/96/43/33/1133964333.db2.gz FBEKOILVXANRQY-CUYAVPTFSA-N 2 1 286.463 3.629 20 0 CHADMP CC1CC([NH+](C)C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208930806 1133964338 /nfs/dbraw/zinc/96/43/38/1133964338.db2.gz FBEKOILVXANRQY-CUYAVPTFSA-N 2 1 286.463 3.629 20 0 CHADMP CC1CC([NH+](C)C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208930806 1133964341 /nfs/dbraw/zinc/96/43/41/1133964341.db2.gz FBEKOILVXANRQY-CUYAVPTFSA-N 2 1 286.463 3.629 20 0 CHADMP CC[C@@H]1CC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208946818 1133965872 /nfs/dbraw/zinc/96/58/72/1133965872.db2.gz IVOYTFPQVUJIBF-MJGOQNOKSA-N 2 1 286.463 3.631 20 0 CHADMP CC[C@@H]1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208946818 1133965879 /nfs/dbraw/zinc/96/58/79/1133965879.db2.gz IVOYTFPQVUJIBF-MJGOQNOKSA-N 2 1 286.463 3.631 20 0 CHADMP CC[C@@H]1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208946818 1133965884 /nfs/dbraw/zinc/96/58/84/1133965884.db2.gz IVOYTFPQVUJIBF-MJGOQNOKSA-N 2 1 286.463 3.631 20 0 CHADMP CC(C)[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208948234 1133966007 /nfs/dbraw/zinc/96/60/07/1133966007.db2.gz FRZNBNMSDBWBOU-LJQANCHMSA-N 2 1 286.463 3.629 20 0 CHADMP CC(C)[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208948234 1133966010 /nfs/dbraw/zinc/96/60/10/1133966010.db2.gz FRZNBNMSDBWBOU-LJQANCHMSA-N 2 1 286.463 3.629 20 0 CHADMP CC(C)[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208948234 1133966014 /nfs/dbraw/zinc/96/60/14/1133966014.db2.gz FRZNBNMSDBWBOU-LJQANCHMSA-N 2 1 286.463 3.629 20 0 CHADMP CC(C)[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208948234 1133966018 /nfs/dbraw/zinc/96/60/18/1133966018.db2.gz FRZNBNMSDBWBOU-LJQANCHMSA-N 2 1 286.463 3.629 20 0 CHADMP CCC(CC)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208951287 1133966025 /nfs/dbraw/zinc/96/60/25/1133966025.db2.gz BJUOIBDVZNSLND-KRWDZBQOSA-N 2 1 274.452 3.629 20 0 CHADMP CCC(CC)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208951287 1133966027 /nfs/dbraw/zinc/96/60/27/1133966027.db2.gz BJUOIBDVZNSLND-KRWDZBQOSA-N 2 1 274.452 3.629 20 0 CHADMP CCC(CC)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208951287 1133966029 /nfs/dbraw/zinc/96/60/29/1133966029.db2.gz BJUOIBDVZNSLND-KRWDZBQOSA-N 2 1 274.452 3.629 20 0 CHADMP CCC[NH+](CCC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208945819 1133966101 /nfs/dbraw/zinc/96/61/01/1133966101.db2.gz DTSOSFDUZGDHDU-GOSISDBHSA-N 2 1 274.452 3.631 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCC[C@@H]4CCC[C@@H]43)C2)cc1 ZINC001208954597 1133966161 /nfs/dbraw/zinc/96/61/61/1133966161.db2.gz WOKKQFIIROXDGB-UFYCRDLUSA-N 2 1 298.474 3.773 20 0 CHADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CCC[C@@H]4CCC[C@@H]43)C2)cc1 ZINC001208954597 1133966162 /nfs/dbraw/zinc/96/61/62/1133966162.db2.gz WOKKQFIIROXDGB-UFYCRDLUSA-N 2 1 298.474 3.773 20 0 CHADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CCC[C@@H]4CCC[C@@H]43)C2)cc1 ZINC001208954597 1133966166 /nfs/dbraw/zinc/96/61/66/1133966166.db2.gz WOKKQFIIROXDGB-UFYCRDLUSA-N 2 1 298.474 3.773 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CC4(C3)CCCC4)C2)cc1 ZINC001208933378 1133966684 /nfs/dbraw/zinc/96/66/84/1133966684.db2.gz VECHIOJKUHYUAN-LJQANCHMSA-N 2 1 298.474 3.775 20 0 CHADMP CCOC(C)(C)C[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001209078360 1133972192 /nfs/dbraw/zinc/97/21/92/1133972192.db2.gz IBFZDWCGMGYJHN-UHFFFAOYSA-N 2 1 296.499 3.530 20 0 CHADMP C[C@@H]1CC[N@H+](Cc2ccccc2-c2cccs2)CC[NH2+]1 ZINC001210497145 1134230758 /nfs/dbraw/zinc/23/07/58/1134230758.db2.gz MACNYFMICQQDHF-CQSZACIVSA-N 2 1 286.444 3.599 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2-c2cccs2)CC[NH2+]1 ZINC001210497145 1134230763 /nfs/dbraw/zinc/23/07/63/1134230763.db2.gz MACNYFMICQQDHF-CQSZACIVSA-N 2 1 286.444 3.599 20 0 CHADMP CCC[C@@H](CC)Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001218214095 1135070742 /nfs/dbraw/zinc/07/07/42/1135070742.db2.gz KVSJIQGIPTVUQX-QGZVFWFLSA-N 2 1 290.451 3.567 20 0 CHADMP CC(C)CC[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309910567 1135119130 /nfs/dbraw/zinc/11/91/30/1135119130.db2.gz RURAEIGPISJXFZ-GOSISDBHSA-N 2 1 274.452 3.534 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000309931833 1135119459 /nfs/dbraw/zinc/11/94/59/1135119459.db2.gz WPFPVZLIVCWSDY-LFZDHENXSA-N 2 1 298.474 3.675 20 0 CHADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001222141755 1135199517 /nfs/dbraw/zinc/19/95/17/1135199517.db2.gz RZBUPMXMUXQXRP-LJQANCHMSA-N 2 1 286.463 3.560 20 0 CHADMP Cc1csc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222161882 1135202749 /nfs/dbraw/zinc/20/27/49/1135202749.db2.gz SFJALLXKTXSMNX-KRWDZBQOSA-N 2 1 292.492 3.802 20 0 CHADMP Cc1sccc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222171674 1135204061 /nfs/dbraw/zinc/20/40/61/1135204061.db2.gz DDNNWJIYKSLHNI-KRWDZBQOSA-N 2 1 292.492 3.802 20 0 CHADMP Cc1sccc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222171675 1135204536 /nfs/dbraw/zinc/20/45/36/1135204536.db2.gz DDNNWJIYKSLHNI-QGZVFWFLSA-N 2 1 292.492 3.802 20 0 CHADMP c1ccc2cc(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)ccc2c1 ZINC001222237705 1135212755 /nfs/dbraw/zinc/21/27/55/1135212755.db2.gz QKBNWQRVKVAROY-LJQANCHMSA-N 2 1 280.415 3.558 20 0 CHADMP c1ccc2cc(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)ccc2c1 ZINC001222237705 1135212757 /nfs/dbraw/zinc/21/27/57/1135212757.db2.gz QKBNWQRVKVAROY-LJQANCHMSA-N 2 1 280.415 3.558 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222259385 1135215539 /nfs/dbraw/zinc/21/55/39/1135215539.db2.gz OJUCDPHUSYLGGW-ZWKOTPCHSA-N 2 1 278.484 3.835 20 0 CHADMP C[C@@H](CC[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1)CC(C)(C)C ZINC001222258847 1135215555 /nfs/dbraw/zinc/21/55/55/1135215555.db2.gz HBVGYLSJOBCXDL-FUHWJXTLSA-N 2 1 280.500 3.914 20 0 CHADMP CCCc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)s1 ZINC001222265822 1135216544 /nfs/dbraw/zinc/21/65/44/1135216544.db2.gz ZVQATMAQXAREOA-QGZVFWFLSA-N 2 1 292.492 3.666 20 0 CHADMP c1cc2cc(C[NH+]3CCC4(CCCC[NH2+]4)CC3)ccc2o1 ZINC001222292705 1135219209 /nfs/dbraw/zinc/21/92/09/1135219209.db2.gz ITRQPXYWIXQZEB-UHFFFAOYSA-N 2 1 284.403 3.541 20 0 CHADMP CC(C)c1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc1 ZINC001222310867 1135223167 /nfs/dbraw/zinc/22/31/67/1135223167.db2.gz XAOHAHGNYNYVBV-IBGZPJMESA-N 2 1 286.463 3.918 20 0 CHADMP CSc1ccccc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222314507 1135224030 /nfs/dbraw/zinc/22/40/30/1135224030.db2.gz GYCIQEQBCLKONY-KRWDZBQOSA-N 2 1 290.476 3.517 20 0 CHADMP c1ccc(C2(C[N@@H+]3CCC[C@]4(CCC[NH2+]4)C3)CCCC2)cc1 ZINC001222346731 1135229936 /nfs/dbraw/zinc/22/99/36/1135229936.db2.gz RZBPNIUAXZCEEK-HXUWFJFHSA-N 2 1 298.474 3.716 20 0 CHADMP c1ccc(C2(C[N@H+]3CCC[C@]4(CCC[NH2+]4)C3)CCCC2)cc1 ZINC001222346731 1135229940 /nfs/dbraw/zinc/22/99/40/1135229940.db2.gz RZBPNIUAXZCEEK-HXUWFJFHSA-N 2 1 298.474 3.716 20 0 CHADMP C[C@H](C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)c1cccc2ccccc21 ZINC001222465820 1135244637 /nfs/dbraw/zinc/24/46/37/1135244637.db2.gz ZLDJWSNUEWOOIM-OXQOHEQNSA-N 2 1 294.442 3.771 20 0 CHADMP C[C@H](C[N@H+]1CC[C@]2(CCC[NH2+]2)C1)c1cccc2ccccc21 ZINC001222465820 1135244642 /nfs/dbraw/zinc/24/46/42/1135244642.db2.gz ZLDJWSNUEWOOIM-OXQOHEQNSA-N 2 1 294.442 3.771 20 0 CHADMP CC(C)=CCC[C@H](C)CC[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001226786270 1135741075 /nfs/dbraw/zinc/74/10/75/1135741075.db2.gz YNTDAXWGWAKYRN-KRWDZBQOSA-N 2 1 278.484 3.977 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+]C3CCCCC3)CC2)cc1 ZINC000017744593 230371977 /nfs/dbraw/zinc/37/19/77/230371977.db2.gz BCPBGAQXHVJHLH-UHFFFAOYSA-N 2 1 272.436 3.573 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)[C@H]2CCC[C@@H]21 ZINC000353688043 529806640 /nfs/dbraw/zinc/80/66/40/529806640.db2.gz NVAQHLLNIYEDMM-QYZOEREBSA-N 2 1 284.447 3.526 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000574220676 335002245 /nfs/dbraw/zinc/00/22/45/335002245.db2.gz IXTHAAQJXJPVJL-SJORKVTESA-N 2 1 266.473 3.690 20 0 CHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC000347045668 532984587 /nfs/dbraw/zinc/98/45/87/532984587.db2.gz NVFQACYZBBMNPR-OXQOHEQNSA-N 2 1 294.442 3.913 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]C1(c2ccccc2)CCC1 ZINC000179449402 260048637 /nfs/dbraw/zinc/04/86/37/260048637.db2.gz CGEMEXSFGVIUJA-UHFFFAOYSA-N 2 1 283.419 3.641 20 0 CHADMP CCC(CC)[C@@H](C[NH2+]C1CCC(CC)CC1)[NH+](C)C ZINC000021516707 171313050 /nfs/dbraw/zinc/31/30/50/171313050.db2.gz LPEJCVYLQBADCK-BDVYOWHSSA-N 2 1 268.489 3.911 20 0 CHADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000038041690 174042890 /nfs/dbraw/zinc/04/28/90/174042890.db2.gz XBEZWGPSDIFWBF-UONOGXRCSA-N 2 1 296.405 3.737 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c(C)o1 ZINC000038041923 174044811 /nfs/dbraw/zinc/04/48/11/174044811.db2.gz HIBCNLWPKQVJOG-HIFRSBDPSA-N 2 1 278.440 3.669 20 0 CHADMP C[NH+](C)C(C)(C)CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000038219348 174137662 /nfs/dbraw/zinc/13/76/62/174137662.db2.gz ZQIWEDIJLRRVIY-UHFFFAOYSA-N 2 1 277.799 3.640 20 0 CHADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2cc(C)oc2C)CC1 ZINC000037150545 260071153 /nfs/dbraw/zinc/07/11/53/260071153.db2.gz RFPXEZVLRZGWFM-CQSZACIVSA-N 2 1 278.440 3.812 20 0 CHADMP CCc1oc2ccccc2c1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442920576 227213056 /nfs/dbraw/zinc/21/30/56/227213056.db2.gz LTMRMKVXPDDTIP-AWEZNQCLSA-N 2 1 286.419 3.556 20 0 CHADMP Cc1ccc(CCC[N@H+]2CCc3ccccc3[C@@H]2C)cn1 ZINC000353614127 228131656 /nfs/dbraw/zinc/13/16/56/228131656.db2.gz GRQDCVGPLKEQJO-INIZCTEOSA-N 2 1 280.415 3.942 20 0 CHADMP Cc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353679005 228143947 /nfs/dbraw/zinc/14/39/47/228143947.db2.gz FRHKATPLFHUVEH-JQHSSLGASA-N 2 1 298.430 3.704 20 0 CHADMP C1C[C@H]2C[C@@H]([NH2+][C@H]3CCCC34CCCCC4)CC[N@H+]2C1 ZINC000313037046 260240447 /nfs/dbraw/zinc/24/04/47/260240447.db2.gz NEKVRRIQQNLPFY-ULQDDVLXSA-N 2 1 276.468 3.706 20 0 CHADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCc2occc21 ZINC000093514258 260290487 /nfs/dbraw/zinc/29/04/87/260290487.db2.gz OKBFNAWTCBHTCJ-IIAWOOMASA-N 2 1 276.424 3.557 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(C)(C)c3ccccc32)CC[N@@H+]1C ZINC000128104829 260372759 /nfs/dbraw/zinc/37/27/59/260372759.db2.gz DOHWLYQXHONYAW-IIDMSEBBSA-N 2 1 286.463 3.871 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(C)(C)c3ccccc32)CC[N@H+]1C ZINC000128104829 260372761 /nfs/dbraw/zinc/37/27/61/260372761.db2.gz DOHWLYQXHONYAW-IIDMSEBBSA-N 2 1 286.463 3.871 20 0 CHADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000128447624 260375238 /nfs/dbraw/zinc/37/52/38/260375238.db2.gz LPQVLTAFVVSVLS-AWEZNQCLSA-N 2 1 288.357 3.511 20 0 CHADMP c1ccc(CC[NH+]2CCC([NH2+]C3CC4(CCC4)C3)CC2)cc1 ZINC000448063814 260804554 /nfs/dbraw/zinc/80/45/54/260804554.db2.gz LRBRIBCVFKETEW-UHFFFAOYSA-N 2 1 298.474 3.616 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CC3(CCC3)C2)cc1F ZINC000448067277 260808954 /nfs/dbraw/zinc/80/89/54/260808954.db2.gz PKLQLBWUWDQJLI-UHFFFAOYSA-N 2 1 299.393 3.742 20 0 CHADMP CCOc1ccccc1[C@H](CC)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000153945208 261085738 /nfs/dbraw/zinc/08/57/38/261085738.db2.gz XQOZJYLZIARZOW-INMHGKMJSA-N 2 1 290.451 3.609 20 0 CHADMP CCOc1ccccc1[C@H](CC)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000153945208 261085739 /nfs/dbraw/zinc/08/57/39/261085739.db2.gz XQOZJYLZIARZOW-INMHGKMJSA-N 2 1 290.451 3.609 20 0 CHADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157136677 261141586 /nfs/dbraw/zinc/14/15/86/261141586.db2.gz KTWGWPUGRDYAHS-AEFFLSMTSA-N 2 1 272.436 3.698 20 0 CHADMP CC1=C[C@@H](C)C[C@@H](C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000300161599 261178608 /nfs/dbraw/zinc/17/86/08/261178608.db2.gz SMZRZQFBJHWYGU-CGCLCEIZSA-N 2 1 276.468 3.584 20 0 CHADMP C[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC000249059460 261239402 /nfs/dbraw/zinc/23/94/02/261239402.db2.gz ZQCLAHPYVPZRTG-ADBPUSHGSA-N 2 1 284.447 3.840 20 0 CHADMP CC[NH+](CC)[C@H](CNc1cc(C)[nH+]c(C)n1)c1ccccc1 ZINC000301089083 261330214 /nfs/dbraw/zinc/33/02/14/261330214.db2.gz RJMRRAYKAMQMLW-QGZVFWFLSA-N 2 1 298.434 3.588 20 0 CHADMP Cc1cncc([C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)c1 ZINC000184376290 262018223 /nfs/dbraw/zinc/01/82/23/262018223.db2.gz ZSUYDJJOAAUZDM-INIZCTEOSA-N 2 1 277.456 3.550 20 0 CHADMP c1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cs1 ZINC000093016868 262151064 /nfs/dbraw/zinc/15/10/64/262151064.db2.gz FIIDKMUKBZZZNO-INIZCTEOSA-N 2 1 292.492 3.836 20 0 CHADMP c1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cs1 ZINC000093016868 262151062 /nfs/dbraw/zinc/15/10/62/262151062.db2.gz FIIDKMUKBZZZNO-INIZCTEOSA-N 2 1 292.492 3.836 20 0 CHADMP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cccc(F)c1 ZINC000019230744 262174065 /nfs/dbraw/zinc/17/40/65/262174065.db2.gz CCJWVKXTQUREDR-OAHLLOKOSA-N 2 1 278.415 3.598 20 0 CHADMP CCC(CC)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000019914593 262206061 /nfs/dbraw/zinc/20/60/61/262206061.db2.gz YRBIYHWSISONMW-UHFFFAOYSA-N 2 1 274.452 3.677 20 0 CHADMP CC[C@@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390563496 262218541 /nfs/dbraw/zinc/21/85/41/262218541.db2.gz NAEYEJLITPOOBJ-AEFFLSMTSA-N 2 1 288.479 3.923 20 0 CHADMP CC[C@@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390563496 262218542 /nfs/dbraw/zinc/21/85/42/262218542.db2.gz NAEYEJLITPOOBJ-AEFFLSMTSA-N 2 1 288.479 3.923 20 0 CHADMP CC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000500073896 262253195 /nfs/dbraw/zinc/25/31/95/262253195.db2.gz JLTORSVAUQMNRC-MJGOQNOKSA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000500073896 262253196 /nfs/dbraw/zinc/25/31/96/262253196.db2.gz JLTORSVAUQMNRC-MJGOQNOKSA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000500073896 262253197 /nfs/dbraw/zinc/25/31/97/262253197.db2.gz JLTORSVAUQMNRC-MJGOQNOKSA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000500073896 262253198 /nfs/dbraw/zinc/25/31/98/262253198.db2.gz JLTORSVAUQMNRC-MJGOQNOKSA-N 2 1 286.463 3.773 20 0 CHADMP C[N@H+](CCC[NH2+][C@H]1CCCc2occc21)C1CCCCC1 ZINC000122214249 262345765 /nfs/dbraw/zinc/34/57/65/262345765.db2.gz NPQDJZDZMRTAAR-KRWDZBQOSA-N 2 1 290.451 3.901 20 0 CHADMP C[N@@H+](CCC[NH2+][C@H]1CCCc2occc21)C1CCCCC1 ZINC000122214249 262345766 /nfs/dbraw/zinc/34/57/66/262345766.db2.gz NPQDJZDZMRTAAR-KRWDZBQOSA-N 2 1 290.451 3.901 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000319700961 262351063 /nfs/dbraw/zinc/35/10/63/262351063.db2.gz TWZTVUHRUZIFTK-OXQOHEQNSA-N 2 1 294.442 3.783 20 0 CHADMP C[C@H]1CCC[C@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)C1 ZINC000021053731 262375149 /nfs/dbraw/zinc/37/51/49/262375149.db2.gz MDIZDWABVHQUGZ-WMZOPIPTSA-N 2 1 274.452 3.677 20 0 CHADMP Cc1cccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1C ZINC000414197486 262817358 /nfs/dbraw/zinc/81/73/58/262817358.db2.gz WNSYGTXLNKJAEE-DLBZAZTESA-N 2 1 274.452 3.686 20 0 CHADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414700940 263033000 /nfs/dbraw/zinc/03/30/00/263033000.db2.gz KIEJHUTYGFMQEM-FMKPAKJESA-N 2 1 294.870 3.591 20 0 CHADMP c1ccc2cc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)ccc2c1 ZINC000414787705 263048232 /nfs/dbraw/zinc/04/82/32/263048232.db2.gz VXGXBTZJLQVLOH-PMACEKPBSA-N 2 1 294.442 3.661 20 0 CHADMP Cc1ccc2cc(C[NH2+][C@H](C[NH3+])C3CCCCC3)ccc2n1 ZINC000414833426 263056595 /nfs/dbraw/zinc/05/65/95/263056595.db2.gz FQLNAGAGIVTFPT-LJQANCHMSA-N 2 1 297.446 3.540 20 0 CHADMP C[C@@H]1[C@H]([NH2+][C@H](C[NH3+])C2CCCCC2)C[C@H]1c1ccccc1 ZINC000414834043 263056922 /nfs/dbraw/zinc/05/69/22/263056922.db2.gz GHOBJIQWYIUAOS-JEDBISTDSA-N 2 1 286.463 3.676 20 0 CHADMP C[C@H](CCc1ccccc1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414838363 263057553 /nfs/dbraw/zinc/05/75/53/263057553.db2.gz KMKMBQXGEIDMQP-QAPCUYQASA-N 2 1 274.452 3.505 20 0 CHADMP C[C@H](CC[NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000414854815 263071460 /nfs/dbraw/zinc/07/14/60/263071460.db2.gz VPRDVQSIGPAUTJ-QAPCUYQASA-N 2 1 274.452 3.677 20 0 CHADMP CC[C@H](Cc1ccccc1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414855090 263071700 /nfs/dbraw/zinc/07/17/00/263071700.db2.gz WDIKXRWUZSSSSU-QZTJIDSGSA-N 2 1 274.452 3.505 20 0 CHADMP Cc1cc2cc(C[NH2+]C[C@]3(C)CCC[NH2+]C3)oc2cc1C ZINC000414906423 263112940 /nfs/dbraw/zinc/11/29/40/263112940.db2.gz PMICIWNDGYVVOS-GOSISDBHSA-N 2 1 286.419 3.529 20 0 CHADMP c1cc(C2CC2)ccc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415041065 263257375 /nfs/dbraw/zinc/25/73/75/263257375.db2.gz KVFUGSVVCPMQFV-MOPGFXCFSA-N 2 1 284.447 3.528 20 0 CHADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1csc(Cl)c1 ZINC000453391576 263260398 /nfs/dbraw/zinc/26/03/98/263260398.db2.gz DUOVOXGDDOBVSB-NSHDSACASA-N 2 1 286.872 3.927 20 0 CHADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415078907 263267865 /nfs/dbraw/zinc/26/78/65/263267865.db2.gz JGNQBLOHELGLLL-NRSFXHEJSA-N 2 1 272.436 3.648 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CCCCCc2ccc(F)cc2)CC[N@H+]1C ZINC000187759357 263267880 /nfs/dbraw/zinc/26/78/80/263267880.db2.gz ADECPNNBMJACFG-MAUKXSAKSA-N 2 1 292.442 3.611 20 0 CHADMP Cc1cccc(NCc2ccccc2C[N@@H+](C)C(C)C)[nH+]1 ZINC000127755156 264259731 /nfs/dbraw/zinc/25/97/31/264259731.db2.gz RXXYNBLLVICDBE-UHFFFAOYSA-N 2 1 283.419 3.842 20 0 CHADMP Cc1cccc(NCc2ccccc2C[N@H+](C)C(C)C)[nH+]1 ZINC000127755156 264259733 /nfs/dbraw/zinc/25/97/33/264259733.db2.gz RXXYNBLLVICDBE-UHFFFAOYSA-N 2 1 283.419 3.842 20 0 CHADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1cccs1 ZINC000132197615 264386567 /nfs/dbraw/zinc/38/65/67/264386567.db2.gz UGXQILIUPGCGKE-ZLKJLUDKSA-N 2 1 258.390 3.544 20 0 CHADMP CC[C@H](c1ccccc1)[N@H+](CC)CCn1cc[nH+]c1C ZINC000346280474 265108083 /nfs/dbraw/zinc/10/80/83/265108083.db2.gz RVSHULSZCGIIPO-QGZVFWFLSA-N 2 1 271.408 3.665 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+](CC)CCn1cc[nH+]c1C ZINC000346280474 265108085 /nfs/dbraw/zinc/10/80/85/265108085.db2.gz RVSHULSZCGIIPO-QGZVFWFLSA-N 2 1 271.408 3.665 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000348240490 265147341 /nfs/dbraw/zinc/14/73/41/265147341.db2.gz IBIXIGBDIHYSNH-NZSAHSFTSA-N 2 1 286.463 3.500 20 0 CHADMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cc(F)cc(F)c1 ZINC000094826270 265260293 /nfs/dbraw/zinc/26/02/93/265260293.db2.gz ZBXDIYWKAPPWOP-LLVKDONJSA-N 2 1 296.405 3.925 20 0 CHADMP CC(C)CC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CCCC1 ZINC000094873689 265267547 /nfs/dbraw/zinc/26/75/47/265267547.db2.gz SGMGZYLCVLLKBM-BRWVUGGUSA-N 2 1 280.500 3.911 20 0 CHADMP CC[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1cc(C)ccc1OC ZINC000357802966 266367870 /nfs/dbraw/zinc/36/78/70/266367870.db2.gz ZKJFWYKPSCUEHD-VYDXJSESSA-N 2 1 290.451 3.527 20 0 CHADMP CC[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(C)ccc1OC ZINC000357802966 266367875 /nfs/dbraw/zinc/36/78/75/266367875.db2.gz ZKJFWYKPSCUEHD-VYDXJSESSA-N 2 1 290.451 3.527 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cc(C)ccc1OC ZINC000357802966 266367878 /nfs/dbraw/zinc/36/78/78/266367878.db2.gz ZKJFWYKPSCUEHD-VYDXJSESSA-N 2 1 290.451 3.527 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(C)ccc1OC ZINC000357802966 266367882 /nfs/dbraw/zinc/36/78/82/266367882.db2.gz ZKJFWYKPSCUEHD-VYDXJSESSA-N 2 1 290.451 3.527 20 0 CHADMP Cc1nc(C)c([C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)s1 ZINC000357838197 266374060 /nfs/dbraw/zinc/37/40/60/266374060.db2.gz WEGADEKJQHOFAF-GFCCVEGCSA-N 2 1 295.496 3.533 20 0 CHADMP Cc1cc2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)oc2cc1C ZINC000370097117 267290967 /nfs/dbraw/zinc/29/09/67/267290967.db2.gz KGSIAZCHRIEAMH-IRXDYDNUSA-N 2 1 298.430 3.766 20 0 CHADMP Cc1cc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)oc2cc1C ZINC000370097117 267290970 /nfs/dbraw/zinc/29/09/70/267290970.db2.gz KGSIAZCHRIEAMH-IRXDYDNUSA-N 2 1 298.430 3.766 20 0 CHADMP CC(C)C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccs1 ZINC000531724909 328023626 /nfs/dbraw/zinc/02/36/26/328023626.db2.gz ARCZPQXGABUZRB-KKUMJFAQSA-N 2 1 280.481 3.908 20 0 CHADMP CC(C)C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccs1 ZINC000531724909 328023627 /nfs/dbraw/zinc/02/36/27/328023627.db2.gz ARCZPQXGABUZRB-KKUMJFAQSA-N 2 1 280.481 3.908 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H](CC2CC2)c2ccccc2)CC[N@@H+]1C ZINC000531725286 328023861 /nfs/dbraw/zinc/02/38/61/328023861.db2.gz ZJYVBABRUPRWKT-FHLIZLRMSA-N 2 1 272.436 3.600 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H](CC2CC2)c2ccccc2)CC[N@H+]1C ZINC000531725286 328023862 /nfs/dbraw/zinc/02/38/62/328023862.db2.gz ZJYVBABRUPRWKT-FHLIZLRMSA-N 2 1 272.436 3.600 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000531699972 328025667 /nfs/dbraw/zinc/02/56/67/328025667.db2.gz ZXYZAPBHBODJCP-GOSISDBHSA-N 2 1 283.419 3.713 20 0 CHADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc2ccccc2c1 ZINC000534022433 328033006 /nfs/dbraw/zinc/03/30/06/328033006.db2.gz MDMUMAQRPYABSV-IBGZPJMESA-N 2 1 282.431 3.756 20 0 CHADMP Cc1cccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1C ZINC000534347193 328047229 /nfs/dbraw/zinc/04/72/29/328047229.db2.gz WKWNWPBSJSZGQC-UHFFFAOYSA-N 2 1 288.479 3.856 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1C(C)(C)C ZINC000534351436 328048014 /nfs/dbraw/zinc/04/80/14/328048014.db2.gz CHRKCQWOFKBFJP-AWEZNQCLSA-N 2 1 274.452 3.729 20 0 CHADMP CCC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000401766474 328056999 /nfs/dbraw/zinc/05/69/99/328056999.db2.gz GNUDJXJNGDMOLR-INIZCTEOSA-N 2 1 291.826 3.747 20 0 CHADMP Cc1ccc([C@H](C)[N@H+](C)CCCc2c[nH+]cn2C)c(C)c1 ZINC000563358135 328056179 /nfs/dbraw/zinc/05/61/79/328056179.db2.gz WCHDCQAEHPKLGE-INIZCTEOSA-N 2 1 285.435 3.663 20 0 CHADMP Cc1ccc([C@H](C)[N@@H+](C)CCCc2c[nH+]cn2C)c(C)c1 ZINC000563358135 328056181 /nfs/dbraw/zinc/05/61/81/328056181.db2.gz WCHDCQAEHPKLGE-INIZCTEOSA-N 2 1 285.435 3.663 20 0 CHADMP CC[NH2+]CCC[NH2+][C@H]1CCCOc2ccc(C(C)C)cc21 ZINC000571394758 328118281 /nfs/dbraw/zinc/11/82/81/328118281.db2.gz JYJUQSDJTPKMEO-KRWDZBQOSA-N 2 1 290.451 3.613 20 0 CHADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000571514276 328130060 /nfs/dbraw/zinc/13/00/60/328130060.db2.gz JNGFRRIHGSNXPN-GBESFXJTSA-N 2 1 278.399 3.717 20 0 CHADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(-c2ccccc2)c1 ZINC000571578189 328134846 /nfs/dbraw/zinc/13/48/46/328134846.db2.gz GKKVZHHZFNPFOA-DNVCBOLYSA-N 2 1 280.415 3.665 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CCC2CCCCCC2)C1 ZINC000394621104 329125963 /nfs/dbraw/zinc/12/59/63/329125963.db2.gz LNNLSBNGBAZEHZ-KRWDZBQOSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2cccc3ccccc32)CC[NH2+]1 ZINC000414672342 328212655 /nfs/dbraw/zinc/21/26/55/328212655.db2.gz HGYHZJRUUUNKJE-CVEARBPZSA-N 2 1 282.431 3.660 20 0 CHADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H](C)c1ccc(F)cc1 ZINC000414696590 328214826 /nfs/dbraw/zinc/21/48/26/328214826.db2.gz GODYUUZTRXHPOS-RRFJBIMHSA-N 2 1 278.415 3.597 20 0 CHADMP C[C@@H](CN)[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000414954034 328279947 /nfs/dbraw/zinc/27/99/47/328279947.db2.gz MLHSRQNKFYEYRB-JTQLQIEISA-N 2 1 280.824 3.505 20 0 CHADMP C[C@@H](C[NH3+])[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000414954034 328279949 /nfs/dbraw/zinc/27/99/49/328279949.db2.gz MLHSRQNKFYEYRB-JTQLQIEISA-N 2 1 280.824 3.505 20 0 CHADMP C/C(Cl)=C/C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000528458045 328287055 /nfs/dbraw/zinc/28/70/55/328287055.db2.gz RIXLZJMWTITLJU-JTPKAURKSA-N 2 1 292.854 3.629 20 0 CHADMP Cc1ccccc1CC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415083082 328302629 /nfs/dbraw/zinc/30/26/29/328302629.db2.gz FEHOMFQQPGGVDP-UXHICEINSA-N 2 1 294.442 3.620 20 0 CHADMP Cc1ccsc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415084332 328302949 /nfs/dbraw/zinc/30/29/49/328302949.db2.gz OTUSGAHRCXOPPJ-CVEARBPZSA-N 2 1 286.444 3.639 20 0 CHADMP CC[C@@H]1CCC[C@H]1[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000531947167 328328625 /nfs/dbraw/zinc/32/86/25/328328625.db2.gz JNIFJAAFNGXSPP-GVDBMIGSSA-N 2 1 266.473 3.809 20 0 CHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000111192336 328335148 /nfs/dbraw/zinc/33/51/48/328335148.db2.gz ZGIVSZHHQZZZMV-FQEVSTJZSA-N 2 1 298.474 3.939 20 0 CHADMP CC(C)[C@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000531957201 328338986 /nfs/dbraw/zinc/33/89/86/328338986.db2.gz FJUAIAFTVJVNJS-ZBFHGGJFSA-N 2 1 266.473 3.521 20 0 CHADMP CC(C)[C@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000531957201 328338988 /nfs/dbraw/zinc/33/89/88/328338988.db2.gz FJUAIAFTVJVNJS-ZBFHGGJFSA-N 2 1 266.473 3.521 20 0 CHADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000049553098 328371604 /nfs/dbraw/zinc/37/16/04/328371604.db2.gz NWGZSNPFWLFYJN-NEPJUHHUSA-N 2 1 288.357 3.696 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc(Cl)cc32)CC[N@@H+]1C ZINC000534972181 328372392 /nfs/dbraw/zinc/37/23/92/328372392.db2.gz LIZKAWCPXGJDBL-VMGRFDJRSA-N 2 1 292.854 3.790 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc(Cl)cc32)CC[N@H+]1C ZINC000534972181 328372393 /nfs/dbraw/zinc/37/23/93/328372393.db2.gz LIZKAWCPXGJDBL-VMGRFDJRSA-N 2 1 292.854 3.790 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000534976710 328372705 /nfs/dbraw/zinc/37/27/05/328372705.db2.gz OZYRRCPPUZDOJM-INIZCTEOSA-N 2 1 289.810 3.512 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(C(C)C)CC2)[C@@H](C)C1 ZINC000531993281 328386037 /nfs/dbraw/zinc/38/60/37/328386037.db2.gz IXDVLAWZFKUVNJ-ZGRYLRDCSA-N 2 1 266.473 3.521 20 0 CHADMP Cc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1C ZINC000506342334 332770635 /nfs/dbraw/zinc/77/06/35/332770635.db2.gz NTDBUBAQRSEKKE-UHFFFAOYSA-N 2 1 286.463 3.754 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000558226558 327079492 /nfs/dbraw/zinc/07/94/92/327079492.db2.gz POXNLOQXKSBCEZ-IKGGRYGDSA-N 2 1 280.500 3.913 20 0 CHADMP Cc1ccncc1CCC[N@H+](C)[C@H]1CCCC[C@H]1C ZINC000573249514 327129581 /nfs/dbraw/zinc/12/95/81/327129581.db2.gz NCDORRBPFFAMAA-WBVHZDCISA-N 2 1 260.425 3.833 20 0 CHADMP c1cc(C2CCC2)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000559243720 327149514 /nfs/dbraw/zinc/14/95/14/327149514.db2.gz OFRSRJCUDSNYES-MOPGFXCFSA-N 2 1 284.447 3.671 20 0 CHADMP c1cc(C2CCC2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000559243720 327149515 /nfs/dbraw/zinc/14/95/15/327149515.db2.gz OFRSRJCUDSNYES-MOPGFXCFSA-N 2 1 284.447 3.671 20 0 CHADMP c1cc(C2CCC2)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000559243726 327149658 /nfs/dbraw/zinc/14/96/58/327149658.db2.gz OFRSRJCUDSNYES-RTBURBONSA-N 2 1 284.447 3.671 20 0 CHADMP c1cc(C2CCC2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000559243726 327149660 /nfs/dbraw/zinc/14/96/60/327149660.db2.gz OFRSRJCUDSNYES-RTBURBONSA-N 2 1 284.447 3.671 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261597679 327151902 /nfs/dbraw/zinc/15/19/02/327151902.db2.gz ATBSQOGTTQQEHN-NIKGAXFTSA-N 2 1 280.415 3.585 20 0 CHADMP C[C@@H]1CCC[C@@H](CC[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000559312766 327158178 /nfs/dbraw/zinc/15/81/78/327158178.db2.gz SYBRWUQEOYBEDZ-FGTMMUONSA-N 2 1 278.484 3.621 20 0 CHADMP C[C@@H]1CCC[C@@H](CC[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)C1 ZINC000559312766 327158179 /nfs/dbraw/zinc/15/81/79/327158179.db2.gz SYBRWUQEOYBEDZ-FGTMMUONSA-N 2 1 278.484 3.621 20 0 CHADMP C[C@@H]1CCC[C@@H](CC[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000559312766 327158181 /nfs/dbraw/zinc/15/81/81/327158181.db2.gz SYBRWUQEOYBEDZ-FGTMMUONSA-N 2 1 278.484 3.621 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)CCCC(C)(C)C)CC1 ZINC000410344566 327187364 /nfs/dbraw/zinc/18/73/64/327187364.db2.gz LNPMPAKXYTXAJY-UHFFFAOYSA-N 2 1 254.462 3.617 20 0 CHADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000569444336 327178246 /nfs/dbraw/zinc/17/82/46/327178246.db2.gz XSKJCYNTFGAHCJ-UXLLHSPISA-N 2 1 292.492 3.738 20 0 CHADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000569444336 327178247 /nfs/dbraw/zinc/17/82/47/327178247.db2.gz XSKJCYNTFGAHCJ-UXLLHSPISA-N 2 1 292.492 3.738 20 0 CHADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000569444326 327178321 /nfs/dbraw/zinc/17/83/21/327178321.db2.gz XSKJCYNTFGAHCJ-BFYDXBDKSA-N 2 1 292.492 3.738 20 0 CHADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000569444326 327178322 /nfs/dbraw/zinc/17/83/22/327178322.db2.gz XSKJCYNTFGAHCJ-BFYDXBDKSA-N 2 1 292.492 3.738 20 0 CHADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000043388293 327252704 /nfs/dbraw/zinc/25/27/04/327252704.db2.gz HBTIIWCDKBSYKR-ZDUSSCGKSA-N 2 1 298.833 3.833 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000043388293 327252705 /nfs/dbraw/zinc/25/27/05/327252705.db2.gz HBTIIWCDKBSYKR-ZDUSSCGKSA-N 2 1 298.833 3.833 20 0 CHADMP Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000559732860 327258757 /nfs/dbraw/zinc/25/87/57/327258757.db2.gz AIKGWGKETQYMAW-WOJBJXKFSA-N 2 1 294.442 3.920 20 0 CHADMP Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000559732860 327258758 /nfs/dbraw/zinc/25/87/58/327258758.db2.gz AIKGWGKETQYMAW-WOJBJXKFSA-N 2 1 294.442 3.920 20 0 CHADMP CC(C)C[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000560701959 327337553 /nfs/dbraw/zinc/33/75/53/327337553.db2.gz OKHHLONUECRWKV-IEBWSBKVSA-N 2 1 288.479 3.875 20 0 CHADMP CC(C)C[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000560701959 327337554 /nfs/dbraw/zinc/33/75/54/327337554.db2.gz OKHHLONUECRWKV-IEBWSBKVSA-N 2 1 288.479 3.875 20 0 CHADMP CC(C)C[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000560701959 327337556 /nfs/dbraw/zinc/33/75/56/327337556.db2.gz OKHHLONUECRWKV-IEBWSBKVSA-N 2 1 288.479 3.875 20 0 CHADMP CC(C)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000561314202 327385145 /nfs/dbraw/zinc/38/51/45/327385145.db2.gz DIIWWBUTGHTPMT-BZUAXINKSA-N 2 1 266.473 3.521 20 0 CHADMP CCC[C@@H]([NH2+]CCCc1c[nH+]cn1C)C1CCCCC1 ZINC000575326156 327480545 /nfs/dbraw/zinc/48/05/45/327480545.db2.gz BCAPUFAISQPLTP-QGZVFWFLSA-N 2 1 277.456 3.691 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CC[C@@H](C)c1ccccc1 ZINC000194193936 329067170 /nfs/dbraw/zinc/06/71/70/329067170.db2.gz DFHJLCVCISNXLZ-JKSUJKDBSA-N 2 1 285.435 3.611 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000582733336 329132846 /nfs/dbraw/zinc/13/28/46/329132846.db2.gz ATELCNVCJHQEDA-INIZCTEOSA-N 2 1 287.407 3.563 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000582733336 329132847 /nfs/dbraw/zinc/13/28/47/329132847.db2.gz ATELCNVCJHQEDA-INIZCTEOSA-N 2 1 287.407 3.563 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@H](C)c2csc(C)c2)CC1 ZINC000381506886 329158947 /nfs/dbraw/zinc/15/89/47/329158947.db2.gz UDMVSMOWPICUQI-CYBMUJFWSA-N 2 1 266.454 3.582 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1CC1 ZINC000177345688 329186305 /nfs/dbraw/zinc/18/63/05/329186305.db2.gz QASZJJDVFWOXDI-CABCVRRESA-N 2 1 272.436 3.600 20 0 CHADMP C[N@H+](Cc1ccccc1-c1ccccc1)CC1CC[NH2+]CC1 ZINC000178959189 329203227 /nfs/dbraw/zinc/20/32/27/329203227.db2.gz COPNLUGVJMDNTD-UHFFFAOYSA-N 2 1 294.442 3.785 20 0 CHADMP CC[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@@H]1c1ccccc1 ZINC000178976877 329203607 /nfs/dbraw/zinc/20/36/07/329203607.db2.gz TUSUALKRJMMNPO-HKUYNNGSSA-N 2 1 286.463 3.502 20 0 CHADMP Cc1ccc([C@H]2CCCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000178973209 329203613 /nfs/dbraw/zinc/20/36/13/329203613.db2.gz HQZHUWLQHJGFDK-GOSISDBHSA-N 2 1 272.436 3.522 20 0 CHADMP CC(C)[NH+]1CCC([NH2+][C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000180405750 329216173 /nfs/dbraw/zinc/21/61/73/329216173.db2.gz CAFHKNRNOBRURG-INIZCTEOSA-N 2 1 290.451 3.756 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccccc1F ZINC000180442468 329217077 /nfs/dbraw/zinc/21/70/77/329217077.db2.gz BQNISMAIUXENOJ-CXAGYDPISA-N 2 1 289.398 3.708 20 0 CHADMP CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccccc1F ZINC000180442487 329217093 /nfs/dbraw/zinc/21/70/93/329217093.db2.gz BQNISMAIUXENOJ-GUYCJALGSA-N 2 1 289.398 3.708 20 0 CHADMP Cc1ncc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)s1 ZINC000185158380 329266744 /nfs/dbraw/zinc/26/67/44/329266744.db2.gz RFONLWZQQQWZSD-UHFFFAOYSA-N 2 1 295.496 3.586 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1C[C@H]1C ZINC000321750470 329396274 /nfs/dbraw/zinc/39/62/74/329396274.db2.gz ASHZBFRBXWWKQK-AKKLJKOSSA-N 2 1 286.463 3.674 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1C[C@H]1C ZINC000321750470 329396275 /nfs/dbraw/zinc/39/62/75/329396275.db2.gz ASHZBFRBXWWKQK-AKKLJKOSSA-N 2 1 286.463 3.674 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@H](C(C)C)[C@H](C)C1 ZINC000509977347 332887416 /nfs/dbraw/zinc/88/74/16/332887416.db2.gz NHQMGGMYVMCGEI-DJIMGWMZSA-N 2 1 277.456 3.632 20 0 CHADMP CC[NH2+]CCC[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000580431818 330131567 /nfs/dbraw/zinc/13/15/67/330131567.db2.gz JSOYCUOMFLNCNT-SNVBAGLBSA-N 2 1 275.223 3.644 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000379641841 330145994 /nfs/dbraw/zinc/14/59/94/330145994.db2.gz YOXUIRXUKDPVPO-IPELMVKDSA-N 2 1 286.463 3.818 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000379641841 330145996 /nfs/dbraw/zinc/14/59/96/330145996.db2.gz YOXUIRXUKDPVPO-IPELMVKDSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422707373 330151127 /nfs/dbraw/zinc/15/11/27/330151127.db2.gz WMUMEXAZPLCUSI-OWYHZJEWSA-N 2 1 286.463 3.896 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000422749936 330153375 /nfs/dbraw/zinc/15/33/75/330153375.db2.gz BMZMSGCXTBGIQN-WOPDTQHZSA-N 2 1 284.806 3.518 20 0 CHADMP CC1(C)CCC[C@@H]1[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422841536 330157062 /nfs/dbraw/zinc/15/70/62/330157062.db2.gz WINWWXOVOKRJNC-ULQDDVLXSA-N 2 1 272.436 3.648 20 0 CHADMP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1F ZINC000422879615 330159004 /nfs/dbraw/zinc/15/90/04/330159004.db2.gz VRDIFYBRXHLIHO-CKQIIDDLSA-N 2 1 294.389 3.535 20 0 CHADMP C[C@H](C[C@H](C)[NH3+])Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000422916174 330160464 /nfs/dbraw/zinc/16/04/64/330160464.db2.gz COPAZDMQNVBCMT-XHSDSOJGSA-N 2 1 289.467 3.599 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1 ZINC000422986452 330162908 /nfs/dbraw/zinc/16/29/08/330162908.db2.gz GVLNCSFTFZLYJS-ATZDWAIDSA-N 2 1 280.415 3.831 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1 ZINC000422986453 330163035 /nfs/dbraw/zinc/16/30/35/330163035.db2.gz GVLNCSFTFZLYJS-AYOQOUSVSA-N 2 1 280.415 3.831 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[C@@H](C)c2ccccc21)c1c[nH+]ccc1N ZINC000423007692 330165157 /nfs/dbraw/zinc/16/51/57/330165157.db2.gz YIOAIGGJQXJSRJ-VFVRVIDISA-N 2 1 281.403 3.783 20 0 CHADMP CC(C)Oc1ccc2ccccc2c1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000423049284 330167205 /nfs/dbraw/zinc/16/72/05/330167205.db2.gz JUPQPWITNYGPBI-ROUUACIJSA-N 2 1 298.430 3.596 20 0 CHADMP CC(C)[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)Cc1ccccc1 ZINC000423065485 330168349 /nfs/dbraw/zinc/16/83/49/330168349.db2.gz BIZGUCAMPVZIIG-NVXWUHKLSA-N 2 1 297.446 3.660 20 0 CHADMP Cc1cscc1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423090987 330169190 /nfs/dbraw/zinc/16/91/90/330169190.db2.gz WOAHSKBASZIJHI-DLBZAZTESA-N 2 1 286.444 3.639 20 0 CHADMP Cc1cc2cc(C[NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)ccc2[nH]1 ZINC000423101153 330170130 /nfs/dbraw/zinc/17/01/30/330170130.db2.gz CNRPJWGKGQKFQA-PKOBYXMFSA-N 2 1 291.398 3.711 20 0 CHADMP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccc(F)c2ccccc21 ZINC000423130907 330171885 /nfs/dbraw/zinc/17/18/85/330171885.db2.gz SMYRNHHEMHNDJN-VFVRVIDISA-N 2 1 286.394 3.770 20 0 CHADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1csc(Cl)c1 ZINC000423181306 330175501 /nfs/dbraw/zinc/17/55/01/330175501.db2.gz OSZOPYOZNFCKFH-SNVBAGLBSA-N 2 1 272.845 3.714 20 0 CHADMP CCC[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccccc1 ZINC000423180592 330175518 /nfs/dbraw/zinc/17/55/18/330175518.db2.gz BEWBCUKFLVZMCE-IBGZPJMESA-N 2 1 297.446 3.692 20 0 CHADMP [NH3+]CCC[NH2+][C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000423183839 330175827 /nfs/dbraw/zinc/17/58/27/330175827.db2.gz HXWPOEHGDWNUPQ-INIZCTEOSA-N 2 1 292.785 3.507 20 0 CHADMP [NH3+]C1(C[NH2+][C@H](c2cccnc2)C2CCC2)CCCCCC1 ZINC000423198438 330176552 /nfs/dbraw/zinc/17/65/52/330176552.db2.gz FWAZWCLYOLPOPX-KRWDZBQOSA-N 2 1 287.451 3.564 20 0 CHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(-c2ccccc2)o1 ZINC000423209864 330177604 /nfs/dbraw/zinc/17/76/04/330177604.db2.gz FNDSWSSBPWTKEX-YQQAZPJKSA-N 2 1 298.430 3.985 20 0 CHADMP C[NH2+]CCC[NH2+][C@H](C)c1cc2c(ccc3ccccc23)o1 ZINC000423208514 330177641 /nfs/dbraw/zinc/17/76/41/330177641.db2.gz YWGJLXCEVNNWDX-CYBMUJFWSA-N 2 1 282.387 3.846 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000423266115 330183960 /nfs/dbraw/zinc/18/39/60/330183960.db2.gz CUBPPCUFMGOMDP-VXGBXAGGSA-N 2 1 288.357 3.729 20 0 CHADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCSc2ccccc21)C1CCCCC1 ZINC000423272126 330184717 /nfs/dbraw/zinc/18/47/17/330184717.db2.gz YNICFBOZTOTMSR-HZPDHXFCSA-N 2 1 290.476 3.721 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000423272093 330184801 /nfs/dbraw/zinc/18/48/01/330184801.db2.gz YJYOTRJQDJIRHR-CXAGYDPISA-N 2 1 285.435 3.508 20 0 CHADMP [NH3+]C[C@H]([NH2+][C@H]1CCCc2c3ccccc3sc21)C1CC1 ZINC000423276187 330185047 /nfs/dbraw/zinc/18/50/47/330185047.db2.gz MPJOECTZEPLEFE-GJZGRUSLSA-N 2 1 286.444 3.606 20 0 CHADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000423276359 330185157 /nfs/dbraw/zinc/18/51/57/330185157.db2.gz OGVNJICSVPEVRV-QWRGUYRKSA-N 2 1 280.799 3.592 20 0 CHADMP [NH3+]C[C@H]([NH2+][C@H]1CCC[C@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000423281320 330185324 /nfs/dbraw/zinc/18/53/24/330185324.db2.gz UGAIKEJKVSPSMJ-XIRDDKMYSA-N 2 1 292.854 3.693 20 0 CHADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(-c2ccccc2)cc1 ZINC000423282165 330185850 /nfs/dbraw/zinc/18/58/50/330185850.db2.gz CDDKGVKYXRYXLA-CQSZACIVSA-N 2 1 268.404 3.742 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000423289939 330186427 /nfs/dbraw/zinc/18/64/27/330186427.db2.gz YNXXYWNENFVJAF-NSHDSACASA-N 2 1 288.357 3.874 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000423297059 330188624 /nfs/dbraw/zinc/18/86/24/330188624.db2.gz IOHBFJZWNZAIFX-JSGCOSHPSA-N 2 1 266.454 3.577 20 0 CHADMP CC(C)[C@@H]([NH2+]CC1([NH3+])CCC1)c1cc2ccccc2o1 ZINC000423326990 330190695 /nfs/dbraw/zinc/19/06/95/330190695.db2.gz MQLUCQIGOGCWLK-MRXNPFEDSA-N 2 1 272.392 3.601 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)c2ccsc2S1 ZINC000423327605 330190947 /nfs/dbraw/zinc/19/09/47/330190947.db2.gz LMAYPACHTWKKIW-CORIIIEPSA-N 2 1 296.505 3.653 20 0 CHADMP CC(C)[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(F)ccc1F ZINC000423329186 330191209 /nfs/dbraw/zinc/19/12/09/330191209.db2.gz FCUUMNIYCBBYNY-DLBZAZTESA-N 2 1 296.405 3.641 20 0 CHADMP Cc1ccc([C@H]([NH2+]CC[C@H]2CCC[NH2+]2)C2CCCC2)o1 ZINC000423371302 330195394 /nfs/dbraw/zinc/19/53/94/330195394.db2.gz VBECHXIHDTYOOL-NVXWUHKLSA-N 2 1 276.424 3.551 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)CC[NH2+]1 ZINC000423373747 330195539 /nfs/dbraw/zinc/19/55/39/330195539.db2.gz JKYKBXYIPIRWPV-CCKFTAQKSA-N 2 1 298.405 3.645 20 0 CHADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000423410294 330197160 /nfs/dbraw/zinc/19/71/60/330197160.db2.gz ZVBFWNPAXVTISF-MDASCCDHSA-N 2 1 298.405 3.503 20 0 CHADMP CC(C)[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000423378892 330198898 /nfs/dbraw/zinc/19/88/98/330198898.db2.gz WWTXMRCVBYLZOM-TVQRCGJNSA-N 2 1 275.223 3.627 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c2ccccc2)cc1 ZINC000423384543 330199590 /nfs/dbraw/zinc/19/95/90/330199590.db2.gz QCLFBFXBESEAIJ-PWIZWCRZSA-N 2 1 294.442 3.815 20 0 CHADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccc(F)cc2)s1 ZINC000423449789 330202903 /nfs/dbraw/zinc/20/29/03/330202903.db2.gz SDELTIGUQTVCPK-WOPDTQHZSA-N 2 1 292.423 3.941 20 0 CHADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(-c2ccccc2)s1 ZINC000423456988 330203614 /nfs/dbraw/zinc/20/36/14/330203614.db2.gz FCHYRJGZBTVZBH-OCCSQVGLSA-N 2 1 274.433 3.803 20 0 CHADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(SC(C)C)cc1 ZINC000423465031 330204345 /nfs/dbraw/zinc/20/43/45/330204345.db2.gz MJHYRGOGLFEYLO-TZMCWYRMSA-N 2 1 266.454 3.575 20 0 CHADMP CC[C@H]([NH3+])C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000423471010 330205029 /nfs/dbraw/zinc/20/50/29/330205029.db2.gz PMULTLFKRHVVBG-SMDDNHRTSA-N 2 1 287.234 3.771 20 0 CHADMP Cc1nc([C@@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)cs1 ZINC000423512161 330209285 /nfs/dbraw/zinc/20/92/85/330209285.db2.gz OFLMQZQYKCNDAJ-IUODEOHRSA-N 2 1 289.448 3.582 20 0 CHADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cc(Cl)cc(Cl)c1 ZINC000423520280 330209905 /nfs/dbraw/zinc/20/99/05/330209905.db2.gz FBMCVEFBSSTNER-SNVBAGLBSA-N 2 1 287.234 3.786 20 0 CHADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(-c2ccccc2)o1 ZINC000423530706 330210303 /nfs/dbraw/zinc/21/03/03/330210303.db2.gz RTCGVOGMPQVBQB-AWEZNQCLSA-N 2 1 284.403 3.739 20 0 CHADMP C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccsc1 ZINC000423532831 330210450 /nfs/dbraw/zinc/21/04/50/330210450.db2.gz VYUFTPLRZRYJMB-STHQEUCWSA-N 2 1 290.476 3.552 20 0 CHADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cc2ccccc2o1 ZINC000423534913 330210656 /nfs/dbraw/zinc/21/06/56/330210656.db2.gz WTITUKZCUHJTTR-IUODEOHRSA-N 2 1 272.392 3.601 20 0 CHADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(Cl)cc1 ZINC000423535290 330210726 /nfs/dbraw/zinc/21/07/26/330210726.db2.gz XHEHSINUNKLOIU-IAQYHMDHSA-N 2 1 266.816 3.508 20 0 CHADMP CCC[C@H](C)[C@H](CC)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000536859112 330252510 /nfs/dbraw/zinc/25/25/10/330252510.db2.gz UTUZSIUAURSIAI-FJIDUMEYSA-N 2 1 298.515 3.680 20 0 CHADMP C[NH+]1CCC([NH2+][C@H]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000527631650 330266923 /nfs/dbraw/zinc/26/69/23/330266923.db2.gz MXEVSGGDBCWCBB-MSOLQXFVSA-N 2 1 286.463 3.787 20 0 CHADMP C1=CCC(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000527742704 330279894 /nfs/dbraw/zinc/27/98/94/330279894.db2.gz CXXJSBZIXZGMBD-IBGZPJMESA-N 2 1 296.458 3.739 20 0 CHADMP C1=CCC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000527742704 330279896 /nfs/dbraw/zinc/27/98/96/330279896.db2.gz CXXJSBZIXZGMBD-IBGZPJMESA-N 2 1 296.458 3.739 20 0 CHADMP Cc1cccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C(C)C)c1 ZINC000527810207 330284643 /nfs/dbraw/zinc/28/46/43/330284643.db2.gz OVVYPMPEYRFMJV-GBESFXJTSA-N 2 1 286.463 3.909 20 0 CHADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1cc(C)ccc1C ZINC000527845915 330287806 /nfs/dbraw/zinc/28/78/06/330287806.db2.gz KGVMBNNKIJWCRT-SFHVURJKSA-N 2 1 274.452 3.828 20 0 CHADMP Cc1cccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C(C)C)c1 ZINC000527848671 330288086 /nfs/dbraw/zinc/28/80/86/330288086.db2.gz SBNGTDUTKZINTF-LJQANCHMSA-N 2 1 286.463 3.909 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)[C@@H]1CC12CC2 ZINC000527849977 330288202 /nfs/dbraw/zinc/28/82/02/330288202.db2.gz NDCUBZGYNVOBSG-YJBOKZPZSA-N 2 1 286.463 3.805 20 0 CHADMP CC(C)[C@H](C[NH2+]C1CC(c2ccccc2)C1)[NH+]1CCCC1 ZINC000036840564 330291970 /nfs/dbraw/zinc/29/19/70/330291970.db2.gz DSCMULOFFIYQMG-ACBHZAAOSA-N 2 1 286.463 3.643 20 0 CHADMP CC[C@@H](C)c1ccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000527892322 330292376 /nfs/dbraw/zinc/29/23/76/330292376.db2.gz NXQIBEOXUMLIPN-HUUCEWRRSA-N 2 1 285.435 3.827 20 0 CHADMP CCCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000044533358 330329848 /nfs/dbraw/zinc/32/98/48/330329848.db2.gz JYGMHWGMKIIRMJ-FUHWJXTLSA-N 2 1 274.452 3.849 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC000044535483 330329940 /nfs/dbraw/zinc/32/99/40/330329940.db2.gz NGYREZLSRVQVGD-IPJUCJBFSA-N 2 1 286.463 3.644 20 0 CHADMP C1CC([C@@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C2CCCCC2)C1 ZINC000424273272 330333247 /nfs/dbraw/zinc/33/32/47/330333247.db2.gz WGACJLHUNYJCMQ-FHWLQOOXSA-N 2 1 290.495 3.952 20 0 CHADMP CC[C@H](C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424383693 330349569 /nfs/dbraw/zinc/34/95/69/330349569.db2.gz UIQVAHOJIMOOHM-IAGOWNOFSA-N 2 1 286.463 3.644 20 0 CHADMP C[C@@H](CC[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424387123 330349617 /nfs/dbraw/zinc/34/96/17/330349617.db2.gz YFGHIUQVOZRQBL-DLBZAZTESA-N 2 1 286.463 3.644 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H](C)C1CCCCC1 ZINC000119685106 330378759 /nfs/dbraw/zinc/37/87/59/330378759.db2.gz RPNCOGOGUZFEAB-CABCVRRESA-N 2 1 278.484 3.808 20 0 CHADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000089428398 330385043 /nfs/dbraw/zinc/38/50/43/330385043.db2.gz ZPWJQYGGVLXCBC-KURKYZTESA-N 2 1 286.463 3.657 20 0 CHADMP Cc1ccccc1[C@@H]1C[C@@H](C)[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000089428398 330385044 /nfs/dbraw/zinc/38/50/44/330385044.db2.gz ZPWJQYGGVLXCBC-KURKYZTESA-N 2 1 286.463 3.657 20 0 CHADMP Cc1ccccc1[C@@H]1C[C@@H](C)[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000089428398 330385045 /nfs/dbraw/zinc/38/50/45/330385045.db2.gz ZPWJQYGGVLXCBC-KURKYZTESA-N 2 1 286.463 3.657 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2C=CCCC2)cc1 ZINC000090393041 330392291 /nfs/dbraw/zinc/39/22/91/330392291.db2.gz UWLFQCGTNSJYKB-RHSMWYFYSA-N 2 1 281.403 3.940 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)C(C)(C)c1ccccc1 ZINC000537053573 330395199 /nfs/dbraw/zinc/39/51/99/330395199.db2.gz WMJBBVDNFQJZPL-AEFFLSMTSA-N 2 1 288.479 3.817 20 0 CHADMP Cc1c[nH+]ccc1OC1CC[NH+](CCC2CCCC2)CC1 ZINC000429729250 330554006 /nfs/dbraw/zinc/55/40/06/330554006.db2.gz YXEWSNIPSBAQNI-UHFFFAOYSA-N 2 1 288.435 3.814 20 0 CHADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@H]2CCCc3occc32)C1 ZINC000447553439 330869717 /nfs/dbraw/zinc/86/97/17/330869717.db2.gz WNDVNIGJSONBME-INMHGKMJSA-N 2 1 290.451 3.615 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCC12CCCCC2 ZINC000449072459 330897262 /nfs/dbraw/zinc/89/72/62/330897262.db2.gz KKZWFIXVKGBASL-RDJZCZTQSA-N 2 1 289.467 3.920 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000452062168 331052524 /nfs/dbraw/zinc/05/25/24/331052524.db2.gz ROZASGGPHZPRPY-HLLBOEOZSA-N 2 1 277.456 3.776 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cs1 ZINC000453113600 331090330 /nfs/dbraw/zinc/09/03/30/331090330.db2.gz UMMPEFPTURWKJS-HUUCEWRRSA-N 2 1 280.481 3.828 20 0 CHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000453358200 331121987 /nfs/dbraw/zinc/12/19/87/331121987.db2.gz IXXQZWYOHAKMNS-MVJPYGJCSA-N 2 1 298.474 3.533 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000453358200 331121988 /nfs/dbraw/zinc/12/19/88/331121988.db2.gz IXXQZWYOHAKMNS-MVJPYGJCSA-N 2 1 298.474 3.533 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCCC12CCCC2)C1CC1 ZINC000453403304 331129036 /nfs/dbraw/zinc/12/90/36/331129036.db2.gz OEJLNXPKPXYSSF-QGZVFWFLSA-N 2 1 278.484 3.953 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)s1 ZINC000453403289 331129089 /nfs/dbraw/zinc/12/90/89/331129089.db2.gz ODAJJZSGRPNTRJ-CYBMUJFWSA-N 2 1 280.481 3.836 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+]CCCC[N@H+](C)C1CC1)CCC2 ZINC000453409494 331129697 /nfs/dbraw/zinc/12/96/97/331129697.db2.gz UKDDUYRXHNEWIG-LJQANCHMSA-N 2 1 286.463 3.836 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000453413960 331130080 /nfs/dbraw/zinc/13/00/80/331130080.db2.gz WVNNQGOMSDUQFH-STQMWFEESA-N 2 1 292.389 3.572 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@@H]1CCc2ccc(Cl)cc21)C1CC1 ZINC000453415119 331130302 /nfs/dbraw/zinc/13/03/02/331130302.db2.gz XCZPLQCLPAWTHU-QGZVFWFLSA-N 2 1 292.854 3.791 20 0 CHADMP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccs1 ZINC000453420924 331130665 /nfs/dbraw/zinc/13/06/65/331130665.db2.gz ZYBVDPKYDRTCLF-AWEZNQCLSA-N 2 1 266.454 3.663 20 0 CHADMP C[C@H](C[NH2+]CCCC[N@@H+](C)C1CC1)c1cc(F)cc(F)c1 ZINC000453590091 331135274 /nfs/dbraw/zinc/13/52/74/331135274.db2.gz AKIUUCYKVMBULK-CYBMUJFWSA-N 2 1 296.405 3.532 20 0 CHADMP C[C@H](CC[NH2+]CCCC[N@@H+](C)C1CC1)c1ccccc1 ZINC000453595751 331135452 /nfs/dbraw/zinc/13/54/52/331135452.db2.gz KRHGWTCEPLAEDV-MRXNPFEDSA-N 2 1 274.452 3.644 20 0 CHADMP C[N@@H+](CCCC[NH2+]Cc1cc2ccccc2s1)C1CC1 ZINC000453602575 331135846 /nfs/dbraw/zinc/13/58/46/331135846.db2.gz XAJBRXZDHWCJIR-UHFFFAOYSA-N 2 1 288.460 3.865 20 0 CHADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000459352788 331277706 /nfs/dbraw/zinc/27/77/06/331277706.db2.gz VZXIKUFMBLGGRH-ZCNNSNEGSA-N 2 1 298.474 3.740 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000459379405 331278994 /nfs/dbraw/zinc/27/89/94/331278994.db2.gz RQIGXFYJVBSVKQ-QGZVFWFLSA-N 2 1 286.463 3.728 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000459379405 331278995 /nfs/dbraw/zinc/27/89/95/331278995.db2.gz RQIGXFYJVBSVKQ-QGZVFWFLSA-N 2 1 286.463 3.728 20 0 CHADMP CCCC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCC1 ZINC000459550606 331287254 /nfs/dbraw/zinc/28/72/54/331287254.db2.gz KBSDPXXVJNDTAN-KRWDZBQOSA-N 2 1 264.457 3.562 20 0 CHADMP CC1(C)[C@@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000459724457 331295922 /nfs/dbraw/zinc/29/59/22/331295922.db2.gz YSLFIJXYYHYBQG-YRXWBPOGSA-N 2 1 298.474 3.643 20 0 CHADMP C[C@@H]1[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC000459793127 331301275 /nfs/dbraw/zinc/30/12/75/331301275.db2.gz SVGFJPTVOUVWLN-RNIPGJKVSA-N 2 1 286.463 3.500 20 0 CHADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000166088380 331306573 /nfs/dbraw/zinc/30/65/73/331306573.db2.gz GYWXZQZCHBRBHL-QRVBRYPASA-N 2 1 286.463 3.643 20 0 CHADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC12CCCCC2 ZINC000462451665 331322223 /nfs/dbraw/zinc/32/22/23/331322223.db2.gz JYGJGPULROKROD-SJORKVTESA-N 2 1 278.484 3.763 20 0 CHADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC12CCCCC2 ZINC000462451663 331322299 /nfs/dbraw/zinc/32/22/99/331322299.db2.gz JYGJGPULROKROD-IAGOWNOFSA-N 2 1 278.484 3.763 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)CC(C)(C)C1 ZINC000462751637 331327498 /nfs/dbraw/zinc/32/74/98/331327498.db2.gz ZSYGEPICBJHTPG-OAGGEKHMSA-N 2 1 278.484 3.808 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)CC(C)(C)C1 ZINC000462751637 331327499 /nfs/dbraw/zinc/32/74/99/331327499.db2.gz ZSYGEPICBJHTPG-OAGGEKHMSA-N 2 1 278.484 3.808 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC23CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000463240094 331343695 /nfs/dbraw/zinc/34/36/95/331343695.db2.gz IWSHFBQSAOKGOI-BHIYHBOVSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC23CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000463240094 331343696 /nfs/dbraw/zinc/34/36/96/331343696.db2.gz IWSHFBQSAOKGOI-BHIYHBOVSA-N 2 1 298.474 3.962 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCCCC12CCCC2 ZINC000463444236 331347649 /nfs/dbraw/zinc/34/76/49/331347649.db2.gz MEDCLFYVEXVJLX-CVEARBPZSA-N 2 1 264.457 3.563 20 0 CHADMP C[C@H]1C[C@@H](CC[NH2+]C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC000466359505 331393184 /nfs/dbraw/zinc/39/31/84/331393184.db2.gz OQODJKNEYLZAGG-LSDHHAIUSA-N 2 1 266.473 3.523 20 0 CHADMP C[NH+](C)C1(C[NH2+][C@H]2CCC23CCCC3)CCCCC1 ZINC000474069423 331567502 /nfs/dbraw/zinc/56/75/02/331567502.db2.gz XUMNBJCZLRJDQZ-HNNXBMFYSA-N 2 1 264.457 3.563 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000474474021 331588649 /nfs/dbraw/zinc/58/86/49/331588649.db2.gz VLGHTCZGOOGHOC-ZIAGYGMSSA-N 2 1 294.870 3.906 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000510962948 332922219 /nfs/dbraw/zinc/92/22/19/332922219.db2.gz SRCSDDCXMVPURB-OALUTQOASA-N 2 1 297.446 3.898 20 0 CHADMP CCC[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccccn1 ZINC000477914899 331693672 /nfs/dbraw/zinc/69/36/72/331693672.db2.gz JJNIIZRFOJRGNH-INIZCTEOSA-N 2 1 289.467 3.634 20 0 CHADMP CC(C)[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cc(F)ccc1F ZINC000479336836 331725140 /nfs/dbraw/zinc/72/51/40/331725140.db2.gz QFNMYDANNVKNSZ-QGZVFWFLSA-N 2 1 296.405 3.737 20 0 CHADMP C[C@@H](CCc1ccsc1)[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000480678468 331783739 /nfs/dbraw/zinc/78/37/39/331783739.db2.gz TZBDUEHQJADFBG-HOTGVXAUSA-N 2 1 294.508 3.923 20 0 CHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccco1 ZINC000484286346 331895508 /nfs/dbraw/zinc/89/55/08/331895508.db2.gz ACUODKIJCOTUOX-OWCLPIDISA-N 2 1 278.440 3.831 20 0 CHADMP C[C@@H]1C[C@@H]1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000488345885 332001274 /nfs/dbraw/zinc/00/12/74/332001274.db2.gz FLCXXOXLKYTLLD-JFRXWTBNSA-N 2 1 286.463 3.627 20 0 CHADMP C[C@@H]1C[C@@H]1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000488345885 332001275 /nfs/dbraw/zinc/00/12/75/332001275.db2.gz FLCXXOXLKYTLLD-JFRXWTBNSA-N 2 1 286.463 3.627 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000488345885 332001276 /nfs/dbraw/zinc/00/12/76/332001276.db2.gz FLCXXOXLKYTLLD-JFRXWTBNSA-N 2 1 286.463 3.627 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000488345885 332001277 /nfs/dbraw/zinc/00/12/77/332001277.db2.gz FLCXXOXLKYTLLD-JFRXWTBNSA-N 2 1 286.463 3.627 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000488374516 332002560 /nfs/dbraw/zinc/00/25/60/332002560.db2.gz YZFAWFJVHSNYBF-MJGOQNOKSA-N 2 1 286.463 3.787 20 0 CHADMP CC(C)[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)CS1 ZINC000488419649 332006025 /nfs/dbraw/zinc/00/60/25/332006025.db2.gz HGALUJJZROOULT-WBVHZDCISA-N 2 1 298.540 3.761 20 0 CHADMP CC[C@@H]1C[C@H](C)C[NH+]1CCC[N@@H+]1C[C@H](C)C[C@@H]1CC ZINC000489296640 332045926 /nfs/dbraw/zinc/04/59/26/332045926.db2.gz SKGPLVRTXLAOLG-ZYGGUILKSA-N 2 1 266.473 3.617 20 0 CHADMP CC[C@@H]1C[C@H](C)C[N@H+]1CCC[NH+]1C[C@H](C)C[C@@H]1CC ZINC000489296640 332045927 /nfs/dbraw/zinc/04/59/27/332045927.db2.gz SKGPLVRTXLAOLG-ZYGGUILKSA-N 2 1 266.473 3.617 20 0 CHADMP CC[C@@H]1C[C@H](C)C[N@@H+]1CCC[NH+]1C[C@H](C)C[C@@H]1CC ZINC000489296640 332045928 /nfs/dbraw/zinc/04/59/28/332045928.db2.gz SKGPLVRTXLAOLG-ZYGGUILKSA-N 2 1 266.473 3.617 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2cccc(F)c2)C[C@H]1C ZINC000490013113 332076538 /nfs/dbraw/zinc/07/65/38/332076538.db2.gz LPTZFKFIPZBQGS-CRAIPNDOSA-N 2 1 292.442 3.563 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2cccc(F)c2)C[C@H]1C ZINC000490013113 332076539 /nfs/dbraw/zinc/07/65/39/332076539.db2.gz LPTZFKFIPZBQGS-CRAIPNDOSA-N 2 1 292.442 3.563 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2cccc(F)c2)C[C@H]1C ZINC000490013113 332076540 /nfs/dbraw/zinc/07/65/40/332076540.db2.gz LPTZFKFIPZBQGS-CRAIPNDOSA-N 2 1 292.442 3.563 20 0 CHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+]([C@H]3C=CCCC3)C2)CC1 ZINC000172190904 335096903 /nfs/dbraw/zinc/09/69/03/335096903.db2.gz VSALUWKASWTWLR-ROUUACIJSA-N 2 1 276.468 3.539 20 0 CHADMP CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512135353 332954991 /nfs/dbraw/zinc/95/49/91/332954991.db2.gz IREOGEHQAGUDCM-HUUCEWRRSA-N 2 1 295.496 3.509 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172645352 335114543 /nfs/dbraw/zinc/11/45/43/335114543.db2.gz IDKXDNHFSDTOIK-HUUCEWRRSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172645352 335114544 /nfs/dbraw/zinc/11/45/44/335114544.db2.gz IDKXDNHFSDTOIK-HUUCEWRRSA-N 2 1 292.854 3.819 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccccc2Cl)[C@H](C)C1 ZINC000174773361 333007035 /nfs/dbraw/zinc/00/70/35/333007035.db2.gz HJPLCBBLVXQASX-RHSMWYFYSA-N 2 1 294.870 3.545 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccccc2Cl)[C@H](C)C1 ZINC000174773361 333007037 /nfs/dbraw/zinc/00/70/37/333007037.db2.gz HJPLCBBLVXQASX-RHSMWYFYSA-N 2 1 294.870 3.545 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccccc2Cl)[C@H](C)C1 ZINC000174773361 333007038 /nfs/dbraw/zinc/00/70/38/333007038.db2.gz HJPLCBBLVXQASX-RHSMWYFYSA-N 2 1 294.870 3.545 20 0 CHADMP C[C@@H]1C[C@H](CC[NH2+]CC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000513495337 333022628 /nfs/dbraw/zinc/02/26/28/333022628.db2.gz OKIJNFTZTDAXDU-AEFFLSMTSA-N 2 1 288.479 3.923 20 0 CHADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)c1ccccc1 ZINC000513702673 333033741 /nfs/dbraw/zinc/03/37/41/333033741.db2.gz LPOAWJBJJRUBPJ-LULLPPNCSA-N 2 1 286.463 3.643 20 0 CHADMP C[C@H]([NH2+][C@H]1CCC1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309710271 333047551 /nfs/dbraw/zinc/04/75/51/333047551.db2.gz JSMRFEBMYZTONT-JQHSSLGASA-N 2 1 286.463 3.675 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309886829 333050914 /nfs/dbraw/zinc/05/09/14/333050914.db2.gz ZOSLDCWSPVBWHG-AXDKOMKPSA-N 2 1 298.474 3.675 20 0 CHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+]([C@H]4C=CCCC4)C[C@@H]3C2)cc1 ZINC000309974943 333052057 /nfs/dbraw/zinc/05/20/57/333052057.db2.gz QHOAHJGMKNZEQS-UFYCRDLUSA-N 2 1 296.458 3.549 20 0 CHADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+]([C@H]4C=CCCC4)C[C@@H]3C2)cc1 ZINC000309974943 333052059 /nfs/dbraw/zinc/05/20/59/333052059.db2.gz QHOAHJGMKNZEQS-UFYCRDLUSA-N 2 1 296.458 3.549 20 0 CHADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+]([C@H]4C=CCCC4)C[C@@H]3C2)cc1 ZINC000309974943 333052061 /nfs/dbraw/zinc/05/20/61/333052061.db2.gz QHOAHJGMKNZEQS-UFYCRDLUSA-N 2 1 296.458 3.549 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000310019498 333052919 /nfs/dbraw/zinc/05/29/19/333052919.db2.gz QLXWCOULYWROTP-WMZOPIPTSA-N 2 1 286.463 3.677 20 0 CHADMP CC[NH+](CC)CCC[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000513970201 333056613 /nfs/dbraw/zinc/05/66/13/333056613.db2.gz LYSTVMWALFXKOJ-AWEZNQCLSA-N 2 1 266.404 3.550 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000513970201 333056614 /nfs/dbraw/zinc/05/66/14/333056614.db2.gz LYSTVMWALFXKOJ-AWEZNQCLSA-N 2 1 266.404 3.550 20 0 CHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC000514009064 333060055 /nfs/dbraw/zinc/06/00/55/333060055.db2.gz XUTDCOPQMYWRRH-UHFFFAOYSA-N 2 1 280.843 3.645 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC000514009064 333060057 /nfs/dbraw/zinc/06/00/57/333060057.db2.gz XUTDCOPQMYWRRH-UHFFFAOYSA-N 2 1 280.843 3.645 20 0 CHADMP CC(C)C1CCC(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000312238904 333078715 /nfs/dbraw/zinc/07/87/15/333078715.db2.gz GECCWISBYBFFJO-UHFFFAOYSA-N 2 1 278.484 3.665 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(Cl)c1 ZINC000516945888 333087536 /nfs/dbraw/zinc/08/75/36/333087536.db2.gz PKOYVTIZEGZHQO-CYBMUJFWSA-N 2 1 292.854 3.865 20 0 CHADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000516964458 333088397 /nfs/dbraw/zinc/08/83/97/333088397.db2.gz BNTXECDJDMRMEK-AWEZNQCLSA-N 2 1 274.408 3.700 20 0 CHADMP COc1ccsc1[C@@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000186287905 333158101 /nfs/dbraw/zinc/15/81/01/333158101.db2.gz NEECNVVZMHWESD-CYBMUJFWSA-N 2 1 296.480 3.529 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2CCC3(CCCCC3)CC2)CC[N@@H+]1C ZINC000188805824 333174059 /nfs/dbraw/zinc/17/40/59/333174059.db2.gz QZTZDIKXPMRTFX-NVXWUHKLSA-N 2 1 278.484 3.952 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2CCC3(CCCCC3)CC2)CC[N@H+]1C ZINC000188805824 333174061 /nfs/dbraw/zinc/17/40/61/333174061.db2.gz QZTZDIKXPMRTFX-NVXWUHKLSA-N 2 1 278.484 3.952 20 0 CHADMP CCCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000172843957 335123306 /nfs/dbraw/zinc/12/33/06/335123306.db2.gz UMNVSWOVYZLOCA-CRAIPNDOSA-N 2 1 274.452 3.554 20 0 CHADMP CCCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000172843957 335123308 /nfs/dbraw/zinc/12/33/08/335123308.db2.gz UMNVSWOVYZLOCA-CRAIPNDOSA-N 2 1 274.452 3.554 20 0 CHADMP CCCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000172843957 335123309 /nfs/dbraw/zinc/12/33/09/335123309.db2.gz UMNVSWOVYZLOCA-CRAIPNDOSA-N 2 1 274.452 3.554 20 0 CHADMP CCCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000172843957 335123310 /nfs/dbraw/zinc/12/33/10/335123310.db2.gz UMNVSWOVYZLOCA-CRAIPNDOSA-N 2 1 274.452 3.554 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1F ZINC000227542289 333285524 /nfs/dbraw/zinc/28/55/24/333285524.db2.gz SOAJISNWSGOURX-PJSAGSTRSA-N 2 1 284.378 3.930 20 0 CHADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(Cl)c(Cl)c3)C[C@@H]21 ZINC000230045983 333312486 /nfs/dbraw/zinc/31/24/86/333312486.db2.gz WPALSLPEZCWDHO-SLEUVZQESA-N 2 1 299.245 3.553 20 0 CHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(Cl)c(Cl)c3)C[C@@H]21 ZINC000230045983 333312488 /nfs/dbraw/zinc/31/24/88/333312488.db2.gz WPALSLPEZCWDHO-SLEUVZQESA-N 2 1 299.245 3.553 20 0 CHADMP CC(C)C1CC([NH2+]CCC[N@@H+](C)Cc2ccccc2)C1 ZINC000232536800 333338100 /nfs/dbraw/zinc/33/81/00/333338100.db2.gz QZTNYFRITCLZLI-UHFFFAOYSA-N 2 1 274.452 3.533 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+](CCc2ccccc2)CC1 ZINC000303608235 333344521 /nfs/dbraw/zinc/34/45/21/333344521.db2.gz WCLRHUQYPWLTSA-UHFFFAOYSA-N 2 1 288.479 3.673 20 0 CHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC2CCCC2)C1 ZINC000524356423 333360513 /nfs/dbraw/zinc/36/05/13/333360513.db2.gz OBNCLYCAXKJPHS-SJLPKXTDSA-N 2 1 278.484 3.763 20 0 CHADMP CCc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000524758762 333387510 /nfs/dbraw/zinc/38/75/10/333387510.db2.gz VDNGGUAELFMDSG-LJQANCHMSA-N 2 1 286.463 3.557 20 0 CHADMP C[C@@H]([NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1)C1CC(F)(F)C1 ZINC000529530889 333493540 /nfs/dbraw/zinc/49/35/40/333493540.db2.gz JAMZSAHDPIJVMK-NFAWXSAZSA-N 2 1 288.426 3.520 20 0 CHADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cc2ccccc2o1 ZINC000062077148 333541183 /nfs/dbraw/zinc/54/11/83/333541183.db2.gz XJTJXVIIJYCCIE-LSDHHAIUSA-N 2 1 286.419 3.815 20 0 CHADMP C[C@@H](C[NH2+]Cc1cc2ccccc2o1)C[NH+]1CCCCC1 ZINC000037997590 333544081 /nfs/dbraw/zinc/54/40/81/333544081.db2.gz NISMQSBLJOMIBQ-HNNXBMFYSA-N 2 1 286.419 3.644 20 0 CHADMP CC(C)Oc1ccccc1[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000540325343 333725724 /nfs/dbraw/zinc/72/57/24/333725724.db2.gz GIQRJKMTUALLBS-MRXNPFEDSA-N 2 1 290.451 3.610 20 0 CHADMP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(F)c(F)c1 ZINC000546932680 334055996 /nfs/dbraw/zinc/05/59/96/334055996.db2.gz YZLOMSXWKOTMNY-ZDUSSCGKSA-N 2 1 296.405 3.737 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C)c1 ZINC000236667059 334063362 /nfs/dbraw/zinc/06/33/62/334063362.db2.gz FGVGIFQROJMGSJ-MAUKXSAKSA-N 2 1 274.452 3.805 20 0 CHADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccccc3)o2)C1 ZINC000237186737 334083442 /nfs/dbraw/zinc/08/34/42/334083442.db2.gz CCDNVFVOMLNFAD-DLBZAZTESA-N 2 1 298.430 3.909 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CC2CCC(C(C)(C)C)CC2)CC[N@H+]1C ZINC000135691755 334136467 /nfs/dbraw/zinc/13/64/67/334136467.db2.gz ODMGJLZSCRUVOY-RDHHWEPZSA-N 2 1 280.500 3.911 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCC(C)(C)CC1 ZINC000079619865 334158199 /nfs/dbraw/zinc/15/81/99/334158199.db2.gz YTEHEIDRIKSARV-HNNXBMFYSA-N 2 1 266.473 3.809 20 0 CHADMP CC(C)CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)C1CC1 ZINC000549228203 334188233 /nfs/dbraw/zinc/18/82/33/334188233.db2.gz HMCGCEVBCWIFBT-SJLPKXTDSA-N 2 1 280.500 3.911 20 0 CHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2F)C1 ZINC000246964645 334272785 /nfs/dbraw/zinc/27/27/85/334272785.db2.gz JABDJOSNGWZGHA-KGLIPLIRSA-N 2 1 296.405 3.736 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2F)C1 ZINC000246964645 334272786 /nfs/dbraw/zinc/27/27/86/334272786.db2.gz JABDJOSNGWZGHA-KGLIPLIRSA-N 2 1 296.405 3.736 20 0 CHADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)CC[C@@H]1c1ccccc1 ZINC000245688341 334212789 /nfs/dbraw/zinc/21/27/89/334212789.db2.gz PYKGCJGKGOSFAL-QRQLOZEOSA-N 2 1 286.463 3.596 20 0 CHADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)CC[C@@H]1c1ccccc1 ZINC000245688341 334212790 /nfs/dbraw/zinc/21/27/90/334212790.db2.gz PYKGCJGKGOSFAL-QRQLOZEOSA-N 2 1 286.463 3.596 20 0 CHADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)CC[C@@H]1c1ccccc1 ZINC000245688341 334212791 /nfs/dbraw/zinc/21/27/91/334212791.db2.gz PYKGCJGKGOSFAL-QRQLOZEOSA-N 2 1 286.463 3.596 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000550238838 334216947 /nfs/dbraw/zinc/21/69/47/334216947.db2.gz MDBDWXQBTFPPIF-YOEHRIQHSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000550238838 334216950 /nfs/dbraw/zinc/21/69/50/334216950.db2.gz MDBDWXQBTFPPIF-YOEHRIQHSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000550238838 334216951 /nfs/dbraw/zinc/21/69/51/334216951.db2.gz MDBDWXQBTFPPIF-YOEHRIQHSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000550238838 334216952 /nfs/dbraw/zinc/21/69/52/334216952.db2.gz MDBDWXQBTFPPIF-YOEHRIQHSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000550238838 334216953 /nfs/dbraw/zinc/21/69/53/334216953.db2.gz MDBDWXQBTFPPIF-YOEHRIQHSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCCCCC1 ZINC000311439140 334217756 /nfs/dbraw/zinc/21/77/56/334217756.db2.gz FZWOLUNUIKAMPQ-AWEZNQCLSA-N 2 1 264.457 3.562 20 0 CHADMP CCC(CC)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245765366 334218275 /nfs/dbraw/zinc/21/82/75/334218275.db2.gz WGINIQOZOCGMNG-REPLKXPHSA-N 2 1 286.463 3.960 20 0 CHADMP CC(C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550611895 334225270 /nfs/dbraw/zinc/22/52/70/334225270.db2.gz DQRHSCCCVJASRD-QZTJIDSGSA-N 2 1 274.452 3.848 20 0 CHADMP CC(C)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550611895 334225271 /nfs/dbraw/zinc/22/52/71/334225271.db2.gz DQRHSCCCVJASRD-QZTJIDSGSA-N 2 1 274.452 3.848 20 0 CHADMP CC(C)CCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550611897 334225308 /nfs/dbraw/zinc/22/53/08/334225308.db2.gz DQRHSCCCVJASRD-ZWKOTPCHSA-N 2 1 274.452 3.848 20 0 CHADMP CC(C)CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550611897 334225309 /nfs/dbraw/zinc/22/53/09/334225309.db2.gz DQRHSCCCVJASRD-ZWKOTPCHSA-N 2 1 274.452 3.848 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1ccco1 ZINC000246004069 334227399 /nfs/dbraw/zinc/22/73/99/334227399.db2.gz JJJGJBXJKXGPHY-MNZLEMJZSA-N 2 1 298.430 3.526 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccco1 ZINC000246004069 334227401 /nfs/dbraw/zinc/22/74/01/334227401.db2.gz JJJGJBXJKXGPHY-MNZLEMJZSA-N 2 1 298.430 3.526 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccco1 ZINC000246004069 334227403 /nfs/dbraw/zinc/22/74/03/334227403.db2.gz JJJGJBXJKXGPHY-MNZLEMJZSA-N 2 1 298.430 3.526 20 0 CHADMP CSc1cc(C)ccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000247034300 334274406 /nfs/dbraw/zinc/27/44/06/334274406.db2.gz LLDZLMIAFUHIBP-IIAWOOMASA-N 2 1 292.492 3.535 20 0 CHADMP CSc1cc(C)ccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000247034300 334274408 /nfs/dbraw/zinc/27/44/08/334274408.db2.gz LLDZLMIAFUHIBP-IIAWOOMASA-N 2 1 292.492 3.535 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246164095 334237696 /nfs/dbraw/zinc/23/76/96/334237696.db2.gz IDKXDNHFSDTOIK-CABCVRRESA-N 2 1 292.854 3.819 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246164095 334237697 /nfs/dbraw/zinc/23/76/97/334237697.db2.gz IDKXDNHFSDTOIK-CABCVRRESA-N 2 1 292.854 3.819 20 0 CHADMP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551084329 334238057 /nfs/dbraw/zinc/23/80/57/334238057.db2.gz WYFYDWQDNRHSNL-ZJPYXAASSA-N 2 1 272.436 3.600 20 0 CHADMP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551084329 334238058 /nfs/dbraw/zinc/23/80/58/334238058.db2.gz WYFYDWQDNRHSNL-ZJPYXAASSA-N 2 1 272.436 3.600 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(F)cc2)C(C)(C)C)CC[N@@H+]1C ZINC000247065282 334274983 /nfs/dbraw/zinc/27/49/83/334274983.db2.gz PUUMSKAMCQQZLR-KBRIMQKVSA-N 2 1 292.442 3.985 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(F)cc2)C(C)(C)C)CC[N@H+]1C ZINC000247065282 334274984 /nfs/dbraw/zinc/27/49/84/334274984.db2.gz PUUMSKAMCQQZLR-KBRIMQKVSA-N 2 1 292.442 3.985 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CCC(C)(C)C)C1 ZINC000551532669 334252766 /nfs/dbraw/zinc/25/27/66/334252766.db2.gz DFJXPEYYBUANBB-LSDHHAIUSA-N 2 1 254.462 3.523 20 0 CHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2)C1 ZINC000247109906 334275741 /nfs/dbraw/zinc/27/57/41/334275741.db2.gz SZNYMYKVSHYMCD-KGLIPLIRSA-N 2 1 296.405 3.736 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2)C1 ZINC000247109906 334275743 /nfs/dbraw/zinc/27/57/43/334275743.db2.gz SZNYMYKVSHYMCD-KGLIPLIRSA-N 2 1 296.405 3.736 20 0 CHADMP CC(C)C(C[N@@H+](C)C1CC[NH+](C(C)C)CC1)C(C)C ZINC000551560524 334254409 /nfs/dbraw/zinc/25/44/09/334254409.db2.gz RCMPCLLURCPUSH-UHFFFAOYSA-N 2 1 268.489 3.719 20 0 CHADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)ccc1Cl ZINC000552067615 334284989 /nfs/dbraw/zinc/28/49/89/334284989.db2.gz RJACBIZEHHKPET-UAGQMJEPSA-N 2 1 292.854 3.611 20 0 CHADMP C[C@H]1CC[C@@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000552091148 334288237 /nfs/dbraw/zinc/28/82/37/334288237.db2.gz CFVNAMUBMOBDJZ-RXQRSOPUSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247949352 334292120 /nfs/dbraw/zinc/29/21/20/334292120.db2.gz DXAVUFMQUADJBK-KHSSZTOVSA-N 2 1 290.426 3.521 20 0 CHADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247949352 334292121 /nfs/dbraw/zinc/29/21/21/334292121.db2.gz DXAVUFMQUADJBK-KHSSZTOVSA-N 2 1 290.426 3.521 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248157360 334296221 /nfs/dbraw/zinc/29/62/21/334296221.db2.gz RNQSWNDTVRPTIZ-NXHRZFHOSA-N 2 1 290.426 3.693 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248157360 334296222 /nfs/dbraw/zinc/29/62/22/334296222.db2.gz RNQSWNDTVRPTIZ-NXHRZFHOSA-N 2 1 290.426 3.693 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248157360 334296223 /nfs/dbraw/zinc/29/62/23/334296223.db2.gz RNQSWNDTVRPTIZ-NXHRZFHOSA-N 2 1 290.426 3.693 20 0 CHADMP CC(C)[C@@H]1CC[C@H]1[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000552225801 334305587 /nfs/dbraw/zinc/30/55/87/334305587.db2.gz OKSOMHYUEVBNAG-IXDOHACOSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@H](CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000248744287 334315668 /nfs/dbraw/zinc/31/56/68/334315668.db2.gz AQUZMLVODMBMNT-NEWSRXKRSA-N 2 1 286.463 3.596 20 0 CHADMP C[C@H](CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000248744287 334315669 /nfs/dbraw/zinc/31/56/69/334315669.db2.gz AQUZMLVODMBMNT-NEWSRXKRSA-N 2 1 286.463 3.596 20 0 CHADMP C[C@H](CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000248744287 334315670 /nfs/dbraw/zinc/31/56/70/334315670.db2.gz AQUZMLVODMBMNT-NEWSRXKRSA-N 2 1 286.463 3.596 20 0 CHADMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000248898266 334321351 /nfs/dbraw/zinc/32/13/51/334321351.db2.gz NYSMHHPKPHAIDM-JOCBIADPSA-N 2 1 278.484 3.521 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000249090561 334327039 /nfs/dbraw/zinc/32/70/39/334327039.db2.gz KGDILMKGSHBBRQ-XYJFISCASA-N 2 1 274.452 3.533 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](C)c2cccc(Cl)c2)C1 ZINC000249250160 334330378 /nfs/dbraw/zinc/33/03/78/334330378.db2.gz BWZBXTVZQLCQEC-LSDHHAIUSA-N 2 1 294.870 3.765 20 0 CHADMP C(C[NH+]1CCCCC1)C[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000249319608 334331954 /nfs/dbraw/zinc/33/19/54/334331954.db2.gz FYGJSYCMNMOEAN-IAGOWNOFSA-N 2 1 264.457 3.517 20 0 CHADMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000249319608 334331956 /nfs/dbraw/zinc/33/19/56/334331956.db2.gz FYGJSYCMNMOEAN-IAGOWNOFSA-N 2 1 264.457 3.517 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](Cc2ccccc2)C(C)C)C1 ZINC000249773832 334340280 /nfs/dbraw/zinc/34/02/80/334340280.db2.gz BZEVSBDEVZHCQV-RBUKOAKNSA-N 2 1 288.479 3.575 20 0 CHADMP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000250529076 334345695 /nfs/dbraw/zinc/34/56/95/334345695.db2.gz SWPJMDRTXBSCHN-QGTPRVQTSA-N 2 1 272.436 3.526 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2ccc(Cl)cc2)[C@H](C)C1 ZINC000089541430 334346368 /nfs/dbraw/zinc/34/63/68/334346368.db2.gz ANKQHPLKUHSXKB-RHSMWYFYSA-N 2 1 294.870 3.593 20 0 CHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCc2occc21 ZINC000251221702 334358258 /nfs/dbraw/zinc/35/82/58/334358258.db2.gz OKBFNAWTCBHTCJ-YCPHGPKFSA-N 2 1 276.424 3.557 20 0 CHADMP CC(C)C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000251383845 334360521 /nfs/dbraw/zinc/36/05/21/334360521.db2.gz IEDOGMLVVNUSIJ-FHWLQOOXSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@@H]1CC[C@H](N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000251826574 334370448 /nfs/dbraw/zinc/37/04/48/334370448.db2.gz NDIYUFCWIJPDOG-FCLVOEFKSA-N 2 1 284.447 3.841 20 0 CHADMP C[C@@H]1CC[C@H](N[C@H]2CC[N@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000251826574 334370450 /nfs/dbraw/zinc/37/04/50/334370450.db2.gz NDIYUFCWIJPDOG-FCLVOEFKSA-N 2 1 284.447 3.841 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000251826574 334370452 /nfs/dbraw/zinc/37/04/52/334370452.db2.gz NDIYUFCWIJPDOG-FCLVOEFKSA-N 2 1 284.447 3.841 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000251826574 334370454 /nfs/dbraw/zinc/37/04/54/334370454.db2.gz NDIYUFCWIJPDOG-FCLVOEFKSA-N 2 1 284.447 3.841 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000252711955 334386090 /nfs/dbraw/zinc/38/60/90/334386090.db2.gz LAMSXIJRCYUMQY-KSSFIOAISA-N 2 1 290.426 3.667 20 0 CHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCC[C@H]2F)CC1 ZINC000556259839 334504666 /nfs/dbraw/zinc/50/46/66/334504666.db2.gz IYSZEZXZYGBLJS-SIXLDLHFSA-N 2 1 282.447 3.510 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1)c1c[nH+]ccc1N ZINC000565357366 334555223 /nfs/dbraw/zinc/55/52/23/334555223.db2.gz JJFRWWXVTVISCW-NOLJZWGESA-N 2 1 299.393 3.620 20 0 CHADMP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000566729359 334662015 /nfs/dbraw/zinc/66/20/15/334662015.db2.gz JFEQGEXBOAFDAT-QLFBSQMISA-N 2 1 265.445 3.632 20 0 CHADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1cccc(Cl)c1 ZINC000266875352 334693718 /nfs/dbraw/zinc/69/37/18/334693718.db2.gz OAQNFBPIBNKHHB-HNNXBMFYSA-N 2 1 277.799 3.586 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000165632575 334900913 /nfs/dbraw/zinc/90/09/13/334900913.db2.gz BGECIDLXRMMERZ-GJZGRUSLSA-N 2 1 277.456 3.776 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCc2ccc(C)cc21 ZINC000166694999 334915894 /nfs/dbraw/zinc/91/58/94/334915894.db2.gz PFGPQEPABNRFBL-LJQANCHMSA-N 2 1 297.446 3.947 20 0 CHADMP CCC1([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000576636085 335228684 /nfs/dbraw/zinc/22/86/84/335228684.db2.gz OIMPGEJUXDBMNE-QGZVFWFLSA-N 2 1 284.447 3.716 20 0 CHADMP CCC1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000576636085 335228686 /nfs/dbraw/zinc/22/86/86/335228686.db2.gz OIMPGEJUXDBMNE-QGZVFWFLSA-N 2 1 284.447 3.716 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000576866436 335257567 /nfs/dbraw/zinc/25/75/67/335257567.db2.gz ATVUHMPPBDBBJW-MXWWQKGMSA-N 2 1 292.442 3.782 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000576866436 335257569 /nfs/dbraw/zinc/25/75/69/335257569.db2.gz ATVUHMPPBDBBJW-MXWWQKGMSA-N 2 1 292.442 3.782 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CCC1CCCCCC1 ZINC000577146997 335308710 /nfs/dbraw/zinc/30/87/10/335308710.db2.gz WDUSSAPQSTYYJS-WBVHZDCISA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CCC1CCCCCC1 ZINC000577146997 335308712 /nfs/dbraw/zinc/30/87/12/335308712.db2.gz WDUSSAPQSTYYJS-WBVHZDCISA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CCC1CCCCCC1 ZINC000577146997 335308714 /nfs/dbraw/zinc/30/87/14/335308714.db2.gz WDUSSAPQSTYYJS-WBVHZDCISA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CCC1CCCCCC1 ZINC000577146997 335308715 /nfs/dbraw/zinc/30/87/15/335308715.db2.gz WDUSSAPQSTYYJS-WBVHZDCISA-N 2 1 266.473 3.619 20 0 CHADMP F[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000577177052 335316488 /nfs/dbraw/zinc/31/64/88/335316488.db2.gz AKQQXVOZRZOPMA-WMZOPIPTSA-N 2 1 290.426 3.521 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCc2ccc(C)cc21 ZINC000178957530 335465502 /nfs/dbraw/zinc/46/55/02/335465502.db2.gz AUTKJVPAEHYMJQ-HNAYVOBHSA-N 2 1 297.446 3.803 20 0 CHADMP C[N@H+]1CCC[C@@H](CNC(c2ccccc2)c2ccccc2)C1 ZINC000194990607 336042054 /nfs/dbraw/zinc/04/20/54/336042054.db2.gz CSPPTMQURXZOGT-KRWDZBQOSA-N 2 1 294.442 3.707 20 0 CHADMP C[N@@H+]1CCC[C@@H](C[NH2+]C(c2ccccc2)c2ccccc2)C1 ZINC000194990607 336042055 /nfs/dbraw/zinc/04/20/55/336042055.db2.gz CSPPTMQURXZOGT-KRWDZBQOSA-N 2 1 294.442 3.707 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@H](CC)c2ccsc2)CC1 ZINC000382082526 336081529 /nfs/dbraw/zinc/08/15/29/336081529.db2.gz FPKNPZNQJCMLAZ-OAHLLOKOSA-N 2 1 266.454 3.663 20 0 CHADMP Cc1cc(C)c([C@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C)c1 ZINC000386408948 336172609 /nfs/dbraw/zinc/17/26/09/336172609.db2.gz XKOKHLFNYUSNBD-OKZBNKHCSA-N 2 1 286.463 3.604 20 0 CHADMP CCC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccsc1 ZINC000276877485 521157286 /nfs/dbraw/zinc/15/72/86/521157286.db2.gz FTBNCOLCQHWGJU-HNNXBMFYSA-N 2 1 277.437 3.774 20 0 CHADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cc3ccccc3o2)CC1 ZINC000020189350 519672859 /nfs/dbraw/zinc/67/28/59/519672859.db2.gz YTORANFJIBOPPG-CQSZACIVSA-N 2 1 286.419 3.956 20 0 CHADMP CC(C)Oc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000130111065 519783699 /nfs/dbraw/zinc/78/36/99/519783699.db2.gz KNMSIVAUNCBAMG-HLLBOEOZSA-N 2 1 290.451 3.607 20 0 CHADMP CC(C)Oc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000130111065 519783700 /nfs/dbraw/zinc/78/37/00/519783700.db2.gz KNMSIVAUNCBAMG-HLLBOEOZSA-N 2 1 290.451 3.607 20 0 CHADMP CC(C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000126798210 519813078 /nfs/dbraw/zinc/81/30/78/519813078.db2.gz NRPVQBCXJSLQPC-GJZGRUSLSA-N 2 1 280.481 3.594 20 0 CHADMP CC(C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000126798210 519813079 /nfs/dbraw/zinc/81/30/79/519813079.db2.gz NRPVQBCXJSLQPC-GJZGRUSLSA-N 2 1 280.481 3.594 20 0 CHADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccsc2)CC1 ZINC000050343284 520577586 /nfs/dbraw/zinc/57/75/86/520577586.db2.gz IUVQFSZLNSBSDU-CYBMUJFWSA-N 2 1 266.454 3.663 20 0 CHADMP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000037062479 521153496 /nfs/dbraw/zinc/15/34/96/521153496.db2.gz LXDGQVIVYCZIGQ-FBVQUNGASA-N 2 1 272.436 3.743 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2ccc3ccccc3c2)C1 ZINC000040592687 522084808 /nfs/dbraw/zinc/08/48/08/522084808.db2.gz HUMWSHVFQIWHNJ-JKSUJKDBSA-N 2 1 282.431 3.832 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)c2ccc(C(C)C)cc2)C1 ZINC000040592330 522084989 /nfs/dbraw/zinc/08/49/89/522084989.db2.gz PEUNAVKHVPHPBT-HZPDHXFCSA-N 2 1 274.452 3.802 20 0 CHADMP CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1cccc(F)c1 ZINC000187957859 522623020 /nfs/dbraw/zinc/62/30/20/522623020.db2.gz BGZUZCVIXRNBCZ-GUYCJALGSA-N 2 1 289.398 3.708 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1ccc(F)cc1)CC1CC1 ZINC000340375422 523820118 /nfs/dbraw/zinc/82/01/18/523820118.db2.gz XMUJCAGBVKYHGT-GOSISDBHSA-N 2 1 290.426 3.522 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000340375422 523820124 /nfs/dbraw/zinc/82/01/24/523820124.db2.gz XMUJCAGBVKYHGT-GOSISDBHSA-N 2 1 290.426 3.522 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000340375422 523820130 /nfs/dbraw/zinc/82/01/30/523820130.db2.gz XMUJCAGBVKYHGT-GOSISDBHSA-N 2 1 290.426 3.522 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+](Cc1ccc(F)cc1)CC1CC1 ZINC000340375423 523847768 /nfs/dbraw/zinc/84/77/68/523847768.db2.gz XMUJCAGBVKYHGT-SFHVURJKSA-N 2 1 290.426 3.522 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000340375423 523847774 /nfs/dbraw/zinc/84/77/74/523847774.db2.gz XMUJCAGBVKYHGT-SFHVURJKSA-N 2 1 290.426 3.522 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000340375423 523847777 /nfs/dbraw/zinc/84/77/77/523847777.db2.gz XMUJCAGBVKYHGT-SFHVURJKSA-N 2 1 290.426 3.522 20 0 CHADMP COc1cccc([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000037786209 524151538 /nfs/dbraw/zinc/15/15/38/524151538.db2.gz ICEAVEWNVWCMGY-AWEZNQCLSA-N 2 1 290.451 3.609 20 0 CHADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000049553503 524477214 /nfs/dbraw/zinc/47/72/14/524477214.db2.gz UVHBSVKCMPOLAH-QWRGUYRKSA-N 2 1 289.250 3.984 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2CC(c3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC000157757959 524805781 /nfs/dbraw/zinc/80/57/81/524805781.db2.gz JCVPKKCBBHZRMY-OKKATSDQSA-N 2 1 292.854 3.658 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2CC(c3cccc(Cl)c3)C2)CC[N@H+]1C ZINC000157757959 524805790 /nfs/dbraw/zinc/80/57/90/524805790.db2.gz JCVPKKCBBHZRMY-OKKATSDQSA-N 2 1 292.854 3.658 20 0 CHADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000279064320 524965137 /nfs/dbraw/zinc/96/51/37/524965137.db2.gz ZJNXTKKNDDUXNJ-VYDXJSESSA-N 2 1 295.430 3.592 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)c(Cl)c1 ZINC000037648957 525415975 /nfs/dbraw/zinc/41/59/75/525415975.db2.gz SMASBJYSNAIHSV-NWDGAFQWSA-N 2 1 296.817 3.614 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)CC[N@@H+]1C ZINC000275418917 525444735 /nfs/dbraw/zinc/44/47/35/525444735.db2.gz BUNUEIVYMMTDJA-MOIQIXESSA-N 2 1 290.426 3.534 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)CC[N@H+]1C ZINC000275418917 525444744 /nfs/dbraw/zinc/44/47/44/525444744.db2.gz BUNUEIVYMMTDJA-MOIQIXESSA-N 2 1 290.426 3.534 20 0 CHADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cc2ccccc2s1 ZINC000276683400 525468214 /nfs/dbraw/zinc/46/82/14/525468214.db2.gz QWQIVNMFBGDERY-GFCCVEGCSA-N 2 1 285.416 3.528 20 0 CHADMP COc1ccc2cc([C@H](C)[NH2+]C3CC[NH+](C)CC3)ccc2c1 ZINC000119711044 525640594 /nfs/dbraw/zinc/64/05/94/525640594.db2.gz XADGKONUAJMGKG-AWEZNQCLSA-N 2 1 298.430 3.593 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)c(Cl)c1 ZINC000130195997 525683550 /nfs/dbraw/zinc/68/35/50/525683550.db2.gz JBDVGDYIFOLZSY-KWCYVHTRSA-N 2 1 296.817 3.757 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1C ZINC000037140892 525721918 /nfs/dbraw/zinc/72/19/18/525721918.db2.gz RKMRMHQGCMZQKQ-OAHLLOKOSA-N 2 1 272.436 3.581 20 0 CHADMP CSc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000036994383 526058262 /nfs/dbraw/zinc/05/82/62/526058262.db2.gz UBJRETPBQGWAQV-OHRKKDJYSA-N 2 1 290.476 3.684 20 0 CHADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+][C@H]1CCCCc3ccccc31)C2 ZINC000275548555 526537237 /nfs/dbraw/zinc/53/72/37/526537237.db2.gz NEGQLCOQNYUVQR-YJBOKZPZSA-N 2 1 295.430 3.503 20 0 CHADMP CC(C)(C)OCCCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000354890197 526549501 /nfs/dbraw/zinc/54/95/01/526549501.db2.gz KETJUXAZEVOXDM-QGZVFWFLSA-N 2 1 296.499 3.532 20 0 CHADMP c1[nH+]c(C2CC[NH+](Cc3ccccc3)CC2)n2c1CCCC2 ZINC000278765764 526595199 /nfs/dbraw/zinc/59/51/99/526595199.db2.gz BXWIXETVLVKFAX-UHFFFAOYSA-N 2 1 295.430 3.599 20 0 CHADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCSc3ccccc32)c2ccccc21 ZINC000157367521 527377810 /nfs/dbraw/zinc/37/78/10/527377810.db2.gz DQJJRZDIGCMGDY-ZACQAIPSSA-N 2 1 296.439 3.958 20 0 CHADMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2ccsc2)CC1 ZINC000275011837 527408540 /nfs/dbraw/zinc/40/85/40/527408540.db2.gz QHUTXXFFQWHJLK-UHFFFAOYSA-N 2 1 289.448 3.523 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3ccccc3n2)C[C@H]1C ZINC000353749441 527834347 /nfs/dbraw/zinc/83/43/47/527834347.db2.gz KYYQWUJWBFSMNV-QAPCUYQASA-N 2 1 297.446 3.539 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3ccccc3n2)C[C@H]1C ZINC000353749441 527834353 /nfs/dbraw/zinc/83/43/53/527834353.db2.gz KYYQWUJWBFSMNV-QAPCUYQASA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3ccccc3n2)C[C@H]1C ZINC000353749441 527834357 /nfs/dbraw/zinc/83/43/57/527834357.db2.gz KYYQWUJWBFSMNV-QAPCUYQASA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3ccccc3n2)C[C@H]1C ZINC000353749441 527834361 /nfs/dbraw/zinc/83/43/61/527834361.db2.gz KYYQWUJWBFSMNV-QAPCUYQASA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CCC(Nc2cc[nH+]c3ccc(Cl)cc23)CC1 ZINC000114708626 528988858 /nfs/dbraw/zinc/98/88/58/528988858.db2.gz ILDKOESQQZPFIV-UHFFFAOYSA-N 2 1 289.810 3.784 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000417909174 529014857 /nfs/dbraw/zinc/01/48/57/529014857.db2.gz IBIXIGBDIHYSNH-WDSOQIARSA-N 2 1 286.463 3.500 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192931110 529241968 /nfs/dbraw/zinc/24/19/68/529241968.db2.gz KGDILMKGSHBBRQ-BQFCYCMXSA-N 2 1 274.452 3.533 20 0 CHADMP Clc1ccc2c(c1)CC[C@@H]2N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000222023730 1125472395 /nfs/dbraw/zinc/47/23/95/1125472395.db2.gz DVASDGPRIGEZMZ-ULQDDVLXSA-N 2 1 290.838 3.544 20 0 CHADMP Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000222023730 1125472401 /nfs/dbraw/zinc/47/24/01/1125472401.db2.gz DVASDGPRIGEZMZ-ULQDDVLXSA-N 2 1 290.838 3.544 20 0 CHADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(Cl)cc1 ZINC000037886393 1118043344 /nfs/dbraw/zinc/04/33/44/1118043344.db2.gz GDSUVTDTKIWNAL-MRXNPFEDSA-N 2 1 280.843 3.865 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccsc2)CC1 ZINC000134174458 1119481904 /nfs/dbraw/zinc/48/19/04/1119481904.db2.gz JKHZMNKXRCBHST-UHFFFAOYSA-N 2 1 280.481 3.692 20 0 CHADMP CCC(CC)CCC[N@H+](C)CCCc1c[nH+]cn1C ZINC000662040074 1120863633 /nfs/dbraw/zinc/86/36/33/1120863633.db2.gz ZMRCCGXHBNPOFF-UHFFFAOYSA-N 2 1 265.445 3.501 20 0 CHADMP CCC(CC)CCC[N@@H+](C)CCCc1c[nH+]cn1C ZINC000662040074 1120863636 /nfs/dbraw/zinc/86/36/36/1120863636.db2.gz ZMRCCGXHBNPOFF-UHFFFAOYSA-N 2 1 265.445 3.501 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC001182152078 1122114541 /nfs/dbraw/zinc/11/45/41/1122114541.db2.gz IGOVTZVHXBDIOG-DJIMGWMZSA-N 2 1 266.473 3.665 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC001182152078 1122114545 /nfs/dbraw/zinc/11/45/45/1122114545.db2.gz IGOVTZVHXBDIOG-DJIMGWMZSA-N 2 1 266.473 3.665 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)[C@@H](C)C1 ZINC000503014889 1122162374 /nfs/dbraw/zinc/16/23/74/1122162374.db2.gz IFQMAVKRGIRNGF-GOEBONIOSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]CCC(C)(C)C)C1 ZINC000438091628 1122676041 /nfs/dbraw/zinc/67/60/41/1122676041.db2.gz ZYLMQDODSWNUJI-IYBDPMFKSA-N 2 1 268.489 3.770 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C[C@H]2CCCC[C@@H]2C)C1 ZINC001199329545 1123028291 /nfs/dbraw/zinc/02/82/91/1123028291.db2.gz VVCKYQNKHHRVCJ-XWTMOSNGSA-N 2 1 280.500 3.770 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1C[C@H]2CCCN(C)[C@H]2C1 ZINC001201981715 1123160926 /nfs/dbraw/zinc/16/09/26/1123160926.db2.gz QXCSBLZVSZJDJW-KSZLIROESA-N 2 1 278.484 3.785 20 0 CHADMP CC[C@@H]1C[C@@H]([NH2+]Cc2sccc2Cl)C[C@H](CC)[NH2+]1 ZINC001246341696 1131478879 /nfs/dbraw/zinc/47/88/79/1131478879.db2.gz CFCQVBKBKSNWOQ-ZSBIGDGJSA-N 2 1 286.872 3.800 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC001246548788 1131601280 /nfs/dbraw/zinc/60/12/80/1131601280.db2.gz HKAWRWKCDLTJLP-HRCADAONSA-N 2 1 254.462 3.523 20 0 CHADMP CC[C@H](C)C[C@H](CC)[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246614258 1131718417 /nfs/dbraw/zinc/71/84/17/1131718417.db2.gz NMDJOMUSOZZGAC-YESZJQIVSA-N 2 1 266.473 3.809 20 0 CHADMP CCSC[C@H](C)[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001173308606 1132449437 /nfs/dbraw/zinc/44/94/37/1132449437.db2.gz NKNUOUJVACRVAE-HNNXBMFYSA-N 2 1 298.540 3.857 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC001206084055 1133654722 /nfs/dbraw/zinc/65/47/22/1133654722.db2.gz CSZPPTJWZXQTGJ-ZACQAIPSSA-N 2 1 268.489 3.911 20 0 CHADMP CSc1cc(C)ccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000119274183 1125531346 /nfs/dbraw/zinc/53/13/46/1125531346.db2.gz LLDZLMIAFUHIBP-OFQRWUPVSA-N 2 1 292.492 3.535 20 0 CHADMP CSc1cc(C)ccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000119274183 1125531354 /nfs/dbraw/zinc/53/13/54/1125531354.db2.gz LLDZLMIAFUHIBP-OFQRWUPVSA-N 2 1 292.492 3.535 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC000251997748 1125533286 /nfs/dbraw/zinc/53/32/86/1125533286.db2.gz ZSRYVRFTBWIUER-ZHALLVOQSA-N 2 1 288.479 3.923 20 0 CHADMP CC[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245733365 1125592372 /nfs/dbraw/zinc/59/23/72/1125592372.db2.gz QLIBEUKWDJTYOZ-DDBAPUKQSA-N 2 1 272.436 3.570 20 0 CHADMP C[C@H](CC1CC1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245750792 1125593225 /nfs/dbraw/zinc/59/32/25/1125593225.db2.gz UALZSRJMWVHWLN-XLNTUCKNSA-N 2 1 298.474 3.960 20 0 CHADMP CC[NH+](CC)Cc1ccccc1Nc1cc(OC)cc[nH+]1 ZINC001211986875 1125601794 /nfs/dbraw/zinc/60/17/94/1125601794.db2.gz YLKHAMMMCPJGMK-UHFFFAOYSA-N 2 1 285.391 3.676 20 0 CHADMP Cc1ccsc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246432162 1125633003 /nfs/dbraw/zinc/63/30/03/1125633003.db2.gz MZALEWQKAIAOAL-HOCLYGCPSA-N 2 1 290.476 3.505 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H]1CC=CCC1 ZINC000246590609 1125644967 /nfs/dbraw/zinc/64/49/67/1125644967.db2.gz GPUHUZFNIPVCPB-DLBZAZTESA-N 2 1 264.457 3.587 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)C2CCC2)CC[N@@H+]1C ZINC000247048151 1125652966 /nfs/dbraw/zinc/65/29/66/1125652966.db2.gz OPXIDLQONYPDDM-ZTFGCOKTSA-N 2 1 272.436 3.600 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)C2CCC2)CC[N@H+]1C ZINC000247048151 1125652969 /nfs/dbraw/zinc/65/29/69/1125652969.db2.gz OPXIDLQONYPDDM-ZTFGCOKTSA-N 2 1 272.436 3.600 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(SC)c(F)c2)C1 ZINC000247106803 1125654819 /nfs/dbraw/zinc/65/48/19/1125654819.db2.gz QGJOWYCIVHVYIH-OLZOCXBDSA-N 2 1 296.455 3.540 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)sc2C)[C@@H](C)C1 ZINC000247265499 1125655412 /nfs/dbraw/zinc/65/54/12/1125655412.db2.gz VQBFBERTHGVGFJ-LRDDRELGSA-N 2 1 280.481 3.527 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)sc2C)[C@@H](C)C1 ZINC000247265499 1125655415 /nfs/dbraw/zinc/65/54/15/1125655415.db2.gz VQBFBERTHGVGFJ-LRDDRELGSA-N 2 1 280.481 3.527 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)sc2C)[C@@H](C)C1 ZINC000247265499 1125655418 /nfs/dbraw/zinc/65/54/18/1125655418.db2.gz VQBFBERTHGVGFJ-LRDDRELGSA-N 2 1 280.481 3.527 20 0 CHADMP CCSc1cccc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000248723249 1125674732 /nfs/dbraw/zinc/67/47/32/1125674732.db2.gz OUADMEQOEQFVEZ-HOCLYGCPSA-N 2 1 292.492 3.713 20 0 CHADMP CCSc1cccc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000248723249 1125674735 /nfs/dbraw/zinc/67/47/35/1125674735.db2.gz OUADMEQOEQFVEZ-HOCLYGCPSA-N 2 1 292.492 3.713 20 0 CHADMP CCSc1cccc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000248723249 1125674737 /nfs/dbraw/zinc/67/47/37/1125674737.db2.gz OUADMEQOEQFVEZ-HOCLYGCPSA-N 2 1 292.492 3.713 20 0 CHADMP CCSc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000248723249 1125674740 /nfs/dbraw/zinc/67/47/40/1125674740.db2.gz OUADMEQOEQFVEZ-HOCLYGCPSA-N 2 1 292.492 3.713 20 0 CHADMP CCSc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000248723249 1125674742 /nfs/dbraw/zinc/67/47/42/1125674742.db2.gz OUADMEQOEQFVEZ-HOCLYGCPSA-N 2 1 292.492 3.713 20 0 CHADMP CCSc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000248723249 1125674744 /nfs/dbraw/zinc/67/47/44/1125674744.db2.gz OUADMEQOEQFVEZ-HOCLYGCPSA-N 2 1 292.492 3.713 20 0 CHADMP CCSc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000248723249 1125674749 /nfs/dbraw/zinc/67/47/49/1125674749.db2.gz OUADMEQOEQFVEZ-HOCLYGCPSA-N 2 1 292.492 3.713 20 0 CHADMP CC[NH+]1CCC([N@H+](C)Cc2cc(C)cc(SC)c2)CC1 ZINC001238685402 1131231188 /nfs/dbraw/zinc/23/11/88/1131231188.db2.gz MKCRCQWKQVEVAE-UHFFFAOYSA-N 2 1 292.492 3.633 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)Cc2cc(C)cc(SC)c2)CC1 ZINC001238685402 1131231194 /nfs/dbraw/zinc/23/11/94/1131231194.db2.gz MKCRCQWKQVEVAE-UHFFFAOYSA-N 2 1 292.492 3.633 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000091321088 1125749522 /nfs/dbraw/zinc/74/95/22/1125749522.db2.gz UCFPZANOBJVSMQ-RDTXWAMCSA-N 2 1 283.419 3.569 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)s1 ZINC000093563766 1125770162 /nfs/dbraw/zinc/77/01/62/1125770162.db2.gz BUNKOMWHNOHMKI-OAHLLOKOSA-N 2 1 278.465 3.507 20 0 CHADMP CC[N@@H+]1CCC[C@@H](CNc2[nH+]ccc3ccc(C)cc32)C1 ZINC001118579684 1131232758 /nfs/dbraw/zinc/23/27/58/1131232758.db2.gz QDLWFQNELUEVNH-HNNXBMFYSA-N 2 1 283.419 3.687 20 0 CHADMP CC[N@H+]1CCC[C@@H](CNc2[nH+]ccc3ccc(C)cc32)C1 ZINC001118579684 1131232761 /nfs/dbraw/zinc/23/27/61/1131232761.db2.gz QDLWFQNELUEVNH-HNNXBMFYSA-N 2 1 283.419 3.687 20 0 CHADMP C[C@H]([NH2+]CC1CC(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000621738404 1129188773 /nfs/dbraw/zinc/18/87/73/1129188773.db2.gz FVIXSYPALLGFJY-JZRYZNKLSA-N 2 1 286.463 3.533 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](CCc2ccccc2)C(C)C)CC1 ZINC000159311889 1129199356 /nfs/dbraw/zinc/19/93/56/1129199356.db2.gz GXSWZZWXDZKBSR-IBGZPJMESA-N 2 1 288.479 3.718 20 0 CHADMP CC(C)c1ccc(C(C)(C)[NH2+]C[C@@H]([NH3+])CC(F)F)cc1 ZINC000903897400 1130209854 /nfs/dbraw/zinc/20/98/54/1130209854.db2.gz DCARENZTZXZGAR-AWEZNQCLSA-N 2 1 284.394 3.617 20 0 CHADMP CCC1(C)CCC([NH2+]CCCn2cc[nH+]c2C)CC1 ZINC000338015528 1126710719 /nfs/dbraw/zinc/71/07/19/1126710719.db2.gz HSXHZBDVCLZQCM-UHFFFAOYSA-N 2 1 263.429 3.530 20 0 CHADMP C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCn1cc[nH+]c1C ZINC000338141555 1126720868 /nfs/dbraw/zinc/72/08/68/1126720868.db2.gz DUIFIZJWHWODTD-QBFSEMIESA-N 2 1 289.810 3.538 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000482152431 1126742615 /nfs/dbraw/zinc/74/26/15/1126742615.db2.gz XRMZBYGPWFETAF-IAGOWNOFSA-N 2 1 266.473 3.643 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000482152434 1126742987 /nfs/dbraw/zinc/74/29/87/1126742987.db2.gz XRMZBYGPWFETAF-SJORKVTESA-N 2 1 266.473 3.643 20 0 CHADMP CC[C@@H]1C[N@H+]([C@H](C)c2ccc(C(C)C)cc2)CC[C@H]1[NH3+] ZINC000251899226 1126800054 /nfs/dbraw/zinc/80/00/54/1126800054.db2.gz WQNYHCPRIPLOBK-IIDMSEBBSA-N 2 1 274.452 3.930 20 0 CHADMP C[C@H](C[NH2+][C@H](C)c1ccc(Cl)nc1)C[NH+]1CCCCC1 ZINC000179109568 1126822831 /nfs/dbraw/zinc/82/28/31/1126822831.db2.gz ANHUHZQLNPGRAX-ZIAGYGMSSA-N 2 1 295.858 3.508 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000180449271 1126844761 /nfs/dbraw/zinc/84/47/61/1126844761.db2.gz CMVSVWCFCRYEAD-VNCLNFNDSA-N 2 1 297.446 3.672 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252414096 1126853804 /nfs/dbraw/zinc/85/38/04/1126853804.db2.gz GRZZCLVXZYBMMO-UKPHBRMFSA-N 2 1 292.854 3.865 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252414096 1126853807 /nfs/dbraw/zinc/85/38/07/1126853807.db2.gz GRZZCLVXZYBMMO-UKPHBRMFSA-N 2 1 292.854 3.865 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]([NH3+])CC(F)F)c1csc2ccccc21 ZINC000904483680 1126854467 /nfs/dbraw/zinc/85/44/67/1126854467.db2.gz LKJYPBMGVGFSPN-ZJUUUORDSA-N 2 1 284.375 3.534 20 0 CHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000485029997 1126877754 /nfs/dbraw/zinc/87/77/54/1126877754.db2.gz QSVARUNKHINYFO-GJZGRUSLSA-N 2 1 286.419 3.876 20 0 CHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000485029997 1126877758 /nfs/dbraw/zinc/87/77/58/1126877758.db2.gz QSVARUNKHINYFO-GJZGRUSLSA-N 2 1 286.419 3.876 20 0 CHADMP FC(F)c1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252707147 1126900709 /nfs/dbraw/zinc/90/07/09/1126900709.db2.gz WEXHTMTUIAQPSN-HZPDHXFCSA-N 2 1 294.389 3.588 20 0 CHADMP FC(F)c1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252707147 1126900712 /nfs/dbraw/zinc/90/07/12/1126900712.db2.gz WEXHTMTUIAQPSN-HZPDHXFCSA-N 2 1 294.389 3.588 20 0 CHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2csc(Cl)c2)C1 ZINC000191201134 1126949091 /nfs/dbraw/zinc/94/90/91/1126949091.db2.gz JLZJLIOQMWULTP-NWDGAFQWSA-N 2 1 286.872 3.784 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2csc(Cl)c2)C1 ZINC000191201134 1126949095 /nfs/dbraw/zinc/94/90/95/1126949095.db2.gz JLZJLIOQMWULTP-NWDGAFQWSA-N 2 1 286.872 3.784 20 0 CHADMP CCCC[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000906529979 1126956831 /nfs/dbraw/zinc/95/68/31/1126956831.db2.gz UXTOAVJDIBPVOK-UKRRQHHQSA-N 2 1 266.454 3.521 20 0 CHADMP CCCC[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000906529979 1126956833 /nfs/dbraw/zinc/95/68/33/1126956833.db2.gz UXTOAVJDIBPVOK-UKRRQHHQSA-N 2 1 266.454 3.521 20 0 CHADMP CC[N@@H+](Cc1ccc(Cl)cc1)CC1(C)CC[NH2+]CC1 ZINC001235961409 1130819084 /nfs/dbraw/zinc/81/90/84/1130819084.db2.gz DAYGNGPLVRCPQH-UHFFFAOYSA-N 2 1 280.843 3.552 20 0 CHADMP CSc1ccccc1[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000194838627 1126977023 /nfs/dbraw/zinc/97/70/23/1126977023.db2.gz AURZNBDQHRMQSZ-ZDUSSCGKSA-N 2 1 290.476 3.686 20 0 CHADMP CCC[N@@H+](CC[C@H](C)CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236180186 1130880663 /nfs/dbraw/zinc/88/06/63/1130880663.db2.gz CGWSGFDCPYFCAS-HNNXBMFYSA-N 2 1 268.489 3.913 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(C)cc1C ZINC000268776032 1127023496 /nfs/dbraw/zinc/02/34/96/1127023496.db2.gz BEJMHAKKSMLNKZ-OAHLLOKOSA-N 2 1 271.408 3.549 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)s1 ZINC000268772769 1127023547 /nfs/dbraw/zinc/02/35/47/1127023547.db2.gz AAJIMUXFJLBXLF-GFCCVEGCSA-N 2 1 277.437 3.556 20 0 CHADMP CC(C)C[N@@H+](CCc1cccs1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551252 1130973889 /nfs/dbraw/zinc/97/38/89/1130973889.db2.gz PJCSEFUUMRRBJW-SHTZXODSSA-N 2 1 280.481 3.519 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000269943417 1127047890 /nfs/dbraw/zinc/04/78/90/1127047890.db2.gz SJRUFBAGJCXNLV-GOEBONIOSA-N 2 1 287.407 3.648 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000269943417 1127047891 /nfs/dbraw/zinc/04/78/91/1127047891.db2.gz SJRUFBAGJCXNLV-GOEBONIOSA-N 2 1 287.407 3.648 20 0 CHADMP c1ccc([C@@H]2C[C@@H]2C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000668819679 1127054239 /nfs/dbraw/zinc/05/42/39/1127054239.db2.gz PSHPKJLUBUDFAN-SXLOBPIMSA-N 2 1 298.474 3.502 20 0 CHADMP Cc1nccn1CCC[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000270677858 1127060431 /nfs/dbraw/zinc/06/04/31/1127060431.db2.gz UBFZDMRNULPDKX-KRWDZBQOSA-N 2 1 287.382 3.558 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000270677858 1127060434 /nfs/dbraw/zinc/06/04/34/1127060434.db2.gz UBFZDMRNULPDKX-KRWDZBQOSA-N 2 1 287.382 3.558 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000270677858 1127060438 /nfs/dbraw/zinc/06/04/38/1127060438.db2.gz UBFZDMRNULPDKX-KRWDZBQOSA-N 2 1 287.382 3.558 20 0 CHADMP CCC(CC)[N@@H+](CCCSC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782943 1131005636 /nfs/dbraw/zinc/00/56/36/1131005636.db2.gz NFHVTTHOLINFEU-CTYIDZIISA-N 2 1 272.502 3.500 20 0 CHADMP Cc1cc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C2CC2)ccc1F ZINC000271540235 1127090024 /nfs/dbraw/zinc/09/00/24/1127090024.db2.gz QSXOZFJPAXQQGG-QANKJYHBSA-N 2 1 290.426 3.658 20 0 CHADMP Cc1cc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C2CC2)ccc1F ZINC000271540235 1127090027 /nfs/dbraw/zinc/09/00/27/1127090027.db2.gz QSXOZFJPAXQQGG-QANKJYHBSA-N 2 1 290.426 3.658 20 0 CHADMP Cc1cncc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000274338623 1127113162 /nfs/dbraw/zinc/11/31/62/1127113162.db2.gz AHAMCAVECNEIMS-SJORKVTESA-N 2 1 289.467 3.695 20 0 CHADMP c1cn(-c2ccc(C[N@H+]3CC[C@H]3c3ccccc3)cc2)cn1 ZINC000348528741 1127121656 /nfs/dbraw/zinc/12/16/56/1127121656.db2.gz ZYXGPKMPECKDMA-IBGZPJMESA-N 2 1 289.382 3.819 20 0 CHADMP CC(CC[NH+](C)[C@H](C)C1CC1)CC[N@@H+](C)[C@H](C)C1CC1 ZINC000571025127 1127153359 /nfs/dbraw/zinc/15/33/59/1127153359.db2.gz GMVABBVEAQSJJT-HZPDHXFCSA-N 2 1 280.500 3.863 20 0 CHADMP CC[C@@H](C[N@H+](C)CCCn1cc[nH+]c1C)c1ccccc1 ZINC000349418580 1127150031 /nfs/dbraw/zinc/15/00/31/1127150031.db2.gz OGHABGJNJNGKNH-KRWDZBQOSA-N 2 1 285.435 3.707 20 0 CHADMP CC[C@@H](C[N@@H+](C)CCCn1cc[nH+]c1C)c1ccccc1 ZINC000349418580 1127150035 /nfs/dbraw/zinc/15/00/35/1127150035.db2.gz OGHABGJNJNGKNH-KRWDZBQOSA-N 2 1 285.435 3.707 20 0 CHADMP C[N@H+](Cc1cccc(Cl)c1)C1CC[NH+](CC2CC2)CC1 ZINC001168379395 1127162676 /nfs/dbraw/zinc/16/26/76/1127162676.db2.gz JJUZEHMCISWIEO-UHFFFAOYSA-N 2 1 292.854 3.646 20 0 CHADMP C[N@@H+](Cc1cccc(Cl)c1)C1CC[NH+](CC2CC2)CC1 ZINC001168379395 1127162678 /nfs/dbraw/zinc/16/26/78/1127162678.db2.gz JJUZEHMCISWIEO-UHFFFAOYSA-N 2 1 292.854 3.646 20 0 CHADMP CC(C)C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C(C)C ZINC000572489932 1127201618 /nfs/dbraw/zinc/20/16/18/1127201618.db2.gz JUHCEHRWOYNVDA-VQIMIIECSA-N 2 1 292.511 3.863 20 0 CHADMP CC(C)C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C(C)C ZINC000572489932 1127201620 /nfs/dbraw/zinc/20/16/20/1127201620.db2.gz JUHCEHRWOYNVDA-VQIMIIECSA-N 2 1 292.511 3.863 20 0 CHADMP CC(C)C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C(C)C ZINC000572489932 1127201621 /nfs/dbraw/zinc/20/16/21/1127201621.db2.gz JUHCEHRWOYNVDA-VQIMIIECSA-N 2 1 292.511 3.863 20 0 CHADMP C[C@H](F)CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000351872596 1127211622 /nfs/dbraw/zinc/21/16/22/1127211622.db2.gz DWJLZRHWFIQPEO-LZLYRXPVSA-N 2 1 292.442 3.719 20 0 CHADMP C[C@H](F)CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000351872596 1127211624 /nfs/dbraw/zinc/21/16/24/1127211624.db2.gz DWJLZRHWFIQPEO-LZLYRXPVSA-N 2 1 292.442 3.719 20 0 CHADMP C[C@H](F)CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000351872596 1127211628 /nfs/dbraw/zinc/21/16/28/1127211628.db2.gz DWJLZRHWFIQPEO-LZLYRXPVSA-N 2 1 292.442 3.719 20 0 CHADMP C[C@H](F)CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000351872596 1127211630 /nfs/dbraw/zinc/21/16/30/1127211630.db2.gz DWJLZRHWFIQPEO-LZLYRXPVSA-N 2 1 292.442 3.719 20 0 CHADMP C[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000284960718 1127214014 /nfs/dbraw/zinc/21/40/14/1127214014.db2.gz FLOOTOHLQVHKLN-MNNVXMFVSA-N 2 1 286.463 3.818 20 0 CHADMP CC1(C)C[N@@H+](C2CC[NH+](CC3CC3)CC2)Cc2ccccc21 ZINC001168388666 1127216814 /nfs/dbraw/zinc/21/68/14/1127216814.db2.gz FATBCAWANRCQCM-UHFFFAOYSA-N 2 1 298.474 3.654 20 0 CHADMP CC1(C)C[N@H+](C2CC[NH+](CC3CC3)CC2)Cc2ccccc21 ZINC001168388666 1127216815 /nfs/dbraw/zinc/21/68/15/1127216815.db2.gz FATBCAWANRCQCM-UHFFFAOYSA-N 2 1 298.474 3.654 20 0 CHADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc4ccccc43)C2)C1 ZINC000572847100 1127229454 /nfs/dbraw/zinc/22/94/54/1127229454.db2.gz SSBVRQPAWLXXKF-FQEVSTJZSA-N 2 1 294.442 3.758 20 0 CHADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc4ccccc43)C2)C1 ZINC000572847100 1127229456 /nfs/dbraw/zinc/22/94/56/1127229456.db2.gz SSBVRQPAWLXXKF-FQEVSTJZSA-N 2 1 294.442 3.758 20 0 CHADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc4ccccc43)C2)C1 ZINC000572847100 1127229459 /nfs/dbraw/zinc/22/94/59/1127229459.db2.gz SSBVRQPAWLXXKF-FQEVSTJZSA-N 2 1 294.442 3.758 20 0 CHADMP Cc1ccccc1C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000589837055 1127236306 /nfs/dbraw/zinc/23/63/06/1127236306.db2.gz ZEBBKOJKGGZCAS-CALCHBBNSA-N 2 1 288.479 3.843 20 0 CHADMP C[NH+](Cc1ccc(C(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285669185 1127240831 /nfs/dbraw/zinc/24/08/31/1127240831.db2.gz ZPABMDWLAOZWRT-XYPWUTKMSA-N 2 1 294.389 3.681 20 0 CHADMP Cc1ccc(C2=CCN(CC[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000760804939 1127282996 /nfs/dbraw/zinc/28/29/96/1127282996.db2.gz GTDSPGAVZAQQJP-HXUWFJFHSA-N 2 1 298.474 3.959 20 0 CHADMP Cc1ccc(C2=CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000760804939 1127282998 /nfs/dbraw/zinc/28/29/98/1127282998.db2.gz GTDSPGAVZAQQJP-HXUWFJFHSA-N 2 1 298.474 3.959 20 0 CHADMP Cc1ccc(C2=CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000760804939 1127283001 /nfs/dbraw/zinc/28/30/01/1127283001.db2.gz GTDSPGAVZAQQJP-HXUWFJFHSA-N 2 1 298.474 3.959 20 0 CHADMP CC1=C[C@@H](C)C[N@@H+](CCCC[NH+]2CC(C)=C[C@H](C)C2)C1 ZINC000573204943 1127297440 /nfs/dbraw/zinc/29/74/40/1127297440.db2.gz ZKWLCFSVNFJMMA-WOVMCDHWSA-N 2 1 276.468 3.563 20 0 CHADMP CC1=C[C@@H](C)C[NH+](CCCC[N@H+]2CC(C)=C[C@H](C)C2)C1 ZINC000573204943 1127297443 /nfs/dbraw/zinc/29/74/43/1127297443.db2.gz ZKWLCFSVNFJMMA-WOVMCDHWSA-N 2 1 276.468 3.563 20 0 CHADMP CC1=C[C@@H](C)C[NH+](CCCC[N@@H+]2CC(C)=C[C@H](C)C2)C1 ZINC000573204943 1127297444 /nfs/dbraw/zinc/29/74/44/1127297444.db2.gz ZKWLCFSVNFJMMA-WOVMCDHWSA-N 2 1 276.468 3.563 20 0 CHADMP CC(C)CC1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000760923409 1127333449 /nfs/dbraw/zinc/33/34/49/1127333449.db2.gz AJSWTNVMGRZJGR-KRWDZBQOSA-N 2 1 266.473 3.619 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH+]ccc1N(C)C)CCC2 ZINC000288485094 1127342476 /nfs/dbraw/zinc/34/24/76/1127342476.db2.gz QHEBSPQMCAZARJ-SFHVURJKSA-N 2 1 295.430 3.623 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cc2cccc(F)c2o1 ZINC000355757343 1127362154 /nfs/dbraw/zinc/36/21/54/1127362154.db2.gz LQCFCPFSMQSHPS-OCCSQVGLSA-N 2 1 290.382 3.707 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cc2cccc(F)c2o1 ZINC000355757343 1127362158 /nfs/dbraw/zinc/36/21/58/1127362158.db2.gz LQCFCPFSMQSHPS-OCCSQVGLSA-N 2 1 290.382 3.707 20 0 CHADMP C[C@H](CCCC(F)(F)F)[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000480693537 1127379093 /nfs/dbraw/zinc/37/90/93/1127379093.db2.gz CMFXHXBQHMDPLF-KGLIPLIRSA-N 2 1 294.405 3.962 20 0 CHADMP C[C@H](CCc1ccsc1)[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000480678467 1127379188 /nfs/dbraw/zinc/37/91/88/1127379188.db2.gz TZBDUEHQJADFBG-CVEARBPZSA-N 2 1 294.508 3.923 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccccc2SC)C1 ZINC000358061345 1127400344 /nfs/dbraw/zinc/40/03/44/1127400344.db2.gz IAOLFHYGKXFXJV-HNNXBMFYSA-N 2 1 292.492 3.572 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccccc2SC)C1 ZINC000358061345 1127400347 /nfs/dbraw/zinc/40/03/47/1127400347.db2.gz IAOLFHYGKXFXJV-HNNXBMFYSA-N 2 1 292.492 3.572 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](c3ccccc3F)C2)CC[N@@H+]1C ZINC000360920227 1127520351 /nfs/dbraw/zinc/52/03/51/1127520351.db2.gz OUYQOCQKLYLVTE-KLHDSHLOSA-N 2 1 290.426 3.534 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](c3ccccc3F)C2)CC[N@H+]1C ZINC000360920227 1127520353 /nfs/dbraw/zinc/52/03/53/1127520353.db2.gz OUYQOCQKLYLVTE-KLHDSHLOSA-N 2 1 290.426 3.534 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000360932472 1127521532 /nfs/dbraw/zinc/52/15/32/1127521532.db2.gz DHMALYJIPMCYTK-AWEZNQCLSA-N 2 1 297.402 3.905 20 0 CHADMP Cc1nc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cs1 ZINC000361078692 1127536347 /nfs/dbraw/zinc/53/63/47/1127536347.db2.gz ISUATDWPOSJPPX-KGLIPLIRSA-N 2 1 295.496 3.757 20 0 CHADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)C2CC2)c2ccccc21 ZINC000228285033 1127546194 /nfs/dbraw/zinc/54/61/94/1127546194.db2.gz ZXWJXWNFOGBAIK-GUDVDZBRSA-N 2 1 278.399 3.872 20 0 CHADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1CC=CCC1 ZINC001308909682 1127577073 /nfs/dbraw/zinc/57/70/73/1127577073.db2.gz KGRIQSOFSIKGPT-KRWDZBQOSA-N 2 1 278.484 3.643 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCC34CCC4)C2)cc1 ZINC000669699146 1127673163 /nfs/dbraw/zinc/67/31/63/1127673163.db2.gz SQRZGEDOIKBBPX-RTBURBONSA-N 2 1 298.474 3.821 20 0 CHADMP CCC1([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000296672912 1127681109 /nfs/dbraw/zinc/68/11/09/1127681109.db2.gz KUTFKZJUBBWTRP-NVXWUHKLSA-N 2 1 272.436 3.572 20 0 CHADMP CCC1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000296672912 1127681112 /nfs/dbraw/zinc/68/11/12/1127681112.db2.gz KUTFKZJUBBWTRP-NVXWUHKLSA-N 2 1 272.436 3.572 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000603937867 1127683334 /nfs/dbraw/zinc/68/33/34/1127683334.db2.gz SGFQAXSKNIPJIE-INIZCTEOSA-N 2 1 289.467 3.587 20 0 CHADMP C/C(=C\c1ccccc1)C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000669712935 1127702171 /nfs/dbraw/zinc/70/21/71/1127702171.db2.gz ALCXJCYXZBCDPU-BMRADRMJSA-N 2 1 284.447 3.650 20 0 CHADMP Cc1ccc(C)c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000606447874 1127763094 /nfs/dbraw/zinc/76/30/94/1127763094.db2.gz KFNOYLDGLVBBSZ-IBGZPJMESA-N 2 1 286.463 3.754 20 0 CHADMP C[N@@H+]1CCC[C@@H](C[NH2+]CC(C)(C)C)[C@H]1c1cccs1 ZINC000608059388 1127841980 /nfs/dbraw/zinc/84/19/80/1127841980.db2.gz CQAVFAFIQKNVKE-ZFWWWQNUSA-N 2 1 280.481 3.767 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH2+]CC(C)(C)C)[C@H]1c1cccs1 ZINC000608059388 1127841985 /nfs/dbraw/zinc/84/19/85/1127841985.db2.gz CQAVFAFIQKNVKE-ZFWWWQNUSA-N 2 1 280.481 3.767 20 0 CHADMP CCCc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000608065579 1127843083 /nfs/dbraw/zinc/84/30/83/1127843083.db2.gz OEKRFSXHSTZHPD-YQQQUEKLSA-N 2 1 286.463 3.744 20 0 CHADMP CCC(C)(C)CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000608497465 1127870308 /nfs/dbraw/zinc/87/03/08/1127870308.db2.gz DVMFGBNBHCYTAB-INIZCTEOSA-N 2 1 266.473 3.763 20 0 CHADMP CN(C/C=C\c1ccccc1)CC[C@@H]1CCCC[N@H+]1C ZINC000608500873 1127871857 /nfs/dbraw/zinc/87/18/57/1127871857.db2.gz QQGMZKSWCAODJJ-YFWYWMRJSA-N 2 1 272.436 3.506 20 0 CHADMP C[N@@H+](C/C=C\c1ccccc1)CC[C@@H]1CCCC[NH+]1C ZINC000608500873 1127871863 /nfs/dbraw/zinc/87/18/63/1127871863.db2.gz QQGMZKSWCAODJJ-YFWYWMRJSA-N 2 1 272.436 3.506 20 0 CHADMP C[N@H+](C/C=C\c1ccccc1)CC[C@@H]1CCCC[NH+]1C ZINC000608500873 1127871869 /nfs/dbraw/zinc/87/18/69/1127871869.db2.gz QQGMZKSWCAODJJ-YFWYWMRJSA-N 2 1 272.436 3.506 20 0 CHADMP C[NH+](C/C=C\c1ccccc1)CC[C@@H]1CCCC[N@@H+]1C ZINC000608500873 1127871877 /nfs/dbraw/zinc/87/18/77/1127871877.db2.gz QQGMZKSWCAODJJ-YFWYWMRJSA-N 2 1 272.436 3.506 20 0 CHADMP C[NH+](C/C=C\c1ccccc1)CC[C@@H]1CCCC[N@H+]1C ZINC000608500873 1127871880 /nfs/dbraw/zinc/87/18/80/1127871880.db2.gz QQGMZKSWCAODJJ-YFWYWMRJSA-N 2 1 272.436 3.506 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000535291877 1127912141 /nfs/dbraw/zinc/91/21/41/1127912141.db2.gz FYIFMSOZIYCSOL-UKRRQHHQSA-N 2 1 280.843 3.529 20 0 CHADMP C[C@@H](C1CC1)[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000535466797 1127916704 /nfs/dbraw/zinc/91/67/04/1127916704.db2.gz YWDVCHMQDBWFSG-LPHOPBHVSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H](C1CC1)[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000535466797 1127916705 /nfs/dbraw/zinc/91/67/05/1127916705.db2.gz YWDVCHMQDBWFSG-LPHOPBHVSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H](C1CC1)[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000535466797 1127916707 /nfs/dbraw/zinc/91/67/07/1127916707.db2.gz YWDVCHMQDBWFSG-LPHOPBHVSA-N 2 1 286.463 3.771 20 0 CHADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(Cl)c(F)c2)CC1 ZINC000375505624 1127945976 /nfs/dbraw/zinc/94/59/76/1127945976.db2.gz HWBCXYFYBDIPGK-UHFFFAOYSA-N 2 1 296.817 3.539 20 0 CHADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(Cl)c(F)c2)CC1 ZINC000375505624 1127945979 /nfs/dbraw/zinc/94/59/79/1127945979.db2.gz HWBCXYFYBDIPGK-UHFFFAOYSA-N 2 1 296.817 3.539 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(CC)(CC)CC)C1 ZINC000543876514 1127951884 /nfs/dbraw/zinc/95/18/84/1127951884.db2.gz PWACYFXQZHCTMD-MRXNPFEDSA-N 2 1 268.489 3.867 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC(CC)(CC)CC)[C@@H](C)C1 ZINC000540163436 1127966694 /nfs/dbraw/zinc/96/66/94/1127966694.db2.gz LQGBWGJYNPUFAC-GJZGRUSLSA-N 2 1 254.462 3.523 20 0 CHADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000540147243 1127963290 /nfs/dbraw/zinc/96/32/90/1127963290.db2.gz HUZCLOZOELOZCM-BRWVUGGUSA-N 2 1 266.473 3.523 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000540150863 1127964053 /nfs/dbraw/zinc/96/40/53/1127964053.db2.gz HGULGUCAQKFADT-VQIMIIECSA-N 2 1 286.463 3.632 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC000467384980 1127967609 /nfs/dbraw/zinc/96/76/09/1127967609.db2.gz LGIQEHCBGIFSFW-NVXWUHKLSA-N 2 1 278.484 3.809 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC000467384980 1127967612 /nfs/dbraw/zinc/96/76/12/1127967612.db2.gz LGIQEHCBGIFSFW-NVXWUHKLSA-N 2 1 278.484 3.809 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CC1(C)C ZINC000540176281 1127965816 /nfs/dbraw/zinc/96/58/16/1127965816.db2.gz QOVBZVVDOSNHME-NXHRZFHOSA-N 2 1 286.463 3.533 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CC1(C)C ZINC000540176279 1127965921 /nfs/dbraw/zinc/96/59/21/1127965921.db2.gz QOVBZVVDOSNHME-KBAYOESNSA-N 2 1 286.463 3.533 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC(CC)(CC)CC)[C@H](C)C1 ZINC000540163433 1127966339 /nfs/dbraw/zinc/96/63/39/1127966339.db2.gz LQGBWGJYNPUFAC-CABCVRRESA-N 2 1 254.462 3.523 20 0 CHADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(C(C)(C)C)cc1 ZINC000401765199 1127968612 /nfs/dbraw/zinc/96/86/12/1127968612.db2.gz LDPMQTWEOIXWHH-CQSZACIVSA-N 2 1 285.435 3.611 20 0 CHADMP CC[C@@H]1CCC[C@@H](C[N@H+](C)C2CC[NH+](CC)CC2)C1 ZINC000544352363 1127969848 /nfs/dbraw/zinc/96/98/48/1127969848.db2.gz COMDPBFLMLBURM-HZPDHXFCSA-N 2 1 266.473 3.619 20 0 CHADMP CC[C@@H]1CCC[C@@H](C[N@@H+](C)C2CC[NH+](CC)CC2)C1 ZINC000544352363 1127969850 /nfs/dbraw/zinc/96/98/50/1127969850.db2.gz COMDPBFLMLBURM-HZPDHXFCSA-N 2 1 266.473 3.619 20 0 CHADMP CC[N@H+]1CC[C@@H](CN[C@@H](c2ccc(C)o2)C2CCCC2)C1 ZINC000540475301 1127979515 /nfs/dbraw/zinc/97/95/15/1127979515.db2.gz MLAVUTAKUITNTG-MAUKXSAKSA-N 2 1 290.451 3.751 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(C)o2)C2CCCC2)C1 ZINC000540475301 1127979521 /nfs/dbraw/zinc/97/95/21/1127979521.db2.gz MLAVUTAKUITNTG-MAUKXSAKSA-N 2 1 290.451 3.751 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3ccccc3)c2)CC[N@H+]1C ZINC000540606898 1127985915 /nfs/dbraw/zinc/98/59/15/1127985915.db2.gz INVUPOGQARTBOV-JXFKEZNVSA-N 2 1 294.442 3.926 20 0 CHADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000540588690 1127986114 /nfs/dbraw/zinc/98/61/14/1127986114.db2.gz AHZOVVNCHJWMLM-QZTJIDSGSA-N 2 1 272.436 3.602 20 0 CHADMP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000300307808 1127998662 /nfs/dbraw/zinc/99/86/62/1127998662.db2.gz GIGFZQDKVYWJJO-LTIDMASMSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000300307808 1127998665 /nfs/dbraw/zinc/99/86/65/1127998665.db2.gz GIGFZQDKVYWJJO-LTIDMASMSA-N 2 1 266.473 3.664 20 0 CHADMP CCC[C@H](CCc1ccccc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000545191750 1128003531 /nfs/dbraw/zinc/00/35/31/1128003531.db2.gz VBZQYKFGTLOTIQ-LJQANCHMSA-N 2 1 286.463 3.639 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cc2C)C[C@@H]1C ZINC000468390873 1128005619 /nfs/dbraw/zinc/00/56/19/1128005619.db2.gz BUIQXNYWWONKFX-YOEHRIQHSA-N 2 1 294.870 3.953 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2C)C[C@@H]1C ZINC000468390873 1128005623 /nfs/dbraw/zinc/00/56/23/1128005623.db2.gz BUIQXNYWWONKFX-YOEHRIQHSA-N 2 1 294.870 3.953 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2C)C[C@@H]1C ZINC000468390873 1128005627 /nfs/dbraw/zinc/00/56/27/1128005627.db2.gz BUIQXNYWWONKFX-YOEHRIQHSA-N 2 1 294.870 3.953 20 0 CHADMP C[C@@H]1CC[C@H](C)[NH+]1CCCCC[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000466653660 1128010746 /nfs/dbraw/zinc/01/07/46/1128010746.db2.gz CPUOZCBUPPOTAB-WNKDZCFJSA-N 2 1 266.473 3.902 20 0 CHADMP CC1(C)CC[C@H]([NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256908819 1128015042 /nfs/dbraw/zinc/01/50/42/1128015042.db2.gz QPGDFZFBRSSVBH-GJZGRUSLSA-N 2 1 264.457 3.562 20 0 CHADMP CC1(C)CC[C@H]([NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256908819 1128015045 /nfs/dbraw/zinc/01/50/45/1128015045.db2.gz QPGDFZFBRSSVBH-GJZGRUSLSA-N 2 1 264.457 3.562 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)Cc2ccsc2)CC1 ZINC000542150293 1128053839 /nfs/dbraw/zinc/05/38/39/1128053839.db2.gz CJJVIJDJKZFLSA-OAHLLOKOSA-N 2 1 294.508 3.731 20 0 CHADMP CCC1(CC)CCC[N@@H+](CC[C@H]2CCC[NH+]2C)CC1 ZINC000469735975 1128051834 /nfs/dbraw/zinc/05/18/34/1128051834.db2.gz IDFXHSNGYBMBRI-MRXNPFEDSA-N 2 1 266.473 3.763 20 0 CHADMP CCC1(CC)CCC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000469735975 1128051838 /nfs/dbraw/zinc/05/18/38/1128051838.db2.gz IDFXHSNGYBMBRI-MRXNPFEDSA-N 2 1 266.473 3.763 20 0 CHADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccccc2)cc1F ZINC000469870088 1128056571 /nfs/dbraw/zinc/05/65/71/1128056571.db2.gz HVBDZSAAVXEVFH-GJZGRUSLSA-N 2 1 298.405 3.662 20 0 CHADMP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000469873907 1128057026 /nfs/dbraw/zinc/05/70/26/1128057026.db2.gz OJCKOMXSKLRRCO-QXAKKESOSA-N 2 1 286.463 3.644 20 0 CHADMP CC(C)([NH3+])C[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000469874223 1128057242 /nfs/dbraw/zinc/05/72/42/1128057242.db2.gz WMOIMKYTRYTFPY-KRWDZBQOSA-N 2 1 268.404 3.714 20 0 CHADMP CC(C)CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000303209972 1128059923 /nfs/dbraw/zinc/05/99/23/1128059923.db2.gz QYONEGNIWBXOPO-KRWDZBQOSA-N 2 1 266.473 3.621 20 0 CHADMP Cc1ccc([C@@H]2CC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)c(C)c1 ZINC000471019711 1128085737 /nfs/dbraw/zinc/08/57/37/1128085737.db2.gz QPLXAIJCKQFEJJ-MSOLQXFVSA-N 2 1 286.463 3.577 20 0 CHADMP Cc1ccc([C@@H]2CC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)c(C)c1 ZINC000471019711 1128085740 /nfs/dbraw/zinc/08/57/40/1128085740.db2.gz QPLXAIJCKQFEJJ-MSOLQXFVSA-N 2 1 286.463 3.577 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)CCCC2CCCC2)CC1 ZINC000471072023 1128086589 /nfs/dbraw/zinc/08/65/89/1128086589.db2.gz LYEJLLQCLNBXMQ-UHFFFAOYSA-N 2 1 266.473 3.763 20 0 CHADMP CCC[C@@H](CC)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001257258576 1128100716 /nfs/dbraw/zinc/10/07/16/1128100716.db2.gz GFHLIECGUPEPHJ-CVEARBPZSA-N 2 1 296.499 3.577 20 0 CHADMP CC(C)C(C(C)C)[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000924696679 1128110154 /nfs/dbraw/zinc/11/01/54/1128110154.db2.gz PRUCFQQZFHRYGM-HRCADAONSA-N 2 1 266.473 3.520 20 0 CHADMP C[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000252107350 1128116888 /nfs/dbraw/zinc/11/68/88/1128116888.db2.gz HFONGBPUBQPXEW-BFZKSOEOSA-N 2 1 264.457 3.560 20 0 CHADMP C[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000252107350 1128116890 /nfs/dbraw/zinc/11/68/90/1128116890.db2.gz HFONGBPUBQPXEW-BFZKSOEOSA-N 2 1 264.457 3.560 20 0 CHADMP CC1(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC(F)(F)C1 ZINC000925732751 1128138876 /nfs/dbraw/zinc/13/88/76/1128138876.db2.gz CSRXOCRJFYUCNR-HUUCEWRRSA-N 2 1 294.389 3.505 20 0 CHADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@]34C[C@H]3CCCC4)CC[NH2+]2)cc1 ZINC000925800929 1128142633 /nfs/dbraw/zinc/14/26/33/1128142633.db2.gz GWCAMGRYKQLJNT-YRXWBPOGSA-N 2 1 284.447 3.650 20 0 CHADMP CCC[C@@H](C)[N@@H+](C(CC)CC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257313094 1128231328 /nfs/dbraw/zinc/23/13/28/1128231328.db2.gz KMWOWOQIRAMVAO-IIAWOOMASA-N 2 1 254.462 3.936 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931351480 1128357729 /nfs/dbraw/zinc/35/77/29/1128357729.db2.gz OQPDHHAMKHHLOP-INIZCTEOSA-N 2 1 278.415 3.693 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC1(C)C ZINC000397592289 1128368741 /nfs/dbraw/zinc/36/87/41/1128368741.db2.gz KGLFQHLVBGSFED-QAPCUYQASA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H](C[NH2+]CCCC[N@H+]1CCCC[C@H]1C)C(C)(C)C ZINC000670266669 1128377969 /nfs/dbraw/zinc/37/79/69/1128377969.db2.gz QTUXBQIHKUMIPW-JKSUJKDBSA-N 2 1 268.489 3.913 20 0 CHADMP C[C@H](C[NH2+]CCCC[N@H+]1CCCC[C@H]1C)C(C)(C)C ZINC000670266668 1128378562 /nfs/dbraw/zinc/37/85/62/1128378562.db2.gz QTUXBQIHKUMIPW-HZPDHXFCSA-N 2 1 268.489 3.913 20 0 CHADMP CC(C)[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398142808 1128393601 /nfs/dbraw/zinc/39/36/01/1128393601.db2.gz WTDDRBWIQTWICP-ZHALLVOQSA-N 2 1 288.479 3.779 20 0 CHADMP Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1C ZINC000036996276 1128404371 /nfs/dbraw/zinc/40/43/71/1128404371.db2.gz WOYMQABJYPSSRM-QXAKKESOSA-N 2 1 286.463 3.889 20 0 CHADMP Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1C ZINC000036996276 1128404373 /nfs/dbraw/zinc/40/43/73/1128404373.db2.gz WOYMQABJYPSSRM-QXAKKESOSA-N 2 1 286.463 3.889 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)cc1 ZINC000036996584 1128404497 /nfs/dbraw/zinc/40/44/97/1128404497.db2.gz JVDVZEQNDMISBO-VBNZEHGJSA-N 2 1 278.827 3.617 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(Cl)cc1 ZINC000036996584 1128404500 /nfs/dbraw/zinc/40/45/00/1128404500.db2.gz JVDVZEQNDMISBO-VBNZEHGJSA-N 2 1 278.827 3.617 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCC(C(C)(C)C)CC2)C1 ZINC000037643795 1128433857 /nfs/dbraw/zinc/43/38/57/1128433857.db2.gz SFBUNQBTJXLMII-QQFBHYJXSA-N 2 1 266.473 3.523 20 0 CHADMP CCCc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649258 1128435131 /nfs/dbraw/zinc/43/51/31/1128435131.db2.gz LTGCRVDHINGBPX-DOTOQJQBSA-N 2 1 286.463 3.774 20 0 CHADMP C[C@H]1CCC[C@@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)C1 ZINC000037860330 1128436036 /nfs/dbraw/zinc/43/60/36/1128436036.db2.gz XZKNSAMXOHTQLX-JKSUJKDBSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CCCC2)CC[N@H+]1C ZINC000125920848 1128456017 /nfs/dbraw/zinc/45/60/17/1128456017.db2.gz KGLVBMUKJJGZHE-WMZOPIPTSA-N 2 1 286.463 3.571 20 0 CHADMP Cc1cccnc1[C@H](NCC[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC000934290492 1128457093 /nfs/dbraw/zinc/45/70/93/1128457093.db2.gz GFZRZWQIVDWLTP-RDJZCZTQSA-N 2 1 289.467 3.551 20 0 CHADMP Cc1cccnc1[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC000934290492 1128457094 /nfs/dbraw/zinc/45/70/94/1128457094.db2.gz GFZRZWQIVDWLTP-RDJZCZTQSA-N 2 1 289.467 3.551 20 0 CHADMP Cc1cccnc1[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC000934290492 1128457096 /nfs/dbraw/zinc/45/70/96/1128457096.db2.gz GFZRZWQIVDWLTP-RDJZCZTQSA-N 2 1 289.467 3.551 20 0 CHADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000126779448 1128466820 /nfs/dbraw/zinc/46/68/20/1128466820.db2.gz YCXFRKNUXWNZQG-XHSDSOJGSA-N 2 1 294.508 3.984 20 0 CHADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000126779448 1128466822 /nfs/dbraw/zinc/46/68/22/1128466822.db2.gz YCXFRKNUXWNZQG-XHSDSOJGSA-N 2 1 294.508 3.984 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](F)C2)C[C@H]1c1ccccc1 ZINC000564965907 1128517730 /nfs/dbraw/zinc/51/77/30/1128517730.db2.gz MGUAPLJIGHTJJJ-BDXSIMOUSA-N 2 1 290.426 3.692 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](F)C2)C[C@H]1c1ccccc1 ZINC000564965907 1128517734 /nfs/dbraw/zinc/51/77/34/1128517734.db2.gz MGUAPLJIGHTJJJ-BDXSIMOUSA-N 2 1 290.426 3.692 20 0 CHADMP CC(C)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000565391852 1128525065 /nfs/dbraw/zinc/52/50/65/1128525065.db2.gz ZVVBQPVCCXCLAJ-MAUKXSAKSA-N 2 1 274.452 3.582 20 0 CHADMP CC(C)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000565391852 1128525068 /nfs/dbraw/zinc/52/50/68/1128525068.db2.gz ZVVBQPVCCXCLAJ-MAUKXSAKSA-N 2 1 274.452 3.582 20 0 CHADMP CC(C)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000565391852 1128525071 /nfs/dbraw/zinc/52/50/71/1128525071.db2.gz ZVVBQPVCCXCLAJ-MAUKXSAKSA-N 2 1 274.452 3.582 20 0 CHADMP CC(C)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000565391852 1128525073 /nfs/dbraw/zinc/52/50/73/1128525073.db2.gz ZVVBQPVCCXCLAJ-MAUKXSAKSA-N 2 1 274.452 3.582 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000129343319 1128537480 /nfs/dbraw/zinc/53/74/80/1128537480.db2.gz DULUREKXFCZWKT-MRXNPFEDSA-N 2 1 278.484 3.809 20 0 CHADMP CC(C)[NH2+]CCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000566088497 1128538087 /nfs/dbraw/zinc/53/80/87/1128538087.db2.gz VGNXIGMBPJXAMJ-UHFFFAOYSA-N 2 1 282.431 3.754 20 0 CHADMP C[N@H+](CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C1CCCC1 ZINC000069382951 1128538874 /nfs/dbraw/zinc/53/88/74/1128538874.db2.gz FANOSNOPINGPIO-QWHCGFSZSA-N 2 1 292.389 3.572 20 0 CHADMP C[N@@H+](CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C1CCCC1 ZINC000069382951 1128538876 /nfs/dbraw/zinc/53/88/76/1128538876.db2.gz FANOSNOPINGPIO-QWHCGFSZSA-N 2 1 292.389 3.572 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000556076216 1128544727 /nfs/dbraw/zinc/54/47/27/1128544727.db2.gz LIYRRDRCNBCCML-IAGOWNOFSA-N 2 1 278.484 3.809 20 0 CHADMP C[NH+]1CCC2(CCC[N@H+]2CCCC2CCCCC2)CC1 ZINC000566824432 1128552254 /nfs/dbraw/zinc/55/22/54/1128552254.db2.gz XNSOBBMTSGSHCU-UHFFFAOYSA-N 2 1 278.484 3.907 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c2ccsc2S1 ZINC000130163330 1128569718 /nfs/dbraw/zinc/56/97/18/1128569718.db2.gz HPLLKWWWQCKTSF-WCQYABFASA-N 2 1 298.521 3.851 20 0 CHADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc3ccccc3o2)C1 ZINC000567718567 1128570645 /nfs/dbraw/zinc/57/06/45/1128570645.db2.gz GYAXLBMSWDYBOV-GJZGRUSLSA-N 2 1 286.419 3.815 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc3ccccc3o2)C1 ZINC000567718567 1128570648 /nfs/dbraw/zinc/57/06/48/1128570648.db2.gz GYAXLBMSWDYBOV-GJZGRUSLSA-N 2 1 286.419 3.815 20 0 CHADMP Cc1ccc2cc[nH+]c(NC3CC[NH+](CC4CC4)CC3)c2c1 ZINC000567752103 1128571447 /nfs/dbraw/zinc/57/14/47/1128571447.db2.gz YFDKCZFDHXGSFQ-UHFFFAOYSA-N 2 1 295.430 3.830 20 0 CHADMP CC(C)[C@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000567864806 1128572905 /nfs/dbraw/zinc/57/29/05/1128572905.db2.gz RSPUYPZKNOZNOQ-SWDXFRIISA-N 2 1 286.463 3.641 20 0 CHADMP C[C@H]([NH2+][C@H]1CCC(C)(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000568137408 1128579029 /nfs/dbraw/zinc/57/90/29/1128579029.db2.gz AXTWFTLUTGVJQA-XHSDSOJGSA-N 2 1 278.484 3.808 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)c3c2cccc3C)CC1 ZINC000152627232 1128614969 /nfs/dbraw/zinc/61/49/69/1128614969.db2.gz AMGMWHGOZXHJQP-WMLDXEAASA-N 2 1 272.436 3.617 20 0 CHADMP Cc1ccc(CC[C@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C)cc1 ZINC000568685581 1128589817 /nfs/dbraw/zinc/58/98/17/1128589817.db2.gz AFBRYMVWTSJQBC-IRXDYDNUSA-N 2 1 276.468 3.634 20 0 CHADMP Cc1ccc(CC[C@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000568685581 1128589819 /nfs/dbraw/zinc/58/98/19/1128589819.db2.gz AFBRYMVWTSJQBC-IRXDYDNUSA-N 2 1 276.468 3.634 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](C)c3c2cccc3C)CC1 ZINC000152627343 1128615153 /nfs/dbraw/zinc/61/51/53/1128615153.db2.gz AMGMWHGOZXHJQP-YOEHRIQHSA-N 2 1 272.436 3.617 20 0 CHADMP Cc1ccc(C[N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)c(C)c1Cl ZINC001236223070 1128626700 /nfs/dbraw/zinc/62/67/00/1128626700.db2.gz LCKYDKDHZQXUSQ-SHTZXODSSA-N 2 1 280.843 3.659 20 0 CHADMP CC1(C)CC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000570867480 1128634421 /nfs/dbraw/zinc/63/44/21/1128634421.db2.gz KBNLRJNCBXCSKY-LUPIEILUSA-N 2 1 298.474 3.960 20 0 CHADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CCCC2CCCCC2)C1 ZINC000571925493 1128640948 /nfs/dbraw/zinc/64/09/48/1128640948.db2.gz NUTDHVMPOXHWIX-ZWKOTPCHSA-N 2 1 278.484 3.763 20 0 CHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CCCC2CCCCC2)C1 ZINC000571925493 1128640951 /nfs/dbraw/zinc/64/09/51/1128640951.db2.gz NUTDHVMPOXHWIX-ZWKOTPCHSA-N 2 1 278.484 3.763 20 0 CHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CCCC2CCCCC2)C1 ZINC000571925493 1128640954 /nfs/dbraw/zinc/64/09/54/1128640954.db2.gz NUTDHVMPOXHWIX-ZWKOTPCHSA-N 2 1 278.484 3.763 20 0 CHADMP CCC[N@@H+](CC)CCCC1CC[NH+](CCC)CC1 ZINC000499244878 1128666463 /nfs/dbraw/zinc/66/64/63/1128666463.db2.gz SSQWMJASAFYEMU-UHFFFAOYSA-N 2 1 254.462 3.621 20 0 CHADMP C[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000619772714 1128708502 /nfs/dbraw/zinc/70/85/02/1128708502.db2.gz YDJUIWWWRXDGLO-OWCLPIDISA-N 2 1 266.473 3.665 20 0 CHADMP C[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000619772714 1128708503 /nfs/dbraw/zinc/70/85/03/1128708503.db2.gz YDJUIWWWRXDGLO-OWCLPIDISA-N 2 1 266.473 3.665 20 0 CHADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)s1 ZINC000135199170 1128716085 /nfs/dbraw/zinc/71/60/85/1128716085.db2.gz LBKPZSPCSLLRRF-NWANDNLSSA-N 2 1 278.465 3.642 20 0 CHADMP CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000578513864 1128720247 /nfs/dbraw/zinc/72/02/47/1128720247.db2.gz POSDZQTZSVWRDY-CGTJXYLNSA-N 2 1 278.484 3.689 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC2=CCCCC2)CC1 ZINC000649283992 1128732080 /nfs/dbraw/zinc/73/20/80/1128732080.db2.gz XFBGHXSPCWYJOI-UHFFFAOYSA-N 2 1 264.457 3.539 20 0 CHADMP C[NH+]1CCC2(CCC[N@@H+](CCCC3CCCC3)C2)CC1 ZINC000799178731 1128732325 /nfs/dbraw/zinc/73/23/25/1128732325.db2.gz HEJNPEOAMJWYSL-UHFFFAOYSA-N 2 1 278.484 3.765 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000578904018 1128732766 /nfs/dbraw/zinc/73/27/66/1128732766.db2.gz FFTMNGLDWXSCOW-RBUKOAKNSA-N 2 1 297.446 3.621 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000578904018 1128732771 /nfs/dbraw/zinc/73/27/71/1128732771.db2.gz FFTMNGLDWXSCOW-RBUKOAKNSA-N 2 1 297.446 3.621 20 0 CHADMP CC(C)CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C(C)(C)C ZINC000579767065 1117783765 /nfs/dbraw/zinc/78/37/65/1117783765.db2.gz AOVUELUGFPVWQT-NVXWUHKLSA-N 2 1 280.500 3.911 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000034996120 1117789651 /nfs/dbraw/zinc/78/96/51/1117789651.db2.gz FXEUJFWGLXYICM-OAHLLOKOSA-N 2 1 274.452 3.945 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430164939 1117800974 /nfs/dbraw/zinc/80/09/74/1117800974.db2.gz MZSXIRIRUKPOFF-ROUUACIJSA-N 2 1 278.484 3.787 20 0 CHADMP CC(C)=CCC[C@H](C)CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000430164939 1117800979 /nfs/dbraw/zinc/80/09/79/1117800979.db2.gz MZSXIRIRUKPOFF-ROUUACIJSA-N 2 1 278.484 3.787 20 0 CHADMP CC(C)=CCC[C@H](C)CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000430164939 1117800985 /nfs/dbraw/zinc/80/09/85/1117800985.db2.gz MZSXIRIRUKPOFF-ROUUACIJSA-N 2 1 278.484 3.787 20 0 CHADMP CC[N@H+](CC[NH2+]C1CCC(C(C)(C)C)CC1)C(C)C ZINC001649038261 1117807311 /nfs/dbraw/zinc/80/73/11/1117807311.db2.gz HSTUVVLHTFNZCJ-UHFFFAOYSA-N 2 1 268.489 3.911 20 0 CHADMP CC[N@@H+](CC[NH2+]C1CCC(C(C)(C)C)CC1)C(C)C ZINC001649038261 1117807319 /nfs/dbraw/zinc/80/73/19/1117807319.db2.gz HSTUVVLHTFNZCJ-UHFFFAOYSA-N 2 1 268.489 3.911 20 0 CHADMP C[C@H](CCC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000671295781 1117811303 /nfs/dbraw/zinc/81/13/03/1117811303.db2.gz ZLIHRYZREIAQQX-CABCVRRESA-N 2 1 266.473 3.808 20 0 CHADMP C[C@H](CCC(C)(C)C)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000671295781 1117811310 /nfs/dbraw/zinc/81/13/10/1117811310.db2.gz ZLIHRYZREIAQQX-CABCVRRESA-N 2 1 266.473 3.808 20 0 CHADMP C[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C(C)(C)C ZINC000670265660 1117828291 /nfs/dbraw/zinc/82/82/91/1117828291.db2.gz PAEJAAUEDXDFKP-BFYDXBDKSA-N 2 1 278.484 3.617 20 0 CHADMP C[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C(C)(C)C ZINC000670265660 1117828300 /nfs/dbraw/zinc/82/83/00/1117828300.db2.gz PAEJAAUEDXDFKP-BFYDXBDKSA-N 2 1 278.484 3.617 20 0 CHADMP C[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C(C)(C)C ZINC000670265660 1117828305 /nfs/dbraw/zinc/82/83/05/1117828305.db2.gz PAEJAAUEDXDFKP-BFYDXBDKSA-N 2 1 278.484 3.617 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCSc3ccccc32)CC1(C)C ZINC000623339875 1117836669 /nfs/dbraw/zinc/83/66/69/1117836669.db2.gz NMRHRIUCGHSQLF-ZFWWWQNUSA-N 2 1 290.476 3.686 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCSc3ccccc32)CC1(C)C ZINC000623339875 1117836677 /nfs/dbraw/zinc/83/66/77/1117836677.db2.gz NMRHRIUCGHSQLF-ZFWWWQNUSA-N 2 1 290.476 3.686 20 0 CHADMP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(OC)cc1 ZINC000623339767 1117838387 /nfs/dbraw/zinc/83/83/87/1117838387.db2.gz JNDPLNFGKHLEAB-DOTOQJQBSA-N 2 1 290.451 3.609 20 0 CHADMP Cc1cccc(C(C)(C)C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623384801 1117846934 /nfs/dbraw/zinc/84/69/34/1117846934.db2.gz KOSPDFGZBRNZOE-KRWDZBQOSA-N 2 1 288.479 3.735 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623400735 1117851016 /nfs/dbraw/zinc/85/10/16/1117851016.db2.gz DAAFHAIQILIPBX-PMPSAXMXSA-N 2 1 266.473 3.664 20 0 CHADMP CC[C@@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1F ZINC000623426461 1117853483 /nfs/dbraw/zinc/85/34/83/1117853483.db2.gz MNRNYZOXSRKUGD-XJKSGUPXSA-N 2 1 296.405 3.878 20 0 CHADMP CC[C@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1cc(F)ccc1F ZINC000623428240 1117854245 /nfs/dbraw/zinc/85/42/45/1117854245.db2.gz CZIUFSPFHXVVER-BBRMVZONSA-N 2 1 296.405 3.878 20 0 CHADMP CCCC[N@H+](CCCc1c[nH+]cn1C)C1CCCCC1 ZINC000579137419 1128739278 /nfs/dbraw/zinc/73/92/78/1128739278.db2.gz BPTQAQXKSRLNGX-UHFFFAOYSA-N 2 1 277.456 3.788 20 0 CHADMP CCCC[N@@H+](CCCc1c[nH+]cn1C)C1CCCCC1 ZINC000579137419 1128739281 /nfs/dbraw/zinc/73/92/81/1128739281.db2.gz BPTQAQXKSRLNGX-UHFFFAOYSA-N 2 1 277.456 3.788 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C2(c3cccc(F)c3)CCC2)CC1(C)C ZINC000623557114 1117871635 /nfs/dbraw/zinc/87/16/35/1117871635.db2.gz LHHAFZIALCDMHO-INIZCTEOSA-N 2 1 290.426 3.667 20 0 CHADMP CC[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1F ZINC000623560821 1117872543 /nfs/dbraw/zinc/87/25/43/1117872543.db2.gz UERUVPRVHUCRAH-XJKSGUPXSA-N 2 1 278.415 3.739 20 0 CHADMP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1F ZINC000623560821 1117872551 /nfs/dbraw/zinc/87/25/51/1117872551.db2.gz UERUVPRVHUCRAH-XJKSGUPXSA-N 2 1 278.415 3.739 20 0 CHADMP CC[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623562585 1117873052 /nfs/dbraw/zinc/87/30/52/1117873052.db2.gz WGHPAZYDVACCJC-DLBZAZTESA-N 2 1 292.442 3.609 20 0 CHADMP CC[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623624082 1117879657 /nfs/dbraw/zinc/87/96/57/1117879657.db2.gz RMGOITNZZHOCSE-MSOLQXFVSA-N 2 1 288.479 3.860 20 0 CHADMP CSc1ccc(CNC[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000623727273 1117902511 /nfs/dbraw/zinc/90/25/11/1117902511.db2.gz SIHRXOCCHDRBLT-MRXNPFEDSA-N 2 1 290.476 3.515 20 0 CHADMP CCC[N@@H+]1C[C@@H]2C[NH+](CC[C@H](C)CC(C)(C)C)C[C@@H]2C1 ZINC001208667087 1117906293 /nfs/dbraw/zinc/90/62/93/1117906293.db2.gz XLJKIWQPRSBJLZ-YESZJQIVSA-N 2 1 280.500 3.722 20 0 CHADMP CCC[NH+]1C[C@@H]2C[N@@H+](CC[C@H](C)CC(C)(C)C)C[C@@H]2C1 ZINC001208667087 1117906296 /nfs/dbraw/zinc/90/62/96/1117906296.db2.gz XLJKIWQPRSBJLZ-YESZJQIVSA-N 2 1 280.500 3.722 20 0 CHADMP CCC[NH+]1C[C@@H]2C[N@H+](CC[C@H](C)CC(C)(C)C)C[C@@H]2C1 ZINC001208667087 1117906299 /nfs/dbraw/zinc/90/62/99/1117906299.db2.gz XLJKIWQPRSBJLZ-YESZJQIVSA-N 2 1 280.500 3.722 20 0 CHADMP Cc1csc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)n1 ZINC000623864235 1117946105 /nfs/dbraw/zinc/94/61/05/1117946105.db2.gz JQYIOOAFDUFJAK-DZGCQCFKSA-N 2 1 295.496 3.614 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(C)ccc1C ZINC000623890453 1117952224 /nfs/dbraw/zinc/95/22/24/1117952224.db2.gz MSGNYQMZGSHVTR-AEFFLSMTSA-N 2 1 274.452 3.686 20 0 CHADMP C[C@H](C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C)C(F)(F)F ZINC001208891724 1117953112 /nfs/dbraw/zinc/95/31/12/1117953112.db2.gz LATPWRYRVBLGHV-RDBSUJKOSA-N 2 1 292.389 3.524 20 0 CHADMP C[C@H](C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C)C(F)(F)F ZINC001208891724 1117953115 /nfs/dbraw/zinc/95/31/15/1117953115.db2.gz LATPWRYRVBLGHV-RDBSUJKOSA-N 2 1 292.389 3.524 20 0 CHADMP C[C@H](C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C)C(F)(F)F ZINC001208891724 1117953117 /nfs/dbraw/zinc/95/31/17/1117953117.db2.gz LATPWRYRVBLGHV-RDBSUJKOSA-N 2 1 292.389 3.524 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c(C)s1 ZINC000037140811 1117969986 /nfs/dbraw/zinc/96/99/86/1117969986.db2.gz PNOIJTCTVODDMV-GFCCVEGCSA-N 2 1 278.465 3.642 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc(Cl)cc2)C1 ZINC000232649253 1117972117 /nfs/dbraw/zinc/97/21/17/1117972117.db2.gz MLYBTVPKRWLRNP-HOCLYGCPSA-N 2 1 294.870 3.591 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000624123077 1117984673 /nfs/dbraw/zinc/98/46/73/1117984673.db2.gz FNNGLJWSOUWZCO-LVQVYYBASA-N 2 1 292.492 3.562 20 0 CHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000624120889 1117985418 /nfs/dbraw/zinc/98/54/18/1117985418.db2.gz JJOSSXXSVVUCJJ-CXAGYDPISA-N 2 1 292.854 3.649 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C(C)(C)c1ccccc1 ZINC000624122078 1117985828 /nfs/dbraw/zinc/98/58/28/1117985828.db2.gz JFNKEVITKRHERS-SJORKVTESA-N 2 1 288.479 3.674 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624120220 1117986159 /nfs/dbraw/zinc/98/61/59/1117986159.db2.gz UOKPMHVXUIUPNQ-RDJZCZTQSA-N 2 1 274.452 3.632 20 0 CHADMP Cc1c(F)ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1F ZINC001206590587 1128748393 /nfs/dbraw/zinc/74/83/93/1128748393.db2.gz NUYOHLNDPZIZCZ-OAHLLOKOSA-N 2 1 296.405 3.626 20 0 CHADMP Cc1c(F)ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1F ZINC001206590587 1128748394 /nfs/dbraw/zinc/74/83/94/1128748394.db2.gz NUYOHLNDPZIZCZ-OAHLLOKOSA-N 2 1 296.405 3.626 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](C)Cc2ccccc2)C1 ZINC000182060533 1118013017 /nfs/dbraw/zinc/01/30/17/1118013017.db2.gz DVDMLAHUYYUNHQ-PKOBYXMFSA-N 2 1 288.479 3.575 20 0 CHADMP CCC[C@@H]([NH2+]CC[C@@H](C)[NH+]1CCCCC1)c1ccccn1 ZINC000184501012 1118054743 /nfs/dbraw/zinc/05/47/43/1118054743.db2.gz JDCGLMATYOOJHK-IAGOWNOFSA-N 2 1 289.467 3.777 20 0 CHADMP CCC[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cccnc1 ZINC000184898319 1118058011 /nfs/dbraw/zinc/05/80/11/1118058011.db2.gz ZZJFJBYBFLHXQX-GOSISDBHSA-N 2 1 289.467 3.634 20 0 CHADMP C[C@H]1CCC[N@@H+](Cc2cccc(C(F)F)c2)[C@@H]1CC[NH3+] ZINC000404426092 1118064615 /nfs/dbraw/zinc/06/46/15/1118064615.db2.gz LUZWPVGFSLZYDG-SWLSCSKDSA-N 2 1 282.378 3.574 20 0 CHADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417302581 1118066663 /nfs/dbraw/zinc/06/66/63/1118066663.db2.gz CLXBWQJITQSVKE-CBBWQLFWSA-N 2 1 280.481 3.560 20 0 CHADMP CCC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398144263 1118089140 /nfs/dbraw/zinc/08/91/40/1118089140.db2.gz NJZYINDYJAWFAU-WMZOPIPTSA-N 2 1 288.479 3.923 20 0 CHADMP CCC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398144263 1118089144 /nfs/dbraw/zinc/08/91/44/1118089144.db2.gz NJZYINDYJAWFAU-WMZOPIPTSA-N 2 1 288.479 3.923 20 0 CHADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)[C@H]1C ZINC000398221362 1118101659 /nfs/dbraw/zinc/10/16/59/1118101659.db2.gz SQDZZEFWWXADGV-JZFYCYHFSA-N 2 1 286.463 3.531 20 0 CHADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[C@H]1C ZINC000398221362 1118101662 /nfs/dbraw/zinc/10/16/62/1118101662.db2.gz SQDZZEFWWXADGV-JZFYCYHFSA-N 2 1 286.463 3.531 20 0 CHADMP CSCCCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340245278 1118121347 /nfs/dbraw/zinc/12/13/47/1118121347.db2.gz RFUJPXCWKFBTGB-IRXDYDNUSA-N 2 1 292.492 3.555 20 0 CHADMP CSCCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340245278 1118121348 /nfs/dbraw/zinc/12/13/48/1118121348.db2.gz RFUJPXCWKFBTGB-IRXDYDNUSA-N 2 1 292.492 3.555 20 0 CHADMP CSCCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340245650 1118121679 /nfs/dbraw/zinc/12/16/79/1118121679.db2.gz RFUJPXCWKFBTGB-SJORKVTESA-N 2 1 292.492 3.555 20 0 CHADMP CSCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340245650 1118121682 /nfs/dbraw/zinc/12/16/82/1118121682.db2.gz RFUJPXCWKFBTGB-SJORKVTESA-N 2 1 292.492 3.555 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCC12CCCC2 ZINC000340254723 1118124294 /nfs/dbraw/zinc/12/42/94/1118124294.db2.gz COGHLZMTCVYSGN-MRXNPFEDSA-N 2 1 275.440 3.674 20 0 CHADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C[C@@H](C)c1ccccc1 ZINC000237545574 1118150625 /nfs/dbraw/zinc/15/06/25/1118150625.db2.gz WVOZJDOJBJWUKG-BRWVUGGUSA-N 2 1 274.452 3.500 20 0 CHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C[C@@H](C)c1ccccc1 ZINC000237545574 1118150626 /nfs/dbraw/zinc/15/06/26/1118150626.db2.gz WVOZJDOJBJWUKG-BRWVUGGUSA-N 2 1 274.452 3.500 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CCCCCC2)C1 ZINC000237536917 1118150871 /nfs/dbraw/zinc/15/08/71/1118150871.db2.gz AHNKFNRPMXDNDC-MRXNPFEDSA-N 2 1 266.473 3.811 20 0 CHADMP C[NH+]1CCC([NH2+]C2CCC(C3CCCCC3)CC2)CC1 ZINC000683471177 1118164671 /nfs/dbraw/zinc/16/46/71/1118164671.db2.gz CEJDVAYWZHJCMI-UHFFFAOYSA-N 2 1 278.484 3.809 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[C@@H](C)SC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000655750401 1118202355 /nfs/dbraw/zinc/20/23/55/1118202355.db2.gz AEYIZONCNPBFKY-WCVJEAGWSA-N 2 1 296.524 3.513 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[C@@H](C)SC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000655750399 1118203530 /nfs/dbraw/zinc/20/35/30/1118203530.db2.gz AEYIZONCNPBFKY-QXSJWSMHSA-N 2 1 296.524 3.513 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[C@@H](C)SC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000655750400 1118203635 /nfs/dbraw/zinc/20/36/35/1118203635.db2.gz AEYIZONCNPBFKY-UGUYLWEFSA-N 2 1 296.524 3.513 20 0 CHADMP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000121486771 1118229636 /nfs/dbraw/zinc/22/96/36/1118229636.db2.gz BSIZYJQXWABHGE-IJEWVQPXSA-N 2 1 265.445 3.632 20 0 CHADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C4CCCC4)C3)C2)cc1 ZINC000671723255 1118310376 /nfs/dbraw/zinc/31/03/76/1118310376.db2.gz IZLDGSAHLHGTEE-IBGZPJMESA-N 2 1 284.447 3.527 20 0 CHADMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C4CCCC4)C3)C2)cc1 ZINC000671723255 1118310379 /nfs/dbraw/zinc/31/03/79/1118310379.db2.gz IZLDGSAHLHGTEE-IBGZPJMESA-N 2 1 284.447 3.527 20 0 CHADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C4CCCC4)C3)C2)cc1 ZINC000671723255 1118310384 /nfs/dbraw/zinc/31/03/84/1118310384.db2.gz IZLDGSAHLHGTEE-IBGZPJMESA-N 2 1 284.447 3.527 20 0 CHADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000128861710 1118334717 /nfs/dbraw/zinc/33/47/17/1118334717.db2.gz FIAKCQWHIOWZCK-PWSUYJOCSA-N 2 1 287.234 3.786 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3cnccc3c2)C[C@H]1C ZINC000683831054 1118398668 /nfs/dbraw/zinc/39/86/68/1118398668.db2.gz GLGSGXFWOUGYHF-DNVCBOLYSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc3cnccc3c2)C[C@H]1C ZINC000683831054 1118398673 /nfs/dbraw/zinc/39/86/73/1118398673.db2.gz GLGSGXFWOUGYHF-DNVCBOLYSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc3cnccc3c2)C[C@H]1C ZINC000683831054 1118398678 /nfs/dbraw/zinc/39/86/78/1118398678.db2.gz GLGSGXFWOUGYHF-DNVCBOLYSA-N 2 1 297.446 3.539 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)c(F)c1 ZINC000580289066 1118413789 /nfs/dbraw/zinc/41/37/89/1118413789.db2.gz UZPVQBPVQCPMFJ-STQMWFEESA-N 2 1 298.833 3.862 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C/C=C\c2ccc(F)cc2)[C@H](C)C1 ZINC000255393503 1118422316 /nfs/dbraw/zinc/42/23/16/1118422316.db2.gz FYUFNEOZVVLAHN-XSRQRWQSSA-N 2 1 290.426 3.501 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C/C=C\c2ccc(F)cc2)[C@H](C)C1 ZINC000255393503 1118422317 /nfs/dbraw/zinc/42/23/17/1118422317.db2.gz FYUFNEOZVVLAHN-XSRQRWQSSA-N 2 1 290.426 3.501 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C/C=C\c2ccc(F)cc2)[C@H](C)C1 ZINC000255393503 1118422318 /nfs/dbraw/zinc/42/23/18/1118422318.db2.gz FYUFNEOZVVLAHN-XSRQRWQSSA-N 2 1 290.426 3.501 20 0 CHADMP Cc1ccc([C@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)C2CCC2)o1 ZINC000580379390 1118440799 /nfs/dbraw/zinc/44/07/99/1118440799.db2.gz YKPZUUVUJRLNRK-RDTXWAMCSA-N 2 1 290.451 3.751 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCCC(C)(C)C2)CC1(C)C ZINC001658138509 1118462941 /nfs/dbraw/zinc/46/29/41/1118462941.db2.gz FDDSKFXMCMDQCH-LSDHHAIUSA-N 2 1 266.473 3.665 20 0 CHADMP CC1=C(C)C[C@H]([C@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC001658248502 1118464700 /nfs/dbraw/zinc/46/47/00/1118464700.db2.gz FVRGRBXIYVASSX-YESZJQIVSA-N 2 1 266.473 3.830 20 0 CHADMP CC1=C(C)C[C@H]([C@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC001658248502 1118464702 /nfs/dbraw/zinc/46/47/02/1118464702.db2.gz FVRGRBXIYVASSX-YESZJQIVSA-N 2 1 266.473 3.830 20 0 CHADMP CC[NH+](CC)C1CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC000075640811 1118486649 /nfs/dbraw/zinc/48/66/49/1118486649.db2.gz QDVTUDNUZZLJDE-MRXNPFEDSA-N 2 1 274.452 3.862 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCCCC1 ZINC000398229213 1118503197 /nfs/dbraw/zinc/50/31/97/1118503197.db2.gz WDAONCOYSXIIBC-VQIMIIECSA-N 2 1 286.463 3.819 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCCCC1 ZINC000398229213 1118503200 /nfs/dbraw/zinc/50/32/00/1118503200.db2.gz WDAONCOYSXIIBC-VQIMIIECSA-N 2 1 286.463 3.819 20 0 CHADMP CC(C)=CCC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000126525238 1118509633 /nfs/dbraw/zinc/50/96/33/1118509633.db2.gz LDICJGXKBVHFSP-XYTVBORESA-N 2 1 264.457 3.726 20 0 CHADMP CC(C)=CCC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000126525238 1118509637 /nfs/dbraw/zinc/50/96/37/1118509637.db2.gz LDICJGXKBVHFSP-XYTVBORESA-N 2 1 264.457 3.726 20 0 CHADMP CCCc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000621718085 1118540891 /nfs/dbraw/zinc/54/08/91/1118540891.db2.gz YEHWQEWLTNEQGW-OAHLLOKOSA-N 2 1 292.492 3.618 20 0 CHADMP CCCc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000621718085 1118540894 /nfs/dbraw/zinc/54/08/94/1118540894.db2.gz YEHWQEWLTNEQGW-OAHLLOKOSA-N 2 1 292.492 3.618 20 0 CHADMP C(C[NH2+]C1CCCCC1)C[NH+]1C2CCCC1CCC2 ZINC000706881966 1118560987 /nfs/dbraw/zinc/56/09/87/1118560987.db2.gz AXMZUOJLYOYHST-UHFFFAOYSA-N 2 1 264.457 3.706 20 0 CHADMP CC[C@@H](c1ccccc1)[N@@H+](C)C1CCC([NH2+]C)CC1 ZINC000091870971 1118582780 /nfs/dbraw/zinc/58/27/80/1118582780.db2.gz OPPFNVGHHOXGTN-JCYILVPMSA-N 2 1 260.425 3.600 20 0 CHADMP CC(C)C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000341036122 1118592225 /nfs/dbraw/zinc/59/22/25/1118592225.db2.gz ITISMTWGLKPGES-ROUUACIJSA-N 2 1 274.452 3.848 20 0 CHADMP C[N@@H+](Cc1cccc(C2CCCC2)c1)C1CC[NH2+]CC1 ZINC000656786674 1118658529 /nfs/dbraw/zinc/65/85/29/1118658529.db2.gz ORLKCRXSYKHISE-UHFFFAOYSA-N 2 1 272.436 3.528 20 0 CHADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc3ccccc3o2)C1 ZINC000040622039 1118695144 /nfs/dbraw/zinc/69/51/44/1118695144.db2.gz AGEPFPIOKMZGBO-GJZGRUSLSA-N 2 1 286.419 3.814 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc3ccccc3o2)C1 ZINC000040622039 1118695146 /nfs/dbraw/zinc/69/51/46/1118695146.db2.gz AGEPFPIOKMZGBO-GJZGRUSLSA-N 2 1 286.419 3.814 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](CC)c2ccccc2)CC1 ZINC000510468063 1118706074 /nfs/dbraw/zinc/70/60/74/1118706074.db2.gz WMVAGCMGZQQWRJ-KRWDZBQOSA-N 2 1 288.479 3.986 20 0 CHADMP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000430694615 1118748325 /nfs/dbraw/zinc/74/83/25/1118748325.db2.gz DUHZHNHPTNELIY-DJIMGWMZSA-N 2 1 277.456 3.776 20 0 CHADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000131716548 1118763005 /nfs/dbraw/zinc/76/30/05/1118763005.db2.gz UUGHBUDXMHIMDE-ILXRZTDVSA-N 2 1 274.452 3.714 20 0 CHADMP C[C@H]([NH2+]CC1=CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000401090820 1118778732 /nfs/dbraw/zinc/77/87/32/1118778732.db2.gz VLRPRKUJBQPAAI-LPHOPBHVSA-N 2 1 284.447 3.597 20 0 CHADMP Cc1nccn1CCC[N@@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000092821800 1118851702 /nfs/dbraw/zinc/85/17/02/1118851702.db2.gz MJUOFEQYNBVBEO-UHFFFAOYSA-N 2 1 295.430 3.679 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000092821800 1118851704 /nfs/dbraw/zinc/85/17/04/1118851704.db2.gz MJUOFEQYNBVBEO-UHFFFAOYSA-N 2 1 295.430 3.679 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000092821800 1118851707 /nfs/dbraw/zinc/85/17/07/1118851707.db2.gz MJUOFEQYNBVBEO-UHFFFAOYSA-N 2 1 295.430 3.679 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000401383557 1118902864 /nfs/dbraw/zinc/90/28/64/1118902864.db2.gz IDUPPFQJBMRZAH-BRWVUGGUSA-N 2 1 266.473 3.523 20 0 CHADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCC(c2ccccc2)CC1 ZINC000226436662 1118927620 /nfs/dbraw/zinc/92/76/20/1118927620.db2.gz ZHWDRPBYAZTIFR-IPJUCJBFSA-N 2 1 286.463 3.644 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccccc2SC)C1 ZINC000358061346 1118929396 /nfs/dbraw/zinc/92/93/96/1118929396.db2.gz IAOLFHYGKXFXJV-OAHLLOKOSA-N 2 1 292.492 3.572 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccccc2SC)C1 ZINC000358061346 1118929398 /nfs/dbraw/zinc/92/93/98/1118929398.db2.gz IAOLFHYGKXFXJV-OAHLLOKOSA-N 2 1 292.492 3.572 20 0 CHADMP Cc1ccc2[nH]c(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2c1C ZINC000472052096 1118951209 /nfs/dbraw/zinc/95/12/09/1118951209.db2.gz CHDBFKDWICKJSF-UHFFFAOYSA-N 2 1 297.446 3.501 20 0 CHADMP C1CC1[NH+]1CCC([NH2+]C2CCC(C3CCC3)CC2)CC1 ZINC000657295080 1118963932 /nfs/dbraw/zinc/96/39/32/1118963932.db2.gz ILVIQWSNWRZAHF-UHFFFAOYSA-N 2 1 276.468 3.562 20 0 CHADMP C1CC(C2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)C1 ZINC000657313319 1118988129 /nfs/dbraw/zinc/98/81/29/1118988129.db2.gz IWDKUPYMMVWWCB-HIEASXQVSA-N 2 1 276.468 3.562 20 0 CHADMP Cc1cccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1F ZINC000582043296 1118994038 /nfs/dbraw/zinc/99/40/38/1118994038.db2.gz YAGFCZODWSRQTG-UHFFFAOYSA-N 2 1 292.442 3.686 20 0 CHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(C(C)(C)C)CC1 ZINC000472171329 1119015031 /nfs/dbraw/zinc/01/50/31/1119015031.db2.gz CNJZYXSNWDJIOH-INIZCTEOSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H](c1ccccc1Cl)[N@H+](C)CCCc1c[nH+]cn1C ZINC000582309066 1119049055 /nfs/dbraw/zinc/04/90/55/1119049055.db2.gz LDGAVAMRCSIXMR-ZDUSSCGKSA-N 2 1 291.826 3.699 20 0 CHADMP C[C@@H](c1ccccc1Cl)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000582309066 1119049060 /nfs/dbraw/zinc/04/90/60/1119049060.db2.gz LDGAVAMRCSIXMR-ZDUSSCGKSA-N 2 1 291.826 3.699 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC2(C)C)c1 ZINC000342692087 1119127996 /nfs/dbraw/zinc/12/79/96/1119127996.db2.gz XFCNAMNEPGSPKW-KRWDZBQOSA-N 2 1 274.452 3.805 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccsc1 ZINC000663467086 1119148447 /nfs/dbraw/zinc/14/84/47/1119148447.db2.gz ZMPSLKGBERGTFX-RDJZCZTQSA-N 2 1 292.492 3.911 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCC2(C)C)cc1F ZINC000342736955 1119148924 /nfs/dbraw/zinc/14/89/24/1119148924.db2.gz QEKQZYOXUQOMAQ-INIZCTEOSA-N 2 1 287.382 3.598 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000343090264 1119307605 /nfs/dbraw/zinc/30/76/05/1119307605.db2.gz DPSOSMPNGOVSSV-BHIYHBOVSA-N 2 1 286.463 3.644 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000261642418 1119391749 /nfs/dbraw/zinc/39/17/49/1119391749.db2.gz LFUVZJGNKGKHRC-KBPBESRZSA-N 2 1 292.854 3.865 20 0 CHADMP CCCC[C@@H](C)[C@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000343545502 1119449663 /nfs/dbraw/zinc/44/96/63/1119449663.db2.gz YWGNIRDLMHAPCH-CABCVRRESA-N 2 1 265.445 3.776 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccccc2C)C1 ZINC000151337059 1119451101 /nfs/dbraw/zinc/45/11/01/1119451101.db2.gz LPDIDHCWKPFNJB-IRXDYDNUSA-N 2 1 274.452 3.720 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC000151337059 1119451105 /nfs/dbraw/zinc/45/11/05/1119451105.db2.gz LPDIDHCWKPFNJB-IRXDYDNUSA-N 2 1 274.452 3.720 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC000151337059 1119451108 /nfs/dbraw/zinc/45/11/08/1119451108.db2.gz LPDIDHCWKPFNJB-IRXDYDNUSA-N 2 1 274.452 3.720 20 0 CHADMP CCC(CC)[C@@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)[NH+](C)C ZINC000657832231 1119482516 /nfs/dbraw/zinc/48/25/16/1119482516.db2.gz JVLBHGRUKQYJPC-WCQYABFASA-N 2 1 278.431 3.622 20 0 CHADMP CCCCC[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000250819675 1119497861 /nfs/dbraw/zinc/49/78/61/1119497861.db2.gz KRHOFVWLKKLGMJ-HZPDHXFCSA-N 2 1 254.462 3.809 20 0 CHADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(C)(C)C(F)F ZINC000657839447 1119499518 /nfs/dbraw/zinc/49/95/18/1119499518.db2.gz VTNIRZDDXNLQBV-MJBXVCDLSA-N 2 1 290.442 3.624 20 0 CHADMP C[C@H]1CCC[NH+]1Cc1ccccc1C[N@@H+]1CCC[C@@H]1C ZINC000343748987 1119502262 /nfs/dbraw/zinc/50/22/62/1119502262.db2.gz XOPXXMHPWVDITH-HOTGVXAUSA-N 2 1 272.436 3.655 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C(C)(C)C(F)F ZINC000657838799 1119502905 /nfs/dbraw/zinc/50/29/05/1119502905.db2.gz YFOGVKJJBSOBIL-UONOGXRCSA-N 2 1 290.442 3.768 20 0 CHADMP C[C@H]([NH2+]C[C@@H](C1CCCCC1)[NH+](C)C)C(C)(C)C(F)F ZINC000657839802 1119503420 /nfs/dbraw/zinc/50/34/20/1119503420.db2.gz GXQFHCCLXJSUPJ-JSGCOSHPSA-N 2 1 290.442 3.766 20 0 CHADMP C1CC1[NH+]1CCC([NH2+][C@H](C2CCC2)C2CCCC2)CC1 ZINC000647330422 1119511370 /nfs/dbraw/zinc/51/13/70/1119511370.db2.gz IUUCTWWLYFGLLV-SFHVURJKSA-N 2 1 276.468 3.562 20 0 CHADMP c1nc2c(n1[C@H]1CCC[N@H+](Cc3ccccc3)C1)CCCC2 ZINC000628371673 1128850970 /nfs/dbraw/zinc/85/09/70/1128850970.db2.gz WKIGRUIYLYMOAQ-KRWDZBQOSA-N 2 1 295.430 3.599 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1cccc(C)c1 ZINC000136293373 1119522470 /nfs/dbraw/zinc/52/24/70/1119522470.db2.gz DVCTUCOXUFPQAD-HNNXBMFYSA-N 2 1 271.408 3.583 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1cccc(C)c1 ZINC000136293373 1119522475 /nfs/dbraw/zinc/52/24/75/1119522475.db2.gz DVCTUCOXUFPQAD-HNNXBMFYSA-N 2 1 271.408 3.583 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000136298804 1119523163 /nfs/dbraw/zinc/52/31/63/1119523163.db2.gz WOBFWEVIQPGZHX-GFCCVEGCSA-N 2 1 293.361 3.553 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000136298804 1119523166 /nfs/dbraw/zinc/52/31/66/1119523166.db2.gz WOBFWEVIQPGZHX-GFCCVEGCSA-N 2 1 293.361 3.553 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)C1CCCCC1 ZINC000090955670 1119547428 /nfs/dbraw/zinc/54/74/28/1119547428.db2.gz LDDDQSMIFCJOGJ-ZBFHGGJFSA-N 2 1 266.473 3.523 20 0 CHADMP Cc1ccccc1C1CC([NH2+][C@@H](C)C[N@H+](C)C(C)C)C1 ZINC000312291513 1119603713 /nfs/dbraw/zinc/60/37/13/1119603713.db2.gz BALGFMIYMNKLKZ-GTPINHCMSA-N 2 1 274.452 3.559 20 0 CHADMP Cc1ccccc1C1CC([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC000312291513 1119603714 /nfs/dbraw/zinc/60/37/14/1119603714.db2.gz BALGFMIYMNKLKZ-GTPINHCMSA-N 2 1 274.452 3.559 20 0 CHADMP CCCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000685469213 1119612783 /nfs/dbraw/zinc/61/27/83/1119612783.db2.gz VVGQWWBALHGLOC-BBWFWOEESA-N 2 1 264.457 3.562 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2ccc(C)cc2)[C@H](C)C1 ZINC000544071464 1119621504 /nfs/dbraw/zinc/62/15/04/1119621504.db2.gz ZOKGMPNFCBPRAW-IEBWSBKVSA-N 2 1 288.479 3.590 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2ccc(C)cc2)[C@H](C)C1 ZINC000544071464 1119621505 /nfs/dbraw/zinc/62/15/05/1119621505.db2.gz ZOKGMPNFCBPRAW-IEBWSBKVSA-N 2 1 288.479 3.590 20 0 CHADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000685662206 1119649304 /nfs/dbraw/zinc/64/93/04/1119649304.db2.gz BYIMFULDXBEMJG-ZIAGYGMSSA-N 2 1 298.421 3.604 20 0 CHADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000685662206 1119649305 /nfs/dbraw/zinc/64/93/05/1119649305.db2.gz BYIMFULDXBEMJG-ZIAGYGMSSA-N 2 1 298.421 3.604 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000685666067 1119650582 /nfs/dbraw/zinc/65/05/82/1119650582.db2.gz RTPAYXDSVMZAJJ-KGLIPLIRSA-N 2 1 290.442 3.910 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000685666067 1119650584 /nfs/dbraw/zinc/65/05/84/1119650584.db2.gz RTPAYXDSVMZAJJ-KGLIPLIRSA-N 2 1 290.442 3.910 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000685666068 1119650721 /nfs/dbraw/zinc/65/07/21/1119650721.db2.gz RTPAYXDSVMZAJJ-ZIAGYGMSSA-N 2 1 290.442 3.910 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000685666068 1119650724 /nfs/dbraw/zinc/65/07/24/1119650724.db2.gz RTPAYXDSVMZAJJ-ZIAGYGMSSA-N 2 1 290.442 3.910 20 0 CHADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC001258155087 1128861757 /nfs/dbraw/zinc/86/17/57/1128861757.db2.gz AATWIIRGAJRLPT-XUWVNRHRSA-N 2 1 266.473 3.664 20 0 CHADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC001258155087 1128861760 /nfs/dbraw/zinc/86/17/60/1128861760.db2.gz AATWIIRGAJRLPT-XUWVNRHRSA-N 2 1 266.473 3.664 20 0 CHADMP C[C@H](CCc1ccco1)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658226166 1119706066 /nfs/dbraw/zinc/70/60/66/1119706066.db2.gz GUGDBZRHHZNLMJ-CVEARBPZSA-N 2 1 290.451 3.597 20 0 CHADMP C[C@H](CCc1ccco1)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658226166 1119706069 /nfs/dbraw/zinc/70/60/69/1119706069.db2.gz GUGDBZRHHZNLMJ-CVEARBPZSA-N 2 1 290.451 3.597 20 0 CHADMP CC[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658320537 1119723808 /nfs/dbraw/zinc/72/38/08/1119723808.db2.gz ZGDUFKTUGPVJBG-WMZOPIPTSA-N 2 1 286.463 3.677 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C[C@H]3CC=CCC3)C2)cc1 ZINC000309731126 1119833737 /nfs/dbraw/zinc/83/37/37/1119833737.db2.gz PCPONDNOPLACBE-ICSRJNTNSA-N 2 1 298.474 3.845 20 0 CHADMP CC[C@@H]1C[N@@H+](C[C@H](C)c2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000647497462 1119847636 /nfs/dbraw/zinc/84/76/36/1119847636.db2.gz IOLAGWCVQOYTGR-WOSRLPQWSA-N 2 1 280.843 3.503 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@H]1C[C@H]1C ZINC000414080128 1119887115 /nfs/dbraw/zinc/88/71/15/1119887115.db2.gz CSOFDHAHDYPJDE-DRMAHVMPSA-N 2 1 286.463 3.846 20 0 CHADMP CCC[C@H](C)[C@@H](CC)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414176444 1119928024 /nfs/dbraw/zinc/92/80/24/1119928024.db2.gz IZZWHQCSIHJLLF-HRCADAONSA-N 2 1 254.462 3.523 20 0 CHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000414183255 1119929628 /nfs/dbraw/zinc/92/96/28/1119929628.db2.gz NDUPEAUIPTVAJD-CXAGYDPISA-N 2 1 292.854 3.649 20 0 CHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCc3cc(F)ccc32)C1 ZINC000414192071 1119931919 /nfs/dbraw/zinc/93/19/19/1119931919.db2.gz SIPMGRMGNLAOCJ-KBXCAEBGSA-N 2 1 290.426 3.525 20 0 CHADMP CSc1ccccc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414190096 1119932836 /nfs/dbraw/zinc/93/28/36/1119932836.db2.gz RGJDRXBREOAXFM-GJZGRUSLSA-N 2 1 292.492 3.791 20 0 CHADMP Cc1cccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000414197490 1119934525 /nfs/dbraw/zinc/93/45/25/1119934525.db2.gz WNSYGTXLNKJAEE-IRXDYDNUSA-N 2 1 274.452 3.686 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCC2 ZINC000414199586 1119935092 /nfs/dbraw/zinc/93/50/92/1119935092.db2.gz XNLJNJRAOGHBCX-JKSUJKDBSA-N 2 1 286.463 3.558 20 0 CHADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1F ZINC000414198281 1119935219 /nfs/dbraw/zinc/93/52/19/1119935219.db2.gz WXRUQWUFKBYQBY-GUYCJALGSA-N 2 1 296.405 3.737 20 0 CHADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(C)c1 ZINC000414202505 1119936661 /nfs/dbraw/zinc/93/66/61/1119936661.db2.gz YWUCQRDQTBPMFG-SJLPKXTDSA-N 2 1 274.452 3.768 20 0 CHADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c2ccccc12 ZINC000414216194 1119943543 /nfs/dbraw/zinc/94/35/43/1119943543.db2.gz YYXVNLJBOOWTNR-BEFAXECRSA-N 2 1 282.431 3.578 20 0 CHADMP Cc1oc(C(C)(C)C)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000892607583 1119975927 /nfs/dbraw/zinc/97/59/27/1119975927.db2.gz KSEOAYOJTOMAHJ-HOTGVXAUSA-N 2 1 290.451 3.602 20 0 CHADMP Cc1oc(C(C)(C)C)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000892607583 1119975929 /nfs/dbraw/zinc/97/59/29/1119975929.db2.gz KSEOAYOJTOMAHJ-HOTGVXAUSA-N 2 1 290.451 3.602 20 0 CHADMP Cc1oc(C(C)(C)C)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000892607586 1119976189 /nfs/dbraw/zinc/97/61/89/1119976189.db2.gz KSEOAYOJTOMAHJ-HZPDHXFCSA-N 2 1 290.451 3.602 20 0 CHADMP Cc1oc(C(C)(C)C)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000892607586 1119976183 /nfs/dbraw/zinc/97/61/83/1119976183.db2.gz KSEOAYOJTOMAHJ-HZPDHXFCSA-N 2 1 290.451 3.602 20 0 CHADMP CCC[C@@]1(C)CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000472593507 1119994639 /nfs/dbraw/zinc/99/46/39/1119994639.db2.gz XIZGNXLCCFJIRY-SJORKVTESA-N 2 1 266.473 3.763 20 0 CHADMP CCC[C@@]1(C)CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000472593507 1119994641 /nfs/dbraw/zinc/99/46/41/1119994641.db2.gz XIZGNXLCCFJIRY-SJORKVTESA-N 2 1 266.473 3.763 20 0 CHADMP CCC[C@@]1(C)CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000472593507 1119994644 /nfs/dbraw/zinc/99/46/44/1119994644.db2.gz XIZGNXLCCFJIRY-SJORKVTESA-N 2 1 266.473 3.763 20 0 CHADMP CC(C)C(C(C)C)[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000924591154 1120069486 /nfs/dbraw/zinc/06/94/86/1120069486.db2.gz GLPBOCPEJWGGBP-AWEZNQCLSA-N 2 1 266.473 3.520 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccoc1 ZINC000378160167 1120111631 /nfs/dbraw/zinc/11/16/31/1120111631.db2.gz IDTAPJPHPWDMBU-SJLPKXTDSA-N 2 1 298.430 3.842 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccoc1 ZINC000378160167 1120111633 /nfs/dbraw/zinc/11/16/33/1120111633.db2.gz IDTAPJPHPWDMBU-SJLPKXTDSA-N 2 1 298.430 3.842 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccoc1 ZINC000378160168 1120112153 /nfs/dbraw/zinc/11/21/53/1120112153.db2.gz IDTAPJPHPWDMBU-WMZOPIPTSA-N 2 1 298.430 3.842 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccoc1 ZINC000378160168 1120112157 /nfs/dbraw/zinc/11/21/57/1120112157.db2.gz IDTAPJPHPWDMBU-WMZOPIPTSA-N 2 1 298.430 3.842 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC001116473028 1120127517 /nfs/dbraw/zinc/12/75/17/1120127517.db2.gz JHCBZZJDPMBLRJ-RDTXWAMCSA-N 2 1 290.426 3.598 20 0 CHADMP Cc1ccccc1[C@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000472668553 1120138909 /nfs/dbraw/zinc/13/89/09/1120138909.db2.gz GWDNTMDAEFKDFM-ROUUACIJSA-N 2 1 286.463 3.659 20 0 CHADMP Cc1ccccc1[C@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000472668553 1120138912 /nfs/dbraw/zinc/13/89/12/1120138912.db2.gz GWDNTMDAEFKDFM-ROUUACIJSA-N 2 1 286.463 3.659 20 0 CHADMP Cc1ccccc1[C@H]1CC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000472668553 1120138915 /nfs/dbraw/zinc/13/89/15/1120138915.db2.gz GWDNTMDAEFKDFM-ROUUACIJSA-N 2 1 286.463 3.659 20 0 CHADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cccc(Cl)c2)C1 ZINC000642621090 1120161682 /nfs/dbraw/zinc/16/16/82/1120161682.db2.gz SGSQTZPOTJJWFB-HUUCEWRRSA-N 2 1 294.870 3.798 20 0 CHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(c2ccccc2)CC1 ZINC000472773653 1120170360 /nfs/dbraw/zinc/17/03/60/1120170360.db2.gz OOQABIVGOGKFLY-LJQANCHMSA-N 2 1 286.463 3.740 20 0 CHADMP CC(C)[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(F)c(F)c1 ZINC000542847157 1120178788 /nfs/dbraw/zinc/17/87/88/1120178788.db2.gz BDCXYEWQGOGGFY-QGZVFWFLSA-N 2 1 294.389 3.513 20 0 CHADMP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000472851300 1120211002 /nfs/dbraw/zinc/21/10/02/1120211002.db2.gz CUPDJWVRIFNYDI-UKRRQHHQSA-N 2 1 296.405 3.832 20 0 CHADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000472851300 1120211005 /nfs/dbraw/zinc/21/10/05/1120211005.db2.gz CUPDJWVRIFNYDI-UKRRQHHQSA-N 2 1 296.405 3.832 20 0 CHADMP C[C@H](c1ccc(F)c(F)c1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000472851300 1120211010 /nfs/dbraw/zinc/21/10/10/1120211010.db2.gz CUPDJWVRIFNYDI-UKRRQHHQSA-N 2 1 296.405 3.832 20 0 CHADMP C[C@H](c1ccc(F)c(F)c1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000472851300 1120211012 /nfs/dbraw/zinc/21/10/12/1120211012.db2.gz CUPDJWVRIFNYDI-UKRRQHHQSA-N 2 1 296.405 3.832 20 0 CHADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168684591 1120244764 /nfs/dbraw/zinc/24/47/64/1120244764.db2.gz KPMANAHJOBSIHG-HNNXBMFYSA-N 2 1 294.870 3.519 20 0 CHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@](C)(c2ccccc2)C1 ZINC000472939680 1120276369 /nfs/dbraw/zinc/27/63/69/1120276369.db2.gz KLCIGNBCUWOKCF-RBUKOAKNSA-N 2 1 286.463 3.524 20 0 CHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000472939680 1120276370 /nfs/dbraw/zinc/27/63/70/1120276370.db2.gz KLCIGNBCUWOKCF-RBUKOAKNSA-N 2 1 286.463 3.524 20 0 CHADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000472939680 1120276373 /nfs/dbraw/zinc/27/63/73/1120276373.db2.gz KLCIGNBCUWOKCF-RBUKOAKNSA-N 2 1 286.463 3.524 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(SC)c2)[C@H](C)C1 ZINC000660082989 1120369182 /nfs/dbraw/zinc/36/91/82/1120369182.db2.gz PTAGGTBKIPKIJH-PBHICJAKSA-N 2 1 292.492 3.571 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(SC)c2)[C@H](C)C1 ZINC000660082989 1120369187 /nfs/dbraw/zinc/36/91/87/1120369187.db2.gz PTAGGTBKIPKIJH-PBHICJAKSA-N 2 1 292.492 3.571 20 0 CHADMP C[C@@H](Cc1ccsc1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000543081645 1120403891 /nfs/dbraw/zinc/40/38/91/1120403891.db2.gz YILBJGKRFYCTTJ-RDJZCZTQSA-N 2 1 292.492 3.629 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000629542958 1128914782 /nfs/dbraw/zinc/91/47/82/1128914782.db2.gz PZMYMPCVKJSADA-RXGFPQBGSA-N 2 1 298.883 3.624 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+](CC2(SC)CCC2)CC1 ZINC000584727521 1120421789 /nfs/dbraw/zinc/42/17/89/1120421789.db2.gz HBQIWXUIVLBOCA-UHFFFAOYSA-N 2 1 298.540 3.716 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000417336391 1120429755 /nfs/dbraw/zinc/42/97/55/1120429755.db2.gz HWQFPYVZLFMLLV-LVQVYYBASA-N 2 1 292.492 3.562 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+]CCCC2CCCCC2)C1 ZINC000584746198 1120429976 /nfs/dbraw/zinc/42/99/76/1120429976.db2.gz CPAKZDVSYYNHOF-KRWDZBQOSA-N 2 1 266.473 3.668 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2CC24CC4)C3)cc1 ZINC000417344643 1120433090 /nfs/dbraw/zinc/43/30/90/1120433090.db2.gz WLEMSUVHAPCKOA-AKHDSKFASA-N 2 1 296.458 3.572 20 0 CHADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417354193 1120434856 /nfs/dbraw/zinc/43/48/56/1120434856.db2.gz ZBORQRVYKQFBGR-APIJFGDWSA-N 2 1 280.481 3.558 20 0 CHADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417354193 1120434860 /nfs/dbraw/zinc/43/48/60/1120434860.db2.gz ZBORQRVYKQFBGR-APIJFGDWSA-N 2 1 280.481 3.558 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C2CC2)cc1 ZINC000417356889 1120435716 /nfs/dbraw/zinc/43/57/16/1120435716.db2.gz QNRJSGXHKSMEFO-QWQRMKEZSA-N 2 1 272.436 3.697 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C2CC2)cc1 ZINC000417356889 1120435719 /nfs/dbraw/zinc/43/57/19/1120435719.db2.gz QNRJSGXHKSMEFO-QWQRMKEZSA-N 2 1 272.436 3.697 20 0 CHADMP Cc1ccc2c(C)cc(NC3CC[NH+](C(C)C)CC3)[nH+]c2c1 ZINC000499662911 1120442341 /nfs/dbraw/zinc/44/23/41/1120442341.db2.gz RMCRHDUKDWIPPC-UHFFFAOYSA-N 2 1 297.446 3.558 20 0 CHADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc2ccccc21 ZINC000584772818 1120443447 /nfs/dbraw/zinc/44/34/47/1120443447.db2.gz IXFJJEVPKMKZRK-HNAYVOBHSA-N 2 1 282.431 3.612 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc2ccccc21 ZINC000584772818 1120443450 /nfs/dbraw/zinc/44/34/50/1120443450.db2.gz IXFJJEVPKMKZRK-HNAYVOBHSA-N 2 1 282.431 3.612 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc2ccccc21 ZINC000584772818 1120443453 /nfs/dbraw/zinc/44/34/53/1120443453.db2.gz IXFJJEVPKMKZRK-HNAYVOBHSA-N 2 1 282.431 3.612 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc2ccccc21 ZINC000584772818 1120443455 /nfs/dbraw/zinc/44/34/55/1120443455.db2.gz IXFJJEVPKMKZRK-HNAYVOBHSA-N 2 1 282.431 3.612 20 0 CHADMP c1csc(-c2ccc(C[NH2+]CCC[NH+]3CCC3)cc2)c1 ZINC000657423036 1120453387 /nfs/dbraw/zinc/45/33/87/1120453387.db2.gz DVGQNCKCCDXCEA-UHFFFAOYSA-N 2 1 286.444 3.601 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CCc2ccc(F)cc21 ZINC000479889477 1120488854 /nfs/dbraw/zinc/48/88/54/1120488854.db2.gz SFBNAWXRUQDQDU-KDOFPFPSSA-N 2 1 290.426 3.667 20 0 CHADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000479889477 1120488858 /nfs/dbraw/zinc/48/88/58/1120488858.db2.gz SFBNAWXRUQDQDU-KDOFPFPSSA-N 2 1 290.426 3.667 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000479889477 1120488859 /nfs/dbraw/zinc/48/88/59/1120488859.db2.gz SFBNAWXRUQDQDU-KDOFPFPSSA-N 2 1 290.426 3.667 20 0 CHADMP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cc2ccccc2o1 ZINC000019905915 1120490808 /nfs/dbraw/zinc/49/08/08/1120490808.db2.gz BMIWUEMVHYHQOO-ZDUSSCGKSA-N 2 1 274.408 3.671 20 0 CHADMP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000651491991 1120545619 /nfs/dbraw/zinc/54/56/19/1120545619.db2.gz FVTSBRICBUBYKG-BEFAXECRSA-N 2 1 286.463 3.774 20 0 CHADMP COc1ccccc1[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000019913030 1120548995 /nfs/dbraw/zinc/54/89/95/1120548995.db2.gz KEUDPXLVXBQUNX-HOTGVXAUSA-N 2 1 290.451 3.610 20 0 CHADMP COc1ccccc1[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000019913030 1120549000 /nfs/dbraw/zinc/54/90/00/1120549000.db2.gz KEUDPXLVXBQUNX-HOTGVXAUSA-N 2 1 290.451 3.610 20 0 CHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cccc(F)c1 ZINC000019913171 1120549441 /nfs/dbraw/zinc/54/94/41/1120549441.db2.gz NNXBPODNPURKBV-GJZGRUSLSA-N 2 1 278.415 3.741 20 0 CHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccc(F)c1 ZINC000019913171 1120549443 /nfs/dbraw/zinc/54/94/43/1120549443.db2.gz NNXBPODNPURKBV-GJZGRUSLSA-N 2 1 278.415 3.741 20 0 CHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000019913129 1120549538 /nfs/dbraw/zinc/54/95/38/1120549538.db2.gz BZPFLHSIXPHXQS-KBPBESRZSA-N 2 1 296.405 3.880 20 0 CHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000019913129 1120549542 /nfs/dbraw/zinc/54/95/42/1120549542.db2.gz BZPFLHSIXPHXQS-KBPBESRZSA-N 2 1 296.405 3.880 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000499910639 1120550396 /nfs/dbraw/zinc/55/03/96/1120550396.db2.gz CPQJXMAXHUXWTR-KRWDZBQOSA-N 2 1 278.415 3.695 20 0 CHADMP CC[C@H]1CCC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)CC1 ZINC000226334600 1120602137 /nfs/dbraw/zinc/60/21/37/1120602137.db2.gz ZQDCZGQTJCTVIL-HOTGVXAUSA-N 2 1 254.462 3.665 20 0 CHADMP CC[C@H](N[C@H]1CC[N@@H+](CC2CC2)C1)c1cccc(Cl)c1 ZINC000673627251 1120625709 /nfs/dbraw/zinc/62/57/09/1120625709.db2.gz KBJIMDJDTZSSOE-IRXDYDNUSA-N 2 1 292.854 3.865 20 0 CHADMP Cc1oc2ccccc2c1[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000925703757 1120642705 /nfs/dbraw/zinc/64/27/05/1120642705.db2.gz FMIJLHZUVFLSFC-ZDUSSCGKSA-N 2 1 284.403 3.654 20 0 CHADMP C[C@@H]([NH3+])[C@H]([NH2+]C1CCC2(CC2(F)F)CC1)c1ccccc1 ZINC000925710529 1120655999 /nfs/dbraw/zinc/65/59/99/1120655999.db2.gz XIGZQTGCOMGNCO-SMOPSLFNSA-N 2 1 294.389 3.633 20 0 CHADMP C[N@H+]1CCC[C@@]2(CC[NH+](CC[C@@H]3CCc4ccccc43)C2)C1 ZINC000660642725 1120673208 /nfs/dbraw/zinc/67/32/08/1120673208.db2.gz UXVOEVUHUJVEBF-AZUAARDMSA-N 2 1 298.474 3.524 20 0 CHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C=CCCC1 ZINC000092821487 1128932907 /nfs/dbraw/zinc/93/29/07/1128932907.db2.gz GSJHVNKOOSCIMG-GOSISDBHSA-N 2 1 299.462 3.729 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000511875835 1120687049 /nfs/dbraw/zinc/68/70/49/1120687049.db2.gz UXIVNDYMBUFOMU-WCIQWLHISA-N 2 1 298.474 3.739 20 0 CHADMP CC[N@H+](CCC[NH2+]Cc1scnc1C)C1CCCCC1 ZINC000651909979 1120775753 /nfs/dbraw/zinc/77/57/53/1120775753.db2.gz CCQUYBBIUUPXDY-UHFFFAOYSA-N 2 1 295.496 3.586 20 0 CHADMP CC[N@@H+](CCC[NH2+]Cc1scnc1C)C1CCCCC1 ZINC000651909979 1120775756 /nfs/dbraw/zinc/77/57/56/1120775756.db2.gz CCQUYBBIUUPXDY-UHFFFAOYSA-N 2 1 295.496 3.586 20 0 CHADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150758588 1120777124 /nfs/dbraw/zinc/77/71/24/1120777124.db2.gz UWNPGIRYSBHHRT-SJLPKXTDSA-N 2 1 272.436 3.555 20 0 CHADMP Cc1ccc(CN[C@@H](C)c2ccc(-n3ccnc3)cc2)o1 ZINC000048436404 1120820482 /nfs/dbraw/zinc/82/04/82/1120820482.db2.gz IMZSXXDZNZFIDD-AWEZNQCLSA-N 2 1 281.359 3.625 20 0 CHADMP CC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2c[nH+]c(C)n2C)cc1 ZINC000630053005 1128945847 /nfs/dbraw/zinc/94/58/47/1128945847.db2.gz ZNSUEYQGEPWEMJ-QGZVFWFLSA-N 2 1 283.419 3.770 20 0 CHADMP CC[C@@H]1CCC[N@H+]1Cc1ccc(-c2c[nH+]c(C)n2C)cc1 ZINC000630053005 1128945850 /nfs/dbraw/zinc/94/58/50/1128945850.db2.gz ZNSUEYQGEPWEMJ-QGZVFWFLSA-N 2 1 283.419 3.770 20 0 CHADMP C[C@@H](C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000247249060 1120875786 /nfs/dbraw/zinc/87/57/86/1120875786.db2.gz ZQSCIXLAENBPKK-PKOBYXMFSA-N 2 1 286.463 3.740 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252697730 1120884994 /nfs/dbraw/zinc/88/49/94/1120884994.db2.gz JAWTZEWGZPQESA-RBSFLKMASA-N 2 1 268.404 3.570 20 0 CHADMP CC1CC([NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000467731293 1120895662 /nfs/dbraw/zinc/89/56/62/1120895662.db2.gz AZOXYUBSIBWDNQ-YDXUJSMASA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(C(C)(C)C)c2)C1 ZINC000662244492 1120910700 /nfs/dbraw/zinc/91/07/00/1120910700.db2.gz HKODRFHRVGZZLB-ZBFHGGJFSA-N 2 1 274.452 3.543 20 0 CHADMP C[C@H](C[N@@H+](C)Cc1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000662255844 1120912536 /nfs/dbraw/zinc/91/25/36/1120912536.db2.gz FENDGHNCOWNKAW-MRXNPFEDSA-N 2 1 294.442 3.568 20 0 CHADMP C[N@@H+](C[C@@H]1CC[C@@H](c2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662264721 1120913855 /nfs/dbraw/zinc/91/38/55/1120913855.db2.gz JLGDFRVCLTUNMP-MZSJESITSA-N 2 1 298.474 3.785 20 0 CHADMP c1ccc([C@@H]2CC[C@@H](C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)C2)cc1 ZINC000662274734 1120916900 /nfs/dbraw/zinc/91/69/00/1120916900.db2.gz WJNLUAMILQMVPE-AFYVEPGGSA-N 2 1 298.474 3.502 20 0 CHADMP C[C@@H](c1ccccc1F)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295072 1120921071 /nfs/dbraw/zinc/92/10/71/1120921071.db2.gz DVZSYYILRCWTDN-GOEBONIOSA-N 2 1 290.426 3.598 20 0 CHADMP Cc1cccc(CC[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c1 ZINC000221918159 1120937768 /nfs/dbraw/zinc/93/77/68/1120937768.db2.gz KELFIALNRTYVBW-KRWDZBQOSA-N 2 1 276.468 3.636 20 0 CHADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(C)s1 ZINC000663346557 1120941371 /nfs/dbraw/zinc/94/13/71/1120941371.db2.gz URLHMJJNLNVNDA-INIZCTEOSA-N 2 1 292.492 3.577 20 0 CHADMP Clc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347795 1120942986 /nfs/dbraw/zinc/94/29/86/1120942986.db2.gz VUGOFVVPRLLTTA-MRXNPFEDSA-N 2 1 292.854 3.552 20 0 CHADMP CCC[C@H](C)CCC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC001167804433 1120960258 /nfs/dbraw/zinc/96/02/58/1120960258.db2.gz ORMWWYXCSQHONX-LSDHHAIUSA-N 2 1 263.429 3.806 20 0 CHADMP CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C1CCC1 ZINC000663466204 1120980894 /nfs/dbraw/zinc/98/08/94/1120980894.db2.gz PKIPYTHMCCEQGS-AEFFLSMTSA-N 2 1 278.484 3.667 20 0 CHADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467858 1120982232 /nfs/dbraw/zinc/98/22/32/1120982232.db2.gz IIMJNEXYMLJVTI-AEFFLSMTSA-N 2 1 278.484 3.833 20 0 CHADMP CC(C)CC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663470218 1120984594 /nfs/dbraw/zinc/98/45/94/1120984594.db2.gz SZGHQTXZRGXBKV-RDJZCZTQSA-N 2 1 266.473 3.523 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469596 1120984912 /nfs/dbraw/zinc/98/49/12/1120984912.db2.gz QWWQMVKWKKGAAA-FGTMMUONSA-N 2 1 278.484 3.523 20 0 CHADMP CC(C)c1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925777854 1120986548 /nfs/dbraw/zinc/98/65/48/1120986548.db2.gz HOFQEBWWDJNZIO-CZUORRHYSA-N 2 1 296.405 3.705 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](C)[C@H]1C ZINC001167823987 1120995514 /nfs/dbraw/zinc/99/55/14/1120995514.db2.gz APMXQUXPFWKAJN-HRCADAONSA-N 2 1 254.462 3.617 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1cccc(OC)c1 ZINC001167826288 1121000937 /nfs/dbraw/zinc/00/09/37/1121000937.db2.gz OKVJCHRIMJMWMB-MRXNPFEDSA-N 2 1 292.467 3.638 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1Cc2ccc(F)cc2C1 ZINC001167828149 1121006489 /nfs/dbraw/zinc/00/64/89/1121006489.db2.gz ZYWIVUBBOJMPEI-CQSZACIVSA-N 2 1 278.415 3.652 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCOC2(CCCCC2)C1 ZINC001167837226 1121039886 /nfs/dbraw/zinc/03/98/86/1121039886.db2.gz JSHBLDRHTMXMTH-QGZVFWFLSA-N 2 1 296.499 3.532 20 0 CHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512184092 1121149490 /nfs/dbraw/zinc/14/94/90/1121149490.db2.gz WLSAUIWAPQOMTJ-LJQANCHMSA-N 2 1 286.463 3.631 20 0 CHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@H]1CCCc2ccccc21 ZINC000674771508 1121178657 /nfs/dbraw/zinc/17/86/57/1121178657.db2.gz OBVJDOMEUXUQBK-HKUYNNGSSA-N 2 1 286.463 3.870 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CCCc2ccccc21 ZINC000674771508 1121178660 /nfs/dbraw/zinc/17/86/60/1121178660.db2.gz OBVJDOMEUXUQBK-HKUYNNGSSA-N 2 1 286.463 3.870 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@H]1CCCc2ccccc21 ZINC000674771508 1121178664 /nfs/dbraw/zinc/17/86/64/1121178664.db2.gz OBVJDOMEUXUQBK-HKUYNNGSSA-N 2 1 286.463 3.870 20 0 CHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000512212044 1121201879 /nfs/dbraw/zinc/20/18/79/1121201879.db2.gz MBPKUVHLNTXHMX-IEBWSBKVSA-N 2 1 286.463 3.773 20 0 CHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000512212044 1121201885 /nfs/dbraw/zinc/20/18/85/1121201885.db2.gz MBPKUVHLNTXHMX-IEBWSBKVSA-N 2 1 286.463 3.773 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000512212044 1121201895 /nfs/dbraw/zinc/20/18/95/1121201895.db2.gz MBPKUVHLNTXHMX-IEBWSBKVSA-N 2 1 286.463 3.773 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000512212044 1121201904 /nfs/dbraw/zinc/20/19/04/1121201904.db2.gz MBPKUVHLNTXHMX-IEBWSBKVSA-N 2 1 286.463 3.773 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(C)(C)F ZINC000658193748 1121213804 /nfs/dbraw/zinc/21/38/04/1121213804.db2.gz YEUXABOCLFKRDG-NVXWUHKLSA-N 2 1 292.442 3.625 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(-c3ccccc3)o2)C1 ZINC000093769927 1128973635 /nfs/dbraw/zinc/97/36/35/1128973635.db2.gz JPAYUHKWISCVLY-INIZCTEOSA-N 2 1 298.430 3.720 20 0 CHADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000093769927 1128973640 /nfs/dbraw/zinc/97/36/40/1128973640.db2.gz JPAYUHKWISCVLY-INIZCTEOSA-N 2 1 298.430 3.720 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000093769927 1128973644 /nfs/dbraw/zinc/97/36/44/1128973644.db2.gz JPAYUHKWISCVLY-INIZCTEOSA-N 2 1 298.430 3.720 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000093769927 1128973645 /nfs/dbraw/zinc/97/36/45/1128973645.db2.gz JPAYUHKWISCVLY-INIZCTEOSA-N 2 1 298.430 3.720 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000093769927 1128973648 /nfs/dbraw/zinc/97/36/48/1128973648.db2.gz JPAYUHKWISCVLY-INIZCTEOSA-N 2 1 298.430 3.720 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc2ccccc21 ZINC000124368231 1121294426 /nfs/dbraw/zinc/29/44/26/1121294426.db2.gz MWMNGBIIAZCORE-CVEARBPZSA-N 2 1 294.442 3.975 20 0 CHADMP CCCC[C@H](CC)CC[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000437792320 1121295049 /nfs/dbraw/zinc/29/50/49/1121295049.db2.gz LBLZLOWPQGPTKU-ULQDDVLXSA-N 2 1 266.473 3.619 20 0 CHADMP CCCC[C@H](CC)CC[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000437792320 1121295051 /nfs/dbraw/zinc/29/50/51/1121295051.db2.gz LBLZLOWPQGPTKU-ULQDDVLXSA-N 2 1 266.473 3.619 20 0 CHADMP CCCC[C@H](CC)CC[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000437792320 1121295057 /nfs/dbraw/zinc/29/50/57/1121295057.db2.gz LBLZLOWPQGPTKU-ULQDDVLXSA-N 2 1 266.473 3.619 20 0 CHADMP CCCC[C@H](CC)CC[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000437792320 1121295060 /nfs/dbraw/zinc/29/50/60/1121295060.db2.gz LBLZLOWPQGPTKU-ULQDDVLXSA-N 2 1 266.473 3.619 20 0 CHADMP CCCCC[C@@H]1CCCC[N@H+]1CCn1ccnc1C ZINC000662157104 1121331013 /nfs/dbraw/zinc/33/10/13/1121331013.db2.gz TUTFMXOOJMTWTG-MRXNPFEDSA-N 2 1 263.429 3.626 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](C)C2CC2)cc1 ZINC000675778246 1121354073 /nfs/dbraw/zinc/35/40/73/1121354073.db2.gz ANOAIPVECYMNNA-KGLIPLIRSA-N 2 1 283.419 3.877 20 0 CHADMP CCCc1cccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000432793462 1121357367 /nfs/dbraw/zinc/35/73/67/1121357367.db2.gz PBOYYQGZLOYYOR-GOSISDBHSA-N 2 1 274.452 3.555 20 0 CHADMP Fc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc12 ZINC000631039851 1128979853 /nfs/dbraw/zinc/97/98/53/1128979853.db2.gz NBHAUDNOQAZTIK-AWEZNQCLSA-N 2 1 298.405 3.553 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CCC(C)(C)c2ccccc2)[C@H](C)C1 ZINC000675770397 1121358248 /nfs/dbraw/zinc/35/82/48/1121358248.db2.gz FFKMYRFUPKLTQE-AEFFLSMTSA-N 2 1 288.479 3.674 20 0 CHADMP CC[C@@H](Cc1cccs1)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000675816611 1121367090 /nfs/dbraw/zinc/36/70/90/1121367090.db2.gz ITRSAQYVIDPSHD-ZFWWWQNUSA-N 2 1 291.464 3.500 20 0 CHADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC3CCC=CCC3)CC[NH2+]2)cc1 ZINC000925881804 1121369830 /nfs/dbraw/zinc/36/98/30/1121369830.db2.gz UZTIEAQPRZKXNA-OALUTQOASA-N 2 1 284.447 3.816 20 0 CHADMP c1ccc2c(c1)cccc2C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000314763621 1121444660 /nfs/dbraw/zinc/44/46/60/1121444660.db2.gz RDKABHUUHFICEH-QUCCMNQESA-N 2 1 294.442 3.804 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000316865198 1121480330 /nfs/dbraw/zinc/48/03/30/1121480330.db2.gz UFUOMJLIAQIWIT-YJBOKZPZSA-N 2 1 298.430 3.705 20 0 CHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC3(C)CCC3)C2)CC1 ZINC000432941695 1121490038 /nfs/dbraw/zinc/49/00/38/1121490038.db2.gz XJIKOQQZIHRHDB-KRWDZBQOSA-N 2 1 278.484 3.621 20 0 CHADMP CCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512669169 1121519865 /nfs/dbraw/zinc/51/98/65/1121519865.db2.gz YZLWFGIGWQXOHV-GBESFXJTSA-N 2 1 286.463 3.677 20 0 CHADMP COC1(C[C@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)CCC1 ZINC000429380905 1121558057 /nfs/dbraw/zinc/55/80/57/1121558057.db2.gz MOXNNAOGRBKDBN-INIZCTEOSA-N 2 1 296.499 3.578 20 0 CHADMP Cc1cccc([C@H]([NH2+]CCCc2c[nH+]cn2C)C(C)C)c1 ZINC000625984725 1121569580 /nfs/dbraw/zinc/56/95/80/1121569580.db2.gz JLMKOHSFNPVVLE-GOSISDBHSA-N 2 1 285.435 3.648 20 0 CHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C2CC(C)(C)C2)CC1 ZINC000433121994 1121574351 /nfs/dbraw/zinc/57/43/51/1121574351.db2.gz UHBFFOBBPGNAMH-HNNXBMFYSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC12CCCC2 ZINC000429439633 1121583027 /nfs/dbraw/zinc/58/30/27/1121583027.db2.gz ATRXCBNGVQJMNE-QRQLOZEOSA-N 2 1 298.474 3.819 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC12CCCC2 ZINC000429439633 1121583030 /nfs/dbraw/zinc/58/30/30/1121583030.db2.gz ATRXCBNGVQJMNE-QRQLOZEOSA-N 2 1 298.474 3.819 20 0 CHADMP CCC(CC)(CC)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000671753513 1121599227 /nfs/dbraw/zinc/59/92/27/1121599227.db2.gz SRBNTNBPQUBTQS-BZUAXINKSA-N 2 1 266.473 3.665 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCSc2ccccc21 ZINC000019943080 1121600500 /nfs/dbraw/zinc/60/05/00/1121600500.db2.gz YSYCPMJXJZVPIE-OAHLLOKOSA-N 2 1 278.465 3.545 20 0 CHADMP CC1(C)CC([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000433166861 1121603450 /nfs/dbraw/zinc/60/34/50/1121603450.db2.gz HDWIODCGSNMIMW-AWEZNQCLSA-N 2 1 292.492 3.738 20 0 CHADMP CC1(C)CC([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000433166861 1121603454 /nfs/dbraw/zinc/60/34/54/1121603454.db2.gz HDWIODCGSNMIMW-AWEZNQCLSA-N 2 1 292.492 3.738 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]1C ZINC000322326219 1121610051 /nfs/dbraw/zinc/61/00/51/1121610051.db2.gz KMEZDAHZNGNRIB-NEPXVJNWSA-N 2 1 286.463 3.533 20 0 CHADMP [NH3+]CCCCCCC[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000842471477 1121624479 /nfs/dbraw/zinc/62/44/79/1121624479.db2.gz CXCFFYRUHUVCQC-UHFFFAOYSA-N 2 1 278.415 3.699 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(OCC)c2)CC1 ZINC000161616575 1121641986 /nfs/dbraw/zinc/64/19/86/1121641986.db2.gz WLVSJZYVXCJYJJ-HNNXBMFYSA-N 2 1 290.451 3.610 20 0 CHADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCCc2ccc(Cl)cc2)CC1 ZINC001206296419 1121717869 /nfs/dbraw/zinc/71/78/69/1121717869.db2.gz SSJJUUAKSUEYTC-QGZVFWFLSA-N 2 1 294.870 3.724 20 0 CHADMP Cc1ccc([C@H](C)CC[N@H+]2CCCC3(CC[NH2+]CC3)C2)o1 ZINC001204727464 1121738543 /nfs/dbraw/zinc/73/85/43/1121738543.db2.gz ACOVGPMGBYIYNI-OAHLLOKOSA-N 2 1 290.451 3.547 20 0 CHADMP CCCC[C@H](CC)CC[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000535597497 1121744845 /nfs/dbraw/zinc/74/48/45/1121744845.db2.gz HZJFVINHLIIMQA-JKSUJKDBSA-N 2 1 254.462 3.524 20 0 CHADMP CC(C)CC(CC(C)C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001177687500 1121746540 /nfs/dbraw/zinc/74/65/40/1121746540.db2.gz ATIXAUYRISBXLU-HNNXBMFYSA-N 2 1 268.489 3.910 20 0 CHADMP CCCC[C@@H](CC)CC[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000536396496 1121747418 /nfs/dbraw/zinc/74/74/18/1121747418.db2.gz VWDDRTFKIWYKRP-HZPDHXFCSA-N 2 1 266.473 3.667 20 0 CHADMP CCCCCC(C)(C)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001177991243 1121764275 /nfs/dbraw/zinc/76/42/75/1121764275.db2.gz ZNGFXKYDAYKAFN-UHFFFAOYSA-N 2 1 277.456 3.844 20 0 CHADMP Cc1cc(C)c(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c(C)c1 ZINC001178276142 1121776242 /nfs/dbraw/zinc/77/62/42/1121776242.db2.gz BZYBZBZQQCXXAM-KRWDZBQOSA-N 2 1 288.479 3.617 20 0 CHADMP Cc1cc(C)cc([C@H]2CC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000544191489 1121781455 /nfs/dbraw/zinc/78/14/55/1121781455.db2.gz NWFROLCYHIJFRC-PKOBYXMFSA-N 2 1 286.463 3.577 20 0 CHADMP Cc1cc(C)cc([C@H]2CC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)c1 ZINC000544191489 1121781459 /nfs/dbraw/zinc/78/14/59/1121781459.db2.gz NWFROLCYHIJFRC-PKOBYXMFSA-N 2 1 286.463 3.577 20 0 CHADMP Cc1cc(C)cc([C@H]2CC[N@H+](CC[C@H]3CCC[NH+]3C)C2)c1 ZINC000544191489 1121781466 /nfs/dbraw/zinc/78/14/66/1121781466.db2.gz NWFROLCYHIJFRC-PKOBYXMFSA-N 2 1 286.463 3.577 20 0 CHADMP Cc1cc(F)cc(Cl)c1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206338292 1121803958 /nfs/dbraw/zinc/80/39/58/1121803958.db2.gz YYRZJTDXDXOVBF-MRXNPFEDSA-N 2 1 298.833 3.738 20 0 CHADMP CC[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)C1 ZINC001179081757 1121848023 /nfs/dbraw/zinc/84/80/23/1121848023.db2.gz OAQZPTQREDMTSX-CVEARBPZSA-N 2 1 254.462 3.523 20 0 CHADMP CC(C)C1CCC([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC001179259132 1121866505 /nfs/dbraw/zinc/86/65/05/1121866505.db2.gz RJPZVXHJQULHLI-LMDPOFIKSA-N 2 1 292.511 3.913 20 0 CHADMP C=C/C=C\CC[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001179473330 1121882490 /nfs/dbraw/zinc/88/24/90/1121882490.db2.gz YIZDXNJUVDDBEQ-SREVYHEPSA-N 2 1 286.463 3.867 20 0 CHADMP Cc1cccc([C@H]2CCCCC[N@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC000647885995 1121917553 /nfs/dbraw/zinc/91/75/53/1121917553.db2.gz BCPUQGRKNJQZDG-SJLPKXTDSA-N 2 1 272.436 3.522 20 0 CHADMP CC1(C)CCC[C@H](C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC001179873171 1121923074 /nfs/dbraw/zinc/92/30/74/1121923074.db2.gz FANLFAHEOHCCFK-DLBZAZTESA-N 2 1 278.484 3.621 20 0 CHADMP Cc1cc(Cl)cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC001180098343 1121953065 /nfs/dbraw/zinc/95/30/65/1121953065.db2.gz LRRGDLUXSFEHTN-KRWDZBQOSA-N 2 1 294.870 3.955 20 0 CHADMP Cc1cc(Cl)cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC001180098343 1121953053 /nfs/dbraw/zinc/95/30/53/1121953053.db2.gz LRRGDLUXSFEHTN-KRWDZBQOSA-N 2 1 294.870 3.955 20 0 CHADMP Cc1cc(Cl)cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC001180098343 1121953058 /nfs/dbraw/zinc/95/30/58/1121953058.db2.gz LRRGDLUXSFEHTN-KRWDZBQOSA-N 2 1 294.870 3.955 20 0 CHADMP Cc1cc(Cl)cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC001180098343 1121953071 /nfs/dbraw/zinc/95/30/71/1121953071.db2.gz LRRGDLUXSFEHTN-KRWDZBQOSA-N 2 1 294.870 3.955 20 0 CHADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2Oc2ccccc2)C1 ZINC000420291817 1121993282 /nfs/dbraw/zinc/99/32/82/1121993282.db2.gz LBCAAZQXUHTWIA-INIZCTEOSA-N 2 1 296.414 3.520 20 0 CHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2Oc2ccccc2)C1 ZINC000420291817 1121993289 /nfs/dbraw/zinc/99/32/89/1121993289.db2.gz LBCAAZQXUHTWIA-INIZCTEOSA-N 2 1 296.414 3.520 20 0 CHADMP Cc1ccc([C@@H]2CCCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420295200 1121995889 /nfs/dbraw/zinc/99/58/89/1121995889.db2.gz BWIQQNSKLVGAMH-AEFFLSMTSA-N 2 1 272.436 3.522 20 0 CHADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1Cl ZINC000420302915 1121997700 /nfs/dbraw/zinc/99/77/00/1121997700.db2.gz JZSHSGQAWKUYPG-AWEZNQCLSA-N 2 1 280.843 3.552 20 0 CHADMP Fc1cccc(C[N@@H+](CC[C@H]2CC[NH2+]C2)C2CCCC2)c1 ZINC000420301050 1121996898 /nfs/dbraw/zinc/99/68/98/1121996898.db2.gz IIGXSEOWDMZVRB-OAHLLOKOSA-N 2 1 290.426 3.570 20 0 CHADMP CC(C)[C@@H](c1ccccc1)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420299193 1121997433 /nfs/dbraw/zinc/99/74/33/1121997433.db2.gz IFQRJLCWHQGBPR-AEFFLSMTSA-N 2 1 274.452 3.705 20 0 CHADMP CC(C)[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1cccc(Cl)c1 ZINC000420319370 1122000026 /nfs/dbraw/zinc/00/00/26/1122000026.db2.gz PJKGWADPCAKCGH-AWEZNQCLSA-N 2 1 280.843 3.550 20 0 CHADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@@H](C)c1cc2ccccc2o1 ZINC000420323990 1122000167 /nfs/dbraw/zinc/00/01/67/1122000167.db2.gz UWFVYBZRQJKSCL-GJZGRUSLSA-N 2 1 286.419 3.815 20 0 CHADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccccc1Oc1ccccc1 ZINC000420322322 1122000720 /nfs/dbraw/zinc/00/07/20/1122000720.db2.gz SLHQQLQONYABGN-HZPDHXFCSA-N 2 1 296.414 3.648 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420325084 1122001963 /nfs/dbraw/zinc/00/19/63/1122001963.db2.gz HYJIPWGXXQEZOR-SOLBZPMBSA-N 2 1 290.426 3.598 20 0 CHADMP FC(F)c1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420391428 1122003221 /nfs/dbraw/zinc/00/32/21/1122003221.db2.gz IHBGRACPHDSQQM-JKSUJKDBSA-N 2 1 294.389 3.588 20 0 CHADMP CC[C@H](CCc1ccccc1)[NH2+]C[C@@H](C)[NH+](CC)CC ZINC001181409803 1122055071 /nfs/dbraw/zinc/05/50/71/1122055071.db2.gz DVYPZVJFIQIZMH-SJLPKXTDSA-N 2 1 276.468 3.718 20 0 CHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC001181515345 1122063120 /nfs/dbraw/zinc/06/31/20/1122063120.db2.gz SQYVOQGNWZZMEW-GOSISDBHSA-N 2 1 292.511 3.867 20 0 CHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2CCC2)CC1 ZINC000353387746 1122073795 /nfs/dbraw/zinc/07/37/95/1122073795.db2.gz PBFSEHVSKNBLHW-UHFFFAOYSA-N 2 1 286.463 3.819 20 0 CHADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001203263050 1122078094 /nfs/dbraw/zinc/07/80/94/1122078094.db2.gz FIIKEEAWIXTPLZ-UHOSZYNNSA-N 2 1 290.495 3.690 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)C1 ZINC000502413710 1122084003 /nfs/dbraw/zinc/08/40/03/1122084003.db2.gz IDTZMBWMTBSFGY-TVFCKZIOSA-N 2 1 278.484 3.523 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cccc(C3CC3)c2)C1 ZINC000421320346 1122092697 /nfs/dbraw/zinc/09/26/97/1122092697.db2.gz PNXISFWLJRYXBX-QGZVFWFLSA-N 2 1 286.463 3.728 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000421320346 1122092704 /nfs/dbraw/zinc/09/27/04/1122092704.db2.gz PNXISFWLJRYXBX-QGZVFWFLSA-N 2 1 286.463 3.728 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CC3(C2)CCCCC3)C1 ZINC000421322070 1122092916 /nfs/dbraw/zinc/09/29/16/1122092916.db2.gz FODICIGADVRNFH-MRXNPFEDSA-N 2 1 278.484 3.809 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+]CC(C(C)C)C(C)C ZINC001182151581 1122115089 /nfs/dbraw/zinc/11/50/89/1122115089.db2.gz ATDZJEZUNYPFGD-HNNXBMFYSA-N 2 1 256.478 3.625 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]CC(C(C)C)C(C)C ZINC001182151581 1122115090 /nfs/dbraw/zinc/11/50/90/1122115090.db2.gz ATDZJEZUNYPFGD-HNNXBMFYSA-N 2 1 256.478 3.625 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1Cc1ccccc1 ZINC000502694569 1122137666 /nfs/dbraw/zinc/13/76/66/1122137666.db2.gz RGTZFVJCTDSCBU-OALUTQOASA-N 2 1 286.463 3.568 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000502694569 1122137668 /nfs/dbraw/zinc/13/76/68/1122137668.db2.gz RGTZFVJCTDSCBU-OALUTQOASA-N 2 1 286.463 3.568 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000502694569 1122137671 /nfs/dbraw/zinc/13/76/71/1122137671.db2.gz RGTZFVJCTDSCBU-OALUTQOASA-N 2 1 286.463 3.568 20 0 CHADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)[C@@H]1c1cccc(F)c1 ZINC000502913370 1122155224 /nfs/dbraw/zinc/15/52/24/1122155224.db2.gz IKIWQJAACRIKJY-OLMNPRSZSA-N 2 1 290.426 3.693 20 0 CHADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)[C@@H]1c1cccc(F)c1 ZINC000502913370 1122155228 /nfs/dbraw/zinc/15/52/28/1122155228.db2.gz IKIWQJAACRIKJY-OLMNPRSZSA-N 2 1 290.426 3.693 20 0 CHADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)[C@@H]1c1cccc(F)c1 ZINC000502913370 1122155231 /nfs/dbraw/zinc/15/52/31/1122155231.db2.gz IKIWQJAACRIKJY-OLMNPRSZSA-N 2 1 290.426 3.693 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)[C@H](C)C1 ZINC000503014888 1122162465 /nfs/dbraw/zinc/16/24/65/1122162465.db2.gz IFQMAVKRGIRNGF-GDBMZVCRSA-N 2 1 266.473 3.523 20 0 CHADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(Cl)s1 ZINC000271888289 1122181557 /nfs/dbraw/zinc/18/15/57/1122181557.db2.gz RFLVYGVABHBCKY-LBPRGKRZSA-N 2 1 284.856 3.704 20 0 CHADMP CC[C@H]([NH2+]CCC[N@@H+](CC)C1CCCCC1)C1CC1 ZINC001182743733 1122186921 /nfs/dbraw/zinc/18/69/21/1122186921.db2.gz RPHWUGYBUUXHGU-KRWDZBQOSA-N 2 1 266.473 3.809 20 0 CHADMP CC[C@@H]([NH2+]CCC[N@@H+](CC)C1CCCCC1)C1CC1 ZINC001182743734 1122187483 /nfs/dbraw/zinc/18/74/83/1122187483.db2.gz RPHWUGYBUUXHGU-QGZVFWFLSA-N 2 1 266.473 3.809 20 0 CHADMP CC1=CC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC001183379225 1122222519 /nfs/dbraw/zinc/22/25/19/1122222519.db2.gz KGUBIZBKWUXRFH-FUHWJXTLSA-N 2 1 276.468 3.872 20 0 CHADMP CC1=CC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC001183379225 1122222524 /nfs/dbraw/zinc/22/25/24/1122222524.db2.gz KGUBIZBKWUXRFH-FUHWJXTLSA-N 2 1 276.468 3.872 20 0 CHADMP CC(C)(C)Oc1ccccc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205289403 1122252725 /nfs/dbraw/zinc/25/27/25/1122252725.db2.gz XVYRNZKMQRBHAM-GOSISDBHSA-N 2 1 290.451 3.567 20 0 CHADMP CC(C)c1ccc(CC[N@@H+](C)CC(C)(C)C[NH+](C)C)cc1 ZINC001184198499 1122260364 /nfs/dbraw/zinc/26/03/64/1122260364.db2.gz YIMNFWYVJXJPLH-UHFFFAOYSA-N 2 1 290.495 3.872 20 0 CHADMP CC[C@@H]1CCC[C@H](C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)C1 ZINC001184290334 1122269852 /nfs/dbraw/zinc/26/98/52/1122269852.db2.gz KBMGAPOEVADUEK-HVMFNXBNSA-N 2 1 292.511 3.865 20 0 CHADMP CC1(C)CC[N@@H+](Cc2ccc(C3CC3)cc2)CC(C)(C)[NH2+]1 ZINC001184375689 1122273662 /nfs/dbraw/zinc/27/36/62/1122273662.db2.gz WLIHRWFMPHRVAO-UHFFFAOYSA-N 2 1 286.463 3.917 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205296216 1122274352 /nfs/dbraw/zinc/27/43/52/1122274352.db2.gz JGMBHJSSQWDJAZ-BBWFWOEESA-N 2 1 266.473 3.676 20 0 CHADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC001205324702 1122322401 /nfs/dbraw/zinc/32/24/01/1122322401.db2.gz FLDZQXIBVPCMNZ-MRXNPFEDSA-N 2 1 280.415 3.537 20 0 CHADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC001205324702 1122322403 /nfs/dbraw/zinc/32/24/03/1122322403.db2.gz FLDZQXIBVPCMNZ-MRXNPFEDSA-N 2 1 280.415 3.537 20 0 CHADMP CCC[C@@H](C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000430118188 1122407775 /nfs/dbraw/zinc/40/77/75/1122407775.db2.gz GGAOMSQERCTBPJ-RBUKOAKNSA-N 2 1 286.463 3.598 20 0 CHADMP CCC[C@@H](C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000430118188 1122407777 /nfs/dbraw/zinc/40/77/77/1122407777.db2.gz GGAOMSQERCTBPJ-RBUKOAKNSA-N 2 1 286.463 3.598 20 0 CHADMP CC(C)c1ccc(CC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000435380261 1122462961 /nfs/dbraw/zinc/46/29/61/1122462961.db2.gz QOCKDXUKXHBSIL-DFNIBXOVSA-N 2 1 286.463 3.567 20 0 CHADMP CCC1CCC([N@H+](CCCc2c[nH+]cn2C)C2CC2)CC1 ZINC000515307897 1122490458 /nfs/dbraw/zinc/49/04/58/1122490458.db2.gz AWFWFESYMOLYQO-UHFFFAOYSA-N 2 1 289.467 3.786 20 0 CHADMP CCC1CCC([N@@H+](CCCc2c[nH+]cn2C)C2CC2)CC1 ZINC000515307897 1122490462 /nfs/dbraw/zinc/49/04/62/1122490462.db2.gz AWFWFESYMOLYQO-UHFFFAOYSA-N 2 1 289.467 3.786 20 0 CHADMP Cc1ccccc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001203709607 1122517785 /nfs/dbraw/zinc/51/77/85/1122517785.db2.gz KLUBMZMKRVGUEL-OALUTQOASA-N 2 1 286.463 3.834 20 0 CHADMP Cc1ccccc1C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001203709607 1122517787 /nfs/dbraw/zinc/51/77/87/1122517787.db2.gz KLUBMZMKRVGUEL-OALUTQOASA-N 2 1 286.463 3.834 20 0 CHADMP Cc1ccccc1C[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001203709607 1122517790 /nfs/dbraw/zinc/51/77/90/1122517790.db2.gz KLUBMZMKRVGUEL-OALUTQOASA-N 2 1 286.463 3.834 20 0 CHADMP Cc1oc2ccccc2c1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000925009405 1122562947 /nfs/dbraw/zinc/56/29/47/1122562947.db2.gz HGOJCAPVDYQGDY-HIFRSBDPSA-N 2 1 286.419 3.734 20 0 CHADMP CC[N@@H+](Cc1ccccc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000505863677 1122571683 /nfs/dbraw/zinc/57/16/83/1122571683.db2.gz FSPICDHCGMWGQT-UHFFFAOYSA-N 2 1 282.431 3.770 20 0 CHADMP CCC[C@H]1[C@H](C)CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC001191789051 1122615268 /nfs/dbraw/zinc/61/52/68/1122615268.db2.gz FLMVAYIRKPXGMT-SJORKVTESA-N 2 1 266.473 3.763 20 0 CHADMP C[C@@H]1CC[N@@H+](CCCC2CCCCC2)CC[C@@H]1C[NH3+] ZINC001205602789 1122650904 /nfs/dbraw/zinc/65/09/04/1122650904.db2.gz MKQPDGVCIRMJDS-NVXWUHKLSA-N 2 1 266.473 3.654 20 0 CHADMP CCCCc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)s1 ZINC001205617490 1122667937 /nfs/dbraw/zinc/66/79/37/1122667937.db2.gz KIXNFNFFRUBWSO-GJZGRUSLSA-N 2 1 294.508 3.898 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+]CCC(C)(C)C)CC1 ZINC000438088848 1122674951 /nfs/dbraw/zinc/67/49/51/1122674951.db2.gz MBLOUIPEVJPCQL-UHFFFAOYSA-N 2 1 288.479 3.985 20 0 CHADMP C[C@H](C[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1)C[NH+](C)C ZINC000425947209 1122675883 /nfs/dbraw/zinc/67/58/83/1122675883.db2.gz RQTWKKWQFBPTSW-GHMZBOCLSA-N 2 1 289.250 3.842 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000438117910 1122676757 /nfs/dbraw/zinc/67/67/57/1122676757.db2.gz WRMGHAZDEPGNCI-HOTGVXAUSA-N 2 1 292.442 3.593 20 0 CHADMP c1ccc([C@@H]2CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)C2)cc1 ZINC000438085298 1122677301 /nfs/dbraw/zinc/67/73/01/1122677301.db2.gz AZOMCWKIPSBHLS-XWSJACJDSA-N 2 1 284.447 3.539 20 0 CHADMP c1ccc([C@@H]2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)C2)cc1 ZINC000438085298 1122677303 /nfs/dbraw/zinc/67/73/03/1122677303.db2.gz AZOMCWKIPSBHLS-XWSJACJDSA-N 2 1 284.447 3.539 20 0 CHADMP C[C@H](C[N@@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccc(F)cc1 ZINC000438132664 1122681734 /nfs/dbraw/zinc/68/17/34/1122681734.db2.gz ZNWKRCFKEQRDOQ-CRAIPNDOSA-N 2 1 292.442 3.735 20 0 CHADMP C[C@H](C[NH+](C)CC[C@H]1CCCC[N@@H+]1C)c1ccc(F)cc1 ZINC000438132664 1122681738 /nfs/dbraw/zinc/68/17/38/1122681738.db2.gz ZNWKRCFKEQRDOQ-CRAIPNDOSA-N 2 1 292.442 3.735 20 0 CHADMP C[C@H](C[NH+](C)CC[C@H]1CCCC[N@H+]1C)c1ccc(F)cc1 ZINC000438132664 1122681739 /nfs/dbraw/zinc/68/17/39/1122681739.db2.gz ZNWKRCFKEQRDOQ-CRAIPNDOSA-N 2 1 292.442 3.735 20 0 CHADMP CC(C)Cc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1 ZINC001205638933 1122707867 /nfs/dbraw/zinc/70/78/67/1122707867.db2.gz TURGWBMYIIAPPY-LPHOPBHVSA-N 2 1 288.479 3.692 20 0 CHADMP C(CC1CCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167963912 1122761768 /nfs/dbraw/zinc/76/17/68/1122761768.db2.gz HZUBKPFUWFQTBB-AYHJJNSGSA-N 2 1 276.468 3.562 20 0 CHADMP CC[NH+]1CCC([N@H+](C)CC2CCC(C)(C)CC2)CC1 ZINC000506675510 1122803795 /nfs/dbraw/zinc/80/37/95/1122803795.db2.gz OXKIKYKQJKOKOX-UHFFFAOYSA-N 2 1 266.473 3.619 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)CC2CCC(C)(C)CC2)CC1 ZINC000506675510 1122803797 /nfs/dbraw/zinc/80/37/97/1122803797.db2.gz OXKIKYKQJKOKOX-UHFFFAOYSA-N 2 1 266.473 3.619 20 0 CHADMP CCCCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167965360 1122811112 /nfs/dbraw/zinc/81/11/12/1122811112.db2.gz CBDDLQITTKSTPD-MIGBEJBISA-N 2 1 278.484 3.950 20 0 CHADMP CSc1ccccc1C[C@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000519038114 1122811287 /nfs/dbraw/zinc/81/12/87/1122811287.db2.gz WBQFHDBWJWCUML-LSDHHAIUSA-N 2 1 294.508 3.658 20 0 CHADMP CSc1ccccc1C[C@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000519038114 1122811294 /nfs/dbraw/zinc/81/12/94/1122811294.db2.gz WBQFHDBWJWCUML-LSDHHAIUSA-N 2 1 294.508 3.658 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[Si](C)(C)C)cc1 ZINC000775619983 1122819697 /nfs/dbraw/zinc/81/96/97/1122819697.db2.gz URXNERSGGSLZTA-ZDUSSCGKSA-N 2 1 287.483 3.709 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](CC)C[C@@H]1C[C@H]1c1ccccc1 ZINC001205684390 1122837756 /nfs/dbraw/zinc/83/77/56/1122837756.db2.gz GTKXAVLJCWNNQW-OALUTQOASA-N 2 1 288.479 3.844 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2ccccc2C)C[C@@H]1C ZINC000440328898 1122838186 /nfs/dbraw/zinc/83/81/86/1122838186.db2.gz UGRCBOCUTJDIBR-HKUYNNGSSA-N 2 1 288.479 3.732 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2ccccc2C)C[C@@H]1C ZINC000440328898 1122838195 /nfs/dbraw/zinc/83/81/95/1122838195.db2.gz UGRCBOCUTJDIBR-HKUYNNGSSA-N 2 1 288.479 3.732 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2ccccc2C)C[C@@H]1C ZINC000440328898 1122838201 /nfs/dbraw/zinc/83/82/01/1122838201.db2.gz UGRCBOCUTJDIBR-HKUYNNGSSA-N 2 1 288.479 3.732 20 0 CHADMP CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccn1 ZINC001167968638 1122850238 /nfs/dbraw/zinc/85/02/38/1122850238.db2.gz URHVMUJLMABSND-HQSKLWIPSA-N 2 1 299.462 3.528 20 0 CHADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccccn1 ZINC001167968638 1122850244 /nfs/dbraw/zinc/85/02/44/1122850244.db2.gz URHVMUJLMABSND-HQSKLWIPSA-N 2 1 299.462 3.528 20 0 CHADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccn1 ZINC001167968638 1122850249 /nfs/dbraw/zinc/85/02/49/1122850249.db2.gz URHVMUJLMABSND-HQSKLWIPSA-N 2 1 299.462 3.528 20 0 CHADMP CCCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167979048 1122895292 /nfs/dbraw/zinc/89/52/92/1122895292.db2.gz UBEJNGXYESMEJL-HZTRTUMWSA-N 2 1 264.457 3.560 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205764537 1122913562 /nfs/dbraw/zinc/91/35/62/1122913562.db2.gz WZSGQOUMJCSZAN-ABCZVMIZSA-N 2 1 288.426 3.819 20 0 CHADMP C[N@@H+](CCCCC(F)(F)F)CC[C@@H]1CCCC[NH+]1C ZINC000154405991 1129087390 /nfs/dbraw/zinc/08/73/90/1129087390.db2.gz LZZSKIWNBCNJGX-ZDUSSCGKSA-N 2 1 280.378 3.525 20 0 CHADMP C[NH+](CCCCC(F)(F)F)CC[C@@H]1CCCC[N@@H+]1C ZINC000154405991 1129087392 /nfs/dbraw/zinc/08/73/92/1129087392.db2.gz LZZSKIWNBCNJGX-ZDUSSCGKSA-N 2 1 280.378 3.525 20 0 CHADMP C[NH+](CCCCC(F)(F)F)CC[C@@H]1CCCC[N@H+]1C ZINC000154405991 1129087393 /nfs/dbraw/zinc/08/73/93/1129087393.db2.gz LZZSKIWNBCNJGX-ZDUSSCGKSA-N 2 1 280.378 3.525 20 0 CHADMP C[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167985026 1122939079 /nfs/dbraw/zinc/93/90/79/1122939079.db2.gz SHRFWZKYOXRLTK-QTXGHNMQSA-N 2 1 276.468 3.514 20 0 CHADMP C[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167985026 1122939081 /nfs/dbraw/zinc/93/90/81/1122939081.db2.gz SHRFWZKYOXRLTK-QTXGHNMQSA-N 2 1 276.468 3.514 20 0 CHADMP C[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167985026 1122939085 /nfs/dbraw/zinc/93/90/85/1122939085.db2.gz SHRFWZKYOXRLTK-QTXGHNMQSA-N 2 1 276.468 3.514 20 0 CHADMP CC(C)C[C@@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001197284305 1122951964 /nfs/dbraw/zinc/95/19/64/1122951964.db2.gz HKUHGXUNTULZEV-MRXNPFEDSA-N 2 1 254.462 3.619 20 0 CHADMP CC(C)C[C@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001197284304 1122952338 /nfs/dbraw/zinc/95/23/38/1122952338.db2.gz HKUHGXUNTULZEV-INIZCTEOSA-N 2 1 254.462 3.619 20 0 CHADMP Clc1ccc(C2([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000334277152 1122980616 /nfs/dbraw/zinc/98/06/16/1122980616.db2.gz DETKWIGIVSCKFP-HZPDHXFCSA-N 2 1 290.838 3.546 20 0 CHADMP Clc1ccc(C2([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000334277152 1122980620 /nfs/dbraw/zinc/98/06/20/1122980620.db2.gz DETKWIGIVSCKFP-HZPDHXFCSA-N 2 1 290.838 3.546 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001203314965 1122983892 /nfs/dbraw/zinc/98/38/92/1122983892.db2.gz XKGLSCIJINDFRP-ROUUACIJSA-N 2 1 272.436 3.525 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001203314965 1122983893 /nfs/dbraw/zinc/98/38/93/1122983893.db2.gz XKGLSCIJINDFRP-ROUUACIJSA-N 2 1 272.436 3.525 20 0 CHADMP Cc1cc2cc(C[NH2+]CC(C)(C)C[NH+](C)C)oc2cc1C ZINC001198952557 1123016923 /nfs/dbraw/zinc/01/69/23/1123016923.db2.gz JMPDHBNCOYWXKM-UHFFFAOYSA-N 2 1 288.435 3.727 20 0 CHADMP Cc1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c(F)c1 ZINC001199336493 1123027865 /nfs/dbraw/zinc/02/78/65/1123027865.db2.gz PQAIEXXMUKOEQY-INIZCTEOSA-N 2 1 292.442 3.878 20 0 CHADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]CC2CCCCC2)C1 ZINC001199732270 1123037552 /nfs/dbraw/zinc/03/75/52/1123037552.db2.gz GSAWQAKLHIOOOU-OAHLLOKOSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]CC2CCCCC2)C1 ZINC001199732270 1123037557 /nfs/dbraw/zinc/03/75/57/1123037557.db2.gz GSAWQAKLHIOOOU-OAHLLOKOSA-N 2 1 266.473 3.667 20 0 CHADMP CCC1CCC([NH2+][C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001199709412 1123037809 /nfs/dbraw/zinc/03/78/09/1123037809.db2.gz YGHVUPHATFCDHY-XNIRIUNOSA-N 2 1 266.473 3.665 20 0 CHADMP CCC1CCC([NH2+][C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001199709412 1123037814 /nfs/dbraw/zinc/03/78/14/1123037814.db2.gz YGHVUPHATFCDHY-XNIRIUNOSA-N 2 1 266.473 3.665 20 0 CHADMP C[N@H+](CC[NH2+]CC1CCCCCC1)C1CCCCC1 ZINC001199811453 1123041344 /nfs/dbraw/zinc/04/13/44/1123041344.db2.gz BYMCIDLSCXSYSM-UHFFFAOYSA-N 2 1 266.473 3.811 20 0 CHADMP C[N@@H+](CC[NH2+]CC1CCCCCC1)C1CCCCC1 ZINC001199811453 1123041349 /nfs/dbraw/zinc/04/13/49/1123041349.db2.gz BYMCIDLSCXSYSM-UHFFFAOYSA-N 2 1 266.473 3.811 20 0 CHADMP CC(C)[NH+](CCC[NH2+]Cc1nccc2ccccc21)C(C)C ZINC001200923136 1123064409 /nfs/dbraw/zinc/06/44/09/1123064409.db2.gz QJLGOQBIFNMORS-UHFFFAOYSA-N 2 1 299.462 3.833 20 0 CHADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001205912782 1123075495 /nfs/dbraw/zinc/07/54/95/1123075495.db2.gz CFTJHIMOPZXRKY-ZBFHGGJFSA-N 2 1 274.452 3.543 20 0 CHADMP Cc1cccc([C@@H](C)[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000441325608 1123078730 /nfs/dbraw/zinc/07/87/30/1123078730.db2.gz CKUIYYACSZAIDR-SJLPKXTDSA-N 2 1 274.452 3.862 20 0 CHADMP Cc1cccc([C@@H](C)[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000441325608 1123078736 /nfs/dbraw/zinc/07/87/36/1123078736.db2.gz CKUIYYACSZAIDR-SJLPKXTDSA-N 2 1 274.452 3.862 20 0 CHADMP Cc1cccc([C@@H](C)[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000441325608 1123078742 /nfs/dbraw/zinc/07/87/42/1123078742.db2.gz CKUIYYACSZAIDR-SJLPKXTDSA-N 2 1 274.452 3.862 20 0 CHADMP Cc1c(C)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)ccc1Cl ZINC001205915256 1123085427 /nfs/dbraw/zinc/08/54/27/1123085427.db2.gz OYJWFACVWNSUNK-ZIAGYGMSSA-N 2 1 280.843 3.516 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc2ccccc2s1 ZINC000126524375 1123088510 /nfs/dbraw/zinc/08/85/10/1123088510.db2.gz JBYFRTREYTVIAU-KGLIPLIRSA-N 2 1 288.460 3.894 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc2ccccc2s1 ZINC000126524375 1123088515 /nfs/dbraw/zinc/08/85/15/1123088515.db2.gz JBYFRTREYTVIAU-KGLIPLIRSA-N 2 1 288.460 3.894 20 0 CHADMP Cc1c[nH+]c(Nc2cccc(C[NH+](C)C)c2)c(C)c1 ZINC001201393090 1123096250 /nfs/dbraw/zinc/09/62/50/1123096250.db2.gz UZZWIQROAZTKKL-UHFFFAOYSA-N 2 1 255.365 3.504 20 0 CHADMP CCCCCC[C@@H]1CCC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000776166721 1123098772 /nfs/dbraw/zinc/09/87/72/1123098772.db2.gz CZLNFJOPKOHTDS-QZTJIDSGSA-N 2 1 278.484 3.977 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001201496904 1123110518 /nfs/dbraw/zinc/11/05/18/1123110518.db2.gz SARSJDHGJBXCKK-KRWDZBQOSA-N 2 1 278.484 3.787 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)CC(CC)CC)CC1 ZINC001201534720 1123115458 /nfs/dbraw/zinc/11/54/58/1123115458.db2.gz PGSJGVJOANTYOF-UHFFFAOYSA-N 2 1 254.462 3.619 20 0 CHADMP C[NH+](C)CCC[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000536302853 1123119846 /nfs/dbraw/zinc/11/98/46/1123119846.db2.gz SGEIFHVGWHYDML-AWEZNQCLSA-N 2 1 287.234 3.522 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000268801602 1129100439 /nfs/dbraw/zinc/10/04/39/1129100439.db2.gz JIWJWTZUQCRSPT-AWEZNQCLSA-N 2 1 271.408 3.666 20 0 CHADMP CCC(C)(C)CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441461597 1123133630 /nfs/dbraw/zinc/13/36/30/1123133630.db2.gz XEPUCKWHVOAGSZ-MRXNPFEDSA-N 2 1 266.473 3.621 20 0 CHADMP CCCCC[NH+]1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001201737132 1123143345 /nfs/dbraw/zinc/14/33/45/1123143345.db2.gz CJZQOGLOGQBFIE-UHFFFAOYSA-N 2 1 292.442 3.912 20 0 CHADMP CCCCC[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001201737132 1123143347 /nfs/dbraw/zinc/14/33/47/1123143347.db2.gz CJZQOGLOGQBFIE-UHFFFAOYSA-N 2 1 292.442 3.912 20 0 CHADMP CC(C)[C@H]1CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168002937 1123173344 /nfs/dbraw/zinc/17/33/44/1123173344.db2.gz FQYMELZDJIWXPV-UJJTZGENSA-N 2 1 276.468 3.512 20 0 CHADMP CC(C)[C@H]1CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168002937 1123173348 /nfs/dbraw/zinc/17/33/48/1123173348.db2.gz FQYMELZDJIWXPV-UJJTZGENSA-N 2 1 276.468 3.512 20 0 CHADMP CC(C)[C@H]1CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168002937 1123173350 /nfs/dbraw/zinc/17/33/50/1123173350.db2.gz FQYMELZDJIWXPV-UJJTZGENSA-N 2 1 276.468 3.512 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2CCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168005755 1123199186 /nfs/dbraw/zinc/19/91/86/1123199186.db2.gz KFTMMJJKAPEMDH-JLVBRIDZSA-N 2 1 272.436 3.570 20 0 CHADMP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC001168006642 1123206160 /nfs/dbraw/zinc/20/61/60/1123206160.db2.gz NVWPBVRUZZFSCJ-RCJHGTSTSA-N 2 1 286.463 3.816 20 0 CHADMP C[C@H]1CC([NH2+]C(C)(C)C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168006980 1123208845 /nfs/dbraw/zinc/20/88/45/1123208845.db2.gz QASFLHOUJDINCG-GJZGRUSLSA-N 2 1 274.452 3.816 20 0 CHADMP c1ccc2c(c1)sc1c2CCC[C@@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277630 1123308537 /nfs/dbraw/zinc/30/85/37/1123308537.db2.gz GXDNXYGVHKPOCJ-KVIBHRHWSA-N 2 1 298.455 3.620 20 0 CHADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(C(F)F)CC1 ZINC000442775881 1123337305 /nfs/dbraw/zinc/33/73/05/1123337305.db2.gz CKYZPKKNDZWQTN-DNDYEEKYSA-N 2 1 288.426 3.520 20 0 CHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(C(F)F)CC1 ZINC000442775881 1123337309 /nfs/dbraw/zinc/33/73/09/1123337309.db2.gz CKYZPKKNDZWQTN-DNDYEEKYSA-N 2 1 288.426 3.520 20 0 CHADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc2ccccc21 ZINC000271857172 1129115472 /nfs/dbraw/zinc/11/54/72/1129115472.db2.gz JQFLNKYJWJEOCT-HNNXBMFYSA-N 2 1 280.415 3.752 20 0 CHADMP C[C@H]([NH2+]CC[N@H+](C)C1CCCC1)C1CCC(F)(F)CC1 ZINC000474038503 1123350433 /nfs/dbraw/zinc/35/04/33/1123350433.db2.gz UUEGOUJDBIIDFH-ZDUSSCGKSA-N 2 1 288.426 3.664 20 0 CHADMP C[C@H]([NH2+]CC[N@@H+](C)C1CCCC1)C1CCC(F)(F)CC1 ZINC000474038503 1123350435 /nfs/dbraw/zinc/35/04/35/1123350435.db2.gz UUEGOUJDBIIDFH-ZDUSSCGKSA-N 2 1 288.426 3.664 20 0 CHADMP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2C)C(C)C)s1 ZINC000428273666 1123364750 /nfs/dbraw/zinc/36/47/50/1123364750.db2.gz OBSLZUKTBKSNJS-UHFFFAOYSA-N 2 1 291.464 3.862 20 0 CHADMP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2C)C(C)C)s1 ZINC000428273666 1123364753 /nfs/dbraw/zinc/36/47/53/1123364753.db2.gz OBSLZUKTBKSNJS-UHFFFAOYSA-N 2 1 291.464 3.862 20 0 CHADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001204762607 1123380370 /nfs/dbraw/zinc/38/03/70/1123380370.db2.gz ABKMZTGHQYHVCO-DNVCBOLYSA-N 2 1 288.479 3.586 20 0 CHADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853239328 1123428779 /nfs/dbraw/zinc/42/87/79/1123428779.db2.gz FMWXQURORSIZPV-YLJYHZDGSA-N 2 1 298.474 3.694 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H](C)CCc2ccccc2)C1 ZINC001648959961 1123439047 /nfs/dbraw/zinc/43/90/47/1123439047.db2.gz HDVINWGIQWAXEL-PKOBYXMFSA-N 2 1 288.479 3.577 20 0 CHADMP C(C1CCCCC1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157148052 1129122340 /nfs/dbraw/zinc/12/23/40/1129122340.db2.gz XXGFMXVNZQPJBF-KRWDZBQOSA-N 2 1 264.457 3.517 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCCSCC(C)C)C[C@H]1C ZINC000443618669 1123447825 /nfs/dbraw/zinc/44/78/25/1123447825.db2.gz DXLDKYHZJISPGH-CVEARBPZSA-N 2 1 286.529 3.570 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCCSCC(C)C)C[C@H]1C ZINC000443618669 1123447827 /nfs/dbraw/zinc/44/78/27/1123447827.db2.gz DXLDKYHZJISPGH-CVEARBPZSA-N 2 1 286.529 3.570 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCSCC(C)C)C[C@H]1C ZINC000443618669 1123447831 /nfs/dbraw/zinc/44/78/31/1123447831.db2.gz DXLDKYHZJISPGH-CVEARBPZSA-N 2 1 286.529 3.570 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@H](CCC(C)C)C2)C1 ZINC001648960816 1123453101 /nfs/dbraw/zinc/45/31/01/1123453101.db2.gz VYJMXBHPDUMEQV-KSZLIROESA-N 2 1 280.500 3.913 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2C(C)=CCC[C@@H]2C)C1 ZINC000443641376 1123456010 /nfs/dbraw/zinc/45/60/10/1123456010.db2.gz PHFTXZKWDVBWQH-BZSNNMDCSA-N 2 1 278.484 3.643 20 0 CHADMP CC(C)[C@@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000474151246 1123471502 /nfs/dbraw/zinc/47/15/02/1123471502.db2.gz DKUAAXURSGKIHD-IEBWSBKVSA-N 2 1 288.479 3.700 20 0 CHADMP CC(C)[C@@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000474151246 1123471503 /nfs/dbraw/zinc/47/15/03/1123471503.db2.gz DKUAAXURSGKIHD-IEBWSBKVSA-N 2 1 288.479 3.700 20 0 CHADMP CC(C)[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(F)cc1F ZINC000634682056 1129125264 /nfs/dbraw/zinc/12/52/64/1129125264.db2.gz GRAJHZAXWPYDKQ-KRWDZBQOSA-N 2 1 294.389 3.513 20 0 CHADMP CCc1cccc(Cl)c1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000474349843 1123511923 /nfs/dbraw/zinc/51/19/23/1123511923.db2.gz XMQJFJPLGIQXQY-GJZGRUSLSA-N 2 1 292.854 3.619 20 0 CHADMP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000895821603 1123518156 /nfs/dbraw/zinc/51/81/56/1123518156.db2.gz FMHVQQCWYUGSOQ-UHFFFAOYSA-N 2 1 297.446 3.618 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](CC(C)C)c2ccccc2)C1 ZINC000474497807 1123541258 /nfs/dbraw/zinc/54/12/58/1123541258.db2.gz ZBSRURNBGHKBOI-PKOBYXMFSA-N 2 1 288.479 3.748 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@H+](C/C=C\c2ccc(Cl)cc2)CC1 ZINC000429533649 1123561252 /nfs/dbraw/zinc/56/12/52/1123561252.db2.gz BVEUSLDNXDNXLI-MAVJXHJTSA-N 2 1 292.854 3.769 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@@H+](C/C=C\c2ccc(Cl)cc2)CC1 ZINC000429533649 1123561255 /nfs/dbraw/zinc/56/12/55/1123561255.db2.gz BVEUSLDNXDNXLI-MAVJXHJTSA-N 2 1 292.854 3.769 20 0 CHADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000474706727 1123574712 /nfs/dbraw/zinc/57/47/12/1123574712.db2.gz HSRRHJFCBNHWDM-HRCADAONSA-N 2 1 292.467 3.507 20 0 CHADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000474706727 1123574718 /nfs/dbraw/zinc/57/47/18/1123574718.db2.gz HSRRHJFCBNHWDM-HRCADAONSA-N 2 1 292.467 3.507 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000474710299 1123574997 /nfs/dbraw/zinc/57/49/97/1123574997.db2.gz IVPZWGCTLWWHRW-KURKYZTESA-N 2 1 280.500 3.911 20 0 CHADMP C[C@@H]([NH2+]C(C1CC1)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274904676 1129133447 /nfs/dbraw/zinc/13/34/47/1129133447.db2.gz LXULRYPXVPQMMM-BEFAXECRSA-N 2 1 298.474 3.675 20 0 CHADMP CC[N@@H+](Cc1cc(-n2ccnc2)cs1)[C@H](C)C(C)C ZINC000346176228 1123669990 /nfs/dbraw/zinc/66/99/90/1123669990.db2.gz NTGZYRRWPHYOBO-CYBMUJFWSA-N 2 1 277.437 3.800 20 0 CHADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000158128205 1129139838 /nfs/dbraw/zinc/13/98/38/1129139838.db2.gz OXJSLSKADDNPOP-TZMCWYRMSA-N 2 1 295.496 3.567 20 0 CHADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000158128205 1129139842 /nfs/dbraw/zinc/13/98/42/1129139842.db2.gz OXJSLSKADDNPOP-TZMCWYRMSA-N 2 1 295.496 3.567 20 0 CHADMP Fc1cccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC000346827097 1123724257 /nfs/dbraw/zinc/72/42/57/1123724257.db2.gz HHXCUYLTKAQOJK-MRXNPFEDSA-N 2 1 290.426 3.570 20 0 CHADMP CSc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000281585667 1123729085 /nfs/dbraw/zinc/72/90/85/1123729085.db2.gz LJMYAGNKCUUPPZ-UMVBOHGHSA-N 2 1 278.465 3.542 20 0 CHADMP CSc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000281585667 1123729086 /nfs/dbraw/zinc/72/90/86/1123729086.db2.gz LJMYAGNKCUUPPZ-UMVBOHGHSA-N 2 1 278.465 3.542 20 0 CHADMP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000346984134 1123739691 /nfs/dbraw/zinc/73/96/91/1123739691.db2.gz OIFIQGZLXMZKBB-KGLIPLIRSA-N 2 1 295.496 3.567 20 0 CHADMP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000346984134 1123739694 /nfs/dbraw/zinc/73/96/94/1123739694.db2.gz OIFIQGZLXMZKBB-KGLIPLIRSA-N 2 1 295.496 3.567 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000336379554 1123766774 /nfs/dbraw/zinc/76/67/74/1123766774.db2.gz RFZVMRBQGLMAPU-HNNXBMFYSA-N 2 1 299.418 3.500 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000336379554 1123766777 /nfs/dbraw/zinc/76/67/77/1123766777.db2.gz RFZVMRBQGLMAPU-HNNXBMFYSA-N 2 1 299.418 3.500 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3C3CC3)C2)cc1 ZINC000475286737 1123834858 /nfs/dbraw/zinc/83/48/58/1123834858.db2.gz LOIDCWXKVBLPSD-YZGWKJHDSA-N 2 1 298.474 3.677 20 0 CHADMP Cc1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c(C)o1 ZINC000119387612 1123858317 /nfs/dbraw/zinc/85/83/17/1123858317.db2.gz UWUFVECXTQJWIF-UHFFFAOYSA-N 2 1 290.451 3.641 20 0 CHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3occc32)C1 ZINC000193035177 1123870940 /nfs/dbraw/zinc/87/09/40/1123870940.db2.gz DIGLUXCLJVHPPB-NVXWUHKLSA-N 2 1 290.451 3.615 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3occc32)C1 ZINC000193035177 1123870943 /nfs/dbraw/zinc/87/09/43/1123870943.db2.gz DIGLUXCLJVHPPB-NVXWUHKLSA-N 2 1 290.451 3.615 20 0 CHADMP CCC[NH+]1CCC(Nc2cc[nH+]c3ccsc32)CC1 ZINC000301379643 1123896498 /nfs/dbraw/zinc/89/64/98/1123896498.db2.gz YCFPBSGLPKXZKP-UHFFFAOYSA-N 2 1 275.421 3.583 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cccc(Cl)c1C ZINC000865475267 1123987267 /nfs/dbraw/zinc/98/72/67/1123987267.db2.gz JEACPCFITRUCBV-UHFFFAOYSA-N 2 1 291.826 3.723 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)cc1 ZINC000403257646 1124019621 /nfs/dbraw/zinc/01/96/21/1124019621.db2.gz WQRBLUYDPADINX-CEXWTWQISA-N 2 1 298.474 3.677 20 0 CHADMP C[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2C2CCCCC2)CC1 ZINC000034996623 1124019936 /nfs/dbraw/zinc/01/99/36/1124019936.db2.gz HFOGTWPJKDRKKG-MSOLQXFVSA-N 2 1 278.484 3.809 20 0 CHADMP CCc1cccc(Cl)c1CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000475585412 1124021004 /nfs/dbraw/zinc/02/10/04/1124021004.db2.gz RCGQOPAPPDBHDN-AWEZNQCLSA-N 2 1 294.870 3.676 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CC[C@H](C)c2ccccc2)C1 ZINC000249043337 1124029434 /nfs/dbraw/zinc/02/94/34/1124029434.db2.gz VJBXALKRSQCTAC-ZWKOTPCHSA-N 2 1 288.479 3.890 20 0 CHADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000525694638 1124458236 /nfs/dbraw/zinc/45/82/36/1124458236.db2.gz DCEVRBFMCBCRDE-DJIMGWMZSA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)[C@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccccc21 ZINC000447575281 1124496320 /nfs/dbraw/zinc/49/63/20/1124496320.db2.gz RNZUTTQWCVTYSV-MOPGFXCFSA-N 2 1 284.447 3.723 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(Cl)c2)[C@@H](C)C1 ZINC000447728862 1124511175 /nfs/dbraw/zinc/51/11/75/1124511175.db2.gz NGBODKGODPOAJS-WMLDXEAASA-N 2 1 294.870 3.811 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)c(Cl)c2)[C@@H](C)C1 ZINC000447728862 1124511181 /nfs/dbraw/zinc/51/11/81/1124511181.db2.gz NGBODKGODPOAJS-WMLDXEAASA-N 2 1 294.870 3.811 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(Cl)c2)[C@@H](C)C1 ZINC000447728862 1124511184 /nfs/dbraw/zinc/51/11/84/1124511184.db2.gz NGBODKGODPOAJS-WMLDXEAASA-N 2 1 294.870 3.811 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H](C)c2ccccc2)C[C@@H]1C ZINC000447720525 1124516566 /nfs/dbraw/zinc/51/65/66/1124516566.db2.gz BZPQDVGCJNFMHR-LNLFQRSKSA-N 2 1 288.479 3.985 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H](C)c2ccccc2)C[C@@H]1C ZINC000447720525 1124516572 /nfs/dbraw/zinc/51/65/72/1124516572.db2.gz BZPQDVGCJNFMHR-LNLFQRSKSA-N 2 1 288.479 3.985 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H](C)c2ccccc2)C[C@@H]1C ZINC000447720525 1124516578 /nfs/dbraw/zinc/51/65/78/1124516578.db2.gz BZPQDVGCJNFMHR-LNLFQRSKSA-N 2 1 288.479 3.985 20 0 CHADMP CC(C)C[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000448551798 1124584491 /nfs/dbraw/zinc/58/44/91/1124584491.db2.gz WCKKGPQPICMLIH-VUCRHFMTSA-N 2 1 278.484 3.806 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc3ccoc32)C1 ZINC000449034656 1124636015 /nfs/dbraw/zinc/63/60/15/1124636015.db2.gz DJPHUNURBHQOLG-OAHLLOKOSA-N 2 1 286.419 3.597 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc3ccoc32)C1 ZINC000449034656 1124636019 /nfs/dbraw/zinc/63/60/19/1124636019.db2.gz DJPHUNURBHQOLG-OAHLLOKOSA-N 2 1 286.419 3.597 20 0 CHADMP C[C@@H](Cc1coc2ccccc12)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000449068968 1124644261 /nfs/dbraw/zinc/64/42/61/1124644261.db2.gz DFKJFHCVOOSKGL-AWEZNQCLSA-N 2 1 298.430 3.580 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)[C@H]1CCCC[C@@H]1C ZINC000449072095 1124645118 /nfs/dbraw/zinc/64/51/18/1124645118.db2.gz JEUYWDHPLDAPGQ-DLTWYDFYSA-N 2 1 277.456 3.632 20 0 CHADMP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449091054 1124649066 /nfs/dbraw/zinc/64/90/66/1124649066.db2.gz OZTVGBVUVSAXRB-HYVNUMGLSA-N 2 1 298.430 3.580 20 0 CHADMP CCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCC)C1)C1CCCC1 ZINC000449095468 1124650156 /nfs/dbraw/zinc/65/01/56/1124650156.db2.gz YQICEXRMRKSOFY-DOTOQJQBSA-N 2 1 266.473 3.667 20 0 CHADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449116493 1124650524 /nfs/dbraw/zinc/65/05/24/1124650524.db2.gz LMIUYHAMRSIXFN-HJOIGYKYSA-N 2 1 296.499 3.577 20 0 CHADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449116493 1124650526 /nfs/dbraw/zinc/65/05/26/1124650526.db2.gz LMIUYHAMRSIXFN-HJOIGYKYSA-N 2 1 296.499 3.577 20 0 CHADMP CC[C@H](CCC(F)(F)F)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000872019641 1124657724 /nfs/dbraw/zinc/65/77/24/1124657724.db2.gz XXAKKWNDHDQTHU-GFCCVEGCSA-N 2 1 280.378 3.572 20 0 CHADMP CC[C@@H](CCC(F)(F)F)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000872032499 1124661723 /nfs/dbraw/zinc/66/17/23/1124661723.db2.gz VEZDGJWLVJUSAG-YPMHNXCESA-N 2 1 291.361 3.538 20 0 CHADMP CC[C@@H](CCC(F)(F)F)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000872033398 1124661787 /nfs/dbraw/zinc/66/17/87/1124661787.db2.gz GNVYBBYULLOWNH-LBPRGKRZSA-N 2 1 280.378 3.572 20 0 CHADMP CC[C@@H](CCC(F)(F)F)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000872033398 1124661788 /nfs/dbraw/zinc/66/17/88/1124661788.db2.gz GNVYBBYULLOWNH-LBPRGKRZSA-N 2 1 280.378 3.572 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CC(C)(F)C2)cc1 ZINC000449374717 1124706040 /nfs/dbraw/zinc/70/60/40/1124706040.db2.gz CCJLZOHFLLVMOG-OLJMKKDRSA-N 2 1 287.382 3.722 20 0 CHADMP CC/C=C/C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000449463401 1124758183 /nfs/dbraw/zinc/75/81/83/1124758183.db2.gz WWHVNXLCWDPOAN-GJBLVYBDSA-N 2 1 269.392 3.798 20 0 CHADMP CC[C@@H]1C[C@H]1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449485638 1124764623 /nfs/dbraw/zinc/76/46/23/1124764623.db2.gz QVQVRYMKFIZBKX-OWYHZJEWSA-N 2 1 286.463 3.533 20 0 CHADMP C[C@@H](CCC1CCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560077 1124802758 /nfs/dbraw/zinc/80/27/58/1124802758.db2.gz FTQFJHFYVBZTRG-LNRIEFBSSA-N 2 1 264.457 3.560 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449739678 1124857907 /nfs/dbraw/zinc/85/79/07/1124857907.db2.gz BVYXSAARJYVLKO-LDTOTXGLSA-N 2 1 298.474 3.533 20 0 CHADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529538088 1124992691 /nfs/dbraw/zinc/99/26/91/1124992691.db2.gz KHAKITAVXKRDRX-ZFWWWQNUSA-N 2 1 288.426 3.664 20 0 CHADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529538088 1124992694 /nfs/dbraw/zinc/99/26/94/1124992694.db2.gz KHAKITAVXKRDRX-ZFWWWQNUSA-N 2 1 288.426 3.664 20 0 CHADMP Cc1cccc(NC[C@H]2CC[N@H+](CC3=CCCCC3)C2)[nH+]1 ZINC000450425628 1125015538 /nfs/dbraw/zinc/01/55/38/1125015538.db2.gz NSXYTNKXXPOTQX-QGZVFWFLSA-N 2 1 285.435 3.624 20 0 CHADMP Cc1cccc(NC[C@H]2CC[N@@H+](CC3=CCCCC3)C2)[nH+]1 ZINC000450425628 1125015547 /nfs/dbraw/zinc/01/55/47/1125015547.db2.gz NSXYTNKXXPOTQX-QGZVFWFLSA-N 2 1 285.435 3.624 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC000450460816 1125036048 /nfs/dbraw/zinc/03/60/48/1125036048.db2.gz RBHLSBFDEJWSAQ-KEEQEYLASA-N 2 1 286.463 3.754 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC000450460815 1125036073 /nfs/dbraw/zinc/03/60/73/1125036073.db2.gz RBHLSBFDEJWSAQ-ICEKFOEVSA-N 2 1 286.463 3.754 20 0 CHADMP C1=C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000877623915 1125056388 /nfs/dbraw/zinc/05/63/88/1125056388.db2.gz DZNZSDFINOQJQF-SCTDSRPQSA-N 2 1 282.431 3.663 20 0 CHADMP C1=C[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000877623915 1125056393 /nfs/dbraw/zinc/05/63/93/1125056393.db2.gz DZNZSDFINOQJQF-SCTDSRPQSA-N 2 1 282.431 3.663 20 0 CHADMP C1=C(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCCC1 ZINC000450604146 1125064353 /nfs/dbraw/zinc/06/43/53/1125064353.db2.gz VTCQCLOMGTZPMB-MJGOQNOKSA-N 2 1 288.479 3.826 20 0 CHADMP c1csc([C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C2CCCC2)c1 ZINC000530222933 1125133432 /nfs/dbraw/zinc/13/34/32/1125133432.db2.gz SBDDQWMAPRMXHS-HZPDHXFCSA-N 2 1 290.476 3.854 20 0 CHADMP CC(C)Cc1ccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000392264145 1125144517 /nfs/dbraw/zinc/14/45/17/1125144517.db2.gz LLXZGTSUQKGSJY-MRXNPFEDSA-N 2 1 286.463 3.798 20 0 CHADMP CC[C@H](C[NH2+][C@H](C)CCC=C(C)C)[NH+]1CCCC1 ZINC000532195430 1125239651 /nfs/dbraw/zinc/23/96/51/1125239651.db2.gz JASGQQNUAZELOP-HZPDHXFCSA-N 2 1 252.446 3.585 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@@]12C[C@@H]1CCCC2 ZINC000879266430 1125205616 /nfs/dbraw/zinc/20/56/16/1125205616.db2.gz UVPURLFMYIHXNC-HYVNUMGLSA-N 2 1 275.440 3.530 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CCCC2CCCCC2)[C@H](C)C1 ZINC000532195401 1125239199 /nfs/dbraw/zinc/23/91/99/1125239199.db2.gz IFQXFGYEMVHDMR-NVXWUHKLSA-N 2 1 266.473 3.667 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880538902 1125279130 /nfs/dbraw/zinc/27/91/30/1125279130.db2.gz OUJYPAXOEIVGEM-YJBOKZPZSA-N 2 1 281.403 3.516 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880538902 1125279134 /nfs/dbraw/zinc/27/91/34/1125279134.db2.gz OUJYPAXOEIVGEM-YJBOKZPZSA-N 2 1 281.403 3.516 20 0 CHADMP CC(C)c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000035054326 1125300976 /nfs/dbraw/zinc/30/09/76/1125300976.db2.gz HGOQVJYZJWEVAY-UHFFFAOYSA-N 2 1 272.436 3.526 20 0 CHADMP [NH3+][C@H]1C[C@@H]([NH2+]C2(c3ccc(F)cc3)CCC2)c2ccccc21 ZINC000643467820 1125362509 /nfs/dbraw/zinc/36/25/09/1125362509.db2.gz UWNYIRSKXIJBDO-ZWKOTPCHSA-N 2 1 296.389 3.939 20 0 CHADMP CC1CCC([NH2+]CCC[N@@H+](C)C2CCCCC2)CC1 ZINC000037901074 1125369269 /nfs/dbraw/zinc/36/92/69/1125369269.db2.gz PUXGFPPSDJGLAX-UHFFFAOYSA-N 2 1 266.473 3.809 20 0 CHADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1sccc1Cl ZINC000883210410 1125378332 /nfs/dbraw/zinc/37/83/32/1125378332.db2.gz TWAWVNBJHICVBG-ZDUSSCGKSA-N 2 1 284.856 3.704 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCCC2(CC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000883216726 1125378913 /nfs/dbraw/zinc/37/89/13/1125378913.db2.gz VNYFDJXGAMBIHW-GVDBMIGSSA-N 2 1 290.495 3.952 20 0 CHADMP C[C@H]([NH2+][C@H]1CCCC2(CC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000883216725 1125379023 /nfs/dbraw/zinc/37/90/23/1125379023.db2.gz VNYFDJXGAMBIHW-BBWFWOEESA-N 2 1 290.495 3.952 20 0 CHADMP C1=C[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000883236912 1125381840 /nfs/dbraw/zinc/38/18/40/1125381840.db2.gz MZRQLKCOPFVHCV-IEBWSBKVSA-N 2 1 296.458 3.739 20 0 CHADMP C1=C[C@@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000883236912 1125381843 /nfs/dbraw/zinc/38/18/43/1125381843.db2.gz MZRQLKCOPFVHCV-IEBWSBKVSA-N 2 1 296.458 3.739 20 0 CHADMP CCSc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883236353 1125382243 /nfs/dbraw/zinc/38/22/43/1125382243.db2.gz ZQCOVWOABLSBPS-HZPDHXFCSA-N 2 1 290.476 3.515 20 0 CHADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc(C)c1F ZINC000532447678 1125388321 /nfs/dbraw/zinc/38/83/21/1125388321.db2.gz RXCRPEWBZFVUSN-UAGQMJEPSA-N 2 1 290.426 3.720 20 0 CHADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc(C)c1F ZINC000532447678 1125388322 /nfs/dbraw/zinc/38/83/22/1125388322.db2.gz RXCRPEWBZFVUSN-UAGQMJEPSA-N 2 1 290.426 3.720 20 0 CHADMP Cc1cccc(CC[C@H](C)[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000040623598 1125388796 /nfs/dbraw/zinc/38/87/96/1125388796.db2.gz UJQWKOAPZJAMAY-PKOBYXMFSA-N 2 1 288.479 3.636 20 0 CHADMP CC(C)CC(CC(C)C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040622367 1125388992 /nfs/dbraw/zinc/38/89/92/1125388992.db2.gz OBLHIZKPGXVSSZ-INIZCTEOSA-N 2 1 268.489 3.767 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)C2CCCCC2)[C@H](C)C1 ZINC000532467853 1125396691 /nfs/dbraw/zinc/39/66/91/1125396691.db2.gz HZGGWRYMCBUAOC-INMHGKMJSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)CC[N@@H+]1C ZINC000532525296 1125408219 /nfs/dbraw/zinc/40/82/19/1125408219.db2.gz LIKUAXPAMFJZMH-PILAGYSTSA-N 2 1 290.426 3.534 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)CC[N@H+]1C ZINC000532525296 1125408221 /nfs/dbraw/zinc/40/82/21/1125408221.db2.gz LIKUAXPAMFJZMH-PILAGYSTSA-N 2 1 290.426 3.534 20 0 CHADMP Cc1cc(C)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(C)c1 ZINC000532538400 1125409763 /nfs/dbraw/zinc/40/97/63/1125409763.db2.gz YRGWQLKGTCHGAJ-IEBWSBKVSA-N 2 1 286.463 3.528 20 0 CHADMP Cc1cc(C)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(C)c1 ZINC000532538400 1125409766 /nfs/dbraw/zinc/40/97/66/1125409766.db2.gz YRGWQLKGTCHGAJ-IEBWSBKVSA-N 2 1 286.463 3.528 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(C)c1 ZINC000532538400 1125409767 /nfs/dbraw/zinc/40/97/67/1125409767.db2.gz YRGWQLKGTCHGAJ-IEBWSBKVSA-N 2 1 286.463 3.528 20 0 CHADMP Cc1cc(C)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(C)c1 ZINC000532538401 1125410121 /nfs/dbraw/zinc/41/01/21/1125410121.db2.gz YRGWQLKGTCHGAJ-MJGOQNOKSA-N 2 1 286.463 3.528 20 0 CHADMP Cc1cc(C)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(C)c1 ZINC000532538401 1125410122 /nfs/dbraw/zinc/41/01/22/1125410122.db2.gz YRGWQLKGTCHGAJ-MJGOQNOKSA-N 2 1 286.463 3.528 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(C)c1 ZINC000532538401 1125410124 /nfs/dbraw/zinc/41/01/24/1125410124.db2.gz YRGWQLKGTCHGAJ-MJGOQNOKSA-N 2 1 286.463 3.528 20 0 CHADMP CC(C)C[N@@H+](C1CCC(C)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168205444 1125411912 /nfs/dbraw/zinc/41/19/12/1125411912.db2.gz BWYVUTFQHBWEKQ-PQCUMEFNSA-N 2 1 266.473 3.793 20 0 CHADMP CC(C)[NH+]1CCC(C[N@@H+](C)C2CCC(C)CC2)CC1 ZINC001168217432 1125417135 /nfs/dbraw/zinc/41/71/35/1125417135.db2.gz LZDSANOLJIEHJU-UHFFFAOYSA-N 2 1 266.473 3.617 20 0 CHADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC000123697488 1125432050 /nfs/dbraw/zinc/43/20/50/1125432050.db2.gz HYHRJGWMNRFITK-KRWDZBQOSA-N 2 1 289.467 3.645 20 0 CHADMP CCC[C@]1(C)CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000124784816 1125442059 /nfs/dbraw/zinc/44/20/59/1125442059.db2.gz GZFFAZBMJDYTLQ-QGZVFWFLSA-N 2 1 277.456 3.874 20 0 CHADMP CCC[C@]1(C)CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000124784816 1125442060 /nfs/dbraw/zinc/44/20/60/1125442060.db2.gz GZFFAZBMJDYTLQ-QGZVFWFLSA-N 2 1 277.456 3.874 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC001202612011 1125443416 /nfs/dbraw/zinc/44/34/16/1125443416.db2.gz QAMMBIWGAOORCH-BBWFWOEESA-N 2 1 266.473 3.689 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC001202612011 1125443417 /nfs/dbraw/zinc/44/34/17/1125443417.db2.gz QAMMBIWGAOORCH-BBWFWOEESA-N 2 1 266.473 3.689 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]CC(C(C)C)C(C)C ZINC001202611853 1125443435 /nfs/dbraw/zinc/44/34/35/1125443435.db2.gz NZOHLAKMBQFCPM-OAHLLOKOSA-N 2 1 256.478 3.625 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]CC(C(C)C)C(C)C ZINC001202611853 1125443436 /nfs/dbraw/zinc/44/34/36/1125443436.db2.gz NZOHLAKMBQFCPM-OAHLLOKOSA-N 2 1 256.478 3.625 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)CCC2 ZINC001202612363 1125444697 /nfs/dbraw/zinc/44/46/97/1125444697.db2.gz WNAXDCKCOAVGKR-FUHWJXTLSA-N 2 1 286.463 3.835 20 0 CHADMP Cc1scc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1C ZINC000638136412 1129244831 /nfs/dbraw/zinc/24/48/31/1129244831.db2.gz YOHQPSSAZAYUCN-MRXNPFEDSA-N 2 1 292.492 3.529 20 0 CHADMP Cc1scc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1C ZINC000638136412 1129244835 /nfs/dbraw/zinc/24/48/35/1129244835.db2.gz YOHQPSSAZAYUCN-MRXNPFEDSA-N 2 1 292.492 3.529 20 0 CHADMP Cc1scc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1C ZINC000638136412 1129244838 /nfs/dbraw/zinc/24/48/38/1129244838.db2.gz YOHQPSSAZAYUCN-MRXNPFEDSA-N 2 1 292.492 3.529 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCC(=C2CCC2)CC1 ZINC000638335325 1129254609 /nfs/dbraw/zinc/25/46/09/1129254609.db2.gz MDCILLRWSRHTDD-CQSZACIVSA-N 2 1 287.451 3.840 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638363787 1129255012 /nfs/dbraw/zinc/25/50/12/1129255012.db2.gz YHLLBUYYJZNPMD-NWGLXNPWSA-N 2 1 284.447 3.600 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638363787 1129255016 /nfs/dbraw/zinc/25/50/16/1129255016.db2.gz YHLLBUYYJZNPMD-NWGLXNPWSA-N 2 1 284.447 3.600 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CS[C@@H](C)C2)c1 ZINC000638434737 1129258587 /nfs/dbraw/zinc/25/85/87/1129258587.db2.gz PNXRKIOJZQTWJW-YOEHRIQHSA-N 2 1 292.492 3.510 20 0 CHADMP c1ccc([C@H]2C[C@@H]([NH2+]CC3CCC3)CC[N@@H+]2C2CC2)cc1 ZINC000638437972 1129258659 /nfs/dbraw/zinc/25/86/59/1129258659.db2.gz QZZQNGRZNMBVKI-PKOBYXMFSA-N 2 1 284.447 3.744 20 0 CHADMP c1ccc([C@H]2C[C@@H]([NH2+]CC3CCC3)CC[N@H+]2C2CC2)cc1 ZINC000638437972 1129258662 /nfs/dbraw/zinc/25/86/62/1129258662.db2.gz QZZQNGRZNMBVKI-PKOBYXMFSA-N 2 1 284.447 3.744 20 0 CHADMP CC1=C(C)C[C@H]([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000638706559 1129267111 /nfs/dbraw/zinc/26/71/11/1129267111.db2.gz GOPZNUWZGRGCRT-MWDXBVQZSA-N 2 1 264.457 3.584 20 0 CHADMP CC1=C(C)C[C@H]([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000638706559 1129267114 /nfs/dbraw/zinc/26/71/14/1129267114.db2.gz GOPZNUWZGRGCRT-MWDXBVQZSA-N 2 1 264.457 3.584 20 0 CHADMP C[C@H](CC[NH2+][C@@H](C)[C@@H]1CC1(F)F)[N@@H+](C)Cc1ccccc1 ZINC000638726149 1129267649 /nfs/dbraw/zinc/26/76/49/1129267649.db2.gz KDMOZSJYRTVUKX-YCPHGPKFSA-N 2 1 296.405 3.530 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000638853747 1129272651 /nfs/dbraw/zinc/27/26/51/1129272651.db2.gz JAIAQYXFEYDVKH-CJNGLKHVSA-N 2 1 296.405 3.660 20 0 CHADMP CC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)F)c2)CC1 ZINC000348052272 1129274972 /nfs/dbraw/zinc/27/49/72/1129274972.db2.gz NRGDCJRPYQNXNZ-UHFFFAOYSA-N 2 1 282.378 3.540 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)F)c2)CC1 ZINC000348052272 1129274975 /nfs/dbraw/zinc/27/49/75/1129274975.db2.gz NRGDCJRPYQNXNZ-UHFFFAOYSA-N 2 1 282.378 3.540 20 0 CHADMP CSc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000348043631 1129275757 /nfs/dbraw/zinc/27/57/57/1129275757.db2.gz OAZAKDJLOQHWLM-SGMGOOAPSA-N 2 1 296.455 3.681 20 0 CHADMP C[N@@H+](CCCC[NH2+]C1CCC(=C2CCC2)CC1)C1CC1 ZINC000639245244 1129295780 /nfs/dbraw/zinc/29/57/80/1129295780.db2.gz UNZSLUWZPYMUNN-UHFFFAOYSA-N 2 1 276.468 3.874 20 0 CHADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3C[C@H]4C[C@H]4C3)CC[N@H+]2C2CC2)cc1 ZINC000639281488 1129298529 /nfs/dbraw/zinc/29/85/29/1129298529.db2.gz UOESJYZLURYOAR-LYYGHALDSA-N 2 1 296.458 3.743 20 0 CHADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3C[C@H]4C[C@H]4C3)CC[N@@H+]2C2CC2)cc1 ZINC000639281488 1129298534 /nfs/dbraw/zinc/29/85/34/1129298534.db2.gz UOESJYZLURYOAR-LYYGHALDSA-N 2 1 296.458 3.743 20 0 CHADMP CCCCC(CCCC)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001258381110 1129302278 /nfs/dbraw/zinc/30/22/78/1129302278.db2.gz SLINGTTXLWZWCF-INIZCTEOSA-N 2 1 254.462 3.809 20 0 CHADMP CC1([NH+]2CCCC2)CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC000639374097 1129307340 /nfs/dbraw/zinc/30/73/40/1129307340.db2.gz ALWCKBRFLKIGSE-UHFFFAOYSA-N 2 1 297.446 3.618 20 0 CHADMP C[C@@H]1C[N@@H+](CCCc2cccc(Cl)c2)CCC[C@H]1C[NH3+] ZINC001205985678 1129370843 /nfs/dbraw/zinc/37/08/43/1129370843.db2.gz ZRXKCMCLLVGQBP-ZBFHGGJFSA-N 2 1 294.870 3.579 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+]C(C)(C)c1ccc2ccccc2c1 ZINC000626115751 1129384064 /nfs/dbraw/zinc/38/40/64/1129384064.db2.gz DBUVGAASCVDLCE-UHFFFAOYSA-N 2 1 293.414 3.870 20 0 CHADMP CC(C)[C@@H](C[NH2+]C[C@H]1CC=CCC1)[NH+]1CCC(C)CC1 ZINC000642342114 1129415342 /nfs/dbraw/zinc/41/53/42/1129415342.db2.gz KVXPYCMAGFGLCL-ZWKOTPCHSA-N 2 1 278.484 3.689 20 0 CHADMP Clc1cc2c(c(Cl)c1)[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)CC2 ZINC000643522206 1129443754 /nfs/dbraw/zinc/44/37/54/1129443754.db2.gz JNUIUZIVRGBFII-TZMCWYRMSA-N 2 1 299.245 3.712 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1nccc2ccccc21 ZINC000643547960 1129445657 /nfs/dbraw/zinc/44/56/57/1129445657.db2.gz LHCLTMJPUORXDW-GDBMZVCRSA-N 2 1 295.430 3.560 20 0 CHADMP CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000180154387 1129454604 /nfs/dbraw/zinc/45/46/04/1129454604.db2.gz LGKBHGWZPWMGDW-YQQQUEKLSA-N 2 1 298.474 3.962 20 0 CHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccoc2)[C@H]1c1cccs1 ZINC000742373970 1129475466 /nfs/dbraw/zinc/47/54/66/1129475466.db2.gz XESJHKUCPKVOSZ-HOCLYGCPSA-N 2 1 290.432 3.514 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccoc2)[C@H]1c1cccs1 ZINC000742373970 1129475469 /nfs/dbraw/zinc/47/54/69/1129475469.db2.gz XESJHKUCPKVOSZ-HOCLYGCPSA-N 2 1 290.432 3.514 20 0 CHADMP CCC[C@H]1CCCC[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000796284147 1129513307 /nfs/dbraw/zinc/51/33/07/1129513307.db2.gz KBDGESDAXJLOLP-DZGCQCFKSA-N 2 1 295.496 3.653 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C1CCC1 ZINC000647344418 1129571931 /nfs/dbraw/zinc/57/19/31/1129571931.db2.gz QDXNGXKETMQVOO-QYZOEREBSA-N 2 1 286.463 3.500 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(C)s1 ZINC000647544363 1129580924 /nfs/dbraw/zinc/58/09/24/1129580924.db2.gz ZMGVUELCTMYLNN-CVEARBPZSA-N 2 1 292.492 3.577 20 0 CHADMP CC[C@H](C)[C@H](C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC001168836175 1129676160 /nfs/dbraw/zinc/67/61/60/1129676160.db2.gz AXJRRBHEAUJXRH-GJZGRUSLSA-N 2 1 262.441 3.615 20 0 CHADMP CCCC[C@H](CCC)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001258755072 1129691518 /nfs/dbraw/zinc/69/15/18/1129691518.db2.gz CQCBPSSZCSZRBN-JYJNAYRXSA-N 2 1 254.462 3.808 20 0 CHADMP Cc1c[nH+]c(CC[NH3+])n1[C@H](Cc1ccccc1)CC(C)C ZINC001169049230 1129692020 /nfs/dbraw/zinc/69/20/20/1129692020.db2.gz FKMUSPGFKDPVHF-KRWDZBQOSA-N 2 1 285.435 3.523 20 0 CHADMP CCC[N@@H+](CCC[NH3+])[C@H](Cc1ccccc1)CC(C)C ZINC001169050200 1129692041 /nfs/dbraw/zinc/69/20/41/1129692041.db2.gz NDYRCEVYOWWVOW-SFHVURJKSA-N 2 1 276.468 3.705 20 0 CHADMP CC(C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001169070207 1129695758 /nfs/dbraw/zinc/69/57/58/1129695758.db2.gz OROIAWHGOMYMAM-QXAKKESOSA-N 2 1 288.479 3.574 20 0 CHADMP CC(C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001169070207 1129695759 /nfs/dbraw/zinc/69/57/59/1129695759.db2.gz OROIAWHGOMYMAM-QXAKKESOSA-N 2 1 288.479 3.574 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCC1CCCCCCC1)C2 ZINC001169099753 1129696138 /nfs/dbraw/zinc/69/61/38/1129696138.db2.gz VAKGVFMWKUYHCJ-NNZMDNLPSA-N 2 1 278.484 3.952 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccccc3)CCCC1)C2 ZINC001169095372 1129696224 /nfs/dbraw/zinc/69/62/24/1129696224.db2.gz QGITYUNWPGODRV-NNZMDNLPSA-N 2 1 284.447 3.671 20 0 CHADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC001169094501 1129696578 /nfs/dbraw/zinc/69/65/78/1129696578.db2.gz LXPBAYLEKRELBB-VCOSZWKGSA-N 2 1 278.827 3.616 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3c1cccc3Cl)C2 ZINC001169100133 1129697516 /nfs/dbraw/zinc/69/75/16/1129697516.db2.gz HESVUGODWKXFLR-IPJQOSJUSA-N 2 1 290.838 3.542 20 0 CHADMP CCCCc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169091694 1129700693 /nfs/dbraw/zinc/70/06/93/1129700693.db2.gz UQHBPQZFVUSCHI-LDLYASANSA-N 2 1 286.463 3.744 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCC[C@@H](c3ccccc3)C1)C2 ZINC001169125324 1129701430 /nfs/dbraw/zinc/70/14/30/1129701430.db2.gz ZARAUTZXIKWTFU-UJMXGEILSA-N 2 1 298.474 3.928 20 0 CHADMP Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169107409 1129702972 /nfs/dbraw/zinc/70/29/72/1129702972.db2.gz GDGMWPVBMOEKIE-NXOAAHMSSA-N 2 1 272.436 3.579 20 0 CHADMP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169115514 1129704696 /nfs/dbraw/zinc/70/46/96/1129704696.db2.gz KHZXEXSNKYPFTO-NXOAAHMSSA-N 2 1 272.436 3.579 20 0 CHADMP CCc1ccc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)[nH+]c1 ZINC001169149215 1129705517 /nfs/dbraw/zinc/70/55/17/1129705517.db2.gz YRFPZSNIOVCBCW-RHSMWYFYSA-N 2 1 275.440 3.600 20 0 CHADMP CC[NH+]1CCC([NH+]2CCC(C)(c3ccccc3)CC2)CC1 ZINC001169263473 1129711241 /nfs/dbraw/zinc/71/12/41/1129711241.db2.gz AAOYIRANZJPKAH-UHFFFAOYSA-N 2 1 286.463 3.524 20 0 CHADMP CCN1CCC([N@H+]2CCCC[C@@H]2c2ccccc2)CC1 ZINC001169247057 1129712144 /nfs/dbraw/zinc/71/21/44/1129712144.db2.gz XVFCLHHLCQSLEM-GOSISDBHSA-N 2 1 272.436 3.698 20 0 CHADMP CC[NH+]1CCC([N@@H+]2CCCC[C@@H]2c2ccccc2)CC1 ZINC001169247057 1129712146 /nfs/dbraw/zinc/71/21/46/1129712146.db2.gz XVFCLHHLCQSLEM-GOSISDBHSA-N 2 1 272.436 3.698 20 0 CHADMP CC[NH+]1CCC([N@H+]2CCCC[C@@H]2c2ccccc2)CC1 ZINC001169247057 1129712148 /nfs/dbraw/zinc/71/21/48/1129712148.db2.gz XVFCLHHLCQSLEM-GOSISDBHSA-N 2 1 272.436 3.698 20 0 CHADMP CC(C)C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000652135270 1129758186 /nfs/dbraw/zinc/75/81/86/1129758186.db2.gz LPAFNIKLUUZFGA-KRWDZBQOSA-N 2 1 278.415 3.597 20 0 CHADMP Cc1ccccc1C1([NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC000652217482 1129760118 /nfs/dbraw/zinc/76/01/18/1129760118.db2.gz YXXGLUQZZHPMGE-UHFFFAOYSA-N 2 1 284.447 3.591 20 0 CHADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000652222844 1129761319 /nfs/dbraw/zinc/76/13/19/1129761319.db2.gz ZGAVWVFFGBZYGY-INIZCTEOSA-N 2 1 299.462 3.863 20 0 CHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000652222844 1129761323 /nfs/dbraw/zinc/76/13/23/1129761323.db2.gz ZGAVWVFFGBZYGY-INIZCTEOSA-N 2 1 299.462 3.863 20 0 CHADMP CCCCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000653279546 1129778870 /nfs/dbraw/zinc/77/88/70/1129778870.db2.gz NASYXRWIXFAWHC-WBVHZDCISA-N 2 1 290.451 3.567 20 0 CHADMP CC[C@@H]1CCC[C@@H]([NH2+]CC[N@H+](C)C2CCCC2)CC1 ZINC000086909030 1129829861 /nfs/dbraw/zinc/82/98/61/1129829861.db2.gz PRFDPFJKBPVSQY-HZPDHXFCSA-N 2 1 266.473 3.809 20 0 CHADMP CC[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+](C)C2CCCC2)CC1 ZINC000086909030 1129829866 /nfs/dbraw/zinc/82/98/66/1129829866.db2.gz PRFDPFJKBPVSQY-HZPDHXFCSA-N 2 1 266.473 3.809 20 0 CHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)[C@H]2CCc3ccccc32)cc1 ZINC000768232539 1129845786 /nfs/dbraw/zinc/84/57/86/1129845786.db2.gz FDNSPMQXTBCBGI-FQEVSTJZSA-N 2 1 294.442 3.868 20 0 CHADMP C[C@]1(C[NH2+][C@@H]2CCC23CCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000800490603 1129879420 /nfs/dbraw/zinc/87/94/20/1129879420.db2.gz ILHARZZCHOQKHG-RTBURBONSA-N 2 1 298.474 3.821 20 0 CHADMP C[C@@]1(C[NH2+][C@H]2CCC23CCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000800490601 1129879467 /nfs/dbraw/zinc/87/94/67/1129879467.db2.gz ILHARZZCHOQKHG-OALUTQOASA-N 2 1 298.474 3.821 20 0 CHADMP C[C@@]1(C[NH2+][C@@H]2CCC23CCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000800490600 1129879772 /nfs/dbraw/zinc/87/97/72/1129879772.db2.gz ILHARZZCHOQKHG-MOPGFXCFSA-N 2 1 298.474 3.821 20 0 CHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cncc2ccccc21 ZINC000769482939 1129909605 /nfs/dbraw/zinc/90/96/05/1129909605.db2.gz LNJIYBJKHQCNAI-SFHVURJKSA-N 2 1 297.446 3.541 20 0 CHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cncc2ccccc21 ZINC000769482939 1129909606 /nfs/dbraw/zinc/90/96/06/1129909606.db2.gz LNJIYBJKHQCNAI-SFHVURJKSA-N 2 1 297.446 3.541 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cncc2ccccc21 ZINC000769482939 1129909608 /nfs/dbraw/zinc/90/96/08/1129909608.db2.gz LNJIYBJKHQCNAI-SFHVURJKSA-N 2 1 297.446 3.541 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cncc2ccccc21 ZINC000769482939 1129909609 /nfs/dbraw/zinc/90/96/09/1129909609.db2.gz LNJIYBJKHQCNAI-SFHVURJKSA-N 2 1 297.446 3.541 20 0 CHADMP CCCC[C@@H](CCC)[NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F ZINC001246221378 1131409620 /nfs/dbraw/zinc/40/96/20/1131409620.db2.gz NVOCWGNUSKGGNT-ZIAGYGMSSA-N 2 1 276.415 3.570 20 0 CHADMP COc1ccc([C@@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1C ZINC000902405285 1130007149 /nfs/dbraw/zinc/00/71/49/1130007149.db2.gz LUWNSKBDBTWTJL-FSPWUOQZSA-N 2 1 296.414 3.799 20 0 CHADMP CCCCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903055680 1130106243 /nfs/dbraw/zinc/10/62/43/1130106243.db2.gz JMGLPVQIBTWAAI-ZBSSRIJBSA-N 2 1 264.457 3.703 20 0 CHADMP CC[C@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903066900 1130108075 /nfs/dbraw/zinc/10/80/75/1130108075.db2.gz MLLGUYSPPGMTSI-LRVKYRPXSA-N 2 1 276.468 3.703 20 0 CHADMP Cc1ccccc1C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903079511 1130109875 /nfs/dbraw/zinc/10/98/75/1130109875.db2.gz CAQJKTLKJVZICQ-SHFXZJCHSA-N 2 1 298.474 3.673 20 0 CHADMP CC(C)CCC[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001170063398 1130113641 /nfs/dbraw/zinc/11/36/41/1130113641.db2.gz CEUNMYUCVGUSDY-LUKYLMHMSA-N 2 1 266.473 3.806 20 0 CHADMP CC(C)CCC[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001170063398 1130113644 /nfs/dbraw/zinc/11/36/44/1130113644.db2.gz CEUNMYUCVGUSDY-LUKYLMHMSA-N 2 1 266.473 3.806 20 0 CHADMP C[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903159210 1130120688 /nfs/dbraw/zinc/12/06/88/1130120688.db2.gz XCHCLWURESMXLH-WNJABXAVSA-N 2 1 276.468 3.703 20 0 CHADMP CC(C)(C)C(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903175833 1130124907 /nfs/dbraw/zinc/12/49/07/1130124907.db2.gz WJCCZGCAJUPAMD-VHRNVKJDSA-N 2 1 278.484 3.806 20 0 CHADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1CCC[C@H]1C1CC1 ZINC000903184900 1130125854 /nfs/dbraw/zinc/12/58/54/1130125854.db2.gz GEJPBNADSAWFBM-DBKFYXDTSA-N 2 1 288.479 3.560 20 0 CHADMP CC(C)CCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001170070089 1130134072 /nfs/dbraw/zinc/13/40/72/1130134072.db2.gz CEUMMEZMNBPSDM-RDJZCZTQSA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001170070089 1130134076 /nfs/dbraw/zinc/13/40/76/1130134076.db2.gz CEUMMEZMNBPSDM-RDJZCZTQSA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)CCC[C@H](C)[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001170079645 1130166760 /nfs/dbraw/zinc/16/67/60/1130166760.db2.gz FVFKJOWJIZGAGM-INIZCTEOSA-N 2 1 278.484 3.619 20 0 CHADMP CC(C)CCC[C@H](C)[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001170079645 1130166761 /nfs/dbraw/zinc/16/67/61/1130166761.db2.gz FVFKJOWJIZGAGM-INIZCTEOSA-N 2 1 278.484 3.619 20 0 CHADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]2c2ccccc2Cl)C1 ZINC000903431436 1130176661 /nfs/dbraw/zinc/17/66/61/1130176661.db2.gz OFVNHVIXGJOCGC-WOSRLPQWSA-N 2 1 278.827 3.604 20 0 CHADMP C[NH+]1CCC(C[N@@H+](Cc2ccco2)Cc2ccccc2)CC1 ZINC000788474270 1130189406 /nfs/dbraw/zinc/18/94/06/1130189406.db2.gz PBTWLBHXGIXIGL-UHFFFAOYSA-N 2 1 298.430 3.624 20 0 CHADMP C[NH+]1CCC(C[N@H+]2CCCCC[C@@H]2c2ccco2)CC1 ZINC000788480593 1130190024 /nfs/dbraw/zinc/19/00/24/1130190024.db2.gz NAVPCEGKRPAHEL-MRXNPFEDSA-N 2 1 276.424 3.539 20 0 CHADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C1c3ccccc3-c3ccccc31)C2 ZINC000903842782 1130205744 /nfs/dbraw/zinc/20/57/44/1130205744.db2.gz USVDSTODIJJINW-ZNMIVQPWSA-N 2 1 290.410 3.568 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1ccc(F)c(Cl)c1 ZINC001254504709 1130257240 /nfs/dbraw/zinc/25/72/40/1130257240.db2.gz WAPBUGAZBKDHKV-DGCLKSJQSA-N 2 1 284.806 3.614 20 0 CHADMP C[C@H]1CC[C@@H]([N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170118445 1130274295 /nfs/dbraw/zinc/27/42/95/1130274295.db2.gz SJMMYULLIMMSEG-DSLXNQLJSA-N 2 1 286.463 3.947 20 0 CHADMP Cc1cc(F)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1Cl ZINC001206037411 1130274978 /nfs/dbraw/zinc/27/49/78/1130274978.db2.gz VJWVJCDEESXHOF-STQMWFEESA-N 2 1 298.833 3.594 20 0 CHADMP C[C@H]1CC[C@H]([N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170118450 1130275950 /nfs/dbraw/zinc/27/59/50/1130275950.db2.gz SJMMYULLIMMSEG-WNHJNPCNSA-N 2 1 286.463 3.947 20 0 CHADMP C[C@@H]1CC[C@@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170120118 1130277502 /nfs/dbraw/zinc/27/75/02/1130277502.db2.gz FHTAHRZMEDWFSH-MUIFIZLQSA-N 2 1 264.457 3.690 20 0 CHADMP C(CCC1CCCC1)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677242079 1130298207 /nfs/dbraw/zinc/29/82/07/1130298207.db2.gz XDVGWFWWTPNCGY-IRXDYDNUSA-N 2 1 264.457 3.563 20 0 CHADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+]([C@@H]4CC[C@H](C)C4)C[C@H]3C2)cc1 ZINC001170138525 1130317926 /nfs/dbraw/zinc/31/79/26/1130317926.db2.gz QRTYMXDAYLSHDY-MTFMMBMASA-N 2 1 298.474 3.547 20 0 CHADMP c1ccc(C[N@H+]2Cc3cccc(C4=CC[NH2+]CC4)c3C2)cc1 ZINC001240466921 1130320652 /nfs/dbraw/zinc/32/06/52/1130320652.db2.gz KZWWVNYTIYJVNP-UHFFFAOYSA-N 2 1 290.410 3.579 20 0 CHADMP C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)C1 ZINC001170145367 1130333839 /nfs/dbraw/zinc/33/38/39/1130333839.db2.gz UKCRUKIVNLHSCN-IXDOHACOSA-N 2 1 264.457 3.515 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000678079007 1130349080 /nfs/dbraw/zinc/34/90/80/1130349080.db2.gz LHRZXLYJLXCGBS-QGZVFWFLSA-N 2 1 287.382 3.558 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000678079007 1130349086 /nfs/dbraw/zinc/34/90/86/1130349086.db2.gz LHRZXLYJLXCGBS-QGZVFWFLSA-N 2 1 287.382 3.558 20 0 CHADMP C[C@@H]1CC[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC001170152676 1130362343 /nfs/dbraw/zinc/36/23/43/1130362343.db2.gz MKRNJMWUMOYOPO-VQIMIIECSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001170156496 1130383283 /nfs/dbraw/zinc/38/32/83/1130383283.db2.gz GIWFXTFCPLQTAE-MDNKFWRPSA-N 2 1 298.474 3.629 20 0 CHADMP C[C@@H]1CC[C@H]([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001170156496 1130383288 /nfs/dbraw/zinc/38/32/88/1130383288.db2.gz GIWFXTFCPLQTAE-MDNKFWRPSA-N 2 1 298.474 3.629 20 0 CHADMP C[C@@H]1CC[C@H]([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001170156496 1130383294 /nfs/dbraw/zinc/38/32/94/1130383294.db2.gz GIWFXTFCPLQTAE-MDNKFWRPSA-N 2 1 298.474 3.629 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1c2ccccc2CC[C@@H]1C ZINC000678769591 1130451960 /nfs/dbraw/zinc/45/19/60/1130451960.db2.gz WPOVYRBWZYQUSQ-ZRGWGRIASA-N 2 1 297.446 3.741 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CC(C)(C)c2ccccc2)C[C@@H]1C ZINC000678832538 1130463021 /nfs/dbraw/zinc/46/30/21/1130463021.db2.gz GCWPKRICWGAFNP-FUHWJXTLSA-N 2 1 288.479 3.769 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CC(C)(C)c2ccccc2)C[C@@H]1C ZINC000678832538 1130463025 /nfs/dbraw/zinc/46/30/25/1130463025.db2.gz GCWPKRICWGAFNP-FUHWJXTLSA-N 2 1 288.479 3.769 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC(C)(C)c2ccccc2)C[C@@H]1C ZINC000678832538 1130463031 /nfs/dbraw/zinc/46/30/31/1130463031.db2.gz GCWPKRICWGAFNP-FUHWJXTLSA-N 2 1 288.479 3.769 20 0 CHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CCc2ccccc21 ZINC000679535074 1130536234 /nfs/dbraw/zinc/53/62/34/1130536234.db2.gz UNUNPVHNIZIAJU-ROUUACIJSA-N 2 1 286.463 3.523 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CCc2ccccc21 ZINC000679535074 1130536239 /nfs/dbraw/zinc/53/62/39/1130536239.db2.gz UNUNPVHNIZIAJU-ROUUACIJSA-N 2 1 286.463 3.523 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CCc2ccccc21 ZINC000679535074 1130536246 /nfs/dbraw/zinc/53/62/46/1130536246.db2.gz UNUNPVHNIZIAJU-ROUUACIJSA-N 2 1 286.463 3.523 20 0 CHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CCc2ccccc21 ZINC000679535070 1130536310 /nfs/dbraw/zinc/53/63/10/1130536310.db2.gz UNUNPVHNIZIAJU-MSOLQXFVSA-N 2 1 286.463 3.523 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CCc2ccccc21 ZINC000679535070 1130536313 /nfs/dbraw/zinc/53/63/13/1130536313.db2.gz UNUNPVHNIZIAJU-MSOLQXFVSA-N 2 1 286.463 3.523 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H]1CCc2ccccc21 ZINC000679535070 1130536314 /nfs/dbraw/zinc/53/63/14/1130536314.db2.gz UNUNPVHNIZIAJU-MSOLQXFVSA-N 2 1 286.463 3.523 20 0 CHADMP C[N@@H+](CCc1ccc(F)cc1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256573175 1130677078 /nfs/dbraw/zinc/67/70/78/1130677078.db2.gz DYFTXUIBHUOMJF-UHFFFAOYSA-N 2 1 292.442 3.563 20 0 CHADMP CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1 ZINC001235041831 1130704029 /nfs/dbraw/zinc/70/40/29/1130704029.db2.gz UAMLJLYZCNIIMG-LJQANCHMSA-N 2 1 286.463 3.918 20 0 CHADMP CCCC[C@@H](CC)C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235037164 1130705020 /nfs/dbraw/zinc/70/50/20/1130705020.db2.gz CRFLONOKLKSZBJ-IAGOWNOFSA-N 2 1 266.473 3.811 20 0 CHADMP C(C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1)C1CCCCC1 ZINC001235042646 1130705416 /nfs/dbraw/zinc/70/54/16/1130705416.db2.gz ZIMKPIOOKDDXAU-QGZVFWFLSA-N 2 1 264.457 3.565 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235111722 1130712419 /nfs/dbraw/zinc/71/24/19/1130712419.db2.gz STNJFIWEYBDLAO-DLBZAZTESA-N 2 1 264.457 3.587 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235124281 1130712936 /nfs/dbraw/zinc/71/29/36/1130712936.db2.gz LNLMYXFARITYKD-DLBZAZTESA-N 2 1 264.457 3.587 20 0 CHADMP c1ccc(CCCCC[N@@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001235126018 1130713608 /nfs/dbraw/zinc/71/36/08/1130713608.db2.gz QYGVIANRBMTLOI-IBGZPJMESA-N 2 1 286.463 3.617 20 0 CHADMP c1ccc(CCCCC[N@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001235126018 1130713612 /nfs/dbraw/zinc/71/36/12/1130713612.db2.gz QYGVIANRBMTLOI-IBGZPJMESA-N 2 1 286.463 3.617 20 0 CHADMP c1ccc(C2(C[N@@H+]3CCCC[C@]34CC[NH2+]C4)CCCC2)cc1 ZINC001235125078 1130713882 /nfs/dbraw/zinc/71/38/82/1130713882.db2.gz NEKKXXFBJSJQMK-HXUWFJFHSA-N 2 1 298.474 3.716 20 0 CHADMP c1ccc(C2(C[N@H+]3CCCC[C@]34CC[NH2+]C4)CCCC2)cc1 ZINC001235125078 1130713887 /nfs/dbraw/zinc/71/38/87/1130713887.db2.gz NEKKXXFBJSJQMK-HXUWFJFHSA-N 2 1 298.474 3.716 20 0 CHADMP CCc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1 ZINC001235152651 1130714148 /nfs/dbraw/zinc/71/41/48/1130714148.db2.gz HWKGYGFYJXHVDD-IBGZPJMESA-N 2 1 286.463 3.603 20 0 CHADMP c1ccc(C2(C[N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)CC2)cc1 ZINC001235152903 1130714809 /nfs/dbraw/zinc/71/48/09/1130714809.db2.gz PRVFAHBPUXOOOO-IBGZPJMESA-N 2 1 298.474 3.572 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@@H+]2CCCC23CC[NH2+]CC3)c1 ZINC001235143256 1130715391 /nfs/dbraw/zinc/71/53/91/1130715391.db2.gz BALLTZVNGIYUDP-UHFFFAOYSA-N 2 1 292.854 3.675 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@H+]2CCCC23CC[NH2+]CC3)c1 ZINC001235143256 1130715397 /nfs/dbraw/zinc/71/53/97/1130715397.db2.gz BALLTZVNGIYUDP-UHFFFAOYSA-N 2 1 292.854 3.675 20 0 CHADMP Clc1sccc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235155741 1130715696 /nfs/dbraw/zinc/71/56/96/1130715696.db2.gz DZYDIHOHSDQRCY-AWEZNQCLSA-N 2 1 298.883 3.756 20 0 CHADMP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1cccc3c4ccccc4oc31)C2 ZINC001235159176 1130716081 /nfs/dbraw/zinc/71/60/81/1130716081.db2.gz QKYLJBSSSAXXFN-IFXJQAMLSA-N 2 1 292.382 3.509 20 0 CHADMP C[C@@H](C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1)c1ccccc1 ZINC001235154956 1130716483 /nfs/dbraw/zinc/71/64/83/1130716483.db2.gz XJGJZISEPKQWKG-QFBILLFUSA-N 2 1 286.463 3.644 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC001235275483 1130730740 /nfs/dbraw/zinc/73/07/40/1130730740.db2.gz WXEUSIZMKWBGRY-AEFFLSMTSA-N 2 1 286.463 3.558 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001235394193 1130738596 /nfs/dbraw/zinc/73/85/96/1130738596.db2.gz CGCNPCAEQCBWHE-ULQDDVLXSA-N 2 1 296.474 3.768 20 0 CHADMP c1cc(C2CC2)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235427169 1130741606 /nfs/dbraw/zinc/74/16/06/1130741606.db2.gz NCGPYPKKZOEQKD-WOJBJXKFSA-N 2 1 298.474 3.776 20 0 CHADMP C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)C1CCCCC1 ZINC001235423561 1130741970 /nfs/dbraw/zinc/74/19/70/1130741970.db2.gz HAOCOYUXDFIGDC-MSOLQXFVSA-N 2 1 278.484 3.668 20 0 CHADMP Cc1cccc(C)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235423595 1130742105 /nfs/dbraw/zinc/74/21/05/1130742105.db2.gz HBFJFFBZPUUUEQ-ZWKOTPCHSA-N 2 1 286.463 3.515 20 0 CHADMP CCCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC001235663949 1130762852 /nfs/dbraw/zinc/76/28/52/1130762852.db2.gz OPBHINZJRJTNOY-KRWDZBQOSA-N 2 1 274.452 3.678 20 0 CHADMP C[C@H](C[N@H+]1CCC[C@@H](C[NH3+])C1)c1cccc2ccccc21 ZINC001235675318 1130765301 /nfs/dbraw/zinc/76/53/01/1130765301.db2.gz VQKGUASDKMXFAQ-CVEARBPZSA-N 2 1 282.431 3.614 20 0 CHADMP c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001235674852 1130766812 /nfs/dbraw/zinc/76/68/12/1130766812.db2.gz QXWMAGZZEBUTOP-FQEVSTJZSA-N 2 1 292.426 3.669 20 0 CHADMP CC[C@@H]([NH3+])C[NH+]1CCC(CCc2ccc(Cl)cc2)CC1 ZINC001235694997 1130770308 /nfs/dbraw/zinc/77/03/08/1130770308.db2.gz MPRKDDRCGWYJOD-QGZVFWFLSA-N 2 1 294.870 3.722 20 0 CHADMP c1csc(-c2ccccc2C[N@@H+]2CCCC3(C[NH2+]C3)C2)c1 ZINC001235711163 1130771953 /nfs/dbraw/zinc/77/19/53/1130771953.db2.gz KXQVDIPFCVNPRE-UHFFFAOYSA-N 2 1 298.455 3.601 20 0 CHADMP c1csc(-c2ccccc2C[N@H+]2CCCC3(C[NH2+]C3)C2)c1 ZINC001235711163 1130771960 /nfs/dbraw/zinc/77/19/60/1130771960.db2.gz KXQVDIPFCVNPRE-UHFFFAOYSA-N 2 1 298.455 3.601 20 0 CHADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cc2ccccc2s1 ZINC001235715787 1130772221 /nfs/dbraw/zinc/77/22/21/1130772221.db2.gz WQVLMYFXSQQJLE-UHFFFAOYSA-N 2 1 288.460 3.723 20 0 CHADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cccc2sccc21 ZINC001235717562 1130772323 /nfs/dbraw/zinc/77/23/23/1130772323.db2.gz KGEOEESNBSOUII-UHFFFAOYSA-N 2 1 288.460 3.723 20 0 CHADMP Cc1cc(C[N@@H+](C)CCC2CC[NH2+]CC2)c(F)cc1Cl ZINC001235718326 1130772918 /nfs/dbraw/zinc/77/29/18/1130772918.db2.gz YGROIWPGBJUUAD-UHFFFAOYSA-N 2 1 298.833 3.609 20 0 CHADMP CCCCCCc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)s1 ZINC001235749627 1130776799 /nfs/dbraw/zinc/77/67/99/1130776799.db2.gz IOZWYONWUIBCGM-CQSZACIVSA-N 2 1 280.481 3.652 20 0 CHADMP CC[N@H+](Cc1cc(Cl)ccc1SC)C1CC[NH2+]CC1 ZINC001235765254 1130778537 /nfs/dbraw/zinc/77/85/37/1130778537.db2.gz UOFPOADDACISJJ-UHFFFAOYSA-N 2 1 298.883 3.636 20 0 CHADMP CC[N@@H+](Cc1cc(Cl)ccc1SC)C1CC[NH2+]CC1 ZINC001235765254 1130778539 /nfs/dbraw/zinc/77/85/39/1130778539.db2.gz UOFPOADDACISJJ-UHFFFAOYSA-N 2 1 298.883 3.636 20 0 CHADMP C[C@@H](C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2)c1cccc2ccccc21 ZINC001235808250 1130782846 /nfs/dbraw/zinc/78/28/46/1130782846.db2.gz ACFKJUCRZYHKIA-OWLYRPNTSA-N 2 1 294.442 3.897 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000783223251 1130803116 /nfs/dbraw/zinc/80/31/16/1130803116.db2.gz MMKVQCXCYGTSSA-MDZRGWNJSA-N 2 1 286.463 3.949 20 0 CHADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1cccc(-c2ccccc2)c1 ZINC001235926307 1130805789 /nfs/dbraw/zinc/80/57/89/1130805789.db2.gz XGKHQMHRUXBNKU-IBGZPJMESA-N 2 1 280.415 3.667 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CCC[C@H]3CC[NH3+])cc2)o1 ZINC001235925142 1130806639 /nfs/dbraw/zinc/80/66/39/1130806639.db2.gz CTGMKWUMOCRVMI-KRWDZBQOSA-N 2 1 284.403 3.568 20 0 CHADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001235926299 1130806777 /nfs/dbraw/zinc/80/67/77/1130806777.db2.gz WVXLAYTYQIWTLN-SFHVURJKSA-N 2 1 292.426 3.571 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000783243333 1130806891 /nfs/dbraw/zinc/80/68/91/1130806891.db2.gz MBCLUMIMOZUGDJ-BEFAXECRSA-N 2 1 298.430 3.800 20 0 CHADMP c1ccc([C@H]2CCC[N@H+](CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001235958797 1130816239 /nfs/dbraw/zinc/81/62/39/1130816239.db2.gz AIOWLICSKAAUBV-MJGOQNOKSA-N 2 1 286.463 3.646 20 0 CHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(C)cc3)cc2)C1 ZINC001236068958 1130846989 /nfs/dbraw/zinc/84/69/89/1130846989.db2.gz ZJPAMPXIALEFRH-GOSISDBHSA-N 2 1 294.442 3.703 20 0 CHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc3oc4ccccc4c3c2)C1 ZINC001236068878 1130847251 /nfs/dbraw/zinc/84/72/51/1130847251.db2.gz YATMZERMOKCRQX-HNNXBMFYSA-N 2 1 294.398 3.627 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CCC[NH2+][C@@H](C)C1 ZINC001236097552 1130860980 /nfs/dbraw/zinc/86/09/80/1130860980.db2.gz KUOBHPFBERJSGC-AWFCHZOYSA-N 2 1 252.446 3.587 20 0 CHADMP CC(C)[N@@H+](CCCC[NH3+])Cc1c(Cl)cccc1Cl ZINC001236111686 1130868012 /nfs/dbraw/zinc/86/80/12/1130868012.db2.gz WEZWFIQJMWNJOT-UHFFFAOYSA-N 2 1 289.250 3.943 20 0 CHADMP Cc1c(C[N@@H+](C)CCCC[NH3+])cccc1-c1ccccc1 ZINC001236142620 1130873570 /nfs/dbraw/zinc/87/35/70/1130873570.db2.gz YXDXDQHXJMFCKB-UHFFFAOYSA-N 2 1 282.431 3.833 20 0 CHADMP CC[N@H+](CC[NH3+])Cc1ccccc1-c1ccc(Cl)cc1 ZINC001236144876 1130876314 /nfs/dbraw/zinc/87/63/14/1130876314.db2.gz WALGMWLNIUWYNX-UHFFFAOYSA-N 2 1 288.822 3.788 20 0 CHADMP CC[N@@H+](CC[NH3+])Cc1ccccc1-c1ccc(Cl)cc1 ZINC001236144876 1130876317 /nfs/dbraw/zinc/87/63/17/1130876317.db2.gz WALGMWLNIUWYNX-UHFFFAOYSA-N 2 1 288.822 3.788 20 0 CHADMP CC1(C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)CC[NH2+]CC1 ZINC001236152724 1130876841 /nfs/dbraw/zinc/87/68/41/1130876841.db2.gz XICAWRRBJZMIHJ-INIZCTEOSA-N 2 1 292.854 3.867 20 0 CHADMP CCC[N@H+](Cc1cccc(C)c1Cl)C1CC[NH2+]CC1 ZINC001236185156 1130880521 /nfs/dbraw/zinc/88/05/21/1130880521.db2.gz YHKXVMMADQVUJY-UHFFFAOYSA-N 2 1 280.843 3.612 20 0 CHADMP CCC[N@@H+](Cc1cccc(C)c1Cl)C1CC[NH2+]CC1 ZINC001236185156 1130880524 /nfs/dbraw/zinc/88/05/24/1130880524.db2.gz YHKXVMMADQVUJY-UHFFFAOYSA-N 2 1 280.843 3.612 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]1c1c(F)cccc1F ZINC001236189286 1130881110 /nfs/dbraw/zinc/88/11/10/1130881110.db2.gz KRSAQUYJQAEJDK-OAHLLOKOSA-N 2 1 282.378 3.621 20 0 CHADMP CCCc1ccc(C[N@H+](CCC)C2CC[NH2+]CC2)cc1 ZINC001236182367 1130882509 /nfs/dbraw/zinc/88/25/09/1130882509.db2.gz MSQLKDBVRZHLBC-UHFFFAOYSA-N 2 1 274.452 3.603 20 0 CHADMP CC(C)c1cccc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC001236214071 1130890811 /nfs/dbraw/zinc/89/08/11/1130890811.db2.gz DUKJBQMQIXDRBZ-SJORKVTESA-N 2 1 260.425 3.512 20 0 CHADMP CC(C)c1cccc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC001236214071 1130890818 /nfs/dbraw/zinc/89/08/18/1130890818.db2.gz DUKJBQMQIXDRBZ-SJORKVTESA-N 2 1 260.425 3.512 20 0 CHADMP C[N@H+](Cc1c[nH]c2ccc(Cl)cc12)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236212949 1130891335 /nfs/dbraw/zinc/89/13/35/1130891335.db2.gz MWCLREHYNDGFBT-GDBMZVCRSA-N 2 1 291.826 3.523 20 0 CHADMP C[N@@H+](Cc1c[nH]c2ccc(Cl)cc12)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236212949 1130891339 /nfs/dbraw/zinc/89/13/39/1130891339.db2.gz MWCLREHYNDGFBT-GDBMZVCRSA-N 2 1 291.826 3.523 20 0 CHADMP C[N@@H+](Cc1cccc2sccc21)[C@H]1CCCC[C@H]1[NH3+] ZINC001236214544 1130891381 /nfs/dbraw/zinc/89/13/81/1130891381.db2.gz FSPQWLVATJOUPH-CABCVRRESA-N 2 1 274.433 3.603 20 0 CHADMP C[N@H+](Cc1c[nH]c2cccc(Cl)c12)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215323 1130891481 /nfs/dbraw/zinc/89/14/81/1130891481.db2.gz GVZXXGMGRZPGQZ-UKRRQHHQSA-N 2 1 291.826 3.523 20 0 CHADMP C[N@@H+](Cc1c[nH]c2cccc(Cl)c12)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215323 1130891485 /nfs/dbraw/zinc/89/14/85/1130891485.db2.gz GVZXXGMGRZPGQZ-UKRRQHHQSA-N 2 1 291.826 3.523 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(Cl)c(C)c2)CC1 ZINC001236213386 1130891630 /nfs/dbraw/zinc/89/16/30/1130891630.db2.gz RGRIEEBFJYFRTI-UHFFFAOYSA-N 2 1 280.843 3.611 20 0 CHADMP C[N@H+](Cc1c[nH]c2cc(Cl)ccc12)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217391 1130892933 /nfs/dbraw/zinc/89/29/33/1130892933.db2.gz OUSOCJBSSISPIC-HOCLYGCPSA-N 2 1 291.826 3.523 20 0 CHADMP C[N@@H+](Cc1c[nH]c2cc(Cl)ccc12)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217391 1130892939 /nfs/dbraw/zinc/89/29/39/1130892939.db2.gz OUSOCJBSSISPIC-HOCLYGCPSA-N 2 1 291.826 3.523 20 0 CHADMP C[N@@H+](Cc1ccc(F)c2ccccc12)[C@H]1CCCC[C@H]1[NH3+] ZINC001236220629 1130894325 /nfs/dbraw/zinc/89/43/25/1130894325.db2.gz ZCCSGZBJBALBQD-MSOLQXFVSA-N 2 1 286.394 3.681 20 0 CHADMP CC(C)c1ccc(CC[N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236222078 1130895110 /nfs/dbraw/zinc/89/51/10/1130895110.db2.gz KWTISLMCQQWVNX-IYARVYRRSA-N 2 1 274.452 3.554 20 0 CHADMP Cc1ccc(C[N@H+](C)C2(C)CC[NH2+]CC2)c2ccccc12 ZINC001236227067 1130896201 /nfs/dbraw/zinc/89/62/01/1130896201.db2.gz ZDDLJDAYPIFAOZ-UHFFFAOYSA-N 2 1 282.431 3.722 20 0 CHADMP C[N@@H+](C[C@H]1C[C@H]1c1ccc(Cl)cc1)C1(C)CC[NH2+]CC1 ZINC001236224026 1130897915 /nfs/dbraw/zinc/89/79/15/1130897915.db2.gz QHARYGCSLXVLCH-ZBFHGGJFSA-N 2 1 292.854 3.517 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236224252 1130898025 /nfs/dbraw/zinc/89/80/25/1130898025.db2.gz SDCVBWGZMCFJRH-SHTZXODSSA-N 2 1 280.843 3.659 20 0 CHADMP CC(C)c1ccccc1C[N@@H+](C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236224859 1130898046 /nfs/dbraw/zinc/89/80/46/1130898046.db2.gz YDRZEOPHKMYKGA-WKILWMFISA-N 2 1 260.425 3.512 20 0 CHADMP CC/C=C\CCCCCC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236313979 1130912075 /nfs/dbraw/zinc/91/20/75/1130912075.db2.gz CYHJZWPNIYIDQR-FEFURNDJSA-N 2 1 278.484 3.835 20 0 CHADMP CC(C)CCC[N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236400887 1130927617 /nfs/dbraw/zinc/92/76/17/1130927617.db2.gz IFGIHEFKJAYWOQ-UHFFFAOYSA-N 2 1 292.442 3.816 20 0 CHADMP CC[N@H+](Cc1ccc(-c2ccccc2)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236409231 1130931146 /nfs/dbraw/zinc/93/11/46/1130931146.db2.gz ZWBZBZIIILMVKE-GOSISDBHSA-N 2 1 294.442 3.785 20 0 CHADMP CC(C)=CCCC1=CC[C@@H](C[N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001236411150 1130931880 /nfs/dbraw/zinc/93/18/80/1130931880.db2.gz MYXBJKPMYYWSOL-YRXWBPOGSA-N 2 1 288.479 3.609 20 0 CHADMP C[N@H+]1CC[C@H](Nc2ccc(N3CCCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000796857043 1130940142 /nfs/dbraw/zinc/94/01/42/1130940142.db2.gz CAVJHSGIBYALDL-GBESFXJTSA-N 2 1 299.462 3.572 20 0 CHADMP CC[C@H](C)C[N@@H+](Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001236499693 1130957888 /nfs/dbraw/zinc/95/78/88/1130957888.db2.gz PNCFWGWQTWBPMV-ZDUSSCGKSA-N 2 1 296.405 3.565 20 0 CHADMP CCCCCC[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236540655 1130969028 /nfs/dbraw/zinc/96/90/28/1130969028.db2.gz IUFZLPMGTXKZIE-QAQDUYKDSA-N 2 1 266.473 3.939 20 0 CHADMP Cc1ccc(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c(F)c1 ZINC001236551266 1130973514 /nfs/dbraw/zinc/97/35/14/1130973514.db2.gz BHSUCKHIHJIMFS-QAQDUYKDSA-N 2 1 290.426 3.616 20 0 CHADMP CC(C)C[N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236549930 1130973919 /nfs/dbraw/zinc/97/39/19/1130973919.db2.gz DCPDNQKCRMBPTQ-QAQDUYKDSA-N 2 1 266.473 3.795 20 0 CHADMP CC(C)C[N@@H+](Cc1c[nH]c2ccccc12)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552332 1130975031 /nfs/dbraw/zinc/97/50/31/1130975031.db2.gz VBCPEJHCHRLWCU-QAQDUYKDSA-N 2 1 299.462 3.896 20 0 CHADMP C[C@@H](C[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1)c1ccccc1 ZINC001236572865 1130978127 /nfs/dbraw/zinc/97/81/27/1130978127.db2.gz VSHGGYYCOAFYSN-IEZWGBDMSA-N 2 1 286.463 3.915 20 0 CHADMP Cc1ccc([C@@H](C)CC[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)o1 ZINC001236584504 1130980333 /nfs/dbraw/zinc/98/03/33/1130980333.db2.gz FUJBVSVJJZDDLJ-HOCLYGCPSA-N 2 1 290.451 3.546 20 0 CHADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC001236606068 1130983712 /nfs/dbraw/zinc/98/37/12/1130983712.db2.gz ZBAMHPITSCCSSN-LJQANCHMSA-N 2 1 299.462 3.636 20 0 CHADMP Cc1cc(Cl)cc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c1 ZINC001236636392 1130987005 /nfs/dbraw/zinc/98/70/05/1130987005.db2.gz FGSPRXVWSPGYSR-UHFFFAOYSA-N 2 1 292.854 3.755 20 0 CHADMP CC[C@@H](C)C[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236681143 1130992742 /nfs/dbraw/zinc/99/27/42/1130992742.db2.gz CHFNLOLKPWBZKY-KBAYOESNSA-N 2 1 274.452 3.805 20 0 CHADMP CCC(=O)C(C)(C)C[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236769528 1131004351 /nfs/dbraw/zinc/00/43/51/1131004351.db2.gz XNMDSZLAMOUJJC-SHTZXODSSA-N 2 1 296.499 3.610 20 0 CHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3-c3cccs3)C[C@H]12 ZINC001236819766 1131014265 /nfs/dbraw/zinc/01/42/65/1131014265.db2.gz OEYZUQKRFQXZMY-HYVNUMGLSA-N 2 1 298.455 3.584 20 0 CHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3-c3ccccc3)C[C@@H]12 ZINC001236829892 1131015530 /nfs/dbraw/zinc/01/55/30/1131015530.db2.gz LJWWNQDYLPKSGV-MISYRCLQSA-N 2 1 292.426 3.523 20 0 CHADMP CCC[N@@H+](CCCC1CCCCC1)C[C@@H]1CC[NH2+]C1 ZINC001236827780 1131015731 /nfs/dbraw/zinc/01/57/31/1131015731.db2.gz GPOUNGWACPEDBY-QGZVFWFLSA-N 2 1 266.473 3.668 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC001236826924 1131016191 /nfs/dbraw/zinc/01/61/91/1131016191.db2.gz DCJWIGFMMIJUIZ-CGTJXYLNSA-N 2 1 286.463 3.543 20 0 CHADMP CCC[N@@H+](C[C@@H](C)CCC=C(C)C)C[C@@H]1CC[NH2+]C1 ZINC001236827754 1131017473 /nfs/dbraw/zinc/01/74/73/1131017473.db2.gz GOFBZGFJALAJAY-DLBZAZTESA-N 2 1 266.473 3.690 20 0 CHADMP CCC[N@@H+](CCC(C)(C)c1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC001236829969 1131017048 /nfs/dbraw/zinc/01/70/48/1131017048.db2.gz MBTRKLYYYZRRBA-QGZVFWFLSA-N 2 1 288.479 3.676 20 0 CHADMP CCC[N@H+](Cc1cccc2ccccc21)C[C@@H]1CC[NH2+]C1 ZINC001236836292 1131018869 /nfs/dbraw/zinc/01/88/69/1131018869.db2.gz UPYPYXSMRRUPQS-MRXNPFEDSA-N 2 1 282.431 3.661 20 0 CHADMP CCC[N@@H+](Cc1scc(C)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001236835867 1131019420 /nfs/dbraw/zinc/01/94/20/1131019420.db2.gz QDTQSYLXJUEUAO-LBPRGKRZSA-N 2 1 286.872 3.531 20 0 CHADMP CCC[N@H+](Cc1scc(C)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001236835867 1131019427 /nfs/dbraw/zinc/01/94/27/1131019427.db2.gz QDTQSYLXJUEUAO-LBPRGKRZSA-N 2 1 286.872 3.531 20 0 CHADMP CCC[N@H+](Cc1cccc2sccc21)C[C@H]1CC[NH2+]C1 ZINC001236845088 1131021807 /nfs/dbraw/zinc/02/18/07/1131021807.db2.gz YRNOGRIAORJKSZ-AWEZNQCLSA-N 2 1 288.460 3.723 20 0 CHADMP C[C@H]([NH3+])C[N@H+](C)Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001236894971 1131028465 /nfs/dbraw/zinc/02/84/65/1131028465.db2.gz HNUFIYXQVJUUTG-AWEZNQCLSA-N 2 1 293.414 3.614 20 0 CHADMP C[C@H]([NH3+])C[N@@H+](C)Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001236894971 1131028471 /nfs/dbraw/zinc/02/84/71/1131028471.db2.gz HNUFIYXQVJUUTG-AWEZNQCLSA-N 2 1 293.414 3.614 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001237083183 1131046577 /nfs/dbraw/zinc/04/65/77/1131046577.db2.gz WXDJPAMDNUNLAN-GOSISDBHSA-N 2 1 272.436 3.515 20 0 CHADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)cc(Cl)c1 ZINC001237081999 1131047681 /nfs/dbraw/zinc/04/76/81/1131047681.db2.gz OLUHUURONYNHCO-BWXMKOSVSA-N 2 1 299.245 3.695 20 0 CHADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)cc1Cl ZINC001237082789 1131047748 /nfs/dbraw/zinc/04/77/48/1131047748.db2.gz SUTKSTCVFACOFP-FTNCPSPGSA-N 2 1 299.245 3.695 20 0 CHADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2ccccc2c1 ZINC001237080719 1131047773 /nfs/dbraw/zinc/04/77/73/1131047773.db2.gz IFEVWHJBOUMAMV-QNBRMCRTSA-N 2 1 280.415 3.542 20 0 CHADMP c1cc2cccc(C[N@H+](C3CCC3)[C@H]3CCC[NH2+]C3)c2o1 ZINC001237155274 1131059365 /nfs/dbraw/zinc/05/93/65/1131059365.db2.gz IAHQDPUDZZOSFZ-KRWDZBQOSA-N 2 1 284.403 3.539 20 0 CHADMP c1cc2cccc(C[N@@H+](C3CCC3)[C@H]3CCC[NH2+]C3)c2o1 ZINC001237155274 1131059368 /nfs/dbraw/zinc/05/93/68/1131059368.db2.gz IAHQDPUDZZOSFZ-KRWDZBQOSA-N 2 1 284.403 3.539 20 0 CHADMP Cc1cc(C)c(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1C ZINC001237156113 1131059900 /nfs/dbraw/zinc/05/99/00/1131059900.db2.gz OFTFEUGXKDGYNH-LJQANCHMSA-N 2 1 286.463 3.718 20 0 CHADMP Cc1cc(C)c(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1C ZINC001237156113 1131059905 /nfs/dbraw/zinc/05/99/05/1131059905.db2.gz OFTFEUGXKDGYNH-LJQANCHMSA-N 2 1 286.463 3.718 20 0 CHADMP C[N@@H+](CCC[NH2+]C1CCCCC1)[C@H]1CCc2ccccc21 ZINC001237258273 1131074418 /nfs/dbraw/zinc/07/44/18/1131074418.db2.gz LBCJKQBIXLHPKA-IBGZPJMESA-N 2 1 286.463 3.918 20 0 CHADMP CC(C)(C)c1cccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237402902 1131094347 /nfs/dbraw/zinc/09/43/47/1131094347.db2.gz JIRDMXLWNGTBMW-FUHWJXTLSA-N 2 1 286.463 3.558 20 0 CHADMP CC(C)(C)c1cccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237402902 1131094351 /nfs/dbraw/zinc/09/43/51/1131094351.db2.gz JIRDMXLWNGTBMW-FUHWJXTLSA-N 2 1 286.463 3.558 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237411149 1131097607 /nfs/dbraw/zinc/09/76/07/1131097607.db2.gz GBRHVILTJIBNFG-YOEHRIQHSA-N 2 1 292.854 3.531 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237411149 1131097614 /nfs/dbraw/zinc/09/76/14/1131097614.db2.gz GBRHVILTJIBNFG-YOEHRIQHSA-N 2 1 292.854 3.531 20 0 CHADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cccc(C(C)C)c3)C[C@H]2C1 ZINC001237460832 1131101650 /nfs/dbraw/zinc/10/16/50/1131101650.db2.gz YSIXAVFFEONPLK-RTBURBONSA-N 2 1 286.463 3.584 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1SC(C)(C)C ZINC000817936986 1131187780 /nfs/dbraw/zinc/18/77/80/1131187780.db2.gz STWGETQMPGIJLI-CYBMUJFWSA-N 2 1 292.492 3.980 20 0 CHADMP Cc1cccc(C)c1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000817908048 1131188467 /nfs/dbraw/zinc/18/84/67/1131188467.db2.gz MQGASSUQYHSNTC-ZWKOTPCHSA-N 2 1 266.388 3.538 20 0 CHADMP CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)C1CCCC1 ZINC000823737031 1131439566 /nfs/dbraw/zinc/43/95/66/1131439566.db2.gz RIKNENXSFVRYOG-NVXWUHKLSA-N 2 1 266.473 3.667 20 0 CHADMP Cc1cc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cs1 ZINC000824383535 1131467658 /nfs/dbraw/zinc/46/76/58/1131467658.db2.gz PRTDGOYEMZUNPH-UHFFFAOYSA-N 2 1 288.460 3.750 20 0 CHADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC001246334033 1131474498 /nfs/dbraw/zinc/47/44/98/1131474498.db2.gz XAAXRAGAZXBRGO-ZBFHGGJFSA-N 2 1 264.457 3.610 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2C)cc1 ZINC001138547073 1131518178 /nfs/dbraw/zinc/51/81/78/1131518178.db2.gz DPKPYVGFQXNDQZ-HUUCEWRRSA-N 2 1 283.419 3.801 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C)cc1 ZINC001138547073 1131518182 /nfs/dbraw/zinc/51/81/82/1131518182.db2.gz DPKPYVGFQXNDQZ-HUUCEWRRSA-N 2 1 283.419 3.801 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC001138544794 1131518805 /nfs/dbraw/zinc/51/88/05/1131518805.db2.gz PFQIKNMNZNTNIL-HDICACEKSA-N 2 1 295.430 3.803 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC001138544794 1131518808 /nfs/dbraw/zinc/51/88/08/1131518808.db2.gz PFQIKNMNZNTNIL-HDICACEKSA-N 2 1 295.430 3.803 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)cc1 ZINC001138543957 1131519329 /nfs/dbraw/zinc/51/93/29/1131519329.db2.gz AGDNPGVYYDMMKM-ROUUACIJSA-N 2 1 295.430 3.803 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)cc1 ZINC001138543957 1131519332 /nfs/dbraw/zinc/51/93/32/1131519332.db2.gz AGDNPGVYYDMMKM-ROUUACIJSA-N 2 1 295.430 3.803 20 0 CHADMP Cc1nccn1-c1ccc(C[N@H+]2CCCC3(CCC3)C2)cc1 ZINC001138550416 1131520379 /nfs/dbraw/zinc/52/03/79/1131520379.db2.gz SHAJUFOOEPSALI-UHFFFAOYSA-N 2 1 295.430 3.947 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCCC3(CCC3)C2)cc1 ZINC001138550416 1131520382 /nfs/dbraw/zinc/52/03/82/1131520382.db2.gz SHAJUFOOEPSALI-UHFFFAOYSA-N 2 1 295.430 3.947 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCCC3(CCC3)C2)cc1 ZINC001138550416 1131520383 /nfs/dbraw/zinc/52/03/83/1131520383.db2.gz SHAJUFOOEPSALI-UHFFFAOYSA-N 2 1 295.430 3.947 20 0 CHADMP CCCC[N@@H+](CCC)Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138771656 1131549163 /nfs/dbraw/zinc/54/91/63/1131549163.db2.gz XUYXAFZADKXJEW-UHFFFAOYSA-N 2 1 292.467 3.639 20 0 CHADMP CC[C@H]1CC([N@@H+](C)Cc2cccc(C)c2)C[C@H](CC)[NH2+]1 ZINC001246523484 1131549992 /nfs/dbraw/zinc/54/99/92/1131549992.db2.gz BPWVSLCNHSENOJ-IRXDYDNUSA-N 2 1 274.452 3.736 20 0 CHADMP CCn1ccc2c1cccc2CN1CCC([N@@H+](C)CC)CC1 ZINC001139156263 1131587845 /nfs/dbraw/zinc/58/78/45/1131587845.db2.gz ZKQCYNRZBXEJCB-UHFFFAOYSA-N 2 1 299.462 3.577 20 0 CHADMP CCn1ccc2c1cccc2C[NH+]1CCC([N@H+](C)CC)CC1 ZINC001139156263 1131587849 /nfs/dbraw/zinc/58/78/49/1131587849.db2.gz ZKQCYNRZBXEJCB-UHFFFAOYSA-N 2 1 299.462 3.577 20 0 CHADMP CCn1ccc2c1cccc2C[NH+]1CCC([N@@H+](C)CC)CC1 ZINC001139156263 1131587854 /nfs/dbraw/zinc/58/78/54/1131587854.db2.gz ZKQCYNRZBXEJCB-UHFFFAOYSA-N 2 1 299.462 3.577 20 0 CHADMP C[C@]1(F)CCCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC001139356340 1131604077 /nfs/dbraw/zinc/60/40/77/1131604077.db2.gz KIEUIZFOBPOXDL-KRWDZBQOSA-N 2 1 287.382 3.586 20 0 CHADMP CCCCC[C@H](CCC)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001246550740 1131606212 /nfs/dbraw/zinc/60/62/12/1131606212.db2.gz KRJSLTHIMITOKD-PMPSAXMXSA-N 2 1 254.462 3.652 20 0 CHADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1[C@H]1CCCC2(CCCCC2)C1 ZINC001246565109 1131630867 /nfs/dbraw/zinc/63/08/67/1131630867.db2.gz OORMQGCWPDPDOL-ZACQAIPSSA-N 2 1 278.484 3.939 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246570722 1131643285 /nfs/dbraw/zinc/64/32/85/1131643285.db2.gz UWCCBNLRTUPGLN-QAETUUGQSA-N 2 1 268.489 3.898 20 0 CHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CC(C)(C)C1 ZINC001246581320 1131685372 /nfs/dbraw/zinc/68/53/72/1131685372.db2.gz YWSLJBXHGJARAK-BFYDXBDKSA-N 2 1 266.473 3.652 20 0 CHADMP CC(C)[N@@H+](CCCCCC[NH3+])Cc1cccc(F)c1 ZINC000846218236 1131701984 /nfs/dbraw/zinc/70/19/84/1131701984.db2.gz LJJPPKZNGVMBNM-UHFFFAOYSA-N 2 1 266.404 3.555 20 0 CHADMP CC[C@@H]1CC[C@H]([N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)C1 ZINC001246603004 1131714616 /nfs/dbraw/zinc/71/46/16/1131714616.db2.gz LFQGXMIIHYVAAZ-SQNIBIBYSA-N 2 1 278.484 3.811 20 0 CHADMP CCC[C@@H]1CCCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000834903301 1131726420 /nfs/dbraw/zinc/72/64/20/1131726420.db2.gz OAUDPZPUBWRWFH-CIQAELJKSA-N 2 1 278.484 3.808 20 0 CHADMP CCC[C@H]1CCCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000834903307 1131726970 /nfs/dbraw/zinc/72/69/70/1131726970.db2.gz OAUDPZPUBWRWFH-DUQJVZAFSA-N 2 1 278.484 3.808 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246643980 1131769458 /nfs/dbraw/zinc/76/94/58/1131769458.db2.gz OQEQBEJVUPLEET-ULQDDVLXSA-N 2 1 266.473 3.809 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246643980 1131769463 /nfs/dbraw/zinc/76/94/63/1131769463.db2.gz OQEQBEJVUPLEET-ULQDDVLXSA-N 2 1 266.473 3.809 20 0 CHADMP CC[N@@H+](CCCNCc1ccc(C)o1)C1CCCCC1 ZINC001203043426 1131775101 /nfs/dbraw/zinc/77/51/01/1131775101.db2.gz PUIYCLOLYSSTDW-UHFFFAOYSA-N 2 1 278.440 3.722 20 0 CHADMP CCCCCC[C@H](CCC)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001246648512 1131776980 /nfs/dbraw/zinc/77/69/80/1131776980.db2.gz LZCWUATYXZGUAO-IRXDYDNUSA-N 2 1 266.473 3.953 20 0 CHADMP C[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCCC2(CCCCC2)C1 ZINC001246682598 1131781237 /nfs/dbraw/zinc/78/12/37/1131781237.db2.gz WHHWUDXTWVIRLD-KRWDZBQOSA-N 2 1 278.484 3.811 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC001246683183 1131782201 /nfs/dbraw/zinc/78/22/01/1131782201.db2.gz ZXPMXXSRBJRNBV-GJZGRUSLSA-N 2 1 254.462 3.523 20 0 CHADMP CC[C@@H]1CC([N@H+]2CCC3(CCCC3)C2)C[C@@H](CC)[NH2+]1 ZINC001246809740 1131783459 /nfs/dbraw/zinc/78/34/59/1131783459.db2.gz XTLKPSWRPVDTQP-HUUCEWRRSA-N 2 1 264.457 3.562 20 0 CHADMP CC[C@@H]1CC([N@@H+]2CCC[C@@H]3CCC[C@@H]32)C[C@@H](CC)[NH2+]1 ZINC001246819815 1131785350 /nfs/dbraw/zinc/78/53/50/1131785350.db2.gz KGOYGVFCENPQNR-HWMZRRJGSA-N 2 1 264.457 3.560 20 0 CHADMP CC[C@@H]1CC([N@H+]2CCC[C@@H]3CCC[C@@H]32)C[C@@H](CC)[NH2+]1 ZINC001246819815 1131785356 /nfs/dbraw/zinc/78/53/56/1131785356.db2.gz KGOYGVFCENPQNR-HWMZRRJGSA-N 2 1 264.457 3.560 20 0 CHADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCC(C(C)(C)C)CC1 ZINC001246945925 1131827743 /nfs/dbraw/zinc/82/77/43/1131827743.db2.gz YNCGJYJDHHATGJ-QQFBHYJXSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@@H]1CC[C@@H]([N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001246966517 1131830595 /nfs/dbraw/zinc/83/05/95/1131830595.db2.gz UXDCVWIJBDUGIP-MWQQHZPXSA-N 2 1 264.457 3.547 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001247004245 1131839536 /nfs/dbraw/zinc/83/95/36/1131839536.db2.gz RHXCICBBELGLAC-HRCADAONSA-N 2 1 254.462 3.652 20 0 CHADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001247004251 1131840941 /nfs/dbraw/zinc/84/09/41/1131840941.db2.gz RHXCICBBELGLAC-XHSDSOJGSA-N 2 1 254.462 3.652 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001140803137 1131926919 /nfs/dbraw/zinc/92/69/19/1131926919.db2.gz LHNJOVFNHWYCCC-MRXNPFEDSA-N 2 1 291.398 3.943 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001140803137 1131926923 /nfs/dbraw/zinc/92/69/23/1131926923.db2.gz LHNJOVFNHWYCCC-MRXNPFEDSA-N 2 1 291.398 3.943 20 0 CHADMP c1nc2cc[nH]cc-2c1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001140805865 1131927946 /nfs/dbraw/zinc/92/79/46/1131927946.db2.gz OOTAXEHWHWRJDR-ZIAGYGMSSA-N 2 1 269.392 3.575 20 0 CHADMP c1[nH]c2ccncc2c1C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001140805865 1131927953 /nfs/dbraw/zinc/92/79/53/1131927953.db2.gz OOTAXEHWHWRJDR-ZIAGYGMSSA-N 2 1 269.392 3.575 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001140805865 1131927961 /nfs/dbraw/zinc/92/79/61/1131927961.db2.gz OOTAXEHWHWRJDR-ZIAGYGMSSA-N 2 1 269.392 3.575 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001140805865 1131927966 /nfs/dbraw/zinc/92/79/66/1131927966.db2.gz OOTAXEHWHWRJDR-ZIAGYGMSSA-N 2 1 269.392 3.575 20 0 CHADMP c1nc2cc[nH]cc-2c1C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001140805995 1131928645 /nfs/dbraw/zinc/92/86/45/1131928645.db2.gz SZXRJANTGYZNGR-DYVFJYSZSA-N 2 1 269.392 3.718 20 0 CHADMP c1[nH]c2ccncc2c1C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001140805995 1131928650 /nfs/dbraw/zinc/92/86/50/1131928650.db2.gz SZXRJANTGYZNGR-DYVFJYSZSA-N 2 1 269.392 3.718 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001140805995 1131928662 /nfs/dbraw/zinc/92/86/62/1131928662.db2.gz SZXRJANTGYZNGR-DYVFJYSZSA-N 2 1 269.392 3.718 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001140805995 1131928668 /nfs/dbraw/zinc/92/86/68/1131928668.db2.gz SZXRJANTGYZNGR-DYVFJYSZSA-N 2 1 269.392 3.718 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@H](CC)c2ccccc2OC)CC1 ZINC000036995034 1131986815 /nfs/dbraw/zinc/98/68/15/1131986815.db2.gz MYWYAQQAGHKHBJ-QGZVFWFLSA-N 2 1 290.451 3.610 20 0 CHADMP CCCCC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000037256144 1132026200 /nfs/dbraw/zinc/02/62/00/1132026200.db2.gz JQBNQAIFQXQADW-GOSISDBHSA-N 2 1 274.452 3.992 20 0 CHADMP C=C/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716703099 1132030651 /nfs/dbraw/zinc/03/06/51/1132030651.db2.gz XNQITIVWFZXMOE-WKAYRIQESA-N 2 1 296.458 3.761 20 0 CHADMP C[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171966238 1132113184 /nfs/dbraw/zinc/11/31/84/1132113184.db2.gz UIIKBRNGINFUHC-BPQIPLTHSA-N 2 1 286.463 3.675 20 0 CHADMP CC1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171966741 1132113479 /nfs/dbraw/zinc/11/34/79/1132113479.db2.gz WJXMAVKVSLTVDT-INIZCTEOSA-N 2 1 272.436 3.572 20 0 CHADMP CC1(C)C[C@@H]([NH+]2C[C@H]3CC[C@@H]2C3)CC[N@@H+]1Cc1ccccc1 ZINC001171988915 1132115789 /nfs/dbraw/zinc/11/57/89/1132115789.db2.gz XFTNSCFQMOWIJL-OTWHNJEPSA-N 2 1 298.474 3.914 20 0 CHADMP CC1(C)C[C@@H]([NH+]2C[C@H]3CC[C@@H]2C3)CC[N@H+]1Cc1ccccc1 ZINC001171988915 1132115793 /nfs/dbraw/zinc/11/57/93/1132115793.db2.gz XFTNSCFQMOWIJL-OTWHNJEPSA-N 2 1 298.474 3.914 20 0 CHADMP CC1(C)C[C@@H]([N@@H+]2C[C@H]3CC[C@@H]2C3)CC[NH+]1Cc1ccccc1 ZINC001171988915 1132115796 /nfs/dbraw/zinc/11/57/96/1132115796.db2.gz XFTNSCFQMOWIJL-OTWHNJEPSA-N 2 1 298.474 3.914 20 0 CHADMP CC1(C)C[C@@H]([N@H+]2C[C@H]3CC[C@@H]2C3)CC[NH+]1Cc1ccccc1 ZINC001171988915 1132115798 /nfs/dbraw/zinc/11/57/98/1132115798.db2.gz XFTNSCFQMOWIJL-OTWHNJEPSA-N 2 1 298.474 3.914 20 0 CHADMP CCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976949 1132117821 /nfs/dbraw/zinc/11/78/21/1132117821.db2.gz PBFAZASAIHMPPL-KRWDZBQOSA-N 2 1 274.452 3.771 20 0 CHADMP CCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976949 1132117823 /nfs/dbraw/zinc/11/78/23/1132117823.db2.gz PBFAZASAIHMPPL-KRWDZBQOSA-N 2 1 274.452 3.771 20 0 CHADMP CCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976949 1132117825 /nfs/dbraw/zinc/11/78/25/1132117825.db2.gz PBFAZASAIHMPPL-KRWDZBQOSA-N 2 1 274.452 3.771 20 0 CHADMP CC1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC1 ZINC001171969581 1132118018 /nfs/dbraw/zinc/11/80/18/1132118018.db2.gz VIDWAKBRLLVOBH-KRWDZBQOSA-N 2 1 286.463 3.962 20 0 CHADMP CC1(C)C[C@@H]([NH+]2CCC3(CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171981864 1132118988 /nfs/dbraw/zinc/11/89/88/1132118988.db2.gz ODLOARNCCHGNKB-SFHVURJKSA-N 2 1 298.474 3.916 20 0 CHADMP CC1(C)C[C@@H]([N@@H+]2CCC3(CC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171981864 1132118994 /nfs/dbraw/zinc/11/89/94/1132118994.db2.gz ODLOARNCCHGNKB-SFHVURJKSA-N 2 1 298.474 3.916 20 0 CHADMP CC1(C)C[C@@H]([N@H+]2CCC3(CC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171981864 1132118997 /nfs/dbraw/zinc/11/89/97/1132118997.db2.gz ODLOARNCCHGNKB-SFHVURJKSA-N 2 1 298.474 3.916 20 0 CHADMP CC1(C)C[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982306 1132119289 /nfs/dbraw/zinc/11/92/89/1132119289.db2.gz HFKLVYBOMFYGJG-IRXDYDNUSA-N 2 1 286.463 3.818 20 0 CHADMP CC1(C)C[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077960 1132122807 /nfs/dbraw/zinc/12/28/07/1132122807.db2.gz VZTKABHBAJTKRA-OKYOBFRVSA-N 2 1 298.474 3.960 20 0 CHADMP CC[NH+](CC)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172079994 1132123143 /nfs/dbraw/zinc/12/31/43/1132123143.db2.gz RVYQXRPPEIRKSK-BWTSREIZSA-N 2 1 286.463 3.914 20 0 CHADMP CC[NH+](CC)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172079994 1132123147 /nfs/dbraw/zinc/12/31/47/1132123147.db2.gz RVYQXRPPEIRKSK-BWTSREIZSA-N 2 1 286.463 3.914 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172100551 1132124391 /nfs/dbraw/zinc/12/43/91/1132124391.db2.gz DYOIEYYOWBZRQX-DDBAPUKQSA-N 2 1 272.436 3.661 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172100551 1132124396 /nfs/dbraw/zinc/12/43/96/1132124396.db2.gz DYOIEYYOWBZRQX-DDBAPUKQSA-N 2 1 272.436 3.661 20 0 CHADMP CC(C)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069644 1132124633 /nfs/dbraw/zinc/12/46/33/1132124633.db2.gz WHDRTPUKMXGTCQ-REPLKXPHSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172069294 1132125054 /nfs/dbraw/zinc/12/50/54/1132125054.db2.gz OTKKVQJDUCTQIQ-FFGOWVMKSA-N 2 1 298.474 3.914 20 0 CHADMP C[C@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172069294 1132125057 /nfs/dbraw/zinc/12/50/57/1132125057.db2.gz OTKKVQJDUCTQIQ-FFGOWVMKSA-N 2 1 298.474 3.914 20 0 CHADMP C[C@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172069294 1132125062 /nfs/dbraw/zinc/12/50/62/1132125062.db2.gz OTKKVQJDUCTQIQ-FFGOWVMKSA-N 2 1 298.474 3.914 20 0 CHADMP C[C@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172069294 1132125066 /nfs/dbraw/zinc/12/50/66/1132125066.db2.gz OTKKVQJDUCTQIQ-FFGOWVMKSA-N 2 1 298.474 3.914 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)c1ccccc1)C2 ZINC001172100718 1132125310 /nfs/dbraw/zinc/12/53/10/1132125310.db2.gz RVGDBIFAVKFPRT-BJWYYQGGSA-N 2 1 272.436 3.527 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)c1ccccc1)C2 ZINC001172100718 1132125311 /nfs/dbraw/zinc/12/53/11/1132125311.db2.gz RVGDBIFAVKFPRT-BJWYYQGGSA-N 2 1 272.436 3.527 20 0 CHADMP CC(C)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069643 1132125599 /nfs/dbraw/zinc/12/55/99/1132125599.db2.gz WHDRTPUKMXGTCQ-LDLYASANSA-N 2 1 286.463 3.818 20 0 CHADMP CCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069776 1132125929 /nfs/dbraw/zinc/12/59/29/1132125929.db2.gz XBWIYSYCYUEJJB-REPLKXPHSA-N 2 1 286.463 3.962 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc3ccccc31)C2 ZINC001172100095 1132126223 /nfs/dbraw/zinc/12/62/23/1132126223.db2.gz MUZCWVNFTOBDCM-LDLYASANSA-N 2 1 294.442 3.945 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(F)c1Cl)C2 ZINC001172104548 1132129122 /nfs/dbraw/zinc/12/91/22/1132129122.db2.gz CPPQQQBFJRHCSB-BTTYYORXSA-N 2 1 296.817 3.584 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(F)c1Cl)C2 ZINC001172104548 1132129125 /nfs/dbraw/zinc/12/91/25/1132129125.db2.gz CPPQQQBFJRHCSB-BTTYYORXSA-N 2 1 296.817 3.584 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc3occc3c1)C2 ZINC001172104340 1132129584 /nfs/dbraw/zinc/12/95/84/1132129584.db2.gz DYJOFRKSMIDAEX-BJWYYQGGSA-N 2 1 284.403 3.538 20 0 CHADMP Cc1ccc(C2([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001172107459 1132130294 /nfs/dbraw/zinc/13/02/94/1132130294.db2.gz XVHGHGHWKIBFDP-BCDXTJNWSA-N 2 1 284.447 3.589 20 0 CHADMP Cc1ccc(C2([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001172107459 1132130298 /nfs/dbraw/zinc/13/02/98/1132130298.db2.gz XVHGHGHWKIBFDP-BCDXTJNWSA-N 2 1 284.447 3.589 20 0 CHADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1F ZINC001172104331 1132130811 /nfs/dbraw/zinc/13/08/11/1132130811.db2.gz DXKRDXCWDWTJQQ-MHEUCROKSA-N 2 1 294.389 3.631 20 0 CHADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1F ZINC001172104331 1132130814 /nfs/dbraw/zinc/13/08/14/1132130814.db2.gz DXKRDXCWDWTJQQ-MHEUCROKSA-N 2 1 294.389 3.631 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1C ZINC001172118611 1132132076 /nfs/dbraw/zinc/13/20/76/1132132076.db2.gz SDEMAWLJCUNUSZ-DSLXNQLJSA-N 2 1 286.463 3.969 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C ZINC001172118611 1132132079 /nfs/dbraw/zinc/13/20/79/1132132079.db2.gz SDEMAWLJCUNUSZ-DSLXNQLJSA-N 2 1 286.463 3.969 20 0 CHADMP C[C@H](CC1CCCCC1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172112931 1132132355 /nfs/dbraw/zinc/13/23/55/1132132355.db2.gz AWYZWVUKNYTGLT-NRSFXHEJSA-N 2 1 278.484 3.950 20 0 CHADMP C[C@H](CC1CCCCC1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112931 1132132361 /nfs/dbraw/zinc/13/23/61/1132132361.db2.gz AWYZWVUKNYTGLT-NRSFXHEJSA-N 2 1 278.484 3.950 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)C1CCCCC1)C2 ZINC001172113483 1132132389 /nfs/dbraw/zinc/13/23/89/1132132389.db2.gz HRMSUQJVRXTMCC-OSYLJGHBSA-N 2 1 278.484 3.950 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)C1CCCCC1)C2 ZINC001172113483 1132132393 /nfs/dbraw/zinc/13/23/93/1132132393.db2.gz HRMSUQJVRXTMCC-OSYLJGHBSA-N 2 1 278.484 3.950 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)c1ccc(F)cc1)C2 ZINC001172114772 1132133160 /nfs/dbraw/zinc/13/31/60/1132133160.db2.gz QADTYRULSDEWLH-OSYLJGHBSA-N 2 1 290.426 3.666 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)c1ccc(F)cc1)C2 ZINC001172114772 1132133164 /nfs/dbraw/zinc/13/31/64/1132133164.db2.gz QADTYRULSDEWLH-OSYLJGHBSA-N 2 1 290.426 3.666 20 0 CHADMP CCC[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccncc1 ZINC001172113602 1132133191 /nfs/dbraw/zinc/13/31/91/1132133191.db2.gz DSRNFHWLIDSUEK-XMTFNYHQSA-N 2 1 287.451 3.528 20 0 CHADMP CCC[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC001172113602 1132133193 /nfs/dbraw/zinc/13/31/93/1132133193.db2.gz DSRNFHWLIDSUEK-XMTFNYHQSA-N 2 1 287.451 3.528 20 0 CHADMP CCC[N@H+]([C@@H](C)CC)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172114217 1132133852 /nfs/dbraw/zinc/13/38/52/1132133852.db2.gz PKJSXDJKWYWMQE-CAOSSQGBSA-N 2 1 252.446 3.512 20 0 CHADMP CCC[N@@H+]([C@@H](C)CC)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172114217 1132133856 /nfs/dbraw/zinc/13/38/56/1132133856.db2.gz PKJSXDJKWYWMQE-CAOSSQGBSA-N 2 1 252.446 3.512 20 0 CHADMP CCC[NH+]([C@@H](C)CC)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172114217 1132133860 /nfs/dbraw/zinc/13/38/60/1132133860.db2.gz PKJSXDJKWYWMQE-CAOSSQGBSA-N 2 1 252.446 3.512 20 0 CHADMP CCC[NH+]([C@@H](C)CC)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172114217 1132133863 /nfs/dbraw/zinc/13/38/63/1132133863.db2.gz PKJSXDJKWYWMQE-CAOSSQGBSA-N 2 1 252.446 3.512 20 0 CHADMP CCCC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172123028 1132135895 /nfs/dbraw/zinc/13/58/95/1132135895.db2.gz XDKPZBGTCVEWOL-BJWYYQGGSA-N 2 1 264.457 3.514 20 0 CHADMP CCCC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172123028 1132135896 /nfs/dbraw/zinc/13/58/96/1132135896.db2.gz XDKPZBGTCVEWOL-BJWYYQGGSA-N 2 1 264.457 3.514 20 0 CHADMP CCCCCC[C@@H](CCC)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001172380185 1132171097 /nfs/dbraw/zinc/17/10/97/1132171097.db2.gz ZPEYSDMHRSRTLL-JKSUJKDBSA-N 2 1 254.462 3.667 20 0 CHADMP C[C@@H]1CC[C@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H]1C ZINC001172366992 1132191726 /nfs/dbraw/zinc/19/17/26/1132191726.db2.gz FAUZZIQDJZXELA-TWPTVVAISA-N 2 1 278.484 3.793 20 0 CHADMP C[C@@H]1CC[C@H]([N@H+]2CCCC[C@@H](CCC[NH3+])C2)C[C@H]1C ZINC001172366843 1132191788 /nfs/dbraw/zinc/19/17/88/1132191788.db2.gz HTJGEPXCZBAGNH-NCOADZHNSA-N 2 1 266.473 3.652 20 0 CHADMP CCCCCC[C@@H](CCCC)[NH2+]C1CC[NH+](CCO)CC1 ZINC001172515408 1132260247 /nfs/dbraw/zinc/26/02/47/1132260247.db2.gz AHAKOPJBNRIPKQ-QGZVFWFLSA-N 2 1 298.515 3.562 20 0 CHADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172549941 1132261403 /nfs/dbraw/zinc/26/14/03/1132261403.db2.gz ROKIESCWPFKZAQ-YSTOQKLRSA-N 2 1 298.474 3.596 20 0 CHADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(-c2cccs2)cc1 ZINC001231429369 1132294548 /nfs/dbraw/zinc/29/45/48/1132294548.db2.gz IBDAMBFPCNRQIX-UHFFFAOYSA-N 2 1 288.460 3.799 20 0 CHADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(-c2cccs2)cc1 ZINC001231429369 1132294553 /nfs/dbraw/zinc/29/45/53/1132294553.db2.gz IBDAMBFPCNRQIX-UHFFFAOYSA-N 2 1 288.460 3.799 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001142371687 1132377606 /nfs/dbraw/zinc/37/76/06/1132377606.db2.gz AIKHCNABQBIEHF-UHFFFAOYSA-N 2 1 282.431 3.674 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001142371687 1132377614 /nfs/dbraw/zinc/37/76/14/1132377614.db2.gz AIKHCNABQBIEHF-UHFFFAOYSA-N 2 1 282.431 3.674 20 0 CHADMP CC[NH+](CC)C1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001173111944 1132393779 /nfs/dbraw/zinc/39/37/79/1132393779.db2.gz OBMNQVAGNDNTNX-UHFFFAOYSA-N 2 1 292.442 3.911 20 0 CHADMP CC[NH+](CC)C1CCC([N@@H+]2CCn3cccc3[C@@H]2C)CC1 ZINC001173113512 1132394838 /nfs/dbraw/zinc/39/48/38/1132394838.db2.gz RQUTXBYTEYERTA-GTPINHCMSA-N 2 1 289.467 3.518 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCn3cccc3[C@@H]2C)CC1 ZINC001173113512 1132394845 /nfs/dbraw/zinc/39/48/45/1132394845.db2.gz RQUTXBYTEYERTA-GTPINHCMSA-N 2 1 289.467 3.518 20 0 CHADMP CN1CCC[C@H]2C[N@H+](C3CCC4(CCCCC4)CC3)C[C@@H]21 ZINC001173121546 1132401351 /nfs/dbraw/zinc/40/13/51/1132401351.db2.gz RRHAMAFPCSVODY-WMZOPIPTSA-N 2 1 290.495 3.906 20 0 CHADMP c1cn2c([nH+]1)CC[N@H+](C1CCC3(CCCCC3)CC1)CC2 ZINC001173122014 1132401833 /nfs/dbraw/zinc/40/18/33/1132401833.db2.gz YMPIYQDBUXBNLX-UHFFFAOYSA-N 2 1 287.451 3.634 20 0 CHADMP c1cn2c([nH+]1)CC[N@@H+](C1CCC3(CCCCC3)CC1)CC2 ZINC001173122014 1132401836 /nfs/dbraw/zinc/40/18/36/1132401836.db2.gz YMPIYQDBUXBNLX-UHFFFAOYSA-N 2 1 287.451 3.634 20 0 CHADMP c1c2c[nH+]ccc2[nH]c1C[N@@H+](Cc1ccccc1)C1CC1 ZINC001232016446 1132410301 /nfs/dbraw/zinc/41/03/01/1132410301.db2.gz XXDCBLKPKMWJMK-UHFFFAOYSA-N 2 1 277.371 3.728 20 0 CHADMP CCCC[C@H](CC(C)C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001173248769 1132419361 /nfs/dbraw/zinc/41/93/61/1132419361.db2.gz FYNWSYBACGNXFS-HZPDHXFCSA-N 2 1 254.462 3.665 20 0 CHADMP CCCC[C@@H](CC(C)C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001173250822 1132420232 /nfs/dbraw/zinc/42/02/32/1132420232.db2.gz VUHAKEGSLMJPFF-HOTGVXAUSA-N 2 1 254.462 3.665 20 0 CHADMP CCCC[C@H](CC(C)C)n1cc[nH+]c1CCC[NH3+] ZINC001173258365 1132426691 /nfs/dbraw/zinc/42/66/91/1132426691.db2.gz SFCZSKJPMYFPOI-CQSZACIVSA-N 2 1 251.418 3.552 20 0 CHADMP C[C@@H](C[N@@H+](C)CCCCCCC[NH3+])c1ccccc1 ZINC000842472044 1132433119 /nfs/dbraw/zinc/43/31/19/1132433119.db2.gz OCTUAKDRRYQLMC-INIZCTEOSA-N 2 1 262.441 3.631 20 0 CHADMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1CCCC2(CCCCC2)C1 ZINC001173339842 1132467233 /nfs/dbraw/zinc/46/72/33/1132467233.db2.gz QPLSRBZQVIDYMZ-MRXNPFEDSA-N 2 1 266.473 3.939 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001173346409 1132471216 /nfs/dbraw/zinc/47/12/16/1132471216.db2.gz LJENFXBEDUXAJN-ZACQAIPSSA-N 2 1 278.484 3.809 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001173346409 1132471218 /nfs/dbraw/zinc/47/12/18/1132471218.db2.gz LJENFXBEDUXAJN-ZACQAIPSSA-N 2 1 278.484 3.809 20 0 CHADMP CC[NH+]1CCC([N@H+](C)Cc2ccc3ccsc3c2)CC1 ZINC001232610856 1132493351 /nfs/dbraw/zinc/49/33/51/1132493351.db2.gz AJDODBBNMVWONP-UHFFFAOYSA-N 2 1 288.460 3.817 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc3ccsc3c2)CC1 ZINC001232610856 1132493356 /nfs/dbraw/zinc/49/33/56/1132493356.db2.gz AJDODBBNMVWONP-UHFFFAOYSA-N 2 1 288.460 3.817 20 0 CHADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc2ccsc2c1 ZINC001232610935 1132493540 /nfs/dbraw/zinc/49/35/40/1132493540.db2.gz BQNTVGSMAWBCSG-UHFFFAOYSA-N 2 1 288.460 3.819 20 0 CHADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc2ccsc2c1 ZINC001232610935 1132493546 /nfs/dbraw/zinc/49/35/46/1132493546.db2.gz BQNTVGSMAWBCSG-UHFFFAOYSA-N 2 1 288.460 3.819 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843055805 1132494781 /nfs/dbraw/zinc/49/47/81/1132494781.db2.gz OYTLSIFANXETEF-UHFFFAOYSA-N 2 1 280.843 3.659 20 0 CHADMP CC(C)c1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)ccc1Cl ZINC001206211016 1132505501 /nfs/dbraw/zinc/50/55/01/1132505501.db2.gz MFEQUBPKIIMANL-HOTGVXAUSA-N 2 1 298.833 3.725 20 0 CHADMP CC(C)c1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)ccc1Cl ZINC001206211016 1132505506 /nfs/dbraw/zinc/50/55/06/1132505506.db2.gz MFEQUBPKIIMANL-HOTGVXAUSA-N 2 1 298.833 3.725 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1 ZINC001206633032 1132551897 /nfs/dbraw/zinc/55/18/97/1132551897.db2.gz RMUPWDRWRJZATA-GOSISDBHSA-N 2 1 274.452 3.590 20 0 CHADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001206641062 1132569316 /nfs/dbraw/zinc/56/93/16/1132569316.db2.gz SABDHSHWDXMHRX-MRXNPFEDSA-N 2 1 272.436 3.515 20 0 CHADMP C[C@@H]([NH3+])c1ccc2c(ccn2-c2cc3[nH]ccc3c[nH+]2)c1 ZINC001155339704 1132655021 /nfs/dbraw/zinc/65/50/21/1132655021.db2.gz JMGWLASVVVPLEH-LLVKDONJSA-N 2 1 276.343 3.527 20 0 CHADMP Cc1cccc2cc[nH+]c(NCC[C@H]3CCC[N@@H+](C)C3)c12 ZINC001156386554 1132691091 /nfs/dbraw/zinc/69/10/91/1132691091.db2.gz XQDNWLGRZVONIY-OAHLLOKOSA-N 2 1 283.419 3.687 20 0 CHADMP Cc1cccc2cc[nH+]c(NCC[C@H]3CCC[N@H+](C)C3)c12 ZINC001156386554 1132691097 /nfs/dbraw/zinc/69/10/97/1132691097.db2.gz XQDNWLGRZVONIY-OAHLLOKOSA-N 2 1 283.419 3.687 20 0 CHADMP CC(C)(C)CN(c1cc(C2CC2)cc[nH+]1)C1CC[NH2+]CC1 ZINC001157891852 1132754476 /nfs/dbraw/zinc/75/44/76/1132754476.db2.gz VINWCXSYSDFAQZ-UHFFFAOYSA-N 2 1 287.451 3.564 20 0 CHADMP c1cn2cc(Nc3cccc(C[NH+]4CCCC4)c3)ccc2[nH+]1 ZINC001174279103 1132768782 /nfs/dbraw/zinc/76/87/82/1132768782.db2.gz NKUJVCFRBUAFHG-UHFFFAOYSA-N 2 1 292.386 3.674 20 0 CHADMP CCC[NH+](CCC)c1ccc(Nc2cncc(C[NH3+])c2)cc1 ZINC001159539511 1132860274 /nfs/dbraw/zinc/86/02/74/1132860274.db2.gz HMDHQFWEHIMDBO-UHFFFAOYSA-N 2 1 298.434 3.910 20 0 CHADMP c1[nH]c2ccc(Nc3ccc(C4CC[NH2+]CC4)cc3)cc2[nH+]1 ZINC001159598145 1132872092 /nfs/dbraw/zinc/87/20/92/1132872092.db2.gz HUFRWWABNILZRD-UHFFFAOYSA-N 2 1 292.386 3.774 20 0 CHADMP c1nc2ccc(Nc3ccc([C@@H]4CCC[NH2+]4)cc3)cc2[nH]1 ZINC001160223914 1132948205 /nfs/dbraw/zinc/94/82/05/1132948205.db2.gz LTUBXVBBJLRYHM-HNNXBMFYSA-N 2 1 278.359 3.731 20 0 CHADMP c1[nH]c2ccc(Nc3ccc([C@@H]4CCC[NH2+]4)cc3)cc2[nH+]1 ZINC001160223914 1132948209 /nfs/dbraw/zinc/94/82/09/1132948209.db2.gz LTUBXVBBJLRYHM-HNNXBMFYSA-N 2 1 278.359 3.731 20 0 CHADMP Cc1[nH+]c(N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc2[nH]ccc21 ZINC001161187733 1132995979 /nfs/dbraw/zinc/99/59/79/1132995979.db2.gz WCCPVALNUKOLJC-HNNXBMFYSA-N 2 1 298.434 3.548 20 0 CHADMP Cc1c[nH+]c(NCC[PH+](C(C)C)C(C)C)c(N)c1 ZINC001162361900 1133072373 /nfs/dbraw/zinc/07/23/73/1133072373.db2.gz KEADORSUMUOHGZ-UHFFFAOYSA-N 2 1 267.357 3.683 20 0 CHADMP Cc1c[nH+]c(NC[C@H]2CCC[NH2+]C[C@@H]2C)c2ccccc12 ZINC001162454468 1133078684 /nfs/dbraw/zinc/07/86/84/1133078684.db2.gz OLPLWZAHLFSRAV-DZGCQCFKSA-N 2 1 283.419 3.591 20 0 CHADMP Cc1ccc2c(C)cc(NC[C@@H]3CCC[NH2+]C[C@@H]3C)[nH+]c2c1 ZINC001162462338 1133078872 /nfs/dbraw/zinc/07/88/72/1133078872.db2.gz UZCOUNZBACBXBJ-HOTGVXAUSA-N 2 1 297.446 3.899 20 0 CHADMP Cc1ccc2cc(NC[C@@H]3CCC[NH2+]C[C@H]3C)[nH+]cc2c1 ZINC001162453173 1133079244 /nfs/dbraw/zinc/07/92/44/1133079244.db2.gz JCPGMNJCLHFBFC-ZBFHGGJFSA-N 2 1 283.419 3.591 20 0 CHADMP C[C@@H]([NH3+])c1ccc2c(ccn2-c2cc[nH+]c3c2ccn3C)c1 ZINC001162914156 1133121878 /nfs/dbraw/zinc/12/18/78/1133121878.db2.gz ONHHIFWRMZLRPJ-GFCCVEGCSA-N 2 1 290.370 3.537 20 0 CHADMP CC(C)c1ccc(CC[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC001206680592 1133125748 /nfs/dbraw/zinc/12/57/48/1133125748.db2.gz NQNPUGAPRCJUFK-GOSISDBHSA-N 2 1 288.479 3.674 20 0 CHADMP Cc1c[nH+]c(NC2CC[NH+](C[C@H]3CC=CCC3)CC2)c(C)c1 ZINC001163319762 1133141992 /nfs/dbraw/zinc/14/19/92/1133141992.db2.gz KBDKUBKPZXSSBQ-KRWDZBQOSA-N 2 1 299.462 3.931 20 0 CHADMP Cc1ccc2c(C)cc(N3C[C@H](C[NH3+])CC[C@H]3C)[nH+]c2c1C ZINC001164473857 1133221754 /nfs/dbraw/zinc/22/17/54/1133221754.db2.gz KCLRGAGFAOCMEZ-ZBFHGGJFSA-N 2 1 297.446 3.724 20 0 CHADMP Cc1ccc2c(C)cc(NCC[C@H]3CCC[N@@H+](C)C3)[nH+]c2c1 ZINC001165273321 1133233265 /nfs/dbraw/zinc/23/32/65/1133233265.db2.gz QJZDQMLWNGNIIN-MRXNPFEDSA-N 2 1 297.446 3.995 20 0 CHADMP Cc1ccc2c(C)cc(NCC[C@H]3CCC[N@H+](C)C3)[nH+]c2c1 ZINC001165273321 1133233270 /nfs/dbraw/zinc/23/32/70/1133233270.db2.gz QJZDQMLWNGNIIN-MRXNPFEDSA-N 2 1 297.446 3.995 20 0 CHADMP c1ccc([C@@H]2C[C@@H]2C[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC001206714970 1133265104 /nfs/dbraw/zinc/26/51/04/1133265104.db2.gz MPNQIHJGIRINOH-HBFSDRIKSA-N 2 1 298.474 3.787 20 0 CHADMP c1ccc([C@@H]2C[C@@H]2C[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC001206714970 1133265109 /nfs/dbraw/zinc/26/51/09/1133265109.db2.gz MPNQIHJGIRINOH-HBFSDRIKSA-N 2 1 298.474 3.787 20 0 CHADMP Cc1cccc2cc[nH+]c(N3CCC([C@H]4CCC[NH2+]4)CC3)c12 ZINC001166902126 1133294751 /nfs/dbraw/zinc/29/47/51/1133294751.db2.gz CIQHYSDKBGPZFK-QGZVFWFLSA-N 2 1 295.430 3.512 20 0 CHADMP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(Cl)c(Cl)c1)CC2 ZINC001203806440 1133371122 /nfs/dbraw/zinc/37/11/22/1133371122.db2.gz FIMSCAUEBHABSS-UHFFFAOYSA-N 2 1 299.245 3.521 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccsc1 ZINC001204040117 1133402574 /nfs/dbraw/zinc/40/25/74/1133402574.db2.gz IOMXALPRNHOJRI-JKSUJKDBSA-N 2 1 278.465 3.587 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC001204040117 1133402575 /nfs/dbraw/zinc/40/25/75/1133402575.db2.gz IOMXALPRNHOJRI-JKSUJKDBSA-N 2 1 278.465 3.587 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccsc1 ZINC001204040117 1133402579 /nfs/dbraw/zinc/40/25/79/1133402579.db2.gz IOMXALPRNHOJRI-JKSUJKDBSA-N 2 1 278.465 3.587 20 0 CHADMP Cc1ccc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)cc1 ZINC001204171191 1133414631 /nfs/dbraw/zinc/41/46/31/1133414631.db2.gz GHBYOQPECZACKM-UHFFFAOYSA-N 2 1 274.452 3.547 20 0 CHADMP Cc1ccc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)cc1 ZINC001204172338 1133414808 /nfs/dbraw/zinc/41/48/08/1133414808.db2.gz VHOMTCBQZZIQPJ-UHFFFAOYSA-N 2 1 298.474 3.835 20 0 CHADMP Cc1ccc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)cc1 ZINC001204172338 1133414810 /nfs/dbraw/zinc/41/48/10/1133414810.db2.gz VHOMTCBQZZIQPJ-UHFFFAOYSA-N 2 1 298.474 3.835 20 0 CHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(F)c(F)c2)CC1 ZINC001204223234 1133421543 /nfs/dbraw/zinc/42/15/43/1133421543.db2.gz BZGGAWRZFVPXLB-UHFFFAOYSA-N 2 1 296.405 3.517 20 0 CHADMP CCC[N@@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)[C@H](C)CC ZINC001204629424 1133468767 /nfs/dbraw/zinc/46/87/67/1133468767.db2.gz BSQVNULIHXZZAH-OAHLLOKOSA-N 2 1 299.462 3.755 20 0 CHADMP COc1cc[nH+]c(Nc2ccc(C[NH2+]C(C)(C)C)cc2)c1 ZINC001204671066 1133473317 /nfs/dbraw/zinc/47/33/17/1133473317.db2.gz ZYMQNOQIVZIFQI-UHFFFAOYSA-N 2 1 285.391 3.722 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727936 1133479700 /nfs/dbraw/zinc/47/97/00/1133479700.db2.gz XATGOCVPQQPKCX-KRWDZBQOSA-N 2 1 278.484 3.835 20 0 CHADMP Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc3c(c2)C[NH2+]C3)c1 ZINC001204848240 1133491212 /nfs/dbraw/zinc/49/12/12/1133491212.db2.gz MACXEXYWXIZKBY-HXUWFJFHSA-N 2 1 292.426 3.935 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC001204925363 1133500905 /nfs/dbraw/zinc/50/09/05/1133500905.db2.gz RSCPQCUPDLGVMK-ZDUSSCGKSA-N 2 1 274.433 3.523 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+]1CCCC[C@H]1C[NH3+] ZINC001204925363 1133500909 /nfs/dbraw/zinc/50/09/09/1133500909.db2.gz RSCPQCUPDLGVMK-ZDUSSCGKSA-N 2 1 274.433 3.523 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC001204932930 1133503118 /nfs/dbraw/zinc/50/31/18/1133503118.db2.gz OJWLQEFCXAXIAV-SFHVURJKSA-N 2 1 294.442 3.975 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1CCCC[C@H]1C[NH3+] ZINC001204932930 1133503120 /nfs/dbraw/zinc/50/31/20/1133503120.db2.gz OJWLQEFCXAXIAV-SFHVURJKSA-N 2 1 294.442 3.975 20 0 CHADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC001205095570 1133528828 /nfs/dbraw/zinc/52/88/28/1133528828.db2.gz ZDTDTEGIUZAFTK-KRWDZBQOSA-N 2 1 296.414 3.792 20 0 CHADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC001205101275 1133530307 /nfs/dbraw/zinc/53/03/07/1133530307.db2.gz CSPLLFWVSAXESM-OAHLLOKOSA-N 2 1 286.444 3.728 20 0 CHADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2)CC1 ZINC001205110608 1133531455 /nfs/dbraw/zinc/53/14/55/1133531455.db2.gz XATGPCURTJWTDY-IBGZPJMESA-N 2 1 280.415 3.667 20 0 CHADMP Cc1csc2sc(C[N@H+]3CCC[C@@H]([NH3+])CC3)c(C)c12 ZINC001205117159 1133531757 /nfs/dbraw/zinc/53/17/57/1133531757.db2.gz MDBLBERPWVSAEQ-GFCCVEGCSA-N 2 1 294.489 3.893 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3CCC[C@H]([NH3+])CC3)cc2)c1 ZINC001205116573 1133532548 /nfs/dbraw/zinc/53/25/48/1133532548.db2.gz DABXENCTFBAFDF-FQEVSTJZSA-N 2 1 294.442 3.975 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2-c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC001205146183 1133536291 /nfs/dbraw/zinc/53/62/91/1133536291.db2.gz RVGJBTNCABSHCE-WMLDXEAASA-N 2 1 298.405 3.519 20 0 CHADMP COc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1C(C)C ZINC001205273206 1133553651 /nfs/dbraw/zinc/55/36/51/1133553651.db2.gz HXNAPRPWIXOOOX-GOSISDBHSA-N 2 1 290.451 3.522 20 0 CHADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(-c3ccccc3)o2)CC1 ZINC001205281821 1133554316 /nfs/dbraw/zinc/55/43/16/1133554316.db2.gz YPZJVJGQEWFEKM-GOSISDBHSA-N 2 1 284.403 3.650 20 0 CHADMP CC(C)Cc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001205280745 1133554350 /nfs/dbraw/zinc/55/43/50/1133554350.db2.gz HSMKJQXJZKVBIJ-GOSISDBHSA-N 2 1 274.452 3.588 20 0 CHADMP CC(C)c1cccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205288389 1133554554 /nfs/dbraw/zinc/55/45/54/1133554554.db2.gz KBXJPSMHCQROOK-QGZVFWFLSA-N 2 1 260.425 3.513 20 0 CHADMP CCCCc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)s1 ZINC001205306335 1133558329 /nfs/dbraw/zinc/55/83/29/1133558329.db2.gz VNYGXDFBGMFUCB-UONOGXRCSA-N 2 1 280.481 3.507 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CC[NH2+]CC[C@@H]3C)cc2)cc1 ZINC001205332364 1133563330 /nfs/dbraw/zinc/56/33/30/1133563330.db2.gz PSAZFIAAMVSUAX-KRWDZBQOSA-N 2 1 294.442 3.846 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3CC[NH2+]CC[C@@H]3C)cc2)cc1 ZINC001205332364 1133563334 /nfs/dbraw/zinc/56/33/34/1133563334.db2.gz PSAZFIAAMVSUAX-KRWDZBQOSA-N 2 1 294.442 3.846 20 0 CHADMP CCC(C)(C)c1ccc(C[N@@H+]2CC[NH2+]CC[C@@H]2C)cc1 ZINC001205333239 1133563796 /nfs/dbraw/zinc/56/37/96/1133563796.db2.gz YCVYPOUQKIYJRO-HNNXBMFYSA-N 2 1 274.452 3.558 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CC[NH2+]CC[C@@H]2C)cc1 ZINC001205333239 1133563798 /nfs/dbraw/zinc/56/37/98/1133563798.db2.gz YCVYPOUQKIYJRO-HNNXBMFYSA-N 2 1 274.452 3.558 20 0 CHADMP C[C@@]1(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)CC[N@@H+](Cc2ccccc2)C1 ZINC001205583710 1133590658 /nfs/dbraw/zinc/59/06/58/1133590658.db2.gz SNROMTCXEBCMOT-HAGHYFMRSA-N 2 1 298.474 3.677 20 0 CHADMP CC[C@H]1CCCC[C@H]1C[NH2+]C[C@@H](C)[NH+](CC)CC ZINC001205639594 1133597174 /nfs/dbraw/zinc/59/71/74/1133597174.db2.gz FFFIYUWRPZDCFH-PMPSAXMXSA-N 2 1 254.462 3.523 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(C)(CC)CC1 ZINC001205716431 1133604377 /nfs/dbraw/zinc/60/43/77/1133604377.db2.gz IWAAQQSLWQOCND-CGZBRXJRSA-N 2 1 266.473 3.809 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(C)(CC)CC1 ZINC001205716431 1133604381 /nfs/dbraw/zinc/60/43/81/1133604381.db2.gz IWAAQQSLWQOCND-CGZBRXJRSA-N 2 1 266.473 3.809 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@@H]1CC2CCC1CC2 ZINC001205716842 1133606378 /nfs/dbraw/zinc/60/63/78/1133606378.db2.gz MKTHWFCGORQVSY-UIJHXXCUSA-N 2 1 278.484 3.665 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@@H]1CC2CCC1CC2 ZINC001205716842 1133606382 /nfs/dbraw/zinc/60/63/82/1133606382.db2.gz MKTHWFCGORQVSY-UIJHXXCUSA-N 2 1 278.484 3.665 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1 ZINC001205917195 1133629549 /nfs/dbraw/zinc/62/95/49/1133629549.db2.gz XHWXMPVBHHCSIY-QAPCUYQASA-N 2 1 274.452 3.588 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1 ZINC001205915628 1133630269 /nfs/dbraw/zinc/63/02/69/1133630269.db2.gz QBHYTVOJOALMKM-RDJZCZTQSA-N 2 1 288.479 3.933 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205913028 1133630432 /nfs/dbraw/zinc/63/04/32/1133630432.db2.gz GFXBGLOAXVYISG-JSGCOSHPSA-N 2 1 288.460 3.769 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c(C)c1Cl ZINC001205923047 1133631462 /nfs/dbraw/zinc/63/14/62/1133631462.db2.gz HGWAOEGSEICSTI-KGLIPLIRSA-N 2 1 280.843 3.516 20 0 CHADMP CCc1cccc2c(C[N@H+]3CCC[C@H](C[NH3+])[C@H](C)C3)c[nH]c21 ZINC001205995963 1133638727 /nfs/dbraw/zinc/63/87/27/1133638727.db2.gz SISZIECIWYAWNE-GDBMZVCRSA-N 2 1 299.462 3.537 20 0 CHADMP C[C@H]1C[N@@H+](Cc2cccc3ccccc32)CCC[C@@H]1C[NH3+] ZINC001205992557 1133638866 /nfs/dbraw/zinc/63/88/66/1133638866.db2.gz FHNYUHHJEJTXIR-DOTOQJQBSA-N 2 1 282.431 3.647 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2)CCC[C@H]1C[NH3+] ZINC001205995993 1133639002 /nfs/dbraw/zinc/63/90/02/1133639002.db2.gz SWVKHYJHBLUXEC-RDJZCZTQSA-N 2 1 288.479 3.791 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2)CCC[C@@H]1C[NH3+] ZINC001206005232 1133640086 /nfs/dbraw/zinc/64/00/86/1133640086.db2.gz XDQHWSRGWNRKGE-NVXWUHKLSA-N 2 1 288.479 3.791 20 0 CHADMP Cc1cc(F)cc(Cl)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206036737 1133646048 /nfs/dbraw/zinc/64/60/48/1133646048.db2.gz PDOYZZCNMWVZBO-OLZOCXBDSA-N 2 1 298.833 3.594 20 0 CHADMP Cc1cc(F)cc(Cl)c1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206036738 1133646081 /nfs/dbraw/zinc/64/60/81/1133646081.db2.gz PDOYZZCNMWVZBO-QWHCGFSZSA-N 2 1 298.833 3.594 20 0 CHADMP C[C@@H]1CC[N@H+](Cc2cccc3c4ccccc4oc32)C[C@H]1[NH3+] ZINC001206043517 1133647161 /nfs/dbraw/zinc/64/71/61/1133647161.db2.gz JCCITYYVZFXMEH-CXAGYDPISA-N 2 1 294.398 3.755 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2cccc3c4ccccc4oc32)C[C@H]1[NH3+] ZINC001206043517 1133647163 /nfs/dbraw/zinc/64/71/63/1133647163.db2.gz JCCITYYVZFXMEH-CXAGYDPISA-N 2 1 294.398 3.755 20 0 CHADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC001206049955 1133649595 /nfs/dbraw/zinc/64/95/95/1133649595.db2.gz VZGBKDKIXXFJOQ-SFHVURJKSA-N 2 1 284.378 3.622 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC001206084055 1133654719 /nfs/dbraw/zinc/65/47/19/1133654719.db2.gz CSZPPTJWZXQTGJ-ZACQAIPSSA-N 2 1 268.489 3.911 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC001206084050 1133654963 /nfs/dbraw/zinc/65/49/63/1133654963.db2.gz CSZPPTJWZXQTGJ-BRWVUGGUSA-N 2 1 268.489 3.911 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC001206084050 1133654966 /nfs/dbraw/zinc/65/49/66/1133654966.db2.gz CSZPPTJWZXQTGJ-BRWVUGGUSA-N 2 1 268.489 3.911 20 0 CHADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccc(-c2ccccc2)s1 ZINC001206257938 1133677420 /nfs/dbraw/zinc/67/74/20/1133677420.db2.gz NHRPRVNPOLVXHL-AWEZNQCLSA-N 2 1 286.444 3.599 20 0 CHADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc(-c2ccccc2)s1 ZINC001206257938 1133677422 /nfs/dbraw/zinc/67/74/22/1133677422.db2.gz NHRPRVNPOLVXHL-AWEZNQCLSA-N 2 1 286.444 3.599 20 0 CHADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1cccc(-c2ccsc2)c1 ZINC001206263205 1133678875 /nfs/dbraw/zinc/67/88/75/1133678875.db2.gz RAWOGUFLCMYWMX-AWEZNQCLSA-N 2 1 286.444 3.599 20 0 CHADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1cccc(-c2ccsc2)c1 ZINC001206263205 1133678880 /nfs/dbraw/zinc/67/88/80/1133678880.db2.gz RAWOGUFLCMYWMX-AWEZNQCLSA-N 2 1 286.444 3.599 20 0 CHADMP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc3oc4ccccc4c3c2)C1 ZINC001206277257 1133681318 /nfs/dbraw/zinc/68/13/18/1133681318.db2.gz PXEGGCNSCKUYNW-AWEZNQCLSA-N 2 1 294.398 3.627 20 0 CHADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc3oc4ccccc4c3c2)C1 ZINC001206277257 1133681322 /nfs/dbraw/zinc/68/13/22/1133681322.db2.gz PXEGGCNSCKUYNW-AWEZNQCLSA-N 2 1 294.398 3.627 20 0 CHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc3ccsc3c2)CC1 ZINC001206317476 1133688853 /nfs/dbraw/zinc/68/88/53/1133688853.db2.gz GFJCMFXDKOLIHB-QGZVFWFLSA-N 2 1 288.460 3.852 20 0 CHADMP Cc1c(C)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)ccc1Cl ZINC001206325727 1133689554 /nfs/dbraw/zinc/68/95/54/1133689554.db2.gz IARFHOGINDSLGL-QGZVFWFLSA-N 2 1 294.870 3.908 20 0 CHADMP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2csc3ccccc23)C1 ZINC001206351930 1133693547 /nfs/dbraw/zinc/69/35/47/1133693547.db2.gz KJSWXQPBBDCDCP-MRXNPFEDSA-N 2 1 292.423 3.554 20 0 CHADMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2csc3ccccc23)C1 ZINC001206351930 1133693551 /nfs/dbraw/zinc/69/35/51/1133693551.db2.gz KJSWXQPBBDCDCP-MRXNPFEDSA-N 2 1 292.423 3.554 20 0 CHADMP Cc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1Cl ZINC001206563508 1133717931 /nfs/dbraw/zinc/71/79/31/1133717931.db2.gz FHNBZPVVVDABAL-INIZCTEOSA-N 2 1 280.843 3.599 20 0 CHADMP Cc1ccc(Cl)c(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206573742 1133721193 /nfs/dbraw/zinc/72/11/93/1133721193.db2.gz NHYPEGMBYJWMGZ-MRXNPFEDSA-N 2 1 280.843 3.599 20 0 CHADMP Cc1ccc(C)c(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1 ZINC001206580882 1133721981 /nfs/dbraw/zinc/72/19/81/1133721981.db2.gz GMWKZIPSYATWGS-GOSISDBHSA-N 2 1 274.452 3.656 20 0 CHADMP Cc1c(F)cc(F)cc1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206591049 1133723114 /nfs/dbraw/zinc/72/31/14/1133723114.db2.gz PUFDIHMAUVOJDJ-INIZCTEOSA-N 2 1 296.405 3.626 20 0 CHADMP CCc1ccccc1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206589147 1133723347 /nfs/dbraw/zinc/72/33/47/1133723347.db2.gz GBOSBAGOYVRQQU-GOSISDBHSA-N 2 1 274.452 3.602 20 0 CHADMP Cc1cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc(C)c1F ZINC001206588875 1133723598 /nfs/dbraw/zinc/72/35/98/1133723598.db2.gz CSGJFKBSXDVCKZ-QGZVFWFLSA-N 2 1 292.442 3.795 20 0 CHADMP Cc1c(F)cc(F)cc1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206591050 1133723628 /nfs/dbraw/zinc/72/36/28/1133723628.db2.gz PUFDIHMAUVOJDJ-MRXNPFEDSA-N 2 1 296.405 3.626 20 0 CHADMP Cc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(F)c1F ZINC001206591800 1133724802 /nfs/dbraw/zinc/72/48/02/1133724802.db2.gz WEUYSWAHHIXERV-OAHLLOKOSA-N 2 1 296.405 3.626 20 0 CHADMP Cc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(F)c1F ZINC001206591800 1133724806 /nfs/dbraw/zinc/72/48/06/1133724806.db2.gz WEUYSWAHHIXERV-OAHLLOKOSA-N 2 1 296.405 3.626 20 0 CHADMP CCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001206714402 1133734777 /nfs/dbraw/zinc/73/47/77/1133734777.db2.gz FWWSKGBKIIJGDQ-HOTGVXAUSA-N 2 1 266.473 3.952 20 0 CHADMP CCCCC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001206714402 1133734780 /nfs/dbraw/zinc/73/47/80/1133734780.db2.gz FWWSKGBKIIJGDQ-HOTGVXAUSA-N 2 1 266.473 3.952 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(F)c2ccccc12 ZINC001206767881 1133746251 /nfs/dbraw/zinc/74/62/51/1133746251.db2.gz FVSBECOTBMGAFL-KBPBESRZSA-N 2 1 286.394 3.538 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206811254 1133751654 /nfs/dbraw/zinc/75/16/54/1133751654.db2.gz SOTSDFGEDBCHPZ-KBPBESRZSA-N 2 1 280.843 3.516 20 0 CHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C2(CC2)C1 ZINC001207294984 1133789603 /nfs/dbraw/zinc/78/96/03/1133789603.db2.gz YHEVLLUIABSWMB-KRWDZBQOSA-N 2 1 298.474 3.773 20 0 CHADMP CSc1ccccc1[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC001207441015 1133803050 /nfs/dbraw/zinc/80/30/50/1133803050.db2.gz OGPLSJJPTIDTNI-INIZCTEOSA-N 2 1 290.476 3.545 20 0 CHADMP CC[N@@H+](CCC1CC[NH+](C)CC1)Cc1cccc(F)c1F ZINC001207487505 1133805393 /nfs/dbraw/zinc/80/53/93/1133805393.db2.gz LILMURWQQOWKCM-UHFFFAOYSA-N 2 1 296.405 3.519 20 0 CHADMP CC(C)C(C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1)C(C)C ZINC001207783165 1133847128 /nfs/dbraw/zinc/84/71/28/1133847128.db2.gz BTRNSNYSZALIOM-ULQDDVLXSA-N 2 1 280.500 3.577 20 0 CHADMP CC[N@@H+](Cc1ccc(C)cc1)CC1(C)CC[NH+](C)CC1 ZINC001208112130 1133876243 /nfs/dbraw/zinc/87/62/43/1133876243.db2.gz REAOLAJGCLUXLG-UHFFFAOYSA-N 2 1 274.452 3.549 20 0 CHADMP Cc1cccc(C[N@H+](C)CC2(C[NH+](C)C)CCCC2)c1 ZINC001208182415 1133901001 /nfs/dbraw/zinc/90/10/01/1133901001.db2.gz QVYSBFNJELMUIL-UHFFFAOYSA-N 2 1 274.452 3.549 20 0 CHADMP C[NH+](C)CC1(C[N@H+]2CC[C@@H](c3ccccc3)C2)CCCC1 ZINC001208183747 1133901063 /nfs/dbraw/zinc/90/10/63/1133901063.db2.gz FRUVEYOWSBWUQO-GOSISDBHSA-N 2 1 286.463 3.598 20 0 CHADMP CC[NH+]1CCC(C[N@H+]2CCCC[C@H]2c2ccccc2)CC1 ZINC001208592081 1133918255 /nfs/dbraw/zinc/91/82/55/1133918255.db2.gz CXXLJQAIWXTBSN-IBGZPJMESA-N 2 1 286.463 3.946 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@H](c3ccccc3)CC2)C1 ZINC001208613983 1133918259 /nfs/dbraw/zinc/91/82/59/1133918259.db2.gz BZYHUCIYXVZLEU-IEBWSBKVSA-N 2 1 286.463 3.598 20 0 CHADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)C1 ZINC001208613983 1133918262 /nfs/dbraw/zinc/91/82/62/1133918262.db2.gz BZYHUCIYXVZLEU-IEBWSBKVSA-N 2 1 286.463 3.598 20 0 CHADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@H](c3ccccc3)CC2)C1 ZINC001208613983 1133918265 /nfs/dbraw/zinc/91/82/65/1133918265.db2.gz BZYHUCIYXVZLEU-IEBWSBKVSA-N 2 1 286.463 3.598 20 0 CHADMP CN1CCC[C@@H](C[N@H+]2CCCC[C@H]2c2ccccc2F)C1 ZINC001208608231 1133918617 /nfs/dbraw/zinc/91/86/17/1133918617.db2.gz PBMNXEUAPVLCCT-QAPCUYQASA-N 2 1 290.426 3.695 20 0 CHADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2c2ccccc2F)C1 ZINC001208608231 1133918627 /nfs/dbraw/zinc/91/86/27/1133918627.db2.gz PBMNXEUAPVLCCT-QAPCUYQASA-N 2 1 290.426 3.695 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2c2ccccc2F)C1 ZINC001208608231 1133918629 /nfs/dbraw/zinc/91/86/29/1133918629.db2.gz PBMNXEUAPVLCCT-QAPCUYQASA-N 2 1 290.426 3.695 20 0 CHADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2c2ccccc2F)C1 ZINC001208608231 1133918633 /nfs/dbraw/zinc/91/86/33/1133918633.db2.gz PBMNXEUAPVLCCT-QAPCUYQASA-N 2 1 290.426 3.695 20 0 CHADMP C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2c2ccccc2F)C1 ZINC001208608231 1133918636 /nfs/dbraw/zinc/91/86/36/1133918636.db2.gz PBMNXEUAPVLCCT-QAPCUYQASA-N 2 1 290.426 3.695 20 0 CHADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H]2c2cccs2)CC1 ZINC001208600783 1133919472 /nfs/dbraw/zinc/91/94/72/1133919472.db2.gz WIJXCWBNFFYYAL-OAHLLOKOSA-N 2 1 278.465 3.617 20 0 CHADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H]2c2cccc(C)c2)CC1 ZINC001208594842 1133919643 /nfs/dbraw/zinc/91/96/43/1133919643.db2.gz OMPFNWVGXFHGQZ-LJQANCHMSA-N 2 1 286.463 3.864 20 0 CHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](CCC3CC3)C[C@@H]21 ZINC001208684302 1133927772 /nfs/dbraw/zinc/92/77/72/1133927772.db2.gz WZRFMIMAPQKGGZ-UFYCRDLUSA-N 2 1 298.474 3.897 20 0 CHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]21 ZINC001208684302 1133927776 /nfs/dbraw/zinc/92/77/76/1133927776.db2.gz WZRFMIMAPQKGGZ-UFYCRDLUSA-N 2 1 298.474 3.897 20 0 CHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](CCC3CC3)C[C@@H]21 ZINC001208684302 1133927779 /nfs/dbraw/zinc/92/77/79/1133927779.db2.gz WZRFMIMAPQKGGZ-UFYCRDLUSA-N 2 1 298.474 3.897 20 0 CHADMP CC[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208936175 1133965610 /nfs/dbraw/zinc/96/56/10/1133965610.db2.gz NOJLCKHAPQSMAQ-AEFFLSMTSA-N 2 1 274.452 3.629 20 0 CHADMP CC[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208936175 1133965606 /nfs/dbraw/zinc/96/56/06/1133965606.db2.gz NOJLCKHAPQSMAQ-AEFFLSMTSA-N 2 1 274.452 3.629 20 0 CHADMP CC[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208936175 1133965613 /nfs/dbraw/zinc/96/56/13/1133965613.db2.gz NOJLCKHAPQSMAQ-AEFFLSMTSA-N 2 1 274.452 3.629 20 0 CHADMP CC[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208936175 1133965617 /nfs/dbraw/zinc/96/56/17/1133965617.db2.gz NOJLCKHAPQSMAQ-AEFFLSMTSA-N 2 1 274.452 3.629 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC4(C3)CCCCC4)C2)cc1 ZINC001208951271 1133966478 /nfs/dbraw/zinc/96/64/78/1133966478.db2.gz AYIATBKRIXPHGP-IBGZPJMESA-N 2 1 298.474 3.775 20 0 CHADMP CC[C@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208954555 1133967259 /nfs/dbraw/zinc/96/72/59/1133967259.db2.gz WJFJQENMVXGQHL-PKOBYXMFSA-N 2 1 286.463 3.631 20 0 CHADMP CC[C@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208954555 1133967262 /nfs/dbraw/zinc/96/72/62/1133967262.db2.gz WJFJQENMVXGQHL-PKOBYXMFSA-N 2 1 286.463 3.631 20 0 CHADMP CC[C@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208954555 1133967267 /nfs/dbraw/zinc/96/72/67/1133967267.db2.gz WJFJQENMVXGQHL-PKOBYXMFSA-N 2 1 286.463 3.631 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001209289065 1134004578 /nfs/dbraw/zinc/00/45/78/1134004578.db2.gz XBTXVYFAGBEWLP-PYTPGESOSA-N 2 1 278.484 3.931 20 0 CHADMP CC/C=C\CCCCCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001209289065 1134004584 /nfs/dbraw/zinc/00/45/84/1134004584.db2.gz XBTXVYFAGBEWLP-PYTPGESOSA-N 2 1 278.484 3.931 20 0 CHADMP CC/C=C\CCCCCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001209289065 1134004590 /nfs/dbraw/zinc/00/45/90/1134004590.db2.gz XBTXVYFAGBEWLP-PYTPGESOSA-N 2 1 278.484 3.931 20 0 CHADMP C[C@@H]1CC[N@H+](Cc2ccc(-c3cccs3)cc2)CC[NH2+]1 ZINC001210496148 1134229346 /nfs/dbraw/zinc/22/93/46/1134229346.db2.gz FMEAXVNYGHBXHR-CQSZACIVSA-N 2 1 286.444 3.599 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3cccs3)cc2)CC[NH2+]1 ZINC001210496148 1134229349 /nfs/dbraw/zinc/22/93/49/1134229349.db2.gz FMEAXVNYGHBXHR-CQSZACIVSA-N 2 1 286.444 3.599 20 0 CHADMP Cc1ccc(-c2cccc(C[N@@H+]3CC[NH2+][C@H](C)CC3)c2)cc1 ZINC001210499219 1134229988 /nfs/dbraw/zinc/22/99/88/1134229988.db2.gz TVWAWRWKZRMEHB-QGZVFWFLSA-N 2 1 294.442 3.846 20 0 CHADMP Cc1ccc(-c2cccc(C[N@H+]3CC[NH2+][C@H](C)CC3)c2)cc1 ZINC001210499219 1134229992 /nfs/dbraw/zinc/22/99/92/1134229992.db2.gz TVWAWRWKZRMEHB-QGZVFWFLSA-N 2 1 294.442 3.846 20 0 CHADMP C[NH2+]Cc1cccc(Nc2cccc3cc[nH+]cc32)c1 ZINC001211137209 1134377763 /nfs/dbraw/zinc/37/77/63/1134377763.db2.gz IZYSPYJPDVJKQV-UHFFFAOYSA-N 2 1 263.344 3.698 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(Cl)s1 ZINC000182967328 1134629906 /nfs/dbraw/zinc/62/99/06/1134629906.db2.gz DQKVBUZJTBZILJ-MNOVXSKESA-N 2 1 272.845 3.536 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(Cl)s1 ZINC000182967328 1134629910 /nfs/dbraw/zinc/62/99/10/1134629910.db2.gz DQKVBUZJTBZILJ-MNOVXSKESA-N 2 1 272.845 3.536 20 0 CHADMP CCC[C@H](CC)Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001218215129 1135070872 /nfs/dbraw/zinc/07/08/72/1135070872.db2.gz TXXGAPZASWHBLF-KRWDZBQOSA-N 2 1 290.451 3.567 20 0 CHADMP CC(C)CCC[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222155170 1135200792 /nfs/dbraw/zinc/20/07/92/1135200792.db2.gz XBZSKDFPWFNUKM-QGZVFWFLSA-N 2 1 266.473 3.668 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c2ccccc12 ZINC001222237888 1135212720 /nfs/dbraw/zinc/21/27/20/1135212720.db2.gz WLJFGIUDYIRBHC-FQEVSTJZSA-N 2 1 294.442 3.866 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c2ccccc12 ZINC001222237888 1135212724 /nfs/dbraw/zinc/21/27/24/1135212724.db2.gz WLJFGIUDYIRBHC-FQEVSTJZSA-N 2 1 294.442 3.866 20 0 CHADMP CC1=CC[C@@H](CC[N@H+]2CCC[C@]23CCC[NH2+]CC3)C1(C)C ZINC001222307844 1135222157 /nfs/dbraw/zinc/22/21/57/1135222157.db2.gz CFNYKMHNJDPWSF-HKUYNNGSSA-N 2 1 290.495 3.977 20 0 CHADMP C(CC1CCCC1)C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222310388 1135223265 /nfs/dbraw/zinc/22/32/65/1135223265.db2.gz URKXGBICMPRRCB-QGZVFWFLSA-N 2 1 264.457 3.565 20 0 CHADMP Cc1cccc2[nH]cc(C[N@H+]3CCC[C@@]34CCC[NH2+]CC4)c21 ZINC001222314570 1135224510 /nfs/dbraw/zinc/22/45/10/1135224510.db2.gz HYXAXDJGZYDHKP-LJQANCHMSA-N 2 1 297.446 3.584 20 0 CHADMP Cc1c(Cl)cccc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222321361 1135225201 /nfs/dbraw/zinc/22/52/01/1135225201.db2.gz UFRWHSQOBWUMTR-KRWDZBQOSA-N 2 1 292.854 3.757 20 0 CHADMP Cc1cc(F)cc(C)c1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222320342 1135225633 /nfs/dbraw/zinc/22/56/33/1135225633.db2.gz GXPKLSZPGHBWTM-GOSISDBHSA-N 2 1 290.426 3.551 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222426891 1135240239 /nfs/dbraw/zinc/24/02/39/1135240239.db2.gz JKQQYXLVEVCQQI-FQEVSTJZSA-N 2 1 294.442 3.866 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222426891 1135240242 /nfs/dbraw/zinc/24/02/42/1135240242.db2.gz JKQQYXLVEVCQQI-FQEVSTJZSA-N 2 1 294.442 3.866 20 0 CHADMP CCCCc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC001222623137 1135256499 /nfs/dbraw/zinc/25/64/99/1135256499.db2.gz BNJFERNDJCPZKP-GASCZTMLSA-N 2 1 292.492 3.522 20 0 CHADMP C[N@@H+](CC1CCCCC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000367110242 529864817 /nfs/dbraw/zinc/86/48/17/529864817.db2.gz MACPDLLLGPRPAV-UHFFFAOYSA-N 2 1 287.451 3.563 20 0 CHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1coc2ccccc12 ZINC000353645747 529931735 /nfs/dbraw/zinc/93/17/35/529931735.db2.gz BUVYAJJAVDFQIL-MRXNPFEDSA-N 2 1 286.419 3.739 20 0 CHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1coc2ccccc12 ZINC000353645747 529931736 /nfs/dbraw/zinc/93/17/36/529931736.db2.gz BUVYAJJAVDFQIL-MRXNPFEDSA-N 2 1 286.419 3.739 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1coc2ccccc12 ZINC000353645747 529931737 /nfs/dbraw/zinc/93/17/37/529931737.db2.gz BUVYAJJAVDFQIL-MRXNPFEDSA-N 2 1 286.419 3.739 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1coc2ccccc12 ZINC000353645747 529931738 /nfs/dbraw/zinc/93/17/38/529931738.db2.gz BUVYAJJAVDFQIL-MRXNPFEDSA-N 2 1 286.419 3.739 20 0 CHADMP C[N@@H+](Cc1cc(-c2ccccc2)cs1)C1CC[NH2+]CC1 ZINC000347226553 529975305 /nfs/dbraw/zinc/97/53/05/529975305.db2.gz WFSUONQTUAELGR-UHFFFAOYSA-N 2 1 286.444 3.599 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@@H](CC2CCC2)c2ccccc2)CC1 ZINC000344313628 530047408 /nfs/dbraw/zinc/04/74/08/530047408.db2.gz ZAWJNJUPKRHLNV-IBGZPJMESA-N 2 1 284.447 3.769 20 0 CHADMP CC1=C[C@H](C)C[C@H](C[N@@H+]2CC[C@H](N3CCCC3)[C@@H]2C)C1 ZINC000575101243 335065050 /nfs/dbraw/zinc/06/50/50/335065050.db2.gz BSFSZLBGLOFFQM-DKIMLUQUSA-N 2 1 276.468 3.537 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)s2)CC1 ZINC000020189982 171056559 /nfs/dbraw/zinc/05/65/59/171056559.db2.gz HIRDNWOGRVRUBJ-ZDUSSCGKSA-N 2 1 266.454 3.582 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2cc3ccccc3o2)CC1 ZINC000020189956 171056953 /nfs/dbraw/zinc/05/69/53/171056953.db2.gz FQBDVSHIGOSEJS-AWEZNQCLSA-N 2 1 286.419 3.958 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(Cl)c2)CC1 ZINC000020189923 171056973 /nfs/dbraw/zinc/05/69/73/171056973.db2.gz MAUZMABAROFGNT-ZDUSSCGKSA-N 2 1 280.843 3.865 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c(C)o1 ZINC000020439124 171202898 /nfs/dbraw/zinc/20/28/98/171202898.db2.gz XLTSJWBRGWDOSR-LBPRGKRZSA-N 2 1 278.440 3.856 20 0 CHADMP Cc1ccccc1C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000021012336 171288127 /nfs/dbraw/zinc/28/81/27/171288127.db2.gz BVRUWFIAQVFZQT-UHFFFAOYSA-N 2 1 282.431 3.607 20 0 CHADMP C[N@@H+](CCC1CCCCCC1)CC1CC[NH+](C)CC1 ZINC000575188807 335077831 /nfs/dbraw/zinc/07/78/31/335077831.db2.gz HQEDSHJPRXZDNP-UHFFFAOYSA-N 2 1 266.473 3.621 20 0 CHADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(C)CCCCCC2)s1 ZINC000352741927 227185751 /nfs/dbraw/zinc/18/57/51/227185751.db2.gz KEBTTZDWUDUYIH-UHFFFAOYSA-N 2 1 295.496 3.655 20 0 CHADMP C[NH+](C)Cc1cnc(C[NH2+]CCC2=CCCCCC2)s1 ZINC000352735044 227194025 /nfs/dbraw/zinc/19/40/25/227194025.db2.gz GCVJLLRFTZNNLA-UHFFFAOYSA-N 2 1 293.480 3.575 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000353292972 228081195 /nfs/dbraw/zinc/08/11/95/228081195.db2.gz QGTZXFWBDXONGW-QWHCGFSZSA-N 2 1 299.409 3.631 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C)cc1 ZINC000353777238 228152345 /nfs/dbraw/zinc/15/23/45/228152345.db2.gz XDSMBAGTRYFRRW-GDZNZVCISA-N 2 1 269.392 3.630 20 0 CHADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H](C)CCc1ccsc1 ZINC000480678470 228153412 /nfs/dbraw/zinc/15/34/12/228153412.db2.gz TZBDUEHQJADFBG-JKSUJKDBSA-N 2 1 294.508 3.923 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1)c1c[nH+]ccc1N ZINC000332575334 228163591 /nfs/dbraw/zinc/16/35/91/228163591.db2.gz CSQVWLMXCZZSRG-LJISPDSOSA-N 2 1 273.424 3.504 20 0 CHADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1csc2ccccc12 ZINC000070148847 260152828 /nfs/dbraw/zinc/15/28/28/260152828.db2.gz IIPZNBOEMJHCGK-AWEZNQCLSA-N 2 1 274.433 3.605 20 0 CHADMP C[C@H](C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1)C[NH+](C)C ZINC000310780135 260228506 /nfs/dbraw/zinc/22/85/06/260228506.db2.gz RKKPHQQMPNSYTL-GHMZBOCLSA-N 2 1 289.250 3.842 20 0 CHADMP C1C[C@H]2C[C@H]([NH2+][C@H]3CCCC34CCCCC4)CC[N@H+]2C1 ZINC000313037045 260240468 /nfs/dbraw/zinc/24/04/68/260240468.db2.gz NEKVRRIQQNLPFY-IKGGRYGDSA-N 2 1 276.468 3.706 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)c(C)o1 ZINC000222904874 260247052 /nfs/dbraw/zinc/24/70/52/260247052.db2.gz JTOCXQXIZSABMI-AWEZNQCLSA-N 2 1 278.440 3.667 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c2ccccc21 ZINC000126555353 260354842 /nfs/dbraw/zinc/35/48/42/260354842.db2.gz NDIYUFCWIJPDOG-ZWQIFLOQSA-N 2 1 284.447 3.841 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c2ccccc21 ZINC000126555353 260354843 /nfs/dbraw/zinc/35/48/43/260354843.db2.gz NDIYUFCWIJPDOG-ZWQIFLOQSA-N 2 1 284.447 3.841 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000128132952 260372062 /nfs/dbraw/zinc/37/20/62/260372062.db2.gz MYZSICZJAXHFPC-GOSISDBHSA-N 2 1 290.426 3.741 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000130247617 260394055 /nfs/dbraw/zinc/39/40/55/260394055.db2.gz AQMYUEGIVPUNSN-ZACQAIPSSA-N 2 1 264.457 3.562 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccc(C)cc1)C1CCC1 ZINC000427702227 260813211 /nfs/dbraw/zinc/81/32/11/260813211.db2.gz RPEVHRZYHCINLQ-SFHVURJKSA-N 2 1 283.419 3.631 20 0 CHADMP C[NH+]1CCC([NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000449773397 260845374 /nfs/dbraw/zinc/84/53/74/260845374.db2.gz MXWSCSZTQADBGN-YOEHRIQHSA-N 2 1 292.854 3.660 20 0 CHADMP CC[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000152177069 261060398 /nfs/dbraw/zinc/06/03/98/261060398.db2.gz SAQIPMHNYCSBKN-STQMWFEESA-N 2 1 257.381 3.630 20 0 CHADMP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152867136 261070818 /nfs/dbraw/zinc/07/08/18/261070818.db2.gz QZTORFPEBDFYCF-MPGHIAIKSA-N 2 1 284.447 3.617 20 0 CHADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152867219 261070825 /nfs/dbraw/zinc/07/08/25/261070825.db2.gz QZTORFPEBDFYCF-RVKKMQEKSA-N 2 1 284.447 3.617 20 0 CHADMP CCSc1ccccc1[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000360861190 261120605 /nfs/dbraw/zinc/12/06/05/261120605.db2.gz REEFVWWOOLOLOM-ZIAGYGMSSA-N 2 1 280.481 3.789 20 0 CHADMP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cs1 ZINC000449047086 261126376 /nfs/dbraw/zinc/12/63/76/261126376.db2.gz MVHHGDHDJXBHJR-DOTOQJQBSA-N 2 1 290.476 3.505 20 0 CHADMP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cs1 ZINC000449047086 261126378 /nfs/dbraw/zinc/12/63/78/261126378.db2.gz MVHHGDHDJXBHJR-DOTOQJQBSA-N 2 1 290.476 3.505 20 0 CHADMP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cs1 ZINC000449047086 261126379 /nfs/dbraw/zinc/12/63/79/261126379.db2.gz MVHHGDHDJXBHJR-DOTOQJQBSA-N 2 1 290.476 3.505 20 0 CHADMP c1ccc(CCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157288069 261143637 /nfs/dbraw/zinc/14/36/37/261143637.db2.gz RNWKFJYIZKLLBP-LJQANCHMSA-N 2 1 286.463 3.570 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000462357594 261190229 /nfs/dbraw/zinc/19/02/29/261190229.db2.gz IRWXGKMGXILKNU-LVQVYYBASA-N 2 1 266.473 3.521 20 0 CHADMP CCSCC[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000368421400 261232899 /nfs/dbraw/zinc/23/28/99/261232899.db2.gz ZVXRLSYLZKNLTP-OAHLLOKOSA-N 2 1 292.492 3.555 20 0 CHADMP Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc[nH+]1 ZINC000302545938 261353817 /nfs/dbraw/zinc/35/38/17/261353817.db2.gz GXDZYMVGNYOAJX-APWZRJJASA-N 2 1 295.430 3.855 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000165633635 261374005 /nfs/dbraw/zinc/37/40/05/261374005.db2.gz QNXNMEIOZXRBLI-GFCCVEGCSA-N 2 1 277.799 3.586 20 0 CHADMP C[C@@H]([NH2+]CCC[NH3+])c1ccc(Cl)c(Cl)c1Cl ZINC000037713764 261399912 /nfs/dbraw/zinc/39/99/12/261399912.db2.gz MRUATVDACOBTLZ-SSDOTTSWSA-N 2 1 281.614 3.646 20 0 CHADMP C[C@H]1C[N@H+](Cc2sc3ccccc3c2Cl)CC[C@@H]1[NH3+] ZINC000094341721 262222071 /nfs/dbraw/zinc/22/20/71/262222071.db2.gz OARHXENBDPLLFJ-JQWIXIFHSA-N 2 1 294.851 3.724 20 0 CHADMP C[C@H]1C[N@@H+](Cc2sc3ccccc3c2Cl)CC[C@@H]1[NH3+] ZINC000094341721 262222072 /nfs/dbraw/zinc/22/20/72/262222072.db2.gz OARHXENBDPLLFJ-JQWIXIFHSA-N 2 1 294.851 3.724 20 0 CHADMP C[NH+](C)C1(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CCCCC1 ZINC000503212163 262242424 /nfs/dbraw/zinc/24/24/24/262242424.db2.gz NFWVUYRIWZHVRJ-ZWKOTPCHSA-N 2 1 286.463 3.644 20 0 CHADMP CC1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000390721146 262245568 /nfs/dbraw/zinc/24/55/68/262245568.db2.gz KFWCYYYNTADDRP-VJFUWPCTSA-N 2 1 286.463 3.675 20 0 CHADMP CC1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000390721146 262245570 /nfs/dbraw/zinc/24/55/70/262245570.db2.gz KFWCYYYNTADDRP-VJFUWPCTSA-N 2 1 286.463 3.675 20 0 CHADMP CCC1CCC([NH2+]CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000020555356 262250839 /nfs/dbraw/zinc/25/08/39/262250839.db2.gz AQJBSSDVQNZFSN-KLAILNCOSA-N 2 1 266.473 3.809 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000221913692 262322842 /nfs/dbraw/zinc/32/28/42/262322842.db2.gz FLTMJAXRTFEVCJ-HNNXBMFYSA-N 2 1 274.452 3.556 20 0 CHADMP CC(C)[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000390782848 262346000 /nfs/dbraw/zinc/34/60/00/262346000.db2.gz UGKACKAREGMKCS-PKOBYXMFSA-N 2 1 288.479 3.923 20 0 CHADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(Sc3ccccc3)cc2)C1 ZINC000414648377 263021000 /nfs/dbraw/zinc/02/10/00/263021000.db2.gz BBGWMWUWNDQAQT-MRXNPFEDSA-N 2 1 298.455 3.618 20 0 CHADMP C[C@@H]1C[C@H](C[N@@H+](Cc2ccccc2)C(C)(C)C)CC[NH2+]1 ZINC000414666435 263024750 /nfs/dbraw/zinc/02/47/50/263024750.db2.gz GJGYEVCEXMOIJZ-NVXWUHKLSA-N 2 1 274.452 3.675 20 0 CHADMP CC[N@@H+](CCC[NH3+])[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000414695192 263032966 /nfs/dbraw/zinc/03/29/66/263032966.db2.gz OIJXPHKVBJBXEB-SFHVURJKSA-N 2 1 286.394 3.586 20 0 CHADMP Cc1ccc(C)c([C@H](C)[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414703590 263033352 /nfs/dbraw/zinc/03/33/52/263033352.db2.gz MGCDXICDCLXENA-YESZJQIVSA-N 2 1 274.452 3.684 20 0 CHADMP Cc1ccc(C)c([C@H](C)[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414703588 263033439 /nfs/dbraw/zinc/03/34/39/263033439.db2.gz MGCDXICDCLXENA-ULQDDVLXSA-N 2 1 274.452 3.684 20 0 CHADMP C[C@@H]1C[C@@H](C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)CC[NH2+]1 ZINC000414758783 263039436 /nfs/dbraw/zinc/03/94/36/263039436.db2.gz CUJGXXUWOXFFSI-LWASTNQWSA-N 2 1 298.474 3.785 20 0 CHADMP C[C@H](CC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000414782234 263045815 /nfs/dbraw/zinc/04/58/15/263045815.db2.gz OAFOLSCBYKOQOT-BHIYHBOVSA-N 2 1 286.463 3.502 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000414784215 263046595 /nfs/dbraw/zinc/04/65/95/263046595.db2.gz KQLBQYAVQSIJPF-UFYCRDLUSA-N 2 1 298.474 3.572 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000414784207 263046672 /nfs/dbraw/zinc/04/66/72/263046672.db2.gz KQLBQYAVQSIJPF-AABGKKOBSA-N 2 1 298.474 3.572 20 0 CHADMP C[C@@H]1[C@H]([NH2+][C@H](C[NH3+])C2CCCCC2)C[C@@H]1c1ccccc1 ZINC000414834045 263056868 /nfs/dbraw/zinc/05/68/68/263056868.db2.gz GHOBJIQWYIUAOS-WQANXHIZSA-N 2 1 286.463 3.676 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(C(F)F)c2)CC[N@@H+]1C ZINC000279685687 263056907 /nfs/dbraw/zinc/05/69/07/263056907.db2.gz HHVSMHAOVXIOEN-WFASDCNBSA-N 2 1 282.378 3.539 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(C(F)F)c2)CC[N@H+]1C ZINC000279685687 263056908 /nfs/dbraw/zinc/05/69/08/263056908.db2.gz HHVSMHAOVXIOEN-WFASDCNBSA-N 2 1 282.378 3.539 20 0 CHADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(C(F)F)c2)CC[NH+]1C ZINC000279685687 263056909 /nfs/dbraw/zinc/05/69/09/263056909.db2.gz HHVSMHAOVXIOEN-WFASDCNBSA-N 2 1 282.378 3.539 20 0 CHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(C(F)F)c2)CC[NH+]1C ZINC000279685687 263056910 /nfs/dbraw/zinc/05/69/10/263056910.db2.gz HHVSMHAOVXIOEN-WFASDCNBSA-N 2 1 282.378 3.539 20 0 CHADMP C[C@H]([NH2+]Cc1c(Cl)oc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000414849631 263065962 /nfs/dbraw/zinc/06/59/62/263065962.db2.gz HKSXSDXUVSBWFP-NWDGAFQWSA-N 2 1 292.810 3.564 20 0 CHADMP C[C@@H]([NH2+]Cc1c(Cl)oc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000414849633 263065974 /nfs/dbraw/zinc/06/59/74/263065974.db2.gz HKSXSDXUVSBWFP-VXGBXAGGSA-N 2 1 292.810 3.564 20 0 CHADMP CC[C@H](Cc1ccccc1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414855089 263071603 /nfs/dbraw/zinc/07/16/03/263071603.db2.gz WDIKXRWUZSSSSU-MSOLQXFVSA-N 2 1 274.452 3.505 20 0 CHADMP [NH3+]C1(C[NH2+]Cc2ccc(Cl)s2)CCCCCC1 ZINC000414858253 263074565 /nfs/dbraw/zinc/07/45/65/263074565.db2.gz ILPODSWEFSFJNA-UHFFFAOYSA-N 2 1 272.845 3.543 20 0 CHADMP [NH3+]C1(C[NH2+]Cc2ccc(-c3cccc(F)c3)s2)CCC1 ZINC000414891615 263102290 /nfs/dbraw/zinc/10/22/90/263102290.db2.gz VRMJESJIZRBPQH-UHFFFAOYSA-N 2 1 290.407 3.525 20 0 CHADMP C[C@H](C[NH3+])[NH2+]C(CCc1ccccc1)CCc1ccccc1 ZINC000414926081 263131514 /nfs/dbraw/zinc/13/15/14/263131514.db2.gz JTHGCKOCRCZGAT-QGZVFWFLSA-N 2 1 296.458 3.557 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415032809 263256707 /nfs/dbraw/zinc/25/67/07/263256707.db2.gz AWFMQGQIHOHBPX-WMLDXEAASA-N 2 1 292.854 3.612 20 0 CHADMP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1)C1CCCC1 ZINC000415070772 263261288 /nfs/dbraw/zinc/26/12/88/263261288.db2.gz VNGZZVWREACDIE-UHOSZYNNSA-N 2 1 286.463 3.505 20 0 CHADMP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC000187801670 263269089 /nfs/dbraw/zinc/26/90/89/263269089.db2.gz CEULMMXWUAALBF-POZUXBRTSA-N 2 1 286.463 3.870 20 0 CHADMP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC000187801670 263269090 /nfs/dbraw/zinc/26/90/90/263269090.db2.gz CEULMMXWUAALBF-POZUXBRTSA-N 2 1 286.463 3.870 20 0 CHADMP Cc1ccccc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415094473 263272550 /nfs/dbraw/zinc/27/25/50/263272550.db2.gz XQDRYMQOCZPIJB-MOPGFXCFSA-N 2 1 280.415 3.578 20 0 CHADMP Cc1cccc(CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000415120454 263274539 /nfs/dbraw/zinc/27/45/39/263274539.db2.gz YEVNBXXOIAFFEC-PMACEKPBSA-N 2 1 294.442 3.620 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000474814858 264216166 /nfs/dbraw/zinc/21/61/66/264216166.db2.gz GZPJXSMEFBIABO-SJORKVTESA-N 2 1 277.456 3.776 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cccs2)c1 ZINC000065976573 265007487 /nfs/dbraw/zinc/00/74/87/265007487.db2.gz NRQJCWZBTJPVLV-UHFFFAOYSA-N 2 1 288.460 3.878 20 0 CHADMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cc(F)cc(F)c1 ZINC000094826269 265259771 /nfs/dbraw/zinc/25/97/71/265259771.db2.gz ZBXDIYWKAPPWOP-NSHDSACASA-N 2 1 296.405 3.925 20 0 CHADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(SC)s1 ZINC000356312981 266093405 /nfs/dbraw/zinc/09/34/05/266093405.db2.gz CXYPPWBZANYXFW-UHFFFAOYSA-N 2 1 298.521 3.778 20 0 CHADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(SC)s1 ZINC000356312981 266093402 /nfs/dbraw/zinc/09/34/02/266093402.db2.gz CXYPPWBZANYXFW-UHFFFAOYSA-N 2 1 298.521 3.778 20 0 CHADMP CC[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(C)cc1 ZINC000356818650 266179477 /nfs/dbraw/zinc/17/94/77/266179477.db2.gz WLKQQXMKSDSMRC-ROUUACIJSA-N 2 1 274.452 3.910 20 0 CHADMP CC[C@H]([NH2+]CCC[N@H+](C)C(C)C)c1cc(C)ccc1OC ZINC000357779803 266360073 /nfs/dbraw/zinc/36/00/73/266360073.db2.gz SRFAXSYZHJYKOA-KRWDZBQOSA-N 2 1 292.467 3.775 20 0 CHADMP CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1cc(C)ccc1OC ZINC000357779803 266360076 /nfs/dbraw/zinc/36/00/76/266360076.db2.gz SRFAXSYZHJYKOA-KRWDZBQOSA-N 2 1 292.467 3.775 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(F)F)cc2)[C@H]2CCC[C@@H]21 ZINC000367591929 267103199 /nfs/dbraw/zinc/10/31/99/267103199.db2.gz AHKYQSPZGAUVOT-PMPSAXMXSA-N 2 1 294.389 3.587 20 0 CHADMP CCC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000368401746 267170080 /nfs/dbraw/zinc/17/00/80/267170080.db2.gz GCSYTGGPFPHRNV-GUDVDZBRSA-N 2 1 286.463 3.787 20 0 CHADMP CC1(C)Cc2occc2[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000370670581 267336688 /nfs/dbraw/zinc/33/66/88/267336688.db2.gz FCTCLJHIRJKVNE-IJEWVQPXSA-N 2 1 288.435 3.510 20 0 CHADMP CC1(C)Cc2occc2[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000370670581 267336692 /nfs/dbraw/zinc/33/66/92/267336692.db2.gz FCTCLJHIRJKVNE-IJEWVQPXSA-N 2 1 288.435 3.510 20 0 CHADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc2ccccc2c1 ZINC000534022434 328033058 /nfs/dbraw/zinc/03/30/58/328033058.db2.gz MDMUMAQRPYABSV-LJQANCHMSA-N 2 1 282.431 3.756 20 0 CHADMP C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000563362432 328058965 /nfs/dbraw/zinc/05/89/65/328058965.db2.gz AJNASJYAPRRYLN-APWZRJJASA-N 2 1 297.446 3.826 20 0 CHADMP C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000563362432 328058967 /nfs/dbraw/zinc/05/89/67/328058967.db2.gz AJNASJYAPRRYLN-APWZRJJASA-N 2 1 297.446 3.826 20 0 CHADMP C[C@H]1CC[C@H](c2ccccc2)[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000563362435 328059041 /nfs/dbraw/zinc/05/90/41/328059041.db2.gz AJNASJYAPRRYLN-QFBILLFUSA-N 2 1 297.446 3.826 20 0 CHADMP C[C@H]1CC[C@H](c2ccccc2)[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000563362435 328059042 /nfs/dbraw/zinc/05/90/42/328059042.db2.gz AJNASJYAPRRYLN-QFBILLFUSA-N 2 1 297.446 3.826 20 0 CHADMP Cc1ccc([C@@H](C)[N@H+](C)CCCc2c[nH+]cn2C)c(C)c1 ZINC000563358143 328055984 /nfs/dbraw/zinc/05/59/84/328055984.db2.gz WCHDCQAEHPKLGE-MRXNPFEDSA-N 2 1 285.435 3.663 20 0 CHADMP Cc1ccc([C@@H](C)[N@@H+](C)CCCc2c[nH+]cn2C)c(C)c1 ZINC000563358143 328055987 /nfs/dbraw/zinc/05/59/87/328055987.db2.gz WCHDCQAEHPKLGE-MRXNPFEDSA-N 2 1 285.435 3.663 20 0 CHADMP CCCC[C@H](CC)C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000152085776 328062061 /nfs/dbraw/zinc/06/20/61/328062061.db2.gz HRTMHRRGUPOEQW-JYJNAYRXSA-N 2 1 254.462 3.523 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000268849096 328074468 /nfs/dbraw/zinc/07/44/68/328074468.db2.gz XNCBPIRNNREMBW-SNVBAGLBSA-N 2 1 298.217 3.849 20 0 CHADMP Cc1ccccc1[C@@H]([NH2+]CCCc1c[nH+]cn1C)C(C)C ZINC000563630895 328078810 /nfs/dbraw/zinc/07/88/10/328078810.db2.gz WKJDOZUTEHNDRY-SFHVURJKSA-N 2 1 285.435 3.648 20 0 CHADMP CC[NH2+]CCC[NH2+][C@@H]1CCCOc2ccc(C(C)C)cc21 ZINC000571394768 328118291 /nfs/dbraw/zinc/11/82/91/328118291.db2.gz JYJUQSDJTPKMEO-QGZVFWFLSA-N 2 1 290.451 3.613 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCCF ZINC000284024885 328182723 /nfs/dbraw/zinc/18/27/23/328182723.db2.gz IARNOGFQQIJUIF-AEFFLSMTSA-N 2 1 292.442 3.626 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCCF ZINC000284024885 328182726 /nfs/dbraw/zinc/18/27/26/328182726.db2.gz IARNOGFQQIJUIF-AEFFLSMTSA-N 2 1 292.442 3.626 20 0 CHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCCF ZINC000284024887 328182887 /nfs/dbraw/zinc/18/28/87/328182887.db2.gz IARNOGFQQIJUIF-FUHWJXTLSA-N 2 1 292.442 3.626 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCCF ZINC000284024887 328182888 /nfs/dbraw/zinc/18/28/88/328182888.db2.gz IARNOGFQQIJUIF-FUHWJXTLSA-N 2 1 292.442 3.626 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000268813012 328185983 /nfs/dbraw/zinc/18/59/83/328185983.db2.gz HPCAJZFYHGVDEK-NUJGCVRESA-N 2 1 274.452 3.500 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000268796422 328186243 /nfs/dbraw/zinc/18/62/43/328186243.db2.gz IKZLYWXIZNZKEZ-IOASZLSFSA-N 2 1 288.460 3.720 20 0 CHADMP C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](CCC[NH3+])C1CC1 ZINC000414751207 328219343 /nfs/dbraw/zinc/21/93/43/328219343.db2.gz SHHUFLABQMISKJ-LLVKDONJSA-N 2 1 286.341 3.580 20 0 CHADMP c1ccc2c(c1)cccc2C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789998 328226320 /nfs/dbraw/zinc/22/63/20/328226320.db2.gz ZETPHNPESNUIMA-MSOLQXFVSA-N 2 1 294.442 3.661 20 0 CHADMP CCCC[C@H]1CCC[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414872644 328246115 /nfs/dbraw/zinc/24/61/15/328246115.db2.gz GGNPKTJJWFUGTL-ROUUACIJSA-N 2 1 289.467 3.510 20 0 CHADMP C(C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)CC1CCCCC1 ZINC000395150362 329281432 /nfs/dbraw/zinc/28/14/32/329281432.db2.gz HXWPDUMULYOMOL-SJORKVTESA-N 2 1 264.457 3.563 20 0 CHADMP C[C@@H]([NH2+]Cc1ccc(Sc2ccccc2)cc1)[C@H](C)[NH3+] ZINC000415011852 328298865 /nfs/dbraw/zinc/29/88/65/328298865.db2.gz IPBHRSGQBKFVJN-UONOGXRCSA-N 2 1 286.444 3.663 20 0 CHADMP Cc1ccccc1CC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415083081 328302651 /nfs/dbraw/zinc/30/26/51/328302651.db2.gz FEHOMFQQPGGVDP-PMACEKPBSA-N 2 1 294.442 3.620 20 0 CHADMP Cc1ccsc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415084334 328302745 /nfs/dbraw/zinc/30/27/45/328302745.db2.gz OTUSGAHRCXOPPJ-HOTGVXAUSA-N 2 1 286.444 3.639 20 0 CHADMP CC(C)[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000531944990 328323918 /nfs/dbraw/zinc/32/39/18/328323918.db2.gz RSHILPKGXBCJPG-GOSISDBHSA-N 2 1 274.452 3.533 20 0 CHADMP CC(C)[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000531947318 328328575 /nfs/dbraw/zinc/32/85/75/328328575.db2.gz SAJYGGXFZUWCNN-WBVHZDCISA-N 2 1 266.473 3.665 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000534758347 328360488 /nfs/dbraw/zinc/36/04/88/328360488.db2.gz YURUMEHRKCVCIL-RBUKOAKNSA-N 2 1 286.463 3.524 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000534758347 328360490 /nfs/dbraw/zinc/36/04/90/328360490.db2.gz YURUMEHRKCVCIL-RBUKOAKNSA-N 2 1 286.463 3.524 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000534758347 328360492 /nfs/dbraw/zinc/36/04/92/328360492.db2.gz YURUMEHRKCVCIL-RBUKOAKNSA-N 2 1 286.463 3.524 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000535063735 328382329 /nfs/dbraw/zinc/38/23/29/328382329.db2.gz DFZYQEBIAVFRBD-LLVKDONJSA-N 2 1 295.789 3.725 20 0 CHADMP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261584270 327000682 /nfs/dbraw/zinc/00/06/82/327000682.db2.gz HUYIZJUXNDRSJN-MHOHDPQLSA-N 2 1 299.245 3.724 20 0 CHADMP C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261584270 327000683 /nfs/dbraw/zinc/00/06/83/327000683.db2.gz HUYIZJUXNDRSJN-MHOHDPQLSA-N 2 1 299.245 3.724 20 0 CHADMP CC(C)CC[C@@H]1CCCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000568527282 327002542 /nfs/dbraw/zinc/00/25/42/327002542.db2.gz ORDVRIAYTSOTMX-INIZCTEOSA-N 2 1 277.456 3.643 20 0 CHADMP CC(C)CC[C@@H]1CCCC[N@H+]1CCCc1c[nH+]cn1C ZINC000568527282 327002544 /nfs/dbraw/zinc/00/25/44/327002544.db2.gz ORDVRIAYTSOTMX-INIZCTEOSA-N 2 1 277.456 3.643 20 0 CHADMP Cc1cc2ccccc2nc1N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000557714335 327022198 /nfs/dbraw/zinc/02/21/98/327022198.db2.gz IRLKGVFJZBIWBM-SJPCQFCGSA-N 2 1 295.430 3.605 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc3cc(C)ccc3o2)[C@@H](C)C1 ZINC000557826380 327029405 /nfs/dbraw/zinc/02/94/05/327029405.db2.gz GEIJQTUARJFTIS-WMLDXEAASA-N 2 1 286.419 3.561 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc3cc(C)ccc3o2)[C@@H](C)C1 ZINC000557826380 327029406 /nfs/dbraw/zinc/02/94/06/327029406.db2.gz GEIJQTUARJFTIS-WMLDXEAASA-N 2 1 286.419 3.561 20 0 CHADMP Cc1cnccc1CC[N@@H+](Cc1ccccc1F)C1CC1 ZINC000569218140 327048041 /nfs/dbraw/zinc/04/80/41/327048041.db2.gz ZNYFLSDZMAQTIY-UHFFFAOYSA-N 2 1 284.378 3.736 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C3CCCC3)cc2)C1 ZINC000584206187 327064103 /nfs/dbraw/zinc/06/41/03/327064103.db2.gz JPGPXGGOQUEBEC-KRWDZBQOSA-N 2 1 286.463 3.776 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[C@H]2C(C)(C)C)C1 ZINC000558226547 327079368 /nfs/dbraw/zinc/07/93/68/327079368.db2.gz POXNLOQXKSBCEZ-BRWVUGGUSA-N 2 1 280.500 3.913 20 0 CHADMP Cc1cc(C)c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c(C)c1 ZINC000559312714 327158157 /nfs/dbraw/zinc/15/81/57/327158157.db2.gz RVTKGUZRZCXEGC-IBGZPJMESA-N 2 1 286.463 3.530 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(C)c1 ZINC000559312714 327158159 /nfs/dbraw/zinc/15/81/59/327158159.db2.gz RVTKGUZRZCXEGC-IBGZPJMESA-N 2 1 286.463 3.530 20 0 CHADMP Cc1cc(C)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(C)c1 ZINC000559312714 327158160 /nfs/dbraw/zinc/15/81/60/327158160.db2.gz RVTKGUZRZCXEGC-IBGZPJMESA-N 2 1 286.463 3.530 20 0 CHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CC(C)(C)Cc3occc32)C1 ZINC000151109201 327210269 /nfs/dbraw/zinc/21/02/69/327210269.db2.gz ZUPJRJLMWGMVEI-GOEBONIOSA-N 2 1 290.451 3.615 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CC(C)(C)Cc3occc32)C1 ZINC000151109201 327210271 /nfs/dbraw/zinc/21/02/71/327210271.db2.gz ZUPJRJLMWGMVEI-GOEBONIOSA-N 2 1 290.451 3.615 20 0 CHADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc3ccccc32)C1 ZINC000559504526 327251449 /nfs/dbraw/zinc/25/14/49/327251449.db2.gz FOECVVVSBUZJJK-ICSRJNTNSA-N 2 1 294.442 3.756 20 0 CHADMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000559786022 327261961 /nfs/dbraw/zinc/26/19/61/327261961.db2.gz GEKVMGRLQZIWGX-NRSFXHEJSA-N 2 1 272.436 3.600 20 0 CHADMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000559786022 327261963 /nfs/dbraw/zinc/26/19/63/327261963.db2.gz GEKVMGRLQZIWGX-NRSFXHEJSA-N 2 1 272.436 3.600 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000560581248 327327599 /nfs/dbraw/zinc/32/75/99/327327599.db2.gz GPTMVXNFWVCTGA-GDAAHCPNSA-N 2 1 286.463 3.643 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000560581248 327327600 /nfs/dbraw/zinc/32/76/00/327327600.db2.gz GPTMVXNFWVCTGA-GDAAHCPNSA-N 2 1 286.463 3.643 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1CN[C@H](C)c1ccc(C)cc1 ZINC000560581792 327327702 /nfs/dbraw/zinc/32/77/02/327327702.db2.gz LNBFSRCVCGXWRB-WBVHZDCISA-N 2 1 260.425 3.520 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C)cc1 ZINC000560581792 327327705 /nfs/dbraw/zinc/32/77/05/327327705.db2.gz LNBFSRCVCGXWRB-WBVHZDCISA-N 2 1 260.425 3.520 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C)cc1 ZINC000560581792 327327706 /nfs/dbraw/zinc/32/77/06/327327706.db2.gz LNBFSRCVCGXWRB-WBVHZDCISA-N 2 1 260.425 3.520 20 0 CHADMP CCC[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccccc1 ZINC000560742647 327340541 /nfs/dbraw/zinc/34/05/41/327340541.db2.gz AICSGGYPJKZREK-GOSISDBHSA-N 2 1 274.452 3.773 20 0 CHADMP CCC[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccccc1 ZINC000560742647 327340542 /nfs/dbraw/zinc/34/05/42/327340542.db2.gz AICSGGYPJKZREK-GOSISDBHSA-N 2 1 274.452 3.773 20 0 CHADMP CCC[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccccc1 ZINC000560742647 327340543 /nfs/dbraw/zinc/34/05/43/327340543.db2.gz AICSGGYPJKZREK-GOSISDBHSA-N 2 1 274.452 3.773 20 0 CHADMP c1ccc2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)ccc2c1 ZINC000150749565 327369955 /nfs/dbraw/zinc/36/99/55/327369955.db2.gz XSFZKMVKHPMWIN-SFHVURJKSA-N 2 1 294.442 3.758 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000562019332 327440605 /nfs/dbraw/zinc/44/06/05/327440605.db2.gz JYENNXNPVXIBGT-VQTJNVASSA-N 2 1 298.474 3.738 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000152600843 327562550 /nfs/dbraw/zinc/56/25/50/327562550.db2.gz ILTPPROFKKSAMV-RDJZCZTQSA-N 2 1 275.440 3.554 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(SC)c(F)c1 ZINC000532191533 328703604 /nfs/dbraw/zinc/70/36/04/328703604.db2.gz MWEFEGKQDXGMPK-CYBMUJFWSA-N 2 1 298.471 3.930 20 0 CHADMP C[NH+](CC(C)(C)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377622659 329021374 /nfs/dbraw/zinc/02/13/74/329021374.db2.gz IJAZBIGQDMCAJN-JWTNVVGKSA-N 2 1 286.463 3.521 20 0 CHADMP C[NH+](CC(C)(C)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000377622659 329021376 /nfs/dbraw/zinc/02/13/76/329021376.db2.gz IJAZBIGQDMCAJN-JWTNVVGKSA-N 2 1 286.463 3.521 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CCCC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000394478415 329117385 /nfs/dbraw/zinc/11/73/85/329117385.db2.gz BPKXFCPQAZPNFL-QFBILLFUSA-N 2 1 286.463 3.819 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CCCC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000394478415 329117386 /nfs/dbraw/zinc/11/73/86/329117386.db2.gz BPKXFCPQAZPNFL-QFBILLFUSA-N 2 1 286.463 3.819 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(C)(C)C)cc1 ZINC000178678079 329202175 /nfs/dbraw/zinc/20/21/75/329202175.db2.gz GWZFIKVOVLLVKQ-CYBMUJFWSA-N 2 1 271.408 3.877 20 0 CHADMP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000178968083 329203328 /nfs/dbraw/zinc/20/33/28/329203328.db2.gz WEESLDVBZYPWLW-RTBURBONSA-N 2 1 286.463 3.644 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000178975735 329203629 /nfs/dbraw/zinc/20/36/29/329203629.db2.gz ZDLQBCKNWJTAIB-KBPBESRZSA-N 2 1 294.870 3.763 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](C)c1ccccc1 ZINC000179238865 329206679 /nfs/dbraw/zinc/20/66/79/329206679.db2.gz FUBCJKOPFZFCLZ-OAHLLOKOSA-N 2 1 271.408 3.665 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](C)c1ccccc1 ZINC000179238865 329206681 /nfs/dbraw/zinc/20/66/81/329206681.db2.gz FUBCJKOPFZFCLZ-OAHLLOKOSA-N 2 1 271.408 3.665 20 0 CHADMP CC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccccc1F ZINC000180442453 329217003 /nfs/dbraw/zinc/21/70/03/329217003.db2.gz BQNISMAIUXENOJ-DYVFJYSZSA-N 2 1 289.398 3.708 20 0 CHADMP CC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1F ZINC000180166972 329218264 /nfs/dbraw/zinc/21/82/64/329218264.db2.gz KQNXKXXQXDGSQY-SFHVURJKSA-N 2 1 290.426 3.741 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000180871796 329223644 /nfs/dbraw/zinc/22/36/44/329223644.db2.gz ZZBNSSONCYZRLK-LBPRGKRZSA-N 2 1 291.826 3.579 20 0 CHADMP C[C@H](CCC1CC1)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000469792251 329244333 /nfs/dbraw/zinc/24/43/33/329244333.db2.gz WNINQMOPJBXRDQ-MRXNPFEDSA-N 2 1 274.452 3.677 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000183185213 329245518 /nfs/dbraw/zinc/24/55/18/329245518.db2.gz PJCPGKAVYNRHDI-BZUAXINKSA-N 2 1 290.451 3.892 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000183185213 329245519 /nfs/dbraw/zinc/24/55/19/329245519.db2.gz PJCPGKAVYNRHDI-BZUAXINKSA-N 2 1 290.451 3.892 20 0 CHADMP Cc1nc(C)c([C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)s1 ZINC000183953290 329255246 /nfs/dbraw/zinc/25/52/46/329255246.db2.gz OCUDSLOFHVOSBI-LBPRGKRZSA-N 2 1 295.496 3.533 20 0 CHADMP CCSc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)c1 ZINC000186252216 329340082 /nfs/dbraw/zinc/34/00/82/329340082.db2.gz CCQNLMOKEAVWOD-MRXNPFEDSA-N 2 1 292.492 3.572 20 0 CHADMP CCSc1cccc(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)c1 ZINC000186252216 329340084 /nfs/dbraw/zinc/34/00/84/329340084.db2.gz CCQNLMOKEAVWOD-MRXNPFEDSA-N 2 1 292.492 3.572 20 0 CHADMP CCSc1cccc(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)c1 ZINC000186252216 329340085 /nfs/dbraw/zinc/34/00/85/329340085.db2.gz CCQNLMOKEAVWOD-MRXNPFEDSA-N 2 1 292.492 3.572 20 0 CHADMP CCSc1cccc(C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)c1 ZINC000186252216 329340086 /nfs/dbraw/zinc/34/00/86/329340086.db2.gz CCQNLMOKEAVWOD-MRXNPFEDSA-N 2 1 292.492 3.572 20 0 CHADMP C[C@H]1CC[C@@H]([N@@H+](C)Cc2cc(-n3ccnc3)cs2)C1 ZINC000433048191 330136910 /nfs/dbraw/zinc/13/69/10/330136910.db2.gz VRNPXIONTLPPCG-QWHCGFSZSA-N 2 1 275.421 3.554 20 0 CHADMP C[C@H](CC[NH2+][C@@H](C)C1CCC1)[N@@H+](C)Cc1ccccc1 ZINC000379639761 330146009 /nfs/dbraw/zinc/14/60/09/330146009.db2.gz BATCKIYURAYLSJ-CVEARBPZSA-N 2 1 274.452 3.675 20 0 CHADMP CCC(CC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379656119 330146617 /nfs/dbraw/zinc/14/66/17/330146617.db2.gz OBOQRDAHCXGMQR-QAPCUYQASA-N 2 1 274.452 3.818 20 0 CHADMP CCC(CC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379656119 330146618 /nfs/dbraw/zinc/14/66/18/330146618.db2.gz OBOQRDAHCXGMQR-QAPCUYQASA-N 2 1 274.452 3.818 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)C1CCCC1 ZINC000422726614 330152609 /nfs/dbraw/zinc/15/26/09/330152609.db2.gz FNESRFXBIUVEEB-WBAXXEDZSA-N 2 1 272.436 3.648 20 0 CHADMP CC(C)c1ccc(CCC[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000422756201 330153653 /nfs/dbraw/zinc/15/36/53/330153653.db2.gz HJFCYYGLMZQFRN-HNNXBMFYSA-N 2 1 297.446 3.901 20 0 CHADMP CC(C)=CCC[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423269596 330184381 /nfs/dbraw/zinc/18/43/81/330184381.db2.gz VXADBZUQBAMAAB-ZBFHGGJFSA-N 2 1 252.446 3.619 20 0 CHADMP Cc1cccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000422810151 330156187 /nfs/dbraw/zinc/15/61/87/330156187.db2.gz SVUIWHPJCHEZHY-RBUKOAKNSA-N 2 1 280.415 3.578 20 0 CHADMP CCC(CC)C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422859135 330157795 /nfs/dbraw/zinc/15/77/95/330157795.db2.gz JLLMOUNUNDLIJY-SJORKVTESA-N 2 1 260.425 3.506 20 0 CHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422900688 330162355 /nfs/dbraw/zinc/16/23/55/330162355.db2.gz QWFYVYMZKAAEMA-RDGKXADDSA-N 2 1 284.403 3.675 20 0 CHADMP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000422958493 330164309 /nfs/dbraw/zinc/16/43/09/330164309.db2.gz PIXYMMGVFAHTBZ-VDHUWJSZSA-N 2 1 272.436 3.648 20 0 CHADMP Cc1cc(C[NH2+][C@H]2CCC[C@H]2[NH3+])ccc1-c1ccccc1 ZINC000423066773 330168209 /nfs/dbraw/zinc/16/82/09/330168209.db2.gz XVMPBMUZSULZSI-MOPGFXCFSA-N 2 1 280.415 3.631 20 0 CHADMP FC1(F)CCC[C@@H]1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423158857 330173695 /nfs/dbraw/zinc/17/36/95/330173695.db2.gz XEPOMSAQAHPDTD-PMPSAXMXSA-N 2 1 294.389 3.505 20 0 CHADMP CC[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccccc1F ZINC000423187557 330175680 /nfs/dbraw/zinc/17/56/80/330175680.db2.gz YEQFIHXQCMJCSZ-HNNXBMFYSA-N 2 1 264.388 3.528 20 0 CHADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000423185734 330175684 /nfs/dbraw/zinc/17/56/84/330175684.db2.gz WAISSRVPVPHNAB-LBPRGKRZSA-N 2 1 295.496 3.887 20 0 CHADMP C[C@H]([NH3+])CC[NH2+][C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000423228202 330180486 /nfs/dbraw/zinc/18/04/86/330180486.db2.gz YSBVEYDHMBXSPW-CBAPKCEASA-N 2 1 293.263 3.759 20 0 CHADMP CCc1nc(C)c([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)s1 ZINC000423259224 330183424 /nfs/dbraw/zinc/18/34/24/330183424.db2.gz DIJKXPPKXJSMTN-FZMZJTMJSA-N 2 1 295.496 3.572 20 0 CHADMP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423260587 330183828 /nfs/dbraw/zinc/18/38/28/330183828.db2.gz HPLDKVIWHXLJKP-DGCLKSJQSA-N 2 1 297.512 3.773 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000423266842 330184078 /nfs/dbraw/zinc/18/40/78/330184078.db2.gz SIXCPLKIRBVHIN-XJKCOSOUSA-N 2 1 282.859 3.795 20 0 CHADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(F)c(F)c1 ZINC000423266788 330184159 /nfs/dbraw/zinc/18/41/59/330184159.db2.gz SDLLHDSDMHPVNT-BDJLRTHQSA-N 2 1 282.378 3.523 20 0 CHADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cccs1 ZINC000423267856 330184485 /nfs/dbraw/zinc/18/44/85/330184485.db2.gz UBXHKLQQBWASQG-ZIAGYGMSSA-N 2 1 266.454 3.696 20 0 CHADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000423267680 330184502 /nfs/dbraw/zinc/18/45/02/330184502.db2.gz DBCAOUCMNYIXEN-ZIAGYGMSSA-N 2 1 287.234 3.771 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1sc(C(C)C)nc1C ZINC000423280842 330185409 /nfs/dbraw/zinc/18/54/09/330185409.db2.gz AMRMOKNWFRQKQM-NSHDSACASA-N 2 1 283.485 3.743 20 0 CHADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(-c2cccs2)cc1 ZINC000423283871 330185794 /nfs/dbraw/zinc/18/57/94/330185794.db2.gz FSQMBEZTOYXPJM-GFCCVEGCSA-N 2 1 274.433 3.803 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000423286974 330186106 /nfs/dbraw/zinc/18/61/06/330186106.db2.gz JTQIOFAGFXCYAZ-SNVBAGLBSA-N 2 1 272.795 3.647 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1sc(C(C)(C)C)nc1C ZINC000423286968 330186206 /nfs/dbraw/zinc/18/62/06/330186206.db2.gz JSJDHRRYIHXUAF-NSHDSACASA-N 2 1 297.512 3.917 20 0 CHADMP CC(C)([NH3+])C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000423288154 330186295 /nfs/dbraw/zinc/18/62/95/330186295.db2.gz QTIPDXMVOYYIEW-CYBMUJFWSA-N 2 1 287.234 3.771 20 0 CHADMP CCC[C@H]([NH2+]CC([NH3+])(CC)CC)c1ccsc1 ZINC000423288728 330186451 /nfs/dbraw/zinc/18/64/51/330186451.db2.gz URFQMFSYCAMQLI-ZDUSSCGKSA-N 2 1 254.443 3.696 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(SC)c(OC)c1 ZINC000423294449 330188113 /nfs/dbraw/zinc/18/81/13/330188113.db2.gz BYXKYPLMIKZVLV-TZMCWYRMSA-N 2 1 296.480 3.585 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccccc1SC ZINC000423297802 330188606 /nfs/dbraw/zinc/18/86/06/330188606.db2.gz LYEFFCPFHJTFBY-OLZOCXBDSA-N 2 1 266.454 3.577 20 0 CHADMP C[C@H](C[NH3+])C[NH2+][C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000423297182 330188723 /nfs/dbraw/zinc/18/87/23/330188723.db2.gz JBVFXQFOSKSHPW-APPZFPTMSA-N 2 1 293.263 3.617 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000423303795 330189066 /nfs/dbraw/zinc/18/90/66/330189066.db2.gz XNBOHTTXMUMCLG-BRWVUGGUSA-N 2 1 274.452 3.676 20 0 CHADMP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000423298409 330189084 /nfs/dbraw/zinc/18/90/84/330189084.db2.gz OIPBMXOWJTZOMK-SFYZADRCSA-N 2 1 295.641 3.892 20 0 CHADMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(F)cc1Cl ZINC000423327548 330190545 /nfs/dbraw/zinc/19/05/45/330190545.db2.gz LJGVTQPCKVUZID-ABAIWWIYSA-N 2 1 284.806 3.519 20 0 CHADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(-c2cccs2)cc1 ZINC000423323177 330190553 /nfs/dbraw/zinc/19/05/53/330190553.db2.gz ONKXWJVQQZDCRY-BLLLJJGKSA-N 2 1 286.444 3.803 20 0 CHADMP [NH3+]C1(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CCC1 ZINC000423335923 330191827 /nfs/dbraw/zinc/19/18/27/330191827.db2.gz UJVPWGNRVADOPC-CQSZACIVSA-N 2 1 298.352 3.628 20 0 CHADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(-c2ccc(F)cc2)s1 ZINC000423341521 330192125 /nfs/dbraw/zinc/19/21/25/330192125.db2.gz YAPWKMJOFUIHJN-GHMZBOCLSA-N 2 1 278.396 3.552 20 0 CHADMP CCC[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000423362836 330194111 /nfs/dbraw/zinc/19/41/11/330194111.db2.gz IJYXPORFRMECQF-TVQRCGJNSA-N 2 1 275.223 3.771 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cc(Cl)ccc1Cl ZINC000423397107 330195626 /nfs/dbraw/zinc/19/56/26/330195626.db2.gz ODCXKQONTVPEQC-BHDSKKPTSA-N 2 1 287.234 3.642 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1cc(Cl)ccc1OC ZINC000423398736 330195869 /nfs/dbraw/zinc/19/58/69/330195869.db2.gz VJKJQFIWEDLSMV-WHOFXGATSA-N 2 1 296.842 3.530 20 0 CHADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000423407757 330196969 /nfs/dbraw/zinc/19/69/69/330196969.db2.gz WJHHWJIPAICANT-FZQKWOKYSA-N 2 1 299.245 3.568 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cc2cc(Cl)ccc2o1 ZINC000423391310 330200159 /nfs/dbraw/zinc/20/01/59/330200159.db2.gz KTTXSDGJVUHMIG-COPLHBTASA-N 2 1 292.810 3.735 20 0 CHADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2)s1 ZINC000423446996 330202485 /nfs/dbraw/zinc/20/24/85/330202485.db2.gz OLWHTZMXFFACDP-AGIUHOORSA-N 2 1 274.433 3.801 20 0 CHADMP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000423452440 330203117 /nfs/dbraw/zinc/20/31/17/330203117.db2.gz WIFDXRAGGYLPSH-SRVKXCTJSA-N 2 1 289.448 3.505 20 0 CHADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(-c2ccccc2)s1 ZINC000423456989 330203515 /nfs/dbraw/zinc/20/35/15/330203515.db2.gz FCHYRJGZBTVZBH-TZMCWYRMSA-N 2 1 274.433 3.803 20 0 CHADMP CC[C@@H]([NH3+])C[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1 ZINC000423465616 330204403 /nfs/dbraw/zinc/20/44/03/330204403.db2.gz MURSPONCDUXHSO-HUUCEWRRSA-N 2 1 266.816 3.508 20 0 CHADMP CC[C@H]([NH3+])C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000423471006 330205108 /nfs/dbraw/zinc/20/51/08/330205108.db2.gz PMULTLFKRHVVBG-FZMZJTMJSA-N 2 1 287.234 3.771 20 0 CHADMP C[C@H]1C[C@@H]([NH2+][C@@H](C[NH3+])C2CCCC2)c2ccsc2S1 ZINC000423517065 330209744 /nfs/dbraw/zinc/20/97/44/330209744.db2.gz YNCYCYIGMRHGPM-GDLCADMTSA-N 2 1 296.505 3.781 20 0 CHADMP CCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)s1 ZINC000538717826 330229645 /nfs/dbraw/zinc/22/96/45/330229645.db2.gz BVCZSAFLFXPLMV-KBPBESRZSA-N 2 1 280.481 3.615 20 0 CHADMP CCc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)s1 ZINC000538717826 330229647 /nfs/dbraw/zinc/22/96/47/330229647.db2.gz BVCZSAFLFXPLMV-KBPBESRZSA-N 2 1 280.481 3.615 20 0 CHADMP CCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)s1 ZINC000538717826 330229648 /nfs/dbraw/zinc/22/96/48/330229648.db2.gz BVCZSAFLFXPLMV-KBPBESRZSA-N 2 1 280.481 3.615 20 0 CHADMP CCc1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)s1 ZINC000538717826 330229650 /nfs/dbraw/zinc/22/96/50/330229650.db2.gz BVCZSAFLFXPLMV-KBPBESRZSA-N 2 1 280.481 3.615 20 0 CHADMP Cc1c(C)c(C)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1C ZINC000536841602 330236069 /nfs/dbraw/zinc/23/60/69/330236069.db2.gz VZPLHOWOZBJPNB-KPZWWZAWSA-N 2 1 288.479 3.801 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000527222823 330238019 /nfs/dbraw/zinc/23/80/19/330238019.db2.gz AKCSOECUVUCGMV-GFCCVEGCSA-N 2 1 293.361 3.555 20 0 CHADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)ccn1 ZINC000527641569 330268572 /nfs/dbraw/zinc/26/85/72/330268572.db2.gz VXLFXHQXQUGITQ-UHFFFAOYSA-N 2 1 297.446 3.520 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000527682514 330271079 /nfs/dbraw/zinc/27/10/79/330271079.db2.gz HJZAHRHFUSROGQ-WOJBJXKFSA-N 2 1 298.474 3.954 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC[C@H](c2ccccc2)CC1 ZINC000527649823 330272141 /nfs/dbraw/zinc/27/21/41/330272141.db2.gz KOTFVLVOVGQMKE-OALUTQOASA-N 2 1 297.446 3.898 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC[N@@H+]1C ZINC000527869323 330286028 /nfs/dbraw/zinc/28/60/28/330286028.db2.gz QMHUPKLLQWQMDX-NSODJVPESA-N 2 1 296.817 3.539 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC[N@H+]1C ZINC000527869323 330286029 /nfs/dbraw/zinc/28/60/29/330286029.db2.gz QMHUPKLLQWQMDX-NSODJVPESA-N 2 1 296.817 3.539 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](c2cccc(C)c2)C(C)C)CC1 ZINC000527843173 330287413 /nfs/dbraw/zinc/28/74/13/330287413.db2.gz AXZZHTVNFQSVIG-SFHVURJKSA-N 2 1 274.452 3.766 20 0 CHADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1cc(C)ccc1C ZINC000527851573 330288283 /nfs/dbraw/zinc/28/82/83/330288283.db2.gz ABRGYJBMLGHBSI-KRWDZBQOSA-N 2 1 271.408 3.549 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC12CC2 ZINC000527851751 330288485 /nfs/dbraw/zinc/28/84/85/330288485.db2.gz AZMQRVFKZHPOSB-YTQUADARSA-N 2 1 298.474 3.677 20 0 CHADMP CC[C@@H](C)c1ccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000527892320 330292358 /nfs/dbraw/zinc/29/23/58/330292358.db2.gz NXQIBEOXUMLIPN-CABCVRRESA-N 2 1 285.435 3.827 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C1CCC1)C1CCC1 ZINC000527926081 330296626 /nfs/dbraw/zinc/29/66/26/330296626.db2.gz OJVUDAGHJLLYLJ-HBUWYVDXSA-N 2 1 278.484 3.521 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000044534440 330329786 /nfs/dbraw/zinc/32/97/86/330329786.db2.gz IJKIHVIUJMJNFI-CJNGLKHVSA-N 2 1 280.843 3.723 20 0 CHADMP CC(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044535655 330330066 /nfs/dbraw/zinc/33/00/66/330330066.db2.gz JAXUZRCCVSXJBF-HZPDHXFCSA-N 2 1 274.452 3.802 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CCC2)C2CCCCC2)CC[N@@H+]1C ZINC000424319785 330340042 /nfs/dbraw/zinc/34/00/42/330340042.db2.gz SILAEQVBEBUXCX-OLMNPRSZSA-N 2 1 278.484 3.808 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CCC2)C2CCCCC2)CC[N@H+]1C ZINC000424319785 330340043 /nfs/dbraw/zinc/34/00/43/330340043.db2.gz SILAEQVBEBUXCX-OLMNPRSZSA-N 2 1 278.484 3.808 20 0 CHADMP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC[N@H+]2C1 ZINC000106868960 330341478 /nfs/dbraw/zinc/34/14/78/330341478.db2.gz IMEUTJXEPMANOL-YYWYGQEZSA-N 2 1 276.468 3.562 20 0 CHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424328356 330341586 /nfs/dbraw/zinc/34/15/86/330341586.db2.gz NZVPURQPEXLUGK-KCUHQSDYSA-N 2 1 298.474 3.675 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424328356 330341587 /nfs/dbraw/zinc/34/15/87/330341587.db2.gz NZVPURQPEXLUGK-KCUHQSDYSA-N 2 1 298.474 3.675 20 0 CHADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000424373639 330348285 /nfs/dbraw/zinc/34/82/85/330348285.db2.gz JXAPLWDCLDKFCL-MGPQQGTHSA-N 2 1 296.867 3.736 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(Cl)s1 ZINC000424370691 330348369 /nfs/dbraw/zinc/34/83/69/330348369.db2.gz DXTXVJVXGKYDGE-OUAUKWLOSA-N 2 1 272.845 3.712 20 0 CHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424373529 330348376 /nfs/dbraw/zinc/34/83/76/330348376.db2.gz JPMCAVZYYNKAGE-NWANDNLSSA-N 2 1 272.392 3.662 20 0 CHADMP CC[NH+](CC)C[C@H](C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000045693788 330348804 /nfs/dbraw/zinc/34/88/04/330348804.db2.gz GHRQBOMHEPIGRA-CVEARBPZSA-N 2 1 262.441 3.500 20 0 CHADMP C[C@H](CC[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424387461 330349627 /nfs/dbraw/zinc/34/96/27/330349627.db2.gz YFGHIUQVOZRQBL-SJORKVTESA-N 2 1 286.463 3.644 20 0 CHADMP C[C@H](CC[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424387125 330349703 /nfs/dbraw/zinc/34/97/03/330349703.db2.gz YFGHIUQVOZRQBL-IAGOWNOFSA-N 2 1 286.463 3.644 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)s1 ZINC000089216477 330381341 /nfs/dbraw/zinc/38/13/41/330381341.db2.gz MTLIMUKKQRJQET-QJPTWQEYSA-N 2 1 284.856 3.679 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)s1 ZINC000089216477 330381342 /nfs/dbraw/zinc/38/13/42/330381342.db2.gz MTLIMUKKQRJQET-QJPTWQEYSA-N 2 1 284.856 3.679 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2oc3ccccc3c2C)[C@H](C)C1 ZINC000120000244 330384461 /nfs/dbraw/zinc/38/44/61/330384461.db2.gz PMHMNRLQDVCAGP-CZUORRHYSA-N 2 1 286.419 3.561 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2oc3ccccc3c2C)[C@H](C)C1 ZINC000120000244 330384462 /nfs/dbraw/zinc/38/44/62/330384462.db2.gz PMHMNRLQDVCAGP-CZUORRHYSA-N 2 1 286.419 3.561 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2oc3ccccc3c2C)[C@H](C)C1 ZINC000120000078 330384478 /nfs/dbraw/zinc/38/44/78/330384478.db2.gz PMHMNRLQDVCAGP-CJNGLKHVSA-N 2 1 286.419 3.561 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2oc3ccccc3c2C)[C@H](C)C1 ZINC000120000078 330384479 /nfs/dbraw/zinc/38/44/79/330384479.db2.gz PMHMNRLQDVCAGP-CJNGLKHVSA-N 2 1 286.419 3.561 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCC12CCCCC2 ZINC000449072458 330897266 /nfs/dbraw/zinc/89/72/66/330897266.db2.gz KKZWFIXVKGBASL-NVXWUHKLSA-N 2 1 289.467 3.920 20 0 CHADMP CC[C@H]1CCCC[C@@H]1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000449404695 330923008 /nfs/dbraw/zinc/92/30/08/330923008.db2.gz DTHAMPMUABAXDR-UONOGXRCSA-N 2 1 295.496 3.511 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@@H+](CC/C=C/c2ccccc2)CC1 ZINC000450853327 331002992 /nfs/dbraw/zinc/00/29/92/331002992.db2.gz HKXRDUDUPGMSON-QKIXSCASSA-N 2 1 272.436 3.506 20 0 CHADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000163259414 331010581 /nfs/dbraw/zinc/01/05/81/331010581.db2.gz CVODNTPXIGSOIX-WDEREUQCSA-N 2 1 294.851 3.724 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC000451181736 331019130 /nfs/dbraw/zinc/01/91/30/331019130.db2.gz HVRRIVABTOZEAY-GJYPPUQNSA-N 2 1 297.446 3.848 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC000451181736 331019131 /nfs/dbraw/zinc/01/91/31/331019131.db2.gz HVRRIVABTOZEAY-GJYPPUQNSA-N 2 1 297.446 3.848 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC000163524278 331051357 /nfs/dbraw/zinc/05/13/57/331051357.db2.gz MSNICOWNBXQWGF-OTBWCIGPSA-N 2 1 280.500 3.769 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000453069955 331086284 /nfs/dbraw/zinc/08/62/84/331086284.db2.gz ZMEUPIFHYAQHGS-CRAIPNDOSA-N 2 1 278.484 3.667 20 0 CHADMP CCC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)C1CCC1 ZINC000453107626 331089879 /nfs/dbraw/zinc/08/98/79/331089879.db2.gz LQPBUZGAQHNSKV-WBVHZDCISA-N 2 1 266.473 3.665 20 0 CHADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000453251952 331107876 /nfs/dbraw/zinc/10/78/76/331107876.db2.gz GQDNXCCJKIFGGZ-VFVRVIDISA-N 2 1 290.426 3.521 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000453251952 331107877 /nfs/dbraw/zinc/10/78/77/331107877.db2.gz GQDNXCCJKIFGGZ-VFVRVIDISA-N 2 1 290.426 3.521 20 0 CHADMP CC/C=C\C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453317465 331115708 /nfs/dbraw/zinc/11/57/08/331115708.db2.gz KSWKDQZITLHNKO-JVAJOMTNSA-N 2 1 284.447 3.738 20 0 CHADMP Cc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C2CCC2)o1 ZINC000453344781 331119695 /nfs/dbraw/zinc/11/96/95/331119695.db2.gz JEQTUJIYFRKAIJ-MMNRESRNSA-N 2 1 288.435 3.644 20 0 CHADMP Cc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CCC2)o1 ZINC000453344781 331119696 /nfs/dbraw/zinc/11/96/96/331119696.db2.gz JEQTUJIYFRKAIJ-MMNRESRNSA-N 2 1 288.435 3.644 20 0 CHADMP CSc1ccccc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000453371859 331124070 /nfs/dbraw/zinc/12/40/70/331124070.db2.gz VXSSDZXUVUGKOE-AVOUXACISA-N 2 1 290.476 3.684 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc2c(s1)CCC2 ZINC000453373181 331124492 /nfs/dbraw/zinc/12/44/92/331124492.db2.gz WWAVOFNWTCBBNE-JZIBPQBNSA-N 2 1 290.476 3.513 20 0 CHADMP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(C)c1 ZINC000453387041 331126703 /nfs/dbraw/zinc/12/67/03/331126703.db2.gz ARQWGZIWDDXAOY-GOSISDBHSA-N 2 1 274.452 3.910 20 0 CHADMP Cc1ccsc1[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453390703 331127357 /nfs/dbraw/zinc/12/73/57/331127357.db2.gz DFDPCWVFAKKSNU-CYBMUJFWSA-N 2 1 266.454 3.582 20 0 CHADMP CC(C)C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccccn1 ZINC000453394327 331127882 /nfs/dbraw/zinc/12/78/82/331127882.db2.gz GPTRYINVIWEDGZ-GOSISDBHSA-N 2 1 289.467 3.633 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@H](C)C2 ZINC000453400422 331128602 /nfs/dbraw/zinc/12/86/02/331128602.db2.gz MCHBHGGWEFXGHC-HNAYVOBHSA-N 2 1 286.463 3.692 20 0 CHADMP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc(F)ccc1F ZINC000453410022 331129794 /nfs/dbraw/zinc/12/97/94/331129794.db2.gz UPDWYEGCXUSYSF-QGZVFWFLSA-N 2 1 296.405 3.880 20 0 CHADMP C[C@H](CCc1cccc(F)c1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453410050 331129887 /nfs/dbraw/zinc/12/98/87/331129887.db2.gz URMWMIVGHZGRTO-OAHLLOKOSA-N 2 1 292.442 3.611 20 0 CHADMP C[C@@H]1[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C[C@@H]1c1ccccc1 ZINC000453415018 331130128 /nfs/dbraw/zinc/13/01/28/331130128.db2.gz WYMVIDOWSMRTEF-SNRMKQJTSA-N 2 1 286.463 3.643 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2ccccc21 ZINC000453418677 331130520 /nfs/dbraw/zinc/13/05/20/331130520.db2.gz YQPDCZHSCSVATN-KDOFPFPSSA-N 2 1 272.436 3.699 20 0 CHADMP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(F)cc1F ZINC000453419383 331130562 /nfs/dbraw/zinc/13/05/62/331130562.db2.gz ZAVZMXLISXUYKZ-KRWDZBQOSA-N 2 1 296.405 3.880 20 0 CHADMP CCC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccccc1 ZINC000453428090 331131101 /nfs/dbraw/zinc/13/11/01/331131101.db2.gz PBFOZTFOPXBIAL-GOSISDBHSA-N 2 1 274.452 3.992 20 0 CHADMP Clc1ccccc1C[N@@H+](CC1CC1)CC1CC[NH2+]CC1 ZINC000455659046 331174917 /nfs/dbraw/zinc/17/49/17/331174917.db2.gz OEWHXRAPSREHOD-UHFFFAOYSA-N 2 1 292.854 3.552 20 0 CHADMP C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000459418182 331280617 /nfs/dbraw/zinc/28/06/17/331280617.db2.gz FQONOWJDVXALEU-KXBFYZLASA-N 2 1 286.463 3.652 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC000459437135 331281266 /nfs/dbraw/zinc/28/12/66/331281266.db2.gz QVYQTPQPOOJMPE-UHFFFAOYSA-N 2 1 283.419 3.639 20 0 CHADMP Cc1ccc(CC[C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000459722792 331295881 /nfs/dbraw/zinc/29/58/81/331295881.db2.gz BYUFCTLKFHOVEE-MJGOQNOKSA-N 2 1 288.479 3.638 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@@H](C)c1ccccc1 ZINC000459725006 331296034 /nfs/dbraw/zinc/29/60/34/331296034.db2.gz FMXHXVVFFNXICR-IKGGRYGDSA-N 2 1 274.452 3.500 20 0 CHADMP C[C@H](C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000459727073 331296125 /nfs/dbraw/zinc/29/61/25/331296125.db2.gz CDOBOPAMGNWQFT-HUUCEWRRSA-N 2 1 294.870 3.765 20 0 CHADMP C[C@H](CCC1CCCC1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459727062 331296166 /nfs/dbraw/zinc/29/61/66/331296166.db2.gz CCVHETRXRAHRMD-WBVHZDCISA-N 2 1 266.473 3.667 20 0 CHADMP CC(C)CCC[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459729689 331296352 /nfs/dbraw/zinc/29/63/52/331296352.db2.gz DIPPLCJSGMEIDL-HZPDHXFCSA-N 2 1 254.462 3.523 20 0 CHADMP Cc1ccc(C2CC([NH2+]CC[C@@H]3CCC[N@H+](C)C3)C2)cc1 ZINC000459731738 331296519 /nfs/dbraw/zinc/29/65/19/331296519.db2.gz FQQPTUMAVFOBBN-IVMQYODDSA-N 2 1 286.463 3.563 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cc2ccccc2o1 ZINC000459732682 331296640 /nfs/dbraw/zinc/29/66/40/331296640.db2.gz MNMMNLOFENQHJF-LSDHHAIUSA-N 2 1 286.419 3.815 20 0 CHADMP CC[C@H](C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000459740343 331297279 /nfs/dbraw/zinc/29/72/79/331297279.db2.gz UCSLXBGBHSHFJT-IAGOWNOFSA-N 2 1 274.452 3.502 20 0 CHADMP CCCC[C@H](C)[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459772598 331299969 /nfs/dbraw/zinc/29/99/69/331299969.db2.gz IPNHXBOBKASZIM-HRCADAONSA-N 2 1 254.462 3.523 20 0 CHADMP C[C@@H](CC[NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000459797488 331301499 /nfs/dbraw/zinc/30/14/99/331301499.db2.gz WTZZUMFMFYVAJE-DLBZAZTESA-N 2 1 274.452 3.502 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000459800718 331301564 /nfs/dbraw/zinc/30/15/64/331301564.db2.gz ZZJFMNXNQTZACU-BBWFWOEESA-N 2 1 266.473 3.523 20 0 CHADMP C(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)CC1CCCCC1 ZINC000166140334 331306614 /nfs/dbraw/zinc/30/66/14/331306614.db2.gz BQUFEXVNWJQDSF-DLBZAZTESA-N 2 1 264.457 3.563 20 0 CHADMP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CC[C@@H](C)C1)CC(C)C ZINC000462684050 331325057 /nfs/dbraw/zinc/32/50/57/331325057.db2.gz PZAHCSFYZNOIAH-OAGGEKHMSA-N 2 1 254.462 3.521 20 0 CHADMP CC[N@H+](CC[NH2+][C@H]1C[C@H](C)CC(C)(C)C1)C(C)C ZINC000462782585 331328706 /nfs/dbraw/zinc/32/87/06/331328706.db2.gz XIZORIXJWDXOPL-GJZGRUSLSA-N 2 1 254.462 3.521 20 0 CHADMP CC[N@@H+](CC[NH2+][C@H]1C[C@H](C)CC(C)(C)C1)C(C)C ZINC000462782585 331328707 /nfs/dbraw/zinc/32/87/07/331328707.db2.gz XIZORIXJWDXOPL-GJZGRUSLSA-N 2 1 254.462 3.521 20 0 CHADMP Cc1cc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)ccc1Cl ZINC000462806382 331330059 /nfs/dbraw/zinc/33/00/59/331330059.db2.gz WXPFZQRCBMPNDL-JKIFEVAISA-N 2 1 294.870 3.509 20 0 CHADMP CC(C)=CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463278715 331344783 /nfs/dbraw/zinc/34/47/83/331344783.db2.gz HHCKPSXJRAKFFR-PKOBYXMFSA-N 2 1 286.463 3.985 20 0 CHADMP CC(C)=CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463278715 331344784 /nfs/dbraw/zinc/34/47/84/331344784.db2.gz HHCKPSXJRAKFFR-PKOBYXMFSA-N 2 1 286.463 3.985 20 0 CHADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463437922 331347796 /nfs/dbraw/zinc/34/77/96/331347796.db2.gz VABNKIJHXFHWFB-MCIONIFRSA-N 2 1 292.389 3.524 20 0 CHADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463437922 331347797 /nfs/dbraw/zinc/34/77/97/331347797.db2.gz VABNKIJHXFHWFB-MCIONIFRSA-N 2 1 292.389 3.524 20 0 CHADMP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463437922 331347798 /nfs/dbraw/zinc/34/77/98/331347798.db2.gz VABNKIJHXFHWFB-MCIONIFRSA-N 2 1 292.389 3.524 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000475352429 331628512 /nfs/dbraw/zinc/62/85/12/331628512.db2.gz NTTXWFWFFDOJAJ-KBAYOESNSA-N 2 1 274.452 3.643 20 0 CHADMP C[NH+](C)CC[C@@H]([NH2+]Cc1sccc1Cl)C(C)(C)C ZINC000487278248 331962589 /nfs/dbraw/zinc/96/25/89/331962589.db2.gz LUJRZELKDJGUCD-CYBMUJFWSA-N 2 1 288.888 3.858 20 0 CHADMP C(CC[NH+]1CC[C@H](C2CC2)C1)CC[N@H+]1CC[C@H](C2CC2)C1 ZINC000491115233 332151054 /nfs/dbraw/zinc/15/10/54/332151054.db2.gz DSUUGVJJMOKWAB-OALUTQOASA-N 2 1 290.495 3.621 20 0 CHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccccc2Cl)C1 ZINC000247407793 334280208 /nfs/dbraw/zinc/28/02/08/334280208.db2.gz YIXQTRNJUJTYQA-ZIAGYGMSSA-N 2 1 280.843 3.723 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccccc2Cl)C1 ZINC000247407793 334280210 /nfs/dbraw/zinc/28/02/10/334280210.db2.gz YIXQTRNJUJTYQA-ZIAGYGMSSA-N 2 1 280.843 3.723 20 0 CHADMP CC(C)[NH2+]C1CC[NH+](CCSC2CCCCC2)CC1 ZINC000501012787 332624085 /nfs/dbraw/zinc/62/40/85/332624085.db2.gz XUVZWOWLVZEHCF-UHFFFAOYSA-N 2 1 284.513 3.515 20 0 CHADMP C1=CC[C@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000513411451 333018036 /nfs/dbraw/zinc/01/80/36/333018036.db2.gz MWUHPMQRYQESRL-OALUTQOASA-N 2 1 290.495 3.931 20 0 CHADMP C[C@@H]1C[C@@H](CC[NH2+]CC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000513495339 333022732 /nfs/dbraw/zinc/02/27/32/333022732.db2.gz OKIJNFTZTDAXDU-SJLPKXTDSA-N 2 1 288.479 3.923 20 0 CHADMP C[NH+](C)[C@@H](C[NH2+]C1CCC(C(C)(C)C)CC1)C1CC1 ZINC000513613517 333026735 /nfs/dbraw/zinc/02/67/35/333026735.db2.gz QEUQSKFZCVJPJL-GPANFISMSA-N 2 1 266.473 3.521 20 0 CHADMP CC(C)C[C@H](C)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000309762373 333048966 /nfs/dbraw/zinc/04/89/66/333048966.db2.gz ANEKMHLZWBCSKF-KRWDZBQOSA-N 2 1 288.479 3.923 20 0 CHADMP CCCCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309916871 333051339 /nfs/dbraw/zinc/05/13/39/333051339.db2.gz OPAOVRPCNCRNSD-WMZOPIPTSA-N 2 1 274.452 3.677 20 0 CHADMP CC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000310027204 333052971 /nfs/dbraw/zinc/05/29/71/333052971.db2.gz VWQGKXUOUCKLAC-SJLPKXTDSA-N 2 1 274.452 3.677 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C1CC1 ZINC000177371339 333058292 /nfs/dbraw/zinc/05/82/92/333058292.db2.gz HPOISCQFILAHMA-BJJXKVORSA-N 2 1 278.465 3.519 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CC1 ZINC000177371339 333058293 /nfs/dbraw/zinc/05/82/93/333058293.db2.gz HPOISCQFILAHMA-BJJXKVORSA-N 2 1 278.465 3.519 20 0 CHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CCC1 ZINC000178111180 333067897 /nfs/dbraw/zinc/06/78/97/333067897.db2.gz JECJJSVKPNCMOZ-XHSDSOJGSA-N 2 1 266.473 3.523 20 0 CHADMP CCc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336853002 335121686 /nfs/dbraw/zinc/12/16/86/335121686.db2.gz BYAUMLSXXMVKPM-HUUCEWRRSA-N 2 1 298.430 3.712 20 0 CHADMP CCc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336853002 335121687 /nfs/dbraw/zinc/12/16/87/335121687.db2.gz BYAUMLSXXMVKPM-HUUCEWRRSA-N 2 1 298.430 3.712 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)CCCc2cccc(F)c2)CC1 ZINC000182824170 333117799 /nfs/dbraw/zinc/11/77/99/333117799.db2.gz ZZXAIZMWMYFLBD-UHFFFAOYSA-N 2 1 292.442 3.565 20 0 CHADMP CC(C)[C@H]1CCc2ccccc2[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000184953952 333133716 /nfs/dbraw/zinc/13/37/16/333133716.db2.gz SWMAIMGATMABTF-IEBWSBKVSA-N 2 1 286.463 3.630 20 0 CHADMP CC[C@H](C)[N@H+](C)CC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000219390685 333148428 /nfs/dbraw/zinc/14/84/28/333148428.db2.gz YXMYKVDVHAMDMD-CVEARBPZSA-N 2 1 262.441 3.500 20 0 CHADMP CC[C@H](C)[N@@H+](C)CC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000219390685 333148429 /nfs/dbraw/zinc/14/84/29/333148429.db2.gz YXMYKVDVHAMDMD-CVEARBPZSA-N 2 1 262.441 3.500 20 0 CHADMP CCC[N@H+](CC)CC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000219435166 333149427 /nfs/dbraw/zinc/14/94/27/333149427.db2.gz QVILHXXNMCYLLC-MRXNPFEDSA-N 2 1 262.441 3.502 20 0 CHADMP CCC[N@@H+](CC)CC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000219435166 333149428 /nfs/dbraw/zinc/14/94/28/333149428.db2.gz QVILHXXNMCYLLC-MRXNPFEDSA-N 2 1 262.441 3.502 20 0 CHADMP CCCc1cccc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)c1 ZINC000187032017 333167507 /nfs/dbraw/zinc/16/75/07/333167507.db2.gz NHUBFFCUNLMOPP-QAPCUYQASA-N 2 1 274.452 3.554 20 0 CHADMP CCCc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000187032017 333167508 /nfs/dbraw/zinc/16/75/08/333167508.db2.gz NHUBFFCUNLMOPP-QAPCUYQASA-N 2 1 274.452 3.554 20 0 CHADMP CCCc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000187032017 333167509 /nfs/dbraw/zinc/16/75/09/333167509.db2.gz NHUBFFCUNLMOPP-QAPCUYQASA-N 2 1 274.452 3.554 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCC34CCCC4)CC2)cc1 ZINC000189033389 333178655 /nfs/dbraw/zinc/17/86/55/333178655.db2.gz XDGQDQSGTIAQGE-IBGZPJMESA-N 2 1 298.474 3.963 20 0 CHADMP CCS[C@H]1CCCC[C@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000190034772 333202362 /nfs/dbraw/zinc/20/23/62/333202362.db2.gz GISHLZNAEOKISY-CVEARBPZSA-N 2 1 295.496 3.626 20 0 CHADMP CC[C@H](C)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000521942088 333224586 /nfs/dbraw/zinc/22/45/86/333224586.db2.gz WEESHSGLHAMPQM-GOEBONIOSA-N 2 1 294.508 3.856 20 0 CHADMP CC[C@H](C)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000521942088 333224587 /nfs/dbraw/zinc/22/45/87/333224587.db2.gz WEESHSGLHAMPQM-GOEBONIOSA-N 2 1 294.508 3.856 20 0 CHADMP CC[C@H](C)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000521942088 333224588 /nfs/dbraw/zinc/22/45/88/333224588.db2.gz WEESHSGLHAMPQM-GOEBONIOSA-N 2 1 294.508 3.856 20 0 CHADMP C(C[N@H+]1CCC[C@@H]1C1CCCC1)C[NH+]1CCCCC1 ZINC000193477738 333250982 /nfs/dbraw/zinc/25/09/82/333250982.db2.gz NLZFQCGYJZMTBJ-QGZVFWFLSA-N 2 1 264.457 3.517 20 0 CHADMP CC[C@H]1c2ccsc2CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000195632373 333258135 /nfs/dbraw/zinc/25/81/35/333258135.db2.gz RALZVOOODDPEAS-INIZCTEOSA-N 2 1 292.492 3.933 20 0 CHADMP CC[C@H]1c2ccsc2CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000195632373 333258137 /nfs/dbraw/zinc/25/81/37/333258137.db2.gz RALZVOOODDPEAS-INIZCTEOSA-N 2 1 292.492 3.933 20 0 CHADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000228819887 333297276 /nfs/dbraw/zinc/29/72/76/333297276.db2.gz FAFVZTMHXVTRTH-FAEJEUNOSA-N 2 1 274.452 3.561 20 0 CHADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000228819887 333297277 /nfs/dbraw/zinc/29/72/77/333297277.db2.gz FAFVZTMHXVTRTH-FAEJEUNOSA-N 2 1 274.452 3.561 20 0 CHADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000228819895 333297342 /nfs/dbraw/zinc/29/73/42/333297342.db2.gz FAFVZTMHXVTRTH-ZLPCBKJTSA-N 2 1 274.452 3.561 20 0 CHADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000228819895 333297343 /nfs/dbraw/zinc/29/73/43/333297343.db2.gz FAFVZTMHXVTRTH-ZLPCBKJTSA-N 2 1 274.452 3.561 20 0 CHADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000228819912 333297462 /nfs/dbraw/zinc/29/74/62/333297462.db2.gz SHCVPENIDVGICD-KTAKPFMOSA-N 2 1 294.870 3.906 20 0 CHADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000228819912 333297464 /nfs/dbraw/zinc/29/74/64/333297464.db2.gz SHCVPENIDVGICD-KTAKPFMOSA-N 2 1 294.870 3.906 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000237360551 333379017 /nfs/dbraw/zinc/37/90/17/333379017.db2.gz WOCCYYDGPSOEOE-HNNXBMFYSA-N 2 1 299.462 3.915 20 0 CHADMP C/C(Cl)=C/C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000528436882 333437599 /nfs/dbraw/zinc/43/75/99/333437599.db2.gz GMXGNHMGLBNGPF-LLBKUYECSA-N 2 1 289.810 3.974 20 0 CHADMP C[C@H]([NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1)C1CC(F)(F)C1 ZINC000529530893 333493536 /nfs/dbraw/zinc/49/35/36/333493536.db2.gz JAMZSAHDPIJVMK-VNHYZAJKSA-N 2 1 288.426 3.520 20 0 CHADMP C[NH+]1CCC([NH2+][C@@H]2C[C@@H]3CCC(C)(C)c4cccc2c43)CC1 ZINC000538457726 333593808 /nfs/dbraw/zinc/59/38/08/333593808.db2.gz DMCDBEMFPYSMOW-KBXCAEBGSA-N 2 1 298.474 3.970 20 0 CHADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C)(c2ccccc2)CC1 ZINC000127611545 333632796 /nfs/dbraw/zinc/63/27/96/333632796.db2.gz KNTMPBKUPXCATN-UHFFFAOYSA-N 2 1 297.446 3.635 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccccc1C)C(C)(C)C ZINC000539358594 333667332 /nfs/dbraw/zinc/66/73/32/333667332.db2.gz VCAYVIYYSALGMR-KRWDZBQOSA-N 2 1 285.435 3.877 20 0 CHADMP c1cc(CCC[NH+]2CCC([NH+]3CCCCC3)CC2)cs1 ZINC000541161472 333763547 /nfs/dbraw/zinc/76/35/47/333763547.db2.gz NZPBTNHLTRERCJ-UHFFFAOYSA-N 2 1 292.492 3.631 20 0 CHADMP C[N@H+](Cc1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109871 334072805 /nfs/dbraw/zinc/07/28/05/334072805.db2.gz SJUFAEYWDUJXNJ-FQEVSTJZSA-N 2 1 294.442 3.641 20 0 CHADMP C[NH+](Cc1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109871 334072807 /nfs/dbraw/zinc/07/28/07/334072807.db2.gz SJUFAEYWDUJXNJ-FQEVSTJZSA-N 2 1 294.442 3.641 20 0 CHADMP C[NH+](Cc1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109871 334072808 /nfs/dbraw/zinc/07/28/08/334072808.db2.gz SJUFAEYWDUJXNJ-FQEVSTJZSA-N 2 1 294.442 3.641 20 0 CHADMP C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000564323164 334095529 /nfs/dbraw/zinc/09/55/29/334095529.db2.gz DLLLZIJYADUHBB-HNAYVOBHSA-N 2 1 282.431 3.612 20 0 CHADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc2ccccc2c1 ZINC000564323164 334095530 /nfs/dbraw/zinc/09/55/30/334095530.db2.gz DLLLZIJYADUHBB-HNAYVOBHSA-N 2 1 282.431 3.612 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc2ccccc2c1 ZINC000564323164 334095531 /nfs/dbraw/zinc/09/55/31/334095531.db2.gz DLLLZIJYADUHBB-HNAYVOBHSA-N 2 1 282.431 3.612 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc2ccccc2c1 ZINC000564323164 334095532 /nfs/dbraw/zinc/09/55/32/334095532.db2.gz DLLLZIJYADUHBB-HNAYVOBHSA-N 2 1 282.431 3.612 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000564323164 334095533 /nfs/dbraw/zinc/09/55/33/334095533.db2.gz DLLLZIJYADUHBB-HNAYVOBHSA-N 2 1 282.431 3.612 20 0 CHADMP CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000078005374 334120202 /nfs/dbraw/zinc/12/02/02/334120202.db2.gz SVEVILMLJCIZTN-LPHOPBHVSA-N 2 1 286.463 3.819 20 0 CHADMP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000136206103 334149270 /nfs/dbraw/zinc/14/92/70/334149270.db2.gz KNYBHCZSJWNLPX-OAHLLOKOSA-N 2 1 292.854 3.566 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000136206103 334149271 /nfs/dbraw/zinc/14/92/71/334149271.db2.gz KNYBHCZSJWNLPX-OAHLLOKOSA-N 2 1 292.854 3.566 20 0 CHADMP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000136206150 334149405 /nfs/dbraw/zinc/14/94/05/334149405.db2.gz KNYBHCZSJWNLPX-HNNXBMFYSA-N 2 1 292.854 3.566 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000136206150 334149406 /nfs/dbraw/zinc/14/94/06/334149406.db2.gz KNYBHCZSJWNLPX-HNNXBMFYSA-N 2 1 292.854 3.566 20 0 CHADMP C([NH2+][C@H]1CCC[C@H]2C[C@H]21)[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000548883134 334178707 /nfs/dbraw/zinc/17/87/07/334178707.db2.gz XNJOCHRPVWKKKX-OWLYRPNTSA-N 2 1 276.468 3.562 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CCc1ccc(C(C)C)cc1 ZINC000138020454 334187444 /nfs/dbraw/zinc/18/74/44/334187444.db2.gz KNWONMNHBASAOC-MRXNPFEDSA-N 2 1 299.462 3.783 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](CC)c2ccccc2)C1 ZINC000245417489 334190986 /nfs/dbraw/zinc/19/09/86/334190986.db2.gz GBMQPWYONNCEER-FUHWJXTLSA-N 2 1 274.452 3.801 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](CC)c2ccccc2)C1 ZINC000245417489 334190987 /nfs/dbraw/zinc/19/09/87/334190987.db2.gz GBMQPWYONNCEER-FUHWJXTLSA-N 2 1 274.452 3.801 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](CC)c2ccccc2)C1 ZINC000245417489 334190988 /nfs/dbraw/zinc/19/09/88/334190988.db2.gz GBMQPWYONNCEER-FUHWJXTLSA-N 2 1 274.452 3.801 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000245425942 334192064 /nfs/dbraw/zinc/19/20/64/334192064.db2.gz KZIRQHLGYJVDTA-XJKSGUPXSA-N 2 1 280.843 3.502 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000245425942 334192065 /nfs/dbraw/zinc/19/20/65/334192065.db2.gz KZIRQHLGYJVDTA-XJKSGUPXSA-N 2 1 280.843 3.502 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000245425942 334192067 /nfs/dbraw/zinc/19/20/67/334192067.db2.gz KZIRQHLGYJVDTA-XJKSGUPXSA-N 2 1 280.843 3.502 20 0 CHADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000247139032 334276478 /nfs/dbraw/zinc/27/64/78/334276478.db2.gz WCJUMTPWANMLHI-YQVWRLOYSA-N 2 1 288.479 3.575 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000245465721 334195301 /nfs/dbraw/zinc/19/53/01/334195301.db2.gz QJNPWOFFDXKXDS-IAGOWNOFSA-N 2 1 274.452 3.849 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccco1 ZINC000246923588 334271849 /nfs/dbraw/zinc/27/18/49/334271849.db2.gz GVJLQFNZAACCHF-OWCLPIDISA-N 2 1 278.440 3.688 20 0 CHADMP C[C@H]([NH2+]CC[N@H+](C)C1CCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549623446 334199861 /nfs/dbraw/zinc/19/98/61/334199861.db2.gz AIUXUESYXNCFEP-SNRMKQJTSA-N 2 1 286.463 3.643 20 0 CHADMP C[C@H]([NH2+]CC[N@@H+](C)C1CCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549623446 334199862 /nfs/dbraw/zinc/19/98/62/334199862.db2.gz AIUXUESYXNCFEP-SNRMKQJTSA-N 2 1 286.463 3.643 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C)c(C)c2)C1 ZINC000246948141 334272304 /nfs/dbraw/zinc/27/23/04/334272304.db2.gz HZRUASLERNNPBB-IAGOWNOFSA-N 2 1 274.452 3.686 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000549727382 334203164 /nfs/dbraw/zinc/20/31/64/334203164.db2.gz XPBDUAVTNDAWTE-QGZVFWFLSA-N 2 1 286.463 3.774 20 0 CHADMP CCCC[C@H](CC)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000549840276 334206347 /nfs/dbraw/zinc/20/63/47/334206347.db2.gz FXRYJTYAXHIQCL-IRXDYDNUSA-N 2 1 266.473 3.621 20 0 CHADMP CCCC[C@H](CC)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000549840276 334206348 /nfs/dbraw/zinc/20/63/48/334206348.db2.gz FXRYJTYAXHIQCL-IRXDYDNUSA-N 2 1 266.473 3.621 20 0 CHADMP CCCC[C@H](CC)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000549840276 334206349 /nfs/dbraw/zinc/20/63/49/334206349.db2.gz FXRYJTYAXHIQCL-IRXDYDNUSA-N 2 1 266.473 3.621 20 0 CHADMP C[C@H](C[NH+]1CCC2(CCC[N@@H+]2C)CC1)C1CCCCC1 ZINC000549923136 334209069 /nfs/dbraw/zinc/20/90/69/334209069.db2.gz PIASHMOEOVPQII-MRXNPFEDSA-N 2 1 278.484 3.763 20 0 CHADMP C[C@H](C[NH+]1CCC2(CCC[N@H+]2C)CC1)C1CCCCC1 ZINC000549923136 334209071 /nfs/dbraw/zinc/20/90/71/334209071.db2.gz PIASHMOEOVPQII-MRXNPFEDSA-N 2 1 278.484 3.763 20 0 CHADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000245730894 334215707 /nfs/dbraw/zinc/21/57/07/334215707.db2.gz JUCIMRYLWGGQRV-BLLLJJGKSA-N 2 1 298.833 3.641 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000245730894 334215708 /nfs/dbraw/zinc/21/57/08/334215708.db2.gz JUCIMRYLWGGQRV-BLLLJJGKSA-N 2 1 298.833 3.641 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000245730894 334215713 /nfs/dbraw/zinc/21/57/13/334215713.db2.gz JUCIMRYLWGGQRV-BLLLJJGKSA-N 2 1 298.833 3.641 20 0 CHADMP CCCC[C@@H](C)[N@H+](CCCC)CCn1cc[nH+]c1C ZINC000550370662 334221191 /nfs/dbraw/zinc/22/11/91/334221191.db2.gz UIRDSCPPQBIEQU-OAHLLOKOSA-N 2 1 265.445 3.872 20 0 CHADMP CCCC[C@@H](C)[N@@H+](CCCC)CCn1cc[nH+]c1C ZINC000550370662 334221192 /nfs/dbraw/zinc/22/11/92/334221192.db2.gz UIRDSCPPQBIEQU-OAHLLOKOSA-N 2 1 265.445 3.872 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000245917968 334224079 /nfs/dbraw/zinc/22/40/79/334224079.db2.gz FWDOFLLNBOUGFO-VSZNYVQBSA-N 2 1 278.484 3.808 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(F)c2)C[C@H]1c1ccccc1 ZINC000550605503 334225091 /nfs/dbraw/zinc/22/50/91/334225091.db2.gz GIKQENLYBPWAKT-OALUTQOASA-N 2 1 298.405 3.751 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(F)c2)C[C@H]1c1ccccc1 ZINC000550605503 334225092 /nfs/dbraw/zinc/22/50/92/334225092.db2.gz GIKQENLYBPWAKT-OALUTQOASA-N 2 1 298.405 3.751 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC2(C)C)C[C@H]1c1ccccc1 ZINC000550680202 334226653 /nfs/dbraw/zinc/22/66/53/334226653.db2.gz JDLZLDJRHYLNSA-BZSNNMDCSA-N 2 1 286.463 3.990 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCC2(C)C)C[C@H]1c1ccccc1 ZINC000550680202 334226655 /nfs/dbraw/zinc/22/66/55/334226655.db2.gz JDLZLDJRHYLNSA-BZSNNMDCSA-N 2 1 286.463 3.990 20 0 CHADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+]C1CCCCCC1)C2 ZINC000550843662 334230007 /nfs/dbraw/zinc/23/00/07/334230007.db2.gz ZWGTZHUDNLGREC-UHFFFAOYSA-N 2 1 286.463 3.747 20 0 CHADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+]C1CCCCCC1)C2 ZINC000550843662 334230008 /nfs/dbraw/zinc/23/00/08/334230008.db2.gz ZWGTZHUDNLGREC-UHFFFAOYSA-N 2 1 286.463 3.747 20 0 CHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC2(C)C)CC1 ZINC000551530890 334252823 /nfs/dbraw/zinc/25/28/23/334252823.db2.gz ZFOWJOHFGNZNRH-QAPCUYQASA-N 2 1 286.463 3.990 20 0 CHADMP CC[C@H](CSc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246455177 334258351 /nfs/dbraw/zinc/25/83/51/334258351.db2.gz PLRHBWRKSNKRKK-XHSDSOJGSA-N 2 1 292.492 3.630 20 0 CHADMP CC[C@H](CSc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246455177 334258352 /nfs/dbraw/zinc/25/83/52/334258352.db2.gz PLRHBWRKSNKRKK-XHSDSOJGSA-N 2 1 292.492 3.630 20 0 CHADMP CCC1CC([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000551787706 334261126 /nfs/dbraw/zinc/26/11/26/334261126.db2.gz LBNSJSFSYPZPRZ-PCKAHOCUSA-N 2 1 292.492 3.738 20 0 CHADMP CCC1CC([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000551787706 334261127 /nfs/dbraw/zinc/26/11/27/334261127.db2.gz LBNSJSFSYPZPRZ-PCKAHOCUSA-N 2 1 292.492 3.738 20 0 CHADMP CCC1CC([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000551787702 334261136 /nfs/dbraw/zinc/26/11/36/334261136.db2.gz LBNSJSFSYPZPRZ-HWOWSKLDSA-N 2 1 292.492 3.738 20 0 CHADMP CCC1CC([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000551787702 334261137 /nfs/dbraw/zinc/26/11/37/334261137.db2.gz LBNSJSFSYPZPRZ-HWOWSKLDSA-N 2 1 292.492 3.738 20 0 CHADMP CC(C)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000247132881 334276198 /nfs/dbraw/zinc/27/61/98/334276198.db2.gz RTVOBBMZPNCEML-PBWTXFEYSA-N 2 1 288.479 3.745 20 0 CHADMP Cc1ccc(C(C)(C)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000247142944 334276438 /nfs/dbraw/zinc/27/64/38/334276438.db2.gz WKVOHVIFYUQUMF-JFIYKMOQSA-N 2 1 288.479 3.591 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(Cl)c2)C1 ZINC000246859167 334270646 /nfs/dbraw/zinc/27/06/46/334270646.db2.gz CXKVEIQPSKWGOU-KGLIPLIRSA-N 2 1 280.843 3.723 20 0 CHADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(-c3ccccc3)o2)C1 ZINC000247213610 334277399 /nfs/dbraw/zinc/27/73/99/334277399.db2.gz XCZRATIUXAAFFU-HZPDHXFCSA-N 2 1 298.430 3.939 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(-c3ccccc3)o2)C1 ZINC000247213610 334277400 /nfs/dbraw/zinc/27/74/00/334277400.db2.gz XCZRATIUXAAFFU-HZPDHXFCSA-N 2 1 298.430 3.939 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247954152 334292017 /nfs/dbraw/zinc/29/20/17/334292017.db2.gz FIILCIXDPWRYDV-UKPHBRMFSA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247954152 334292019 /nfs/dbraw/zinc/29/20/19/334292019.db2.gz FIILCIXDPWRYDV-UKPHBRMFSA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247954152 334292020 /nfs/dbraw/zinc/29/20/20/334292020.db2.gz FIILCIXDPWRYDV-UKPHBRMFSA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247954152 334292021 /nfs/dbraw/zinc/29/20/21/334292021.db2.gz FIILCIXDPWRYDV-UKPHBRMFSA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](CCc1cccc(F)c1)[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000248390965 334299812 /nfs/dbraw/zinc/29/98/12/334299812.db2.gz UODSPOJBOUMOPP-IIDMSEBBSA-N 2 1 292.442 3.561 20 0 CHADMP C[C@H](CCc1cccc(F)c1)[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000248390965 334299813 /nfs/dbraw/zinc/29/98/13/334299813.db2.gz UODSPOJBOUMOPP-IIDMSEBBSA-N 2 1 292.442 3.561 20 0 CHADMP C[C@H](CCc1cccc(F)c1)[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000248390965 334299814 /nfs/dbraw/zinc/29/98/14/334299814.db2.gz UODSPOJBOUMOPP-IIDMSEBBSA-N 2 1 292.442 3.561 20 0 CHADMP C[C@H](CCc1cccc(F)c1)[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248390965 334299815 /nfs/dbraw/zinc/29/98/15/334299815.db2.gz UODSPOJBOUMOPP-IIDMSEBBSA-N 2 1 292.442 3.561 20 0 CHADMP CCC[C@H](NCCC[N@H+]1CCCC[C@H]1C)c1cccnc1 ZINC000248481309 334303731 /nfs/dbraw/zinc/30/37/31/334303731.db2.gz BCTPORCEZIEBTN-AEFFLSMTSA-N 2 1 289.467 3.777 20 0 CHADMP CCC[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cccnc1 ZINC000248481309 334303732 /nfs/dbraw/zinc/30/37/32/334303732.db2.gz BCTPORCEZIEBTN-AEFFLSMTSA-N 2 1 289.467 3.777 20 0 CHADMP CCC[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cccnc1 ZINC000248481309 334303733 /nfs/dbraw/zinc/30/37/33/334303733.db2.gz BCTPORCEZIEBTN-AEFFLSMTSA-N 2 1 289.467 3.777 20 0 CHADMP CC(C)[C@@H]1CC[C@H]1[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000552225803 334305549 /nfs/dbraw/zinc/30/55/49/334305549.db2.gz OKSOMHYUEVBNAG-YESZJQIVSA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)Cc1ccccc1 ZINC000248676046 334312715 /nfs/dbraw/zinc/31/27/15/334312715.db2.gz AFRAJUIRFMCMGE-YTQUADARSA-N 2 1 288.479 3.574 20 0 CHADMP C[C@@H](CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000248872469 334320182 /nfs/dbraw/zinc/32/01/82/334320182.db2.gz IEOLZAIFFRFSIG-ROUUACIJSA-N 2 1 286.463 3.598 20 0 CHADMP CCCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000249728268 334339560 /nfs/dbraw/zinc/33/95/60/334339560.db2.gz ZMQJQUDRPXGRNY-IPELMVKDSA-N 2 1 286.463 3.917 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1CCc1ccccc1 ZINC000089425681 334345027 /nfs/dbraw/zinc/34/50/27/334345027.db2.gz FATHSGGOIZHWPB-RBUKOAKNSA-N 2 1 286.463 3.568 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000089425681 334345028 /nfs/dbraw/zinc/34/50/28/334345028.db2.gz FATHSGGOIZHWPB-RBUKOAKNSA-N 2 1 286.463 3.568 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000089425681 334345029 /nfs/dbraw/zinc/34/50/29/334345029.db2.gz FATHSGGOIZHWPB-RBUKOAKNSA-N 2 1 286.463 3.568 20 0 CHADMP CCCC[C@@H](CC)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594626 334347297 /nfs/dbraw/zinc/34/72/97/334347297.db2.gz QCVJQUJIYYTHCO-QGZVFWFLSA-N 2 1 296.499 3.580 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)Cc1ccccc1 ZINC000090016001 334355781 /nfs/dbraw/zinc/35/57/81/334355781.db2.gz NAHROUQCPPEVPL-RYRKJORJSA-N 2 1 288.479 3.574 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000251524146 334363261 /nfs/dbraw/zinc/36/32/61/334363261.db2.gz LMYSFUCRDQYIPX-UONOGXRCSA-N 2 1 280.843 3.723 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000252216113 334377199 /nfs/dbraw/zinc/37/71/99/334377199.db2.gz ZFUAUBHIAGIYKD-YSHGAJCASA-N 2 1 286.463 3.785 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2c2ccccc2)CC[N@H+]1C ZINC000252216113 334377200 /nfs/dbraw/zinc/37/72/00/334377200.db2.gz ZFUAUBHIAGIYKD-YSHGAJCASA-N 2 1 286.463 3.785 20 0 CHADMP c1ccc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)ccc2c1 ZINC000252673237 334384780 /nfs/dbraw/zinc/38/47/80/334384780.db2.gz HQPWEVSQXKWWOS-OALUTQOASA-N 2 1 280.415 3.556 20 0 CHADMP C1C[C@H]2C[C@H]([NH2+][C@@H]3CC[C@H]4CCCC[C@@H]4C3)CC[N@H+]2C1 ZINC000252673290 334384935 /nfs/dbraw/zinc/38/49/35/334384935.db2.gz IMEUTJXEPMANOL-ZKXLYKBJSA-N 2 1 276.468 3.562 20 0 CHADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000252715159 334386125 /nfs/dbraw/zinc/38/61/25/334386125.db2.gz UVCYJNFOTOIUOW-GWFLUQINSA-N 2 1 286.463 3.643 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000252715159 334386126 /nfs/dbraw/zinc/38/61/26/334386126.db2.gz UVCYJNFOTOIUOW-GWFLUQINSA-N 2 1 286.463 3.643 20 0 CHADMP CCC(C)(C)C1CCC([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000252715732 334386312 /nfs/dbraw/zinc/38/63/12/334386312.db2.gz WOBLRRKFTNIWJO-VXLLPVPCSA-N 2 1 280.500 3.911 20 0 CHADMP CCC(C)(C)C1CCC([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000252715732 334386313 /nfs/dbraw/zinc/38/63/13/334386313.db2.gz WOBLRRKFTNIWJO-VXLLPVPCSA-N 2 1 280.500 3.911 20 0 CHADMP Cc1ccc2cc[nH+]c(NC3CC([NH+]4CCCCC4)C3)c2c1 ZINC000565537641 334572239 /nfs/dbraw/zinc/57/22/39/334572239.db2.gz NKNATPDTOWEWRV-UHFFFAOYSA-N 2 1 295.430 3.972 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000267214795 334695724 /nfs/dbraw/zinc/69/57/24/334695724.db2.gz IDVUQUOAQHDFPR-AWEZNQCLSA-N 2 1 279.387 3.696 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+]CC(C3CC3)C3CC3)CC2)cc1 ZINC000309582054 334703748 /nfs/dbraw/zinc/70/37/48/334703748.db2.gz MOGPYMCGGQAJEF-UHFFFAOYSA-N 2 1 298.474 3.677 20 0 CHADMP Cc1ccc2cc([C@@H](C)[NH2+]CCC[NH2+]C(C)C)oc2c1 ZINC000568252800 334808783 /nfs/dbraw/zinc/80/87/83/334808783.db2.gz ZCZDZJBHCQKTQL-CQSZACIVSA-N 2 1 274.408 3.780 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000164629770 334884226 /nfs/dbraw/zinc/88/42/26/334884226.db2.gz VPURAMYAAUPNPH-DLBZAZTESA-N 2 1 277.456 3.776 20 0 CHADMP Cc1cc[nH+]c(NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000347747361 335403444 /nfs/dbraw/zinc/40/34/44/335403444.db2.gz YVDCOIRACFQDKN-UHFFFAOYSA-N 2 1 295.430 3.714 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](c1ccccc1)C(C)C ZINC000178183325 335421014 /nfs/dbraw/zinc/42/10/14/335421014.db2.gz RTEKNFDHTWXUKY-YJBOKZPZSA-N 2 1 285.435 3.815 20 0 CHADMP COc1ccccc1[C@@H](C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000184496282 335927252 /nfs/dbraw/zinc/92/72/52/335927252.db2.gz KFSVEORPRCQYAT-JKSUJKDBSA-N 2 1 290.451 3.610 20 0 CHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3sccc3Cl)C2)CC1 ZINC000581098976 336008184 /nfs/dbraw/zinc/00/81/84/336008184.db2.gz HARYAISNUAKQMQ-ZDUSSCGKSA-N 2 1 298.883 3.565 20 0 CHADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(OC)c(Cl)c1 ZINC000581100237 336008260 /nfs/dbraw/zinc/00/82/60/336008260.db2.gz RQROYJKKSYTKKB-UHFFFAOYSA-N 2 1 298.858 3.512 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC)c(Cl)c1 ZINC000581100237 336008261 /nfs/dbraw/zinc/00/82/61/336008261.db2.gz RQROYJKKSYTKKB-UHFFFAOYSA-N 2 1 298.858 3.512 20 0 CHADMP C[NH+](C)C1(C[NH2+][C@@H]2CCCC23CCCC3)CCCC1 ZINC000380933912 336039876 /nfs/dbraw/zinc/03/98/76/336039876.db2.gz PCQGMCVXJHQXHK-OAHLLOKOSA-N 2 1 264.457 3.563 20 0 CHADMP CCC[C@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000382053912 336080836 /nfs/dbraw/zinc/08/08/36/336080836.db2.gz NNNUFXMDZIVEEG-UHOSZYNNSA-N 2 1 286.463 3.629 20 0 CHADMP CCC[C@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000382053912 336080838 /nfs/dbraw/zinc/08/08/38/336080838.db2.gz NNNUFXMDZIVEEG-UHOSZYNNSA-N 2 1 286.463 3.629 20 0 CHADMP CCC[C@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000382053912 336080839 /nfs/dbraw/zinc/08/08/39/336080839.db2.gz NNNUFXMDZIVEEG-UHOSZYNNSA-N 2 1 286.463 3.629 20 0 CHADMP CCC[C@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000382053914 336080864 /nfs/dbraw/zinc/08/08/64/336080864.db2.gz NNNUFXMDZIVEEG-YTQUADARSA-N 2 1 286.463 3.629 20 0 CHADMP CCC[C@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000382053914 336080865 /nfs/dbraw/zinc/08/08/65/336080865.db2.gz NNNUFXMDZIVEEG-YTQUADARSA-N 2 1 286.463 3.629 20 0 CHADMP CCC[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000382053914 336080866 /nfs/dbraw/zinc/08/08/66/336080866.db2.gz NNNUFXMDZIVEEG-YTQUADARSA-N 2 1 286.463 3.629 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000386687383 336177174 /nfs/dbraw/zinc/17/71/74/336177174.db2.gz KNQOGGBYOBBQSR-SIXWZSSISA-N 2 1 280.415 3.585 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000129715290 521172389 /nfs/dbraw/zinc/17/23/89/521172389.db2.gz WSAHBGKYOLQWAI-OIISXLGYSA-N 2 1 260.425 3.600 20 0 CHADMP C[C@H](CC1CCCCC1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352706672 533782980 /nfs/dbraw/zinc/78/29/80/533782980.db2.gz PNKHKIICFCRUHO-CYBMUJFWSA-N 2 1 295.496 3.653 20 0 CHADMP C[C@@H]1CCCC[N@@H+]1CCNc1cc[nH+]c2cc(F)ccc12 ZINC000354674989 534159218 /nfs/dbraw/zinc/15/92/18/534159218.db2.gz GICCOFNBBXWPED-CYBMUJFWSA-N 2 1 287.382 3.660 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCNc1cc[nH+]c2cc(F)ccc12 ZINC000354674989 534159226 /nfs/dbraw/zinc/15/92/26/534159226.db2.gz GICCOFNBBXWPED-CYBMUJFWSA-N 2 1 287.382 3.660 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)C2(C)CC2)c1 ZINC000161722347 519629685 /nfs/dbraw/zinc/62/96/85/519629685.db2.gz ALBLBZNGJJWXDK-HNNXBMFYSA-N 2 1 274.452 3.805 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC23CCC3)c1 ZINC000337422369 519629973 /nfs/dbraw/zinc/62/99/73/519629973.db2.gz FZISGLVNIUNQKT-SFHVURJKSA-N 2 1 286.463 3.949 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccs2)C1 ZINC000125785780 519678236 /nfs/dbraw/zinc/67/82/36/519678236.db2.gz GOSYTVGMNNQIAY-UONOGXRCSA-N 2 1 266.454 3.519 20 0 CHADMP CC(C)Oc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000130111245 519783749 /nfs/dbraw/zinc/78/37/49/519783749.db2.gz KNMSIVAUNCBAMG-YQQAZPJKSA-N 2 1 290.451 3.607 20 0 CHADMP CC(C)Oc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000130111245 519783750 /nfs/dbraw/zinc/78/37/50/519783750.db2.gz KNMSIVAUNCBAMG-YQQAZPJKSA-N 2 1 290.451 3.607 20 0 CHADMP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000036967529 519820627 /nfs/dbraw/zinc/82/06/27/519820627.db2.gz JUKGSLQGCCQLDH-FBVQUNGASA-N 2 1 272.436 3.599 20 0 CHADMP CCCOc1ccc([C@H](C)[NH2+]C2CC[NH+](CC)CC2)cc1 ZINC000038097947 520426884 /nfs/dbraw/zinc/42/68/84/520426884.db2.gz ZAWHOKHWBLWRAU-HNNXBMFYSA-N 2 1 290.451 3.610 20 0 CHADMP CCC[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccsc1 ZINC000278971366 520777579 /nfs/dbraw/zinc/77/75/79/520777579.db2.gz NOOAQUQBTMJCKN-DZGCQCFKSA-N 2 1 289.448 3.638 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000129715290 521172387 /nfs/dbraw/zinc/17/23/87/521172387.db2.gz WSAHBGKYOLQWAI-OIISXLGYSA-N 2 1 260.425 3.600 20 0 CHADMP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040592938 522930042 /nfs/dbraw/zinc/93/00/42/522930042.db2.gz KRIORTWDKZUCMT-CZUORRHYSA-N 2 1 280.843 3.723 20 0 CHADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040592938 522930048 /nfs/dbraw/zinc/93/00/48/522930048.db2.gz KRIORTWDKZUCMT-CZUORRHYSA-N 2 1 280.843 3.723 20 0 CHADMP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1csc2ccccc12 ZINC000340371593 522938292 /nfs/dbraw/zinc/93/82/92/522938292.db2.gz UFLYZAFHOSHYFR-OAHLLOKOSA-N 2 1 288.460 3.817 20 0 CHADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1csc2ccccc12 ZINC000340371593 522938304 /nfs/dbraw/zinc/93/83/04/522938304.db2.gz UFLYZAFHOSHYFR-OAHLLOKOSA-N 2 1 288.460 3.817 20 0 CHADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1csc2ccccc12 ZINC000340371593 522938310 /nfs/dbraw/zinc/93/83/10/522938310.db2.gz UFLYZAFHOSHYFR-OAHLLOKOSA-N 2 1 288.460 3.817 20 0 CHADMP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1csc2ccccc12 ZINC000340371593 522938320 /nfs/dbraw/zinc/93/83/20/522938320.db2.gz UFLYZAFHOSHYFR-OAHLLOKOSA-N 2 1 288.460 3.817 20 0 CHADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277099015 523099737 /nfs/dbraw/zinc/09/97/37/523099737.db2.gz GIZWALAZHMFSLN-SJORKVTESA-N 2 1 260.425 3.554 20 0 CHADMP C[N@@H+]1CCC[C@H](CNc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000044537696 523840148 /nfs/dbraw/zinc/84/01/48/523840148.db2.gz FXQGDCBBKPKIFU-GFCCVEGCSA-N 2 1 289.810 3.642 20 0 CHADMP C[N@H+]1CCC[C@H](CNc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000044537696 523840152 /nfs/dbraw/zinc/84/01/52/523840152.db2.gz FXQGDCBBKPKIFU-GFCCVEGCSA-N 2 1 289.810 3.642 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]CCC2(F)CCC2)C[C@H]1c1ccccc1 ZINC000340394297 523968409 /nfs/dbraw/zinc/96/84/09/523968409.db2.gz ORLFSEIKKGFNKS-SJORKVTESA-N 2 1 290.426 3.694 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CCC2(F)CCC2)C[C@H]1c1ccccc1 ZINC000340394297 523968414 /nfs/dbraw/zinc/96/84/14/523968414.db2.gz ORLFSEIKKGFNKS-SJORKVTESA-N 2 1 290.426 3.694 20 0 CHADMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ccco2)C1 ZINC000069706746 524095970 /nfs/dbraw/zinc/09/59/70/524095970.db2.gz AOUQJSDDADQBDO-INIZCTEOSA-N 2 1 298.430 3.801 20 0 CHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccco2)C1 ZINC000069706746 524095980 /nfs/dbraw/zinc/09/59/80/524095980.db2.gz AOUQJSDDADQBDO-INIZCTEOSA-N 2 1 298.430 3.801 20 0 CHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc[nH]c1 ZINC000086251009 524114474 /nfs/dbraw/zinc/11/44/74/524114474.db2.gz CYKDJBRWZNMPSD-MRXNPFEDSA-N 2 1 297.446 3.679 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc2ccccc2s1 ZINC000290359800 524899397 /nfs/dbraw/zinc/89/93/97/524899397.db2.gz GUCGLGNRSFFEGW-CZUORRHYSA-N 2 1 288.460 3.673 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc2ccccc2s1 ZINC000290359800 524899408 /nfs/dbraw/zinc/89/94/08/524899408.db2.gz GUCGLGNRSFFEGW-CZUORRHYSA-N 2 1 288.460 3.673 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc2ccccc2s1 ZINC000290359800 524899417 /nfs/dbraw/zinc/89/94/17/524899417.db2.gz GUCGLGNRSFFEGW-CZUORRHYSA-N 2 1 288.460 3.673 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc2ccccc2s1 ZINC000290359800 524899426 /nfs/dbraw/zinc/89/94/26/524899426.db2.gz GUCGLGNRSFFEGW-CZUORRHYSA-N 2 1 288.460 3.673 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CCC[NH+]2CCCC2)c2ccsc2S1 ZINC000130251822 524919965 /nfs/dbraw/zinc/91/99/65/524919965.db2.gz CZLTVODSMNWONO-JSGCOSHPSA-N 2 1 296.505 3.749 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@H]2CC=CCC2)CC1 ZINC000120672501 525138192 /nfs/dbraw/zinc/13/81/92/525138192.db2.gz AWVRZNOYUZROJQ-SFHVURJKSA-N 2 1 298.474 3.905 20 0 CHADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)c2ccccc21 ZINC000340354689 525373255 /nfs/dbraw/zinc/37/32/55/525373255.db2.gz HIMAIDITJYQYJG-ZDUSSCGKSA-N 2 1 297.377 3.606 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)s1 ZINC000275584176 525398441 /nfs/dbraw/zinc/39/84/41/525398441.db2.gz PFMSQWFCIABUIU-QWRGUYRKSA-N 2 1 295.839 3.511 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(F)c(F)c1 ZINC000037786255 525399095 /nfs/dbraw/zinc/39/90/95/525399095.db2.gz PIFLFGIRJAZODF-GFCCVEGCSA-N 2 1 296.405 3.878 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc2ccccc21 ZINC000093978074 525617456 /nfs/dbraw/zinc/61/74/56/525617456.db2.gz PREAVEQNOPUMDS-VYDXJSESSA-N 2 1 282.431 3.973 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc2ccccc21 ZINC000093978074 525617460 /nfs/dbraw/zinc/61/74/60/525617460.db2.gz PREAVEQNOPUMDS-VYDXJSESSA-N 2 1 282.431 3.973 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000037140981 525722965 /nfs/dbraw/zinc/72/29/65/525722965.db2.gz CFVXJQBDCODSGI-OAHLLOKOSA-N 2 1 272.436 3.581 20 0 CHADMP C[C@@]1(c2ccccc2)CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000187758207 525897767 /nfs/dbraw/zinc/89/77/67/525897767.db2.gz UZEIDMTYZZHKME-XKGZKEIXSA-N 2 1 298.474 3.571 20 0 CHADMP [NH3+][C@@H]1CCC[C@@H](CNc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000227668225 527351395 /nfs/dbraw/zinc/35/13/95/527351395.db2.gz QTLKOHPCRHLEHY-DGCLKSJQSA-N 2 1 289.810 3.818 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000127978623 527405005 /nfs/dbraw/zinc/40/50/05/527405005.db2.gz LSKWSOVJCBSTGN-CQSZACIVSA-N 2 1 289.398 3.504 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CCc1ccc(C)cc1 ZINC000338010139 527419716 /nfs/dbraw/zinc/41/97/16/527419716.db2.gz XXJRJMCIRVPYHG-INIZCTEOSA-N 2 1 285.435 3.501 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](C(C)C)[C@H](C)c1ccccc1 ZINC000292387110 527425320 /nfs/dbraw/zinc/42/53/20/527425320.db2.gz ZNINGGXSEVNBEV-OAHLLOKOSA-N 2 1 271.408 3.663 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](C(C)C)[C@H](C)c1ccccc1 ZINC000292387110 527425324 /nfs/dbraw/zinc/42/53/24/527425324.db2.gz ZNINGGXSEVNBEV-OAHLLOKOSA-N 2 1 271.408 3.663 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(F)c2ccccc21 ZINC000289440814 527433884 /nfs/dbraw/zinc/43/38/84/527433884.db2.gz OJYZBTGTDIYVHX-CYBMUJFWSA-N 2 1 297.377 3.835 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C(C)C)c2)[C@H](C)C1 ZINC000480671345 527881964 /nfs/dbraw/zinc/88/19/64/527881964.db2.gz XRJXOPMHDORKLN-QAPCUYQASA-N 2 1 274.452 3.630 20 0 CHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccccn1 ZINC000347000915 528171730 /nfs/dbraw/zinc/17/17/30/528171730.db2.gz UPRDVYFXFJXKBJ-BQFCYCMXSA-N 2 1 289.467 3.633 20 0 CHADMP CC(C)C[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192918137 528268059 /nfs/dbraw/zinc/26/80/59/528268059.db2.gz YGWZYDKMIAQQFF-SJLPKXTDSA-N 2 1 274.452 3.533 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC1CCCC1 ZINC000191473379 528863600 /nfs/dbraw/zinc/86/36/00/528863600.db2.gz AVVHFRSNVJCAPY-UHFFFAOYSA-N 2 1 277.456 3.738 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC1CCCC1 ZINC000191473379 528863605 /nfs/dbraw/zinc/86/36/05/528863605.db2.gz AVVHFRSNVJCAPY-UHFFFAOYSA-N 2 1 277.456 3.738 20 0 CHADMP CCC[C@@H](CC)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192923769 528923217 /nfs/dbraw/zinc/92/32/17/528923217.db2.gz SVNUNKFBFAYERS-QZTJIDSGSA-N 2 1 274.452 3.677 20 0 CHADMP CCCC[C@H]([NH2+]CCCn1cc[nH+]c1C)C1CCC1 ZINC000347926922 528992191 /nfs/dbraw/zinc/99/21/91/528992191.db2.gz ZGUQGFMGDWUVJB-INIZCTEOSA-N 2 1 263.429 3.530 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000222021401 1125470461 /nfs/dbraw/zinc/47/04/61/1125470461.db2.gz NDIYUFCWIJPDOG-FDPIWHGQSA-N 2 1 284.447 3.841 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000222021401 1125470465 /nfs/dbraw/zinc/47/04/65/1125470465.db2.gz NDIYUFCWIJPDOG-FDPIWHGQSA-N 2 1 284.447 3.841 20 0 CHADMP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000312498814 1118114721 /nfs/dbraw/zinc/11/47/21/1118114721.db2.gz LENXLBQIYKEXMG-NWDGAFQWSA-N 2 1 297.512 3.597 20 0 CHADMP C[N@@H+](CCCC[NH2+]C1CCC(C2CCC2)CC1)C1CC1 ZINC000657486826 1119126374 /nfs/dbraw/zinc/12/63/74/1119126374.db2.gz CEVFDZPPSXEXAB-UHFFFAOYSA-N 2 1 278.484 3.809 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000583288788 1119335279 /nfs/dbraw/zinc/33/52/79/1119335279.db2.gz RMNRTEYGYZILJO-CVEARBPZSA-N 2 1 266.473 3.667 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C(C)C)o1 ZINC000359869548 1125498444 /nfs/dbraw/zinc/49/84/44/1125498444.db2.gz INNAYANMQOCDDP-HNNXBMFYSA-N 2 1 287.407 3.573 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C(C)C)o1 ZINC000359869548 1125498448 /nfs/dbraw/zinc/49/84/48/1125498448.db2.gz INNAYANMQOCDDP-HNNXBMFYSA-N 2 1 287.407 3.573 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)C[C@H]1C ZINC000251760318 1125501688 /nfs/dbraw/zinc/50/16/88/1125501688.db2.gz KEOASSPXFQHIME-NCOADZHNSA-N 2 1 266.473 3.665 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@@H](c2cccs2)C2CC2)CC1 ZINC000049956858 1122895168 /nfs/dbraw/zinc/89/51/68/1122895168.db2.gz SPAJDOORYDFTOI-MRXNPFEDSA-N 2 1 278.465 3.663 20 0 CHADMP CSc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205922931 1123122623 /nfs/dbraw/zinc/12/26/23/1123122623.db2.gz DSJSRVLZNAMRSC-NWDGAFQWSA-N 2 1 298.883 3.621 20 0 CHADMP CSc1ccc(Cl)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205922931 1123122627 /nfs/dbraw/zinc/12/26/27/1123122627.db2.gz DSJSRVLZNAMRSC-NWDGAFQWSA-N 2 1 298.883 3.621 20 0 CHADMP CCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccsc1 ZINC000443086647 1123355224 /nfs/dbraw/zinc/35/52/24/1123355224.db2.gz NJUWAAKHODYPFQ-SNPRPXQTSA-N 2 1 266.454 3.662 20 0 CHADMP CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccsc1 ZINC000443086647 1123355228 /nfs/dbraw/zinc/35/52/28/1123355228.db2.gz NJUWAAKHODYPFQ-SNPRPXQTSA-N 2 1 266.454 3.662 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1CCCC1 ZINC000474470097 1123535941 /nfs/dbraw/zinc/53/59/41/1123535941.db2.gz DPISJLAODJAHQC-CVEARBPZSA-N 2 1 266.473 3.809 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)C1CCCC1 ZINC000449131481 1124652581 /nfs/dbraw/zinc/65/25/81/1124652581.db2.gz MWQNCTFPHVVARM-RDJZCZTQSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530178554 1125131155 /nfs/dbraw/zinc/13/11/55/1125131155.db2.gz MFVBALJWYBYIPA-DGCLKSJQSA-N 2 1 298.883 3.597 20 0 CHADMP CC[C@H]([NH2+]C[C@H](CC(C)C)[NH+](CC)CC)C1CCOCC1 ZINC000532458876 1125391573 /nfs/dbraw/zinc/39/15/73/1125391573.db2.gz UXWJPGQMARTBEF-ROUUACIJSA-N 2 1 298.515 3.538 20 0 CHADMP CC[N@@H+](Cc1c(C)cccc1Cl)C1CCN(C)CC1 ZINC001138720018 1131541042 /nfs/dbraw/zinc/54/10/42/1131541042.db2.gz MLBMITQBDHQLNB-UHFFFAOYSA-N 2 1 280.843 3.565 20 0 CHADMP C[C@@H]1CC[C@H]([N@H+]2CCCC[C@H](CCC[NH3+])C2)C[C@@H]1C ZINC001172366847 1132191992 /nfs/dbraw/zinc/19/19/92/1132191992.db2.gz HTJGEPXCZBAGNH-TWMKSMIVSA-N 2 1 266.473 3.652 20 0 CHADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000311649056 1135130746 /nfs/dbraw/zinc/13/07/46/1135130746.db2.gz DOAJOQJUNQGHQK-QBPKDAKJSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000311649056 1135130749 /nfs/dbraw/zinc/13/07/49/1135130749.db2.gz DOAJOQJUNQGHQK-QBPKDAKJSA-N 2 1 266.473 3.664 20 0 CHADMP C[C@@H]1CCC[C@@](C[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)([NH+](C)C)C1 ZINC000251919970 1125521422 /nfs/dbraw/zinc/52/14/22/1125521422.db2.gz UOWAHKXLPWBCNB-DFBDCSAJSA-N 2 1 280.500 3.911 20 0 CHADMP CC[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245733368 1125592072 /nfs/dbraw/zinc/59/20/72/1125592072.db2.gz QLIBEUKWDJTYOZ-NRSFXHEJSA-N 2 1 272.436 3.570 20 0 CHADMP Cc1ccncc1[C@H](C)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925291646 1125611565 /nfs/dbraw/zinc/61/15/65/1125611565.db2.gz CVOMJOCYSBOINS-INIZCTEOSA-N 2 1 289.467 3.551 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000886121194 1125652531 /nfs/dbraw/zinc/65/25/31/1125652531.db2.gz XMCJMNAHPATHPS-IAGOWNOFSA-N 2 1 296.499 3.578 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000886121194 1125652537 /nfs/dbraw/zinc/65/25/37/1125652537.db2.gz XMCJMNAHPATHPS-IAGOWNOFSA-N 2 1 296.499 3.578 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000886121193 1125652701 /nfs/dbraw/zinc/65/27/01/1125652701.db2.gz XMCJMNAHPATHPS-DLBZAZTESA-N 2 1 296.499 3.578 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000886121193 1125652706 /nfs/dbraw/zinc/65/27/06/1125652706.db2.gz XMCJMNAHPATHPS-DLBZAZTESA-N 2 1 296.499 3.578 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1ccco1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248409029 1125667109 /nfs/dbraw/zinc/66/71/09/1125667109.db2.gz WDXZVXYCOFCCIO-ILXRZTDVSA-N 2 1 276.424 3.583 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1ccco1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248409029 1125667111 /nfs/dbraw/zinc/66/71/11/1125667111.db2.gz WDXZVXYCOFCCIO-ILXRZTDVSA-N 2 1 276.424 3.583 20 0 CHADMP Cc1oc2ccccc2c1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000248751356 1125674517 /nfs/dbraw/zinc/67/45/17/1125674517.db2.gz UCYVCZOXJUJGEY-IIYDPXPESA-N 2 1 286.419 3.560 20 0 CHADMP CC1([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCC1 ZINC000886586127 1125694233 /nfs/dbraw/zinc/69/42/33/1125694233.db2.gz LLPNCKMKAYJTHS-BZSNNMDCSA-N 2 1 284.447 3.572 20 0 CHADMP Cc1[nH]c(C2CC[NH+](CCCC(C)C)CC2)[nH+]c1C ZINC000886661601 1125704993 /nfs/dbraw/zinc/70/49/93/1125704993.db2.gz YPLBTBLJKGMPTI-UHFFFAOYSA-N 2 1 263.429 3.642 20 0 CHADMP CC(C)C[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000037515628 1125724722 /nfs/dbraw/zinc/72/47/22/1125724722.db2.gz VIEYATQGQXYDCS-QGZVFWFLSA-N 2 1 288.479 3.718 20 0 CHADMP Cc1ccccc1C1CC([N@@H+](CC2CC[NH2+]CC2)C2CC2)C1 ZINC000261650239 1125735057 /nfs/dbraw/zinc/73/50/57/1125735057.db2.gz GGDMVDGASODYSO-UHFFFAOYSA-N 2 1 298.474 3.705 20 0 CHADMP C[C@@H](C[N@H+]1CCC[C@@H](CC[NH3+])C1)c1cccc(Cl)c1 ZINC000261912831 1125746453 /nfs/dbraw/zinc/74/64/53/1125746453.db2.gz JMFAQHQDWKAWBM-KBPBESRZSA-N 2 1 280.843 3.504 20 0 CHADMP c1ccc([C@@H]2C[N@H+](CC3CC[NH2+]CC3)[C@H]3CCCC[C@H]23)cc1 ZINC000261918463 1125748209 /nfs/dbraw/zinc/74/82/09/1125748209.db2.gz KDWUDZOZTYNOHU-AABGKKOBSA-N 2 1 298.474 3.644 20 0 CHADMP C/C(=C\c1ccccc1)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093644477 1125770564 /nfs/dbraw/zinc/77/05/64/1125770564.db2.gz ZEEMMCULJYRGNV-DEYMUQAISA-N 2 1 272.436 3.504 20 0 CHADMP C/C(=C\c1ccccc1)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093644477 1125770572 /nfs/dbraw/zinc/77/05/72/1125770572.db2.gz ZEEMMCULJYRGNV-DEYMUQAISA-N 2 1 272.436 3.504 20 0 CHADMP C/C(=C\c1ccccc1)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644477 1125770580 /nfs/dbraw/zinc/77/05/80/1125770580.db2.gz ZEEMMCULJYRGNV-DEYMUQAISA-N 2 1 272.436 3.504 20 0 CHADMP C/C(=C\c1ccccc1)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644477 1125770590 /nfs/dbraw/zinc/77/05/90/1125770590.db2.gz ZEEMMCULJYRGNV-DEYMUQAISA-N 2 1 272.436 3.504 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C3CCC3)cc2)CCN1C ZINC000508734828 1125785976 /nfs/dbraw/zinc/78/59/76/1125785976.db2.gz QHURWYXRIWTTMU-BEFAXECRSA-N 2 1 286.463 3.869 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C3CCC3)cc2)CC[N@@H+]1C ZINC000508734828 1125785979 /nfs/dbraw/zinc/78/59/79/1125785979.db2.gz QHURWYXRIWTTMU-BEFAXECRSA-N 2 1 286.463 3.869 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C3CCC3)cc2)CC[N@H+]1C ZINC000508734828 1125785984 /nfs/dbraw/zinc/78/59/84/1125785984.db2.gz QHURWYXRIWTTMU-BEFAXECRSA-N 2 1 286.463 3.869 20 0 CHADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C3CCC3)cc2)CC[NH+]1C ZINC000508734828 1125785995 /nfs/dbraw/zinc/78/59/95/1125785995.db2.gz QHURWYXRIWTTMU-BEFAXECRSA-N 2 1 286.463 3.869 20 0 CHADMP C(=C/c1ccccc1)\C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134938159 1126705346 /nfs/dbraw/zinc/70/53/46/1126705346.db2.gz YODUIYPCFLEOJQ-ORERJUFSSA-N 2 1 296.458 3.649 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)C[C@H](C)CC(C)C ZINC000338014406 1126710909 /nfs/dbraw/zinc/71/09/09/1126710909.db2.gz GUMYDTZDWOYIQR-HUUCEWRRSA-N 2 1 265.445 3.632 20 0 CHADMP CC(C)=CCC[C@H](C)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000482242605 1126747394 /nfs/dbraw/zinc/74/73/94/1126747394.db2.gz FZOVUEJBHNHQSQ-ULQDDVLXSA-N 2 1 266.473 3.831 20 0 CHADMP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c1C ZINC000482330892 1126751563 /nfs/dbraw/zinc/75/15/63/1126751563.db2.gz JCTTXEGTVKHEGL-ACJLOTCBSA-N 2 1 299.462 3.523 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC000483238378 1126774038 /nfs/dbraw/zinc/77/40/38/1126774038.db2.gz CPGPZXWZYYZTCL-KRWDZBQOSA-N 2 1 266.473 3.621 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC000483238378 1126774041 /nfs/dbraw/zinc/77/40/41/1126774041.db2.gz CPGPZXWZYYZTCL-KRWDZBQOSA-N 2 1 266.473 3.621 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC000483238378 1126774042 /nfs/dbraw/zinc/77/40/42/1126774042.db2.gz CPGPZXWZYYZTCL-KRWDZBQOSA-N 2 1 266.473 3.621 20 0 CHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc[nH]c2)C1 ZINC000175697980 1126784808 /nfs/dbraw/zinc/78/48/08/1126784808.db2.gz URHRJODERFIDEG-MRXNPFEDSA-N 2 1 297.446 3.536 20 0 CHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cc[nH]c3)cc2)C1 ZINC000175697782 1126784993 /nfs/dbraw/zinc/78/49/93/1126784993.db2.gz ZWXZFAKEKRIKED-INIZCTEOSA-N 2 1 297.446 3.536 20 0 CHADMP CC[C@@H]1C[N@H+]([C@H](C)c2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000251784109 1126795388 /nfs/dbraw/zinc/79/53/88/1126795388.db2.gz NFNKSGIUELPXRH-SPYBWZPUSA-N 2 1 282.431 3.960 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccccc1Cl ZINC000177295571 1126799791 /nfs/dbraw/zinc/79/97/91/1126799791.db2.gz AUPJUFILTWKQDD-OLZOCXBDSA-N 2 1 291.826 3.832 20 0 CHADMP COc1cccc([C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)c1 ZINC000483867479 1126804217 /nfs/dbraw/zinc/80/42/17/1126804217.db2.gz FSFOSKCJBSTTDT-MRXNPFEDSA-N 2 1 292.467 3.855 20 0 CHADMP Cc1ccsc1[C@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000178700789 1126818081 /nfs/dbraw/zinc/81/80/81/1126818081.db2.gz NCPDXICOACNLPF-AAEUAGOBSA-N 2 1 277.437 3.548 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000178707283 1126819154 /nfs/dbraw/zinc/81/91/54/1126819154.db2.gz WFRNEDDYAUYLOP-ZIAGYGMSSA-N 2 1 297.402 3.925 20 0 CHADMP [NH3+][C@H]1C[C@@H](C[N@H+]2Cc3ccccc3C[C@@H]2c2ccccc2)C1 ZINC000904322606 1126846026 /nfs/dbraw/zinc/84/60/26/1126846026.db2.gz FHCDKJMDUNNRSY-UIAACRFSSA-N 2 1 292.426 3.523 20 0 CHADMP Fc1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)ccc1C(F)F ZINC000904359103 1126847795 /nfs/dbraw/zinc/84/77/95/1126847795.db2.gz ZLKMTKDPUVGMKA-GFCCVEGCSA-N 2 1 298.352 3.528 20 0 CHADMP Cc1cc[nH+]c(N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000182636171 1126874540 /nfs/dbraw/zinc/87/45/40/1126874540.db2.gz WCTAHXIVSXVSGI-HNNXBMFYSA-N 2 1 299.418 3.504 20 0 CHADMP c1ccc(CC2CC[NH+]([C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000183366003 1126885521 /nfs/dbraw/zinc/88/55/21/1126885521.db2.gz ZSYGXNJONAHAOH-WOJBJXKFSA-N 2 1 298.474 3.568 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000187758181 1126913719 /nfs/dbraw/zinc/91/37/19/1126913719.db2.gz UZEIDMTYZZHKME-QRFRQXIXSA-N 2 1 298.474 3.571 20 0 CHADMP Fc1ccc2c(c1)[C@@H]([N@H+]1CCC[C@H](c3ncc[nH]3)C1)CCC2 ZINC000270007956 1127049314 /nfs/dbraw/zinc/04/93/14/1127049314.db2.gz KNTSFMPCSFEQGO-YOEHRIQHSA-N 2 1 299.393 3.806 20 0 CHADMP C[C@H]1C[C@H]([N@@H+](C)CC2CCC2)CCN1Cc1ccccc1 ZINC000488006714 1127052262 /nfs/dbraw/zinc/05/22/62/1127052262.db2.gz GRMOARPSEXNRDI-QFBILLFUSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)CC2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000488006714 1127052264 /nfs/dbraw/zinc/05/22/64/1127052264.db2.gz GRMOARPSEXNRDI-QFBILLFUSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)CC2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000488006714 1127052266 /nfs/dbraw/zinc/05/22/66/1127052266.db2.gz GRMOARPSEXNRDI-QFBILLFUSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@H]1C[C@H]([N@H+](C)CC2CCC2)CC[NH+]1Cc1ccccc1 ZINC000488006714 1127052268 /nfs/dbraw/zinc/05/22/68/1127052268.db2.gz GRMOARPSEXNRDI-QFBILLFUSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@H]1C[C@H]([N@@H+](C)CC2CCC2)CC[NH+]1Cc1ccccc1 ZINC000488006714 1127052271 /nfs/dbraw/zinc/05/22/71/1127052271.db2.gz GRMOARPSEXNRDI-QFBILLFUSA-N 2 1 286.463 3.771 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCC2)C2CCCCC2)CC1 ZINC001236565865 1130976278 /nfs/dbraw/zinc/97/62/78/1130976278.db2.gz QCRGHOFMJRKRCA-JCNLHEQBSA-N 2 1 264.457 3.691 20 0 CHADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1cccc(Cl)c1F ZINC000274098800 1127107766 /nfs/dbraw/zinc/10/77/66/1127107766.db2.gz WAHNFDISEXGAQD-AWEZNQCLSA-N 2 1 295.789 3.725 20 0 CHADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1cccc(Cl)c1F ZINC000274098802 1127108252 /nfs/dbraw/zinc/10/82/52/1127108252.db2.gz WAHNFDISEXGAQD-CQSZACIVSA-N 2 1 295.789 3.725 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000339185994 1127118340 /nfs/dbraw/zinc/11/83/40/1127118340.db2.gz PURGMJKQZKLELD-UHFFFAOYSA-N 2 1 283.419 3.639 20 0 CHADMP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000163876677 1127147467 /nfs/dbraw/zinc/14/74/67/1127147467.db2.gz WQKQTQPZSNKUSB-CQSZACIVSA-N 2 1 297.874 3.898 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(-c2cccnc2)c1 ZINC000349405484 1127150691 /nfs/dbraw/zinc/15/06/91/1127150691.db2.gz JJUKKLHAZYHDBS-UHFFFAOYSA-N 2 1 297.446 3.522 20 0 CHADMP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000157470471 1127174385 /nfs/dbraw/zinc/17/43/85/1127174385.db2.gz WEYJIGBZYALIJO-YYIAUSFCSA-N 2 1 264.457 3.562 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000572506969 1127202073 /nfs/dbraw/zinc/20/20/73/1127202073.db2.gz XCUITNPYZQOZHH-ICUGJSFKSA-N 2 1 278.484 3.664 20 0 CHADMP C(C1CC1)[NH+]1CCC([N@H+]2CCC[C@@H]2C2CCCCC2)CC1 ZINC001168387676 1127213933 /nfs/dbraw/zinc/21/39/33/1127213933.db2.gz PHNHZUWAOSVJFW-LJQANCHMSA-N 2 1 290.495 3.906 20 0 CHADMP CCC[NH+]1CCC([NH2+]Cc2ccc(CSC)cc2)CC1 ZINC000285603206 1127239295 /nfs/dbraw/zinc/23/92/95/1127239295.db2.gz IQZRPEOSGBOWDN-UHFFFAOYSA-N 2 1 292.492 3.514 20 0 CHADMP Cc1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(C)s1 ZINC000590786861 1127273029 /nfs/dbraw/zinc/27/30/29/1127273029.db2.gz CBVKTZKNZVDFCO-UHFFFAOYSA-N 2 1 294.508 3.917 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000590818905 1127274900 /nfs/dbraw/zinc/27/49/00/1127274900.db2.gz HGVMYEMZVZDBJX-YFHOEESVSA-N 2 1 286.463 3.752 20 0 CHADMP CC[NH+](CCCCC[N@H+](CC)C1CCC1)C1CCC1 ZINC000354422273 1127307939 /nfs/dbraw/zinc/30/79/39/1127307939.db2.gz RKOLLRYZJPZSFD-UHFFFAOYSA-N 2 1 266.473 3.906 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCC(C)(C)C1 ZINC000573485787 1127316599 /nfs/dbraw/zinc/31/65/99/1127316599.db2.gz XHAMMTZDHWHSIG-CVEARBPZSA-N 2 1 266.473 3.809 20 0 CHADMP Cc1oc2ccccc2c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000355215380 1127325905 /nfs/dbraw/zinc/32/59/05/1127325905.db2.gz ZDTYUMDFQTWFLG-YJBOKZPZSA-N 2 1 298.430 3.657 20 0 CHADMP Cc1oc2ccccc2c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000355215380 1127325909 /nfs/dbraw/zinc/32/59/09/1127325909.db2.gz ZDTYUMDFQTWFLG-YJBOKZPZSA-N 2 1 298.430 3.657 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000355215380 1127325911 /nfs/dbraw/zinc/32/59/11/1127325911.db2.gz ZDTYUMDFQTWFLG-YJBOKZPZSA-N 2 1 298.430 3.657 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]C3CCC4(CC4)CC3)C2)cc1 ZINC000355215727 1127326380 /nfs/dbraw/zinc/32/63/80/1127326380.db2.gz HJRCHTWPVRDPEA-GOSISDBHSA-N 2 1 298.474 3.821 20 0 CHADMP CC1CCC([NH2+]C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000573909836 1127331383 /nfs/dbraw/zinc/33/13/83/1127331383.db2.gz LKAYBBDZZFQGON-BDVYOWHSSA-N 2 1 266.473 3.665 20 0 CHADMP CC[N@H+](Cc1cc(-n2ccnc2)cs1)CC1CCC1 ZINC000355607951 1127353931 /nfs/dbraw/zinc/35/39/31/1127353931.db2.gz ONLLAWQCWJPPFH-UHFFFAOYSA-N 2 1 275.421 3.556 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cc2cccc(F)c2o1 ZINC000355757340 1127362211 /nfs/dbraw/zinc/36/22/11/1127362211.db2.gz LQCFCPFSMQSHPS-GXTWGEPZSA-N 2 1 290.382 3.707 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cc2cccc(F)c2o1 ZINC000355757340 1127362213 /nfs/dbraw/zinc/36/22/13/1127362213.db2.gz LQCFCPFSMQSHPS-GXTWGEPZSA-N 2 1 290.382 3.707 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000358090121 1127401988 /nfs/dbraw/zinc/40/19/88/1127401988.db2.gz VAAWSOJUDRMJQU-HOCLYGCPSA-N 2 1 285.435 3.795 20 0 CHADMP CC[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(F)ccc1F ZINC000358158490 1127405158 /nfs/dbraw/zinc/40/51/58/1127405158.db2.gz QCGMAKUFDSWFKL-KEYYUXOJSA-N 2 1 294.389 3.632 20 0 CHADMP CC(C)[N@@H+](C)CCCN[C@H](C)c1ccc2ccccc2n1 ZINC000359641097 1127470765 /nfs/dbraw/zinc/47/07/65/1127470765.db2.gz MFILAWHOIBGGBS-OAHLLOKOSA-N 2 1 285.435 3.616 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000359641097 1127470766 /nfs/dbraw/zinc/47/07/66/1127470766.db2.gz MFILAWHOIBGGBS-OAHLLOKOSA-N 2 1 285.435 3.616 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000359641097 1127470768 /nfs/dbraw/zinc/47/07/68/1127470768.db2.gz MFILAWHOIBGGBS-OAHLLOKOSA-N 2 1 285.435 3.616 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC001308791464 1127478762 /nfs/dbraw/zinc/47/87/62/1127478762.db2.gz GEAMJJJSJUEBEO-ZJIFWQFVSA-N 2 1 254.462 3.521 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC001308791464 1127478765 /nfs/dbraw/zinc/47/87/65/1127478765.db2.gz GEAMJJJSJUEBEO-ZJIFWQFVSA-N 2 1 254.462 3.521 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC001308797987 1127485444 /nfs/dbraw/zinc/48/54/44/1127485444.db2.gz NUJQLYJWBNYYTP-OAGGEKHMSA-N 2 1 254.462 3.665 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC001308797987 1127485445 /nfs/dbraw/zinc/48/54/45/1127485445.db2.gz NUJQLYJWBNYYTP-OAGGEKHMSA-N 2 1 254.462 3.665 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@H](CC)C1 ZINC001308797989 1127485633 /nfs/dbraw/zinc/48/56/33/1127485633.db2.gz NUJQLYJWBNYYTP-PMPSAXMXSA-N 2 1 254.462 3.665 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@H](CC)C1 ZINC001308797989 1127485634 /nfs/dbraw/zinc/48/56/34/1127485634.db2.gz NUJQLYJWBNYYTP-PMPSAXMXSA-N 2 1 254.462 3.665 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](C)c3ccccc32)C1 ZINC000360235276 1127493604 /nfs/dbraw/zinc/49/36/04/1127493604.db2.gz TXDYPMKRGJCQSE-FRQCXROJSA-N 2 1 286.463 3.947 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccsc1C ZINC000293914668 1127533308 /nfs/dbraw/zinc/53/33/08/1127533308.db2.gz MDULHLIZTRFKFO-UHFFFAOYSA-N 2 1 291.464 3.728 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccsc1C ZINC000293914668 1127533309 /nfs/dbraw/zinc/53/33/09/1127533309.db2.gz MDULHLIZTRFKFO-UHFFFAOYSA-N 2 1 291.464 3.728 20 0 CHADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(F)c2ccccc21 ZINC000294568397 1127583622 /nfs/dbraw/zinc/58/36/22/1127583622.db2.gz BUZCDQHCUYNDRI-AWEZNQCLSA-N 2 1 298.405 3.891 20 0 CHADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000361847680 1127593605 /nfs/dbraw/zinc/59/36/05/1127593605.db2.gz DWBXSMSHJROVLB-YJBOKZPZSA-N 2 1 281.403 3.555 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CCC3(CC3)CC2)c1 ZINC000362917655 1127654319 /nfs/dbraw/zinc/65/43/19/1127654319.db2.gz LAXOBZRCPPEZBJ-UHFFFAOYSA-N 2 1 286.463 3.951 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]C1CCC(c2ccccc2)CC1 ZINC000298700589 1127729433 /nfs/dbraw/zinc/72/94/33/1127729433.db2.gz PLYNARPGCJRUBT-UHFFFAOYSA-N 2 1 297.446 3.898 20 0 CHADMP CCCCC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000605186832 1127731129 /nfs/dbraw/zinc/73/11/29/1127731129.db2.gz ZQQHPVHJCOPWSM-KRWDZBQOSA-N 2 1 266.473 3.621 20 0 CHADMP CCC(C)(C)[NH+](C)CC(C)C[N@H+](C)C(C)(C)CC ZINC000605574503 1127743475 /nfs/dbraw/zinc/74/34/75/1127743475.db2.gz BBTLIXGLCYBPPK-UHFFFAOYSA-N 2 1 256.478 3.863 20 0 CHADMP C[C@H](c1ccccc1F)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366865214 1127748414 /nfs/dbraw/zinc/74/84/14/1127748414.db2.gz MQZCMOZFNRCBMM-OAHLLOKOSA-N 2 1 290.426 3.695 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000371685197 1127775010 /nfs/dbraw/zinc/77/50/10/1127775010.db2.gz JXJIIADQMJOQSZ-OHDICMOHSA-N 2 1 297.446 3.609 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000371685196 1127775249 /nfs/dbraw/zinc/77/52/49/1127775249.db2.gz JXJIIADQMJOQSZ-LVFSCSRESA-N 2 1 297.446 3.609 20 0 CHADMP C[C@H]([NH2+]C/C=C\c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411520245 1127864016 /nfs/dbraw/zinc/86/40/16/1127864016.db2.gz VCMVFYMPGZATAM-SDJKEXMRSA-N 2 1 298.474 3.942 20 0 CHADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374074119 1127872588 /nfs/dbraw/zinc/87/25/88/1127872588.db2.gz IARSHYGCRJJCTG-HNNXBMFYSA-N 2 1 290.426 3.695 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000412013199 1127887772 /nfs/dbraw/zinc/88/77/72/1127887772.db2.gz NQGICWDGPCPITH-OALUTQOASA-N 2 1 297.446 3.850 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000412013199 1127887776 /nfs/dbraw/zinc/88/77/76/1127887776.db2.gz NQGICWDGPCPITH-OALUTQOASA-N 2 1 297.446 3.850 20 0 CHADMP c1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000374481485 1127900398 /nfs/dbraw/zinc/90/03/98/1127900398.db2.gz NBGCQYJOAMOBMY-HCXYKTFWSA-N 2 1 284.447 3.539 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000535468481 1127916671 /nfs/dbraw/zinc/91/66/71/1127916671.db2.gz IXVXBINEZWCZDO-ZWKOTPCHSA-N 2 1 290.426 3.741 20 0 CHADMP CC(C)(C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1)[NH+]1CCCCC1 ZINC000539406195 1127921702 /nfs/dbraw/zinc/92/17/02/1127921702.db2.gz ZUYCAENRFXVKEL-ZWKOTPCHSA-N 2 1 286.463 3.644 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccnc3ccccc23)C[C@@H]1C ZINC000539816841 1127941870 /nfs/dbraw/zinc/94/18/70/1127941870.db2.gz HAJOTDHWUJYASV-DOTOQJQBSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccnc3ccccc23)C[C@@H]1C ZINC000539816841 1127941871 /nfs/dbraw/zinc/94/18/71/1127941871.db2.gz HAJOTDHWUJYASV-DOTOQJQBSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccnc3ccccc23)C[C@@H]1C ZINC000539816841 1127941876 /nfs/dbraw/zinc/94/18/76/1127941876.db2.gz HAJOTDHWUJYASV-DOTOQJQBSA-N 2 1 297.446 3.539 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2CC)C1 ZINC000539857712 1127947876 /nfs/dbraw/zinc/94/78/76/1127947876.db2.gz BNBSQLUDRLYHKG-VVLHAWIVSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C3CCCC3)cc2)CC[N@H+]1C ZINC000462780434 1127954859 /nfs/dbraw/zinc/95/48/59/1127954859.db2.gz WJYPSCOHQAUVGD-BEFAXECRSA-N 2 1 286.463 3.917 20 0 CHADMP C[C@H]1CCC[C@H](CCN2CCC3(CCC[N@H+]3C)CC2)C1 ZINC000544131896 1127960215 /nfs/dbraw/zinc/96/02/15/1127960215.db2.gz GUECKNWUPSPNPD-DLBZAZTESA-N 2 1 278.484 3.763 20 0 CHADMP C[C@H]1CCC[C@H](CC[NH+]2CCC3(CCC[N@@H+]3C)CC2)C1 ZINC000544131896 1127960217 /nfs/dbraw/zinc/96/02/17/1127960217.db2.gz GUECKNWUPSPNPD-DLBZAZTESA-N 2 1 278.484 3.763 20 0 CHADMP C[C@H]1CCC[C@H](CC[NH+]2CCC3(CCC[N@H+]3C)CC2)C1 ZINC000544131896 1127960219 /nfs/dbraw/zinc/96/02/19/1127960219.db2.gz GUECKNWUPSPNPD-DLBZAZTESA-N 2 1 278.484 3.763 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C2CCCC2)[C@@H](C)C1 ZINC000540143952 1127962863 /nfs/dbraw/zinc/96/28/63/1127962863.db2.gz KCGIASRHIILFEU-HOCLYGCPSA-N 2 1 266.473 3.523 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000540150862 1127963944 /nfs/dbraw/zinc/96/39/44/1127963944.db2.gz HGULGUCAQKFADT-QFBILLFUSA-N 2 1 286.463 3.632 20 0 CHADMP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000300326938 1127998773 /nfs/dbraw/zinc/99/87/73/1127998773.db2.gz ITPKZSZPYZOKTL-FJIDUMEYSA-N 2 1 278.484 3.808 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cc2C)C[C@@H]1C ZINC000468390872 1128006022 /nfs/dbraw/zinc/00/60/22/1128006022.db2.gz BUIQXNYWWONKFX-WMLDXEAASA-N 2 1 294.870 3.953 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2C)C[C@@H]1C ZINC000468390872 1128006025 /nfs/dbraw/zinc/00/60/25/1128006025.db2.gz BUIQXNYWWONKFX-WMLDXEAASA-N 2 1 294.870 3.953 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2C)C[C@@H]1C ZINC000468390872 1128006029 /nfs/dbraw/zinc/00/60/29/1128006029.db2.gz BUIQXNYWWONKFX-WMLDXEAASA-N 2 1 294.870 3.953 20 0 CHADMP CC(C)(C[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1)CC1CC1 ZINC001256907321 1128014841 /nfs/dbraw/zinc/01/48/41/1128014841.db2.gz BHVOTXQPMVUFJB-INIZCTEOSA-N 2 1 278.484 3.809 20 0 CHADMP CC(C)(C[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1)CC1CC1 ZINC001256907321 1128014844 /nfs/dbraw/zinc/01/48/44/1128014844.db2.gz BHVOTXQPMVUFJB-INIZCTEOSA-N 2 1 278.484 3.809 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CC(C)C)CCC2)[C@@H](C)C1 ZINC000468873394 1128026008 /nfs/dbraw/zinc/02/60/08/1128026008.db2.gz GFEPHURXOHFNDW-JKSUJKDBSA-N 2 1 266.473 3.523 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@H](c2ccc(C)o2)C2CCC2)CC1 ZINC000541748330 1128035899 /nfs/dbraw/zinc/03/58/99/1128035899.db2.gz KHFDYAGDABHZCL-SFHVURJKSA-N 2 1 290.451 3.893 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCC(C)(C)C)[C@H](C)C1 ZINC000469057278 1128034333 /nfs/dbraw/zinc/03/43/33/1128034333.db2.gz UAFPIDORCIKEAV-HUUCEWRRSA-N 2 1 254.462 3.523 20 0 CHADMP CCC(CC)(CC)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000542018889 1128047305 /nfs/dbraw/zinc/04/73/05/1128047305.db2.gz GCGFHGMHGZTTIG-HZPDHXFCSA-N 2 1 266.473 3.619 20 0 CHADMP CCC(CC)(CC)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000542018889 1128047310 /nfs/dbraw/zinc/04/73/10/1128047310.db2.gz GCGFHGMHGZTTIG-HZPDHXFCSA-N 2 1 266.473 3.619 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(CC)(CC)CC)C1 ZINC000542020157 1128048463 /nfs/dbraw/zinc/04/84/63/1128048463.db2.gz QHWFVGYBMJBKQZ-MRXNPFEDSA-N 2 1 268.489 3.867 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC(CC)(CC)CC)C1 ZINC000542020157 1128048467 /nfs/dbraw/zinc/04/84/67/1128048467.db2.gz QHWFVGYBMJBKQZ-MRXNPFEDSA-N 2 1 268.489 3.867 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(CC)(CC)CC)C1 ZINC000542020157 1128048470 /nfs/dbraw/zinc/04/84/70/1128048470.db2.gz QHWFVGYBMJBKQZ-MRXNPFEDSA-N 2 1 268.489 3.867 20 0 CHADMP CCc1cccc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC000469732138 1128050990 /nfs/dbraw/zinc/05/09/90/1128050990.db2.gz YXZBZIQSXMPMEM-MAUKXSAKSA-N 2 1 274.452 3.554 20 0 CHADMP CCc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)c1 ZINC000469732138 1128050994 /nfs/dbraw/zinc/05/09/94/1128050994.db2.gz YXZBZIQSXMPMEM-MAUKXSAKSA-N 2 1 274.452 3.554 20 0 CHADMP CCc1cccc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)c1 ZINC000469732138 1128050997 /nfs/dbraw/zinc/05/09/97/1128050997.db2.gz YXZBZIQSXMPMEM-MAUKXSAKSA-N 2 1 274.452 3.554 20 0 CHADMP CCc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000469730909 1128051790 /nfs/dbraw/zinc/05/17/90/1128051790.db2.gz GZHMBKKLLZJADJ-UYAOXDASSA-N 2 1 298.474 3.698 20 0 CHADMP CCc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000469730909 1128051794 /nfs/dbraw/zinc/05/17/94/1128051794.db2.gz GZHMBKKLLZJADJ-UYAOXDASSA-N 2 1 298.474 3.698 20 0 CHADMP CCc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000469730909 1128051799 /nfs/dbraw/zinc/05/17/99/1128051799.db2.gz GZHMBKKLLZJADJ-UYAOXDASSA-N 2 1 298.474 3.698 20 0 CHADMP C[C@H](CCC1CC1)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000469774048 1128052454 /nfs/dbraw/zinc/05/24/54/1128052454.db2.gz CSYQDMXZJRKMGJ-IXDOHACOSA-N 2 1 280.500 3.913 20 0 CHADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccccc2)cc1F ZINC000469870089 1128056724 /nfs/dbraw/zinc/05/67/24/1128056724.db2.gz HVBDZSAAVXEVFH-HUUCEWRRSA-N 2 1 298.405 3.662 20 0 CHADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(-c2ccccc2)c1 ZINC000469866087 1128056906 /nfs/dbraw/zinc/05/69/06/1128056906.db2.gz XIDRNKYWIIJLCE-RDJZCZTQSA-N 2 1 280.415 3.523 20 0 CHADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(-c2ccccc2)c1 ZINC000469866085 1128057206 /nfs/dbraw/zinc/05/72/06/1128057206.db2.gz XIDRNKYWIIJLCE-NVXWUHKLSA-N 2 1 280.415 3.523 20 0 CHADMP CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000469996162 1128061259 /nfs/dbraw/zinc/06/12/59/1128061259.db2.gz JRXVJEORPORFEY-ZDUSSCGKSA-N 2 1 292.389 3.525 20 0 CHADMP CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000469996162 1128061262 /nfs/dbraw/zinc/06/12/62/1128061262.db2.gz JRXVJEORPORFEY-ZDUSSCGKSA-N 2 1 292.389 3.525 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3[nH]c(C)c(C)c3c2)[C@H](C)C1 ZINC000470171709 1128064168 /nfs/dbraw/zinc/06/41/68/1128064168.db2.gz NJBPFEGSCYRDHG-ACJLOTCBSA-N 2 1 299.462 3.605 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000470196774 1128066416 /nfs/dbraw/zinc/06/64/16/1128066416.db2.gz WKCTXOCENOZAJR-AWEZNQCLSA-N 2 1 282.859 3.763 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2cccc(C(F)F)c2)C1 ZINC000470788535 1128077205 /nfs/dbraw/zinc/07/72/05/1128077205.db2.gz GVODDQLADMKLKV-OAHLLOKOSA-N 2 1 296.405 3.788 20 0 CHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+]([C@H]2CCCc3ccccc32)C1 ZINC000470976118 1128083990 /nfs/dbraw/zinc/08/39/90/1128083990.db2.gz KGMIQHSVJMXIDI-PXNSSMCTSA-N 2 1 298.474 3.728 20 0 CHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000470976118 1128083993 /nfs/dbraw/zinc/08/39/93/1128083993.db2.gz KGMIQHSVJMXIDI-PXNSSMCTSA-N 2 1 298.474 3.728 20 0 CHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000470976118 1128083996 /nfs/dbraw/zinc/08/39/96/1128083996.db2.gz KGMIQHSVJMXIDI-PXNSSMCTSA-N 2 1 298.474 3.728 20 0 CHADMP CCCC[C@H](CC)CC[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000557097221 1128091554 /nfs/dbraw/zinc/09/15/54/1128091554.db2.gz JERUDVZUEWCMNY-IRXDYDNUSA-N 2 1 268.489 3.913 20 0 CHADMP CCC[C@H](CC)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257253471 1128097588 /nfs/dbraw/zinc/09/75/88/1128097588.db2.gz PIINNRQVQGGPMZ-JYJNAYRXSA-N 2 1 252.446 3.547 20 0 CHADMP CCCCC[N@@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000174392160 1128101224 /nfs/dbraw/zinc/10/12/24/1128101224.db2.gz KLAOITLKEZJXFW-UHFFFAOYSA-N 2 1 289.467 3.810 20 0 CHADMP COc1cc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc2ccccc21 ZINC000924574359 1128105604 /nfs/dbraw/zinc/10/56/04/1128105604.db2.gz CXJWYQQXOQRHTD-CQSZACIVSA-N 2 1 298.430 3.593 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2csc3ccccc23)C1 ZINC000924707955 1128111066 /nfs/dbraw/zinc/11/10/66/1128111066.db2.gz WJJYADZWNDWKRL-KGLIPLIRSA-N 2 1 288.460 3.894 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCC[C@H]1C(C)(C)C ZINC000925132261 1128123026 /nfs/dbraw/zinc/12/30/26/1128123026.db2.gz HZQPDCIJTBLUQO-CVEARBPZSA-N 2 1 277.456 3.776 20 0 CHADMP C[C@@H]([NH2+]C1CC2(C1)CCCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000926119911 1128156276 /nfs/dbraw/zinc/15/62/76/1128156276.db2.gz SHPSEFMUZOCBNK-HZPDHXFCSA-N 2 1 290.495 3.952 20 0 CHADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1csc(C(F)(F)F)c1 ZINC000926476259 1128174247 /nfs/dbraw/zinc/17/42/47/1128174247.db2.gz ZFDRLWQBJMIAMT-VHSXEESVSA-N 2 1 294.386 3.615 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1C[C@@H](C)[C@H]1C ZINC000494884346 1128208809 /nfs/dbraw/zinc/20/88/09/1128208809.db2.gz XRYGYNHNJKGSCO-RKVPGOIHSA-N 2 1 274.452 3.661 20 0 CHADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cc(-c3ccsc3)cs2)CC1 ZINC001205116977 1128229743 /nfs/dbraw/zinc/22/97/43/1128229743.db2.gz KFGZKBOLCXTLIA-CQSZACIVSA-N 2 1 292.473 3.790 20 0 CHADMP CCC[C@@H](C)[NH2+]C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001257315428 1128232532 /nfs/dbraw/zinc/23/25/32/1128232532.db2.gz XSEBUJDRONHVEA-MRXNPFEDSA-N 2 1 274.452 3.819 20 0 CHADMP CCCCCC[C@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001257367374 1128277361 /nfs/dbraw/zinc/27/73/61/1128277361.db2.gz BKHJVQVXKHSHLT-INIZCTEOSA-N 2 1 266.473 3.763 20 0 CHADMP CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1[nH]c(C)nc1C ZINC000929651181 1128280536 /nfs/dbraw/zinc/28/05/36/1128280536.db2.gz TXKPEUGVFWNDCV-QGZVFWFLSA-N 2 1 269.392 3.536 20 0 CHADMP CCCC[C@@H](CC)[N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257413617 1128335263 /nfs/dbraw/zinc/33/52/63/1128335263.db2.gz FGHPLTDFDCWZRT-BZUAXINKSA-N 2 1 254.462 3.936 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3)cc2)CC[N@H+]1C ZINC000316592449 1128335306 /nfs/dbraw/zinc/33/53/06/1128335306.db2.gz FXYOPJIZRFFYQL-OXQOHEQNSA-N 2 1 294.442 3.926 20 0 CHADMP C[N@@H+](CCC[NH2+]C1CCCCC1)CCc1ccc(F)cc1 ZINC001235838684 1128365318 /nfs/dbraw/zinc/36/53/18/1128365318.db2.gz BCOCSZYEZADQAD-UHFFFAOYSA-N 2 1 292.442 3.612 20 0 CHADMP C[N@H+]1CCC[C@@H]1CCN1CC(C)(C)[C@H]1c1cccs1 ZINC000561961426 1128366274 /nfs/dbraw/zinc/36/62/74/1128366274.db2.gz JRQMAHVLRGYSTL-UKRRQHHQSA-N 2 1 278.465 3.615 20 0 CHADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC(C)(C)[C@H]1c1cccs1 ZINC000561961426 1128366278 /nfs/dbraw/zinc/36/62/78/1128366278.db2.gz JRQMAHVLRGYSTL-UKRRQHHQSA-N 2 1 278.465 3.615 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC(C)(C)[C@H]1c1cccs1 ZINC000561961426 1128366282 /nfs/dbraw/zinc/36/62/82/1128366282.db2.gz JRQMAHVLRGYSTL-UKRRQHHQSA-N 2 1 278.465 3.615 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000561961426 1128366287 /nfs/dbraw/zinc/36/62/87/1128366287.db2.gz JRQMAHVLRGYSTL-UKRRQHHQSA-N 2 1 278.465 3.615 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000561961426 1128366290 /nfs/dbraw/zinc/36/62/90/1128366290.db2.gz JRQMAHVLRGYSTL-UKRRQHHQSA-N 2 1 278.465 3.615 20 0 CHADMP CC1(C)CC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000562058761 1128375181 /nfs/dbraw/zinc/37/51/81/1128375181.db2.gz RQMIWHUHJCIHMG-FCGDIQPGSA-N 2 1 298.474 3.960 20 0 CHADMP CC(C)[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398142805 1128393564 /nfs/dbraw/zinc/39/35/64/1128393564.db2.gz WTDDRBWIQTWICP-LMMKCTJWSA-N 2 1 288.479 3.779 20 0 CHADMP CCC[C@@H](C)CC[C@@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC001257463197 1128443299 /nfs/dbraw/zinc/44/32/99/1128443299.db2.gz KEHBTCGIFBULAQ-HUUCEWRRSA-N 2 1 254.462 3.665 20 0 CHADMP CCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000562834880 1128422670 /nfs/dbraw/zinc/42/26/70/1128422670.db2.gz MWEZZLUBJWURRI-SJORKVTESA-N 2 1 274.452 3.848 20 0 CHADMP CCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000562834880 1128422671 /nfs/dbraw/zinc/42/26/71/1128422671.db2.gz MWEZZLUBJWURRI-SJORKVTESA-N 2 1 274.452 3.848 20 0 CHADMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037408398 1128431803 /nfs/dbraw/zinc/43/18/03/1128431803.db2.gz NYSMHHPKPHAIDM-CYGHRXIMSA-N 2 1 278.484 3.521 20 0 CHADMP CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649522 1128434452 /nfs/dbraw/zinc/43/44/52/1128434452.db2.gz PSYXUHPSSFFXPK-CVEARBPZSA-N 2 1 286.463 3.945 20 0 CHADMP c1ccc([C@H]2CCCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC001205171751 1128435919 /nfs/dbraw/zinc/43/59/19/1128435919.db2.gz WXZQBPQSOXZUEO-SJLPKXTDSA-N 2 1 272.436 3.603 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1cccs1 ZINC000125826059 1128454961 /nfs/dbraw/zinc/45/49/61/1128454961.db2.gz RSOBBWQJEPCQFG-LSDHHAIUSA-N 2 1 280.481 3.909 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]C1(C2CCCCC2)CC1 ZINC000934787282 1128469061 /nfs/dbraw/zinc/46/90/61/1128469061.db2.gz IVSKGCKYEFODPE-UHFFFAOYSA-N 2 1 275.440 3.674 20 0 CHADMP Cc1cc(C)c(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1C ZINC000127688238 1128481767 /nfs/dbraw/zinc/48/17/67/1128481767.db2.gz QEPQANCPNHHDMD-UHFFFAOYSA-N 2 1 286.463 3.672 20 0 CHADMP CCC[C@H](C)CC[C@@H](C)N1CCn2c(cnc2C)C1 ZINC001257478009 1128488805 /nfs/dbraw/zinc/48/88/05/1128488805.db2.gz PYRVLPVFAQDPHZ-UONOGXRCSA-N 2 1 263.429 3.612 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000040623170 1128525645 /nfs/dbraw/zinc/52/56/45/1128525645.db2.gz SLSWYLUJORKMEP-XMTFNYHQSA-N 2 1 278.484 3.665 20 0 CHADMP CC[C@H](C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)[NH+]1CCCC1 ZINC000129260720 1128535203 /nfs/dbraw/zinc/53/52/03/1128535203.db2.gz OTCBBMPHBZOBQN-BFHYXJOUSA-N 2 1 292.389 3.572 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC=CCC2)C[C@H]1c1ccccc1 ZINC000556064021 1128543842 /nfs/dbraw/zinc/54/38/42/1128543842.db2.gz UBNFYNBWHWDXHF-NEWSRXKRSA-N 2 1 284.447 3.768 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC=CCC2)C[C@H]1c1ccccc1 ZINC000556064021 1128543843 /nfs/dbraw/zinc/54/38/43/1128543843.db2.gz UBNFYNBWHWDXHF-NEWSRXKRSA-N 2 1 284.447 3.768 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]CCCC2CC2)C[C@H]1c1ccccc1 ZINC000556118372 1128550425 /nfs/dbraw/zinc/55/04/25/1128550425.db2.gz NLBZYQSABQRCES-ROUUACIJSA-N 2 1 272.436 3.602 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CCCC2CC2)C[C@H]1c1ccccc1 ZINC000556118372 1128550428 /nfs/dbraw/zinc/55/04/28/1128550428.db2.gz NLBZYQSABQRCES-ROUUACIJSA-N 2 1 272.436 3.602 20 0 CHADMP CC(C)=CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000567281240 1128561189 /nfs/dbraw/zinc/56/11/89/1128561189.db2.gz OELNHRXQPZJJKP-MSOLQXFVSA-N 2 1 272.436 3.768 20 0 CHADMP CC(C)=CCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000567281240 1128561192 /nfs/dbraw/zinc/56/11/92/1128561192.db2.gz OELNHRXQPZJJKP-MSOLQXFVSA-N 2 1 272.436 3.768 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)C(C)(C)C)CC[N@@H+]1C ZINC000130028408 1128562102 /nfs/dbraw/zinc/56/21/02/1128562102.db2.gz MOCLMHCPXMIUHW-OIISXLGYSA-N 2 1 274.452 3.846 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)C(C)(C)C)CC[N@H+]1C ZINC000130028408 1128562103 /nfs/dbraw/zinc/56/21/03/1128562103.db2.gz MOCLMHCPXMIUHW-OIISXLGYSA-N 2 1 274.452 3.846 20 0 CHADMP Cc1ccc2[nH]c(C[NH2+]C[C@H]3CC[N@H+](C(C)C)C3)cc2c1C ZINC000567312119 1128562235 /nfs/dbraw/zinc/56/22/35/1128562235.db2.gz FMBXGZZKGWTBOQ-MRXNPFEDSA-N 2 1 299.462 3.605 20 0 CHADMP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H](c3ccccc3)C2)CC1 ZINC000498364324 1128565720 /nfs/dbraw/zinc/56/57/20/1128565720.db2.gz OYOQUXGBPVCDLY-PKOBYXMFSA-N 2 1 286.463 3.787 20 0 CHADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCCc2c3ccccc3[nH]c21)C1CCCC1 ZINC000567724431 1128570188 /nfs/dbraw/zinc/57/01/88/1128570188.db2.gz PMUZOHNEDLGBTK-QZTJIDSGSA-N 2 1 297.446 3.652 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C(C)(C)C ZINC000568047237 1128577437 /nfs/dbraw/zinc/57/74/37/1128577437.db2.gz IOWGJEJTFSRZDF-HYVNUMGLSA-N 2 1 274.452 3.846 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C(C)(C)C ZINC000568047237 1128577441 /nfs/dbraw/zinc/57/74/41/1128577441.db2.gz IOWGJEJTFSRZDF-HYVNUMGLSA-N 2 1 274.452 3.846 20 0 CHADMP C/C(=C/c1ccccc1)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000568100153 1128577989 /nfs/dbraw/zinc/57/79/89/1128577989.db2.gz VAXZUTHJGSCJAO-LYDJUCFBSA-N 2 1 284.447 3.508 20 0 CHADMP Cc1ccccc1[C@@H](C(C)C)[N@@H+](C)CCn1ccnc1 ZINC000131313151 1128614307 /nfs/dbraw/zinc/61/43/07/1128614307.db2.gz CKCATMLPERRYRM-QGZVFWFLSA-N 2 1 271.408 3.521 20 0 CHADMP Cc1ccccc1[C@H](C(C)C)[N@@H+](C)CCn1ccnc1 ZINC000131313347 1128614403 /nfs/dbraw/zinc/61/44/03/1128614403.db2.gz CKCATMLPERRYRM-KRWDZBQOSA-N 2 1 271.408 3.521 20 0 CHADMP C[C@@H]1C[C@H](N[C@H]2C[C@H](C)Sc3sccc32)CC[N@H+]1C ZINC000130601954 1128588907 /nfs/dbraw/zinc/58/89/07/1128588907.db2.gz ALAWLRDDXMDGNT-CZXHOFHRSA-N 2 1 296.505 3.746 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C)Sc3sccc32)CCN1C ZINC000130601954 1128588909 /nfs/dbraw/zinc/58/89/09/1128588909.db2.gz ALAWLRDDXMDGNT-CZXHOFHRSA-N 2 1 296.505 3.746 20 0 CHADMP C[C@H](CCC1CC1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000568787190 1128591743 /nfs/dbraw/zinc/59/17/43/1128591743.db2.gz FEPQQYXRQVCNMJ-ATZDWAIDSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@H](CCC1CC1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000568787190 1128591745 /nfs/dbraw/zinc/59/17/45/1128591745.db2.gz FEPQQYXRQVCNMJ-ATZDWAIDSA-N 2 1 286.463 3.990 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](C)Cc1ccccc1C ZINC000569254599 1128602510 /nfs/dbraw/zinc/60/25/10/1128602510.db2.gz SZAIWYLCICEJQH-QGZVFWFLSA-N 2 1 299.462 3.843 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](C)Cc1ccccc1C ZINC000569254599 1128602512 /nfs/dbraw/zinc/60/25/12/1128602512.db2.gz SZAIWYLCICEJQH-QGZVFWFLSA-N 2 1 299.462 3.843 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3sc(Cl)cc32)[C@H](C)C1 ZINC000569277580 1128603788 /nfs/dbraw/zinc/60/37/88/1128603788.db2.gz BYYDHKRRZAJLNC-KGYLQXTDSA-N 2 1 298.883 3.709 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3sc(Cl)cc32)[C@H](C)C1 ZINC000569277580 1128603791 /nfs/dbraw/zinc/60/37/91/1128603791.db2.gz BYYDHKRRZAJLNC-KGYLQXTDSA-N 2 1 298.883 3.709 20 0 CHADMP CCc1cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])ccc1Cl ZINC001236214551 1128617041 /nfs/dbraw/zinc/61/70/41/1128617041.db2.gz FSZNZNYGXDXCMK-JKSUJKDBSA-N 2 1 280.843 3.604 20 0 CHADMP CCc1cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])ccc1Cl ZINC001236214551 1128617042 /nfs/dbraw/zinc/61/70/42/1128617042.db2.gz FSZNZNYGXDXCMK-JKSUJKDBSA-N 2 1 280.843 3.604 20 0 CHADMP CC(C)c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000570320069 1128621437 /nfs/dbraw/zinc/62/14/37/1128621437.db2.gz YCUDVRHGEFXMQP-RTBURBONSA-N 2 1 286.463 3.726 20 0 CHADMP Cc1c(C)c(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])ccc1Cl ZINC001236219909 1128623171 /nfs/dbraw/zinc/62/31/71/1128623171.db2.gz YGYKPQGXVJSDDC-HOTGVXAUSA-N 2 1 280.843 3.659 20 0 CHADMP Cc1c(C)c(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])ccc1Cl ZINC001236219909 1128623172 /nfs/dbraw/zinc/62/31/72/1128623172.db2.gz YGYKPQGXVJSDDC-HOTGVXAUSA-N 2 1 280.843 3.659 20 0 CHADMP C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719910 1128629714 /nfs/dbraw/zinc/62/97/14/1128629714.db2.gz WGJRVLXGYHRUPJ-JKSUJKDBSA-N 2 1 290.426 3.695 20 0 CHADMP C[C@@H](c1cccc(F)c1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719910 1128629716 /nfs/dbraw/zinc/62/97/16/1128629716.db2.gz WGJRVLXGYHRUPJ-JKSUJKDBSA-N 2 1 290.426 3.695 20 0 CHADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)CCn1ccnc1 ZINC000499053623 1128635989 /nfs/dbraw/zinc/63/59/89/1128635989.db2.gz NKMIPNFTMNBEJB-GOSISDBHSA-N 2 1 285.435 3.535 20 0 CHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000556890254 1128636126 /nfs/dbraw/zinc/63/61/26/1128636126.db2.gz VPYOLFIHFYAQCN-SUMWQHHRSA-N 2 1 292.854 3.649 20 0 CHADMP CC[C@H](C)[NH+](C)Cc1cncc(C[N@H+](C)[C@@H](C)CC)c1 ZINC000570771529 1128631889 /nfs/dbraw/zinc/63/18/89/1128631889.db2.gz BPZTWOPNDSHTBH-GJZGRUSLSA-N 2 1 277.456 3.542 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC2CCCC2)C3)cc1 ZINC000499164849 1128655810 /nfs/dbraw/zinc/65/58/10/1128655810.db2.gz ROTSORHARHDBJC-ACDBMABISA-N 2 1 298.474 3.962 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](C)c3ccccc32)C1 ZINC000574114194 1128661485 /nfs/dbraw/zinc/66/14/85/1128661485.db2.gz CGNWEACSLFOWJP-RKVPGOIHSA-N 2 1 272.436 3.556 20 0 CHADMP CC[N@@H+](Cc1cccs1)C1CC[NH+](CC(C)C)CC1 ZINC001258018273 1128673162 /nfs/dbraw/zinc/67/31/62/1128673162.db2.gz ZYCDTCHGFRMUSS-UHFFFAOYSA-N 2 1 280.481 3.690 20 0 CHADMP C[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)CC12CCCCC2 ZINC000577883841 1128696677 /nfs/dbraw/zinc/69/66/77/1128696677.db2.gz UUMISWJWLAKNBM-MRXNPFEDSA-N 2 1 289.467 3.645 20 0 CHADMP C[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)CC12CCCCC2 ZINC000577883841 1128696680 /nfs/dbraw/zinc/69/66/80/1128696680.db2.gz UUMISWJWLAKNBM-MRXNPFEDSA-N 2 1 289.467 3.645 20 0 CHADMP CC(C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000578531571 1128720278 /nfs/dbraw/zinc/72/02/78/1128720278.db2.gz JLLCCXJMMQLTDQ-SFHVURJKSA-N 2 1 286.463 3.819 20 0 CHADMP CC(C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000578531571 1128720282 /nfs/dbraw/zinc/72/02/82/1128720282.db2.gz JLLCCXJMMQLTDQ-SFHVURJKSA-N 2 1 286.463 3.819 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccsc2)C1 ZINC000178750871 1117750844 /nfs/dbraw/zinc/75/08/44/1117750844.db2.gz URTYTDUDGXHKLY-KBPBESRZSA-N 2 1 266.454 3.519 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CCC2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000090233846 1117758541 /nfs/dbraw/zinc/75/85/41/1117758541.db2.gz UCZHKNGQEXIEQX-QFBILLFUSA-N 2 1 286.463 3.819 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CCC2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000090233846 1117758547 /nfs/dbraw/zinc/75/85/47/1117758547.db2.gz UCZHKNGQEXIEQX-QFBILLFUSA-N 2 1 286.463 3.819 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CCC2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000090233850 1117758620 /nfs/dbraw/zinc/75/86/20/1117758620.db2.gz UCZHKNGQEXIEQX-LPHOPBHVSA-N 2 1 286.463 3.819 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CCC2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000090233850 1117758625 /nfs/dbraw/zinc/75/86/25/1117758625.db2.gz UCZHKNGQEXIEQX-LPHOPBHVSA-N 2 1 286.463 3.819 20 0 CHADMP CCc1oc2ccccc2c1C[NH2+]CCC[NH+]1CCCC1 ZINC000035017954 1117761676 /nfs/dbraw/zinc/76/16/76/1117761676.db2.gz JDQVFGYKJXWCBS-UHFFFAOYSA-N 2 1 286.419 3.571 20 0 CHADMP CC[NH+]1CCC([NH2+]C2CCC(c3ccccc3)CC2)CC1 ZINC000034996402 1117790512 /nfs/dbraw/zinc/79/05/12/1117790512.db2.gz LINDSNVXQBTETG-UHFFFAOYSA-N 2 1 286.463 3.787 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C2CC2)cc1 ZINC000623352080 1117839537 /nfs/dbraw/zinc/83/95/37/1117839537.db2.gz ONQLTJKRLCQZEU-MSOLQXFVSA-N 2 1 286.463 3.909 20 0 CHADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623400572 1117850835 /nfs/dbraw/zinc/85/08/35/1117850835.db2.gz YIEFEFZTRLCMSA-HRCADAONSA-N 2 1 266.473 3.664 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H](c2ccccc2)C2CCC2)CC1(C)C ZINC000623401032 1117851587 /nfs/dbraw/zinc/85/15/87/1117851587.db2.gz OOMIRXQJZIKAQM-ROUUACIJSA-N 2 1 286.463 3.990 20 0 CHADMP Cc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c(C)c1 ZINC000623410869 1117851610 /nfs/dbraw/zinc/85/16/10/1117851610.db2.gz JEABBYOWLSUQHN-FUHWJXTLSA-N 2 1 288.479 3.697 20 0 CHADMP CC[C@@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1cc(F)ccc1F ZINC000623428243 1117854491 /nfs/dbraw/zinc/85/44/91/1117854491.db2.gz CZIUFSPFHXVVER-XJKSGUPXSA-N 2 1 296.405 3.878 20 0 CHADMP CC(C)[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1F ZINC000623564790 1117872140 /nfs/dbraw/zinc/87/21/40/1117872140.db2.gz QYURXFRVQLTRQC-RHSMWYFYSA-N 2 1 292.442 3.985 20 0 CHADMP CC(C)[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1F ZINC000623564790 1117872146 /nfs/dbraw/zinc/87/21/46/1117872146.db2.gz QYURXFRVQLTRQC-RHSMWYFYSA-N 2 1 292.442 3.985 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccoc2)c1 ZINC000177980305 1117884181 /nfs/dbraw/zinc/88/41/81/1117884181.db2.gz UATFOHVARBSPNI-OAHLLOKOSA-N 2 1 286.419 3.971 20 0 CHADMP CC[N@H+](CCC[NH2+][C@H](C)c1cccnc1)C1CCCCC1 ZINC000650131609 1117896228 /nfs/dbraw/zinc/89/62/28/1117896228.db2.gz UXOLEYCRKOJEJQ-MRXNPFEDSA-N 2 1 289.467 3.777 20 0 CHADMP CC[N@@H+](CCC[NH2+][C@H](C)c1cccnc1)C1CCCCC1 ZINC000650131609 1117896234 /nfs/dbraw/zinc/89/62/34/1117896234.db2.gz UXOLEYCRKOJEJQ-MRXNPFEDSA-N 2 1 289.467 3.777 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(C)ccc1C ZINC000683225107 1117900513 /nfs/dbraw/zinc/90/05/13/1117900513.db2.gz WOPDKPCBYQBMNM-UHFFFAOYSA-N 2 1 299.462 3.975 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(C)ccc1C ZINC000683225107 1117900516 /nfs/dbraw/zinc/90/05/16/1117900516.db2.gz WOPDKPCBYQBMNM-UHFFFAOYSA-N 2 1 299.462 3.975 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H]3[C@@H]4CCC[C@@H]43)CC23CC3)cc1 ZINC000579377285 1128746304 /nfs/dbraw/zinc/74/63/04/1128746304.db2.gz LUVKLDSVUHQZPV-INDMIFKZSA-N 2 1 296.458 3.572 20 0 CHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@H]3[C@@H]4CCC[C@@H]43)CC23CC3)cc1 ZINC000579377285 1128746305 /nfs/dbraw/zinc/74/63/05/1128746305.db2.gz LUVKLDSVUHQZPV-INDMIFKZSA-N 2 1 296.458 3.572 20 0 CHADMP C[NH+]1CCC([NH2+][C@@H](CC(C)(C)C)c2ccccc2)CC1 ZINC000037128468 1117967960 /nfs/dbraw/zinc/96/79/60/1117967960.db2.gz IPLUZXQPPFJCBG-KRWDZBQOSA-N 2 1 274.452 3.848 20 0 CHADMP Cc1ccc([C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C2CCC2)o1 ZINC000624121702 1117984981 /nfs/dbraw/zinc/98/49/81/1117984981.db2.gz BFIQCGFOXLKUAK-YJBOKZPZSA-N 2 1 290.451 3.751 20 0 CHADMP Cc1ccc([C@@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)C2CCC2)o1 ZINC000624121702 1117984983 /nfs/dbraw/zinc/98/49/83/1117984983.db2.gz BFIQCGFOXLKUAK-YJBOKZPZSA-N 2 1 290.451 3.751 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc2ccccc2n1 ZINC000624121131 1117985233 /nfs/dbraw/zinc/98/52/33/1117985233.db2.gz OSMMTOFMSXXUQP-HOTGVXAUSA-N 2 1 297.446 3.617 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc2ccccc2n1 ZINC000624121131 1117985236 /nfs/dbraw/zinc/98/52/36/1117985236.db2.gz OSMMTOFMSXXUQP-HOTGVXAUSA-N 2 1 297.446 3.617 20 0 CHADMP Cc1cc(C)cc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000624120946 1117985643 /nfs/dbraw/zinc/98/56/43/1117985643.db2.gz KOOBHLYFMIJLOT-IRXDYDNUSA-N 2 1 274.452 3.686 20 0 CHADMP Cc1ccccc1C1CC([NH2+]C[C@@H]2CCCC[N@H+](C)C2)C1 ZINC000624122105 1117985817 /nfs/dbraw/zinc/98/58/17/1117985817.db2.gz JWVRSUWZDDOULM-AOCRQIFASA-N 2 1 286.463 3.563 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(F)c(Cl)c1 ZINC000624120712 1117985940 /nfs/dbraw/zinc/98/59/40/1117985940.db2.gz FPMDBIBTOOTLDO-OLZOCXBDSA-N 2 1 298.833 3.862 20 0 CHADMP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000624119458 1117986213 /nfs/dbraw/zinc/98/62/13/1117986213.db2.gz BMESHBQENRNSDY-DLBZAZTESA-N 2 1 274.452 3.686 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(F)cc1F ZINC000624121261 1117986396 /nfs/dbraw/zinc/98/63/96/1117986396.db2.gz RWKGMRXMCOVBDW-CXAGYDPISA-N 2 1 296.405 3.737 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1F ZINC000624121261 1117986400 /nfs/dbraw/zinc/98/64/00/1117986400.db2.gz RWKGMRXMCOVBDW-CXAGYDPISA-N 2 1 296.405 3.737 20 0 CHADMP C[C@@H](CCC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624123960 1117986451 /nfs/dbraw/zinc/98/64/51/1117986451.db2.gz UTJJDTVWQWYLBJ-GJZGRUSLSA-N 2 1 254.462 3.523 20 0 CHADMP Cc1c(C)c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)ccc1Cl ZINC001206809393 1117996595 /nfs/dbraw/zinc/99/65/95/1117996595.db2.gz LPHOAUASKLQHQJ-BXUZGUMPSA-N 2 1 280.843 3.516 20 0 CHADMP CC1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000354197385 1117997312 /nfs/dbraw/zinc/99/73/12/1117997312.db2.gz ZNPXYVACFZKYQF-PDTIQJOESA-N 2 1 284.447 3.570 20 0 CHADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC001206811216 1118008606 /nfs/dbraw/zinc/00/86/06/1118008606.db2.gz RUNLZVVCGYYFSE-ZBFHGGJFSA-N 2 1 272.436 3.513 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](C)Cc2ccccc2)C1 ZINC000182060549 1118012599 /nfs/dbraw/zinc/01/25/99/1118012599.db2.gz DVDMLAHUYYUNHQ-HKUYNNGSSA-N 2 1 288.479 3.575 20 0 CHADMP CC/C=C\CCCCCC[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001209288115 1118023544 /nfs/dbraw/zinc/02/35/44/1118023544.db2.gz CTLDMDRBAMFASG-SPCWZHTESA-N 2 1 278.484 3.787 20 0 CHADMP CC/C=C\CCCCCC[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001209288115 1118023548 /nfs/dbraw/zinc/02/35/48/1118023548.db2.gz CTLDMDRBAMFASG-SPCWZHTESA-N 2 1 278.484 3.787 20 0 CHADMP C[C@H](CC[NH2+][C@@H](C)C1(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000361735362 1118030854 /nfs/dbraw/zinc/03/08/54/1118030854.db2.gz IVTAHDWYWNWZIX-CVEARBPZSA-N 2 1 274.452 3.675 20 0 CHADMP c1cn(CCC[N@@H+](C2CC2)[C@@H]2CCCc3ccccc32)cn1 ZINC000182877980 1118031282 /nfs/dbraw/zinc/03/12/82/1118031282.db2.gz RUXMPIQFJYGGJI-LJQANCHMSA-N 2 1 295.430 3.815 20 0 CHADMP Cc1nc(C)c([C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)s1 ZINC000184499602 1118054108 /nfs/dbraw/zinc/05/41/08/1118054108.db2.gz HKRJSOGFACILTQ-QWHCGFSZSA-N 2 1 295.496 3.675 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H]1CCCN(C)C1 ZINC000247030012 1118065276 /nfs/dbraw/zinc/06/52/76/1118065276.db2.gz RBDBHVOXEIJBHP-YOEHRIQHSA-N 2 1 278.415 3.550 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247030012 1118065282 /nfs/dbraw/zinc/06/52/82/1118065282.db2.gz RBDBHVOXEIJBHP-YOEHRIQHSA-N 2 1 278.415 3.550 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247030012 1118065285 /nfs/dbraw/zinc/06/52/85/1118065285.db2.gz RBDBHVOXEIJBHP-YOEHRIQHSA-N 2 1 278.415 3.550 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000340192324 1118108115 /nfs/dbraw/zinc/10/81/15/1118108115.db2.gz YFHJQPFNRNTBPJ-MRXNPFEDSA-N 2 1 275.440 3.674 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCC12CCCC2 ZINC000340254712 1118124518 /nfs/dbraw/zinc/12/45/18/1118124518.db2.gz COGHLZMTCVYSGN-INIZCTEOSA-N 2 1 275.440 3.674 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@H]2C(C)(C)C)CC[N@H+]1C ZINC000765386627 1118148465 /nfs/dbraw/zinc/14/84/65/1118148465.db2.gz UDHFANXWLWEGRS-YYIAUSFCSA-N 2 1 280.500 3.911 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C1CCCCCC1 ZINC000237498083 1118149280 /nfs/dbraw/zinc/14/92/80/1118149280.db2.gz FWVVEIUNICSINJ-INIZCTEOSA-N 2 1 266.473 3.953 20 0 CHADMP Cc1cc2c(c(C)c1)[C@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CC2 ZINC000655764400 1118206520 /nfs/dbraw/zinc/20/65/20/1118206520.db2.gz GLLMYWNFMXTESY-CTWPCTMYSA-N 2 1 298.474 3.897 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C1CCCCC1 ZINC001648816706 1118228925 /nfs/dbraw/zinc/22/89/25/1118228925.db2.gz DZLRTCMOOQAEBG-HNNXBMFYSA-N 2 1 252.446 3.563 20 0 CHADMP C[C@H](F)CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000340459322 1118264298 /nfs/dbraw/zinc/26/42/98/1118264298.db2.gz CWXQLIJNUOFKOZ-ZLPCBKJTSA-N 2 1 292.442 3.767 20 0 CHADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCC34CCC4)CC2)cc1 ZINC000282189723 1118280788 /nfs/dbraw/zinc/28/07/88/1118280788.db2.gz NGQCYVQUYNZVFB-IBGZPJMESA-N 2 1 298.474 3.616 20 0 CHADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000063274542 1118314453 /nfs/dbraw/zinc/31/44/53/1118314453.db2.gz DSOXJTLHFGJUII-MRXNPFEDSA-N 2 1 298.430 3.909 20 0 CHADMP C[C@H]([NH2+]CC1CC(C)(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000528439851 1118389528 /nfs/dbraw/zinc/38/95/28/1118389528.db2.gz IWYCXAUMWLMRHY-HOCLYGCPSA-N 2 1 278.484 3.665 20 0 CHADMP C[C@@H]1C[C@@H](N(C)C/C=C\c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000255472134 1118437685 /nfs/dbraw/zinc/43/76/85/1118437685.db2.gz YOZPBIKLDLPDEY-DSLFPGPSSA-N 2 1 292.854 3.768 20 0 CHADMP C[C@@H]1C[C@@H](N(C)C/C=C\c2ccc(Cl)cc2)CC[N@H+]1C ZINC000255472134 1118437686 /nfs/dbraw/zinc/43/76/86/1118437686.db2.gz YOZPBIKLDLPDEY-DSLFPGPSSA-N 2 1 292.854 3.768 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c(C)o1 ZINC000252423484 1118440348 /nfs/dbraw/zinc/44/03/48/1118440348.db2.gz XQKYCXIUIXBMRL-UKRRQHHQSA-N 2 1 278.440 3.812 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c(C)o1 ZINC000252423484 1118440350 /nfs/dbraw/zinc/44/03/50/1118440350.db2.gz XQKYCXIUIXBMRL-UKRRQHHQSA-N 2 1 278.440 3.812 20 0 CHADMP CCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001659026269 1118475165 /nfs/dbraw/zinc/47/51/65/1118475165.db2.gz SMCAJWTWYJJITR-RDJZCZTQSA-N 2 1 266.473 3.952 20 0 CHADMP CC[NH+](CC)C1CC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC000075640809 1118486546 /nfs/dbraw/zinc/48/65/46/1118486546.db2.gz QDVTUDNUZZLJDE-INIZCTEOSA-N 2 1 274.452 3.862 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC[C@H](C)c1ccccc1 ZINC000349349485 1118503049 /nfs/dbraw/zinc/50/30/49/1118503049.db2.gz ONNQBEKVVGTZRV-INIZCTEOSA-N 2 1 285.435 3.707 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC[C@H](C)c1ccccc1 ZINC000349349485 1118503051 /nfs/dbraw/zinc/50/30/51/1118503051.db2.gz ONNQBEKVVGTZRV-INIZCTEOSA-N 2 1 285.435 3.707 20 0 CHADMP CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)[NH+]1CCCC1 ZINC000084982820 1118506610 /nfs/dbraw/zinc/50/66/10/1118506610.db2.gz PABQBLHFOGGENX-TWMKSMIVSA-N 2 1 266.473 3.521 20 0 CHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@H]3CC34CC4)CC23CC3)cc1 ZINC000580892117 1118517268 /nfs/dbraw/zinc/51/72/68/1118517268.db2.gz CNGBCZDRYIZJKQ-QZTJIDSGSA-N 2 1 296.458 3.573 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@H]3CC34CC4)CC23CC3)cc1 ZINC000580892117 1118517272 /nfs/dbraw/zinc/51/72/72/1118517272.db2.gz CNGBCZDRYIZJKQ-QZTJIDSGSA-N 2 1 296.458 3.573 20 0 CHADMP CCCC[C@@H](CC)[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000398323720 1118527331 /nfs/dbraw/zinc/52/73/31/1118527331.db2.gz NSAAMZNTZBBDPM-YRXWBPOGSA-N 2 1 286.463 3.675 20 0 CHADMP CCCC[C@@H](CC)[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000398323720 1118527333 /nfs/dbraw/zinc/52/73/33/1118527333.db2.gz NSAAMZNTZBBDPM-YRXWBPOGSA-N 2 1 286.463 3.675 20 0 CHADMP CC(C)c1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001167458222 1118576156 /nfs/dbraw/zinc/57/61/56/1118576156.db2.gz SLJPLQSAIMSQOV-KRWDZBQOSA-N 2 1 286.463 3.728 20 0 CHADMP Clc1sccc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656781973 1118654438 /nfs/dbraw/zinc/65/44/38/1118654438.db2.gz BKMXFRAGDHFNDG-ZDUSSCGKSA-N 2 1 298.883 3.613 20 0 CHADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(C2CCCC2)c1 ZINC000656786768 1118658949 /nfs/dbraw/zinc/65/89/49/1118658949.db2.gz QHHCQELRTRFOSH-GOEBONIOSA-N 2 1 272.436 3.513 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(C)ccc2C)CC1 ZINC000510469259 1118708649 /nfs/dbraw/zinc/70/86/49/1118708649.db2.gz LPYZZHSPHMBIOZ-UHFFFAOYSA-N 2 1 274.452 3.610 20 0 CHADMP C[C@@H](C1CC1)[NH+](C)CCCCC[N@H+](C)[C@@H](C)C1CC1 ZINC000157644017 1118741896 /nfs/dbraw/zinc/74/18/96/1118741896.db2.gz ZKXORQYHXMEQGT-GJZGRUSLSA-N 2 1 266.473 3.617 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2CC)C1 ZINC000430732713 1118764804 /nfs/dbraw/zinc/76/48/04/1118764804.db2.gz PYEXRVFNFFGMPE-VVLHAWIVSA-N 2 1 266.473 3.523 20 0 CHADMP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000430749211 1118767017 /nfs/dbraw/zinc/76/70/17/1118767017.db2.gz INBHRYFWIRPGGD-LASHMREHSA-N 2 1 298.474 3.675 20 0 CHADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001648913643 1118770237 /nfs/dbraw/zinc/77/02/37/1118770237.db2.gz BXCMHHMSFGIKKZ-LTIDMASMSA-N 2 1 280.500 3.911 20 0 CHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001648913643 1118770240 /nfs/dbraw/zinc/77/02/40/1118770240.db2.gz BXCMHHMSFGIKKZ-LTIDMASMSA-N 2 1 280.500 3.911 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000510756981 1118807179 /nfs/dbraw/zinc/80/71/79/1118807179.db2.gz UIIZUUKPIQAFBW-BRWVUGGUSA-N 2 1 284.463 3.759 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2CCCF)C1 ZINC000510756010 1118807518 /nfs/dbraw/zinc/80/75/18/1118807518.db2.gz YHEINOBJKPMJBH-IKGGRYGDSA-N 2 1 284.463 3.615 20 0 CHADMP CC(C)CCCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129535256 1118860280 /nfs/dbraw/zinc/86/02/80/1118860280.db2.gz DZBMACPRJMGIQG-HZPDHXFCSA-N 2 1 254.462 3.665 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CC(C)(C)CC(C)(C)C2)C1 ZINC000129704790 1118883489 /nfs/dbraw/zinc/88/34/89/1118883489.db2.gz OIWNDRPFSXCLDB-OAHLLOKOSA-N 2 1 280.500 3.911 20 0 CHADMP CC[C@H](C)[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001167503515 1118943630 /nfs/dbraw/zinc/94/36/30/1118943630.db2.gz AUOBAZKPIKYWKF-SCTDSRPQSA-N 2 1 288.479 3.875 20 0 CHADMP CC[C@H](C)[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001167503515 1118943632 /nfs/dbraw/zinc/94/36/32/1118943632.db2.gz AUOBAZKPIKYWKF-SCTDSRPQSA-N 2 1 288.479 3.875 20 0 CHADMP CCSc1cccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000472048187 1118950649 /nfs/dbraw/zinc/95/06/49/1118950649.db2.gz OULQJWZRQYMKJW-YOEHRIQHSA-N 2 1 292.492 3.619 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC000511054756 1118985906 /nfs/dbraw/zinc/98/59/06/1118985906.db2.gz QDFIKQDMDSZODV-INIZCTEOSA-N 2 1 299.462 3.928 20 0 CHADMP CCc1cccc2cc(C[NH2+]CCCn3cc[nH+]c3C)oc21 ZINC000657318371 1118997235 /nfs/dbraw/zinc/99/72/35/1118997235.db2.gz KQYBKSVWOQPMFQ-UHFFFAOYSA-N 2 1 297.402 3.680 20 0 CHADMP Cc1cc(C)[nH+]c(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000707940900 1119016132 /nfs/dbraw/zinc/01/61/32/1119016132.db2.gz IVQXQPAGXFWDII-SFHVURJKSA-N 2 1 295.430 3.775 20 0 CHADMP Cc1cc(C)[nH+]c(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000707940900 1119016137 /nfs/dbraw/zinc/01/61/37/1119016137.db2.gz IVQXQPAGXFWDII-SFHVURJKSA-N 2 1 295.430 3.775 20 0 CHADMP CC[C@@H]1CCC[C@@H]([NH2+]CCCCn2cc[nH+]c2C)CC1 ZINC000657374440 1119040092 /nfs/dbraw/zinc/04/00/92/1119040092.db2.gz LFDKKSJTEQQWAH-IAGOWNOFSA-N 2 1 277.456 3.920 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@@H](C)c3ccccc32)C1 ZINC000582383125 1119064367 /nfs/dbraw/zinc/06/43/67/1119064367.db2.gz MHZPQVAWNXHILB-GPMSIDNRSA-N 2 1 286.463 3.945 20 0 CHADMP c1cc2cc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)ccc2[nH]1 ZINC000628181521 1128822604 /nfs/dbraw/zinc/82/26/04/1128822604.db2.gz GMWHKKLSDBKLSU-SFHVURJKSA-N 2 1 297.446 3.618 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)CCC(C)(C)C ZINC000342697737 1119129565 /nfs/dbraw/zinc/12/95/65/1119129565.db2.gz FRMNGTPAXADVKG-CQSZACIVSA-N 2 1 265.445 3.776 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1c(C)cccc1C ZINC000342784541 1119165824 /nfs/dbraw/zinc/16/58/24/1119165824.db2.gz QLFAGYNJQSKFBT-INIZCTEOSA-N 2 1 285.435 3.939 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C1CC(F)(F)C1 ZINC000628203028 1128827127 /nfs/dbraw/zinc/82/71/27/1128827127.db2.gz QLEMYJOKKPIGMD-UONOGXRCSA-N 2 1 288.426 3.522 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1CCC(C)C ZINC000342859315 1119212532 /nfs/dbraw/zinc/21/25/32/1119212532.db2.gz INJFFGUUFNUJCI-KRWDZBQOSA-N 2 1 277.456 3.872 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1CCC(C)C ZINC000342859315 1119212535 /nfs/dbraw/zinc/21/25/35/1119212535.db2.gz INJFFGUUFNUJCI-KRWDZBQOSA-N 2 1 277.456 3.872 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000342860574 1119215295 /nfs/dbraw/zinc/21/52/95/1119215295.db2.gz PIRIBHPYPXFYNW-QFBILLFUSA-N 2 1 297.446 3.707 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000342860574 1119215299 /nfs/dbraw/zinc/21/52/99/1119215299.db2.gz PIRIBHPYPXFYNW-QFBILLFUSA-N 2 1 297.446 3.707 20 0 CHADMP CCC[C@H](C)CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC001167648745 1119274231 /nfs/dbraw/zinc/27/42/31/1119274231.db2.gz XORLRLKPZJNTEY-YESZJQIVSA-N 2 1 266.473 3.619 20 0 CHADMP CCC[C@H](C)CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001167648745 1119274234 /nfs/dbraw/zinc/27/42/34/1119274234.db2.gz XORLRLKPZJNTEY-YESZJQIVSA-N 2 1 266.473 3.619 20 0 CHADMP CCC[C@H](C)CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001167648745 1119274239 /nfs/dbraw/zinc/27/42/39/1119274239.db2.gz XORLRLKPZJNTEY-YESZJQIVSA-N 2 1 266.473 3.619 20 0 CHADMP Cc1ccc([C@@H](C)C[N@H+]2CCCC23CC[NH+](C)CC3)cc1 ZINC000628244268 1128835484 /nfs/dbraw/zinc/83/54/84/1128835484.db2.gz ZOVLYDMZKGCITR-KRWDZBQOSA-N 2 1 286.463 3.659 20 0 CHADMP Clc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000343112356 1119314883 /nfs/dbraw/zinc/31/48/83/1119314883.db2.gz XWMHPVNOVXCODL-QGZVFWFLSA-N 2 1 290.838 3.544 20 0 CHADMP CCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCC)C1)c1ccccc1 ZINC000151094440 1119392768 /nfs/dbraw/zinc/39/27/68/1119392768.db2.gz NWRGRGQINNVIRD-FUHWJXTLSA-N 2 1 274.452 3.849 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000131795143 1119435989 /nfs/dbraw/zinc/43/59/89/1119435989.db2.gz NJKLJFHRSHDTTG-RTBURBONSA-N 2 1 297.446 3.898 20 0 CHADMP C[C@@H]1CC[N@H+](C2CCC(c3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000253185775 1119451035 /nfs/dbraw/zinc/45/10/35/1119451035.db2.gz IFNJVPTVVDOOSW-ZTRSQXPZSA-N 2 1 286.463 3.630 20 0 CHADMP CCSc1cccc(C[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000343597712 1119466899 /nfs/dbraw/zinc/46/68/99/1119466899.db2.gz DGKAPEKOOUZHJL-UHFFFAOYSA-N 2 1 292.492 3.716 20 0 CHADMP CCSc1cccc(C[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000343597712 1119466902 /nfs/dbraw/zinc/46/69/02/1119466902.db2.gz DGKAPEKOOUZHJL-UHFFFAOYSA-N 2 1 292.492 3.716 20 0 CHADMP CCC(CC)[C@H](C[NH2+][C@H](C)C(C)(C)C(F)F)[NH+](C)C ZINC000657832232 1119482652 /nfs/dbraw/zinc/48/26/52/1119482652.db2.gz JVLBHGRUKQYJPC-YPMHNXCESA-N 2 1 278.431 3.622 20 0 CHADMP C[C@@H]1CCC[NH+]1Cc1ccccc1C[N@@H+]1CCC[C@@H]1C ZINC000343749011 1119501924 /nfs/dbraw/zinc/50/19/24/1119501924.db2.gz XOPXXMHPWVDITH-IYBDPMFKSA-N 2 1 272.436 3.655 20 0 CHADMP C[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH+]1CCC[C@@H]1C ZINC000343749011 1119501928 /nfs/dbraw/zinc/50/19/28/1119501928.db2.gz XOPXXMHPWVDITH-IYBDPMFKSA-N 2 1 272.436 3.655 20 0 CHADMP C[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH+]1CCC[C@@H]1C ZINC000343749011 1119501932 /nfs/dbraw/zinc/50/19/32/1119501932.db2.gz XOPXXMHPWVDITH-IYBDPMFKSA-N 2 1 272.436 3.655 20 0 CHADMP CC(C)c1nc(Cn2cnc3c2CCCC3)c2ccccn21 ZINC000628371753 1128851153 /nfs/dbraw/zinc/85/11/53/1128851153.db2.gz BWPAVMVYEFFJBZ-UHFFFAOYSA-N 2 1 294.402 3.581 20 0 CHADMP Cc1ccccc1CCC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000084677387 1119528474 /nfs/dbraw/zinc/52/84/74/1119528474.db2.gz SCUGAFWQXXBCMY-UHFFFAOYSA-N 2 1 288.479 3.732 20 0 CHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC000685463102 1119610606 /nfs/dbraw/zinc/61/06/06/1119610606.db2.gz DMLWBHOKUCMULH-GOSISDBHSA-N 2 1 278.484 3.621 20 0 CHADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1nccc2ccccc21 ZINC000685459751 1119612037 /nfs/dbraw/zinc/61/20/37/1119612037.db2.gz VQPVCUZKWJUPFL-UHFFFAOYSA-N 2 1 297.446 3.543 20 0 CHADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1nccc2ccccc21 ZINC000685459751 1119612038 /nfs/dbraw/zinc/61/20/38/1119612038.db2.gz VQPVCUZKWJUPFL-UHFFFAOYSA-N 2 1 297.446 3.543 20 0 CHADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000657936305 1119646285 /nfs/dbraw/zinc/64/62/85/1119646285.db2.gz FIFKGWMRYPRDSY-QGZVFWFLSA-N 2 1 292.854 3.513 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000685666184 1119650233 /nfs/dbraw/zinc/65/02/33/1119650233.db2.gz RTPAYXDSVMZAJJ-KBPBESRZSA-N 2 1 290.442 3.910 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000685666184 1119650236 /nfs/dbraw/zinc/65/02/36/1119650236.db2.gz RTPAYXDSVMZAJJ-KBPBESRZSA-N 2 1 290.442 3.910 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](CC)Cc1cccs1 ZINC000685665969 1119650430 /nfs/dbraw/zinc/65/04/30/1119650430.db2.gz FYKYUCGVYVQOFW-CABCVRRESA-N 2 1 282.497 3.779 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](CC)Cc1cccs1 ZINC000685665969 1119650432 /nfs/dbraw/zinc/65/04/32/1119650432.db2.gz FYKYUCGVYVQOFW-CABCVRRESA-N 2 1 282.497 3.779 20 0 CHADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000223071713 1119654590 /nfs/dbraw/zinc/65/45/90/1119654590.db2.gz QLYDNDKIAQUFRD-KBPBESRZSA-N 2 1 282.859 3.591 20 0 CHADMP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658228161 1119706462 /nfs/dbraw/zinc/70/64/62/1119706462.db2.gz GWBROEXVWBQEPI-CHWSQXEVSA-N 2 1 292.389 3.714 20 0 CHADMP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658228161 1119706465 /nfs/dbraw/zinc/70/64/65/1119706465.db2.gz GWBROEXVWBQEPI-CHWSQXEVSA-N 2 1 292.389 3.714 20 0 CHADMP CC1CC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000658320139 1119722932 /nfs/dbraw/zinc/72/29/32/1119722932.db2.gz NVVXQUPPQMGJKW-CUYAVPTFSA-N 2 1 298.474 3.677 20 0 CHADMP CCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340301734 1119750114 /nfs/dbraw/zinc/75/01/14/1119750114.db2.gz HCHOBLKDFNEUKM-IAGOWNOFSA-N 2 1 272.436 3.602 20 0 CHADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340301734 1119750116 /nfs/dbraw/zinc/75/01/16/1119750116.db2.gz HCHOBLKDFNEUKM-IAGOWNOFSA-N 2 1 272.436 3.602 20 0 CHADMP CC(C)CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccoc1 ZINC000375889121 1119778489 /nfs/dbraw/zinc/77/84/89/1119778489.db2.gz NUWQWZQYTQUTAH-KURKYZTESA-N 2 1 290.451 3.973 20 0 CHADMP CC(C)CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccoc1 ZINC000375889121 1119778492 /nfs/dbraw/zinc/77/84/92/1119778492.db2.gz NUWQWZQYTQUTAH-KURKYZTESA-N 2 1 290.451 3.973 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C(C1CC1)C1CC1 ZINC000154851110 1119831030 /nfs/dbraw/zinc/83/10/30/1119831030.db2.gz OHBQTODDOOWKDA-UHFFFAOYSA-N 2 1 286.463 3.805 20 0 CHADMP C[C@@H](CC1CCC1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309741481 1119834458 /nfs/dbraw/zinc/83/44/58/1119834458.db2.gz RZCSUUAGPLEZHR-LPHOPBHVSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)CCc2ccc3ccccc3c2)CC[N@@H+]1C ZINC000531142951 1119887381 /nfs/dbraw/zinc/88/73/81/1119887381.db2.gz GTIPHWZAXVNAPE-OXJNMPFZSA-N 2 1 296.458 3.797 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)CCc2ccc3ccccc3c2)CC[N@H+]1C ZINC000531142951 1119887385 /nfs/dbraw/zinc/88/73/85/1119887385.db2.gz GTIPHWZAXVNAPE-OXJNMPFZSA-N 2 1 296.458 3.797 20 0 CHADMP C[C@H]1C[C@H]([N@H+](C)CCc2ccc3ccccc3c2)CC[NH+]1C ZINC000531142951 1119887387 /nfs/dbraw/zinc/88/73/87/1119887387.db2.gz GTIPHWZAXVNAPE-OXJNMPFZSA-N 2 1 296.458 3.797 20 0 CHADMP C[C@H]1C[C@H]([N@@H+](C)CCc2ccc3ccccc3c2)CC[NH+]1C ZINC000531142951 1119887389 /nfs/dbraw/zinc/88/73/89/1119887389.db2.gz GTIPHWZAXVNAPE-OXJNMPFZSA-N 2 1 296.458 3.797 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2C[C@@H]2C)cc1 ZINC000414108259 1119900896 /nfs/dbraw/zinc/90/08/96/1119900896.db2.gz JYCGUMQNDVDXNK-UYAYXHRUSA-N 2 1 283.419 3.876 20 0 CHADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000414170436 1119925143 /nfs/dbraw/zinc/92/51/43/1119925143.db2.gz CAMWFAHNJFHGGX-WMLDXEAASA-N 2 1 278.415 3.598 20 0 CHADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000414172339 1119925967 /nfs/dbraw/zinc/92/59/67/1119925967.db2.gz DXAUZFYJQOABOW-ZFWWWQNUSA-N 2 1 266.454 3.521 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000414172592 1119926510 /nfs/dbraw/zinc/92/65/10/1119926510.db2.gz FMPQAIXANGOPBN-ZIAGYGMSSA-N 2 1 280.843 3.723 20 0 CHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000414176532 1119927818 /nfs/dbraw/zinc/92/78/18/1119927818.db2.gz IGZBTXUPTQMABS-RDTXWAMCSA-N 2 1 290.426 3.598 20 0 CHADMP CC(C)CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000414181145 1119928840 /nfs/dbraw/zinc/92/88/40/1119928840.db2.gz MAHHAGZRHVJFFZ-DOTOQJQBSA-N 2 1 266.473 3.523 20 0 CHADMP CC(C)[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000414185558 1119930483 /nfs/dbraw/zinc/93/04/83/1119930483.db2.gz PAIVEMGVLBPHOD-FUHWJXTLSA-N 2 1 274.452 3.705 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1nccc2ccccc21 ZINC000414187075 1119931902 /nfs/dbraw/zinc/93/19/02/1119931902.db2.gz PPJSVJQNIRRVDK-CVEARBPZSA-N 2 1 297.446 3.617 20 0 CHADMP Cc1cccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1C ZINC000414197488 1119934212 /nfs/dbraw/zinc/93/42/12/1119934212.db2.gz WNSYGTXLNKJAEE-IAGOWNOFSA-N 2 1 274.452 3.686 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(C2CC2)c1 ZINC000414198137 1119935889 /nfs/dbraw/zinc/93/58/89/1119935889.db2.gz WCSNAERYAPFAHL-HOTGVXAUSA-N 2 1 286.463 3.947 20 0 CHADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414202417 1119936529 /nfs/dbraw/zinc/93/65/29/1119936529.db2.gz YPKPBSWXAFIIJA-NUJGCVRESA-N 2 1 286.463 3.865 20 0 CHADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCCC[C@H]3F)CC2)C1 ZINC000414284167 1119965366 /nfs/dbraw/zinc/96/53/66/1119965366.db2.gz KFOJGPAINFVRAG-DZJNRPSUSA-N 2 1 296.474 3.900 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1C(C)(C)C ZINC000414304071 1119973411 /nfs/dbraw/zinc/97/34/11/1119973411.db2.gz OMLLYCAAQDGODI-QCODTGAPSA-N 2 1 266.473 3.520 20 0 CHADMP c1coc([C@@H]2C[C@H]2[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000414343703 1119991875 /nfs/dbraw/zinc/99/18/75/1119991875.db2.gz QYQUKCPJWLTMFW-IAGOWNOFSA-N 2 1 288.435 3.522 20 0 CHADMP C(CC[N@H+]1CCCC2(CC2)C1)C[NH+]1CCCC2(CC2)C1 ZINC000186989108 1120009098 /nfs/dbraw/zinc/00/90/98/1120009098.db2.gz ZAHMBMMIWCGKGD-UHFFFAOYSA-N 2 1 276.468 3.519 20 0 CHADMP Cc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C2CCC2)cc1 ZINC000187187974 1120013288 /nfs/dbraw/zinc/01/32/88/1120013288.db2.gz NUYIGJOBGYWMMJ-QFBILLFUSA-N 2 1 286.463 3.768 20 0 CHADMP C[C@H](CC[NH2+][C@@H](C)c1ccncc1)[N@H+](C)Cc1ccccc1 ZINC000177465763 1120037912 /nfs/dbraw/zinc/03/79/12/1120037912.db2.gz PKAYGRBADRXUCC-SJORKVTESA-N 2 1 297.446 3.643 20 0 CHADMP C[C@H](CC[NH2+][C@@H](C)c1ccncc1)[N@@H+](C)Cc1ccccc1 ZINC000177465763 1120037918 /nfs/dbraw/zinc/03/79/18/1120037918.db2.gz PKAYGRBADRXUCC-SJORKVTESA-N 2 1 297.446 3.643 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000179313375 1120092071 /nfs/dbraw/zinc/09/20/71/1120092071.db2.gz SQYRPQVHQALPTF-SJORKVTESA-N 2 1 275.440 3.626 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000179313375 1120092077 /nfs/dbraw/zinc/09/20/77/1120092077.db2.gz SQYRPQVHQALPTF-SJORKVTESA-N 2 1 275.440 3.626 20 0 CHADMP CC(C)[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000314114591 1120170647 /nfs/dbraw/zinc/17/06/47/1120170647.db2.gz ILTIJBLXWQJOBJ-GOSISDBHSA-N 2 1 290.426 3.739 20 0 CHADMP Cc1cc[nH+]c(NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000309796244 1120170853 /nfs/dbraw/zinc/17/08/53/1120170853.db2.gz IULDLMVXDCFJEI-IBGZPJMESA-N 2 1 295.430 3.714 20 0 CHADMP Cc1cc[nH+]c(NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000309796244 1120170856 /nfs/dbraw/zinc/17/08/56/1120170856.db2.gz IULDLMVXDCFJEI-IBGZPJMESA-N 2 1 295.430 3.714 20 0 CHADMP CC(C)(C)[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000314416156 1120197037 /nfs/dbraw/zinc/19/70/37/1120197037.db2.gz XHSTUBIJPLHCPP-SFHVURJKSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@@H]2CCc3ccccc32)CCN1C ZINC000659983249 1120322467 /nfs/dbraw/zinc/32/24/67/1120322467.db2.gz HVNZHPDTTAITJM-NJAFHUGGSA-N 2 1 286.463 3.521 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@@H]2CCc3ccccc32)CC[N@@H+]1C ZINC000659983249 1120322472 /nfs/dbraw/zinc/32/24/72/1120322472.db2.gz HVNZHPDTTAITJM-NJAFHUGGSA-N 2 1 286.463 3.521 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@@H]2CCc3ccccc32)CC[N@H+]1C ZINC000659983249 1120322476 /nfs/dbraw/zinc/32/24/76/1120322476.db2.gz HVNZHPDTTAITJM-NJAFHUGGSA-N 2 1 286.463 3.521 20 0 CHADMP C[C@@H]1C[C@@H]([N@H+](C)CC[C@@H]2CCc3ccccc32)CC[NH+]1C ZINC000659983249 1120322479 /nfs/dbraw/zinc/32/24/79/1120322479.db2.gz HVNZHPDTTAITJM-NJAFHUGGSA-N 2 1 286.463 3.521 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@@H]2CCc3ccccc32)CC[NH+]1C ZINC000659983249 1120322483 /nfs/dbraw/zinc/32/24/83/1120322483.db2.gz HVNZHPDTTAITJM-NJAFHUGGSA-N 2 1 286.463 3.521 20 0 CHADMP c1ccc2c(c1)[nH+]ccc2N1CCC[N@H+](C2CCCC2)CC1 ZINC000077994920 1120360838 /nfs/dbraw/zinc/36/08/38/1120360838.db2.gz IOJAFKQYUHSUIQ-UHFFFAOYSA-N 2 1 295.430 3.690 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC[C@@H]1CCc2ccccc21 ZINC000660119219 1120386848 /nfs/dbraw/zinc/38/68/48/1120386848.db2.gz ZFEFSBHQEDGIKK-SFHVURJKSA-N 2 1 297.446 3.634 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC[C@@H]1CCc2ccccc21 ZINC000660119219 1120386850 /nfs/dbraw/zinc/38/68/50/1120386850.db2.gz ZFEFSBHQEDGIKK-SFHVURJKSA-N 2 1 297.446 3.634 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000543064369 1120396725 /nfs/dbraw/zinc/39/67/25/1120396725.db2.gz VNBXRDNULYEPAC-IAGOWNOFSA-N 2 1 292.854 3.865 20 0 CHADMP CCC[N@@H+](Cc1cnc2ccc(C)cc2c1)C1CC[NH2+]CC1 ZINC000629517496 1128913928 /nfs/dbraw/zinc/91/39/28/1128913928.db2.gz SAUPDOJGZBMUGK-UHFFFAOYSA-N 2 1 297.446 3.507 20 0 CHADMP CCCC1(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000584669054 1120404107 /nfs/dbraw/zinc/40/41/07/1120404107.db2.gz FFUAFRDIYOHWGP-ROUUACIJSA-N 2 1 286.463 3.992 20 0 CHADMP CCCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000584669054 1120404112 /nfs/dbraw/zinc/40/41/12/1120404112.db2.gz FFUAFRDIYOHWGP-ROUUACIJSA-N 2 1 286.463 3.992 20 0 CHADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000629522454 1128914243 /nfs/dbraw/zinc/91/42/43/1128914243.db2.gz AHFFKRGFTGTSHM-SMDDNHRTSA-N 2 1 292.810 3.564 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000629542957 1128914592 /nfs/dbraw/zinc/91/45/92/1128914592.db2.gz PZMYMPCVKJSADA-QNWJLWSRSA-N 2 1 298.883 3.624 20 0 CHADMP CC[N@H+](CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1)C(C)C ZINC000417306516 1120422308 /nfs/dbraw/zinc/42/23/08/1120422308.db2.gz AJDMLHCGFZELOY-QLFBSQMISA-N 2 1 280.481 3.560 20 0 CHADMP CC[N@@H+](CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1)C(C)C ZINC000417306516 1120422310 /nfs/dbraw/zinc/42/23/10/1120422310.db2.gz AJDMLHCGFZELOY-QLFBSQMISA-N 2 1 280.481 3.560 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000417336393 1120429494 /nfs/dbraw/zinc/42/94/94/1120429494.db2.gz HWQFPYVZLFMLLV-YHUYYLMFSA-N 2 1 292.492 3.562 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc2ccccc21 ZINC000584772816 1120443284 /nfs/dbraw/zinc/44/32/84/1120443284.db2.gz IXFJJEVPKMKZRK-BEFAXECRSA-N 2 1 282.431 3.612 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc2ccccc21 ZINC000584772816 1120443286 /nfs/dbraw/zinc/44/32/86/1120443286.db2.gz IXFJJEVPKMKZRK-BEFAXECRSA-N 2 1 282.431 3.612 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc2ccccc21 ZINC000584772816 1120443289 /nfs/dbraw/zinc/44/32/89/1120443289.db2.gz IXFJJEVPKMKZRK-BEFAXECRSA-N 2 1 282.431 3.612 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc2ccccc21 ZINC000584772816 1120443290 /nfs/dbraw/zinc/44/32/90/1120443290.db2.gz IXFJJEVPKMKZRK-BEFAXECRSA-N 2 1 282.431 3.612 20 0 CHADMP Clc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119717197 1120480264 /nfs/dbraw/zinc/48/02/64/1120480264.db2.gz XNQNPFZLGWOELF-KRWDZBQOSA-N 2 1 290.838 3.544 20 0 CHADMP Cc1ccc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)cn1 ZINC000359126121 1120502012 /nfs/dbraw/zinc/50/20/12/1120502012.db2.gz WGERLVZXQONZQO-UHFFFAOYSA-N 2 1 289.467 3.524 20 0 CHADMP Cc1c[nH+]c(NCCC[N@H+]2CCCC[C@H]2C)c2[nH]ccc21 ZINC001167752104 1120542956 /nfs/dbraw/zinc/54/29/56/1120542956.db2.gz SBUSDZVQRPPDDW-CQSZACIVSA-N 2 1 286.423 3.548 20 0 CHADMP Cc1c[nH+]c(NCCC[N@@H+]2CCCC[C@H]2C)c2[nH]ccc21 ZINC001167752104 1120542960 /nfs/dbraw/zinc/54/29/60/1120542960.db2.gz SBUSDZVQRPPDDW-CQSZACIVSA-N 2 1 286.423 3.548 20 0 CHADMP C[C@H]1CCc2ccccc2[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000651491994 1120545605 /nfs/dbraw/zinc/54/56/05/1120545605.db2.gz FVTSBRICBUBYKG-KXBFYZLASA-N 2 1 286.463 3.774 20 0 CHADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc(Cl)c1 ZINC000019913153 1120548622 /nfs/dbraw/zinc/54/86/22/1120548622.db2.gz SIARLGJSUWODBC-CQSZACIVSA-N 2 1 280.843 3.694 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc(Cl)c1 ZINC000019913153 1120548625 /nfs/dbraw/zinc/54/86/25/1120548625.db2.gz SIARLGJSUWODBC-CQSZACIVSA-N 2 1 280.843 3.694 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000499945003 1120560086 /nfs/dbraw/zinc/56/00/86/1120560086.db2.gz KEHDJRGUERNZQR-CQSZACIVSA-N 2 1 280.843 3.819 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000499945003 1120560090 /nfs/dbraw/zinc/56/00/90/1120560090.db2.gz KEHDJRGUERNZQR-CQSZACIVSA-N 2 1 280.843 3.819 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000783262928 1120591000 /nfs/dbraw/zinc/59/10/00/1120591000.db2.gz FCTFAFHKSHUODU-JFRXWTBNSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C[C@@H]1C ZINC000398282427 1120600416 /nfs/dbraw/zinc/60/04/16/1120600416.db2.gz AOSKFGMNBSJQBL-MPDWGWIWSA-N 2 1 298.474 3.531 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C[C@@H]1C ZINC000398282427 1120600417 /nfs/dbraw/zinc/60/04/17/1120600417.db2.gz AOSKFGMNBSJQBL-MPDWGWIWSA-N 2 1 298.474 3.531 20 0 CHADMP CC[C@H](c1ccc(Cl)cc1)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000428996587 1120605732 /nfs/dbraw/zinc/60/57/32/1120605732.db2.gz DYIBECZQAMXDOK-IAGOWNOFSA-N 2 1 292.854 3.819 20 0 CHADMP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000428996587 1120605734 /nfs/dbraw/zinc/60/57/34/1120605734.db2.gz DYIBECZQAMXDOK-IAGOWNOFSA-N 2 1 292.854 3.819 20 0 CHADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000428996587 1120605736 /nfs/dbraw/zinc/60/57/36/1120605736.db2.gz DYIBECZQAMXDOK-IAGOWNOFSA-N 2 1 292.854 3.819 20 0 CHADMP CC[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000428996587 1120605739 /nfs/dbraw/zinc/60/57/39/1120605739.db2.gz DYIBECZQAMXDOK-IAGOWNOFSA-N 2 1 292.854 3.819 20 0 CHADMP CC[N@@H+](CCC1CC[NH+](CC[C@@H](C)F)CC1)CC(C)C ZINC000509036360 1120608745 /nfs/dbraw/zinc/60/87/45/1120608745.db2.gz XHAZULYMDRZEEF-MRXNPFEDSA-N 2 1 286.479 3.815 20 0 CHADMP Cc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c(C)o1 ZINC000020437972 1120621648 /nfs/dbraw/zinc/62/16/48/1120621648.db2.gz XQKYCXIUIXBMRL-ZFWWWQNUSA-N 2 1 278.440 3.812 20 0 CHADMP Cc1cc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c(C)o1 ZINC000020437972 1120621652 /nfs/dbraw/zinc/62/16/52/1120621652.db2.gz XQKYCXIUIXBMRL-ZFWWWQNUSA-N 2 1 278.440 3.812 20 0 CHADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429039540 1120625361 /nfs/dbraw/zinc/62/53/61/1120625361.db2.gz ILABLOHDDVEIDQ-JXFKEZNVSA-N 2 1 294.442 3.928 20 0 CHADMP C[C@@H](c1ccc2ccccc2c1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429039540 1120625363 /nfs/dbraw/zinc/62/53/63/1120625363.db2.gz ILABLOHDDVEIDQ-JXFKEZNVSA-N 2 1 294.442 3.928 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c3ccccc23)CC[N@H+]1C ZINC000631079574 1120633270 /nfs/dbraw/zinc/63/32/70/1120633270.db2.gz IJFZTIUDRHUQQT-UKRRQHHQSA-N 2 1 286.394 3.551 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc2ccccc21 ZINC000226327462 1120666859 /nfs/dbraw/zinc/66/68/59/1120666859.db2.gz PREAVEQNOPUMDS-UXLLHSPISA-N 2 1 282.431 3.973 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc2ccccc21 ZINC000226327462 1120666862 /nfs/dbraw/zinc/66/68/62/1120666862.db2.gz PREAVEQNOPUMDS-UXLLHSPISA-N 2 1 282.431 3.973 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@]1(C)Cc1ccccc1 ZINC000467238344 1120671782 /nfs/dbraw/zinc/67/17/82/1120671782.db2.gz MFDNUJBASFDWCF-RBUKOAKNSA-N 2 1 286.463 3.568 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000467238344 1120671784 /nfs/dbraw/zinc/67/17/84/1120671784.db2.gz MFDNUJBASFDWCF-RBUKOAKNSA-N 2 1 286.463 3.568 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000467238344 1120671786 /nfs/dbraw/zinc/67/17/86/1120671786.db2.gz MFDNUJBASFDWCF-RBUKOAKNSA-N 2 1 286.463 3.568 20 0 CHADMP C[C@H](CC[N@H+]1C[C@@H]2CCCC[C@@H]21)[NH+]1C[C@@H]2CCCC[C@@H]21 ZINC000660933785 1120704618 /nfs/dbraw/zinc/70/46/18/1120704618.db2.gz YIJZXIPBZJHRDV-FPSMNIFISA-N 2 1 276.468 3.514 20 0 CHADMP C[C@H](CC[NH+]1C[C@@H]2CCCC[C@@H]21)[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660933785 1120704621 /nfs/dbraw/zinc/70/46/21/1120704621.db2.gz YIJZXIPBZJHRDV-FPSMNIFISA-N 2 1 276.468 3.514 20 0 CHADMP C[C@H](CC[NH+]1C[C@@H]2CCCC[C@@H]21)[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660933785 1120704624 /nfs/dbraw/zinc/70/46/24/1120704624.db2.gz YIJZXIPBZJHRDV-FPSMNIFISA-N 2 1 276.468 3.514 20 0 CHADMP CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC000228078834 1120708416 /nfs/dbraw/zinc/70/84/16/1120708416.db2.gz DYUYWVZCMBWIJQ-IBGZPJMESA-N 2 1 286.463 3.776 20 0 CHADMP CC[C@]1(C)CCC[C@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000651720134 1120723999 /nfs/dbraw/zinc/72/39/99/1120723999.db2.gz RBORZMUSFUCZGI-HZPDHXFCSA-N 2 1 263.429 3.530 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c(C)c1 ZINC000228081393 1120761866 /nfs/dbraw/zinc/76/18/66/1120761866.db2.gz NQCFDCDLFOCIMX-IBGZPJMESA-N 2 1 286.463 3.577 20 0 CHADMP c1cc2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c2s1 ZINC000651863413 1120765549 /nfs/dbraw/zinc/76/55/49/1120765549.db2.gz IBWDLYSSTFUUCX-CVEARBPZSA-N 2 1 286.444 3.618 20 0 CHADMP CCCCCC[C@H](C)[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000228084024 1120769192 /nfs/dbraw/zinc/76/91/92/1120769192.db2.gz UXZSSOJIIDGSIK-DLBZAZTESA-N 2 1 266.473 3.811 20 0 CHADMP CC(C)C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000652154380 1120792446 /nfs/dbraw/zinc/79/24/46/1120792446.db2.gz DDHAOJHSKNJQGL-OLMNPRSZSA-N 2 1 292.442 3.985 20 0 CHADMP CC(C)C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000652154380 1120792448 /nfs/dbraw/zinc/79/24/48/1120792448.db2.gz DDHAOJHSKNJQGL-OLMNPRSZSA-N 2 1 292.442 3.985 20 0 CHADMP CCCC[C@H](CC)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248907931 1120880774 /nfs/dbraw/zinc/88/07/74/1120880774.db2.gz ZBJSZVQPNYXXNZ-HRCADAONSA-N 2 1 254.462 3.617 20 0 CHADMP CCCC[C@H](CC)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248907931 1120880776 /nfs/dbraw/zinc/88/07/76/1120880776.db2.gz ZBJSZVQPNYXXNZ-HRCADAONSA-N 2 1 254.462 3.617 20 0 CHADMP CC(C)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000054241270 1120854750 /nfs/dbraw/zinc/85/47/50/1120854750.db2.gz MCPRSQWOHOGIAC-RHSMWYFYSA-N 2 1 294.870 3.969 20 0 CHADMP CC(C)C1CCC([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000054556273 1120868479 /nfs/dbraw/zinc/86/84/79/1120868479.db2.gz MAPIALJFMLIOIN-GTPINHCMSA-N 2 1 266.473 3.521 20 0 CHADMP CCCC[C@H](CC)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000248907931 1120880768 /nfs/dbraw/zinc/88/07/68/1120880768.db2.gz ZBJSZVQPNYXXNZ-HRCADAONSA-N 2 1 254.462 3.617 20 0 CHADMP CCCC[C@H](CC)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000248907931 1120880770 /nfs/dbraw/zinc/88/07/70/1120880770.db2.gz ZBJSZVQPNYXXNZ-HRCADAONSA-N 2 1 254.462 3.617 20 0 CHADMP C[C@@H](CCC(C)(C)C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000388594827 1120886754 /nfs/dbraw/zinc/88/67/54/1120886754.db2.gz ZZCZKQXZQGFHCT-HNSVSWJLSA-N 2 1 266.473 3.806 20 0 CHADMP C[C@@H](CCC(C)(C)C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000388594827 1120886758 /nfs/dbraw/zinc/88/67/58/1120886758.db2.gz ZZCZKQXZQGFHCT-HNSVSWJLSA-N 2 1 266.473 3.806 20 0 CHADMP CC(C)(C)c1cccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000662235612 1120907858 /nfs/dbraw/zinc/90/78/58/1120907858.db2.gz RQAXBSOVOLZOIT-UHFFFAOYSA-N 2 1 286.463 3.701 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150801399 1120911509 /nfs/dbraw/zinc/91/15/09/1120911509.db2.gz VNGGTJUTJFIQBP-LSDHHAIUSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150801399 1120911512 /nfs/dbraw/zinc/91/15/12/1120911512.db2.gz VNGGTJUTJFIQBP-LSDHHAIUSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296529 1120921524 /nfs/dbraw/zinc/92/15/24/1120921524.db2.gz LRBHRUUGSDBYJD-YOEHRIQHSA-N 2 1 290.426 3.598 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2sc(CC)nc2C)CC1 ZINC000161590799 1120923068 /nfs/dbraw/zinc/92/30/68/1120923068.db2.gz WSXBOTKFMDXSAJ-LBPRGKRZSA-N 2 1 295.496 3.539 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCCC(F)(F)F)[C@@H]1CCC[NH3+] ZINC000662314084 1120924986 /nfs/dbraw/zinc/92/49/86/1120924986.db2.gz BRXALVGBNOEANZ-CHWSQXEVSA-N 2 1 280.378 3.558 20 0 CHADMP CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccc(C)cc1 ZINC000221910967 1120934090 /nfs/dbraw/zinc/93/40/90/1120934090.db2.gz DMXTYYQUXUQNGG-KRWDZBQOSA-N 2 1 262.441 3.766 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1F ZINC000663344252 1120940652 /nfs/dbraw/zinc/94/06/52/1120940652.db2.gz QCKYECVQPOJLFF-HOCLYGCPSA-N 2 1 290.426 3.598 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1F ZINC000663344252 1120940656 /nfs/dbraw/zinc/94/06/56/1120940656.db2.gz QCKYECVQPOJLFF-HOCLYGCPSA-N 2 1 290.426 3.598 20 0 CHADMP Cc1ccc(C)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663346650 1120942015 /nfs/dbraw/zinc/94/20/15/1120942015.db2.gz BUUDTROZOITFEA-GOSISDBHSA-N 2 1 286.463 3.515 20 0 CHADMP C([NH2+][C@@H](C1CC1)C1CCCC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663464999 1120979959 /nfs/dbraw/zinc/97/99/59/1120979959.db2.gz HWILUSWABPLYKU-VQIMIIECSA-N 2 1 290.495 3.667 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)oc1C ZINC000663463726 1120980040 /nfs/dbraw/zinc/98/00/40/1120980040.db2.gz BEQDXOZVALQXPB-RHSMWYFYSA-N 2 1 290.451 3.669 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)oc1C ZINC000663463726 1120980046 /nfs/dbraw/zinc/98/00/46/1120980046.db2.gz BEQDXOZVALQXPB-RHSMWYFYSA-N 2 1 290.451 3.669 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663468590 1120984043 /nfs/dbraw/zinc/98/40/43/1120984043.db2.gz MJTMUTNCVKQYOE-AEFFLSMTSA-N 2 1 286.463 3.768 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)CC2 ZINC000663471400 1120984515 /nfs/dbraw/zinc/98/45/15/1120984515.db2.gz XQQBIYBQLRJLMK-XLIONFOSSA-N 2 1 298.474 3.694 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccs1 ZINC000663469938 1120984814 /nfs/dbraw/zinc/98/48/14/1120984814.db2.gz RTRHVCPWJAATJV-DZGCQCFKSA-N 2 1 278.465 3.521 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](C)[C@@H]1C ZINC001167823990 1120995273 /nfs/dbraw/zinc/99/52/73/1120995273.db2.gz APMXQUXPFWKAJN-JYJNAYRXSA-N 2 1 254.462 3.617 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](C)C[C@@H]1C ZINC001167824679 1120997814 /nfs/dbraw/zinc/99/78/14/1120997814.db2.gz FEEULBJOIWSSAK-JYJNAYRXSA-N 2 1 254.462 3.617 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCc2ccccc2C1 ZINC001167826182 1121000849 /nfs/dbraw/zinc/00/08/49/1121000849.db2.gz ODXYNLXWUYDTBN-QGZVFWFLSA-N 2 1 288.479 3.945 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H]1c1ccccn1 ZINC001167827914 1121005504 /nfs/dbraw/zinc/00/55/04/1121005504.db2.gz ZLFQQNQZAJFFFT-WMZOPIPTSA-N 2 1 289.467 3.729 20 0 CHADMP C[C@H]([NH3+])C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000643529306 1121008081 /nfs/dbraw/zinc/00/80/81/1121008081.db2.gz YIMBEZMYEKWBLM-SUMWQHHRSA-N 2 1 288.822 3.561 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1cccc(F)c1F ZINC001167840757 1121052399 /nfs/dbraw/zinc/05/23/99/1121052399.db2.gz ILWXJVUPWWRNSR-AWEZNQCLSA-N 2 1 298.421 3.907 20 0 CHADMP c1ccc([C@H](CC2CCC2)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000344031201 1121057634 /nfs/dbraw/zinc/05/76/34/1121057634.db2.gz GLXGFFQXZHOLRG-PXNSSMCTSA-N 2 1 298.474 3.992 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CC2(C)CCC2)cc1F ZINC000434756050 1121167481 /nfs/dbraw/zinc/16/74/81/1121167481.db2.gz BPFMAEABTKIQRT-UHFFFAOYSA-N 2 1 287.382 3.600 20 0 CHADMP C[N@@H+]1CCC[C@@H](C[NH2+]CC2(C)CCC2)[C@H]1c1cccs1 ZINC000434765643 1121169724 /nfs/dbraw/zinc/16/97/24/1121169724.db2.gz RDGLKEXAGAPKRF-HOCLYGCPSA-N 2 1 292.492 3.911 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH2+]CC2(C)CCC2)[C@H]1c1cccs1 ZINC000434765643 1121169729 /nfs/dbraw/zinc/16/97/29/1121169729.db2.gz RDGLKEXAGAPKRF-HOCLYGCPSA-N 2 1 292.492 3.911 20 0 CHADMP C[C@@H](c1ccccc1Cl)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000062018671 1121185916 /nfs/dbraw/zinc/18/59/16/1121185916.db2.gz CQKMXYCQBCKHSX-ZDUSSCGKSA-N 2 1 280.843 3.723 20 0 CHADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000658233355 1121238903 /nfs/dbraw/zinc/23/89/03/1121238903.db2.gz KKAHQCKYJJOWOM-IYWMVGAKSA-N 2 1 298.474 3.960 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CCN(C/C=C/c2ccc(F)cc2)C1 ZINC000093742301 1128972439 /nfs/dbraw/zinc/97/24/39/1128972439.db2.gz SDAZFFDPOCSBAA-BDUNBXCCSA-N 2 1 290.426 3.503 20 0 CHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C/C=C/c2ccc(F)cc2)C1 ZINC000093742301 1128972443 /nfs/dbraw/zinc/97/24/43/1128972443.db2.gz SDAZFFDPOCSBAA-BDUNBXCCSA-N 2 1 290.426 3.503 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C/c2ccc(F)cc2)C1 ZINC000093742301 1128972446 /nfs/dbraw/zinc/97/24/46/1128972446.db2.gz SDAZFFDPOCSBAA-BDUNBXCCSA-N 2 1 290.426 3.503 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000093742301 1128972449 /nfs/dbraw/zinc/97/24/49/1128972449.db2.gz SDAZFFDPOCSBAA-BDUNBXCCSA-N 2 1 290.426 3.503 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000093742301 1128972453 /nfs/dbraw/zinc/97/24/53/1128972453.db2.gz SDAZFFDPOCSBAA-BDUNBXCCSA-N 2 1 290.426 3.503 20 0 CHADMP C[C@@H](C[NH2+]Cc1cc(Cl)cs1)C[NH+]1CCCCC1 ZINC000093094844 1121330173 /nfs/dbraw/zinc/33/01/73/1121330173.db2.gz TZSVEZYBLGRCDL-LBPRGKRZSA-N 2 1 286.872 3.613 20 0 CHADMP Cc1cn(Cc2cccc(C[NH+]3CCCCC3)c2)c(C)[nH+]1 ZINC000631013735 1128978522 /nfs/dbraw/zinc/97/85/22/1128978522.db2.gz WMYPEIIWGQPXNK-UHFFFAOYSA-N 2 1 283.419 3.534 20 0 CHADMP Cc1occc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000675779717 1121355457 /nfs/dbraw/zinc/35/54/57/1121355457.db2.gz PGEDAYHSCCEISW-KSSFIOAISA-N 2 1 290.451 3.721 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000675786799 1121363214 /nfs/dbraw/zinc/36/32/14/1121363214.db2.gz DNNHNFPYKQVMGE-WMZOPIPTSA-N 2 1 288.479 3.923 20 0 CHADMP CC[C@@H](C[N@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000432816119 1121378855 /nfs/dbraw/zinc/37/88/55/1121378855.db2.gz NDSJZXAKLCRLQQ-WMZOPIPTSA-N 2 1 274.452 3.596 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCC2CC2)C3)cc1 ZINC000245741336 1121418821 /nfs/dbraw/zinc/41/88/21/1121418821.db2.gz RQNQUXAHMFSRTC-REPLKXPHSA-N 2 1 284.447 3.572 20 0 CHADMP Cc1cccc([C@@H](C)[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1 ZINC001175767631 1121459673 /nfs/dbraw/zinc/45/96/73/1121459673.db2.gz JGESLLOCYMURTA-IAGOWNOFSA-N 2 1 295.430 3.662 20 0 CHADMP C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CCCCCC[NH3+] ZINC000710684294 1121474408 /nfs/dbraw/zinc/47/44/08/1121474408.db2.gz ZUYPQHIGPYIGNJ-ZDUSSCGKSA-N 2 1 291.464 3.808 20 0 CHADMP C[N@@H+](CCCCCC[NH3+])Cc1ccccc1C(F)(F)F ZINC000710695197 1121474648 /nfs/dbraw/zinc/47/46/48/1121474648.db2.gz RNHUXACHZGLJTE-UHFFFAOYSA-N 2 1 288.357 3.656 20 0 CHADMP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246410522 1121498910 /nfs/dbraw/zinc/49/89/10/1121498910.db2.gz RRKINSLUGLEDAX-XJKSGUPXSA-N 2 1 280.843 3.675 20 0 CHADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246410522 1121498916 /nfs/dbraw/zinc/49/89/16/1121498916.db2.gz RRKINSLUGLEDAX-XJKSGUPXSA-N 2 1 280.843 3.675 20 0 CHADMP CC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000512632101 1121500069 /nfs/dbraw/zinc/50/00/69/1121500069.db2.gz WZFPPCMYKDZNHK-GBESFXJTSA-N 2 1 298.474 3.677 20 0 CHADMP CCc1ccc([C@@H]2CC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)cc1 ZINC000433084813 1121559401 /nfs/dbraw/zinc/55/94/01/1121559401.db2.gz UPLGJZZESWMHFW-MOPGFXCFSA-N 2 1 286.463 3.523 20 0 CHADMP CCc1ccc([C@@H]2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC000433084813 1121559409 /nfs/dbraw/zinc/55/94/09/1121559409.db2.gz UPLGJZZESWMHFW-MOPGFXCFSA-N 2 1 286.463 3.523 20 0 CHADMP CCc1ccc([C@@H]2CC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC000433084813 1121559416 /nfs/dbraw/zinc/55/94/16/1121559416.db2.gz UPLGJZZESWMHFW-MOPGFXCFSA-N 2 1 286.463 3.523 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C1CCC1)C1CCCC1 ZINC000711840595 1121580401 /nfs/dbraw/zinc/58/04/01/1121580401.db2.gz OEPFXSPEOFYPRJ-QGZVFWFLSA-N 2 1 275.440 3.530 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000320765943 1121610600 /nfs/dbraw/zinc/61/06/00/1121610600.db2.gz WGHQTVWBNHZCLO-NXHRZFHOSA-N 2 1 294.442 3.832 20 0 CHADMP Cc1c2ccccc2oc1[C@@H](C)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000152698580 1128998721 /nfs/dbraw/zinc/99/87/21/1128998721.db2.gz NDXGJIUBILMXAA-YUELXQCFSA-N 2 1 286.419 3.875 20 0 CHADMP Cc1c2ccccc2oc1[C@@H](C)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000152698580 1128998723 /nfs/dbraw/zinc/99/87/23/1128998723.db2.gz NDXGJIUBILMXAA-YUELXQCFSA-N 2 1 286.419 3.875 20 0 CHADMP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000161604822 1121644043 /nfs/dbraw/zinc/64/40/43/1121644043.db2.gz OCRXCISDEHHVNM-GUDVDZBRSA-N 2 1 286.463 3.614 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](c2ccccc2)CC1(C)C ZINC001176655270 1121677082 /nfs/dbraw/zinc/67/70/82/1121677082.db2.gz GHYYYTYSMHCPAT-GOSISDBHSA-N 2 1 297.446 3.850 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](c2ccccc2)CC1(C)C ZINC001176655270 1121677089 /nfs/dbraw/zinc/67/70/89/1121677089.db2.gz GHYYYTYSMHCPAT-GOSISDBHSA-N 2 1 297.446 3.850 20 0 CHADMP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)CC1CCC1 ZINC001176771781 1121694437 /nfs/dbraw/zinc/69/44/37/1121694437.db2.gz VJSNCKQBKHMEGE-UHFFFAOYSA-N 2 1 286.463 3.904 20 0 CHADMP CCC1([NH+](C)C)CCN(c2[nH+]ccc3ccc(C)cc32)CC1 ZINC000631490949 1129004044 /nfs/dbraw/zinc/00/40/44/1129004044.db2.gz ADZOFHFQOHNUCA-UHFFFAOYSA-N 2 1 297.446 3.854 20 0 CHADMP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCC[C@@H](OC)CC1)CC(C)C ZINC001177209259 1121716374 /nfs/dbraw/zinc/71/63/74/1121716374.db2.gz KQPHMGMLVRTLBL-OKZBNKHCSA-N 2 1 298.515 3.680 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@@H+](CCCc2ccc(Cl)cc2)CC1 ZINC001206296418 1121717608 /nfs/dbraw/zinc/71/76/08/1121717608.db2.gz SSJJUUAKSUEYTC-KRWDZBQOSA-N 2 1 294.870 3.724 20 0 CHADMP Cc1cc(C)c(/C=C\C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC001177226680 1121719613 /nfs/dbraw/zinc/71/96/13/1121719613.db2.gz VKEUIPLXUFVTPL-XDXAGZTOSA-N 2 1 298.474 3.699 20 0 CHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccoc1 ZINC000727466199 1121721233 /nfs/dbraw/zinc/72/12/33/1121721233.db2.gz ZAZJZKVNGDVKJL-MRXNPFEDSA-N 2 1 298.430 3.944 20 0 CHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccoc1 ZINC000727466199 1121721238 /nfs/dbraw/zinc/72/12/38/1121721238.db2.gz ZAZJZKVNGDVKJL-MRXNPFEDSA-N 2 1 298.430 3.944 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC001177541818 1121737687 /nfs/dbraw/zinc/73/76/87/1121737687.db2.gz FBAHKKPCLBBWTN-JYJNAYRXSA-N 2 1 266.473 3.523 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727470 1121738993 /nfs/dbraw/zinc/73/89/93/1121738993.db2.gz AKHSGWFJCKGKSJ-ARJAWSKDSA-N 2 1 278.484 3.979 20 0 CHADMP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC001204940096 1121763201 /nfs/dbraw/zinc/76/32/01/1121763201.db2.gz VNTWGSCOONTSMS-IBGZPJMESA-N 2 1 280.415 3.667 20 0 CHADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC001204940096 1121763208 /nfs/dbraw/zinc/76/32/08/1121763208.db2.gz VNTWGSCOONTSMS-IBGZPJMESA-N 2 1 280.415 3.667 20 0 CHADMP Cc1cc(F)cc(Cl)c1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206338290 1121804973 /nfs/dbraw/zinc/80/49/73/1121804973.db2.gz YYRZJTDXDXOVBF-INIZCTEOSA-N 2 1 298.833 3.738 20 0 CHADMP C/C(=C\c1ccccc1)C[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC001178972005 1121835225 /nfs/dbraw/zinc/83/52/25/1121835225.db2.gz NTCTXTVBQFXQMG-DTQAZKPQSA-N 2 1 272.436 3.554 20 0 CHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc(F)cc(F)c2)CC1 ZINC001204234709 1121838051 /nfs/dbraw/zinc/83/80/51/1121838051.db2.gz WNRADQVPEWJRDP-UHFFFAOYSA-N 2 1 296.405 3.517 20 0 CHADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001179082404 1121847404 /nfs/dbraw/zinc/84/74/04/1121847404.db2.gz YKLQSDLWBKFCHM-UHFFFAOYSA-N 2 1 286.822 3.547 20 0 CHADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001179082404 1121847414 /nfs/dbraw/zinc/84/74/14/1121847414.db2.gz YKLQSDLWBKFCHM-UHFFFAOYSA-N 2 1 286.822 3.547 20 0 CHADMP CCC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cc(C)ccn1 ZINC000631636309 1129015883 /nfs/dbraw/zinc/01/58/83/1129015883.db2.gz CFXBUKGPQYSKBP-SJORKVTESA-N 2 1 289.467 3.553 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2csc(C)c2C)C1 ZINC001179854209 1121917249 /nfs/dbraw/zinc/91/72/49/1121917249.db2.gz DBPRBQLVINJMSK-OAHLLOKOSA-N 2 1 280.481 3.529 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2csc(C)c2C)C1 ZINC001179854209 1121917254 /nfs/dbraw/zinc/91/72/54/1121917254.db2.gz DBPRBQLVINJMSK-OAHLLOKOSA-N 2 1 280.481 3.529 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2csc(C)c2C)C1 ZINC001179854209 1121917262 /nfs/dbraw/zinc/91/72/62/1121917262.db2.gz DBPRBQLVINJMSK-OAHLLOKOSA-N 2 1 280.481 3.529 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC001179905862 1121929772 /nfs/dbraw/zinc/92/97/72/1121929772.db2.gz OHEHIQBYFXWNOJ-BSDSXHPESA-N 2 1 280.500 3.865 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC001179905862 1121929779 /nfs/dbraw/zinc/92/97/79/1121929779.db2.gz OHEHIQBYFXWNOJ-BSDSXHPESA-N 2 1 280.500 3.865 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001179905862 1121929787 /nfs/dbraw/zinc/92/97/87/1121929787.db2.gz OHEHIQBYFXWNOJ-BSDSXHPESA-N 2 1 280.500 3.865 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc2ccccc21 ZINC000501086769 1121951511 /nfs/dbraw/zinc/95/15/11/1121951511.db2.gz DSIMDVQKMJTAMP-UHFFFAOYSA-N 2 1 270.420 3.613 20 0 CHADMP Cc1cccc2[nH]c(CN(C)CC[C@@H]3CCCC[N@H+]3C)cc21 ZINC001180099128 1121952605 /nfs/dbraw/zinc/95/26/05/1121952605.db2.gz URPBQRNJEPLPHX-KRWDZBQOSA-N 2 1 299.462 3.783 20 0 CHADMP Cc1cccc2[nH]c(C[N@H+](C)CC[C@@H]3CCCC[NH+]3C)cc21 ZINC001180099128 1121952610 /nfs/dbraw/zinc/95/26/10/1121952610.db2.gz URPBQRNJEPLPHX-KRWDZBQOSA-N 2 1 299.462 3.783 20 0 CHADMP Cc1cccc2[nH]c(C[N@@H+](C)CC[C@@H]3CCCC[NH+]3C)cc21 ZINC001180099128 1121952617 /nfs/dbraw/zinc/95/26/17/1121952617.db2.gz URPBQRNJEPLPHX-KRWDZBQOSA-N 2 1 299.462 3.783 20 0 CHADMP Cc1cccc2[nH]c(C[NH+](C)CC[C@@H]3CCCC[N@@H+]3C)cc21 ZINC001180099128 1121952622 /nfs/dbraw/zinc/95/26/22/1121952622.db2.gz URPBQRNJEPLPHX-KRWDZBQOSA-N 2 1 299.462 3.783 20 0 CHADMP Cc1cccc2[nH]c(C[NH+](C)CC[C@@H]3CCCC[N@H+]3C)cc21 ZINC001180099128 1121952630 /nfs/dbraw/zinc/95/26/30/1121952630.db2.gz URPBQRNJEPLPHX-KRWDZBQOSA-N 2 1 299.462 3.783 20 0 CHADMP CC(C)OC[C@H](C)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000501442350 1121978841 /nfs/dbraw/zinc/97/88/41/1121978841.db2.gz IXRADORQMIHSFZ-JKSUJKDBSA-N 2 1 292.467 3.519 20 0 CHADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1-c1ccccc1 ZINC000420297424 1121995295 /nfs/dbraw/zinc/99/52/95/1121995295.db2.gz DIJVRPHIWVVVTL-QGZVFWFLSA-N 2 1 294.442 3.785 20 0 CHADMP CC[N@@H+](Cc1cccc(C(F)F)c1)[C@H]1CCC[NH2+]CC1 ZINC000420303719 1121996977 /nfs/dbraw/zinc/99/69/77/1121996977.db2.gz DAZALAYLUMXSCF-HNNXBMFYSA-N 2 1 282.378 3.588 20 0 CHADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1cccc(Cl)c1 ZINC000420302299 1121998242 /nfs/dbraw/zinc/99/82/42/1121998242.db2.gz JNLVAIHDJHQHTO-CQSZACIVSA-N 2 1 280.843 3.552 20 0 CHADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@H](C)c1cc2ccccc2o1 ZINC000420323986 1121999963 /nfs/dbraw/zinc/99/99/63/1121999963.db2.gz UWFVYBZRQJKSCL-CABCVRRESA-N 2 1 286.419 3.815 20 0 CHADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(Cl)s1 ZINC000420319993 1122000231 /nfs/dbraw/zinc/00/02/31/1122000231.db2.gz PVHANFQQGQTYAI-LBPRGKRZSA-N 2 1 286.872 3.613 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420314582 1122000243 /nfs/dbraw/zinc/00/02/43/1122000243.db2.gz ZBMNERCXZCBLCG-IIDMSEBBSA-N 2 1 290.426 3.598 20 0 CHADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc2ccccc2c1 ZINC000420322293 1122000310 /nfs/dbraw/zinc/00/03/10/1122000310.db2.gz SKIMKZTZYMNBIY-INIZCTEOSA-N 2 1 282.431 3.661 20 0 CHADMP [NH3+]C[C@H]([NH2+]Cc1cccc(C(F)F)c1)C1CCCCC1 ZINC000420375644 1122004812 /nfs/dbraw/zinc/00/48/12/1122004812.db2.gz UAQSKKMMNFIICC-HNNXBMFYSA-N 2 1 282.378 3.621 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)[C@H]1CC2CCC1CC2 ZINC001181410977 1122051717 /nfs/dbraw/zinc/05/17/17/1122051717.db2.gz VPMVNHLGISJJTQ-RNONSGAXSA-N 2 1 266.473 3.521 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H]1C(C)=CCC[C@H]1C ZINC001181514771 1122059565 /nfs/dbraw/zinc/05/95/65/1122059565.db2.gz OEUZBNTVNCBOKM-IAGOWNOFSA-N 2 1 266.473 3.643 20 0 CHADMP CC[N@@H+](CCC[NH+]1CCCC1)CCC1CCCCC1 ZINC001181506307 1122060810 /nfs/dbraw/zinc/06/08/10/1122060810.db2.gz PKVKYEPAFQMLBX-UHFFFAOYSA-N 2 1 266.473 3.765 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](c2ccccc2)C1(C)C ZINC000421030089 1122062303 /nfs/dbraw/zinc/06/23/03/1122062303.db2.gz YDIYDZNLZNNDTN-GOSISDBHSA-N 2 1 297.446 3.850 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](c2ccccc2)C1(C)C ZINC000421030089 1122062312 /nfs/dbraw/zinc/06/23/12/1122062312.db2.gz YDIYDZNLZNNDTN-GOSISDBHSA-N 2 1 297.446 3.850 20 0 CHADMP FC(F)C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000421375528 1122104022 /nfs/dbraw/zinc/10/40/22/1122104022.db2.gz QFNNJOHWBJTADC-PMPSAXMXSA-N 2 1 294.389 3.599 20 0 CHADMP FC(F)C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000421375528 1122104024 /nfs/dbraw/zinc/10/40/24/1122104024.db2.gz QFNNJOHWBJTADC-PMPSAXMXSA-N 2 1 294.389 3.599 20 0 CHADMP C[C@H](C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC001182251103 1122124331 /nfs/dbraw/zinc/12/43/31/1122124331.db2.gz MEBWBBJNQKZXNX-HZPDHXFCSA-N 2 1 266.473 3.524 20 0 CHADMP CC[C@@H](c1ccccc1)[N@@H+](CC)CC[C@H]1CCC[NH+]1C ZINC000502688984 1122133905 /nfs/dbraw/zinc/13/39/05/1122133905.db2.gz DTLRJOSQENIXLP-MSOLQXFVSA-N 2 1 274.452 3.944 20 0 CHADMP CC[C@@H](c1ccccc1)[NH+](CC)CC[C@H]1CCC[N@@H+]1C ZINC000502688984 1122133909 /nfs/dbraw/zinc/13/39/09/1122133909.db2.gz DTLRJOSQENIXLP-MSOLQXFVSA-N 2 1 274.452 3.944 20 0 CHADMP CC[C@@H](c1ccccc1)[NH+](CC)CC[C@H]1CCC[N@H+]1C ZINC000502688984 1122133914 /nfs/dbraw/zinc/13/39/14/1122133914.db2.gz DTLRJOSQENIXLP-MSOLQXFVSA-N 2 1 274.452 3.944 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)oc1C ZINC000502685959 1122136644 /nfs/dbraw/zinc/13/66/44/1122136644.db2.gz IBEJWPKNZUTBFR-GFCCVEGCSA-N 2 1 278.440 3.856 20 0 CHADMP Cc1cc([C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)oc1C ZINC000502724718 1122143937 /nfs/dbraw/zinc/14/39/37/1122143937.db2.gz FWEIBLAWPPSVOO-CZUORRHYSA-N 2 1 280.456 3.913 20 0 CHADMP C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000502868970 1122153119 /nfs/dbraw/zinc/15/31/19/1122153119.db2.gz VITPVNDJBZDSID-VKJFTORMSA-N 2 1 290.426 3.693 20 0 CHADMP C[C@@H]1C[C@@H](c2ccccc2F)[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000502868970 1122153123 /nfs/dbraw/zinc/15/31/23/1122153123.db2.gz VITPVNDJBZDSID-VKJFTORMSA-N 2 1 290.426 3.693 20 0 CHADMP C[C@@H]1C[C@@H](c2ccccc2F)[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000502868970 1122153127 /nfs/dbraw/zinc/15/31/27/1122153127.db2.gz VITPVNDJBZDSID-VKJFTORMSA-N 2 1 290.426 3.693 20 0 CHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)CC1CCCC1 ZINC001182712530 1122184742 /nfs/dbraw/zinc/18/47/42/1122184742.db2.gz AZYBFRGBPWTRAP-HNNXBMFYSA-N 2 1 254.462 3.523 20 0 CHADMP CCCc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001206555997 1122203692 /nfs/dbraw/zinc/20/36/92/1122203692.db2.gz MAIUJEFFXMSTNH-SFHVURJKSA-N 2 1 274.452 3.590 20 0 CHADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC001183093438 1122206183 /nfs/dbraw/zinc/20/61/83/1122206183.db2.gz BQEAZAXEKJYOIP-CYGHRXIMSA-N 2 1 278.484 3.523 20 0 CHADMP C[C@@H]([NH2+]Cc1ccccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272732372 1122211767 /nfs/dbraw/zinc/21/17/67/1122211767.db2.gz ZZGAKUIVPSYQEY-GDBMZVCRSA-N 2 1 290.426 3.568 20 0 CHADMP C[C@@H]([NH2+]Cc1ccccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272732372 1122211774 /nfs/dbraw/zinc/21/17/74/1122211774.db2.gz ZZGAKUIVPSYQEY-GDBMZVCRSA-N 2 1 290.426 3.568 20 0 CHADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc3[nH]cc(Cl)c32)CC1 ZINC001205265155 1122220601 /nfs/dbraw/zinc/22/06/01/1122220601.db2.gz NYYBSERXTXXRRW-INIZCTEOSA-N 2 1 291.826 3.525 20 0 CHADMP C[C@@H](CC1CCC1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001183379255 1122221947 /nfs/dbraw/zinc/22/19/47/1122221947.db2.gz LCYYOZQAPRMEIS-MAUKXSAKSA-N 2 1 278.484 3.952 20 0 CHADMP C[C@@H](CC1CCC1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001183379255 1122221952 /nfs/dbraw/zinc/22/19/52/1122221952.db2.gz LCYYOZQAPRMEIS-MAUKXSAKSA-N 2 1 278.484 3.952 20 0 CHADMP CSc1ccc(Cl)cc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205296780 1122275572 /nfs/dbraw/zinc/27/55/72/1122275572.db2.gz UGWPQXKLQOKZMN-HNNXBMFYSA-N 2 1 298.883 3.765 20 0 CHADMP CSc1ccc(Cl)cc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205296780 1122275577 /nfs/dbraw/zinc/27/55/77/1122275577.db2.gz UGWPQXKLQOKZMN-HNNXBMFYSA-N 2 1 298.883 3.765 20 0 CHADMP C[C@H]([NH2+]Cc1ccc(C2CCC2)cc1)c1c[nH+]ccc1N ZINC000423080914 1122275776 /nfs/dbraw/zinc/27/57/76/1122275776.db2.gz UAAXHYGTCMTHAM-ZDUSSCGKSA-N 2 1 281.403 3.612 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](C)c3c2cccc3C)C1 ZINC000504895199 1122309540 /nfs/dbraw/zinc/30/95/40/1122309540.db2.gz RMHDKDKTGVHYFW-NUJGCVRESA-N 2 1 286.463 3.865 20 0 CHADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(C3CC3)cc1)CC[NH2+]CC2 ZINC000424385708 1122309807 /nfs/dbraw/zinc/30/98/07/1122309807.db2.gz WKNBFLCLOOBGOG-HNNXBMFYSA-N 2 1 284.447 3.528 20 0 CHADMP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CCC[N@H+](C)C(C)C ZINC000504927251 1122311728 /nfs/dbraw/zinc/31/17/28/1122311728.db2.gz OAWCXXWLDONYLX-DOTOQJQBSA-N 2 1 274.452 3.863 20 0 CHADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000435382474 1122462401 /nfs/dbraw/zinc/46/24/01/1122462401.db2.gz DDYXWWLZPGYXNX-ZBFHGGJFSA-N 2 1 284.403 3.506 20 0 CHADMP CC(C)[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(F)ccc1F ZINC000515410617 1122497525 /nfs/dbraw/zinc/49/75/25/1122497525.db2.gz DCFZLGHLPHBQJK-CXAGYDPISA-N 2 1 296.405 3.593 20 0 CHADMP CC(C)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(F)ccc1F ZINC000515410617 1122497528 /nfs/dbraw/zinc/49/75/28/1122497528.db2.gz DCFZLGHLPHBQJK-CXAGYDPISA-N 2 1 296.405 3.593 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C[C@@H]1c1ccccc1 ZINC000414172871 1129061992 /nfs/dbraw/zinc/06/19/92/1129061992.db2.gz FQUDDINMNYXRLG-HVMFNXBNSA-N 2 1 284.447 3.600 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C[C@@H]1c1ccccc1 ZINC000414172871 1129061996 /nfs/dbraw/zinc/06/19/96/1129061996.db2.gz FQUDDINMNYXRLG-HVMFNXBNSA-N 2 1 284.447 3.600 20 0 CHADMP C[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)CC(C)(C)C ZINC001191070317 1122568021 /nfs/dbraw/zinc/56/80/21/1122568021.db2.gz KNKPQHFHGSOPHW-DLBZAZTESA-N 2 1 280.500 3.867 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1csc2ccccc12 ZINC000925011498 1122576885 /nfs/dbraw/zinc/57/68/85/1122576885.db2.gz QJLOHXYUSBFZAZ-UONOGXRCSA-N 2 1 288.460 3.894 20 0 CHADMP CC(C)Cc1ccccc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC001191176408 1122583642 /nfs/dbraw/zinc/58/36/42/1122583642.db2.gz XPTXTMPYGYPIAC-KRWDZBQOSA-N 2 1 288.479 3.659 20 0 CHADMP CC(C)Cc1ccccc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC001191176408 1122583644 /nfs/dbraw/zinc/58/36/44/1122583644.db2.gz XPTXTMPYGYPIAC-KRWDZBQOSA-N 2 1 288.479 3.659 20 0 CHADMP CC(C)Cc1ccccc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC001191176408 1122583648 /nfs/dbraw/zinc/58/36/48/1122583648.db2.gz XPTXTMPYGYPIAC-KRWDZBQOSA-N 2 1 288.479 3.659 20 0 CHADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CCCCC2(C)C)CC1 ZINC001191408821 1122597789 /nfs/dbraw/zinc/59/77/89/1122597789.db2.gz QJAOCNFSFCTYSY-OAHLLOKOSA-N 2 1 266.473 3.619 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CCCCC2(C)C)CC1 ZINC001191408821 1122597793 /nfs/dbraw/zinc/59/77/93/1122597793.db2.gz QJAOCNFSFCTYSY-OAHLLOKOSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc[nH]1 ZINC000775524309 1122640889 /nfs/dbraw/zinc/64/08/89/1122640889.db2.gz FLZRKXRPWHXYKG-XYJFISCASA-N 2 1 297.446 3.576 20 0 CHADMP C[C@H](Cc1ccccc1F)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000438085964 1122674799 /nfs/dbraw/zinc/67/47/99/1122674799.db2.gz FUVGOYSVHZJWOK-OAHLLOKOSA-N 2 1 292.442 3.611 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000438086536 1122674975 /nfs/dbraw/zinc/67/49/75/1122674975.db2.gz HVZVXTAOQFPZIN-NMLBUPMWSA-N 2 1 298.474 3.713 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000438086536 1122674980 /nfs/dbraw/zinc/67/49/80/1122674980.db2.gz HVZVXTAOQFPZIN-NMLBUPMWSA-N 2 1 298.474 3.713 20 0 CHADMP CC(C)Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001205638934 1122707333 /nfs/dbraw/zinc/70/73/33/1122707333.db2.gz TURGWBMYIIAPPY-QFBILLFUSA-N 2 1 288.479 3.692 20 0 CHADMP Cc1ccc2cc([C@@H](C)[NH2+]CC3=CC[N@@H+](C)CC3)oc2c1 ZINC000426061617 1122710578 /nfs/dbraw/zinc/71/05/78/1122710578.db2.gz KTFQWMLZSFJONH-CQSZACIVSA-N 2 1 284.403 3.654 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2ccc3cccccc2-3)CC[C@@H]1C[NH3+] ZINC001205651654 1122742853 /nfs/dbraw/zinc/74/28/53/1122742853.db2.gz HXLIGTGMZIYOBA-NVXWUHKLSA-N 2 1 282.431 3.598 20 0 CHADMP CSc1cc(C)cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205652484 1122748999 /nfs/dbraw/zinc/74/89/99/1122748999.db2.gz PRVMGHYWOPKPIB-GOEBONIOSA-N 2 1 292.492 3.524 20 0 CHADMP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000426317979 1122761273 /nfs/dbraw/zinc/76/12/73/1122761273.db2.gz PDFDVAOHQJCFRO-IAGOWNOFSA-N 2 1 288.479 3.653 20 0 CHADMP Cc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000426315097 1122762902 /nfs/dbraw/zinc/76/29/02/1122762902.db2.gz ZYSAXDLKZMXQFS-WMZOPIPTSA-N 2 1 288.479 3.511 20 0 CHADMP C[N@@H+](Cc1cc(-n2ccnc2)cs1)C1(C)CCCC1 ZINC000426562217 1122823568 /nfs/dbraw/zinc/82/35/68/1122823568.db2.gz QOCVFBXVGFVOIH-UHFFFAOYSA-N 2 1 275.421 3.698 20 0 CHADMP Clc1cc(Cl)cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262006735 1122828239 /nfs/dbraw/zinc/82/82/39/1122828239.db2.gz LVMFPCLMYCPBBV-UHFFFAOYSA-N 2 1 299.245 3.569 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cc2ccccc2[nH]1 ZINC000775627771 1122832031 /nfs/dbraw/zinc/83/20/31/1122832031.db2.gz OFDKAIJCSQACNB-UONOGXRCSA-N 2 1 296.418 3.660 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cc2ccccc2[nH]1 ZINC000775627772 1122832160 /nfs/dbraw/zinc/83/21/60/1122832160.db2.gz OFDKAIJCSQACNB-ZIAGYGMSSA-N 2 1 296.418 3.660 20 0 CHADMP CC[C@H](C)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167966604 1122837817 /nfs/dbraw/zinc/83/78/17/1122837817.db2.gz XFGUAJSRWFLBBU-RLHTVVPMSA-N 2 1 278.484 3.806 20 0 CHADMP CC[C@@H](C)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167966601 1122838776 /nfs/dbraw/zinc/83/87/76/1122838776.db2.gz XFGUAJSRWFLBBU-ODLRDIKDSA-N 2 1 278.484 3.806 20 0 CHADMP CC[C@@H](C)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167966600 1122838968 /nfs/dbraw/zinc/83/89/68/1122838968.db2.gz XFGUAJSRWFLBBU-IZVVFDKHSA-N 2 1 278.484 3.806 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(C(C)C)c1 ZINC001205693230 1122856640 /nfs/dbraw/zinc/85/66/40/1122856640.db2.gz RTQZZRKQHIDUJK-UHFFFAOYSA-N 2 1 262.441 3.584 20 0 CHADMP CC1(C)CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167975270 1122878166 /nfs/dbraw/zinc/87/81/66/1122878166.db2.gz NIJXIARYMWDTGG-FBVQUNGASA-N 2 1 290.495 3.950 20 0 CHADMP C[C@H]1CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167983306 1122905658 /nfs/dbraw/zinc/90/56/58/1122905658.db2.gz FKXSRQOIDREDDL-QTXGHNMQSA-N 2 1 276.468 3.514 20 0 CHADMP C[C@H]1CCCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167983306 1122905661 /nfs/dbraw/zinc/90/56/61/1122905661.db2.gz FKXSRQOIDREDDL-QTXGHNMQSA-N 2 1 276.468 3.514 20 0 CHADMP C[C@H]1CCCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167983306 1122905664 /nfs/dbraw/zinc/90/56/64/1122905664.db2.gz FKXSRQOIDREDDL-QTXGHNMQSA-N 2 1 276.468 3.514 20 0 CHADMP Cc1cccc([C@H]([NH2+]CC[C@H]2CCC[N@H+]2C)C(C)C)c1 ZINC001196781364 1122933885 /nfs/dbraw/zinc/93/38/85/1122933885.db2.gz ACNYZZOUBNKQSP-QZTJIDSGSA-N 2 1 274.452 3.766 20 0 CHADMP CC(C)=CCC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001197283818 1122952211 /nfs/dbraw/zinc/95/22/11/1122952211.db2.gz DLZLKVLOAGKNJC-UHFFFAOYSA-N 2 1 252.446 3.541 20 0 CHADMP C[C@]1(c2ccccc2)CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC001197340649 1122954984 /nfs/dbraw/zinc/95/49/84/1122954984.db2.gz AIWORJAYVFEAIL-LJQANCHMSA-N 2 1 286.463 3.874 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205826770 1122980336 /nfs/dbraw/zinc/98/03/36/1122980336.db2.gz BNIWQKYPXFTXIA-JSGCOSHPSA-N 2 1 288.460 3.769 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205826770 1122980339 /nfs/dbraw/zinc/98/03/39/1122980339.db2.gz BNIWQKYPXFTXIA-JSGCOSHPSA-N 2 1 288.460 3.769 20 0 CHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c1 ZINC001203894986 1122981889 /nfs/dbraw/zinc/98/18/89/1122981889.db2.gz PQCRGYIDHIAEGL-RBUKOAKNSA-N 2 1 286.463 3.834 20 0 CHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001203894986 1122981891 /nfs/dbraw/zinc/98/18/91/1122981891.db2.gz PQCRGYIDHIAEGL-RBUKOAKNSA-N 2 1 286.463 3.834 20 0 CHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001203894986 1122981892 /nfs/dbraw/zinc/98/18/92/1122981892.db2.gz PQCRGYIDHIAEGL-RBUKOAKNSA-N 2 1 286.463 3.834 20 0 CHADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001198605161 1123001527 /nfs/dbraw/zinc/00/15/27/1123001527.db2.gz XUPFQMCPXLTSDQ-BGYRXZFFSA-N 2 1 298.474 3.904 20 0 CHADMP C[N@H+]1C[C@]23C[NH+](CCC(C)(C)C4CC4)C[C@@]2(C1)CCCC3 ZINC001198820564 1123012983 /nfs/dbraw/zinc/01/29/83/1123012983.db2.gz KXICAZOFBXQAPS-KDURUIRLSA-N 2 1 290.495 3.621 20 0 CHADMP C[NH+]1C[C@]23C[N@H+](CCC(C)(C)C4CC4)C[C@@]2(C1)CCCC3 ZINC001198820564 1123012988 /nfs/dbraw/zinc/01/29/88/1123012988.db2.gz KXICAZOFBXQAPS-KDURUIRLSA-N 2 1 290.495 3.621 20 0 CHADMP C[NH+]1C[C@]23C[N@@H+](CCC(C)(C)C4CC4)C[C@@]2(C1)CCCC3 ZINC001198820564 1123012991 /nfs/dbraw/zinc/01/29/91/1123012991.db2.gz KXICAZOFBXQAPS-KDURUIRLSA-N 2 1 290.495 3.621 20 0 CHADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC001198952715 1123016858 /nfs/dbraw/zinc/01/68/58/1123016858.db2.gz VCZZXURFQZMUPH-UHFFFAOYSA-N 2 1 288.357 3.585 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C[C@H]2CCCC[C@H]2C)C1 ZINC001199329544 1123027716 /nfs/dbraw/zinc/02/77/16/1123027716.db2.gz VVCKYQNKHHRVCJ-XMTFNYHQSA-N 2 1 280.500 3.770 20 0 CHADMP CC[C@H](F)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000440781691 1123039109 /nfs/dbraw/zinc/03/91/09/1123039109.db2.gz ISECJAOBPNDWTG-RYQLBKOJSA-N 2 1 292.442 3.719 20 0 CHADMP CC[C@H](F)C[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000440781691 1123039114 /nfs/dbraw/zinc/03/91/14/1123039114.db2.gz ISECJAOBPNDWTG-RYQLBKOJSA-N 2 1 292.442 3.719 20 0 CHADMP C[C@H]1CCC[C@H]([NH2+]CC[N@H+](C)C2CCCCC2)CC1 ZINC001199812098 1123042666 /nfs/dbraw/zinc/04/26/66/1123042666.db2.gz HHFALTPSVQKEPH-HOTGVXAUSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@H]1CCC[C@H]([NH2+]CC[N@@H+](C)C2CCCCC2)CC1 ZINC001199812098 1123042671 /nfs/dbraw/zinc/04/26/71/1123042671.db2.gz HHFALTPSVQKEPH-HOTGVXAUSA-N 2 1 266.473 3.809 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(Cl)c(C)c1Cl ZINC001199874972 1123045414 /nfs/dbraw/zinc/04/54/14/1123045414.db2.gz NXGLVRQQZSBCIS-UHFFFAOYSA-N 2 1 298.217 3.597 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)C[C@H](C)CCC=C(C)C ZINC001201496572 1123110426 /nfs/dbraw/zinc/11/04/26/1123110426.db2.gz OZYIUWOYHIBBAR-MRXNPFEDSA-N 2 1 254.462 3.643 20 0 CHADMP CC[N@H+](CCCn1cc[nH+]c1C)Cc1cccc(Cl)c1 ZINC000441334712 1123079641 /nfs/dbraw/zinc/07/96/41/1123079641.db2.gz OSGZWVVCKCTTPL-UHFFFAOYSA-N 2 1 291.826 3.757 20 0 CHADMP CC[N@@H+](CCCn1cc[nH+]c1C)Cc1cccc(Cl)c1 ZINC000441334712 1123079645 /nfs/dbraw/zinc/07/96/45/1123079645.db2.gz OSGZWVVCKCTTPL-UHFFFAOYSA-N 2 1 291.826 3.757 20 0 CHADMP CC[C@@H]1CCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995310 1123106070 /nfs/dbraw/zinc/10/60/70/1123106070.db2.gz ZTBDIWIPDNBAPH-HRBLRVMOSA-N 2 1 276.468 3.656 20 0 CHADMP CC[C@@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995310 1123106073 /nfs/dbraw/zinc/10/60/73/1123106073.db2.gz ZTBDIWIPDNBAPH-HRBLRVMOSA-N 2 1 276.468 3.656 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001201489791 1123108232 /nfs/dbraw/zinc/10/82/32/1123108232.db2.gz GRTAJPAGXHUHJE-MRXNPFEDSA-N 2 1 266.473 3.643 20 0 CHADMP CCC(CC)C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001201536327 1123115841 /nfs/dbraw/zinc/11/58/41/1123115841.db2.gz YHCAKYOHHDKTDN-IRXDYDNUSA-N 2 1 266.473 3.761 20 0 CHADMP CCC(CC)C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001201536327 1123115844 /nfs/dbraw/zinc/11/58/44/1123115844.db2.gz YHCAKYOHHDKTDN-IRXDYDNUSA-N 2 1 266.473 3.761 20 0 CHADMP CCC(CC)C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001201536327 1123115847 /nfs/dbraw/zinc/11/58/47/1123115847.db2.gz YHCAKYOHHDKTDN-IRXDYDNUSA-N 2 1 266.473 3.761 20 0 CHADMP CCc1cc(N2CC[C@H](C[N@H+](C)CC)C2)c2ccccc2[nH+]1 ZINC000125654182 1123123399 /nfs/dbraw/zinc/12/33/99/1123123399.db2.gz STHAOEIVOOCBNZ-OAHLLOKOSA-N 2 1 297.446 3.575 20 0 CHADMP c1ccc(C[NH+]2CCC3(CCC[N@H+](CC4CC4)C3)CC2)cc1 ZINC001201951378 1123162189 /nfs/dbraw/zinc/16/21/89/1123162189.db2.gz IPPOHDXZJQBVBY-UHFFFAOYSA-N 2 1 298.474 3.775 20 0 CHADMP CC(C)(C)CC[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001202065025 1123171462 /nfs/dbraw/zinc/17/14/62/1123171462.db2.gz HFRFKJCRPAXIEH-GJZGRUSLSA-N 2 1 292.492 3.548 20 0 CHADMP C(C[NH+]1CCCC1)[C@H]1CCCC[N@H+]1CC1CCCC1 ZINC001202167786 1123180272 /nfs/dbraw/zinc/18/02/72/1123180272.db2.gz VBODFQZVFRITIX-QGZVFWFLSA-N 2 1 264.457 3.517 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1CC1CCCC1 ZINC001202178559 1123182167 /nfs/dbraw/zinc/18/21/67/1123182167.db2.gz VKRCIJNZKSYWEK-DLBZAZTESA-N 2 1 264.457 3.515 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CC1CCCC1 ZINC001202178559 1123182172 /nfs/dbraw/zinc/18/21/72/1123182172.db2.gz VKRCIJNZKSYWEK-DLBZAZTESA-N 2 1 264.457 3.515 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1CC1CCCC1 ZINC001202178559 1123182174 /nfs/dbraw/zinc/18/21/74/1123182174.db2.gz VKRCIJNZKSYWEK-DLBZAZTESA-N 2 1 264.457 3.515 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C23CC(C2)C3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168008119 1123215245 /nfs/dbraw/zinc/21/52/45/1123215245.db2.gz COGJYJHOCOFAJK-IDHLJQCASA-N 2 1 284.447 3.570 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C2CCC2)cc1 ZINC000427691175 1123241789 /nfs/dbraw/zinc/24/17/89/1123241789.db2.gz SSKPJXKXSUVHII-ATZDWAIDSA-N 2 1 286.463 3.909 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C2CCC2)cc1 ZINC000427691175 1123241791 /nfs/dbraw/zinc/24/17/91/1123241791.db2.gz SSKPJXKXSUVHII-ATZDWAIDSA-N 2 1 286.463 3.909 20 0 CHADMP CC(C)[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cc(F)ccc1F ZINC000665246449 1123256160 /nfs/dbraw/zinc/25/61/60/1123256160.db2.gz GCIDIAVJSLPLJE-OAHLLOKOSA-N 2 1 282.378 3.523 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(C(F)F)nc1 ZINC000850440415 1123267376 /nfs/dbraw/zinc/26/73/76/1123267376.db2.gz XHTMYKXQTUDWTO-YUTCNCBUSA-N 2 1 297.393 3.543 20 0 CHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2C=CCC2)CC1 ZINC000850508914 1123276985 /nfs/dbraw/zinc/27/69/85/1123276985.db2.gz LLOXSHGTHGXSLL-VIQWUECVSA-N 2 1 284.447 3.738 20 0 CHADMP Cc1cccc2c1CCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000850573657 1123295317 /nfs/dbraw/zinc/29/53/17/1123295317.db2.gz PCGJIGZQNXHYBK-IHBAFOEMSA-N 2 1 284.447 3.587 20 0 CHADMP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)C2)cc1 ZINC000852748419 1123415025 /nfs/dbraw/zinc/41/50/25/1123415025.db2.gz VDBVCKLLYXYBRE-RLLQIKCJSA-N 2 1 298.474 3.646 20 0 CHADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000852747068 1123415050 /nfs/dbraw/zinc/41/50/50/1123415050.db2.gz WUDOFCIKYFNRAP-RNINOARNSA-N 2 1 298.474 3.915 20 0 CHADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000852747068 1123415052 /nfs/dbraw/zinc/41/50/52/1123415052.db2.gz WUDOFCIKYFNRAP-RNINOARNSA-N 2 1 298.474 3.915 20 0 CHADMP CCc1oc2ccccc2c1C[NH2+]CCC[NH+](CC)CC ZINC000033611397 1123427397 /nfs/dbraw/zinc/42/73/97/1123427397.db2.gz OKPYFTIPNUYXIL-UHFFFAOYSA-N 2 1 288.435 3.817 20 0 CHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000111300071 1123439383 /nfs/dbraw/zinc/43/93/83/1123439383.db2.gz YPQTXJUALKCBOZ-OAHLLOKOSA-N 2 1 272.436 3.744 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2CC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000395165139 1123461557 /nfs/dbraw/zinc/46/15/57/1123461557.db2.gz CBDPUBIVESXKFA-RDJZCZTQSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2CC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000395165139 1123461558 /nfs/dbraw/zinc/46/15/58/1123461558.db2.gz CBDPUBIVESXKFA-RDJZCZTQSA-N 2 1 286.463 3.818 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2C(C)=CCC[C@@H]2C)[C@@H](C)C1 ZINC000443663186 1123466755 /nfs/dbraw/zinc/46/67/55/1123466755.db2.gz WYBKMYDFKGRWBX-FJIDUMEYSA-N 2 1 278.484 3.641 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2C(C)=CCC[C@@H]2C)[C@@H](C)C1 ZINC000443663186 1123466759 /nfs/dbraw/zinc/46/67/59/1123466759.db2.gz WYBKMYDFKGRWBX-FJIDUMEYSA-N 2 1 278.484 3.641 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2C(C)=CCC[C@@H]2C)[C@@H](C)C1 ZINC000443663186 1123466761 /nfs/dbraw/zinc/46/67/61/1123466761.db2.gz WYBKMYDFKGRWBX-FJIDUMEYSA-N 2 1 278.484 3.641 20 0 CHADMP C1=C[C@H](C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000895527280 1123488419 /nfs/dbraw/zinc/48/84/19/1123488419.db2.gz LRRSTOFFPRDHLZ-ILZDJORESA-N 2 1 296.458 3.910 20 0 CHADMP C1=C[C@H](C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000895527280 1123488421 /nfs/dbraw/zinc/48/84/21/1123488421.db2.gz LRRSTOFFPRDHLZ-ILZDJORESA-N 2 1 296.458 3.910 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@@H+](CC[C@H](C)CCC=C(C)C)C1 ZINC001205002055 1123490130 /nfs/dbraw/zinc/49/01/30/1123490130.db2.gz YKNBJASSALYUBI-IAGOWNOFSA-N 2 1 266.473 3.690 20 0 CHADMP CC[N@@H+](CCC[NH2+][C@H]1CCOC(C)(C)C1)C1CCCCC1 ZINC000634685716 1129125858 /nfs/dbraw/zinc/12/58/58/1129125858.db2.gz UHIYVOPMGZXTTE-INIZCTEOSA-N 2 1 296.499 3.578 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000157307541 1129126702 /nfs/dbraw/zinc/12/67/02/1129126702.db2.gz DDKLNRFRMRWSHR-VCBZYWHSSA-N 2 1 282.431 3.658 20 0 CHADMP COC1(C[C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)CCC1 ZINC000429523497 1123532480 /nfs/dbraw/zinc/53/24/80/1123532480.db2.gz SDOUTGQDZWSGOC-DLBZAZTESA-N 2 1 296.499 3.578 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000163266105 1129128361 /nfs/dbraw/zinc/12/83/61/1129128361.db2.gz YOXUIRXUKDPVPO-MNEFBYGVSA-N 2 1 286.463 3.818 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000163266105 1129128363 /nfs/dbraw/zinc/12/83/63/1129128363.db2.gz YOXUIRXUKDPVPO-MNEFBYGVSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000474616228 1123559874 /nfs/dbraw/zinc/55/98/74/1123559874.db2.gz YOJZLXIEYKWOBJ-DCGLDWPTSA-N 2 1 294.870 3.762 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]CCCC(C)(F)F)C[C@H]1c1ccccc1 ZINC000453234340 1123562483 /nfs/dbraw/zinc/56/24/83/1123562483.db2.gz KOGOMSRZOIULBC-CVEARBPZSA-N 2 1 296.405 3.847 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CCCC(C)(F)F)C[C@H]1c1ccccc1 ZINC000453234340 1123562488 /nfs/dbraw/zinc/56/24/88/1123562488.db2.gz KOGOMSRZOIULBC-CVEARBPZSA-N 2 1 296.405 3.847 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)CC1 ZINC000429540769 1123585177 /nfs/dbraw/zinc/58/51/77/1123585177.db2.gz UANHFAFGOMPVDE-LJQANCHMSA-N 2 1 282.431 3.756 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)C2CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168041626 1123586744 /nfs/dbraw/zinc/58/67/44/1123586744.db2.gz ULAMTMUKGVPHIB-JLVBRIDZSA-N 2 1 272.436 3.522 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)C2CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168041626 1123586749 /nfs/dbraw/zinc/58/67/49/1123586749.db2.gz ULAMTMUKGVPHIB-JLVBRIDZSA-N 2 1 272.436 3.522 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)C2CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041626 1123586754 /nfs/dbraw/zinc/58/67/54/1123586754.db2.gz ULAMTMUKGVPHIB-JLVBRIDZSA-N 2 1 272.436 3.522 20 0 CHADMP C[C@@H]1C[C@@H]([N@H+](C)C2CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041626 1123586759 /nfs/dbraw/zinc/58/67/59/1123586759.db2.gz ULAMTMUKGVPHIB-JLVBRIDZSA-N 2 1 272.436 3.522 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)C2CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041626 1123586767 /nfs/dbraw/zinc/58/67/67/1123586767.db2.gz ULAMTMUKGVPHIB-JLVBRIDZSA-N 2 1 272.436 3.522 20 0 CHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)CC1CCCCC1 ZINC000346138801 1123666359 /nfs/dbraw/zinc/66/63/59/1123666359.db2.gz UFCPITJEQTUUJN-UHFFFAOYSA-N 2 1 298.434 3.588 20 0 CHADMP Cc1nccn1CC[N@H+](C)[C@H](c1ccccc1C)C(C)C ZINC000346269008 1123677450 /nfs/dbraw/zinc/67/74/50/1123677450.db2.gz ABPOZECDYYTTBH-SFHVURJKSA-N 2 1 285.435 3.829 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](c1ccccc1C)C(C)C ZINC000346269008 1123677451 /nfs/dbraw/zinc/67/74/51/1123677451.db2.gz ABPOZECDYYTTBH-SFHVURJKSA-N 2 1 285.435 3.829 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H](c1ccccc1C)C(C)C ZINC000346269008 1123677453 /nfs/dbraw/zinc/67/74/53/1123677453.db2.gz ABPOZECDYYTTBH-SFHVURJKSA-N 2 1 285.435 3.829 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](CCc1ccccc1)C1CCCC1 ZINC000346300750 1123678536 /nfs/dbraw/zinc/67/85/36/1123678536.db2.gz CJOPVMAZGZDTCJ-UHFFFAOYSA-N 2 1 297.446 3.679 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](CCc1ccccc1)C1CCCC1 ZINC000346300750 1123678538 /nfs/dbraw/zinc/67/85/38/1123678538.db2.gz CJOPVMAZGZDTCJ-UHFFFAOYSA-N 2 1 297.446 3.679 20 0 CHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(-c4ccccc4)c3)C[C@@H]12 ZINC000346821486 1123716749 /nfs/dbraw/zinc/71/67/49/1123716749.db2.gz AHBSEPIRPAPIFR-VAMGGRTRSA-N 2 1 292.426 3.523 20 0 CHADMP CC[C@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccc(F)cn1 ZINC000346873624 1123729108 /nfs/dbraw/zinc/72/91/08/1123729108.db2.gz HPUYSQPFAPJHPR-HOCLYGCPSA-N 2 1 293.430 3.526 20 0 CHADMP C[C@H]([NH3+])c1ccc(-c2ccc(C(F)(F)C[NH3+])cc2)cc1F ZINC000629737595 1123731612 /nfs/dbraw/zinc/73/16/12/1123731612.db2.gz KBHBKUJQGDUURF-JTQLQIEISA-N 2 1 294.320 3.563 20 0 CHADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000469860036 1123757586 /nfs/dbraw/zinc/75/75/86/1123757586.db2.gz DRITXTWZOYNUOG-UONOGXRCSA-N 2 1 286.444 3.584 20 0 CHADMP Cc1ccc(C)c(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000042296259 1123783496 /nfs/dbraw/zinc/78/34/96/1123783496.db2.gz XNRRBEREEUTBKD-QGZVFWFLSA-N 2 1 274.452 3.658 20 0 CHADMP C[NH+]1CCC2(CCC[N@H+]2CC2CCC(C)(C)CC2)CC1 ZINC000475113597 1123796494 /nfs/dbraw/zinc/79/64/94/1123796494.db2.gz DUWWPTKPVABPFY-UHFFFAOYSA-N 2 1 278.484 3.763 20 0 CHADMP C[C@@]1([NH3+])CC[N@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC001204782673 1123811934 /nfs/dbraw/zinc/81/19/34/1123811934.db2.gz IJWAXLFEFDOYEN-GOSISDBHSA-N 2 1 296.439 3.978 20 0 CHADMP C[C@@]1([NH3+])CC[N@@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC001204782673 1123811940 /nfs/dbraw/zinc/81/19/40/1123811940.db2.gz IJWAXLFEFDOYEN-GOSISDBHSA-N 2 1 296.439 3.978 20 0 CHADMP C[C@@H]1CC([NH+]2CC3CC(C3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168059673 1123824188 /nfs/dbraw/zinc/82/41/88/1123824188.db2.gz VAOGRSKBRXBPBX-FDCMFXBMSA-N 2 1 298.474 3.770 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C)CCC(C)CC2)[C@H](C)C1 ZINC000475431889 1123865004 /nfs/dbraw/zinc/86/50/04/1123865004.db2.gz WHFHQYRAZSJWBV-JCCCHCCOSA-N 2 1 266.473 3.523 20 0 CHADMP CC(C)C[NH+]1CCC(Nc2cc[nH+]c3ccsc32)CC1 ZINC000301375876 1123896358 /nfs/dbraw/zinc/89/63/58/1123896358.db2.gz VSEDQVZRAZFOQY-UHFFFAOYSA-N 2 1 289.448 3.829 20 0 CHADMP C[NH+](C)[C@H]1CCC[C@@H](Nc2cc[nH+]c3ccsc32)C1 ZINC000301596490 1123916159 /nfs/dbraw/zinc/91/61/59/1123916159.db2.gz SIKFLYIXJQLWLH-NEPJUHHUSA-N 2 1 275.421 3.581 20 0 CHADMP CCC1(C)CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000339066217 1123919176 /nfs/dbraw/zinc/91/91/76/1123919176.db2.gz FVYDQQQNKMLTCV-JCCCHCCOSA-N 2 1 264.457 3.562 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccccc1C(C)(C)C ZINC000339066584 1123922513 /nfs/dbraw/zinc/92/25/13/1123922513.db2.gz GHQHOVKKROKQMU-AWEZNQCLSA-N 2 1 285.435 3.840 20 0 CHADMP Cc1ccc(C[NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)c(C)c1 ZINC001202513640 1123932931 /nfs/dbraw/zinc/93/29/31/1123932931.db2.gz PSFCOMONJHWYTM-IBGZPJMESA-N 2 1 288.479 3.904 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(CNc2cc[nH+]c(C)c2)cc1F ZINC000302212870 1123961584 /nfs/dbraw/zinc/96/15/84/1123961584.db2.gz FGMOODBJZNHZGH-UHFFFAOYSA-N 2 1 296.349 3.635 20 0 CHADMP Cc1cc(C)c(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1C ZINC000475568249 1124014501 /nfs/dbraw/zinc/01/45/01/1124014501.db2.gz DPTBLENIRIPEFX-UHFFFAOYSA-N 2 1 286.463 3.718 20 0 CHADMP C[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2C2CCCCC2)CC1 ZINC000034996625 1124020115 /nfs/dbraw/zinc/02/01/15/1124020115.db2.gz HFOGTWPJKDRKKG-ROUUACIJSA-N 2 1 278.484 3.809 20 0 CHADMP CC[N@@H+](CCC[NH+]1CCCCC1)[C@H](C)Cc1ccsc1 ZINC000444632285 1124046506 /nfs/dbraw/zinc/04/65/06/1124046506.db2.gz ZBWYGXYSSLZROW-MRXNPFEDSA-N 2 1 294.508 3.877 20 0 CHADMP C[C@H](C[NH2+][C@H](C)c1ccc(C(F)(F)F)s1)C[NH+](C)C ZINC000717985865 1129164863 /nfs/dbraw/zinc/16/48/63/1129164863.db2.gz UZBAPBKVJYEHSA-NXEZZACHSA-N 2 1 294.386 3.615 20 0 CHADMP C1CC1[NH+]1CCC([NH2+][C@H]2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC000714267187 1124088097 /nfs/dbraw/zinc/08/80/97/1124088097.db2.gz IYWPYOHDWIFMFF-QGTPRVQTSA-N 2 1 276.468 3.562 20 0 CHADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000866706658 1124094585 /nfs/dbraw/zinc/09/45/85/1124094585.db2.gz JFVIOLRIRQNOLE-KRWDZBQOSA-N 2 1 296.405 3.821 20 0 CHADMP CCc1ccccc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000445797919 1124102847 /nfs/dbraw/zinc/10/28/47/1124102847.db2.gz DDNWKZXNXUSFRS-UHFFFAOYSA-N 2 1 274.452 3.554 20 0 CHADMP Cc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1Cl ZINC000446795054 1124122461 /nfs/dbraw/zinc/12/24/61/1124122461.db2.gz LYCFRSNXDSTAJB-UHFFFAOYSA-N 2 1 292.854 3.709 20 0 CHADMP CC1CC(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000621384785 1129169991 /nfs/dbraw/zinc/16/99/91/1129169991.db2.gz ULLROKVYTWSJGA-KVZIAJEVSA-N 2 1 298.474 3.819 20 0 CHADMP CC1CC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000621384785 1129169994 /nfs/dbraw/zinc/16/99/94/1129169994.db2.gz ULLROKVYTWSJGA-KVZIAJEVSA-N 2 1 298.474 3.819 20 0 CHADMP CC1(C)C[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447580036 1124497586 /nfs/dbraw/zinc/49/75/86/1124497586.db2.gz MWBWTDDHNXAAKP-CADBVGFASA-N 2 1 298.474 3.818 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H](C)c2ccccc2)C[C@H]1C ZINC000447720527 1124516630 /nfs/dbraw/zinc/51/66/30/1124516630.db2.gz BZPQDVGCJNFMHR-SCTDSRPQSA-N 2 1 288.479 3.985 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H](C)c2ccccc2)C[C@H]1C ZINC000447720527 1124516639 /nfs/dbraw/zinc/51/66/39/1124516639.db2.gz BZPQDVGCJNFMHR-SCTDSRPQSA-N 2 1 288.479 3.985 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H](C)c2ccccc2)C[C@H]1C ZINC000447720527 1124516645 /nfs/dbraw/zinc/51/66/45/1124516645.db2.gz BZPQDVGCJNFMHR-SCTDSRPQSA-N 2 1 288.479 3.985 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc3ccoc32)C1 ZINC000449034655 1124635972 /nfs/dbraw/zinc/63/59/72/1124635972.db2.gz DJPHUNURBHQOLG-HNNXBMFYSA-N 2 1 286.419 3.597 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc3ccoc32)C1 ZINC000449034655 1124635976 /nfs/dbraw/zinc/63/59/76/1124635976.db2.gz DJPHUNURBHQOLG-HNNXBMFYSA-N 2 1 286.419 3.597 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCC12CCC2 ZINC000449081165 1124646238 /nfs/dbraw/zinc/64/62/38/1124646238.db2.gz CGTOCWVMLVSBJV-IAGOWNOFSA-N 2 1 278.484 3.953 20 0 CHADMP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449091055 1124649311 /nfs/dbraw/zinc/64/93/11/1124649311.db2.gz OZTVGBVUVSAXRB-OIISXLGYSA-N 2 1 298.430 3.580 20 0 CHADMP C/C(Cl)=C/CN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000528381650 1124654520 /nfs/dbraw/zinc/65/45/20/1124654520.db2.gz NPYKAPUUUDBTIR-NBWJXOEWSA-N 2 1 284.875 3.715 20 0 CHADMP c1ccc2c(c1)CCCC[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000872025586 1124659445 /nfs/dbraw/zinc/65/94/45/1124659445.db2.gz PLRTZADUMWXAQU-ZCNNSNEGSA-N 2 1 298.474 3.541 20 0 CHADMP CC[C@H](CCC(F)(F)F)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000872033397 1124661570 /nfs/dbraw/zinc/66/15/70/1124661570.db2.gz GNVYBBYULLOWNH-GFCCVEGCSA-N 2 1 280.378 3.572 20 0 CHADMP CC[C@H](CCC(F)(F)F)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000872033397 1124661572 /nfs/dbraw/zinc/66/15/72/1124661572.db2.gz GNVYBBYULLOWNH-GFCCVEGCSA-N 2 1 280.378 3.572 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@H]1CCCC[C@@H]1C ZINC000449165733 1124662841 /nfs/dbraw/zinc/66/28/41/1124662841.db2.gz XKRFGFPLCBTNGY-UXLLHSPISA-N 2 1 277.456 3.776 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)CC1 ZINC000449433643 1124737142 /nfs/dbraw/zinc/73/71/42/1124737142.db2.gz NDZDMMWLZMZJAZ-JSGCOSHPSA-N 2 1 292.389 3.572 20 0 CHADMP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@@H]1CCc2ccccc21 ZINC000873202611 1124750574 /nfs/dbraw/zinc/75/05/74/1124750574.db2.gz VKDHMTINMMNGSR-QGZVFWFLSA-N 2 1 298.455 3.513 20 0 CHADMP C[C@H]1CC[C@H]([NH2+]C2CCC3(CCCCC3)CC2)C[NH2+]1 ZINC001246086417 1131295661 /nfs/dbraw/zinc/29/56/61/1131295661.db2.gz VLYLSMBIOCFYJT-HOCLYGCPSA-N 2 1 264.457 3.610 20 0 CHADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)CC1CCCCC1 ZINC000449560820 1124802781 /nfs/dbraw/zinc/80/27/81/1124802781.db2.gz PWYLDUHIJZMRET-MIGBEJBISA-N 2 1 278.484 3.808 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)CC/C=C\c2ccccc2)CC1 ZINC000450338585 1124985668 /nfs/dbraw/zinc/98/56/68/1124985668.db2.gz LKIJTOZXCYFHKK-XFFZJAGNSA-N 2 1 286.463 3.895 20 0 CHADMP C(=C/c1ccccc1)\CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000450429943 1125022651 /nfs/dbraw/zinc/02/26/51/1125022651.db2.gz OGFXQAUBXCEISO-KBMDHIKASA-N 2 1 284.447 3.508 20 0 CHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC/C=C\c2ccccc2)C1 ZINC000450459106 1125035409 /nfs/dbraw/zinc/03/54/09/1125035409.db2.gz ZRGCURRDFKBSFK-FMSOUQGNSA-N 2 1 298.474 3.754 20 0 CHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC/C=C\c2ccccc2)C1 ZINC000450459106 1125035416 /nfs/dbraw/zinc/03/54/16/1125035416.db2.gz ZRGCURRDFKBSFK-FMSOUQGNSA-N 2 1 298.474 3.754 20 0 CHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC000450459106 1125035425 /nfs/dbraw/zinc/03/54/25/1125035425.db2.gz ZRGCURRDFKBSFK-FMSOUQGNSA-N 2 1 298.474 3.754 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)CC/C=C\c2ccccc2)CC1 ZINC000450469838 1125039794 /nfs/dbraw/zinc/03/97/94/1125039794.db2.gz SFXSZMUFRGEHQZ-XFFZJAGNSA-N 2 1 286.463 3.896 20 0 CHADMP C[N@H+](CC1=CCCCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450642771 1125075052 /nfs/dbraw/zinc/07/50/52/1125075052.db2.gz PTTDORLHHLIBCE-UHFFFAOYSA-N 2 1 299.462 3.730 20 0 CHADMP CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390714782 1125111088 /nfs/dbraw/zinc/11/10/88/1125111088.db2.gz IXTOCHZHQRRZCO-KRWDZBQOSA-N 2 1 274.452 3.677 20 0 CHADMP CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390714782 1125111091 /nfs/dbraw/zinc/11/10/91/1125111091.db2.gz IXTOCHZHQRRZCO-KRWDZBQOSA-N 2 1 274.452 3.677 20 0 CHADMP CC[C@H]1c2ccsc2CC[N@H+]1CCC[NH+](CC)CC ZINC000530412776 1125151359 /nfs/dbraw/zinc/15/13/59/1125151359.db2.gz CMWDEWJNGSPCKC-HNNXBMFYSA-N 2 1 280.481 3.789 20 0 CHADMP CC[C@H]1c2ccsc2CC[N@@H+]1CCC[NH+](CC)CC ZINC000530412776 1125151363 /nfs/dbraw/zinc/15/13/63/1125151363.db2.gz CMWDEWJNGSPCKC-HNNXBMFYSA-N 2 1 280.481 3.789 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC([NH+]3CCCCC3)C1)[C@H](C)C2 ZINC000530424446 1125152493 /nfs/dbraw/zinc/15/24/93/1125152493.db2.gz WLFQICOZWALAOL-GIESBBMHSA-N 2 1 298.474 3.835 20 0 CHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1occc1C ZINC000530714346 1125173985 /nfs/dbraw/zinc/17/39/85/1125173985.db2.gz LJGBAUUUFQNQDU-JKSUJKDBSA-N 2 1 278.440 3.578 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)cc(C)cc2C)C[C@@H]1C ZINC000531139903 1125197174 /nfs/dbraw/zinc/19/71/74/1125197174.db2.gz BQXAETJUODIXPL-ROUUACIJSA-N 2 1 288.479 3.916 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)cc(C)cc2C)C[C@@H]1C ZINC000531139903 1125197178 /nfs/dbraw/zinc/19/71/78/1125197178.db2.gz BQXAETJUODIXPL-ROUUACIJSA-N 2 1 288.479 3.916 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)cc(C)cc2C)C[C@@H]1C ZINC000531139903 1125197180 /nfs/dbraw/zinc/19/71/80/1125197180.db2.gz BQXAETJUODIXPL-ROUUACIJSA-N 2 1 288.479 3.916 20 0 CHADMP CC(C)CCCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127787744 1125214976 /nfs/dbraw/zinc/21/49/76/1125214976.db2.gz UPUWPTALMFMZGC-IAGOWNOFSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@H]1C[C@H](Nc2ccc([NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000127886315 1125221893 /nfs/dbraw/zinc/22/18/93/1125221893.db2.gz VUPVNEVZNGEAOI-DOTOQJQBSA-N 2 1 287.451 3.572 20 0 CHADMP C[C@H]1C[C@H](Nc2ccc([NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000127886315 1125221898 /nfs/dbraw/zinc/22/18/98/1125221898.db2.gz VUPVNEVZNGEAOI-DOTOQJQBSA-N 2 1 287.451 3.572 20 0 CHADMP CCCCCC(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128072114 1125237784 /nfs/dbraw/zinc/23/77/84/1125237784.db2.gz IAUSLSVGPULCDN-JKSUJKDBSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000532205980 1125238385 /nfs/dbraw/zinc/23/83/85/1125238385.db2.gz OAYDRBGURCEZRH-IIDMSEBBSA-N 2 1 288.479 3.802 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCC1CCCCC1 ZINC000532195353 1125239415 /nfs/dbraw/zinc/23/94/15/1125239415.db2.gz FFDRREHIQNHSQJ-HLLBOEOZSA-N 2 1 266.473 3.665 20 0 CHADMP CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000532227297 1125242681 /nfs/dbraw/zinc/24/26/81/1125242681.db2.gz CFSSENUIMIKXAD-NVXWUHKLSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000398044369 1125332583 /nfs/dbraw/zinc/33/25/83/1125332583.db2.gz UVHLUOUCHQZIKH-WSTZPKSXSA-N 2 1 298.474 3.843 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C=CCCC1 ZINC000398047830 1125332744 /nfs/dbraw/zinc/33/27/44/1125332744.db2.gz WMKZRXPUYSAUPP-NZSAHSFTSA-N 2 1 284.447 3.595 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C=CCCC1 ZINC000398047830 1125332748 /nfs/dbraw/zinc/33/27/48/1125332748.db2.gz WMKZRXPUYSAUPP-NZSAHSFTSA-N 2 1 284.447 3.595 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C)CCC1 ZINC000398031718 1125332997 /nfs/dbraw/zinc/33/29/97/1125332997.db2.gz NOYGEFFETATOLV-SJLPKXTDSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C)CCC1 ZINC000398031718 1125332999 /nfs/dbraw/zinc/33/29/99/1125332999.db2.gz NOYGEFFETATOLV-SJLPKXTDSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCC1(C)C ZINC000398181135 1125337283 /nfs/dbraw/zinc/33/72/83/1125337283.db2.gz HTRDCGWYHGKDPR-NXHRZFHOSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCC1(C)C ZINC000398181135 1125337284 /nfs/dbraw/zinc/33/72/84/1125337284.db2.gz HTRDCGWYHGKDPR-NXHRZFHOSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(C)(C)C ZINC000398214264 1125337603 /nfs/dbraw/zinc/33/76/03/1125337603.db2.gz QOZFSMUGIVEBGW-SJLPKXTDSA-N 2 1 288.479 3.923 20 0 CHADMP CC[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000532459625 1125392441 /nfs/dbraw/zinc/39/24/41/1125392441.db2.gz OFGZMISLUHCBMQ-JKSUJKDBSA-N 2 1 274.452 3.807 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000044533376 1125394144 /nfs/dbraw/zinc/39/41/44/1125394144.db2.gz MVGOTKWTUYGPKP-CXAGYDPISA-N 2 1 292.854 3.723 20 0 CHADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC2(F)F)[C@@H]1CCC[NH3+] ZINC000883436341 1125410350 /nfs/dbraw/zinc/41/03/50/1125410350.db2.gz QCTWGVRQMVDFJH-QLFBSQMISA-N 2 1 288.426 3.651 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CC1CCC(C)(C)CC1 ZINC000348235393 1125424815 /nfs/dbraw/zinc/42/48/15/1125424815.db2.gz ASXVKLYICQQYSD-CQSZACIVSA-N 2 1 277.456 3.634 20 0 CHADMP Cc1nccn1CCC[N@H+](C)Cc1cccc2ccccc21 ZINC000124952177 1125443155 /nfs/dbraw/zinc/44/31/55/1125443155.db2.gz AXTHSEGKGNJGDM-UHFFFAOYSA-N 2 1 293.414 3.867 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc2ccccc21 ZINC000124952177 1125443160 /nfs/dbraw/zinc/44/31/60/1125443160.db2.gz AXTHSEGKGNJGDM-UHFFFAOYSA-N 2 1 293.414 3.867 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc2ccccc21 ZINC000124952177 1125443163 /nfs/dbraw/zinc/44/31/63/1125443163.db2.gz AXTHSEGKGNJGDM-UHFFFAOYSA-N 2 1 293.414 3.867 20 0 CHADMP Cc1cccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)c1 ZINC000124983538 1125444268 /nfs/dbraw/zinc/44/42/68/1125444268.db2.gz RZODRXAVOQBMQC-ROUUACIJSA-N 2 1 272.436 3.616 20 0 CHADMP Cc1cccc([C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)c1 ZINC000124983538 1125444265 /nfs/dbraw/zinc/44/42/65/1125444265.db2.gz RZODRXAVOQBMQC-ROUUACIJSA-N 2 1 272.436 3.616 20 0 CHADMP Cc1cccc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)c1 ZINC000124983538 1125444269 /nfs/dbraw/zinc/44/42/69/1125444269.db2.gz RZODRXAVOQBMQC-ROUUACIJSA-N 2 1 272.436 3.616 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000348267281 1125453080 /nfs/dbraw/zinc/45/30/80/1125453080.db2.gz PUGGNPFLRWNURP-QZTJIDSGSA-N 2 1 272.436 3.602 20 0 CHADMP CSC(C)(C)C[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC001258320842 1129193987 /nfs/dbraw/zinc/19/39/87/1129193987.db2.gz FSKPCWIGSPUKBW-LSDHHAIUSA-N 2 1 286.529 3.761 20 0 CHADMP C[C@@H]1CCC[NH+]1CCCCCC[N@@H+]1CCC[C@H]1C ZINC000245434259 1129207531 /nfs/dbraw/zinc/20/75/31/1129207531.db2.gz CDZVNGRRTPCJPL-HZPDHXFCSA-N 2 1 252.446 3.515 20 0 CHADMP CC(C)CC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CCCC1 ZINC000167011629 1129227702 /nfs/dbraw/zinc/22/77/02/1129227702.db2.gz IWSQEGAVPANEPQ-HOTGVXAUSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000638303943 1129252329 /nfs/dbraw/zinc/25/23/29/1129252329.db2.gz WUZONRAEJOFUHV-YJLNNSPDSA-N 2 1 284.447 3.743 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000638303943 1129252332 /nfs/dbraw/zinc/25/23/32/1129252332.db2.gz WUZONRAEJOFUHV-YJLNNSPDSA-N 2 1 284.447 3.743 20 0 CHADMP c1ccc([C@H]2C[C@@H]([NH2+]C3CCCC3)CC[N@H+]2C2CC2)cc1 ZINC000638287288 1129252573 /nfs/dbraw/zinc/25/25/73/1129252573.db2.gz WBPGVRDMRGVALO-PKOBYXMFSA-N 2 1 284.447 3.887 20 0 CHADMP c1ccc([C@H]2C[C@@H]([NH2+]C3CCCC3)CC[N@@H+]2C2CC2)cc1 ZINC000638287288 1129252576 /nfs/dbraw/zinc/25/25/76/1129252576.db2.gz WBPGVRDMRGVALO-PKOBYXMFSA-N 2 1 284.447 3.887 20 0 CHADMP C1=CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638760990 1129269972 /nfs/dbraw/zinc/26/99/72/1129269972.db2.gz VBXOCDPBIIABCY-IEBWSBKVSA-N 2 1 282.431 3.663 20 0 CHADMP C1=CCC([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638760990 1129269975 /nfs/dbraw/zinc/26/99/75/1129269975.db2.gz VBXOCDPBIIABCY-IEBWSBKVSA-N 2 1 282.431 3.663 20 0 CHADMP CC1([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCC1 ZINC000638889564 1129273858 /nfs/dbraw/zinc/27/38/58/1129273858.db2.gz BYJBKNSIESKCMU-FUHWJXTLSA-N 2 1 284.447 3.887 20 0 CHADMP CC1([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCC1 ZINC000638889564 1129273860 /nfs/dbraw/zinc/27/38/60/1129273860.db2.gz BYJBKNSIESKCMU-FUHWJXTLSA-N 2 1 284.447 3.887 20 0 CHADMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000643508336 1129443815 /nfs/dbraw/zinc/44/38/15/1129443815.db2.gz NWHGYDUUJFXOBO-LLVKDONJSA-N 2 1 272.795 3.518 20 0 CHADMP CC[C@H](Cc1cccs1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000643511442 1129443928 /nfs/dbraw/zinc/44/39/28/1129443928.db2.gz PVYLKBHRKNATAK-GDBMZVCRSA-N 2 1 280.481 3.566 20 0 CHADMP CCC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000643528909 1129444509 /nfs/dbraw/zinc/44/45/09/1129444509.db2.gz QUBVXDZCIJBUKA-NOZJJQNGSA-N 2 1 275.223 3.771 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc2ccccc2n1 ZINC000643546060 1129445214 /nfs/dbraw/zinc/44/52/14/1129445214.db2.gz HQBUJWGMHWYQJV-GDBMZVCRSA-N 2 1 295.430 3.560 20 0 CHADMP CCCCC[C@H](CCC)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001258662572 1129471542 /nfs/dbraw/zinc/47/15/42/1129471542.db2.gz RDXOXJGURVPKPW-JKSUJKDBSA-N 2 1 254.462 3.809 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2ccccc2)CC[N@H+]1C ZINC000742374753 1129475518 /nfs/dbraw/zinc/47/55/18/1129475518.db2.gz FWUQJSRYXDZLSQ-LPHOPBHVSA-N 2 1 294.442 3.926 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)C1 ZINC000250520316 1129483441 /nfs/dbraw/zinc/48/34/41/1129483441.db2.gz SLSWYLUJORKMEP-ZJPYXAASSA-N 2 1 278.484 3.665 20 0 CHADMP CCCCC[C@H](CCC)[N@H+]1C[C@H]2CCCN(C)[C@H]2C1 ZINC001258673829 1129487985 /nfs/dbraw/zinc/48/79/85/1129487985.db2.gz PKARPPQRNSHRPU-IKGGRYGDSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2F)CC[N@@H+]1Cc1ccccc1 ZINC000645219883 1129492518 /nfs/dbraw/zinc/49/25/18/1129492518.db2.gz KLGDKVHTIXYVPM-HPBDAGMYSA-N 2 1 290.426 3.520 20 0 CHADMP C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2F)CC[N@H+]1Cc1ccccc1 ZINC000645219883 1129492521 /nfs/dbraw/zinc/49/25/21/1129492521.db2.gz KLGDKVHTIXYVPM-HPBDAGMYSA-N 2 1 290.426 3.520 20 0 CHADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2F)CC[N@@H+]1Cc1ccccc1 ZINC000645219884 1129492612 /nfs/dbraw/zinc/49/26/12/1129492612.db2.gz KLGDKVHTIXYVPM-OWLYRPNTSA-N 2 1 290.426 3.520 20 0 CHADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2F)CC[N@H+]1Cc1ccccc1 ZINC000645219884 1129492613 /nfs/dbraw/zinc/49/26/13/1129492613.db2.gz KLGDKVHTIXYVPM-OWLYRPNTSA-N 2 1 290.426 3.520 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001258696929 1129517562 /nfs/dbraw/zinc/51/75/62/1129517562.db2.gz IAOAFHCEXPYWPK-HZPDHXFCSA-N 2 1 266.473 3.619 20 0 CHADMP CC[N@@H+](C)C1CC[NH+]([C@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC001258705722 1129536835 /nfs/dbraw/zinc/53/68/35/1129536835.db2.gz YIIKRFXBEBCQEB-ZBFHGGJFSA-N 2 1 266.473 3.617 20 0 CHADMP F[C@]1(C[NH2+][C@@H]2CCCC3(CCCCC3)C2)CCC[NH2+]C1 ZINC001246183793 1131381797 /nfs/dbraw/zinc/38/17/97/1131381797.db2.gz UCLNSIVCBWYBMT-NVXWUHKLSA-N 2 1 282.447 3.561 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CCC(F)(F)CC2)c1 ZINC000647179687 1129554857 /nfs/dbraw/zinc/55/48/57/1129554857.db2.gz KYWNSCHDTXTSEV-UHFFFAOYSA-N 2 1 296.405 3.806 20 0 CHADMP Cc1ccc(C2([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)cc1 ZINC000647255314 1129561375 /nfs/dbraw/zinc/56/13/75/1129561375.db2.gz SWNMRIWULRJTAQ-ROUUACIJSA-N 2 1 284.447 3.591 20 0 CHADMP C[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344162 1129571807 /nfs/dbraw/zinc/57/18/07/1129571807.db2.gz KQPICJIEHNJIBG-WZGPROSRSA-N 2 1 286.463 3.500 20 0 CHADMP CCCC[C@H](CC)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344277 1129571865 /nfs/dbraw/zinc/57/18/65/1129571865.db2.gz NGVIOTHOCLTQDP-QYZOEREBSA-N 2 1 288.479 3.890 20 0 CHADMP CC(C)c1ccc([C@H](C)[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000181547338 1129578808 /nfs/dbraw/zinc/57/88/08/1129578808.db2.gz CYHGWEOOQUBSEB-HNNXBMFYSA-N 2 1 274.452 3.897 20 0 CHADMP CCC[N@@H+](Cc1ccccc1C1CC1)C1CC[NH2+]CC1 ZINC000647484466 1129579250 /nfs/dbraw/zinc/57/92/50/1129579250.db2.gz MTEIGIKAPDFQDR-UHFFFAOYSA-N 2 1 272.436 3.528 20 0 CHADMP CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)o2)CC[C@H]1[NH3+] ZINC000647497863 1129579924 /nfs/dbraw/zinc/57/99/24/1129579924.db2.gz YJUSKTJZPKYKIZ-RHSMWYFYSA-N 2 1 284.403 3.506 20 0 CHADMP C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000647874765 1129586069 /nfs/dbraw/zinc/58/60/69/1129586069.db2.gz WBLZCGCZVDBJKT-PKOBYXMFSA-N 2 1 294.442 3.859 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+](CC(C)C)C[C@@H]1CC[NH2+]C1 ZINC000647884875 1129586869 /nfs/dbraw/zinc/58/68/69/1129586869.db2.gz CIASHRVMHJOPBL-SJLPKXTDSA-N 2 1 274.452 3.705 20 0 CHADMP Clc1ccc(C[N@H+](C[C@H]2CC[NH2+]C2)C2CC2)cc1Cl ZINC000647881156 1129587089 /nfs/dbraw/zinc/58/70/89/1129587089.db2.gz IAEKZNUNOWLFFL-LBPRGKRZSA-N 2 1 299.245 3.567 20 0 CHADMP Clc1ccc(C[N@@H+](C[C@H]2CC[NH2+]C2)C2CC2)cc1Cl ZINC000647881156 1129587091 /nfs/dbraw/zinc/58/70/91/1129587091.db2.gz IAEKZNUNOWLFFL-LBPRGKRZSA-N 2 1 299.245 3.567 20 0 CHADMP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925767 1129587884 /nfs/dbraw/zinc/58/78/84/1129587884.db2.gz WUCBAWHCGVMWID-AWEZNQCLSA-N 2 1 266.816 3.604 20 0 CHADMP CCCCCC(C)(C)C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000766547650 1129684184 /nfs/dbraw/zinc/68/41/84/1129684184.db2.gz ARIIHVODTGRGDF-CVEARBPZSA-N 2 1 268.489 3.913 20 0 CHADMP Cc1ncc2n1CC[N@@H+]([C@@H](Cc1ccccc1)CC(C)C)C2 ZINC001169070422 1129695855 /nfs/dbraw/zinc/69/58/55/1129695855.db2.gz QGAKDFZXQWUQNX-GOSISDBHSA-N 2 1 297.446 3.665 20 0 CHADMP Cc1ncc2n1CC[N@H+]([C@@H](Cc1ccccc1)CC(C)C)C2 ZINC001169070422 1129695857 /nfs/dbraw/zinc/69/58/57/1129695857.db2.gz QGAKDFZXQWUQNX-GOSISDBHSA-N 2 1 297.446 3.665 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCc3ccc(Cl)cc31)C2 ZINC001169101361 1129697052 /nfs/dbraw/zinc/69/70/52/1129697052.db2.gz RYGKHKSADXPJGQ-PNBKFKSVSA-N 2 1 290.838 3.542 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc3ccccc31)C2 ZINC001169077960 1129697388 /nfs/dbraw/zinc/69/73/88/1129697388.db2.gz CKDFJJVMCLZJRS-NNZMDNLPSA-N 2 1 280.415 3.555 20 0 CHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccc(Cl)cc3)CC1)C2 ZINC001169082387 1129698182 /nfs/dbraw/zinc/69/81/82/1129698182.db2.gz ZBTFUENNEDDIII-PHZGNYQRSA-N 2 1 290.838 3.544 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccc(Cl)cc3)CC1)C2 ZINC001169082387 1129698185 /nfs/dbraw/zinc/69/81/85/1129698185.db2.gz ZBTFUENNEDDIII-PHZGNYQRSA-N 2 1 290.838 3.544 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(C)ccc1C ZINC001169118046 1129700661 /nfs/dbraw/zinc/70/06/61/1129700661.db2.gz CHDBQHLOVBOBGA-VXIBKDFQSA-N 2 1 286.463 3.969 20 0 CHADMP Cc1ccc([C@@H]2CCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169140453 1129701235 /nfs/dbraw/zinc/70/12/35/1129701235.db2.gz KCLXBIVOPWPEBR-MANSERQUSA-N 2 1 284.447 3.757 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169140453 1129701237 /nfs/dbraw/zinc/70/12/37/1129701237.db2.gz KCLXBIVOPWPEBR-MANSERQUSA-N 2 1 284.447 3.757 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169140453 1129701239 /nfs/dbraw/zinc/70/12/39/1129701239.db2.gz KCLXBIVOPWPEBR-MANSERQUSA-N 2 1 284.447 3.757 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCC[C@H](c3ccccc3)C1)C2 ZINC001169125322 1129701799 /nfs/dbraw/zinc/70/17/99/1129701799.db2.gz ZARAUTZXIKWTFU-FSGKZVOOSA-N 2 1 298.474 3.928 20 0 CHADMP Cc1cc([C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1Cl ZINC001169108059 1129703147 /nfs/dbraw/zinc/70/31/47/1129703147.db2.gz NPOWLZRLFQJEHH-HNKHHVNMSA-N 2 1 292.854 3.924 20 0 CHADMP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169115512 1129704463 /nfs/dbraw/zinc/70/44/63/1129704463.db2.gz KHZXEXSNKYPFTO-LUKYLMHMSA-N 2 1 272.436 3.579 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1c1cccc(F)c1)C2 ZINC001169142442 1129704774 /nfs/dbraw/zinc/70/47/74/1129704774.db2.gz USYUIFQTQFKZET-VSZNYVQBSA-N 2 1 288.410 3.588 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]1c1cccc(F)c1)C2 ZINC001169142442 1129704777 /nfs/dbraw/zinc/70/47/77/1129704777.db2.gz USYUIFQTQFKZET-VSZNYVQBSA-N 2 1 288.410 3.588 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]1c1cccc(F)c1)C2 ZINC001169142442 1129704779 /nfs/dbraw/zinc/70/47/79/1129704779.db2.gz USYUIFQTQFKZET-VSZNYVQBSA-N 2 1 288.410 3.588 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H]1C1CCCCC1)C2 ZINC001169153662 1129705474 /nfs/dbraw/zinc/70/54/74/1129705474.db2.gz KXKUQOPECWEXQY-MLHJIOFPSA-N 2 1 276.468 3.656 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]1C1CCCCC1)C2 ZINC001169153662 1129705475 /nfs/dbraw/zinc/70/54/75/1129705475.db2.gz KXKUQOPECWEXQY-MLHJIOFPSA-N 2 1 276.468 3.656 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H]1C1CCCCC1)C2 ZINC001169153662 1129705477 /nfs/dbraw/zinc/70/54/77/1129705477.db2.gz KXKUQOPECWEXQY-MLHJIOFPSA-N 2 1 276.468 3.656 20 0 CHADMP CC[NH+]1CCC([NH2+]C(C)(C)c2cccc(Cl)c2)CC1 ZINC001169233860 1129711328 /nfs/dbraw/zinc/71/13/28/1129711328.db2.gz XDDFOQQMSWCTDK-UHFFFAOYSA-N 2 1 280.843 3.649 20 0 CHADMP CC(C)[C@@H]1c2ccccc2CC[N@H+]1CCCc1c[nH+]cn1C ZINC000653570626 1129786085 /nfs/dbraw/zinc/78/60/85/1129786085.db2.gz XXQBTWHYFCWTSI-LJQANCHMSA-N 2 1 297.446 3.608 20 0 CHADMP CC(C)[C@@H]1c2ccccc2CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000653570626 1129786087 /nfs/dbraw/zinc/78/60/87/1129786087.db2.gz XXQBTWHYFCWTSI-LJQANCHMSA-N 2 1 297.446 3.608 20 0 CHADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)[C@H](C)C1CCCCC1 ZINC000653614102 1129788426 /nfs/dbraw/zinc/78/84/26/1129788426.db2.gz NYTYEGQADFRFHN-LSDHHAIUSA-N 2 1 277.456 3.547 20 0 CHADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCCCC1 ZINC000381644182 1129842961 /nfs/dbraw/zinc/84/29/61/1129842961.db2.gz ZRPFPESOHRGIEP-SJORKVTESA-N 2 1 264.457 3.563 20 0 CHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)[C@@H]2CCc3ccccc32)cc1 ZINC000768232540 1129845350 /nfs/dbraw/zinc/84/53/50/1129845350.db2.gz FDNSPMQXTBCBGI-HXUWFJFHSA-N 2 1 294.442 3.868 20 0 CHADMP Clc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903056195 1130105954 /nfs/dbraw/zinc/10/59/54/1130105954.db2.gz RLMPDQQCSBCNCM-ZXFUBFMLSA-N 2 1 290.838 3.587 20 0 CHADMP CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903066037 1130107524 /nfs/dbraw/zinc/10/75/24/1130107524.db2.gz KCVJSKMJUCXZKW-JLYLLQBASA-N 2 1 298.474 3.712 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccsc1 ZINC000903166586 1130122548 /nfs/dbraw/zinc/12/25/48/1130122548.db2.gz SWGLGIHPHWTAPH-DITUJHHDSA-N 2 1 276.449 3.557 20 0 CHADMP CC(C)(C)[C@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903189696 1130126751 /nfs/dbraw/zinc/12/67/51/1130126751.db2.gz GOUQPXNTPCZVQJ-HMGCCCKFSA-N 2 1 290.495 3.949 20 0 CHADMP CC(C)CCC[C@@H](C)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001170071422 1130142985 /nfs/dbraw/zinc/14/29/85/1130142985.db2.gz NMNBCWRMNOPVLC-MRXNPFEDSA-N 2 1 289.467 3.546 20 0 CHADMP CC(C)CCC[C@@H](C)[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001170079646 1130166539 /nfs/dbraw/zinc/16/65/39/1130166539.db2.gz FVFKJOWJIZGAGM-MRXNPFEDSA-N 2 1 278.484 3.619 20 0 CHADMP CC(C)CCC[C@@H](C)[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001170079646 1130166541 /nfs/dbraw/zinc/16/65/41/1130166541.db2.gz FVFKJOWJIZGAGM-MRXNPFEDSA-N 2 1 278.484 3.619 20 0 CHADMP CC(C)=CCC[C@H](C)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903383322 1130168935 /nfs/dbraw/zinc/16/89/35/1130168935.db2.gz LRLUGDFEYZPDOT-FUHWJXTLSA-N 2 1 289.467 3.799 20 0 CHADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Cl)cc3ccccc32)C1 ZINC000903447626 1130178678 /nfs/dbraw/zinc/17/86/78/1130178678.db2.gz ZZFFHKZQVQWAAZ-OCCSQVGLSA-N 2 1 288.822 3.662 20 0 CHADMP CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903473863 1130180190 /nfs/dbraw/zinc/18/01/90/1130180190.db2.gz APZFDXPJDAMYPZ-XOKHGSTOSA-N 2 1 290.426 3.521 20 0 CHADMP C[C@@H](C1CC1)[N@H+](Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC000788475695 1130189420 /nfs/dbraw/zinc/18/94/20/1130189420.db2.gz RNLIZJRHOOLAQU-INIZCTEOSA-N 2 1 286.463 3.629 20 0 CHADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903889985 1130208722 /nfs/dbraw/zinc/20/87/22/1130208722.db2.gz XCUDRAKLLCUUTK-XHSDSOJGSA-N 2 1 296.405 3.627 20 0 CHADMP CCC[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1ccc(C)cc1 ZINC001254513955 1130257930 /nfs/dbraw/zinc/25/79/30/1130257930.db2.gz HMGRXGMXELUSJY-ZWKOTPCHSA-N 2 1 274.452 3.910 20 0 CHADMP C[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(c3cccc(Cl)c3)CC2)C1 ZINC001170119610 1130275031 /nfs/dbraw/zinc/27/50/31/1130275031.db2.gz ZCZVSHRMADFLMK-CJNGLKHVSA-N 2 1 292.854 3.778 20 0 CHADMP C[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(c3ccccc3Cl)CC2)C1 ZINC001170122989 1130283881 /nfs/dbraw/zinc/28/38/81/1130283881.db2.gz RJMWZHRXXKCZQM-KGLIPLIRSA-N 2 1 292.854 3.778 20 0 CHADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001170151614 1130359439 /nfs/dbraw/zinc/35/94/39/1130359439.db2.gz GVHCDLLEFGFZKW-YZGWKJHDSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@@H]1CC[C@H]([NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001170151614 1130359450 /nfs/dbraw/zinc/35/94/50/1130359450.db2.gz GVHCDLLEFGFZKW-YZGWKJHDSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@@H]1CC[C@H]([NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001170151614 1130359455 /nfs/dbraw/zinc/35/94/55/1130359455.db2.gz GVHCDLLEFGFZKW-YZGWKJHDSA-N 2 1 298.474 3.773 20 0 CHADMP CCCC[C@H](CC)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000678359285 1130407892 /nfs/dbraw/zinc/40/78/92/1130407892.db2.gz CURQFRJTYBVPAA-BBWFWOEESA-N 2 1 266.473 3.809 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000678776498 1130453914 /nfs/dbraw/zinc/45/39/14/1130453914.db2.gz GAJHQLLQWAQNMV-ROUUACIJSA-N 2 1 272.436 3.602 20 0 CHADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCO[C@H](CC)C1 ZINC001170189505 1130456405 /nfs/dbraw/zinc/45/64/05/1130456405.db2.gz BWTPNPBEVLEWDZ-VDHUWJSZSA-N 2 1 296.499 3.705 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CC(C)(C)c2ccccc2)[C@@H](C)C1 ZINC000678835680 1130462967 /nfs/dbraw/zinc/46/29/67/1130462967.db2.gz NNEAJHDLKVSDGL-FUHWJXTLSA-N 2 1 288.479 3.626 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CC(C)(C)c2ccccc2)[C@@H](C)C1 ZINC000678835680 1130462973 /nfs/dbraw/zinc/46/29/73/1130462973.db2.gz NNEAJHDLKVSDGL-FUHWJXTLSA-N 2 1 288.479 3.626 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC(C)(C)c2ccccc2)[C@@H](C)C1 ZINC000678835680 1130462978 /nfs/dbraw/zinc/46/29/78/1130462978.db2.gz NNEAJHDLKVSDGL-FUHWJXTLSA-N 2 1 288.479 3.626 20 0 CHADMP CCC(CC)(CC)C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000679840902 1130559938 /nfs/dbraw/zinc/55/99/38/1130559938.db2.gz PXYBYNUWFVYNFG-MRXNPFEDSA-N 2 1 268.489 3.913 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3cnccc32)C[C@H]1C ZINC000679990548 1130568489 /nfs/dbraw/zinc/56/84/89/1130568489.db2.gz VEPYPQYFZSTHCC-QAPCUYQASA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3cnccc32)C[C@H]1C ZINC000679990548 1130568494 /nfs/dbraw/zinc/56/84/94/1130568494.db2.gz VEPYPQYFZSTHCC-QAPCUYQASA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3cnccc32)C[C@H]1C ZINC000679990548 1130568499 /nfs/dbraw/zinc/56/84/99/1130568499.db2.gz VEPYPQYFZSTHCC-QAPCUYQASA-N 2 1 297.446 3.539 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234994225 1130700827 /nfs/dbraw/zinc/70/08/27/1130700827.db2.gz QIHIQJLUMKZUEK-MSOLQXFVSA-N 2 1 278.484 3.835 20 0 CHADMP C[C@H](C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)c1cccc2ccccc21 ZINC001235033276 1130703358 /nfs/dbraw/zinc/70/33/58/1130703358.db2.gz XBJLMLOFNMRNFW-UZLBHIALSA-N 2 1 294.442 3.629 20 0 CHADMP C(CC1CCCCC1)C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235038331 1130704409 /nfs/dbraw/zinc/70/44/09/1130704409.db2.gz GVGPMZPAPOJMJU-GOSISDBHSA-N 2 1 278.484 3.955 20 0 CHADMP c1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c2cccccc1-2 ZINC001235039654 1130704736 /nfs/dbraw/zinc/70/47/36/1130704736.db2.gz OZBSBTSJVLTZAJ-FQEVSTJZSA-N 2 1 294.442 3.900 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235039901 1130705351 /nfs/dbraw/zinc/70/53/51/1130705351.db2.gz JDCIVUFJSSVGOC-QZTJIDSGSA-N 2 1 278.484 3.977 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c(Cl)c1 ZINC001235043750 1130706475 /nfs/dbraw/zinc/70/64/75/1130706475.db2.gz GXXCHFYUCYJIGO-KRWDZBQOSA-N 2 1 292.854 3.757 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c(Cl)c1 ZINC001235043750 1130706481 /nfs/dbraw/zinc/70/64/81/1130706481.db2.gz GXXCHFYUCYJIGO-KRWDZBQOSA-N 2 1 292.854 3.757 20 0 CHADMP c1ccc(C2CC2)c(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235046505 1130706513 /nfs/dbraw/zinc/70/65/13/1130706513.db2.gz QTZMQCAMBSZZAV-LJQANCHMSA-N 2 1 284.447 3.672 20 0 CHADMP c1cc2cccc(C[N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)c2o1 ZINC001235158665 1130715911 /nfs/dbraw/zinc/71/59/11/1130715911.db2.gz VDLFLWIXECJNJC-GOSISDBHSA-N 2 1 298.430 3.787 20 0 CHADMP c1ccc(C2CC2)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235160817 1130716228 /nfs/dbraw/zinc/71/62/28/1130716228.db2.gz ZLKFWAKUOARSDW-HXUWFJFHSA-N 2 1 298.474 3.918 20 0 CHADMP Cc1ccc2[nH]cc(C[N@@H+]3CCCC[C@]34CCC[NH2+]C4)c2c1 ZINC001235172421 1130717283 /nfs/dbraw/zinc/71/72/83/1130717283.db2.gz MOYYKGWLUNAXQP-LJQANCHMSA-N 2 1 297.446 3.584 20 0 CHADMP Cc1ccc2[nH]cc(C[N@H+]3CCCC[C@]34CCC[NH2+]C4)c2c1 ZINC001235172421 1130717286 /nfs/dbraw/zinc/71/72/86/1130717286.db2.gz MOYYKGWLUNAXQP-LJQANCHMSA-N 2 1 297.446 3.584 20 0 CHADMP CC(C)c1ccc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1 ZINC001235176302 1130719695 /nfs/dbraw/zinc/71/96/95/1130719695.db2.gz ZZNNDWYTCMPMGF-IBGZPJMESA-N 2 1 286.463 3.918 20 0 CHADMP CC(C)c1ccc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1 ZINC001235176302 1130719698 /nfs/dbraw/zinc/71/96/98/1130719698.db2.gz ZZNNDWYTCMPMGF-IBGZPJMESA-N 2 1 286.463 3.918 20 0 CHADMP Cc1cccc(C[N@@H+]2CCCCC23CC[NH2+]CC3)c1Cl ZINC001235189996 1130720774 /nfs/dbraw/zinc/72/07/74/1130720774.db2.gz BWOPHIGHUCYXQE-UHFFFAOYSA-N 2 1 292.854 3.757 20 0 CHADMP Cc1cccc(C[N@H+]2CCCCC23CC[NH2+]CC3)c1Cl ZINC001235189996 1130720776 /nfs/dbraw/zinc/72/07/76/1130720776.db2.gz BWOPHIGHUCYXQE-UHFFFAOYSA-N 2 1 292.854 3.757 20 0 CHADMP C[C@@H](c1ccccc1)[N@@H+](CCC1C[NH2+]C1)Cc1ccccc1 ZINC001235350823 1130736305 /nfs/dbraw/zinc/73/63/05/1130736305.db2.gz URYZDVHMMJWQDV-KRWDZBQOSA-N 2 1 294.442 3.859 20 0 CHADMP CC/C=C\CCCCC[N@H+]1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001235398660 1130739410 /nfs/dbraw/zinc/73/94/10/1130739410.db2.gz WWARKGADRJOZIQ-HFZJXRFXSA-N 2 1 282.447 3.522 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235402325 1130739624 /nfs/dbraw/zinc/73/96/24/1130739624.db2.gz IWNDTQHDWOOAOA-OPCNFVSTSA-N 2 1 282.447 3.537 20 0 CHADMP CC1(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CCCCC1 ZINC001235423460 1130741576 /nfs/dbraw/zinc/74/15/76/1130741576.db2.gz GQZYRXWYWKPXAF-IAGOWNOFSA-N 2 1 278.484 3.668 20 0 CHADMP Clc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235424838 1130742036 /nfs/dbraw/zinc/74/20/36/1130742036.db2.gz KODAWSSPOXLUDZ-CVEARBPZSA-N 2 1 292.854 3.552 20 0 CHADMP C[C@H](C[N@@H+](C)C1CC[NH2+]CC1)c1cccc2ccccc21 ZINC001235471325 1130746609 /nfs/dbraw/zinc/74/66/09/1130746609.db2.gz DPTHYJGHIKMKPF-OAHLLOKOSA-N 2 1 282.431 3.627 20 0 CHADMP C[N@@H+](Cc1cccc(-c2ccc(F)cc2)c1)C1CC[NH2+]CC1 ZINC001235471440 1130747335 /nfs/dbraw/zinc/74/73/35/1130747335.db2.gz FNQBUVVGFLTNLF-UHFFFAOYSA-N 2 1 298.405 3.677 20 0 CHADMP Cc1ccc([C@@H](C)[N@@H+](C)CC2CC[NH+](C)CC2)c(C)c1 ZINC000782182845 1130758184 /nfs/dbraw/zinc/75/81/84/1130758184.db2.gz FVRRPBQMLZAJAN-MRXNPFEDSA-N 2 1 274.452 3.638 20 0 CHADMP C[C@H](C1CC1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000782189900 1130759630 /nfs/dbraw/zinc/75/96/30/1130759630.db2.gz JOGMKJQMHAXSCS-AHRSYUTCSA-N 2 1 298.474 3.771 20 0 CHADMP C[C@H](C1CC1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000782189900 1130759636 /nfs/dbraw/zinc/75/96/36/1130759636.db2.gz JOGMKJQMHAXSCS-AHRSYUTCSA-N 2 1 298.474 3.771 20 0 CHADMP C[C@H](C1CC1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000782189900 1130759642 /nfs/dbraw/zinc/75/96/42/1130759642.db2.gz JOGMKJQMHAXSCS-AHRSYUTCSA-N 2 1 298.474 3.771 20 0 CHADMP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000782192213 1130760636 /nfs/dbraw/zinc/76/06/36/1130760636.db2.gz YYTLLSIUTLMRDF-CXAGYDPISA-N 2 1 292.854 3.601 20 0 CHADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000782192213 1130760638 /nfs/dbraw/zinc/76/06/38/1130760638.db2.gz YYTLLSIUTLMRDF-CXAGYDPISA-N 2 1 292.854 3.601 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000782192213 1130760644 /nfs/dbraw/zinc/76/06/44/1130760644.db2.gz YYTLLSIUTLMRDF-CXAGYDPISA-N 2 1 292.854 3.601 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000782192213 1130760648 /nfs/dbraw/zinc/76/06/48/1130760648.db2.gz YYTLLSIUTLMRDF-CXAGYDPISA-N 2 1 292.854 3.601 20 0 CHADMP CC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000782192214 1130761535 /nfs/dbraw/zinc/76/15/35/1130761535.db2.gz YYTLLSIUTLMRDF-DYVFJYSZSA-N 2 1 292.854 3.601 20 0 CHADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000782192214 1130761539 /nfs/dbraw/zinc/76/15/39/1130761539.db2.gz YYTLLSIUTLMRDF-DYVFJYSZSA-N 2 1 292.854 3.601 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000782192214 1130761544 /nfs/dbraw/zinc/76/15/44/1130761544.db2.gz YYTLLSIUTLMRDF-DYVFJYSZSA-N 2 1 292.854 3.601 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000782192214 1130761549 /nfs/dbraw/zinc/76/15/49/1130761549.db2.gz YYTLLSIUTLMRDF-DYVFJYSZSA-N 2 1 292.854 3.601 20 0 CHADMP CC1(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC001235675527 1130765737 /nfs/dbraw/zinc/76/57/37/1130765737.db2.gz YSCMTXYAQURTSR-INIZCTEOSA-N 2 1 292.854 3.867 20 0 CHADMP c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001235674825 1130765771 /nfs/dbraw/zinc/76/57/71/1130765771.db2.gz PUVNYYDFHVEKRO-IBGZPJMESA-N 2 1 278.399 3.627 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CCCC[C@@H]1c1ccccc1F ZINC001235678214 1130768879 /nfs/dbraw/zinc/76/88/79/1130768879.db2.gz KYARWMWVCXWDAY-QGZVFWFLSA-N 2 1 278.415 3.872 20 0 CHADMP c1ccc([C@H]2CCC[N@H+]2CCC[NH2+]C2CCCCC2)nc1 ZINC001235694269 1130770353 /nfs/dbraw/zinc/77/03/53/1130770353.db2.gz AUNAFYWDIKAFHA-GOSISDBHSA-N 2 1 287.451 3.531 20 0 CHADMP c1ccc([C@H]2CCC[N@@H+]2CCC[NH2+]C2CCCCC2)nc1 ZINC001235694269 1130770356 /nfs/dbraw/zinc/77/03/56/1130770356.db2.gz AUNAFYWDIKAFHA-GOSISDBHSA-N 2 1 287.451 3.531 20 0 CHADMP Cc1ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)c2ccccc12 ZINC001235716961 1130770972 /nfs/dbraw/zinc/77/09/72/1130770972.db2.gz PFDIHGPKDDNZCG-UHFFFAOYSA-N 2 1 296.458 3.970 20 0 CHADMP [NH3+]Cc1cccc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)c1 ZINC001235713553 1130771131 /nfs/dbraw/zinc/77/11/31/1130771131.db2.gz CUMPWDVCYPIXQB-GOSISDBHSA-N 2 1 284.378 3.622 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235712368 1130771204 /nfs/dbraw/zinc/77/12/04/1130771204.db2.gz AQQZAHXQMZXVPS-MRXNPFEDSA-N 2 1 266.473 3.690 20 0 CHADMP CC[NH2+]C1CC[NH+](Cc2ccc(C(C)(C)CC)cc2)CC1 ZINC001235727512 1130772884 /nfs/dbraw/zinc/77/28/84/1130772884.db2.gz YJTWETIIPFUWKF-UHFFFAOYSA-N 2 1 288.479 3.948 20 0 CHADMP C[N@H+](Cc1ccc(Cl)cc1)CC1CC2(C1)CC[NH2+]CC2 ZINC001235718504 1130773875 /nfs/dbraw/zinc/77/38/75/1130773875.db2.gz JAJBNWJPVDMIOH-UHFFFAOYSA-N 2 1 292.854 3.552 20 0 CHADMP Cc1cccc(C)c1-c1cccc(C[N@@H+]2CCC[C@H]2C[NH3+])c1 ZINC001235723759 1130774318 /nfs/dbraw/zinc/77/43/18/1130774318.db2.gz ANNUAGKFXNDYLO-IBGZPJMESA-N 2 1 294.442 3.894 20 0 CHADMP Cc1cccc(C)c1-c1cccc(C[N@H+]2CCC[C@H]2C[NH3+])c1 ZINC001235723759 1130774321 /nfs/dbraw/zinc/77/43/21/1130774321.db2.gz ANNUAGKFXNDYLO-IBGZPJMESA-N 2 1 294.442 3.894 20 0 CHADMP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)ccc1Oc1ccccc1 ZINC001235749593 1130776667 /nfs/dbraw/zinc/77/66/67/1130776667.db2.gz IJJUXKQOPLIACQ-QGZVFWFLSA-N 2 1 296.414 3.568 20 0 CHADMP C[N@H+](Cc1cccc(-c2ccc(F)cc2)c1)C[C@@H]1CC[NH2+]C1 ZINC001235841689 1130786961 /nfs/dbraw/zinc/78/69/61/1130786961.db2.gz HJSDLWYRLBICJU-MRXNPFEDSA-N 2 1 298.405 3.534 20 0 CHADMP C[N@H+](Cc1ccccc1-c1ccc(F)cc1)C[C@H]1CC[NH2+]C1 ZINC001235843630 1130787259 /nfs/dbraw/zinc/78/72/59/1130787259.db2.gz ZYRYYAYTCVUJOR-HNNXBMFYSA-N 2 1 298.405 3.534 20 0 CHADMP CCCCCCc1csc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)c1 ZINC001235840613 1130787627 /nfs/dbraw/zinc/78/76/27/1130787627.db2.gz QNQKWGBSOVFVJR-MRXNPFEDSA-N 2 1 294.508 3.912 20 0 CHADMP CC1(C)[C@@H]2C[C@H]([NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001170715379 1130795383 /nfs/dbraw/zinc/79/53/83/1130795383.db2.gz GZPYSHJIYVZGBC-AKHDSKFASA-N 2 1 298.474 3.533 20 0 CHADMP C[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000783221752 1130802773 /nfs/dbraw/zinc/80/27/73/1130802773.db2.gz HQGRMELHEZECKZ-GJYPPUQNSA-N 2 1 286.463 3.807 20 0 CHADMP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccccc1-c1ccccc1 ZINC001235906862 1130803207 /nfs/dbraw/zinc/80/32/07/1130803207.db2.gz OZXZIDCWXSTSBK-MAUKXSAKSA-N 2 1 280.415 3.665 20 0 CHADMP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccccc1-c1ccccc1 ZINC001235906862 1130803210 /nfs/dbraw/zinc/80/32/10/1130803210.db2.gz OZXZIDCWXSTSBK-MAUKXSAKSA-N 2 1 280.415 3.665 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000783244022 1130806258 /nfs/dbraw/zinc/80/62/58/1130806258.db2.gz RJQZFVFOAAQQBE-HGTKMLMNSA-N 2 1 278.465 3.519 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000783244022 1130806262 /nfs/dbraw/zinc/80/62/62/1130806262.db2.gz RJQZFVFOAAQQBE-HGTKMLMNSA-N 2 1 278.465 3.519 20 0 CHADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235925705 1130806443 /nfs/dbraw/zinc/80/64/43/1130806443.db2.gz XWMPOXSKZHFRKB-AWEZNQCLSA-N 2 1 299.462 3.779 20 0 CHADMP c1ccc([C@H]2CC[N@H+]2CCC[NH2+]C2CCCCC2)cc1 ZINC001235949522 1130814175 /nfs/dbraw/zinc/81/41/75/1130814175.db2.gz NUEOEJZTLPUZDS-GOSISDBHSA-N 2 1 272.436 3.746 20 0 CHADMP c1ccc([C@H]2CC[N@@H+]2CCC[NH2+]C2CCCCC2)cc1 ZINC001235949522 1130814178 /nfs/dbraw/zinc/81/41/78/1130814178.db2.gz NUEOEJZTLPUZDS-GOSISDBHSA-N 2 1 272.436 3.746 20 0 CHADMP Cc1ccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c2ccccc12 ZINC001235952474 1130814636 /nfs/dbraw/zinc/81/46/36/1130814636.db2.gz XVVUOXAGHXEFFN-INIZCTEOSA-N 2 1 282.431 3.580 20 0 CHADMP CC[C@@H](c1ccccc1)[N@@H+](C)Cc1cccc(C[NH3+])c1 ZINC001235960972 1130818046 /nfs/dbraw/zinc/81/80/46/1130818046.db2.gz ZWPBZIVGIOKRMD-SFHVURJKSA-N 2 1 268.404 3.728 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+](C)CC[C@H]1CCCC[NH2+]1 ZINC001235960670 1130818489 /nfs/dbraw/zinc/81/84/89/1130818489.db2.gz WTYMWAJISIBTCF-IAGOWNOFSA-N 2 1 260.425 3.602 20 0 CHADMP CC[C@@H](c1ccccc1)[N@@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC001235960672 1130819688 /nfs/dbraw/zinc/81/96/88/1130819688.db2.gz WTYMWAJISIBTCF-IRXDYDNUSA-N 2 1 260.425 3.602 20 0 CHADMP CCC(CC)C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235971782 1130821612 /nfs/dbraw/zinc/82/16/12/1130821612.db2.gz AKPJVWVAXIJUHZ-UHFFFAOYSA-N 2 1 286.463 3.560 20 0 CHADMP C[N@@H+](CCC1CC[NH2+]CC1)C1CCC(C(C)(C)C)CC1 ZINC001236007911 1130831440 /nfs/dbraw/zinc/83/14/40/1130831440.db2.gz FPUWFBOKNZEDST-UHFFFAOYSA-N 2 1 280.500 3.913 20 0 CHADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001236046406 1130836867 /nfs/dbraw/zinc/83/68/67/1130836867.db2.gz GGPOLPFVGNTJHF-CRAIPNDOSA-N 2 1 280.415 3.523 20 0 CHADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001236046406 1130836872 /nfs/dbraw/zinc/83/68/72/1130836872.db2.gz GGPOLPFVGNTJHF-CRAIPNDOSA-N 2 1 280.415 3.523 20 0 CHADMP C[C@H]1C[C@@H]([NH3+])C[N@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC001236044873 1130837211 /nfs/dbraw/zinc/83/72/11/1130837211.db2.gz AQXQNHUZUPZECV-DZGCQCFKSA-N 2 1 294.398 3.755 20 0 CHADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC001236044873 1130837216 /nfs/dbraw/zinc/83/72/16/1130837216.db2.gz AQXQNHUZUPZECV-DZGCQCFKSA-N 2 1 294.398 3.755 20 0 CHADMP C[C@H]1C[C@H]([NH3+])C[N@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC001236044880 1130837863 /nfs/dbraw/zinc/83/78/63/1130837863.db2.gz AQXQNHUZUPZECV-ZFWWWQNUSA-N 2 1 294.398 3.755 20 0 CHADMP C[C@H]1C[C@H]([NH3+])C[N@@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC001236044880 1130837866 /nfs/dbraw/zinc/83/78/66/1130837866.db2.gz AQXQNHUZUPZECV-ZFWWWQNUSA-N 2 1 294.398 3.755 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1C[C@@H](C)C[C@H]([NH3+])C1 ZINC001236049865 1130838559 /nfs/dbraw/zinc/83/85/59/1130838559.db2.gz QZIOGPIHUXMEIT-YJBOKZPZSA-N 2 1 294.442 3.831 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1C[C@@H](C)C[C@H]([NH3+])C1 ZINC001236049865 1130838564 /nfs/dbraw/zinc/83/85/64/1130838564.db2.gz QZIOGPIHUXMEIT-YJBOKZPZSA-N 2 1 294.442 3.831 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3C[C@H]([NH3+])C[C@H](C)C3)cc2)c1 ZINC001236052010 1130840141 /nfs/dbraw/zinc/84/01/41/1130840141.db2.gz ZHQUKRXOZHEUSY-OXJNMPFZSA-N 2 1 294.442 3.831 20 0 CHADMP Cc1cccc(-c2ccc(C[N@@H+]3C[C@H]([NH3+])C[C@H](C)C3)cc2)c1 ZINC001236052010 1130840147 /nfs/dbraw/zinc/84/01/47/1130840147.db2.gz ZHQUKRXOZHEUSY-OXJNMPFZSA-N 2 1 294.442 3.831 20 0 CHADMP CCCCCCc1ccc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)s1 ZINC001236065494 1130845485 /nfs/dbraw/zinc/84/54/85/1130845485.db2.gz ASXMFRMMPCSYCS-HNNXBMFYSA-N 2 1 294.508 3.912 20 0 CHADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](C)Cc2ccc(C(C)C)cc2)C1 ZINC001236066775 1130845662 /nfs/dbraw/zinc/84/56/62/1130845662.db2.gz JMNBMUGIUVKIIC-FUHWJXTLSA-N 2 1 288.479 3.530 20 0 CHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2C)C1 ZINC001236067898 1130846377 /nfs/dbraw/zinc/84/63/77/1130846377.db2.gz RKLHDEDMIFYFQW-KRWDZBQOSA-N 2 1 294.442 3.703 20 0 CHADMP C[NH2+]CCC[N@@H+](C)CCC(c1ccccc1)c1ccccc1 ZINC001236092670 1130857335 /nfs/dbraw/zinc/85/73/35/1130857335.db2.gz OGAHTLSVFQRHEH-UHFFFAOYSA-N 2 1 296.458 3.750 20 0 CHADMP CC(C)=CCCC1=CC[C@@H](C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC001236094105 1130857601 /nfs/dbraw/zinc/85/76/01/1130857601.db2.gz NSZMWWQBSUMOJK-NXHRZFHOSA-N 2 1 276.468 3.738 20 0 CHADMP C[C@H]1C[N@H+](Cc2cccc(-c3ccsc3)c2)CCC[NH2+]1 ZINC001236094455 1130858406 /nfs/dbraw/zinc/85/84/06/1130858406.db2.gz FOQCDRCGCARPND-AWEZNQCLSA-N 2 1 286.444 3.599 20 0 CHADMP C[C@H]1C[N@@H+](Cc2cccc(-c3ccsc3)c2)CCC[NH2+]1 ZINC001236094455 1130858415 /nfs/dbraw/zinc/85/84/15/1130858415.db2.gz FOQCDRCGCARPND-AWEZNQCLSA-N 2 1 286.444 3.599 20 0 CHADMP CCC(C)(C)c1ccc(C[N@@H+](C)CCCC[NH3+])cc1 ZINC001236142515 1130874038 /nfs/dbraw/zinc/87/40/38/1130874038.db2.gz XUFQSORLDNONGB-UHFFFAOYSA-N 2 1 262.441 3.545 20 0 CHADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]C2)C(C)(C)Cc1ccccc1 ZINC001236155111 1130877203 /nfs/dbraw/zinc/87/72/03/1130877203.db2.gz GIYGHXPDGZZXEQ-UHFFFAOYSA-N 2 1 294.442 3.743 20 0 CHADMP CCC[N@@H+](Cc1ccc(C2CCC2)cc1)C1CC[NH2+]CC1 ZINC001236184416 1130882631 /nfs/dbraw/zinc/88/26/31/1130882631.db2.gz LDPWWWDXNJVRRC-UHFFFAOYSA-N 2 1 286.463 3.918 20 0 CHADMP CC[N@@H+](Cc1cccc(Cl)c1)Cc1cccc(C[NH3+])c1 ZINC001236196334 1130884979 /nfs/dbraw/zinc/88/49/79/1130884979.db2.gz XUVDNPXWWAHWFG-UHFFFAOYSA-N 2 1 288.822 3.821 20 0 CHADMP CC[N@@H+](CC[C@H]1CCCC[NH2+]1)Cc1cccc(Cl)c1 ZINC001236193195 1130885158 /nfs/dbraw/zinc/88/51/58/1130885158.db2.gz JBTCIUIHFKTCDH-MRXNPFEDSA-N 2 1 280.843 3.694 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)CC[C@H]2CC=C(C)C2(C)C)CC1 ZINC001236212659 1130890059 /nfs/dbraw/zinc/89/00/59/1130890059.db2.gz KYSDYHFKPSPYDA-KLAILNCOSA-N 2 1 278.484 3.831 20 0 CHADMP CCCCOc1cccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236214201 1130891044 /nfs/dbraw/zinc/89/10/44/1130891044.db2.gz CRLRAHGUOPXRIP-ZWKOTPCHSA-N 2 1 290.451 3.567 20 0 CHADMP CCCCOc1cccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236214201 1130891051 /nfs/dbraw/zinc/89/10/51/1130891051.db2.gz CRLRAHGUOPXRIP-ZWKOTPCHSA-N 2 1 290.451 3.567 20 0 CHADMP CC(C)c1cccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236214068 1130891359 /nfs/dbraw/zinc/89/13/59/1130891359.db2.gz DUKJBQMQIXDRBZ-DLBZAZTESA-N 2 1 260.425 3.512 20 0 CHADMP CC(C)c1cccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236214068 1130891362 /nfs/dbraw/zinc/89/13/62/1130891362.db2.gz DUKJBQMQIXDRBZ-DLBZAZTESA-N 2 1 260.425 3.512 20 0 CHADMP C[N@H+](Cc1c[nH]c2c1cccc2Cl)[C@H]1CCCC[C@H]1[NH3+] ZINC001236214723 1130891444 /nfs/dbraw/zinc/89/14/44/1130891444.db2.gz DWSNVQLURBLEJU-CABCVRRESA-N 2 1 291.826 3.523 20 0 CHADMP C[N@@H+](Cc1c[nH]c2c1cccc2Cl)[C@H]1CCCC[C@H]1[NH3+] ZINC001236214723 1130891449 /nfs/dbraw/zinc/89/14/49/1130891449.db2.gz DWSNVQLURBLEJU-CABCVRRESA-N 2 1 291.826 3.523 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2c(C)cccc2Cl)CC1 ZINC001236212633 1130891492 /nfs/dbraw/zinc/89/14/92/1130891492.db2.gz JXOYSOCNTKSBIZ-UHFFFAOYSA-N 2 1 280.843 3.611 20 0 CHADMP CCc1cc(C[N@@H+](C)C2CCC([NH2+]C)CC2)ccc1Cl ZINC001236216000 1130892863 /nfs/dbraw/zinc/89/28/63/1130892863.db2.gz VJVICFABDLLUNM-UHFFFAOYSA-N 2 1 294.870 3.865 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+](C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236220913 1130894585 /nfs/dbraw/zinc/89/45/85/1130894585.db2.gz AFWNSRHDNPKDKB-HDJSIYSDSA-N 2 1 288.460 3.911 20 0 CHADMP CC/C=C\CCCCCC[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236223397 1130896874 /nfs/dbraw/zinc/89/68/74/1130896874.db2.gz NJEHQZWXJGOSNX-WAYWQWQTSA-N 2 1 266.473 3.977 20 0 CHADMP CC1(C)[C@@H]2C[C@H]([N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)C[C@@H]21 ZINC001170758853 1130900384 /nfs/dbraw/zinc/90/03/84/1130900384.db2.gz YDCDXMIHMZICCS-FJIDUMEYSA-N 2 1 290.495 3.761 20 0 CHADMP CC[N@@H+](CCCCC[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC001236239989 1130901693 /nfs/dbraw/zinc/90/16/93/1130901693.db2.gz KMOZRMHIZJKJMC-UHFFFAOYSA-N 2 1 288.357 3.656 20 0 CHADMP c1ccc(Oc2ccc(C[NH+]3CCC[NH2+]CCC3)cc2)cc1 ZINC001236238785 1130901822 /nfs/dbraw/zinc/90/18/22/1130901822.db2.gz BTEYHUZFIMAJFR-UHFFFAOYSA-N 2 1 296.414 3.664 20 0 CHADMP CC(C)(C[N@@H+]1CCC[C@@H]1C[NH3+])Sc1ccc(Cl)cc1 ZINC001236245167 1130903254 /nfs/dbraw/zinc/90/32/54/1130903254.db2.gz PXOXWYXLVRYUAX-CYBMUJFWSA-N 2 1 298.883 3.634 20 0 CHADMP CC(C)(C[N@H+]1CCC[C@@H]1C[NH3+])Sc1ccc(Cl)cc1 ZINC001236245167 1130903259 /nfs/dbraw/zinc/90/32/59/1130903259.db2.gz PXOXWYXLVRYUAX-CYBMUJFWSA-N 2 1 298.883 3.634 20 0 CHADMP CC/C=C\CC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373276 1130923597 /nfs/dbraw/zinc/92/35/97/1130923597.db2.gz VVWBOTRVLRWILT-QGZUEGPWSA-N 2 1 264.457 3.587 20 0 CHADMP CCC[C@@H](C)C[N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236402315 1130929012 /nfs/dbraw/zinc/92/90/12/1130929012.db2.gz XYFRUWBBIYDPEP-OAHLLOKOSA-N 2 1 292.442 3.816 20 0 CHADMP CC[N@@H+](CC[C@@H](C)CCC=C(C)C)C[C@@H]1CC[NH2+]C1 ZINC001236407943 1130931264 /nfs/dbraw/zinc/93/12/64/1130931264.db2.gz JRKVCOFXYYMFEN-DLBZAZTESA-N 2 1 266.473 3.690 20 0 CHADMP CC[N@@H+](CC[C@H](C)CCC=C(C)C)C[C@@H]1CC[NH2+]C1 ZINC001236407944 1130931559 /nfs/dbraw/zinc/93/15/59/1130931559.db2.gz JRKVCOFXYYMFEN-IAGOWNOFSA-N 2 1 266.473 3.690 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H](C)Cc1ccc(C(C)C)cc1 ZINC001236417798 1130935246 /nfs/dbraw/zinc/93/52/46/1130935246.db2.gz FSDUIVOCAGMKEM-VQIMIIECSA-N 2 1 288.479 3.672 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H](C)Cc1ccc(C(C)C)cc1 ZINC001236417798 1130935251 /nfs/dbraw/zinc/93/52/51/1130935251.db2.gz FSDUIVOCAGMKEM-VQIMIIECSA-N 2 1 288.479 3.672 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+]1CCC[C@@H]([NH3+])[C@H]1C ZINC001236421962 1130937319 /nfs/dbraw/zinc/93/73/19/1130937319.db2.gz UYJXSOLGTWKAGV-TZMCWYRMSA-N 2 1 274.433 3.521 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C ZINC001236421962 1130937325 /nfs/dbraw/zinc/93/73/25/1130937325.db2.gz UYJXSOLGTWKAGV-TZMCWYRMSA-N 2 1 274.433 3.521 20 0 CHADMP Cc1cc(N(C)C)[nH+]cc1-c1ccc(C[NH2+]CC(C)C)cc1 ZINC001236437048 1130942050 /nfs/dbraw/zinc/94/20/50/1130942050.db2.gz ONWQDBMXDHMEFB-UHFFFAOYSA-N 2 1 297.446 3.869 20 0 CHADMP Cc1cccc(CC[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236453678 1130945625 /nfs/dbraw/zinc/94/56/25/1130945625.db2.gz GNTIDQKVVZOUCI-UHFFFAOYSA-N 2 1 288.479 3.638 20 0 CHADMP CC(C)(C)C[N@H+](Cc1cccc(F)c1F)C1CC[NH2+]CC1 ZINC001236458073 1130946201 /nfs/dbraw/zinc/94/62/01/1130946201.db2.gz QZTVMRAUTSEJLZ-UHFFFAOYSA-N 2 1 296.405 3.565 20 0 CHADMP CC(C)(C)C[N@@H+](Cc1cccc(F)c1F)C1CC[NH2+]CC1 ZINC001236458073 1130946205 /nfs/dbraw/zinc/94/62/05/1130946205.db2.gz QZTVMRAUTSEJLZ-UHFFFAOYSA-N 2 1 296.405 3.565 20 0 CHADMP Cc1ccccc1C[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236458639 1130947236 /nfs/dbraw/zinc/94/72/36/1130947236.db2.gz UTVWFKFBQPGKRH-UHFFFAOYSA-N 2 1 274.452 3.595 20 0 CHADMP Cc1cc(C)c(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1C ZINC001236469603 1130949573 /nfs/dbraw/zinc/94/95/73/1130949573.db2.gz ZZAMODNAHNIWHI-GOSISDBHSA-N 2 1 274.452 3.574 20 0 CHADMP Cc1cc(C)c(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1C ZINC001236469603 1130949577 /nfs/dbraw/zinc/94/95/77/1130949577.db2.gz ZZAMODNAHNIWHI-GOSISDBHSA-N 2 1 274.452 3.574 20 0 CHADMP CC[C@@H](C)C[N@@H+](Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001236510249 1130959866 /nfs/dbraw/zinc/95/98/66/1130959866.db2.gz ZBEFVEAHZMURMQ-CQSZACIVSA-N 2 1 292.442 3.734 20 0 CHADMP CC(C)(C)CC[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236539804 1130968314 /nfs/dbraw/zinc/96/83/14/1130968314.db2.gz AZCKULOIZOCEOV-WKILWMFISA-N 2 1 266.473 3.795 20 0 CHADMP CCC[C@@H](C)C[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236542523 1130969331 /nfs/dbraw/zinc/96/93/31/1130969331.db2.gz YEJALECKOGPBDK-DJIMGWMZSA-N 2 1 266.473 3.795 20 0 CHADMP CCCC[N@@H+](Cc1ccc(OC)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236543464 1130970263 /nfs/dbraw/zinc/97/02/63/1130970263.db2.gz UTHFNABGAJVMCN-QAQDUYKDSA-N 2 1 290.451 3.567 20 0 CHADMP CC/C=C\CCC[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550112 1130973704 /nfs/dbraw/zinc/97/37/04/1130973704.db2.gz GTLQEVDEJWDOIF-WROLPWGZSA-N 2 1 266.473 3.961 20 0 CHADMP C[C@H](C[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1)c1ccccc1 ZINC001236550082 1130973936 /nfs/dbraw/zinc/97/39/36/1130973936.db2.gz DDBWVVPAHFHTCH-ATZDWAIDSA-N 2 1 286.463 3.772 20 0 CHADMP CCc1ccc(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)s1 ZINC001236552174 1130974853 /nfs/dbraw/zinc/97/48/53/1130974853.db2.gz JSVPSHCJSLZQGC-SHTZXODSSA-N 2 1 292.492 3.792 20 0 CHADMP CC(C)(C)C[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236566164 1130976023 /nfs/dbraw/zinc/97/60/23/1130976023.db2.gz DIWAOTJKSMQXOD-CTYIDZIISA-N 2 1 252.446 3.547 20 0 CHADMP COC(C)(C)CC[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236565334 1130976542 /nfs/dbraw/zinc/97/65/42/1130976542.db2.gz FDJNWUFIHYGITR-JCNLHEQBSA-N 2 1 296.499 3.706 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C2CCCC2)CC1 ZINC001236567681 1130976887 /nfs/dbraw/zinc/97/68/87/1130976887.db2.gz ZGIIYSDVHXCPTR-ATIFRJIPSA-N 2 1 288.479 3.713 20 0 CHADMP CCc1ccc(C[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236573013 1130978587 /nfs/dbraw/zinc/97/85/87/1130978587.db2.gz YNZROVCCJCADLI-UAPYVXQJSA-N 2 1 286.463 3.873 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236584860 1130980601 /nfs/dbraw/zinc/98/06/01/1130980601.db2.gz XKYXBPYHPWJYTK-IRXDYDNUSA-N 2 1 278.484 3.833 20 0 CHADMP CC/C=C\CCCCC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236584700 1130980765 /nfs/dbraw/zinc/98/07/65/1130980765.db2.gz QCHPHPMLSAGQOS-CWIOURORSA-N 2 1 278.484 3.977 20 0 CHADMP c1ccc(CCCC[N@@H+](C2CCC2)C2CC[NH2+]CC2)cc1 ZINC001236633995 1130986781 /nfs/dbraw/zinc/98/67/81/1130986781.db2.gz NUFBAASWVRYYBS-UHFFFAOYSA-N 2 1 286.463 3.616 20 0 CHADMP Fc1cc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)ccc1Cl ZINC001236633728 1130987218 /nfs/dbraw/zinc/98/72/18/1130987218.db2.gz KRXGJTAHSQGGSP-UHFFFAOYSA-N 2 1 296.817 3.586 20 0 CHADMP CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)CCC1C[NH2+]C1 ZINC001236661254 1130991764 /nfs/dbraw/zinc/99/17/64/1130991764.db2.gz ASSMWXIIZJOKSP-IBGZPJMESA-N 2 1 288.479 3.719 20 0 CHADMP Cc1cccc(C[N@H+](C[C@H]2C[C@H]2C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236725744 1131000334 /nfs/dbraw/zinc/00/03/34/1131000334.db2.gz DUQUAGKYYBCIOX-NXWXRZEISA-N 2 1 286.463 3.723 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCC2CC2)Cc2ccc(F)cc2)CC1 ZINC001236741752 1131002083 /nfs/dbraw/zinc/00/20/83/1131002083.db2.gz JMWZBLMJWZDKEY-IYARVYRRSA-N 2 1 290.426 3.698 20 0 CHADMP CCCCC[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236766570 1131005161 /nfs/dbraw/zinc/00/51/61/1131005161.db2.gz ANVGPOPTKZSUBE-SHTZXODSSA-N 2 1 254.462 3.795 20 0 CHADMP CCC[N@@H+](CCC(C)(C)c1ccccc1)C[C@H]1CC[NH2+]C1 ZINC001236829968 1131017007 /nfs/dbraw/zinc/01/70/07/1131017007.db2.gz MBTRKLYYYZRRBA-KRWDZBQOSA-N 2 1 288.479 3.676 20 0 CHADMP CCC[N@H+](Cc1c(C)ccc2ccccc21)C[C@@H]1CC[NH2+]C1 ZINC001236834255 1131019758 /nfs/dbraw/zinc/01/97/58/1131019758.db2.gz GAWWTWUSEGIZQC-QGZVFWFLSA-N 2 1 296.458 3.970 20 0 CHADMP CC(C)[N@@H+](CCCCCC[NH3+])[C@@H](C)c1ccccc1 ZINC001236861248 1131025591 /nfs/dbraw/zinc/02/55/91/1131025591.db2.gz XPUCNYGFTVYPAS-INIZCTEOSA-N 2 1 262.441 3.977 20 0 CHADMP c1cc2cccc(C[N@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)c2o1 ZINC001237155275 1131059538 /nfs/dbraw/zinc/05/95/38/1131059538.db2.gz IAHQDPUDZZOSFZ-QGZVFWFLSA-N 2 1 284.403 3.539 20 0 CHADMP c1cc2cccc(C[N@@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)c2o1 ZINC001237155275 1131059541 /nfs/dbraw/zinc/05/95/41/1131059541.db2.gz IAHQDPUDZZOSFZ-QGZVFWFLSA-N 2 1 284.403 3.539 20 0 CHADMP CC[N@H+](C)C1CC[NH+](Cc2ccc3cccccc2-3)CC1 ZINC001237185096 1131063874 /nfs/dbraw/zinc/06/38/74/1131063874.db2.gz JLIONCYTSIXKJJ-UHFFFAOYSA-N 2 1 282.431 3.708 20 0 CHADMP CC[N@@H+](C)C1CC[NH+](Cc2ccc3cccccc2-3)CC1 ZINC001237185096 1131063880 /nfs/dbraw/zinc/06/38/80/1131063880.db2.gz JLIONCYTSIXKJJ-UHFFFAOYSA-N 2 1 282.431 3.708 20 0 CHADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000798956808 1131064492 /nfs/dbraw/zinc/06/44/92/1131064492.db2.gz ASTHKTZMQCCNOE-RTBURBONSA-N 2 1 298.474 3.598 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+](C)CCC[NH+]1CCCC1 ZINC001237354789 1131091040 /nfs/dbraw/zinc/09/10/40/1131091040.db2.gz OLMKAGHEHAIWPV-UHFFFAOYSA-N 2 1 294.870 3.875 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001237354789 1131091044 /nfs/dbraw/zinc/09/10/44/1131091044.db2.gz OLMKAGHEHAIWPV-UHFFFAOYSA-N 2 1 294.870 3.875 20 0 CHADMP C[C@H](CC[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1)CC(C)(C)C ZINC001237381652 1131092091 /nfs/dbraw/zinc/09/20/91/1131092091.db2.gz JKFSQEKJTMVOJR-BZUAXINKSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@H](CC[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1)CC(C)(C)C ZINC001237381652 1131092095 /nfs/dbraw/zinc/09/20/95/1131092095.db2.gz JKFSQEKJTMVOJR-BZUAXINKSA-N 2 1 266.473 3.523 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237379612 1131092432 /nfs/dbraw/zinc/09/24/32/1131092432.db2.gz BZVTZVLWNFFILY-QCDWVSHVSA-N 2 1 264.457 3.587 20 0 CHADMP C[C@H](CC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1)CC(C)(C)C ZINC001237381654 1131092754 /nfs/dbraw/zinc/09/27/54/1131092754.db2.gz JKFSQEKJTMVOJR-OAGGEKHMSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@H](CC[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1)CC(C)(C)C ZINC001237381654 1131092760 /nfs/dbraw/zinc/09/27/60/1131092760.db2.gz JKFSQEKJTMVOJR-OAGGEKHMSA-N 2 1 266.473 3.523 20 0 CHADMP CCCCc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)s1 ZINC001237394842 1131095945 /nfs/dbraw/zinc/09/59/45/1131095945.db2.gz WLLNIMSXEGEGCH-YOEHRIQHSA-N 2 1 292.492 3.665 20 0 CHADMP CCCCc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)s1 ZINC001237394842 1131095951 /nfs/dbraw/zinc/09/59/51/1131095951.db2.gz WLLNIMSXEGEGCH-YOEHRIQHSA-N 2 1 292.492 3.665 20 0 CHADMP c1cc(C2CCC2)ccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237417204 1131096371 /nfs/dbraw/zinc/09/63/71/1131096371.db2.gz UBRKCPNKFGKUNY-RTBURBONSA-N 2 1 284.447 3.528 20 0 CHADMP Fc1cccc2c(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)cccc12 ZINC001237409945 1131097084 /nfs/dbraw/zinc/09/70/84/1131097084.db2.gz CFNYNTVCCWFRBN-HNAYVOBHSA-N 2 1 298.405 3.553 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237408186 1131097296 /nfs/dbraw/zinc/09/72/96/1131097296.db2.gz ZAFWLDFHUKQROJ-XLIONFOSSA-N 2 1 294.442 3.722 20 0 CHADMP c1cc(C2CCC2)ccc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237417198 1131097863 /nfs/dbraw/zinc/09/78/63/1131097863.db2.gz UBRKCPNKFGKUNY-MOPGFXCFSA-N 2 1 284.447 3.528 20 0 CHADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OC(C)C)c(C)c1 ZINC001237729514 1131133876 /nfs/dbraw/zinc/13/38/76/1131133876.db2.gz CWVCJNWTIBKTFQ-UHFFFAOYSA-N 2 1 292.467 3.556 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC(C)C)c(C)c1 ZINC001237729514 1131133878 /nfs/dbraw/zinc/13/38/78/1131133878.db2.gz CWVCJNWTIBKTFQ-UHFFFAOYSA-N 2 1 292.467 3.556 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@H]2C(C)C)C1 ZINC001116288548 1131138451 /nfs/dbraw/zinc/13/84/51/1131138451.db2.gz INDLIIADZDJXEE-IKGGRYGDSA-N 2 1 266.473 3.523 20 0 CHADMP CCCC[N@@H+](C)Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237881501 1131149256 /nfs/dbraw/zinc/14/92/56/1131149256.db2.gz UQMQDRFYFNTBBS-UHFFFAOYSA-N 2 1 272.436 3.920 20 0 CHADMP c1ncn2c1cccc2C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC001238111920 1131172819 /nfs/dbraw/zinc/17/28/19/1131172819.db2.gz YXOZCSPFXWDUPT-GOSISDBHSA-N 2 1 283.419 3.879 20 0 CHADMP c1[nH+]cn2c1cccc2C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC001238111920 1131172820 /nfs/dbraw/zinc/17/28/20/1131172820.db2.gz YXOZCSPFXWDUPT-GOSISDBHSA-N 2 1 283.419 3.879 20 0 CHADMP c1[nH+]cn2c1cccc2C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC001238111920 1131172823 /nfs/dbraw/zinc/17/28/23/1131172823.db2.gz YXOZCSPFXWDUPT-GOSISDBHSA-N 2 1 283.419 3.879 20 0 CHADMP Cc1c(Cl)ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1C ZINC001238220141 1131183048 /nfs/dbraw/zinc/18/30/48/1131183048.db2.gz UOMZDIMAWAWHPT-UHFFFAOYSA-N 2 1 294.870 3.730 20 0 CHADMP CC(C)Oc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000817888378 1131185878 /nfs/dbraw/zinc/18/58/78/1131185878.db2.gz KVFCUMPKXGCIRM-MOPGFXCFSA-N 2 1 296.414 3.708 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1ccccc1SC(C)(C)C)[C@H](C)[NH3+] ZINC000817977355 1131195182 /nfs/dbraw/zinc/19/51/82/1131195182.db2.gz ILXHMDQIVRIFFX-XQQFMLRXSA-N 2 1 280.481 3.964 20 0 CHADMP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)C1CCCC1 ZINC000823677498 1131438721 /nfs/dbraw/zinc/43/87/21/1131438721.db2.gz VHWRWYJGJQJQGM-QGZVFWFLSA-N 2 1 298.434 3.634 20 0 CHADMP CC[N@H+](CCC[NH+](C)C)Cc1cc2c(cccc2Cl)[nH]1 ZINC001136863693 1131465986 /nfs/dbraw/zinc/46/59/86/1131465986.db2.gz NDDLIOICWHOSLI-UHFFFAOYSA-N 2 1 293.842 3.595 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc2c(cccc2Cl)[nH]1 ZINC001136863693 1131465988 /nfs/dbraw/zinc/46/59/88/1131465988.db2.gz NDDLIOICWHOSLI-UHFFFAOYSA-N 2 1 293.842 3.595 20 0 CHADMP CC[NH+](CC)C1CC[NH+](Cc2c[nH]c3cc(C)ccc23)CC1 ZINC001136973158 1131493721 /nfs/dbraw/zinc/49/37/21/1131493721.db2.gz NZJMCAUJQMONRN-UHFFFAOYSA-N 2 1 299.462 3.783 20 0 CHADMP CCCC[C@@H](CC(C)C)[NH2+]CC[C@H]1CC[NH2+]CC1(F)F ZINC001246479829 1131522085 /nfs/dbraw/zinc/52/20/85/1131522085.db2.gz AHYVNZVBBNNHEG-CABCVRRESA-N 2 1 290.442 3.816 20 0 CHADMP [NH3+][C@@H]1CCC[N@H+](C2CCC3(CCCCC3)CC2)CC1 ZINC001246543054 1131586231 /nfs/dbraw/zinc/58/62/31/1131586231.db2.gz RTYUSZBMARFMCM-OAHLLOKOSA-N 2 1 264.457 3.693 20 0 CHADMP CCCCC[C@@H](CCC)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246550141 1131603730 /nfs/dbraw/zinc/60/37/30/1131603730.db2.gz NXMRMIOQZCNOTE-CVEARBPZSA-N 2 1 272.452 3.888 20 0 CHADMP C[C@@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246550655 1131606108 /nfs/dbraw/zinc/60/61/08/1131606108.db2.gz JPRVPTHSRYTFIU-BBRMVZONSA-N 2 1 296.455 3.510 20 0 CHADMP CC(C)[C@H]1C[C@@H]([NH+]2CCC3(CCCCC3)CC2)CC[NH2+]1 ZINC001246551642 1131608475 /nfs/dbraw/zinc/60/84/75/1131608475.db2.gz UPHPTOXMYSGJQA-DLBZAZTESA-N 2 1 278.484 3.809 20 0 CHADMP C[NH2+]C[C@@H]1CCC[N@H+](C2CCC3(CCCCC3)CC2)C1 ZINC001246552067 1131609054 /nfs/dbraw/zinc/60/90/54/1131609054.db2.gz UTCDMGJZJPFIDB-INIZCTEOSA-N 2 1 278.484 3.811 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@H+](C2CCC3(CCCCC3)CC2)C1 ZINC001246552562 1131611304 /nfs/dbraw/zinc/61/13/04/1131611304.db2.gz UTCDMGJZJPFIDB-MRXNPFEDSA-N 2 1 278.484 3.811 20 0 CHADMP Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3c(C)cc[nH+]c3C)c2c1 ZINC001171168130 1131620840 /nfs/dbraw/zinc/62/08/40/1131620840.db2.gz KEIPTHVBXTWPKA-AWEZNQCLSA-N 2 1 293.414 3.840 20 0 CHADMP N[C@@H]1CC[N@H+]([C@H]2CCCC3(CCCCC3)C2)CC[C@H]1F ZINC001246567229 1131633963 /nfs/dbraw/zinc/63/39/63/1131633963.db2.gz HOWWDOMDVFLOFD-ARFHVFGLSA-N 2 1 282.447 3.641 20 0 CHADMP [NH3+][C@@H]1CC[N@@H+]([C@H]2CCCC3(CCCCC3)C2)CC[C@H]1F ZINC001246567229 1131633966 /nfs/dbraw/zinc/63/39/66/1131633966.db2.gz HOWWDOMDVFLOFD-ARFHVFGLSA-N 2 1 282.447 3.641 20 0 CHADMP [NH3+][C@@H]1CC[N@H+]([C@H]2CCCC3(CCCCC3)C2)CC[C@H]1F ZINC001246567229 1131633968 /nfs/dbraw/zinc/63/39/68/1131633968.db2.gz HOWWDOMDVFLOFD-ARFHVFGLSA-N 2 1 282.447 3.641 20 0 CHADMP CCC[C@H](C)CC[C@@H](C)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246572620 1131651147 /nfs/dbraw/zinc/65/11/47/1131651147.db2.gz ARFVCNSVHBFBOZ-ARFHVFGLSA-N 2 1 272.452 3.744 20 0 CHADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246572620 1131651149 /nfs/dbraw/zinc/65/11/49/1131651149.db2.gz ARFVCNSVHBFBOZ-ARFHVFGLSA-N 2 1 272.452 3.744 20 0 CHADMP Cc1nccn1-c1ccccc1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001140021976 1131657383 /nfs/dbraw/zinc/65/73/83/1131657383.db2.gz WARVAVQZXBETAX-DLBZAZTESA-N 2 1 295.430 3.803 20 0 CHADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246578306 1131670674 /nfs/dbraw/zinc/67/06/74/1131670674.db2.gz AQKITJLULWSGHZ-RHSMWYFYSA-N 2 1 294.870 3.722 20 0 CHADMP CC[C@@]1(C)CCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000845925829 1131671076 /nfs/dbraw/zinc/67/10/76/1131671076.db2.gz ASZBJIZKGGGNCO-AEFFLSMTSA-N 2 1 298.434 3.634 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2C)cn1 ZINC000845927552 1131671219 /nfs/dbraw/zinc/67/12/19/1131671219.db2.gz JXTQXXQFJAVNTI-WMLDXEAASA-N 2 1 298.434 3.634 20 0 CHADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246579308 1131675515 /nfs/dbraw/zinc/67/55/15/1131675515.db2.gz UHOKOCWYOHYVJQ-GVDBMIGSSA-N 2 1 268.489 3.898 20 0 CHADMP CC[N@@H+](CCC[NH2+]C1CC(C(F)F)C1)C1CCCCC1 ZINC000846022216 1131677889 /nfs/dbraw/zinc/67/78/89/1131677889.db2.gz KRPFWNLFQCBYET-UHFFFAOYSA-N 2 1 288.426 3.664 20 0 CHADMP [NH3+]CCCCCC[N@@H+](CC1CC1)C1CCCCC1 ZINC000846217662 1131700836 /nfs/dbraw/zinc/70/08/36/1131700836.db2.gz HBFLYFJLQMKMCQ-UHFFFAOYSA-N 2 1 252.446 3.550 20 0 CHADMP C[C@H]1SCC[N@@H+](CCCCCC[NH3+])[C@@H]1c1ccccc1 ZINC000846219261 1131701492 /nfs/dbraw/zinc/70/14/92/1131701492.db2.gz MQEWWXITSZCXSC-WBVHZDCISA-N 2 1 292.492 3.684 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000846222522 1131701865 /nfs/dbraw/zinc/70/18/65/1131701865.db2.gz FXZRVVDJPNPFHK-ZDUSSCGKSA-N 2 1 292.389 3.560 20 0 CHADMP CC[C@@H]1CC([N@H+]2CCC23CCCCC3)C[C@@H](CC)[NH2+]1 ZINC001246611324 1131717547 /nfs/dbraw/zinc/71/75/47/1131717547.db2.gz FZEAQNDUAFACOC-HUUCEWRRSA-N 2 1 264.457 3.704 20 0 CHADMP C1CCC2(C1)CCC[N@H+](C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246617221 1131719453 /nfs/dbraw/zinc/71/94/53/1131719453.db2.gz YKXXZFSWWNFMHJ-UHFFFAOYSA-N 2 1 290.495 3.955 20 0 CHADMP Cc1ccccc1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000834891713 1131719467 /nfs/dbraw/zinc/71/94/67/1131719467.db2.gz IUVNNWOAZKZSNZ-RGPMPMONSA-N 2 1 284.447 3.661 20 0 CHADMP CCCCC(CCCC)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246624759 1131722057 /nfs/dbraw/zinc/72/20/57/1131722057.db2.gz RVKKOLKCPUYYMD-QGZVFWFLSA-N 2 1 266.473 3.953 20 0 CHADMP CCCCC(CCCC)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246624755 1131722404 /nfs/dbraw/zinc/72/24/04/1131722404.db2.gz RVKKOLKCPUYYMD-KRWDZBQOSA-N 2 1 266.473 3.953 20 0 CHADMP Cc1cc(F)ccc1[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000834908411 1131730495 /nfs/dbraw/zinc/73/04/95/1131730495.db2.gz JSORFGOAGGOWTH-AWEZNQCLSA-N 2 1 278.415 3.659 20 0 CHADMP CC(C)CCC[C@H](C)[N@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001246641704 1131765858 /nfs/dbraw/zinc/76/58/58/1131765858.db2.gz XEAHINOTJJFUOK-GJZGRUSLSA-N 2 1 288.426 3.522 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](c2ccccc2)C1(C)C ZINC001171268485 1131781865 /nfs/dbraw/zinc/78/18/65/1131781865.db2.gz XFRCCMHAKISERW-SFHVURJKSA-N 2 1 288.479 3.986 20 0 CHADMP Cc1cc(F)ccc1[C@H]1C[C@H]([N@@H+](C)C(C)(C)C)CC[NH2+]1 ZINC001246770082 1131782703 /nfs/dbraw/zinc/78/27/03/1131782703.db2.gz NMFAZRQPGAKSIB-GDBMZVCRSA-N 2 1 278.415 3.658 20 0 CHADMP Cc1cc(F)ccc1[C@H]1C[C@H]([N@H+](C)C(C)(C)C)CC[NH2+]1 ZINC001246770082 1131782709 /nfs/dbraw/zinc/78/27/09/1131782709.db2.gz NMFAZRQPGAKSIB-GDBMZVCRSA-N 2 1 278.415 3.658 20 0 CHADMP CC[C@@H]1C[C@H]([N@H+]2CCC3(CCCC3)C2)C[C@H](CC)[NH2+]1 ZINC001246809777 1131783886 /nfs/dbraw/zinc/78/38/86/1131783886.db2.gz XTLKPSWRPVDTQP-ZSHCYNCHSA-N 2 1 264.457 3.562 20 0 CHADMP CC[N@@H+](Cc1cccc(Cl)c1)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246907140 1131807540 /nfs/dbraw/zinc/80/75/40/1131807540.db2.gz PSYSFWPBIQWHKO-CHWSQXEVSA-N 2 1 280.843 3.691 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246936731 1131823961 /nfs/dbraw/zinc/82/39/61/1131823961.db2.gz WYIDIASHUYJHRX-LUKYLMHMSA-N 2 1 266.473 3.523 20 0 CHADMP CC[C@H](C)[C@H]1CCCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000348191573 1131895669 /nfs/dbraw/zinc/89/56/69/1131895669.db2.gz VUVMQZGYVDHAHB-DOTOQJQBSA-N 2 1 277.456 3.872 20 0 CHADMP CC[C@H](C)[C@H]1CCCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000348191573 1131895679 /nfs/dbraw/zinc/89/56/79/1131895679.db2.gz VUVMQZGYVDHAHB-DOTOQJQBSA-N 2 1 277.456 3.872 20 0 CHADMP c1cc(C2CCC2)ccc1C[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001228555087 1131909075 /nfs/dbraw/zinc/90/90/75/1131909075.db2.gz BUIXNJKJFZCQLJ-UHFFFAOYSA-N 2 1 284.447 3.672 20 0 CHADMP Fc1ccc([C@@H]2CC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)cc1 ZINC001140805055 1131929285 /nfs/dbraw/zinc/92/92/85/1131929285.db2.gz PVGJYDVUMJVVIR-CQSZACIVSA-N 2 1 295.361 3.692 20 0 CHADMP Fc1ccc([C@@H]2CC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)cc1 ZINC001140805055 1131929295 /nfs/dbraw/zinc/92/92/95/1131929295.db2.gz PVGJYDVUMJVVIR-CQSZACIVSA-N 2 1 295.361 3.692 20 0 CHADMP CC/C=C\C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716693634 1132027975 /nfs/dbraw/zinc/02/79/75/1132027975.db2.gz PKCXEMACMXKXRN-KQDLWMLUSA-N 2 1 284.447 3.595 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+](C(C)C)C1CCN(C)CC1 ZINC001141234610 1132054163 /nfs/dbraw/zinc/05/41/63/1132054163.db2.gz RAJOTUOQCXRKDE-UHFFFAOYSA-N 2 1 294.870 3.953 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(Cl)cc1C ZINC001141232161 1132055329 /nfs/dbraw/zinc/05/53/29/1132055329.db2.gz CVGVMUQWBXCKRR-UHFFFAOYSA-N 2 1 282.859 3.812 20 0 CHADMP CC[N@H+](Cc1ccncc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171628679 1132060410 /nfs/dbraw/zinc/06/04/10/1132060410.db2.gz FYGGPEQWMHXWSQ-UHFFFAOYSA-N 2 1 289.467 3.555 20 0 CHADMP CC[N@@H+](Cc1ccncc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171628679 1132060413 /nfs/dbraw/zinc/06/04/13/1132060413.db2.gz FYGGPEQWMHXWSQ-UHFFFAOYSA-N 2 1 289.467 3.555 20 0 CHADMP C[NH+]1C(C)(C)CC([NH2+]CC2(F)CCCCC2)CC1(C)C ZINC001171613720 1132064731 /nfs/dbraw/zinc/06/47/31/1132064731.db2.gz OCLQLZZOHBJODL-UHFFFAOYSA-N 2 1 284.463 3.900 20 0 CHADMP C[N@@H+](CCc1cccs1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171638218 1132082261 /nfs/dbraw/zinc/08/22/61/1132082261.db2.gz XCJYRDGILHFCDS-UHFFFAOYSA-N 2 1 294.508 3.874 20 0 CHADMP C[C@@H]1[C@@H](C)CCC[N@@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171637415 1132082607 /nfs/dbraw/zinc/08/26/07/1132082607.db2.gz MSWMNZKTQJGTNG-UONOGXRCSA-N 2 1 266.473 3.758 20 0 CHADMP C[C@H]1CCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)[C@H]1C ZINC001171637413 1132082899 /nfs/dbraw/zinc/08/28/99/1132082899.db2.gz MSWMNZKTQJGTNG-KBPBESRZSA-N 2 1 266.473 3.758 20 0 CHADMP CC(C)(C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171964661 1132112429 /nfs/dbraw/zinc/11/24/29/1132112429.db2.gz MBYGYLKKBIAONK-INIZCTEOSA-N 2 1 274.452 3.818 20 0 CHADMP CC(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171966229 1132112477 /nfs/dbraw/zinc/11/24/77/1132112477.db2.gz UGWCSSCWWJKPOW-KRWDZBQOSA-N 2 1 274.452 3.675 20 0 CHADMP CC1(C)C[C@@H]([NH2+]C2CC(F)C2)CC[N@H+]1Cc1ccccc1 ZINC001171964014 1132113258 /nfs/dbraw/zinc/11/32/58/1132113258.db2.gz JRYDTSVAQDNKQL-CGZBRXJRSA-N 2 1 290.426 3.520 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206154511 1132121117 /nfs/dbraw/zinc/12/11/17/1132121117.db2.gz JOPLKRYSZGHPQG-XHSDSOJGSA-N 2 1 270.436 3.520 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206154511 1132121124 /nfs/dbraw/zinc/12/11/24/1132121124.db2.gz JOPLKRYSZGHPQG-XHSDSOJGSA-N 2 1 270.436 3.520 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206154503 1132121523 /nfs/dbraw/zinc/12/15/23/1132121523.db2.gz JOPLKRYSZGHPQG-HRCADAONSA-N 2 1 270.436 3.520 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206154503 1132121528 /nfs/dbraw/zinc/12/15/28/1132121528.db2.gz JOPLKRYSZGHPQG-HRCADAONSA-N 2 1 270.436 3.520 20 0 CHADMP Cc1cc2cc(C[NH3+])ccc2n1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098365 1132122816 /nfs/dbraw/zinc/12/28/16/1132122816.db2.gz CMCGJIIWWGQGPQ-BCDXTJNWSA-N 2 1 297.446 3.596 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(Cl)c1F)C2 ZINC001172101680 1132123668 /nfs/dbraw/zinc/12/36/68/1132123668.db2.gz HUBPDQSUHGFFOY-ZSOGYDGISA-N 2 1 296.817 3.584 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(Cl)c1F)C2 ZINC001172101680 1132123673 /nfs/dbraw/zinc/12/36/73/1132123673.db2.gz HUBPDQSUHGFFOY-ZSOGYDGISA-N 2 1 296.817 3.584 20 0 CHADMP C[C@@H]1C[C@@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069858 1132124440 /nfs/dbraw/zinc/12/44/40/1132124440.db2.gz YTLDDSAZDXJLBI-FTWQHDNSSA-N 2 1 284.447 3.570 20 0 CHADMP CC[N@H+](Cc1cccc(F)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127416 1132124955 /nfs/dbraw/zinc/12/49/55/1132124955.db2.gz JDROVZMUFGNOJE-BCDXTJNWSA-N 2 1 290.426 3.663 20 0 CHADMP CC[N@@H+](Cc1cccc(F)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127416 1132124960 /nfs/dbraw/zinc/12/49/60/1132124960.db2.gz JDROVZMUFGNOJE-BCDXTJNWSA-N 2 1 290.426 3.663 20 0 CHADMP CC[NH+](Cc1cccc(F)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172127416 1132124963 /nfs/dbraw/zinc/12/49/63/1132124963.db2.gz JDROVZMUFGNOJE-BCDXTJNWSA-N 2 1 290.426 3.663 20 0 CHADMP CC[NH+](Cc1cccc(F)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172127416 1132124967 /nfs/dbraw/zinc/12/49/67/1132124967.db2.gz JDROVZMUFGNOJE-BCDXTJNWSA-N 2 1 290.426 3.663 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172100554 1132125819 /nfs/dbraw/zinc/12/58/19/1132125819.db2.gz DYOIEYYOWBZRQX-OWLYRPNTSA-N 2 1 272.436 3.661 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172100554 1132125824 /nfs/dbraw/zinc/12/58/24/1132125824.db2.gz DYOIEYYOWBZRQX-OWLYRPNTSA-N 2 1 272.436 3.661 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(C1)CCCCC3)C2 ZINC001172133974 1132127312 /nfs/dbraw/zinc/12/73/12/1132127312.db2.gz VFWZTGLMEKFGSP-BJWYYQGGSA-N 2 1 276.468 3.658 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC3(C1)CCCCC3)C2 ZINC001172133974 1132127313 /nfs/dbraw/zinc/12/73/13/1132127313.db2.gz VFWZTGLMEKFGSP-BJWYYQGGSA-N 2 1 276.468 3.658 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC3(C1)CCCCC3)C2 ZINC001172133974 1132127315 /nfs/dbraw/zinc/12/73/15/1132127315.db2.gz VFWZTGLMEKFGSP-BJWYYQGGSA-N 2 1 276.468 3.658 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCC1CCCCC1)C2 ZINC001172102013 1132127431 /nfs/dbraw/zinc/12/74/31/1132127431.db2.gz JGJNXNKODBMEBR-OSYLJGHBSA-N 2 1 264.457 3.562 20 0 CHADMP C[N@H+]([C@H]1CCc2ccccc21)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172133596 1132128163 /nfs/dbraw/zinc/12/81/63/1132128163.db2.gz TZWRLXRMGVUOTB-FAJBIJEISA-N 2 1 284.447 3.621 20 0 CHADMP C[N@@H+]([C@H]1CCc2ccccc21)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172133596 1132128168 /nfs/dbraw/zinc/12/81/68/1132128168.db2.gz TZWRLXRMGVUOTB-FAJBIJEISA-N 2 1 284.447 3.621 20 0 CHADMP C[NH+]([C@H]1CCc2ccccc21)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172133596 1132128170 /nfs/dbraw/zinc/12/81/70/1132128170.db2.gz TZWRLXRMGVUOTB-FAJBIJEISA-N 2 1 284.447 3.621 20 0 CHADMP C[NH+]([C@H]1CCc2ccccc21)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172133596 1132128175 /nfs/dbraw/zinc/12/81/75/1132128175.db2.gz TZWRLXRMGVUOTB-FAJBIJEISA-N 2 1 284.447 3.621 20 0 CHADMP CCCCCC[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172105808 1132129393 /nfs/dbraw/zinc/12/93/93/1132129393.db2.gz KRRIDPYFDRGVAW-LUKYLMHMSA-N 2 1 266.473 3.950 20 0 CHADMP CCCCCC[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172105808 1132129395 /nfs/dbraw/zinc/12/93/95/1132129395.db2.gz KRRIDPYFDRGVAW-LUKYLMHMSA-N 2 1 266.473 3.950 20 0 CHADMP CCCCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104657 1132129954 /nfs/dbraw/zinc/12/99/54/1132129954.db2.gz DXNBLHQMGQXSRT-FPCVCCKLSA-N 2 1 252.446 3.560 20 0 CHADMP CCCCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104657 1132129958 /nfs/dbraw/zinc/12/99/58/1132129958.db2.gz DXNBLHQMGQXSRT-FPCVCCKLSA-N 2 1 252.446 3.560 20 0 CHADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCCCC1 ZINC001172109437 1132130722 /nfs/dbraw/zinc/13/07/22/1132130722.db2.gz GXJDWJRMNKUXFQ-FJIDUMEYSA-N 2 1 278.484 3.950 20 0 CHADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC001172109437 1132130725 /nfs/dbraw/zinc/13/07/25/1132130725.db2.gz GXJDWJRMNKUXFQ-FJIDUMEYSA-N 2 1 278.484 3.950 20 0 CHADMP CC(C)C[NH+](CC(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172115286 1132131560 /nfs/dbraw/zinc/13/15/60/1132131560.db2.gz WAYKVJIQDUNBPF-FVQHAEBGSA-N 2 1 266.473 3.616 20 0 CHADMP CC(C)C[NH+](CC(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172115286 1132131564 /nfs/dbraw/zinc/13/15/64/1132131564.db2.gz WAYKVJIQDUNBPF-FVQHAEBGSA-N 2 1 266.473 3.616 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(CC3CCC3)CC1)C2 ZINC001172115691 1132132783 /nfs/dbraw/zinc/13/27/83/1132132783.db2.gz VDENCIWWQUNLJW-BJWYYQGGSA-N 2 1 276.468 3.562 20 0 CHADMP CCCC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172123029 1132135308 /nfs/dbraw/zinc/13/53/08/1132135308.db2.gz XDKPZBGTCVEWOL-FVQHAEBGSA-N 2 1 264.457 3.514 20 0 CHADMP CCCC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172123029 1132135312 /nfs/dbraw/zinc/13/53/12/1132135312.db2.gz XDKPZBGTCVEWOL-FVQHAEBGSA-N 2 1 264.457 3.514 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H](c3ccccc3)C1)C2 ZINC001172121445 1132135637 /nfs/dbraw/zinc/13/56/37/1132135637.db2.gz JOVXCYCQVDPREE-HAGHYFMRSA-N 2 1 298.474 3.881 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H](c3ccccc3)C1)C2 ZINC001172121445 1132135640 /nfs/dbraw/zinc/13/56/40/1132135640.db2.gz JOVXCYCQVDPREE-HAGHYFMRSA-N 2 1 298.474 3.881 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@H](c3ccccc3)C1)C2 ZINC001172121445 1132135644 /nfs/dbraw/zinc/13/56/44/1132135644.db2.gz JOVXCYCQVDPREE-HAGHYFMRSA-N 2 1 298.474 3.881 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H](c3ccccc3)C1)C2 ZINC001172121445 1132135654 /nfs/dbraw/zinc/13/56/54/1132135654.db2.gz JOVXCYCQVDPREE-HAGHYFMRSA-N 2 1 298.474 3.881 20 0 CHADMP CC[C@H](C)OCC[C@@H](C)[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172334212 1132173749 /nfs/dbraw/zinc/17/37/49/1132173749.db2.gz LTQIANVLAPVQKC-XMTFNYHQSA-N 2 1 298.515 3.808 20 0 CHADMP CC(C)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001172368884 1132194788 /nfs/dbraw/zinc/19/47/88/1132194788.db2.gz KEHALGCHGMCFRX-JJTUDDRGSA-N 2 1 266.473 3.791 20 0 CHADMP CCCCCC[C@@H](CCC)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001172392131 1132216447 /nfs/dbraw/zinc/21/64/47/1132216447.db2.gz VZJMHJCYIMJAGU-QGZVFWFLSA-N 2 1 298.515 3.826 20 0 CHADMP CCC(CC)[N@@H+]([C@H](C)CCOC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172438029 1132233495 /nfs/dbraw/zinc/23/34/95/1132233495.db2.gz ZTUGJLNQKNXKQE-JFIYKMOQSA-N 2 1 298.515 3.951 20 0 CHADMP CC(C)OCC[C@H](C)[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172438702 1132233838 /nfs/dbraw/zinc/23/38/38/1132233838.db2.gz BPYAHIQCYSNDGD-BQFCYCMXSA-N 2 1 296.499 3.705 20 0 CHADMP [NH3+]CC[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172545331 1132278518 /nfs/dbraw/zinc/27/85/18/1132278518.db2.gz AHKGPZIXALYTMK-WOJBJXKFSA-N 2 1 294.442 3.784 20 0 CHADMP [NH3+]CC[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172545331 1132278524 /nfs/dbraw/zinc/27/85/24/1132278524.db2.gz AHKGPZIXALYTMK-WOJBJXKFSA-N 2 1 294.442 3.784 20 0 CHADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCC[C@H](OC)C1 ZINC001172927949 1132364226 /nfs/dbraw/zinc/36/42/26/1132364226.db2.gz HSYKUOLJRIWXOF-DDBAPUKQSA-N 2 1 296.499 3.705 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@H]2C)CC1 ZINC001173108235 1132392153 /nfs/dbraw/zinc/39/21/53/1132392153.db2.gz GYXDAQVHHXCLHS-QQFBHYJXSA-N 2 1 252.446 3.514 20 0 CHADMP CC[NH+](CC)C1CCC([N@@H+](CC2CC2)C(C)C)CC1 ZINC001173111305 1132393705 /nfs/dbraw/zinc/39/37/05/1132393705.db2.gz BETOUKRXOMSRBK-UHFFFAOYSA-N 2 1 266.473 3.760 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2Cc3cccc(F)c3C2)CC1 ZINC001173113722 1132393995 /nfs/dbraw/zinc/39/39/95/1132393995.db2.gz CRIXOBYGOOXZOH-UHFFFAOYSA-N 2 1 290.426 3.794 20 0 CHADMP CC[C@H]1CCCC[N@H+]1C1CCC([NH+](CC)CC)CC1 ZINC001173114168 1132394943 /nfs/dbraw/zinc/39/49/43/1132394943.db2.gz YGROPGSBOKIUDY-GTPINHCMSA-N 2 1 266.473 3.904 20 0 CHADMP CN1CCC[C@@H]2C[N@H+](C3CCC4(CCCCC4)CC3)C[C@H]21 ZINC001173121545 1132401410 /nfs/dbraw/zinc/40/14/10/1132401410.db2.gz RRHAMAFPCSVODY-SJLPKXTDSA-N 2 1 290.495 3.906 20 0 CHADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC001232013782 1132409985 /nfs/dbraw/zinc/40/99/85/1132409985.db2.gz FMZXVLMJBOWXLT-GOSISDBHSA-N 2 1 277.371 3.900 20 0 CHADMP c1csc([C@H]2CCC[N@@H+]2Cc2cc3c[nH+]ccc3[nH]2)c1 ZINC001232014468 1132410725 /nfs/dbraw/zinc/41/07/25/1132410725.db2.gz PWPGLBHIDJBBBX-OAHLLOKOSA-N 2 1 283.400 3.962 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)Cc2ccccc21 ZINC001232012164 1132411108 /nfs/dbraw/zinc/41/11/08/1132411108.db2.gz UKXVGQQWJSPGHU-CYBMUJFWSA-N 2 1 277.371 3.682 20 0 CHADMP COc1ccc([C@@H](C)[N@@H+](C)Cc2cc3c[nH+]ccc3[nH]2)cc1 ZINC001232015872 1132411304 /nfs/dbraw/zinc/41/13/04/1132411304.db2.gz NHLNXFZPIFXQJR-CYBMUJFWSA-N 2 1 295.386 3.765 20 0 CHADMP C[N@@H+](CCCc1ccccc1)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232013989 1132411641 /nfs/dbraw/zinc/41/16/41/1132411641.db2.gz FLZKPJYKWHANAG-UHFFFAOYSA-N 2 1 279.387 3.628 20 0 CHADMP C[C@@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001173206886 1132415387 /nfs/dbraw/zinc/41/53/87/1132415387.db2.gz XYJNKIQAHINHSB-QFBILLFUSA-N 2 1 294.442 3.630 20 0 CHADMP C[C@@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@@H]([NH3+])C1 ZINC001173206886 1132415392 /nfs/dbraw/zinc/41/53/92/1132415392.db2.gz XYJNKIQAHINHSB-QFBILLFUSA-N 2 1 294.442 3.630 20 0 CHADMP CCc1ccc(C[C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001173235737 1132415439 /nfs/dbraw/zinc/41/54/39/1132415439.db2.gz OPACEIMOPSLQIH-LPHOPBHVSA-N 2 1 288.479 3.502 20 0 CHADMP CCCC[C@@H](CC(C)C)[NH2+]C1CC[NH+](CC)CC1 ZINC001173247770 1132419204 /nfs/dbraw/zinc/41/92/04/1132419204.db2.gz YKNMIMZDJPPKPB-INIZCTEOSA-N 2 1 254.462 3.665 20 0 CHADMP CCCC[C@H](CC(C)C)[N@@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001173259085 1132427196 /nfs/dbraw/zinc/42/71/96/1132427196.db2.gz FMQYMULNCJAZFP-FGTMMUONSA-N 2 1 280.500 3.865 20 0 CHADMP CCCC[C@H](CC(C)C)[NH+]1C[C@H]2C[N@@H+](CCC)C[C@H]2C1 ZINC001173259085 1132427199 /nfs/dbraw/zinc/42/71/99/1132427199.db2.gz FMQYMULNCJAZFP-FGTMMUONSA-N 2 1 280.500 3.865 20 0 CHADMP CCCC[C@H](CC(C)C)[NH+]1C[C@H]2C[N@H+](CCC)C[C@H]2C1 ZINC001173259085 1132427201 /nfs/dbraw/zinc/42/72/01/1132427201.db2.gz FMQYMULNCJAZFP-FGTMMUONSA-N 2 1 280.500 3.865 20 0 CHADMP CC[C@@H]1CC[C@@H]([NH2+]C2CCN(c3[nH+]cccc3C)CC2)C1 ZINC001173262200 1132430942 /nfs/dbraw/zinc/43/09/42/1132430942.db2.gz CADGUPNTNPKUGU-NVXWUHKLSA-N 2 1 287.451 3.527 20 0 CHADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H]1c1cccs1 ZINC000842471622 1132433003 /nfs/dbraw/zinc/43/30/03/1132433003.db2.gz MVLSQGVUCRSHQE-AWEZNQCLSA-N 2 1 266.454 3.794 20 0 CHADMP CC[N@@H+](CCCCCCC[NH3+])[C@@H](C)c1cccc(O)c1 ZINC000842472060 1132433566 /nfs/dbraw/zinc/43/35/66/1132433566.db2.gz ORQDIDLDPKGRHT-HNNXBMFYSA-N 2 1 278.440 3.684 20 0 CHADMP CCc1ccc(C[C@H](C)[N@H+](CC[NH3+])Cc2ccccc2)cc1 ZINC001173239728 1132441063 /nfs/dbraw/zinc/44/10/63/1132441063.db2.gz SESWMXSIGODOCH-KRWDZBQOSA-N 2 1 296.458 3.641 20 0 CHADMP CCc1ccc(C[C@H](C)[N@@H+](CC[NH3+])Cc2ccccc2)cc1 ZINC001173239728 1132441067 /nfs/dbraw/zinc/44/10/67/1132441067.db2.gz SESWMXSIGODOCH-KRWDZBQOSA-N 2 1 296.458 3.641 20 0 CHADMP CCSC[C@@H](C)[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001173308607 1132449493 /nfs/dbraw/zinc/44/94/93/1132449493.db2.gz NKNUOUJVACRVAE-OAHLLOKOSA-N 2 1 298.540 3.857 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1(C)CC1 ZINC000842672811 1132449617 /nfs/dbraw/zinc/44/96/17/1132449617.db2.gz CZECOIVSMLGIES-AEFFLSMTSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1(C)CC1 ZINC000842672811 1132449620 /nfs/dbraw/zinc/44/96/20/1132449620.db2.gz CZECOIVSMLGIES-AEFFLSMTSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842699845 1132453387 /nfs/dbraw/zinc/45/33/87/1132453387.db2.gz FJKYPBMTLCGBAF-NZSAHSFTSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842699845 1132453389 /nfs/dbraw/zinc/45/33/89/1132453389.db2.gz FJKYPBMTLCGBAF-NZSAHSFTSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000842923230 1132475952 /nfs/dbraw/zinc/47/59/52/1132475952.db2.gz HMWXMCAVPUFPHR-NXHRZFHOSA-N 2 1 288.479 3.746 20 0 CHADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCCC4(CCCCC4)C3)C[C@@H]2C1 ZINC001173350494 1132476390 /nfs/dbraw/zinc/47/63/90/1132476390.db2.gz WDPDTCLMKSBYLO-FGTMMUONSA-N 2 1 290.495 3.763 20 0 CHADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCCC4(CCCCC4)C3)C[C@@H]2C1 ZINC001173350494 1132476397 /nfs/dbraw/zinc/47/63/97/1132476397.db2.gz WDPDTCLMKSBYLO-FGTMMUONSA-N 2 1 290.495 3.763 20 0 CHADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCCC4(CCCCC4)C3)C[C@@H]2C1 ZINC001173350494 1132476401 /nfs/dbraw/zinc/47/64/01/1132476401.db2.gz WDPDTCLMKSBYLO-FGTMMUONSA-N 2 1 290.495 3.763 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc2ccsc2c1 ZINC001232614387 1132495121 /nfs/dbraw/zinc/49/51/21/1132495121.db2.gz FJSSMNKAQROJOR-UHFFFAOYSA-N 2 1 276.449 3.675 20 0 CHADMP Cc1ccc(SCC[N@H+](C)C2CCC([NH3+])CC2)cc1C ZINC000843354687 1132522456 /nfs/dbraw/zinc/52/24/56/1132522456.db2.gz CELJNVAIHOGCPF-UHFFFAOYSA-N 2 1 292.492 3.597 20 0 CHADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363792 1132524445 /nfs/dbraw/zinc/52/44/45/1132524445.db2.gz QLHWDWJLEVIVTK-INIZCTEOSA-N 2 1 292.854 3.867 20 0 CHADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363885 1132524533 /nfs/dbraw/zinc/52/45/33/1132524533.db2.gz QLHWDWJLEVIVTK-MRXNPFEDSA-N 2 1 292.854 3.867 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206641082 1132569178 /nfs/dbraw/zinc/56/91/78/1132569178.db2.gz SGYNDQLKINHILE-CQSZACIVSA-N 2 1 280.843 3.518 20 0 CHADMP CCc1ccc(C)[nH+]c1Nc1ccccc1C[NH+](C)C ZINC001173927545 1132640444 /nfs/dbraw/zinc/64/04/44/1132640444.db2.gz GOBWLVPJWVQTNY-UHFFFAOYSA-N 2 1 269.392 3.758 20 0 CHADMP Cc1[nH+]c(NCCC[N@@H+]2CCCC[C@@H]2C)cc2[nH]ccc21 ZINC001156927937 1132716512 /nfs/dbraw/zinc/71/65/12/1132716512.db2.gz IKRBALIZOOJDOB-ZDUSSCGKSA-N 2 1 286.423 3.548 20 0 CHADMP C[NH+](C)CCC(C)(C)Nc1ccc(C(C)(C)C)c[nH+]1 ZINC001158760221 1132792355 /nfs/dbraw/zinc/79/23/55/1132792355.db2.gz LGINHWUKRGNNID-UHFFFAOYSA-N 2 1 263.429 3.521 20 0 CHADMP Cn1c2ccccc2[nH+]c1Nc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001159122667 1132810561 /nfs/dbraw/zinc/81/05/61/1132810561.db2.gz IXBFBXWZRDOABO-OAHLLOKOSA-N 2 1 292.386 3.741 20 0 CHADMP c1[nH+]c2ccccn2c1Nc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001159203611 1132815974 /nfs/dbraw/zinc/81/59/74/1132815974.db2.gz GGOCMKIXVHNMGP-HNNXBMFYSA-N 2 1 278.359 3.502 20 0 CHADMP c1cc2cc(Nc3ccc4c(c3)CC[NH2+]C4)ccc2c[nH+]1 ZINC001159448433 1132845372 /nfs/dbraw/zinc/84/53/72/1132845372.db2.gz UIZHBKRALWTRSX-UHFFFAOYSA-N 2 1 275.355 3.624 20 0 CHADMP CCC[NH+](CCC)c1ccc(NC2=CCC[NH2+]CC2)cc1 ZINC001159539339 1132861032 /nfs/dbraw/zinc/86/10/32/1132861032.db2.gz DGWVSNKZRDAHQG-UHFFFAOYSA-N 2 1 287.451 3.992 20 0 CHADMP CC[NH+](CC)c1ccc(NC=CC2CC[NH2+]CC2)c(C)c1 ZINC001159657427 1132884780 /nfs/dbraw/zinc/88/47/80/1132884780.db2.gz QYDZDSXVBQLARA-JLHYYAGUSA-N 2 1 287.451 3.766 20 0 CHADMP CC[NH+](CC)c1ccc(Nc2ccc3c(c2)C[C@@H]([NH3+])C3)cc1 ZINC001159833315 1132915083 /nfs/dbraw/zinc/91/50/83/1132915083.db2.gz VFGQXMXROGOEJX-INIZCTEOSA-N 2 1 295.430 3.702 20 0 CHADMP Cc1ccc2c(C)cc(N[C@H]3CCC[C@H]([NH3+])C3)[nH+]c2c1 ZINC001162396365 1133074330 /nfs/dbraw/zinc/07/43/30/1133074330.db2.gz ZAHIRQIJFMRWAZ-KBPBESRZSA-N 2 1 269.392 3.533 20 0 CHADMP C[N@@H+]1CCC[C@@H](CCNc2cc(C(C)(C)C)cc[nH+]2)C1 ZINC001165290276 1133236735 /nfs/dbraw/zinc/23/67/35/1133236735.db2.gz RMXGLAFXODFZDB-AWEZNQCLSA-N 2 1 275.440 3.523 20 0 CHADMP C[N@H+]1CCC[C@@H](CCNc2cc(C(C)(C)C)cc[nH+]2)C1 ZINC001165290276 1133236737 /nfs/dbraw/zinc/23/67/37/1133236737.db2.gz RMXGLAFXODFZDB-AWEZNQCLSA-N 2 1 275.440 3.523 20 0 CHADMP C[C@@H](CC[NH2+]Cc1ccc(-c2cccs2)cc1)[NH+](C)C ZINC001203271558 1133308946 /nfs/dbraw/zinc/30/89/46/1133308946.db2.gz VKASMOACULRPMT-AWEZNQCLSA-N 2 1 288.460 3.845 20 0 CHADMP Cc1ccc(C)c(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c1 ZINC001203746483 1133364219 /nfs/dbraw/zinc/36/42/19/1133364219.db2.gz KCBLGZRUKXXQSJ-UHFFFAOYSA-N 2 1 288.479 3.856 20 0 CHADMP Cc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC001204172231 1133414387 /nfs/dbraw/zinc/41/43/87/1133414387.db2.gz ZQWBQJKMZNECQZ-IBGZPJMESA-N 2 1 286.463 3.835 20 0 CHADMP C[C@H](CC1CCCCC1)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC001204441319 1133447560 /nfs/dbraw/zinc/44/75/60/1133447560.db2.gz JOTPOHBTOFLTEQ-AEFFLSMTSA-N 2 1 280.500 3.867 20 0 CHADMP C[C@H](CC1CCCCC1)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC001204441319 1133447562 /nfs/dbraw/zinc/44/75/62/1133447562.db2.gz JOTPOHBTOFLTEQ-AEFFLSMTSA-N 2 1 280.500 3.867 20 0 CHADMP C[C@H](CC1CCCCC1)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC001204441319 1133447564 /nfs/dbraw/zinc/44/75/64/1133447564.db2.gz JOTPOHBTOFLTEQ-AEFFLSMTSA-N 2 1 280.500 3.867 20 0 CHADMP Cc1c(C)c(C)c(C[N@@H+]2CCCC[C@@H]2C[NH3+])c(C)c1C ZINC001204933431 1133502437 /nfs/dbraw/zinc/50/24/37/1133502437.db2.gz TYSAIPATYBKZTA-QGZVFWFLSA-N 2 1 274.452 3.542 20 0 CHADMP Cc1c(C)c(C)c(C[N@H+]2CCCC[C@@H]2C[NH3+])c(C)c1C ZINC001204933431 1133502442 /nfs/dbraw/zinc/50/24/42/1133502442.db2.gz TYSAIPATYBKZTA-QGZVFWFLSA-N 2 1 274.452 3.542 20 0 CHADMP C[C@]1([NH3+])CCC[N@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC001204937742 1133503790 /nfs/dbraw/zinc/50/37/90/1133503790.db2.gz GDLXRJYYIQXFCC-IBGZPJMESA-N 2 1 294.398 3.899 20 0 CHADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC001204937742 1133503795 /nfs/dbraw/zinc/50/37/95/1133503795.db2.gz GDLXRJYYIQXFCC-IBGZPJMESA-N 2 1 294.398 3.899 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@@H+](CC[C@@H](C)CCCC(C)(C)OC)C1 ZINC001205001110 1133515367 /nfs/dbraw/zinc/51/53/67/1133515367.db2.gz OGYZXPMEZMYGLL-DLBZAZTESA-N 2 1 298.515 3.539 20 0 CHADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H](C)c2cccc3ccccc32)C1 ZINC001205002080 1133516423 /nfs/dbraw/zinc/51/64/23/1133516423.db2.gz YXFPUYVITYWACA-IRXDYDNUSA-N 2 1 296.458 3.875 20 0 CHADMP CC[NH+]1CCC(C[N@@H+](C)[C@@H](C)c2ccccc2F)CC1 ZINC001205077332 1133525401 /nfs/dbraw/zinc/52/54/01/1133525401.db2.gz LAZHNAVTDIEQBP-AWEZNQCLSA-N 2 1 278.415 3.550 20 0 CHADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)CC1 ZINC001205103113 1133530281 /nfs/dbraw/zinc/53/02/81/1133530281.db2.gz ZJFRVHWOITZYJD-LJQANCHMSA-N 2 1 298.405 3.806 20 0 CHADMP C[C@@H]1c2ccccc2CC[N@H+]1CCC[NH2+]C1CCCCC1 ZINC001205164354 1133539658 /nfs/dbraw/zinc/53/96/58/1133539658.db2.gz DESCIPZQGKBCCZ-MRXNPFEDSA-N 2 1 286.463 3.918 20 0 CHADMP C[C@@H]1c2ccccc2CC[N@@H+]1CCC[NH2+]C1CCCCC1 ZINC001205164354 1133539661 /nfs/dbraw/zinc/53/96/61/1133539661.db2.gz DESCIPZQGKBCCZ-MRXNPFEDSA-N 2 1 286.463 3.918 20 0 CHADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(F)c(C)c2)CC1 ZINC001205205786 1133546499 /nfs/dbraw/zinc/54/64/99/1133546499.db2.gz HWRJJVGJESVVCD-UHFFFAOYSA-N 2 1 292.442 3.830 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(F)c(C)c2)CC1 ZINC001205205786 1133546502 /nfs/dbraw/zinc/54/65/02/1133546502.db2.gz HWRJJVGJESVVCD-UHFFFAOYSA-N 2 1 292.442 3.830 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205255426 1133549645 /nfs/dbraw/zinc/54/96/45/1133549645.db2.gz IRXJYXJEGMLJKI-JKSUJKDBSA-N 2 1 252.446 3.572 20 0 CHADMP CC(C)c1ccc(CC[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001205257993 1133551860 /nfs/dbraw/zinc/55/18/60/1133551860.db2.gz ZUEVYIXZUPMYFL-GOSISDBHSA-N 2 1 274.452 3.556 20 0 CHADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc3ccccc3s2)CC1 ZINC001205266328 1133552450 /nfs/dbraw/zinc/55/24/50/1133552450.db2.gz TUHWCDWDXSVGSI-MRXNPFEDSA-N 2 1 274.433 3.605 20 0 CHADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2c[nH]c3c2cccc3Cl)CC1 ZINC001205273269 1133553916 /nfs/dbraw/zinc/55/39/16/1133553916.db2.gz JBWAPELEUZQQNX-MRXNPFEDSA-N 2 1 291.826 3.525 20 0 CHADMP CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205288522 1133554575 /nfs/dbraw/zinc/55/45/75/1133554575.db2.gz KYQDARXQWBZPHQ-GOSISDBHSA-N 2 1 290.451 3.567 20 0 CHADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(-c3ccccc3)o2)CC1 ZINC001205281824 1133554956 /nfs/dbraw/zinc/55/49/56/1133554956.db2.gz YPZJVJGQEWFEKM-SFHVURJKSA-N 2 1 284.403 3.650 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1CC[NH2+]CC[C@H]1C ZINC001205330977 1133562620 /nfs/dbraw/zinc/56/26/20/1133562620.db2.gz BOFRZAGLFPUUPX-QGZVFWFLSA-N 2 1 294.442 3.846 20 0 CHADMP CC1(C)CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC001205554197 1133587271 /nfs/dbraw/zinc/58/72/71/1133587271.db2.gz BKMCXXPNXSFSQM-RDJZCZTQSA-N 2 1 278.484 3.952 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1 ZINC001205570587 1133589123 /nfs/dbraw/zinc/58/91/23/1133589123.db2.gz MDLSBBSAOZUSQU-GOSISDBHSA-N 2 1 292.442 3.682 20 0 CHADMP Cc1c(C)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)ccc1Cl ZINC001205591354 1133592853 /nfs/dbraw/zinc/59/28/53/1133592853.db2.gz KYEQSFYNWFXOTN-INIZCTEOSA-N 2 1 298.833 3.610 20 0 CHADMP C[C@@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)CC[C@H]1C[NH3+] ZINC001205605053 1133594171 /nfs/dbraw/zinc/59/41/71/1133594171.db2.gz YTSRLAGPWLPZGD-ZBFHGGJFSA-N 2 1 294.870 3.579 20 0 CHADMP C[C@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)CC[C@@H]1C[NH3+] ZINC001205605051 1133594191 /nfs/dbraw/zinc/59/41/91/1133594191.db2.gz YTSRLAGPWLPZGD-GOEBONIOSA-N 2 1 294.870 3.579 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC001205716593 1133605774 /nfs/dbraw/zinc/60/57/74/1133605774.db2.gz JZGDQRBNRBSUNU-OTWHNJEPSA-N 2 1 286.463 3.787 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC001205716593 1133605780 /nfs/dbraw/zinc/60/57/80/1133605780.db2.gz JZGDQRBNRBSUNU-OTWHNJEPSA-N 2 1 286.463 3.787 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001205716594 1133606184 /nfs/dbraw/zinc/60/61/84/1133606184.db2.gz JZGDQRBNRBSUNU-QRVBRYPASA-N 2 1 286.463 3.787 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001205716594 1133606186 /nfs/dbraw/zinc/60/61/86/1133606186.db2.gz JZGDQRBNRBSUNU-QRVBRYPASA-N 2 1 286.463 3.787 20 0 CHADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC001205807029 1133616205 /nfs/dbraw/zinc/61/62/05/1133616205.db2.gz XIKHYRTYSCYUDV-RHSMWYFYSA-N 2 1 274.452 3.543 20 0 CHADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC001205807029 1133616207 /nfs/dbraw/zinc/61/62/07/1133616207.db2.gz XIKHYRTYSCYUDV-RHSMWYFYSA-N 2 1 274.452 3.543 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1 ZINC001205915787 1133629521 /nfs/dbraw/zinc/62/95/21/1133629521.db2.gz QLXBTZZFQDXAMF-KBPBESRZSA-N 2 1 280.843 3.516 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1 ZINC001205917194 1133630227 /nfs/dbraw/zinc/63/02/27/1133630227.db2.gz XHWXMPVBHHCSIY-MAUKXSAKSA-N 2 1 274.452 3.588 20 0 CHADMP CC(C)C[N@@H+](CCCCCC[NH3+])Cc1ccccc1 ZINC001205923502 1133631754 /nfs/dbraw/zinc/63/17/54/1133631754.db2.gz OSHNGXPUDBJICL-UHFFFAOYSA-N 2 1 262.441 3.664 20 0 CHADMP Cc1c(C)c(C)c(C[N@H+]2CCCC[C@H]([NH3+])C2)c(C)c1C ZINC001205931517 1133632676 /nfs/dbraw/zinc/63/26/76/1133632676.db2.gz KKQIPFDYNZSGPK-KRWDZBQOSA-N 2 1 274.452 3.542 20 0 CHADMP C[C@H]1C[N@@H+](CCCC2CCCCC2)CCC[C@H]1C[NH3+] ZINC001205981923 1133637713 /nfs/dbraw/zinc/63/77/13/1133637713.db2.gz JGGBXBSEMNHAHF-RDJZCZTQSA-N 2 1 266.473 3.654 20 0 CHADMP Cc1csc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1Cl ZINC001205995972 1133638989 /nfs/dbraw/zinc/63/89/89/1133638989.db2.gz SONYKGHODTZASA-JQWIXIFHSA-N 2 1 286.872 3.517 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206013153 1133641475 /nfs/dbraw/zinc/64/14/75/1133641475.db2.gz PRYAMNSNTKSVHD-WMZOPIPTSA-N 2 1 296.458 3.955 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](CC)Cc1ccccc1 ZINC001206127557 1133661123 /nfs/dbraw/zinc/66/11/23/1133661123.db2.gz IMGLRLGUIKCQQO-WMZOPIPTSA-N 2 1 276.468 3.718 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](CC)Cc1ccccc1 ZINC001206127557 1133661128 /nfs/dbraw/zinc/66/11/28/1133661128.db2.gz IMGLRLGUIKCQQO-WMZOPIPTSA-N 2 1 276.468 3.718 20 0 CHADMP CC1(C)C[C@@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001206255845 1133676475 /nfs/dbraw/zinc/67/64/75/1133676475.db2.gz GAHWEDGVJLDWGM-SZMVWBNQSA-N 2 1 284.447 3.743 20 0 CHADMP CC1(C)C[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001206255845 1133676478 /nfs/dbraw/zinc/67/64/78/1133676478.db2.gz GAHWEDGVJLDWGM-SZMVWBNQSA-N 2 1 284.447 3.743 20 0 CHADMP CC[C@H]1CCC[C@H](C[NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC001206256209 1133677460 /nfs/dbraw/zinc/67/74/60/1133677460.db2.gz NHVJEEKSEHJSFE-HOTGVXAUSA-N 2 1 266.473 3.667 20 0 CHADMP CC[C@H]1CCC[C@H](C[NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC001206256209 1133677464 /nfs/dbraw/zinc/67/74/64/1133677464.db2.gz NHVJEEKSEHJSFE-HOTGVXAUSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001206258076 1133677823 /nfs/dbraw/zinc/67/78/23/1133677823.db2.gz QGPMHOFMEFPPHE-AWEZNQCLSA-N 2 1 299.462 3.649 20 0 CHADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001206258076 1133677825 /nfs/dbraw/zinc/67/78/25/1133677825.db2.gz QGPMHOFMEFPPHE-AWEZNQCLSA-N 2 1 299.462 3.649 20 0 CHADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2c3ccccc3[nH]c2C(C)(C)C)C1 ZINC001206269206 1133679971 /nfs/dbraw/zinc/67/99/71/1133679971.db2.gz GSAKQDJDCQPMRE-AWEZNQCLSA-N 2 1 299.462 3.507 20 0 CHADMP CCc1cccc(C)c1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206325175 1133690137 /nfs/dbraw/zinc/69/01/37/1133690137.db2.gz GBVFVNVVBDAIJI-SFHVURJKSA-N 2 1 274.452 3.508 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206542336 1133714910 /nfs/dbraw/zinc/71/49/10/1133714910.db2.gz YNQCGMIIOBZRJG-IAGOWNOFSA-N 2 1 266.473 3.820 20 0 CHADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC001206554518 1133716622 /nfs/dbraw/zinc/71/66/22/1133716622.db2.gz DKWGQFKPFVSSIZ-SFHVURJKSA-N 2 1 272.436 3.515 20 0 CHADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2coc3ccc(F)cc23)C1 ZINC001206555366 1133717445 /nfs/dbraw/zinc/71/74/45/1133717445.db2.gz JVUHGIGKKVJRHZ-KRWDZBQOSA-N 2 1 290.382 3.523 20 0 CHADMP CC(C)[N@H+](Cc1ccccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC001206583430 1133722599 /nfs/dbraw/zinc/72/25/99/1133722599.db2.gz UPJNROBAUAKTGZ-OAHLLOKOSA-N 2 1 280.843 3.693 20 0 CHADMP CC(C)[N@@H+](Cc1ccccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC001206583430 1133722600 /nfs/dbraw/zinc/72/26/00/1133722600.db2.gz UPJNROBAUAKTGZ-OAHLLOKOSA-N 2 1 280.843 3.693 20 0 CHADMP CC(C)[N@@H+](Cc1ccc2ccn(C)c2c1)[C@H]1CCC[NH2+]CC1 ZINC001206590971 1133723136 /nfs/dbraw/zinc/72/31/36/1133723136.db2.gz OIOGVUXCFRMRRU-SFHVURJKSA-N 2 1 299.462 3.531 20 0 CHADMP [NH3+]C[C@@H]1CCCC[N@@H+](C[C@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001206606562 1133726637 /nfs/dbraw/zinc/72/66/37/1133726637.db2.gz PHFGOPMOCPKKKX-YSVLISHTSA-N 2 1 292.854 3.504 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206770179 1133745203 /nfs/dbraw/zinc/74/52/03/1133745203.db2.gz RWFSEBMDSUIROU-HOTGVXAUSA-N 2 1 282.431 3.707 20 0 CHADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cccc(-c2ccccc2)c1 ZINC001206770453 1133745358 /nfs/dbraw/zinc/74/53/58/1133745358.db2.gz SDIXTFVPNXDAFS-FUHWJXTLSA-N 2 1 294.442 3.913 20 0 CHADMP C[NH+]1CCC(CC[N@H+]2CC[C@@H](C3CCCCC3)C2)CC1 ZINC001207486067 1133805929 /nfs/dbraw/zinc/80/59/29/1133805929.db2.gz DCOHHMGWCSTZIU-GOSISDBHSA-N 2 1 278.484 3.621 20 0 CHADMP C[NH+](C)CC1(C[N@H+]2CCC23CCCCC3)CCCC1 ZINC001208184105 1133900541 /nfs/dbraw/zinc/90/05/41/1133900541.db2.gz IZQIMIKMRFYMOD-UHFFFAOYSA-N 2 1 264.457 3.517 20 0 CHADMP CCC[C@@H]1CCCC[N@H+]1CC1(C[NH+](C)C)CCCC1 ZINC001208192212 1133904426 /nfs/dbraw/zinc/90/44/26/1133904426.db2.gz QVKGXVFGVJNOJV-MRXNPFEDSA-N 2 1 266.473 3.763 20 0 CHADMP CC[N@H+](Cc1cccc(Cl)c1)CC1CC[NH+](CC)CC1 ZINC001208602591 1133919197 /nfs/dbraw/zinc/91/91/97/1133919197.db2.gz JETCYSWSJBEJGL-UHFFFAOYSA-N 2 1 294.870 3.894 20 0 CHADMP CC[NH+]1CCC(C[N@@H+](C)CCc2cccc(Cl)c2)CC1 ZINC001208597665 1133919257 /nfs/dbraw/zinc/91/92/57/1133919257.db2.gz KJAPUNKBBCMPIE-UHFFFAOYSA-N 2 1 294.870 3.546 20 0 CHADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2c2cccc(Cl)c2)C1 ZINC001208618521 1133919345 /nfs/dbraw/zinc/91/93/45/1133919345.db2.gz XUQWISYWTLKKQC-RHSMWYFYSA-N 2 1 292.854 3.819 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2c2cccc(Cl)c2)C1 ZINC001208618521 1133919347 /nfs/dbraw/zinc/91/93/47/1133919347.db2.gz XUQWISYWTLKKQC-RHSMWYFYSA-N 2 1 292.854 3.819 20 0 CHADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)C1 ZINC001208618521 1133919348 /nfs/dbraw/zinc/91/93/48/1133919348.db2.gz XUQWISYWTLKKQC-RHSMWYFYSA-N 2 1 292.854 3.819 20 0 CHADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)C1 ZINC001208618521 1133919353 /nfs/dbraw/zinc/91/93/53/1133919353.db2.gz XUQWISYWTLKKQC-RHSMWYFYSA-N 2 1 292.854 3.819 20 0 CHADMP CC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2Cl)CC1 ZINC001208600411 1133920306 /nfs/dbraw/zinc/92/03/06/1133920306.db2.gz REAIENWLNQLLQS-UHFFFAOYSA-N 2 1 280.843 3.504 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CCC2CC2)C3)cc1 ZINC001208686523 1133927503 /nfs/dbraw/zinc/92/75/03/1133927503.db2.gz MGLHYIJEMZAAAH-FQEVSTJZSA-N 2 1 298.474 3.775 20 0 CHADMP CC/C=C\CC[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001208729626 1133935524 /nfs/dbraw/zinc/93/55/24/1133935524.db2.gz FUKJCQXDPQCICO-ARJAWSKDSA-N 2 1 298.474 3.865 20 0 CHADMP CC(C)CCC[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001208736143 1133937669 /nfs/dbraw/zinc/93/76/69/1133937669.db2.gz CVCANKBYSLUOIL-IRXDYDNUSA-N 2 1 266.473 3.761 20 0 CHADMP CC(C)CCC[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001208736143 1133937671 /nfs/dbraw/zinc/93/76/71/1133937671.db2.gz CVCANKBYSLUOIL-IRXDYDNUSA-N 2 1 266.473 3.761 20 0 CHADMP CC(C)CCC[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001208736142 1133938042 /nfs/dbraw/zinc/93/80/42/1133938042.db2.gz CVCANKBYSLUOIL-DLBZAZTESA-N 2 1 266.473 3.761 20 0 CHADMP CC(C)CCC[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001208736142 1133938048 /nfs/dbraw/zinc/93/80/48/1133938048.db2.gz CVCANKBYSLUOIL-DLBZAZTESA-N 2 1 266.473 3.761 20 0 CHADMP CC[C@H]1c2ccccc2CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC001209452183 1134023942 /nfs/dbraw/zinc/02/39/42/1134023942.db2.gz GTJJMLFHPVWMAP-IBGZPJMESA-N 2 1 286.463 3.872 20 0 CHADMP Cc1cccc(-c2ccc(C[N@@H+]3CC[NH2+][C@H](C)CC3)cc2)c1 ZINC001210497090 1134229864 /nfs/dbraw/zinc/22/98/64/1134229864.db2.gz KQIQXONICGRLAE-QGZVFWFLSA-N 2 1 294.442 3.846 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3CC[NH2+][C@H](C)CC3)cc2)c1 ZINC001210497090 1134229870 /nfs/dbraw/zinc/22/98/70/1134229870.db2.gz KQIQXONICGRLAE-QGZVFWFLSA-N 2 1 294.442 3.846 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1CC[NH2+][C@@H](C)CC1 ZINC001210500033 1134230813 /nfs/dbraw/zinc/23/08/13/1134230813.db2.gz ZFVJVBZFZWPCOP-KRWDZBQOSA-N 2 1 294.442 3.846 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC001210500033 1134230815 /nfs/dbraw/zinc/23/08/15/1134230815.db2.gz ZFVJVBZFZWPCOP-KRWDZBQOSA-N 2 1 294.442 3.846 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000309931831 1135118768 /nfs/dbraw/zinc/11/87/68/1135118768.db2.gz WPFPVZLIVCWSDY-DABHTEOTSA-N 2 1 298.474 3.675 20 0 CHADMP CC(C)CC[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309910569 1135119084 /nfs/dbraw/zinc/11/90/84/1135119084.db2.gz RURAEIGPISJXFZ-SFHVURJKSA-N 2 1 274.452 3.534 20 0 CHADMP CC[NH+](CC)C[C@@H](C)[NH2+]CC1CCC(C(C)C)CC1 ZINC000311464720 1135130578 /nfs/dbraw/zinc/13/05/78/1135130578.db2.gz HBLHABHSJYUOIW-KLAILNCOSA-N 2 1 268.489 3.769 20 0 CHADMP c1ccc(C[N@H+](CC2CC[NH2+]CC2)C2CCCCC2)cc1 ZINC000410065509 1135136071 /nfs/dbraw/zinc/13/60/71/1135136071.db2.gz NKFOBSXSBQJHGK-UHFFFAOYSA-N 2 1 286.463 3.821 20 0 CHADMP c1ccc(C2=CC[N@H+](CCC[NH+]3CCCCC3)CC2)cc1 ZINC000193464428 1135151879 /nfs/dbraw/zinc/15/18/79/1135151879.db2.gz RRXAWVLMAPXNAX-UHFFFAOYSA-N 2 1 284.447 3.652 20 0 CHADMP c1ccc(C2=CC[N@@H+](CCC[NH+]3CCCCC3)CC2)cc1 ZINC000193464428 1135151885 /nfs/dbraw/zinc/15/18/85/1135151885.db2.gz RRXAWVLMAPXNAX-UHFFFAOYSA-N 2 1 284.447 3.652 20 0 CHADMP Cc1csc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222161883 1135203378 /nfs/dbraw/zinc/20/33/78/1135203378.db2.gz SFJALLXKTXSMNX-QGZVFWFLSA-N 2 1 292.492 3.802 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222231641 1135211706 /nfs/dbraw/zinc/21/17/06/1135211706.db2.gz OSWAKPFLMQYDIP-IRXDYDNUSA-N 2 1 264.457 3.587 20 0 CHADMP CCCCc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222249928 1135214962 /nfs/dbraw/zinc/21/49/62/1135214962.db2.gz YADVVSLGJIVQFN-LJQANCHMSA-N 2 1 286.463 3.747 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222249928 1135214967 /nfs/dbraw/zinc/21/49/67/1135214967.db2.gz YADVVSLGJIVQFN-LJQANCHMSA-N 2 1 286.463 3.747 20 0 CHADMP Cc1ccc([C@@H](C)CC[N@H+]2CCC[C@@]23CCC[NH2+]CC3)o1 ZINC001222310424 1135222905 /nfs/dbraw/zinc/22/29/05/1135222905.db2.gz UYSRBBLNKQPSAF-MAUKXSAKSA-N 2 1 290.451 3.690 20 0 CHADMP Cc1ccc2[nH]c(C[N@H+]3CCC[C@]34CCC[NH2+]CC4)cc2c1 ZINC001222316097 1135223993 /nfs/dbraw/zinc/22/39/93/1135223993.db2.gz SMKCKSPMCWLLRF-IBGZPJMESA-N 2 1 297.446 3.584 20 0 CHADMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222321561 1135225538 /nfs/dbraw/zinc/22/55/38/1135225538.db2.gz ZAUDRCNKWOEZBP-KRWDZBQOSA-N 2 1 292.854 3.757 20 0 CHADMP CCCc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)s1 ZINC001222316822 1135225608 /nfs/dbraw/zinc/22/56/08/1135225608.db2.gz YXQVTXCQYPVFFK-QGZVFWFLSA-N 2 1 292.492 3.809 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)c2ccccc12 ZINC001222345221 1135229323 /nfs/dbraw/zinc/22/93/23/1135229323.db2.gz JMAGEXSFCINULK-FQEVSTJZSA-N 2 1 294.442 3.866 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)c2ccccc12 ZINC001222345221 1135229328 /nfs/dbraw/zinc/22/93/28/1135229328.db2.gz JMAGEXSFCINULK-FQEVSTJZSA-N 2 1 294.442 3.866 20 0 CHADMP c1ccc(CCCCC[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222344841 1135229571 /nfs/dbraw/zinc/22/95/71/1135229571.db2.gz DQMYDTSEINIVEK-LJQANCHMSA-N 2 1 286.463 3.617 20 0 CHADMP c1ccc(CCCCC[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222344841 1135229573 /nfs/dbraw/zinc/22/95/73/1135229573.db2.gz DQMYDTSEINIVEK-LJQANCHMSA-N 2 1 286.463 3.617 20 0 CHADMP C(CC1CCCCC1)C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222344842 1135229716 /nfs/dbraw/zinc/22/97/16/1135229716.db2.gz DRHMFACWAPJTKJ-KRWDZBQOSA-N 2 1 264.457 3.565 20 0 CHADMP C(CC1CCCCC1)C[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222344842 1135229717 /nfs/dbraw/zinc/22/97/17/1135229717.db2.gz DRHMFACWAPJTKJ-KRWDZBQOSA-N 2 1 264.457 3.565 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385717 1135234062 /nfs/dbraw/zinc/23/40/62/1135234062.db2.gz VBGZVGFSABGUDE-MSOLQXFVSA-N 2 1 278.484 3.977 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222464729 1135244302 /nfs/dbraw/zinc/24/43/02/1135244302.db2.gz DLGFAFNBJHCVOC-SJORKVTESA-N 2 1 264.457 3.587 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222464729 1135244305 /nfs/dbraw/zinc/24/43/05/1135244305.db2.gz DLGFAFNBJHCVOC-SJORKVTESA-N 2 1 264.457 3.587 20 0 CHADMP Cc1cc(CO[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc(C)n1 ZINC001223425748 1135344294 /nfs/dbraw/zinc/34/42/94/1135344294.db2.gz SXVVEKLWDPVPOI-PIIMJCKOSA-N 2 1 288.435 3.619 20 0 CHADMP CC(C)(C)c1ccc(C[NH+]2CCC3(CCC[NH2+]3)CC2)cc1 ZINC001226786055 1135741433 /nfs/dbraw/zinc/74/14/33/1135741433.db2.gz UYONDYPFANOQLT-UHFFFAOYSA-N 2 1 286.463 3.702 20 0 CHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(Cl)c1 ZINC000096971779 185144619 /nfs/dbraw/zinc/14/46/19/185144619.db2.gz HMNMTWYKQDVLCQ-MRXNPFEDSA-N 2 1 280.843 3.646 20 0 CHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(Cl)c1 ZINC000096971779 185144621 /nfs/dbraw/zinc/14/46/21/185144621.db2.gz HMNMTWYKQDVLCQ-MRXNPFEDSA-N 2 1 280.843 3.646 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccc(Cl)c1 ZINC000096971779 185144622 /nfs/dbraw/zinc/14/46/22/185144622.db2.gz HMNMTWYKQDVLCQ-MRXNPFEDSA-N 2 1 280.843 3.646 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccc(Cl)c1 ZINC000096971779 185144624 /nfs/dbraw/zinc/14/46/24/185144624.db2.gz HMNMTWYKQDVLCQ-MRXNPFEDSA-N 2 1 280.843 3.646 20 0 CHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1coc2ccccc12 ZINC000353645746 529929803 /nfs/dbraw/zinc/92/98/03/529929803.db2.gz BUVYAJJAVDFQIL-INIZCTEOSA-N 2 1 286.419 3.739 20 0 CHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1coc2ccccc12 ZINC000353645746 529929804 /nfs/dbraw/zinc/92/98/04/529929804.db2.gz BUVYAJJAVDFQIL-INIZCTEOSA-N 2 1 286.419 3.739 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1coc2ccccc12 ZINC000353645746 529929806 /nfs/dbraw/zinc/92/98/06/529929806.db2.gz BUVYAJJAVDFQIL-INIZCTEOSA-N 2 1 286.419 3.739 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1coc2ccccc12 ZINC000353645746 529929807 /nfs/dbraw/zinc/92/98/07/529929807.db2.gz BUVYAJJAVDFQIL-INIZCTEOSA-N 2 1 286.419 3.739 20 0 CHADMP CC[NH2+]CCC[NH2+][C@H]1CCCOc2c(C(C)C)cccc21 ZINC000573593156 334950205 /nfs/dbraw/zinc/95/02/05/334950205.db2.gz BDMPWFSWZZBQPA-KRWDZBQOSA-N 2 1 290.451 3.613 20 0 CHADMP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](CCC)C1 ZINC000574601028 335033078 /nfs/dbraw/zinc/03/30/78/335033078.db2.gz QIKFRSWDGWUANX-ARFHVFGLSA-N 2 1 254.462 3.523 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000221914804 262323648 /nfs/dbraw/zinc/32/36/48/262323648.db2.gz BIUAQSYVLMXXNS-GXTWGEPZSA-N 2 1 298.521 3.993 20 0 CHADMP CC(C)CC[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000020545055 171242918 /nfs/dbraw/zinc/24/29/18/171242918.db2.gz OJFUJKXEAOUBNN-HOTGVXAUSA-N 2 1 254.462 3.665 20 0 CHADMP CCC(CC)[C@H](C[NH2+]C1CCC(CC)CC1)[NH+](C)C ZINC000021516706 171312958 /nfs/dbraw/zinc/31/29/58/171312958.db2.gz LPEJCVYLQBADCK-PREGVCBESA-N 2 1 268.489 3.911 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)c(C)o1 ZINC000038041924 174044159 /nfs/dbraw/zinc/04/41/59/174044159.db2.gz HIBCNLWPKQVJOG-DZGCQCFKSA-N 2 1 278.440 3.669 20 0 CHADMP CCCCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000078775211 177385737 /nfs/dbraw/zinc/38/57/37/177385737.db2.gz UEZDVZOPGUTSGG-IRXDYDNUSA-N 2 1 266.473 3.763 20 0 CHADMP CCCCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000078775211 177385738 /nfs/dbraw/zinc/38/57/38/177385738.db2.gz UEZDVZOPGUTSGG-IRXDYDNUSA-N 2 1 266.473 3.763 20 0 CHADMP CCCCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000078775211 177385740 /nfs/dbraw/zinc/38/57/40/177385740.db2.gz UEZDVZOPGUTSGG-IRXDYDNUSA-N 2 1 266.473 3.763 20 0 CHADMP Cc1ccc2ncc(CN[C@@H]3CSc4ccccc43)n2c1 ZINC000344439607 225074565 /nfs/dbraw/zinc/07/45/65/225074565.db2.gz UGEXWBILQYRULY-OAHLLOKOSA-N 2 1 295.411 3.579 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2)CC[C@H]1[NH3+] ZINC000347058563 226008136 /nfs/dbraw/zinc/00/81/36/226008136.db2.gz WRDJPWPKNGNSAB-DNVCBOLYSA-N 2 1 280.415 3.523 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000353292967 228081104 /nfs/dbraw/zinc/08/11/04/228081104.db2.gz QGTZXFWBDXONGW-CHWSQXEVSA-N 2 1 299.409 3.631 20 0 CHADMP Cc1cc(Cl)cc(C[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000353313021 228084457 /nfs/dbraw/zinc/08/44/57/228084457.db2.gz ZCDVUJDXULYEKK-UHFFFAOYSA-N 2 1 280.843 3.566 20 0 CHADMP Cc1cc(Cl)cc(C[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000353313021 228084458 /nfs/dbraw/zinc/08/44/58/228084458.db2.gz ZCDVUJDXULYEKK-UHFFFAOYSA-N 2 1 280.843 3.566 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000037649104 260115560 /nfs/dbraw/zinc/11/55/60/260115560.db2.gz CPWICGKPQTUAFJ-CXAGYDPISA-N 2 1 292.854 3.865 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000037878836 260119009 /nfs/dbraw/zinc/11/90/09/260119009.db2.gz VYHNAVSVIJXEGE-OAHLLOKOSA-N 2 1 290.451 3.609 20 0 CHADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169795 260152656 /nfs/dbraw/zinc/15/26/56/260152656.db2.gz JKLOVEUAEPAVKZ-NWDGAFQWSA-N 2 1 284.806 3.601 20 0 CHADMP CC(C)c1ccc([C@H](C)[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000070171482 260153594 /nfs/dbraw/zinc/15/35/94/260153594.db2.gz PMZCRRSZHVWILH-VKJFTORMSA-N 2 1 274.452 3.930 20 0 CHADMP C[N@@H+](CCCc1ccc(Cl)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000525486868 260197312 /nfs/dbraw/zinc/19/73/12/260197312.db2.gz KPIQLNQQYXKUDX-INIZCTEOSA-N 2 1 294.870 3.546 20 0 CHADMP C[NH+](CCCc1ccc(Cl)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000525486868 260197313 /nfs/dbraw/zinc/19/73/13/260197313.db2.gz KPIQLNQQYXKUDX-INIZCTEOSA-N 2 1 294.870 3.546 20 0 CHADMP C[NH+](CCCc1ccc(Cl)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000525486868 260197315 /nfs/dbraw/zinc/19/73/15/260197315.db2.gz KPIQLNQQYXKUDX-INIZCTEOSA-N 2 1 294.870 3.546 20 0 CHADMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C(C)(C)C)CC2)CC1 ZINC000086955378 260210983 /nfs/dbraw/zinc/21/09/83/260210983.db2.gz HKIZMPDMIBBHOW-HUUCEWRRSA-N 2 1 266.473 3.665 20 0 CHADMP C1C[C@@H]2C[C@H]([NH2+][C@H]3CCCC34CCCCC4)CC[N@H+]2C1 ZINC000313037047 260240342 /nfs/dbraw/zinc/24/03/42/260240342.db2.gz NEKVRRIQQNLPFY-ZACQAIPSSA-N 2 1 276.468 3.706 20 0 CHADMP CCCC1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000088164252 260280136 /nfs/dbraw/zinc/28/01/36/260280136.db2.gz JGLMCEXBJNDJRW-CSRJKQTDSA-N 2 1 278.484 3.950 20 0 CHADMP CCCC1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000088164252 260280137 /nfs/dbraw/zinc/28/01/37/260280137.db2.gz JGLMCEXBJNDJRW-CSRJKQTDSA-N 2 1 278.484 3.950 20 0 CHADMP CCCC[C@H](CC)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164087 260280325 /nfs/dbraw/zinc/28/03/25/260280325.db2.gz CZEWSCZXIBFZNM-HNSVSWJLSA-N 2 1 252.446 3.560 20 0 CHADMP CCCC[C@H](CC)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164087 260280327 /nfs/dbraw/zinc/28/03/27/260280327.db2.gz CZEWSCZXIBFZNM-HNSVSWJLSA-N 2 1 252.446 3.560 20 0 CHADMP C[C@@H](c1ccccc1Cl)[N@@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000094021284 260342874 /nfs/dbraw/zinc/34/28/74/260342874.db2.gz HLPBYCSOEDMRLK-ZDUSSCGKSA-N 2 1 292.854 3.865 20 0 CHADMP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000130122679 260394065 /nfs/dbraw/zinc/39/40/65/260394065.db2.gz MIIDCWDURZPSBY-YQQAZPJKSA-N 2 1 290.451 3.607 20 0 CHADMP CC(C)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000052378997 261089653 /nfs/dbraw/zinc/08/96/53/261089653.db2.gz IKBXKXBCJFDOFS-OAHLLOKOSA-N 2 1 260.425 3.559 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CCN([C@@H]2CCc3c2cccc3Cl)C1 ZINC000155045346 261097715 /nfs/dbraw/zinc/09/77/15/261097715.db2.gz QPJRXPDBRWFOPC-SUMWQHHRSA-N 2 1 292.854 3.601 20 0 CHADMP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000155045346 261097716 /nfs/dbraw/zinc/09/77/16/261097716.db2.gz QPJRXPDBRWFOPC-SUMWQHHRSA-N 2 1 292.854 3.601 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000155045346 261097717 /nfs/dbraw/zinc/09/77/17/261097717.db2.gz QPJRXPDBRWFOPC-SUMWQHHRSA-N 2 1 292.854 3.601 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000155045346 261097719 /nfs/dbraw/zinc/09/77/19/261097719.db2.gz QPJRXPDBRWFOPC-SUMWQHHRSA-N 2 1 292.854 3.601 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000155045346 261097721 /nfs/dbraw/zinc/09/77/21/261097721.db2.gz QPJRXPDBRWFOPC-SUMWQHHRSA-N 2 1 292.854 3.601 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1ccccc1)C(C)C ZINC000163591782 261322853 /nfs/dbraw/zinc/32/28/53/261322853.db2.gz DTVAHVLBDGLXIK-GOSISDBHSA-N 2 1 285.435 3.959 20 0 CHADMP C[C@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccoc1 ZINC000309729142 262007187 /nfs/dbraw/zinc/00/71/87/262007187.db2.gz OKVNALBFFCDKKO-QFBILLFUSA-N 2 1 298.430 3.842 20 0 CHADMP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccoc1 ZINC000309729142 262007189 /nfs/dbraw/zinc/00/71/89/262007189.db2.gz OKVNALBFFCDKKO-QFBILLFUSA-N 2 1 298.430 3.842 20 0 CHADMP C[C@H](CC[NH2+][C@@H](C)c1ccc(Cl)nc1)[NH+]1CCCCC1 ZINC000184498161 262021629 /nfs/dbraw/zinc/02/16/29/262021629.db2.gz ADQBNAUROYVQEC-KGLIPLIRSA-N 2 1 295.858 3.650 20 0 CHADMP Cc1cccc(N2CCC([NH2+][C@H]3CCC[C@@H]3C3CC3)CC2)[nH+]1 ZINC000497398579 262155135 /nfs/dbraw/zinc/15/51/35/262155135.db2.gz GCVVSMIAFPMWIK-MSOLQXFVSA-N 2 1 299.462 3.527 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000094338961 262197468 /nfs/dbraw/zinc/19/74/68/262197468.db2.gz HOZPSIKIMBSFJW-BEFAXECRSA-N 2 1 280.415 3.523 20 0 CHADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000502721300 262226156 /nfs/dbraw/zinc/22/61/56/262226156.db2.gz IPDYHIFIXGMJKG-SJORKVTESA-N 2 1 292.854 3.961 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000502721300 262226157 /nfs/dbraw/zinc/22/61/57/262226157.db2.gz IPDYHIFIXGMJKG-SJORKVTESA-N 2 1 292.854 3.961 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000502721300 262226159 /nfs/dbraw/zinc/22/61/59/262226159.db2.gz IPDYHIFIXGMJKG-SJORKVTESA-N 2 1 292.854 3.961 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000502721300 262226163 /nfs/dbraw/zinc/22/61/63/262226163.db2.gz IPDYHIFIXGMJKG-SJORKVTESA-N 2 1 292.854 3.961 20 0 CHADMP CC(C)[N@@H+](C)CCCN[C@@H]1C[C@H](C)Sc2sccc21 ZINC000221914804 262323645 /nfs/dbraw/zinc/32/36/45/262323645.db2.gz BIUAQSYVLMXXNS-GXTWGEPZSA-N 2 1 298.521 3.993 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000221914804 262323647 /nfs/dbraw/zinc/32/36/47/262323647.db2.gz BIUAQSYVLMXXNS-GXTWGEPZSA-N 2 1 298.521 3.993 20 0 CHADMP CCC[NH+]1CCC([NH2+]Cc2c(C)oc3ccccc32)CC1 ZINC000121245704 262336246 /nfs/dbraw/zinc/33/62/46/262336246.db2.gz SZCCCOCUHKAKJD-UHFFFAOYSA-N 2 1 286.419 3.705 20 0 CHADMP CCCC[NH+]1CCC([NH2+][C@H]2CCCc3occc32)CC1 ZINC000122190685 262344957 /nfs/dbraw/zinc/34/49/57/262344957.db2.gz JKNDNGDRULMHES-INIZCTEOSA-N 2 1 276.424 3.511 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](Cc2ccccc2)C(C)C)C1 ZINC000187048731 262377435 /nfs/dbraw/zinc/37/74/35/262377435.db2.gz BZEVSBDEVZHCQV-MOPGFXCFSA-N 2 1 288.479 3.575 20 0 CHADMP C[C@H]1C[C@H](C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)CC[NH2+]1 ZINC000414758784 263039575 /nfs/dbraw/zinc/03/95/75/263039575.db2.gz CUJGXXUWOXFFSI-ZRSLWSEBSA-N 2 1 298.474 3.785 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000414760822 263040057 /nfs/dbraw/zinc/04/00/57/263040057.db2.gz HQWZBGIKERKLKY-MOPGFXCFSA-N 2 1 298.474 3.572 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1csc2ccccc12 ZINC000414813170 263053318 /nfs/dbraw/zinc/05/33/18/263053318.db2.gz MBZMHEDHJOUPQQ-ZDUSSCGKSA-N 2 1 262.422 3.508 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+]C1CCC(c2ccccc2)CC1 ZINC000414851011 263058226 /nfs/dbraw/zinc/05/82/26/263058226.db2.gz OHLGANQFJXYXEI-DAWZGUTISA-N 2 1 274.452 3.676 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415032811 263256711 /nfs/dbraw/zinc/25/67/11/263256711.db2.gz AWFMQGQIHOHBPX-YOEHRIQHSA-N 2 1 292.854 3.612 20 0 CHADMP C[C@H](CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000415034644 263257113 /nfs/dbraw/zinc/25/71/13/263257113.db2.gz CVBCXYWSCVEGJX-NZSAHSFTSA-N 2 1 286.463 3.644 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]CCC(C)(C)C ZINC000187670894 263266566 /nfs/dbraw/zinc/26/65/66/263266566.db2.gz LBDKYZIHNWALNG-OAHLLOKOSA-N 2 1 254.462 3.667 20 0 CHADMP CCC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1F ZINC000415078296 263267855 /nfs/dbraw/zinc/26/78/55/263267855.db2.gz GKRHZUKIPNEGNK-CZUORRHYSA-N 2 1 282.378 3.538 20 0 CHADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1F ZINC000415106146 263273747 /nfs/dbraw/zinc/27/37/47/263273747.db2.gz MQMUYVIGGXXQOS-PKOBYXMFSA-N 2 1 298.405 3.717 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](C)CCc1ccccc1 ZINC000343191866 263675037 /nfs/dbraw/zinc/67/50/37/263675037.db2.gz IVYYZUMZJZXQLL-IAGOWNOFSA-N 2 1 299.462 3.686 20 0 CHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000189320242 264294832 /nfs/dbraw/zinc/29/48/32/264294832.db2.gz QHXARJSDNVVBGF-ZDUSSCGKSA-N 2 1 298.833 3.689 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000189320242 264294833 /nfs/dbraw/zinc/29/48/33/264294833.db2.gz QHXARJSDNVVBGF-ZDUSSCGKSA-N 2 1 298.833 3.689 20 0 CHADMP CCCc1cccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000518837995 265122431 /nfs/dbraw/zinc/12/24/31/265122431.db2.gz GPHVFNSDAQVLRX-RBUKOAKNSA-N 2 1 286.463 3.555 20 0 CHADMP CCCc1cccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000518837995 265122434 /nfs/dbraw/zinc/12/24/34/265122434.db2.gz GPHVFNSDAQVLRX-RBUKOAKNSA-N 2 1 286.463 3.555 20 0 CHADMP CCCc1cccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000518837995 265122435 /nfs/dbraw/zinc/12/24/35/265122435.db2.gz GPHVFNSDAQVLRX-RBUKOAKNSA-N 2 1 286.463 3.555 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000348240491 265147779 /nfs/dbraw/zinc/14/77/79/265147779.db2.gz IBIXIGBDIHYSNH-QRQLOZEOSA-N 2 1 286.463 3.500 20 0 CHADMP CSc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)s1 ZINC000356344930 266098743 /nfs/dbraw/zinc/09/87/43/266098743.db2.gz NZOWDUDLOFSIHM-FUNVUKJBSA-N 2 1 296.505 3.527 20 0 CHADMP CSc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)s1 ZINC000356344930 266098746 /nfs/dbraw/zinc/09/87/46/266098746.db2.gz NZOWDUDLOFSIHM-FUNVUKJBSA-N 2 1 296.505 3.527 20 0 CHADMP CSc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000356344930 266098750 /nfs/dbraw/zinc/09/87/50/266098750.db2.gz NZOWDUDLOFSIHM-FUNVUKJBSA-N 2 1 296.505 3.527 20 0 CHADMP CSc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000356344930 266098752 /nfs/dbraw/zinc/09/87/52/266098752.db2.gz NZOWDUDLOFSIHM-FUNVUKJBSA-N 2 1 296.505 3.527 20 0 CHADMP C[NH+](C)C1(C[NH2+]C2CCC3(CC3)CC2)CCCCC1 ZINC000362911309 267059401 /nfs/dbraw/zinc/05/94/01/267059401.db2.gz ARCLXZIGWGLYID-UHFFFAOYSA-N 2 1 264.457 3.563 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000371088912 267349945 /nfs/dbraw/zinc/34/99/45/267349945.db2.gz PTZPVLVLAWXDSN-CVEARBPZSA-N 2 1 292.854 3.673 20 0 CHADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)o1 ZINC000531430202 327905830 /nfs/dbraw/zinc/90/58/30/327905830.db2.gz ZPESTAMRKVKRTL-NVXWUHKLSA-N 2 1 278.440 3.578 20 0 CHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc2ccccc2o1 ZINC000531614657 328019151 /nfs/dbraw/zinc/01/91/51/328019151.db2.gz ZEAACHAESLRHTL-MRXNPFEDSA-N 2 1 286.419 3.739 20 0 CHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc2ccccc2o1 ZINC000531614657 328019153 /nfs/dbraw/zinc/01/91/53/328019153.db2.gz ZEAACHAESLRHTL-MRXNPFEDSA-N 2 1 286.419 3.739 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cc2ccccc2o1 ZINC000531614657 328019154 /nfs/dbraw/zinc/01/91/54/328019154.db2.gz ZEAACHAESLRHTL-MRXNPFEDSA-N 2 1 286.419 3.739 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cc2ccccc2o1 ZINC000531614657 328019155 /nfs/dbraw/zinc/01/91/55/328019155.db2.gz ZEAACHAESLRHTL-MRXNPFEDSA-N 2 1 286.419 3.739 20 0 CHADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1Cl ZINC000531689112 328024446 /nfs/dbraw/zinc/02/44/46/328024446.db2.gz VWXTXUPQJKTIPV-CYBMUJFWSA-N 2 1 298.858 3.730 20 0 CHADMP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1Cl ZINC000531689112 328024448 /nfs/dbraw/zinc/02/44/48/328024448.db2.gz VWXTXUPQJKTIPV-CYBMUJFWSA-N 2 1 298.858 3.730 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000531700577 328025679 /nfs/dbraw/zinc/02/56/79/328025679.db2.gz REXPJBNLASSRIO-DYVFJYSZSA-N 2 1 292.854 3.649 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000531700580 328025686 /nfs/dbraw/zinc/02/56/86/328025686.db2.gz REXPJBNLASSRIO-SUMWQHHRSA-N 2 1 292.854 3.649 20 0 CHADMP CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC000531702189 328026318 /nfs/dbraw/zinc/02/63/18/328026318.db2.gz IXPREWODCUVPSE-HUUCEWRRSA-N 2 1 262.441 3.663 20 0 CHADMP CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC000531702190 328026351 /nfs/dbraw/zinc/02/63/51/328026351.db2.gz IXPREWODCUVPSE-LSDHHAIUSA-N 2 1 262.441 3.663 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1)c1c[nH+]ccc1N ZINC000571156486 328088918 /nfs/dbraw/zinc/08/89/18/328088918.db2.gz GCFNVPNBYZBVQG-NOLJZWGESA-N 2 1 299.393 3.620 20 0 CHADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(-c2ccccc2)c1 ZINC000571578191 328134817 /nfs/dbraw/zinc/13/48/17/328134817.db2.gz GKKVZHHZFNPFOA-KXBFYZLASA-N 2 1 280.415 3.665 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2C(C)(C)C)[C@H](C)C1 ZINC000414309071 328154351 /nfs/dbraw/zinc/15/43/51/328154351.db2.gz UKHHNVYVKVLABA-LVQVYYBASA-N 2 1 266.473 3.521 20 0 CHADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC2CCC(c3ccccc3)CC2)C1 ZINC000414655070 328208693 /nfs/dbraw/zinc/20/86/93/328208693.db2.gz CTHCBFGCRYDQSE-JVGQSUMCSA-N 2 1 286.463 3.630 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414684953 328214257 /nfs/dbraw/zinc/21/42/57/328214257.db2.gz XPSVKSNSLYWJCX-RYRKJORJSA-N 2 1 272.436 3.520 20 0 CHADMP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(Cl)nc1 ZINC000276907337 328220096 /nfs/dbraw/zinc/22/00/96/328220096.db2.gz OLJMGMKTAPCHHS-CYBMUJFWSA-N 2 1 295.858 3.508 20 0 CHADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414872642 328246128 /nfs/dbraw/zinc/24/61/28/328246128.db2.gz GGNPKTJJWFUGTL-MSOLQXFVSA-N 2 1 289.467 3.510 20 0 CHADMP C/C(Cl)=C/C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000528458040 328287113 /nfs/dbraw/zinc/28/71/13/328287113.db2.gz RIXLZJMWTITLJU-CURRHTEISA-N 2 1 292.854 3.629 20 0 CHADMP CCSc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000534496748 328304756 /nfs/dbraw/zinc/30/47/56/328304756.db2.gz VAICCWUGKMOYHX-HUUCEWRRSA-N 2 1 292.492 3.791 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](CC2CC2)c2ccccc2)CC1 ZINC000531931688 328320402 /nfs/dbraw/zinc/32/04/02/328320402.db2.gz IGKHUBMABDLGTR-SFHVURJKSA-N 2 1 272.436 3.602 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1Cl ZINC000049856205 328380356 /nfs/dbraw/zinc/38/03/56/328380356.db2.gz RGRJXPDKYNHSNC-KBPBESRZSA-N 2 1 280.843 3.865 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccccc1Cl ZINC000049856205 328380357 /nfs/dbraw/zinc/38/03/57/328380357.db2.gz RGRJXPDKYNHSNC-KBPBESRZSA-N 2 1 280.843 3.865 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1Cl ZINC000049856207 328380240 /nfs/dbraw/zinc/38/02/40/328380240.db2.gz RGRJXPDKYNHSNC-KGLIPLIRSA-N 2 1 280.843 3.865 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccccc1Cl ZINC000049856207 328380242 /nfs/dbraw/zinc/38/02/42/328380242.db2.gz RGRJXPDKYNHSNC-KGLIPLIRSA-N 2 1 280.843 3.865 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000535063759 328382007 /nfs/dbraw/zinc/38/20/07/328382007.db2.gz DFZYQEBIAVFRBD-NSHDSACASA-N 2 1 295.789 3.725 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000038098169 326871099 /nfs/dbraw/zinc/87/10/99/326871099.db2.gz DFOJIQRVOUYINT-OALUTQOASA-N 2 1 286.463 3.787 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCC2(C)C)CC1 ZINC000556588769 326953325 /nfs/dbraw/zinc/95/33/25/326953325.db2.gz HIPJQPKJBJNSLD-GOSISDBHSA-N 2 1 286.463 3.738 20 0 CHADMP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261584269 327000593 /nfs/dbraw/zinc/00/05/93/327000593.db2.gz HUYIZJUXNDRSJN-JLBHGKSJSA-N 2 1 299.245 3.724 20 0 CHADMP C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261584269 327000594 /nfs/dbraw/zinc/00/05/94/327000594.db2.gz HUYIZJUXNDRSJN-JLBHGKSJSA-N 2 1 299.245 3.724 20 0 CHADMP CC(C)c1ccc([C@H](C)[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000261721557 327035194 /nfs/dbraw/zinc/03/51/94/327035194.db2.gz KGSXJCNNIYCPGI-XDKFSHSGSA-N 2 1 272.436 3.540 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000558569600 327106882 /nfs/dbraw/zinc/10/68/82/327106882.db2.gz KEJFUMJFJBKFGJ-HZPDHXFCSA-N 2 1 262.441 3.500 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000558569600 327106883 /nfs/dbraw/zinc/10/68/83/327106883.db2.gz KEJFUMJFJBKFGJ-HZPDHXFCSA-N 2 1 262.441 3.500 20 0 CHADMP CC[NH+]1CCC([N@H+](C)C[C@H](C)C2CCCCC2)CC1 ZINC000559106931 327141495 /nfs/dbraw/zinc/14/14/95/327141495.db2.gz OWPHVPGYKZESLK-HNNXBMFYSA-N 2 1 266.473 3.619 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)C[C@H](C)C2CCCCC2)CC1 ZINC000559106931 327141497 /nfs/dbraw/zinc/14/14/97/327141497.db2.gz OWPHVPGYKZESLK-HNNXBMFYSA-N 2 1 266.473 3.619 20 0 CHADMP Cc1ccc2cc[nH+]c(NC3CC[NH+](C4CC4)CC3)c2c1 ZINC000564653085 327160026 /nfs/dbraw/zinc/16/00/26/327160026.db2.gz XSRBJHMEIVCFJN-UHFFFAOYSA-N 2 1 281.403 3.582 20 0 CHADMP CC(C)C1([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000559327494 327160040 /nfs/dbraw/zinc/16/00/40/327160040.db2.gz UFHMZCYLFNVNAB-WMZOPIPTSA-N 2 1 286.463 3.818 20 0 CHADMP CC(C)C1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000559327494 327160041 /nfs/dbraw/zinc/16/00/41/327160041.db2.gz UFHMZCYLFNVNAB-WMZOPIPTSA-N 2 1 286.463 3.818 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccc(Cl)cc2)[C@H](C)C1 ZINC000445207797 327171447 /nfs/dbraw/zinc/17/14/47/327171447.db2.gz CLLJYBUMURKIER-PBHICJAKSA-N 2 1 294.870 3.545 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccc(Cl)cc2)[C@H](C)C1 ZINC000445207797 327171449 /nfs/dbraw/zinc/17/14/49/327171449.db2.gz CLLJYBUMURKIER-PBHICJAKSA-N 2 1 294.870 3.545 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccc(Cl)cc2)[C@H](C)C1 ZINC000445207797 327171450 /nfs/dbraw/zinc/17/14/50/327171450.db2.gz CLLJYBUMURKIER-PBHICJAKSA-N 2 1 294.870 3.545 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000569411035 327174231 /nfs/dbraw/zinc/17/42/31/327174231.db2.gz SASHSEFNFKAWHH-UHFFFAOYSA-N 2 1 299.462 3.975 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC000569411035 327174232 /nfs/dbraw/zinc/17/42/32/327174232.db2.gz SASHSEFNFKAWHH-UHFFFAOYSA-N 2 1 299.462 3.975 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C/C(C)=C/c2ccccc2)[C@H](C)C1 ZINC000093639234 327198824 /nfs/dbraw/zinc/19/88/24/327198824.db2.gz TZACIYWDEMMGGA-OXDQUIRFSA-N 2 1 286.463 3.752 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C/C(C)=C/c2ccccc2)[C@H](C)C1 ZINC000093639234 327198825 /nfs/dbraw/zinc/19/88/25/327198825.db2.gz TZACIYWDEMMGGA-OXDQUIRFSA-N 2 1 286.463 3.752 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C/C(C)=C/c2ccccc2)[C@H](C)C1 ZINC000093639234 327198827 /nfs/dbraw/zinc/19/88/27/327198827.db2.gz TZACIYWDEMMGGA-OXDQUIRFSA-N 2 1 286.463 3.752 20 0 CHADMP CC(C)C[C@H](C)C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000584258734 327202726 /nfs/dbraw/zinc/20/27/26/327202726.db2.gz FUMCIRSWFPGIAX-DLBZAZTESA-N 2 1 268.489 3.626 20 0 CHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC(C)(C)Cc3occc32)C1 ZINC000151109141 327210172 /nfs/dbraw/zinc/21/01/72/327210172.db2.gz ZUPJRJLMWGMVEI-GDBMZVCRSA-N 2 1 290.451 3.615 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC(C)(C)Cc3occc32)C1 ZINC000151109141 327210173 /nfs/dbraw/zinc/21/01/73/327210173.db2.gz ZUPJRJLMWGMVEI-GDBMZVCRSA-N 2 1 290.451 3.615 20 0 CHADMP C[C@H]1C[C@H]1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000560544040 327322774 /nfs/dbraw/zinc/32/27/74/327322774.db2.gz YWJRFOMEVXALOH-HKUYNNGSSA-N 2 1 298.474 3.631 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261807946 327352997 /nfs/dbraw/zinc/35/29/97/327352997.db2.gz ZKODUUBDZUYHMX-BEFAXECRSA-N 2 1 280.415 3.586 20 0 CHADMP Cc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000583709259 329093425 /nfs/dbraw/zinc/09/34/25/329093425.db2.gz SNPMIYVZCOHQNF-ZACQAIPSSA-N 2 1 298.430 3.704 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000178975714 329203602 /nfs/dbraw/zinc/20/36/02/329203602.db2.gz ZDLQBCKNWJTAIB-UONOGXRCSA-N 2 1 294.870 3.763 20 0 CHADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000180405735 329216042 /nfs/dbraw/zinc/21/60/42/329216042.db2.gz CAFHKNRNOBRURG-MRXNPFEDSA-N 2 1 290.451 3.756 20 0 CHADMP CC(C)=CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183682215 329249470 /nfs/dbraw/zinc/24/94/70/329249470.db2.gz JWALMPJZKRHBTJ-CQSZACIVSA-N 2 1 269.392 3.798 20 0 CHADMP Cc1ncccc1C[NH2+]C(C)(C)CC[NH+]1CCCCCC1 ZINC000185159435 329266728 /nfs/dbraw/zinc/26/67/28/329266728.db2.gz IARHXGODGBYJOM-UHFFFAOYSA-N 2 1 289.467 3.524 20 0 CHADMP C(C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)CC1CCCCC1 ZINC000395150361 329281527 /nfs/dbraw/zinc/28/15/27/329281527.db2.gz HXWPDUMULYOMOL-IRXDYDNUSA-N 2 1 264.457 3.563 20 0 CHADMP Cc1cc(Cl)cc(C[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000395201423 329284394 /nfs/dbraw/zinc/28/43/94/329284394.db2.gz MIXOWJHCCUUPHG-UHFFFAOYSA-N 2 1 280.843 3.611 20 0 CHADMP CCC1(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CCC1 ZINC000582955458 329293615 /nfs/dbraw/zinc/29/36/15/329293615.db2.gz ZQNKRFHBCXACQB-ZWKOTPCHSA-N 2 1 286.463 3.992 20 0 CHADMP CCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CCC1 ZINC000582955458 329293616 /nfs/dbraw/zinc/29/36/16/329293616.db2.gz ZQNKRFHBCXACQB-ZWKOTPCHSA-N 2 1 286.463 3.992 20 0 CHADMP CC[C@H]1CC[C@H]1[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000582983190 329293967 /nfs/dbraw/zinc/29/39/67/329293967.db2.gz XTTQYTBFXHESFG-ZWKOTPCHSA-N 2 1 274.452 3.805 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000582994020 329294646 /nfs/dbraw/zinc/29/46/46/329294646.db2.gz GIZDARIMIUXBOC-MCIONIFRSA-N 2 1 294.405 3.818 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000582994020 329294648 /nfs/dbraw/zinc/29/46/48/329294648.db2.gz GIZDARIMIUXBOC-MCIONIFRSA-N 2 1 294.405 3.818 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](CCC(C)C)C(C)(C)C)CC1 ZINC000583076554 329310650 /nfs/dbraw/zinc/31/06/50/329310650.db2.gz HNHWZYIICDNZAE-MRXNPFEDSA-N 2 1 268.489 3.911 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CCC(F)(F)CC1 ZINC000459787666 329393453 /nfs/dbraw/zinc/39/34/53/329393453.db2.gz PRSXWWRIFRUXLJ-UONOGXRCSA-N 2 1 288.426 3.522 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(C2CC2)cc1 ZINC000419333083 329717718 /nfs/dbraw/zinc/71/77/18/329717718.db2.gz IFQTXYRDIOZKQJ-CQSZACIVSA-N 2 1 283.419 3.810 20 0 CHADMP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379616605 330141988 /nfs/dbraw/zinc/14/19/88/330141988.db2.gz CSJWTKLRWKRCLI-MDZRGWNJSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379616605 330141990 /nfs/dbraw/zinc/14/19/90/330141990.db2.gz CSJWTKLRWKRCLI-MDZRGWNJSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379624743 330143366 /nfs/dbraw/zinc/14/33/66/330143366.db2.gz DYFJFKBDGVQYHD-APWZRJJASA-N 2 1 286.463 3.962 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000379624743 330143368 /nfs/dbraw/zinc/14/33/68/330143368.db2.gz DYFJFKBDGVQYHD-APWZRJJASA-N 2 1 286.463 3.962 20 0 CHADMP CC(C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379643616 330144872 /nfs/dbraw/zinc/14/48/72/330144872.db2.gz BKVTWCWGPSPPNY-SJLPKXTDSA-N 2 1 274.452 3.675 20 0 CHADMP CC(C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379643616 330144874 /nfs/dbraw/zinc/14/48/74/330144874.db2.gz BKVTWCWGPSPPNY-SJLPKXTDSA-N 2 1 274.452 3.675 20 0 CHADMP c1ccc(C2CCC(C[NH+]3CCC4(CC[NH2+]4)CC3)CC2)cc1 ZINC000422562203 330149341 /nfs/dbraw/zinc/14/93/41/330149341.db2.gz PJXPMMLWTVNVMU-UHFFFAOYSA-N 2 1 298.474 3.788 20 0 CHADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422707374 330151057 /nfs/dbraw/zinc/15/10/57/330151057.db2.gz WMUMEXAZPLCUSI-YSHGAJCASA-N 2 1 286.463 3.896 20 0 CHADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000422736743 330152684 /nfs/dbraw/zinc/15/26/84/330152684.db2.gz WLJXMJIUPKTGSU-DJLDLDEBSA-N 2 1 293.213 3.909 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cccc2ccccc21 ZINC000422759155 330153717 /nfs/dbraw/zinc/15/37/17/330153717.db2.gz KUEYDEJUNIQVAP-GLJUWKHASA-N 2 1 268.404 3.631 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1Cl ZINC000422772485 330154372 /nfs/dbraw/zinc/15/43/72/330154372.db2.gz ZCHBVIKDNZGXBT-WSMDXJOWSA-N 2 1 299.245 3.927 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(Cl)ccc1Cl ZINC000422781238 330154947 /nfs/dbraw/zinc/15/49/47/330154947.db2.gz LFEPIZJWDVVFSF-CMPLNLGQSA-N 2 1 287.234 3.786 20 0 CHADMP CCC(CC)(C[NH2+][C@H](C)c1c[nH+]ccc1N)c1ccccc1 ZINC000422787727 330155125 /nfs/dbraw/zinc/15/51/25/330155125.db2.gz ABDNPFGMZHOAEL-OAHLLOKOSA-N 2 1 297.446 3.903 20 0 CHADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H](c2cccs2)C2CC2)c2ccccc21 ZINC000422792361 330155379 /nfs/dbraw/zinc/15/53/79/330155379.db2.gz DNIFLVOWYKRDAV-VYDXJSESSA-N 2 1 284.428 3.934 20 0 CHADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000422850522 330157455 /nfs/dbraw/zinc/15/74/55/330157455.db2.gz VZFSPIZTKJXCIC-RBSFLKMASA-N 2 1 294.439 3.612 20 0 CHADMP CC(C)[C@H]([NH2+][C@H](C)C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000423340123 330192119 /nfs/dbraw/zinc/19/21/19/330192119.db2.gz WWTXMRCVBYLZOM-RNCFNFMXSA-N 2 1 275.223 3.627 20 0 CHADMP CCCOc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422898670 330159465 /nfs/dbraw/zinc/15/94/65/330159465.db2.gz MNXUUARXLFRSDF-RBUKOAKNSA-N 2 1 296.414 3.710 20 0 CHADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000422992699 330163176 /nfs/dbraw/zinc/16/31/76/330163176.db2.gz QDRNTEMFWYIBLX-PSASIEDQSA-N 2 1 293.263 3.533 20 0 CHADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000422958491 330164267 /nfs/dbraw/zinc/16/42/67/330164267.db2.gz PIXYMMGVFAHTBZ-DKIMLUQUSA-N 2 1 272.436 3.648 20 0 CHADMP CC(C)[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Cl)cc1F ZINC000423029017 330166160 /nfs/dbraw/zinc/16/61/60/330166160.db2.gz HIGSEZMJCNRRFM-HNNXBMFYSA-N 2 1 284.806 3.518 20 0 CHADMP Cc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)ccc1Cl ZINC000423040731 330166917 /nfs/dbraw/zinc/16/69/17/330166917.db2.gz UZCOBYQDASGDEX-SJORKVTESA-N 2 1 286.806 3.883 20 0 CHADMP Cc1oc2ccccc2c1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423053497 330167439 /nfs/dbraw/zinc/16/74/39/330167439.db2.gz SQECHCWDUJQROF-MSOLQXFVSA-N 2 1 292.382 3.976 20 0 CHADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)c2ccccc21 ZINC000423089017 330168991 /nfs/dbraw/zinc/16/89/91/330168991.db2.gz UGRTWOWLEYSMKX-GUDVDZBRSA-N 2 1 296.389 3.938 20 0 CHADMP CSCc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000423113465 330170707 /nfs/dbraw/zinc/17/07/07/330170707.db2.gz UGGRUSBSMFDFGN-ROUUACIJSA-N 2 1 298.455 3.784 20 0 CHADMP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423160116 330173749 /nfs/dbraw/zinc/17/37/49/330173749.db2.gz GXVMWCXNXLRXFL-VVLHAWIVSA-N 2 1 258.409 3.546 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CC2([NH3+])CCCCC2)c2ccsc2S1 ZINC000423177263 330174986 /nfs/dbraw/zinc/17/49/86/330174986.db2.gz ITHWQVBFXKVWQZ-WCQYABFASA-N 2 1 296.505 3.925 20 0 CHADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(Cl)s1 ZINC000423179572 330175229 /nfs/dbraw/zinc/17/52/29/330175229.db2.gz MMQFXWZCIHJXPA-JTQLQIEISA-N 2 1 272.845 3.714 20 0 CHADMP C[NH2+]CCC[NH2+][C@H](C)c1ccccc1OCc1ccccc1 ZINC000423191595 330175875 /nfs/dbraw/zinc/17/58/75/330175875.db2.gz SYUIUJLCAWCJMT-MRXNPFEDSA-N 2 1 298.430 3.526 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(-c2ccccc2)o1 ZINC000423203353 330176998 /nfs/dbraw/zinc/17/69/98/330176998.db2.gz CHRMWKMWBSNRKF-HUUCEWRRSA-N 2 1 284.403 3.597 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1F ZINC000423211315 330177957 /nfs/dbraw/zinc/17/79/57/330177957.db2.gz KWTLBVNREHFVSD-RISCZKNCSA-N 2 1 284.806 3.519 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(Cl)cc(Cl)c1 ZINC000423213096 330178349 /nfs/dbraw/zinc/17/83/49/330178349.db2.gz KPBFADWKYKZDES-XRZZRIDCSA-N 2 1 299.245 3.927 20 0 CHADMP Cc1cccc([C@H]([NH2+]CC[C@H](C)[NH3+])c2cccc(F)c2)c1 ZINC000423223256 330180148 /nfs/dbraw/zinc/18/01/48/330180148.db2.gz FPYMTFGIQYFSRR-KSSFIOAISA-N 2 1 286.394 3.550 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000423259229 330183390 /nfs/dbraw/zinc/18/33/90/330183390.db2.gz DIQGCCLGVXWFOH-HYVNUMGLSA-N 2 1 294.870 3.939 20 0 CHADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccsc1 ZINC000423259178 330183475 /nfs/dbraw/zinc/18/34/75/330183475.db2.gz DDKOSECRPJFWOC-GJZGRUSLSA-N 2 1 266.454 3.696 20 0 CHADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000423259882 330183522 /nfs/dbraw/zinc/18/35/22/330183522.db2.gz FWNJAOJOYHELRN-PWSUYJOCSA-N 2 1 272.795 3.503 20 0 CHADMP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423265136 330184064 /nfs/dbraw/zinc/18/40/64/330184064.db2.gz ATVRAIVWVYSBDW-ACJLOTCBSA-N 2 1 299.462 3.551 20 0 CHADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(-c2ccccc2)s1 ZINC000423266719 330184110 /nfs/dbraw/zinc/18/41/10/330184110.db2.gz CBYDSYHHNLVKTA-WFASDCNBSA-N 2 1 286.444 3.803 20 0 CHADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000423267679 330184386 /nfs/dbraw/zinc/18/43/86/330184386.db2.gz DBCAOUCMNYIXEN-UONOGXRCSA-N 2 1 287.234 3.771 20 0 CHADMP CC(C)Sc1ccc([C@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000423281372 330185536 /nfs/dbraw/zinc/18/55/36/330185536.db2.gz BDFNUMLAFIWCPD-LBPRGKRZSA-N 2 1 266.454 3.575 20 0 CHADMP CC(C)([NH3+])C[NH2+][C@H](c1cc2ccccc2o1)C(C)(C)C ZINC000423287497 330186236 /nfs/dbraw/zinc/18/62/36/330186236.db2.gz MQYNTIBHBCCVBH-OAHLLOKOSA-N 2 1 274.408 3.847 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000423286973 330186239 /nfs/dbraw/zinc/18/62/39/330186239.db2.gz JTQIOFAGFXCYAZ-JTQLQIEISA-N 2 1 272.795 3.647 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000423288681 330186639 /nfs/dbraw/zinc/18/66/39/330186639.db2.gz UJHAUIJQTFCQLS-GFCCVEGCSA-N 2 1 260.381 3.601 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](CCC)c1ccsc1 ZINC000423297354 330188595 /nfs/dbraw/zinc/18/85/95/330188595.db2.gz JXSYIQOIPGCZDQ-KBPBESRZSA-N 2 1 254.443 3.696 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000423298130 330188677 /nfs/dbraw/zinc/18/86/77/330188677.db2.gz NHARIQPQWURROR-ZBFHGGJFSA-N 2 1 278.440 3.642 20 0 CHADMP C[C@H](C[NH3+])[NH2+][C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000423315659 330189714 /nfs/dbraw/zinc/18/97/14/330189714.db2.gz AFBBUOXAMJMFSB-WQVCFCJDSA-N 2 1 280.843 3.693 20 0 CHADMP [NH3+][C@H](C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1)C1CC1 ZINC000423313176 330189729 /nfs/dbraw/zinc/18/97/29/330189729.db2.gz FGWSNIGBKHQCOE-HUUCEWRRSA-N 2 1 299.245 3.771 20 0 CHADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000423315658 330189789 /nfs/dbraw/zinc/18/97/89/330189789.db2.gz AFBBUOXAMJMFSB-UHOFOFEASA-N 2 1 280.843 3.693 20 0 CHADMP CC(C)Sc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423317880 330190109 /nfs/dbraw/zinc/19/01/09/330190109.db2.gz KUCZZZNYBGTMSB-LRDDRELGSA-N 2 1 278.465 3.575 20 0 CHADMP CC(C)C[C@H]([NH2+][C@H](C)C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423321914 330190242 /nfs/dbraw/zinc/19/02/42/330190242.db2.gz IBPHSXZGWJRJPW-RISCZKNCSA-N 2 1 288.357 3.729 20 0 CHADMP Cc1ccc2cc([C@@H](C)[NH2+]C[C@@]3(C)CCC[NH2+]C3)oc2c1 ZINC000423327153 330190549 /nfs/dbraw/zinc/19/05/49/330190549.db2.gz CXSXKBVHBQKWQB-KDOFPFPSSA-N 2 1 286.419 3.782 20 0 CHADMP CC[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc(Cl)c1F ZINC000423327205 330190700 /nfs/dbraw/zinc/19/07/00/330190700.db2.gz DCADLRLQNSYBBZ-GDBMZVCRSA-N 2 1 298.833 3.910 20 0 CHADMP CC(C)(C)[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc2ccccc2o1 ZINC000423331815 330191152 /nfs/dbraw/zinc/19/11/52/330191152.db2.gz UWUMPVVFBSVTPJ-RHSMWYFYSA-N 2 1 286.419 3.847 20 0 CHADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423355734 330193449 /nfs/dbraw/zinc/19/34/49/330193449.db2.gz GABGMNPYYFPROK-ZIAGYGMSSA-N 2 1 272.392 3.534 20 0 CHADMP Cc1cccc(COc2ccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])cc2)c1 ZINC000423360977 330193534 /nfs/dbraw/zinc/19/35/34/330193534.db2.gz GIZZKDJPFYXVIC-JKSUJKDBSA-N 2 1 298.430 3.572 20 0 CHADMP CC(C)C[C@H]([NH2+][C@@H](C)C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423362475 330194092 /nfs/dbraw/zinc/19/40/92/330194092.db2.gz IBPHSXZGWJRJPW-FZMZJTMJSA-N 2 1 288.357 3.729 20 0 CHADMP CC(C)[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(Cl)cc1F ZINC000423367916 330194668 /nfs/dbraw/zinc/19/46/68/330194668.db2.gz AUHDTOYEKQRYGT-FFSVYQOJSA-N 2 1 298.833 3.906 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cccc(Cl)c1Cl ZINC000423396356 330195680 /nfs/dbraw/zinc/19/56/80/330195680.db2.gz NSNAMEAENOPDRO-KWBADKCTSA-N 2 1 287.234 3.642 20 0 CHADMP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423376223 330198675 /nfs/dbraw/zinc/19/86/75/330198675.db2.gz KXDQXWPOIUGOOJ-RDBSUJKOSA-N 2 1 286.419 3.786 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cccc(Cl)c1Cl ZINC000423375187 330198729 /nfs/dbraw/zinc/19/87/29/330198729.db2.gz XPLZAOYDGZCBDL-GHMZBOCLSA-N 2 1 287.234 3.786 20 0 CHADMP Cc1ccc2cc([C@H](C)[NH2+][C@H]3CC[NH2+][C@@H](C)C3)oc2c1 ZINC000423377722 330199035 /nfs/dbraw/zinc/19/90/35/330199035.db2.gz KGPLMQIMXRWYBM-YDHLFZDLSA-N 2 1 272.392 3.532 20 0 CHADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000423457410 330203525 /nfs/dbraw/zinc/20/35/25/330203525.db2.gz FOUGXRRVDJRTPM-DGCLKSJQSA-N 2 1 284.856 3.594 20 0 CHADMP CC[C@@H]([NH3+])C[NH2+][C@H](CC)c1ccc(Cl)c(Cl)c1 ZINC000423461103 330204108 /nfs/dbraw/zinc/20/41/08/330204108.db2.gz JJWKCKHIFZAWFE-ZWNOBZJWSA-N 2 1 275.223 3.771 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423512503 330209432 /nfs/dbraw/zinc/20/94/32/330209432.db2.gz UTAMHPZYVBVSRF-GDZNZVCISA-N 2 1 294.870 3.939 20 0 CHADMP C[C@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CCCC2)c2ccsc2S1 ZINC000423517067 330209858 /nfs/dbraw/zinc/20/98/58/330209858.db2.gz YNCYCYIGMRHGPM-LEWSCRJBSA-N 2 1 296.505 3.781 20 0 CHADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(-c2ccccc2)o1 ZINC000423530707 330210383 /nfs/dbraw/zinc/21/03/83/330210383.db2.gz RTCGVOGMPQVBQB-CQSZACIVSA-N 2 1 284.403 3.739 20 0 CHADMP Cc1ccc([C@H]([NH2+]CCC[NH2+]C2CC2)C2CCCC2)o1 ZINC000423570005 330212047 /nfs/dbraw/zinc/21/20/47/330212047.db2.gz WOJURDOZVWHNSD-QGZVFWFLSA-N 2 1 276.424 3.551 20 0 CHADMP COc1ccc([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c2ccccc12 ZINC000423570793 330212248 /nfs/dbraw/zinc/21/22/48/330212248.db2.gz XDBHTORJVSRSIG-GJZGRUSLSA-N 2 1 298.430 3.641 20 0 CHADMP C[C@H](C[NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(F)cc1 ZINC000527116831 330223345 /nfs/dbraw/zinc/22/33/45/330223345.db2.gz LAUAPSUSCLHHEP-CVEARBPZSA-N 2 1 292.442 3.783 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000527682510 330271166 /nfs/dbraw/zinc/27/11/66/330271166.db2.gz HJZAHRHFUSROGQ-UXHICEINSA-N 2 1 298.474 3.954 20 0 CHADMP CC(C)Cc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000527733818 330278320 /nfs/dbraw/zinc/27/83/20/330278320.db2.gz RCMAVRXNCSPYDS-MOPGFXCFSA-N 2 1 286.463 3.602 20 0 CHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CC23CC3)CC1 ZINC000527865722 330285531 /nfs/dbraw/zinc/28/55/31/330285531.db2.gz ODRPIXBZTZZCEY-FCEWJHQRSA-N 2 1 298.474 3.990 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC12CC2 ZINC000527869702 330285959 /nfs/dbraw/zinc/28/59/59/330285959.db2.gz WDNCHSNUHKPADW-JFRXWTBNSA-N 2 1 298.474 3.675 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC12CC2 ZINC000527869702 330285960 /nfs/dbraw/zinc/28/59/60/330285960.db2.gz WDNCHSNUHKPADW-JFRXWTBNSA-N 2 1 298.474 3.675 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)[C@@H]2CC23CC3)CC1 ZINC000527847632 330287930 /nfs/dbraw/zinc/28/79/30/330287930.db2.gz HFDHHGUIGBKPGH-APWZRJJASA-N 2 1 298.474 3.738 20 0 CHADMP Cc1cccc([C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C(C)C)c1 ZINC000527848862 330288052 /nfs/dbraw/zinc/28/80/52/330288052.db2.gz KFSMMYVLWZLEQP-APWZRJJASA-N 2 1 286.463 3.766 20 0 CHADMP CC(C)c1cccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000527850767 330288305 /nfs/dbraw/zinc/28/83/05/330288305.db2.gz NZTYWPYVYPCWRB-CVEARBPZSA-N 2 1 286.463 3.945 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)[C@H]2CC23CC3)cc1F ZINC000527851843 330288375 /nfs/dbraw/zinc/28/83/75/330288375.db2.gz MWPYADKNAMARJM-SWLSCSKDSA-N 2 1 299.393 3.598 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@@H]2CC23CC3)c1 ZINC000527854443 330288686 /nfs/dbraw/zinc/28/86/86/330288686.db2.gz SLHRBAUDHJDYEM-QAPCUYQASA-N 2 1 286.463 3.805 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)CCc2ccccc2)C1 ZINC000527855324 330288914 /nfs/dbraw/zinc/28/89/14/330288914.db2.gz WAYUZHBNFUUNNI-MOPGFXCFSA-N 2 1 288.479 3.719 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC12CC2 ZINC000527887969 330291944 /nfs/dbraw/zinc/29/19/44/330291944.db2.gz VEJRTLQROBQMLE-ISARSNTHSA-N 2 1 298.474 3.675 20 0 CHADMP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000424188946 330322055 /nfs/dbraw/zinc/32/20/55/330322055.db2.gz CTQVFVMBMJQVCC-JOCLIGHLSA-N 2 1 298.474 3.818 20 0 CHADMP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000424188946 330322056 /nfs/dbraw/zinc/32/20/56/330322056.db2.gz CTQVFVMBMJQVCC-JOCLIGHLSA-N 2 1 298.474 3.818 20 0 CHADMP Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000044534199 330329712 /nfs/dbraw/zinc/32/97/12/330329712.db2.gz BZCDDUFVZXAZQB-IRXDYDNUSA-N 2 1 274.452 3.604 20 0 CHADMP CC(C)c1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000045041134 330337347 /nfs/dbraw/zinc/33/73/47/330337347.db2.gz GALXETAEKRUEOP-IIDMSEBBSA-N 2 1 274.452 3.628 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H](C2CCC2)C2CCCCC2)CC[N@@H+]1C ZINC000424319782 330340032 /nfs/dbraw/zinc/34/00/32/330340032.db2.gz SILAEQVBEBUXCX-JLSDUUJJSA-N 2 1 278.484 3.808 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H](C2CCC2)C2CCCCC2)CC[N@H+]1C ZINC000424319782 330340033 /nfs/dbraw/zinc/34/00/33/330340033.db2.gz SILAEQVBEBUXCX-JLSDUUJJSA-N 2 1 278.484 3.808 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C2CCC2)C[C@@H]1c1ccccc1 ZINC000424325021 330341148 /nfs/dbraw/zinc/34/11/48/330341148.db2.gz KRPKFPZOOCQORV-INDMIFKZSA-N 2 1 284.447 3.600 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C2CCC2)C[C@@H]1c1ccccc1 ZINC000424325021 330341149 /nfs/dbraw/zinc/34/11/49/330341149.db2.gz KRPKFPZOOCQORV-INDMIFKZSA-N 2 1 284.447 3.600 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)c(F)c1 ZINC000212784973 330367388 /nfs/dbraw/zinc/36/73/88/330367388.db2.gz MIRWXKCCARMSDT-GMXVVIOVSA-N 2 1 284.806 3.612 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)c(F)c1 ZINC000212784973 330367389 /nfs/dbraw/zinc/36/73/89/330367389.db2.gz MIRWXKCCARMSDT-GMXVVIOVSA-N 2 1 284.806 3.612 20 0 CHADMP CC[C@@H](C)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121014257 330394946 /nfs/dbraw/zinc/39/49/46/330394946.db2.gz LZMZWUKWZVKTAZ-MRXNPFEDSA-N 2 1 274.452 3.629 20 0 CHADMP CC[C@@H](C)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121014257 330394947 /nfs/dbraw/zinc/39/49/47/330394947.db2.gz LZMZWUKWZVKTAZ-MRXNPFEDSA-N 2 1 274.452 3.629 20 0 CHADMP CCC(CC)[C@@H]([NH2+]CCn1cc[nH+]c1C)c1ccccc1 ZINC000537052167 330395151 /nfs/dbraw/zinc/39/51/51/330395151.db2.gz VEKJJUNOTJCJOR-GOSISDBHSA-N 2 1 285.435 3.959 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000090964343 330397288 /nfs/dbraw/zinc/39/72/88/330397288.db2.gz NSNHKKMVHSZSBZ-JGTCGTHISA-N 2 1 290.426 3.521 20 0 CHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C2CC(C)(C)C2)CC1 ZINC000433121995 330617649 /nfs/dbraw/zinc/61/76/49/330617649.db2.gz UHBFFOBBPGNAMH-OAHLLOKOSA-N 2 1 286.463 3.990 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCC12CCCCC2 ZINC000449072457 330897181 /nfs/dbraw/zinc/89/71/81/330897181.db2.gz KKZWFIXVKGBASL-DOTOQJQBSA-N 2 1 289.467 3.920 20 0 CHADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCCC(C)(C)C2)s1 ZINC000449746441 330947723 /nfs/dbraw/zinc/94/77/23/330947723.db2.gz GEODCXMEDHYGER-ZDUSSCGKSA-N 2 1 295.496 3.511 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc(C2CC2)c1 ZINC000451108990 331015762 /nfs/dbraw/zinc/01/57/62/331015762.db2.gz AYXOLXYLGUJHFN-KBXCAEBGSA-N 2 1 272.436 3.699 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc(C2CC2)c1 ZINC000451108991 331015780 /nfs/dbraw/zinc/01/57/80/331015780.db2.gz AYXOLXYLGUJHFN-KDOFPFPSSA-N 2 1 272.436 3.699 20 0 CHADMP CCC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)C(C)(C)C ZINC000451442131 331029729 /nfs/dbraw/zinc/02/97/29/331029729.db2.gz UGLSNAPCFNETGD-DZGCQCFKSA-N 2 1 265.445 3.632 20 0 CHADMP C[C@H](CCCC(F)(F)F)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000163447010 331040268 /nfs/dbraw/zinc/04/02/68/331040268.db2.gz JOTQACVWLZZOMW-RLAWYHOSSA-N 2 1 292.389 3.712 20 0 CHADMP C[C@H](CCCC(F)(F)F)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000163447010 331040269 /nfs/dbraw/zinc/04/02/69/331040269.db2.gz JOTQACVWLZZOMW-RLAWYHOSSA-N 2 1 292.389 3.712 20 0 CHADMP C[C@H](CCCC(F)(F)F)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000163484521 331046197 /nfs/dbraw/zinc/04/61/97/331046197.db2.gz RRCPKZMTOSFRPT-GFCCVEGCSA-N 2 1 280.378 3.572 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H](C1CC1)C1CCC1 ZINC000453067537 331086112 /nfs/dbraw/zinc/08/61/12/331086112.db2.gz XWGZGDVWHRYGCF-QAPCUYQASA-N 2 1 278.484 3.809 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000453178867 331097674 /nfs/dbraw/zinc/09/76/74/331097674.db2.gz UFJZRCNPVNRYQE-MAUKXSAKSA-N 2 1 278.484 3.523 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc2c(s1)CCC2 ZINC000453373183 331124404 /nfs/dbraw/zinc/12/44/04/331124404.db2.gz WWAVOFNWTCBBNE-PRTUASRFSA-N 2 1 290.476 3.513 20 0 CHADMP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccccc1F ZINC000453389324 331126965 /nfs/dbraw/zinc/12/69/65/331126965.db2.gz CBSNXSGMYOMAMH-QGZVFWFLSA-N 2 1 278.415 3.741 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@H]1CCCC[C@H]1C ZINC000453389990 331127151 /nfs/dbraw/zinc/12/71/51/331127151.db2.gz CPNYATBBTAROID-INMHGKMJSA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccccn1 ZINC000453394330 331127798 /nfs/dbraw/zinc/12/77/98/331127798.db2.gz GPTRYINVIWEDGZ-SFHVURJKSA-N 2 1 289.467 3.633 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@@H]1CC(C)(C)c2ccccc21)C1CC1 ZINC000453396431 331128057 /nfs/dbraw/zinc/12/80/57/331128057.db2.gz ISVAJQDLTMOQDI-GOSISDBHSA-N 2 1 286.463 3.873 20 0 CHADMP CC(C)[C@H]1CCCC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453404734 331129148 /nfs/dbraw/zinc/12/91/48/331129148.db2.gz PPDFDSBZWONCON-SJORKVTESA-N 2 1 266.473 3.665 20 0 CHADMP Cc1ccc2cc(C[NH2+]CCCC[N@H+](C)C3CC3)ccc2n1 ZINC000453597528 331135601 /nfs/dbraw/zinc/13/56/01/331135601.db2.gz NYXFMYLAFNCUPM-UHFFFAOYSA-N 2 1 297.446 3.507 20 0 CHADMP Cc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1Cl ZINC000195437849 331173424 /nfs/dbraw/zinc/17/34/24/331173424.db2.gz YBVQLISQMCUGEB-UHFFFAOYSA-N 2 1 292.854 3.612 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000195444458 331174766 /nfs/dbraw/zinc/17/47/66/331174766.db2.gz QYFKHEXRYRIUHP-UHFFFAOYSA-N 2 1 291.826 3.723 20 0 CHADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000459380210 331279311 /nfs/dbraw/zinc/27/93/11/331279311.db2.gz SQTRIKJGZDPUTP-IHPCNDPISA-N 2 1 298.474 3.598 20 0 CHADMP C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000459418179 331280472 /nfs/dbraw/zinc/28/04/72/331280472.db2.gz FQONOWJDVXALEU-HNAYVOBHSA-N 2 1 286.463 3.652 20 0 CHADMP COc1ccc(C)cc1[C@@H](C)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000459655930 331292405 /nfs/dbraw/zinc/29/24/05/331292405.db2.gz JBVYAHVWXCHTHU-CVEARBPZSA-N 2 1 290.451 3.529 20 0 CHADMP COc1ccc(C)cc1[C@@H](C)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000459655930 331292406 /nfs/dbraw/zinc/29/24/06/331292406.db2.gz JBVYAHVWXCHTHU-CVEARBPZSA-N 2 1 290.451 3.529 20 0 CHADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1F ZINC000459724242 331295797 /nfs/dbraw/zinc/29/57/97/331295797.db2.gz AKIMHFIXFLXIJE-WMLDXEAASA-N 2 1 278.415 3.598 20 0 CHADMP CC(C)CCC[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459729687 331296387 /nfs/dbraw/zinc/29/63/87/331296387.db2.gz DIPPLCJSGMEIDL-CVEARBPZSA-N 2 1 254.462 3.523 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cc2ccccc2o1 ZINC000459732681 331296743 /nfs/dbraw/zinc/29/67/43/331296743.db2.gz MNMMNLOFENQHJF-HUUCEWRRSA-N 2 1 286.419 3.815 20 0 CHADMP CCC[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C1CCCC1 ZINC000459771527 331299791 /nfs/dbraw/zinc/29/97/91/331299791.db2.gz NSGFLMNIGAXDAC-OAHLLOKOSA-N 2 1 295.496 3.653 20 0 CHADMP C[C@H](Cc1cccc(Cl)c1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459774536 331300131 /nfs/dbraw/zinc/30/01/31/331300131.db2.gz JBRAXFKHFUSKDF-HUUCEWRRSA-N 2 1 294.870 3.593 20 0 CHADMP Cc1cc2[nH]c(C[NH2+]CC[C@@H]3CCC[N@H+](C)C3)cc2c(C)c1 ZINC000459783370 331300813 /nfs/dbraw/zinc/30/08/13/331300813.db2.gz NASWIBVQRKFYPC-INIZCTEOSA-N 2 1 299.462 3.606 20 0 CHADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000166175665 331306602 /nfs/dbraw/zinc/30/66/02/331306602.db2.gz ZFHAGFSUVFGDSJ-OLZOCXBDSA-N 2 1 280.481 3.605 20 0 CHADMP C[N@@H+](Cc1ccc(C(C)(C)C)s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000166166696 331306706 /nfs/dbraw/zinc/30/67/06/331306706.db2.gz KXOMUHYMVWHWHS-PBWFPOADSA-N 2 1 292.492 3.760 20 0 CHADMP C[C@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC12CCCCC2 ZINC000462451662 331322193 /nfs/dbraw/zinc/32/21/93/331322193.db2.gz JYGJGPULROKROD-DLBZAZTESA-N 2 1 278.484 3.763 20 0 CHADMP CC(C)[C@@H](C[NH2+][C@@H]1CC[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000462679883 331325168 /nfs/dbraw/zinc/32/51/68/331325168.db2.gz IMPPKTPKPXQSHR-BRWVUGGUSA-N 2 1 266.473 3.521 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000463538149 331349262 /nfs/dbraw/zinc/34/92/62/331349262.db2.gz AAWJMBDVOPZSIN-MSOLQXFVSA-N 2 1 288.479 3.889 20 0 CHADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1Cl ZINC000484477999 331898995 /nfs/dbraw/zinc/89/89/95/331898995.db2.gz REAMZKHEXDAMEF-IHRRRGAJSA-N 2 1 280.843 3.863 20 0 CHADMP C[C@H](CC[NH2+]Cc1cc(Cl)cs1)[NH+]1CCCCC1 ZINC000487537222 331972905 /nfs/dbraw/zinc/97/29/05/331972905.db2.gz KSXFLTKMSOYHHV-GFCCVEGCSA-N 2 1 286.872 3.756 20 0 CHADMP C[C@@H]1C[C@@H]1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000488345888 332001292 /nfs/dbraw/zinc/00/12/92/332001292.db2.gz FLCXXOXLKYTLLD-RWQQGDIJSA-N 2 1 286.463 3.627 20 0 CHADMP C[C@@H]1C[C@@H]1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000488345888 332001293 /nfs/dbraw/zinc/00/12/93/332001293.db2.gz FLCXXOXLKYTLLD-RWQQGDIJSA-N 2 1 286.463 3.627 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000488345888 332001294 /nfs/dbraw/zinc/00/12/94/332001294.db2.gz FLCXXOXLKYTLLD-RWQQGDIJSA-N 2 1 286.463 3.627 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000488345888 332001295 /nfs/dbraw/zinc/00/12/95/332001295.db2.gz FLCXXOXLKYTLLD-RWQQGDIJSA-N 2 1 286.463 3.627 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC000488374517 332002568 /nfs/dbraw/zinc/00/25/68/332002568.db2.gz YZFAWFJVHSNYBF-PKOBYXMFSA-N 2 1 286.463 3.787 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000488422097 332006263 /nfs/dbraw/zinc/00/62/63/332006263.db2.gz UOXPXFSOCGUORR-KCITZHQASA-N 2 1 286.463 3.533 20 0 CHADMP c1ccc([C@H]2CCC[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000488425220 332006872 /nfs/dbraw/zinc/00/68/72/332006872.db2.gz TXSMEDUKBCMXJE-HKUYNNGSSA-N 2 1 298.474 3.929 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488433280 332007631 /nfs/dbraw/zinc/00/76/31/332007631.db2.gz HQRDMIPDTBKDQM-OWCLPIDISA-N 2 1 298.540 3.761 20 0 CHADMP C(C[NH+]1C[C@@H]2CCCC[C@@H]2C1)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000489356391 332048629 /nfs/dbraw/zinc/04/86/29/332048629.db2.gz DUUZPDVZKQEWHP-QGFMHUBQSA-N 2 1 290.495 3.621 20 0 CHADMP C[C@@H](C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)c1cccc(Cl)c1 ZINC000490014430 332076818 /nfs/dbraw/zinc/07/68/18/332076818.db2.gz QEXLJZMDDWFVDQ-WMLDXEAASA-N 2 1 292.854 3.519 20 0 CHADMP C[C@@H](C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)c1cccc(Cl)c1 ZINC000490014430 332076819 /nfs/dbraw/zinc/07/68/19/332076819.db2.gz QEXLJZMDDWFVDQ-WMLDXEAASA-N 2 1 292.854 3.519 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000491058311 332143650 /nfs/dbraw/zinc/14/36/50/332143650.db2.gz GFOWUKDEFAFWGV-LJQANCHMSA-N 2 1 286.463 3.775 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000491271774 332178263 /nfs/dbraw/zinc/17/82/63/332178263.db2.gz OXLXPJJTMYZHSH-UHFFFAOYSA-N 2 1 297.446 3.640 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000575632046 335108624 /nfs/dbraw/zinc/10/86/24/335108624.db2.gz JXGUQIGWVWNGGI-JKSUJKDBSA-N 2 1 262.441 3.500 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000575632046 335108626 /nfs/dbraw/zinc/10/86/26/335108626.db2.gz JXGUQIGWVWNGGI-JKSUJKDBSA-N 2 1 262.441 3.500 20 0 CHADMP C[C@H](c1ccccc1Cl)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248181371 334296717 /nfs/dbraw/zinc/29/67/17/334296717.db2.gz WLLVZUHAFHGNJN-JKIFEVAISA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248181371 334296718 /nfs/dbraw/zinc/29/67/18/334296718.db2.gz WLLVZUHAFHGNJN-JKIFEVAISA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248181371 334296720 /nfs/dbraw/zinc/29/67/20/334296720.db2.gz WLLVZUHAFHGNJN-JKIFEVAISA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1ccccc1Cl)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248181371 334296722 /nfs/dbraw/zinc/29/67/22/334296722.db2.gz WLLVZUHAFHGNJN-JKIFEVAISA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1ccccc1Cl)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248181371 334296723 /nfs/dbraw/zinc/29/67/23/334296723.db2.gz WLLVZUHAFHGNJN-JKIFEVAISA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H]([NH2+][C@H]1CCC12CCCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000249119481 334328349 /nfs/dbraw/zinc/32/83/49/334328349.db2.gz SOGJDBMKPTUXFA-JZXOWHBKSA-N 2 1 290.495 3.952 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)oc1C ZINC000502685963 332668792 /nfs/dbraw/zinc/66/87/92/332668792.db2.gz IBEJWPKNZUTBFR-LBPRGKRZSA-N 2 1 278.440 3.856 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccccc2Cl)[C@H](C)C1 ZINC000174773348 333007065 /nfs/dbraw/zinc/00/70/65/333007065.db2.gz HJPLCBBLVXQASX-PBHICJAKSA-N 2 1 294.870 3.545 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccccc2Cl)[C@H](C)C1 ZINC000174773348 333007067 /nfs/dbraw/zinc/00/70/67/333007067.db2.gz HJPLCBBLVXQASX-PBHICJAKSA-N 2 1 294.870 3.545 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccccc2Cl)[C@H](C)C1 ZINC000174773348 333007069 /nfs/dbraw/zinc/00/70/69/333007069.db2.gz HJPLCBBLVXQASX-PBHICJAKSA-N 2 1 294.870 3.545 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309681506 333047226 /nfs/dbraw/zinc/04/72/26/333047226.db2.gz ASKYQNGKGNPEAR-BMFAXAFESA-N 2 1 288.479 3.921 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCC1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309710270 333047537 /nfs/dbraw/zinc/04/75/37/333047537.db2.gz JSMRFEBMYZTONT-CGTJXYLNSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309886831 333050975 /nfs/dbraw/zinc/05/09/75/333050975.db2.gz ZOSLDCWSPVBWHG-FAJAVTLNSA-N 2 1 298.474 3.675 20 0 CHADMP Cc1cc(C)cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000514005229 333059387 /nfs/dbraw/zinc/05/93/87/333059387.db2.gz FEJGOHMVFULXGS-UHFFFAOYSA-N 2 1 274.452 3.608 20 0 CHADMP CCSc1ccccc1[C@@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000517356260 333097908 /nfs/dbraw/zinc/09/79/08/333097908.db2.gz UMQRQUWGQLMVPA-CQSZACIVSA-N 2 1 280.481 3.837 20 0 CHADMP Cc1ccc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1F ZINC000520949635 333108157 /nfs/dbraw/zinc/10/81/57/333108157.db2.gz KDHICYUCIKJIAI-HUUCEWRRSA-N 2 1 292.442 3.592 20 0 CHADMP CCc1oc2ccccc2c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336853003 335121681 /nfs/dbraw/zinc/12/16/81/335121681.db2.gz BYAUMLSXXMVKPM-LSDHHAIUSA-N 2 1 298.430 3.712 20 0 CHADMP CCc1oc2ccccc2c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336853003 335121682 /nfs/dbraw/zinc/12/16/82/335121682.db2.gz BYAUMLSXXMVKPM-LSDHHAIUSA-N 2 1 298.430 3.712 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCC2CC2)C1 ZINC000186425952 333160389 /nfs/dbraw/zinc/16/03/89/333160389.db2.gz LHCAPZSCEDURTJ-RDJZCZTQSA-N 2 1 266.473 3.523 20 0 CHADMP CCS[C@H]1CCCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000190034736 333202443 /nfs/dbraw/zinc/20/24/43/333202443.db2.gz GISHLZNAEOKISY-HOTGVXAUSA-N 2 1 295.496 3.626 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCCNc1cc[nH+]c2ccccc12 ZINC000521935840 333224237 /nfs/dbraw/zinc/22/42/37/333224237.db2.gz HPCGHUFTLBFONJ-INIZCTEOSA-N 2 1 297.446 3.723 20 0 CHADMP CCc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)s1 ZINC000225122011 333231369 /nfs/dbraw/zinc/23/13/69/333231369.db2.gz GVLAUAWCHDDBDY-HOTGVXAUSA-N 2 1 272.417 3.545 20 0 CHADMP Fc1cccc([C@@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)c1 ZINC000195632415 333258085 /nfs/dbraw/zinc/25/80/85/333258085.db2.gz WEHRYDCKGARHEG-SFHVURJKSA-N 2 1 290.426 3.839 20 0 CHADMP Fc1cccc([C@@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)c1 ZINC000195632415 333258087 /nfs/dbraw/zinc/25/80/87/333258087.db2.gz WEHRYDCKGARHEG-SFHVURJKSA-N 2 1 290.426 3.839 20 0 CHADMP c1sc2ccccc2c1C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227199632 333277989 /nfs/dbraw/zinc/27/79/89/333277989.db2.gz QHVFAQADMGWOID-CVEARBPZSA-N 2 1 286.444 3.618 20 0 CHADMP c1sc2ccccc2c1C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227199632 333277990 /nfs/dbraw/zinc/27/79/90/333277990.db2.gz QHVFAQADMGWOID-CVEARBPZSA-N 2 1 286.444 3.618 20 0 CHADMP CCC(C)(C)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000230634303 333319317 /nfs/dbraw/zinc/31/93/17/333319317.db2.gz YIEJBZKVUNYOII-UHFFFAOYSA-N 2 1 274.452 3.677 20 0 CHADMP Cc1cccc(C)c1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000524251956 333357970 /nfs/dbraw/zinc/35/79/70/333357970.db2.gz UJOLUEOASNSXPB-UHFFFAOYSA-N 2 1 286.463 3.754 20 0 CHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC2CCCC2)C1 ZINC000524356422 333360541 /nfs/dbraw/zinc/36/05/41/333360541.db2.gz OBNCLYCAXKJPHS-FUHWJXTLSA-N 2 1 278.484 3.763 20 0 CHADMP c1ccc(C2CCC([NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000236681413 333374644 /nfs/dbraw/zinc/37/46/44/333374644.db2.gz TXHKHMXESMDEAI-TUNPWDSISA-N 2 1 298.474 3.929 20 0 CHADMP c1ccc(C2CCC([NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000236681413 333374645 /nfs/dbraw/zinc/37/46/45/333374645.db2.gz TXHKHMXESMDEAI-TUNPWDSISA-N 2 1 298.474 3.929 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3ccccc3)cc2)C1 ZINC000237185568 333378206 /nfs/dbraw/zinc/37/82/06/333378206.db2.gz XOSSCNLCYVWGMP-GOSISDBHSA-N 2 1 294.442 3.785 20 0 CHADMP C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2)o1)C[NH+]1CCCC1 ZINC000237410291 333379317 /nfs/dbraw/zinc/37/93/17/333379317.db2.gz MGWJPZWRYLVQNZ-INIZCTEOSA-N 2 1 298.430 3.768 20 0 CHADMP C[C@@H](C[NH2+][C@@H](C)c1cc2ccccc2o1)C[NH+]1CCCC1 ZINC000062077142 333541042 /nfs/dbraw/zinc/54/10/42/333541042.db2.gz XJTJXVIIJYCCIE-GJZGRUSLSA-N 2 1 286.419 3.815 20 0 CHADMP C[NH+]1CCC([NH2+][C@@H]2C[C@H]3CCC(C)(C)c4cccc2c43)CC1 ZINC000538457729 333593826 /nfs/dbraw/zinc/59/38/26/333593826.db2.gz DMCDBEMFPYSMOW-RDTXWAMCSA-N 2 1 298.474 3.970 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1cccc(C)c1)C(C)(C)C ZINC000540435808 333730221 /nfs/dbraw/zinc/73/02/21/333730221.db2.gz YOUXNFVLTXKGPR-QGZVFWFLSA-N 2 1 285.435 3.877 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)C1CCCCCC1 ZINC000541566252 333780937 /nfs/dbraw/zinc/78/09/37/333780937.db2.gz QJZSFCRXYZUFCH-LSDHHAIUSA-N 2 1 277.456 3.776 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076004643 334066240 /nfs/dbraw/zinc/06/62/40/334066240.db2.gz OOMOBXQBEPQMLP-CRAIPNDOSA-N 2 1 292.442 3.941 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076004643 334066241 /nfs/dbraw/zinc/06/62/41/334066241.db2.gz OOMOBXQBEPQMLP-CRAIPNDOSA-N 2 1 292.442 3.941 20 0 CHADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C=CCCC1 ZINC000076109773 334072979 /nfs/dbraw/zinc/07/29/79/334072979.db2.gz OCOMCFQUCYFCEC-OALUTQOASA-N 2 1 284.447 3.549 20 0 CHADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C=CCCC1 ZINC000076109773 334072980 /nfs/dbraw/zinc/07/29/80/334072980.db2.gz OCOMCFQUCYFCEC-OALUTQOASA-N 2 1 284.447 3.549 20 0 CHADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C=CCCC1 ZINC000076109773 334072981 /nfs/dbraw/zinc/07/29/81/334072981.db2.gz OCOMCFQUCYFCEC-OALUTQOASA-N 2 1 284.447 3.549 20 0 CHADMP CCC[C@H]1CCCC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000547832342 334124849 /nfs/dbraw/zinc/12/48/49/334124849.db2.gz SSUJPSAWHXWFOZ-JKSUJKDBSA-N 2 1 263.429 3.530 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000245414062 334191191 /nfs/dbraw/zinc/19/11/91/334191191.db2.gz BZNGTGBXMOHXEX-XJKSGUPXSA-N 2 1 280.843 3.502 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000245414062 334191194 /nfs/dbraw/zinc/19/11/94/334191194.db2.gz BZNGTGBXMOHXEX-XJKSGUPXSA-N 2 1 280.843 3.502 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000245414062 334191196 /nfs/dbraw/zinc/19/11/96/334191196.db2.gz BZNGTGBXMOHXEX-XJKSGUPXSA-N 2 1 280.843 3.502 20 0 CHADMP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000246910951 334271793 /nfs/dbraw/zinc/27/17/93/334271793.db2.gz FQRDXQGWUOXBQM-OLMMMNRUSA-N 2 1 286.463 3.531 20 0 CHADMP C[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C1CCCCC1 ZINC000549471889 334194949 /nfs/dbraw/zinc/19/49/49/334194949.db2.gz PJWIWNRNQWTHEO-NJAFHUGGSA-N 2 1 278.484 3.619 20 0 CHADMP C[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)C1CCCCC1 ZINC000549471889 334194950 /nfs/dbraw/zinc/19/49/50/334194950.db2.gz PJWIWNRNQWTHEO-NJAFHUGGSA-N 2 1 278.484 3.619 20 0 CHADMP C[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C1CCCCC1 ZINC000549471889 334194951 /nfs/dbraw/zinc/19/49/51/334194951.db2.gz PJWIWNRNQWTHEO-NJAFHUGGSA-N 2 1 278.484 3.619 20 0 CHADMP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245461195 334195213 /nfs/dbraw/zinc/19/52/13/334195213.db2.gz WGJRVLXGYHRUPJ-CVEARBPZSA-N 2 1 290.426 3.695 20 0 CHADMP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245461195 334195214 /nfs/dbraw/zinc/19/52/14/334195214.db2.gz WGJRVLXGYHRUPJ-CVEARBPZSA-N 2 1 290.426 3.695 20 0 CHADMP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246930212 334272083 /nfs/dbraw/zinc/27/20/83/334272083.db2.gz GZXSBOCOCKJLMQ-QAETUUGQSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246930212 334272085 /nfs/dbraw/zinc/27/20/85/334272085.db2.gz GZXSBOCOCKJLMQ-QAETUUGQSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)c1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000245623470 334207990 /nfs/dbraw/zinc/20/79/90/334207990.db2.gz XMTDWBOBQPCFOY-MDZRGWNJSA-N 2 1 288.479 3.813 20 0 CHADMP CC(C)c1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000245623470 334207991 /nfs/dbraw/zinc/20/79/91/334207991.db2.gz XMTDWBOBQPCFOY-MDZRGWNJSA-N 2 1 288.479 3.813 20 0 CHADMP CC(C)(C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245642445 334209807 /nfs/dbraw/zinc/20/98/07/334209807.db2.gz BBKJIQCBMFIZOY-BCDXTJNWSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000550238885 334216979 /nfs/dbraw/zinc/21/69/79/334216979.db2.gz OEBKMCDJISWXFN-WMLDXEAASA-N 2 1 292.854 3.819 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000550238885 334216982 /nfs/dbraw/zinc/21/69/82/334216982.db2.gz OEBKMCDJISWXFN-WMLDXEAASA-N 2 1 292.854 3.819 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000550238885 334216983 /nfs/dbraw/zinc/21/69/83/334216983.db2.gz OEBKMCDJISWXFN-WMLDXEAASA-N 2 1 292.854 3.819 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000550238885 334216984 /nfs/dbraw/zinc/21/69/84/334216984.db2.gz OEBKMCDJISWXFN-WMLDXEAASA-N 2 1 292.854 3.819 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000550238885 334216985 /nfs/dbraw/zinc/21/69/85/334216985.db2.gz OEBKMCDJISWXFN-WMLDXEAASA-N 2 1 292.854 3.819 20 0 CHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+]([C@@H]2C=CCCC2)C1 ZINC000246294878 334249158 /nfs/dbraw/zinc/24/91/58/334249158.db2.gz DPELGTRYVSRELT-FGTMMUONSA-N 2 1 276.468 3.682 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000246294878 334249159 /nfs/dbraw/zinc/24/91/59/334249159.db2.gz DPELGTRYVSRELT-FGTMMUONSA-N 2 1 276.468 3.682 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000246294878 334249160 /nfs/dbraw/zinc/24/91/60/334249160.db2.gz DPELGTRYVSRELT-FGTMMUONSA-N 2 1 276.468 3.682 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc3ccccc32)[C@@H](C)C1 ZINC000246825794 334270194 /nfs/dbraw/zinc/27/01/94/334270194.db2.gz AFIUOJWIYIHLPQ-KXBFYZLASA-N 2 1 282.431 3.660 20 0 CHADMP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246846439 334270583 /nfs/dbraw/zinc/27/05/83/334270583.db2.gz BWAWULQXDKNTQJ-HRCADAONSA-N 2 1 290.451 3.527 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(Cl)c2)C1 ZINC000246859198 334270585 /nfs/dbraw/zinc/27/05/85/334270585.db2.gz CXKVEIQPSKWGOU-ZIAGYGMSSA-N 2 1 280.843 3.723 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)C2CCCC2)CC[N@@H+]1C ZINC000246845640 334270606 /nfs/dbraw/zinc/27/06/06/334270606.db2.gz BDOYMVXNGPTUNC-ATZDWAIDSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)C2CCCC2)CC[N@H+]1C ZINC000246845640 334270607 /nfs/dbraw/zinc/27/06/07/334270607.db2.gz BDOYMVXNGPTUNC-ATZDWAIDSA-N 2 1 286.463 3.990 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2SC)[C@@H](C)C1 ZINC000246882353 334271191 /nfs/dbraw/zinc/27/11/91/334271191.db2.gz DMQBWLNZMZSTTH-GOEBONIOSA-N 2 1 292.492 3.537 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2SC)[C@@H](C)C1 ZINC000246882353 334271192 /nfs/dbraw/zinc/27/11/92/334271192.db2.gz DMQBWLNZMZSTTH-GOEBONIOSA-N 2 1 292.492 3.537 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](CCc2ccccc2)C(C)C)C1 ZINC000247173807 334276999 /nfs/dbraw/zinc/27/69/99/334276999.db2.gz USUJAXFABLETAM-RBUKOAKNSA-N 2 1 288.479 3.575 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247954149 334292000 /nfs/dbraw/zinc/29/20/00/334292000.db2.gz FIILCIXDPWRYDV-KMFMINBZSA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247954149 334292002 /nfs/dbraw/zinc/29/20/02/334292002.db2.gz FIILCIXDPWRYDV-KMFMINBZSA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247954149 334292004 /nfs/dbraw/zinc/29/20/04/334292004.db2.gz FIILCIXDPWRYDV-KMFMINBZSA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247954149 334292006 /nfs/dbraw/zinc/29/20/06/334292006.db2.gz FIILCIXDPWRYDV-KMFMINBZSA-N 2 1 292.854 3.817 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000552239556 334307161 /nfs/dbraw/zinc/30/71/61/334307161.db2.gz XIWMNJJQNBZMDL-FRYIKTPZSA-N 2 1 298.474 3.569 20 0 CHADMP c1ccc(C[C@@H]2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000249144202 334329135 /nfs/dbraw/zinc/32/91/35/334329135.db2.gz WWCLITQMCIRGLJ-LWYYNNOASA-N 2 1 298.474 3.614 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)c2cccc(F)c2)C1 ZINC000249194657 334329770 /nfs/dbraw/zinc/32/97/70/334329770.db2.gz QBFSEBPVEQRNBC-RHSMWYFYSA-N 2 1 278.415 3.598 20 0 CHADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000552580092 334337416 /nfs/dbraw/zinc/33/74/16/334337416.db2.gz PJGKDHJRSZDOFX-QEORTHHSSA-N 2 1 296.405 3.734 20 0 CHADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000552580092 334337418 /nfs/dbraw/zinc/33/74/18/334337418.db2.gz PJGKDHJRSZDOFX-QEORTHHSSA-N 2 1 296.405 3.734 20 0 CHADMP CCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000251088822 334356317 /nfs/dbraw/zinc/35/63/17/334356317.db2.gz ATNMNTPPCXWJJQ-BZSNNMDCSA-N 2 1 272.436 3.744 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)c(Cl)c1 ZINC000251492754 334362265 /nfs/dbraw/zinc/36/22/65/334362265.db2.gz JBDVGDYIFOLZSY-YUTCNCBUSA-N 2 1 296.817 3.757 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000251779789 334369599 /nfs/dbraw/zinc/36/95/99/334369599.db2.gz SKBOWOHMVWJABF-ZIAGYGMSSA-N 2 1 280.843 3.723 20 0 CHADMP C[C@@H]1CC[C@H](N[C@H]2CC[N@@H+]3CCCC[C@H]23)c2ccccc21 ZINC000251826577 334370547 /nfs/dbraw/zinc/37/05/47/334370547.db2.gz NDIYUFCWIJPDOG-GRGSLBFTSA-N 2 1 284.447 3.841 20 0 CHADMP C[C@@H]1CC[C@H](N[C@H]2CC[N@H+]3CCCC[C@H]23)c2ccccc21 ZINC000251826577 334370548 /nfs/dbraw/zinc/37/05/48/334370548.db2.gz NDIYUFCWIJPDOG-GRGSLBFTSA-N 2 1 284.447 3.841 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c2ccccc21 ZINC000251826577 334370549 /nfs/dbraw/zinc/37/05/49/334370549.db2.gz NDIYUFCWIJPDOG-GRGSLBFTSA-N 2 1 284.447 3.841 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c2ccccc21 ZINC000251826577 334370550 /nfs/dbraw/zinc/37/05/50/334370550.db2.gz NDIYUFCWIJPDOG-GRGSLBFTSA-N 2 1 284.447 3.841 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252697235 334385547 /nfs/dbraw/zinc/38/55/47/334385547.db2.gz GEKLZVNQBKDHPD-KFWWJZLASA-N 2 1 268.404 3.570 20 0 CHADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252767899 334391377 /nfs/dbraw/zinc/39/13/77/334391377.db2.gz JSSYKNNQGDSSRL-LZWOXQAQSA-N 2 1 274.452 3.714 20 0 CHADMP C[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000253181243 334420757 /nfs/dbraw/zinc/42/07/57/334420757.db2.gz FDRXYHMDSMRQCH-SAABIXHNSA-N 2 1 286.463 3.819 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000268814229 334716936 /nfs/dbraw/zinc/71/69/36/334716936.db2.gz NDHIRHKOKPIOFT-ZDUSSCGKSA-N 2 1 283.375 3.597 20 0 CHADMP C[C@@H]([NH2+]CC1(Cc2ccccc2)CCC1)c1c[nH+]ccc1N ZINC000567647142 334745962 /nfs/dbraw/zinc/74/59/62/334745962.db2.gz WGRHATIITYQNTA-OAHLLOKOSA-N 2 1 295.430 3.558 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(C)C)cc1 ZINC000159053019 334819061 /nfs/dbraw/zinc/81/90/61/334819061.db2.gz VUKLQPKWIGSGJM-KBPBESRZSA-N 2 1 271.408 3.876 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@H+]2CCCc2c[nH+]cn2C)cc1C ZINC000577228881 335326826 /nfs/dbraw/zinc/32/68/26/335326826.db2.gz PXMCVLAFJVUZNQ-IBGZPJMESA-N 2 1 297.446 3.807 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@@H+]2CCCc2c[nH+]cn2C)cc1C ZINC000577228881 335326829 /nfs/dbraw/zinc/32/68/29/335326829.db2.gz PXMCVLAFJVUZNQ-IBGZPJMESA-N 2 1 297.446 3.807 20 0 CHADMP CCc1ccc([C@@H]([NH2+][C@H]2CCc3[nH]cnc3C2)C(C)C)cc1 ZINC000577249991 335329780 /nfs/dbraw/zinc/32/97/80/335329780.db2.gz IGBJYJYAFFBUSJ-LPHOPBHVSA-N 2 1 297.446 3.816 20 0 CHADMP CC[C@@H]1CCC[C@@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000577542790 335366762 /nfs/dbraw/zinc/36/67/62/335366762.db2.gz ITCVKVMOEVSNJK-VQVIJEGRSA-N 2 1 278.484 3.760 20 0 CHADMP CC[C@@H]1CCC[C@@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000577542790 335366763 /nfs/dbraw/zinc/36/67/63/335366763.db2.gz ITCVKVMOEVSNJK-VQVIJEGRSA-N 2 1 278.484 3.760 20 0 CHADMP CC[C@@H]1CCC[C@@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000577542790 335366764 /nfs/dbraw/zinc/36/67/64/335366764.db2.gz ITCVKVMOEVSNJK-VQVIJEGRSA-N 2 1 278.484 3.760 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]C(C)(C)c1cccc(F)c1 ZINC000179566000 335501143 /nfs/dbraw/zinc/50/11/43/335501143.db2.gz GBAQOMSLADILRW-UHFFFAOYSA-N 2 1 289.398 3.636 20 0 CHADMP CC(C)CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C(C)(C)C ZINC000581154171 336016425 /nfs/dbraw/zinc/01/64/25/336016425.db2.gz CAWHQAVNMDHJGP-JKSUJKDBSA-N 2 1 268.489 3.769 20 0 CHADMP C[N@H+]1CCC[C@H](CNC(c2ccccc2)c2ccccc2)C1 ZINC000194990594 336042062 /nfs/dbraw/zinc/04/20/62/336042062.db2.gz CSPPTMQURXZOGT-QGZVFWFLSA-N 2 1 294.442 3.707 20 0 CHADMP C[N@@H+]1CCC[C@H](C[NH2+]C(c2ccccc2)c2ccccc2)C1 ZINC000194990594 336042063 /nfs/dbraw/zinc/04/20/63/336042063.db2.gz CSPPTMQURXZOGT-QGZVFWFLSA-N 2 1 294.442 3.707 20 0 CHADMP CC(C)CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccoc1 ZINC000581444830 336078961 /nfs/dbraw/zinc/07/89/61/336078961.db2.gz JRBFAFSUDAEKAX-WBVHZDCISA-N 2 1 278.440 3.688 20 0 CHADMP CC(C)CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccoc1 ZINC000581444830 336078963 /nfs/dbraw/zinc/07/89/63/336078963.db2.gz JRBFAFSUDAEKAX-WBVHZDCISA-N 2 1 278.440 3.688 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+]CCC2CCCCCC2)C1 ZINC000581455286 336080199 /nfs/dbraw/zinc/08/01/99/336080199.db2.gz CDKBDESRNKGWGY-KRWDZBQOSA-N 2 1 266.473 3.668 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCCCCC1 ZINC000382482678 336091337 /nfs/dbraw/zinc/09/13/37/336091337.db2.gz FZWOLUNUIKAMPQ-CQSZACIVSA-N 2 1 264.457 3.562 20 0 CHADMP CC[N@H+](CCCc1c[nH+]cn1C)[C@H](C)c1ccc(F)cc1 ZINC000581674377 336126518 /nfs/dbraw/zinc/12/65/18/336126518.db2.gz CDLAFRILZJWVLL-CQSZACIVSA-N 2 1 289.398 3.575 20 0 CHADMP CC[N@@H+](CCCc1c[nH+]cn1C)[C@H](C)c1ccc(F)cc1 ZINC000581674377 336126520 /nfs/dbraw/zinc/12/65/20/336126520.db2.gz CDLAFRILZJWVLL-CQSZACIVSA-N 2 1 289.398 3.575 20 0 CHADMP C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)cs2)CC[C@H]1[NH3+] ZINC000347041436 533948363 /nfs/dbraw/zinc/94/83/63/533948363.db2.gz KVZDQQHXPYQCHB-SUMWQHHRSA-N 2 1 286.444 3.584 20 0 CHADMP C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000354827965 534060302 /nfs/dbraw/zinc/06/03/02/534060302.db2.gz HCZJHYPSYYXKDE-JKIFEVAISA-N 2 1 290.426 3.618 20 0 CHADMP C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000354827965 534060308 /nfs/dbraw/zinc/06/03/08/534060308.db2.gz HCZJHYPSYYXKDE-JKIFEVAISA-N 2 1 290.426 3.618 20 0 CHADMP C[C@@H]1Cc2cc(F)ccc2[C@H](C)[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000354827965 534060312 /nfs/dbraw/zinc/06/03/12/534060312.db2.gz HCZJHYPSYYXKDE-JKIFEVAISA-N 2 1 290.426 3.618 20 0 CHADMP C[C@@H]1Cc2cc(F)ccc2[C@H](C)[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000354827965 534060320 /nfs/dbraw/zinc/06/03/20/534060320.db2.gz HCZJHYPSYYXKDE-JKIFEVAISA-N 2 1 290.426 3.618 20 0 CHADMP CSc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)s1 ZINC000336605244 534204162 /nfs/dbraw/zinc/20/41/62/534204162.db2.gz TWKHJFFZDPZIID-UHFFFAOYSA-N 2 1 296.505 3.530 20 0 CHADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cc3ccccc3o2)CC1 ZINC000020189348 519673217 /nfs/dbraw/zinc/67/32/17/519673217.db2.gz YTORANFJIBOPPG-AWEZNQCLSA-N 2 1 286.419 3.956 20 0 CHADMP CCC[NH+]1CCC([N@H+](C)Cc2cnc3ccccc3c2)CC1 ZINC000337133032 519843799 /nfs/dbraw/zinc/84/37/99/519843799.db2.gz ASTZYKVDOJDYPS-UHFFFAOYSA-N 2 1 297.446 3.541 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)Cc2cnc3ccccc3c2)CC1 ZINC000337133032 519843800 /nfs/dbraw/zinc/84/38/00/519843800.db2.gz ASTZYKVDOJDYPS-UHFFFAOYSA-N 2 1 297.446 3.541 20 0 CHADMP CC/C=C/CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278913597 520196763 /nfs/dbraw/zinc/19/67/63/520196763.db2.gz QSBBQFNJAIFHIK-ONEGZZNKSA-N 2 1 287.451 3.755 20 0 CHADMP CC[N@H+](CCCn1cc[nH+]c1C)[C@H](C)Cc1ccsc1 ZINC000275148999 521042869 /nfs/dbraw/zinc/04/28/69/521042869.db2.gz PBUYWDWMQQIBBK-CQSZACIVSA-N 2 1 291.464 3.596 20 0 CHADMP CC[N@@H+](CCCn1cc[nH+]c1C)[C@H](C)Cc1ccsc1 ZINC000275148999 521042875 /nfs/dbraw/zinc/04/28/75/521042875.db2.gz PBUYWDWMQQIBBK-CQSZACIVSA-N 2 1 291.464 3.596 20 0 CHADMP CCC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1ccsc1 ZINC000276146914 521154146 /nfs/dbraw/zinc/15/41/46/521154146.db2.gz DGSGEHJSTUXULO-HNNXBMFYSA-N 2 1 266.454 3.663 20 0 CHADMP CC[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000052206361 522599169 /nfs/dbraw/zinc/59/91/69/522599169.db2.gz SAKWQDYGKWTFJR-SJORKVTESA-N 2 1 260.425 3.602 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000129625474 522715216 /nfs/dbraw/zinc/71/52/16/522715216.db2.gz OKKDMGPFEUHTQZ-WQVCFCJDSA-N 2 1 280.843 3.863 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000129625474 522715230 /nfs/dbraw/zinc/71/52/30/522715230.db2.gz OKKDMGPFEUHTQZ-WQVCFCJDSA-N 2 1 280.843 3.863 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000129625685 522927135 /nfs/dbraw/zinc/92/71/35/522927135.db2.gz OKKDMGPFEUHTQZ-DAXOMENPSA-N 2 1 280.843 3.863 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000129625685 522927147 /nfs/dbraw/zinc/92/71/47/522927147.db2.gz OKKDMGPFEUHTQZ-DAXOMENPSA-N 2 1 280.843 3.863 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000072860642 522933572 /nfs/dbraw/zinc/93/35/72/522933572.db2.gz WGBYKPMHSAPOTN-RHSMWYFYSA-N 2 1 278.415 3.550 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000072860642 522933583 /nfs/dbraw/zinc/93/35/83/522933583.db2.gz WGBYKPMHSAPOTN-RHSMWYFYSA-N 2 1 278.415 3.550 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000072860642 522933586 /nfs/dbraw/zinc/93/35/86/522933586.db2.gz WGBYKPMHSAPOTN-RHSMWYFYSA-N 2 1 278.415 3.550 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000072860642 522933597 /nfs/dbraw/zinc/93/35/97/522933597.db2.gz WGBYKPMHSAPOTN-RHSMWYFYSA-N 2 1 278.415 3.550 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339425634 522945983 /nfs/dbraw/zinc/94/59/83/522945983.db2.gz GCQDWSWJBUWGNT-MSOLQXFVSA-N 2 1 272.436 3.555 20 0 CHADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339425634 522945996 /nfs/dbraw/zinc/94/59/96/522945996.db2.gz GCQDWSWJBUWGNT-MSOLQXFVSA-N 2 1 272.436 3.555 20 0 CHADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339425634 522946004 /nfs/dbraw/zinc/94/60/04/522946004.db2.gz GCQDWSWJBUWGNT-MSOLQXFVSA-N 2 1 272.436 3.555 20 0 CHADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339425634 522946010 /nfs/dbraw/zinc/94/60/10/522946010.db2.gz GCQDWSWJBUWGNT-MSOLQXFVSA-N 2 1 272.436 3.555 20 0 CHADMP C[N@H+](Cc1cc(Cl)cc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746498 523172490 /nfs/dbraw/zinc/17/24/90/523172490.db2.gz ZMCIHMLMIGINOI-YIONKMFJSA-N 2 1 299.245 3.708 20 0 CHADMP C[N@@H+](Cc1cc(Cl)cc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746498 523172502 /nfs/dbraw/zinc/17/25/02/523172502.db2.gz ZMCIHMLMIGINOI-YIONKMFJSA-N 2 1 299.245 3.708 20 0 CHADMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CC[C@](C)(c4ccccc4)C3)C2)C1 ZINC000292810258 523995443 /nfs/dbraw/zinc/99/54/43/523995443.db2.gz OQBHQDWFKPPIHP-AABGKKOBSA-N 2 1 298.474 3.524 20 0 CHADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CC[C@](C)(c4ccccc4)C3)C2)C1 ZINC000292810258 523995444 /nfs/dbraw/zinc/99/54/44/523995444.db2.gz OQBHQDWFKPPIHP-AABGKKOBSA-N 2 1 298.474 3.524 20 0 CHADMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CC[C@](C)(c4ccccc4)C3)C2)C1 ZINC000292810258 523995445 /nfs/dbraw/zinc/99/54/45/523995445.db2.gz OQBHQDWFKPPIHP-AABGKKOBSA-N 2 1 298.474 3.524 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(Cl)o2)C1 ZINC000340426852 524223619 /nfs/dbraw/zinc/22/36/19/524223619.db2.gz JUWFNUHRYLEOOD-CYBMUJFWSA-N 2 1 284.831 3.535 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccsc1 ZINC000050344073 525293438 /nfs/dbraw/zinc/29/34/38/525293438.db2.gz CKSLWWNVDDHWEH-LBPRGKRZSA-N 2 1 266.454 3.662 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)c(Cl)c1 ZINC000037648955 525390453 /nfs/dbraw/zinc/39/04/53/525390453.db2.gz SMASBJYSNAIHSV-RYUDHWBXSA-N 2 1 296.817 3.614 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC=CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274898605 525548209 /nfs/dbraw/zinc/54/82/09/525548209.db2.gz KSSIPXXYBUJCTN-QXAKKESOSA-N 2 1 284.447 3.595 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2ccccc2o1 ZINC000130242003 525684409 /nfs/dbraw/zinc/68/44/09/525684409.db2.gz DILJQEMXINZUNJ-VNQPRFMTSA-N 2 1 284.403 3.710 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc2ccccc2o1 ZINC000130242003 525684413 /nfs/dbraw/zinc/68/44/13/525684413.db2.gz DILJQEMXINZUNJ-VNQPRFMTSA-N 2 1 284.403 3.710 20 0 CHADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000248994695 525694853 /nfs/dbraw/zinc/69/48/53/525694853.db2.gz ONOATHOTTLMEGW-DQEVTTJGSA-N 2 1 284.447 3.570 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000157395125 525948628 /nfs/dbraw/zinc/94/86/28/525948628.db2.gz CPDIPBBWQSHQKA-KKXDTOCCSA-N 2 1 266.388 3.790 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000226436805 526044581 /nfs/dbraw/zinc/04/45/81/526044581.db2.gz LFUVZJGNKGKHRC-UONOGXRCSA-N 2 1 292.854 3.865 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277071188 526051099 /nfs/dbraw/zinc/05/10/99/526051099.db2.gz DSZVDEZTBQISHK-CZUORRHYSA-N 2 1 280.843 3.817 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277071188 526051109 /nfs/dbraw/zinc/05/11/09/526051109.db2.gz DSZVDEZTBQISHK-CZUORRHYSA-N 2 1 280.843 3.817 20 0 CHADMP CC(C)(C)[NH+]1CCC(Nc2cc(C3CC3)cc[nH+]2)CC1 ZINC000353565735 526287173 /nfs/dbraw/zinc/28/71/73/526287173.db2.gz XILGLAUUPSVICD-UHFFFAOYSA-N 2 1 273.424 3.634 20 0 CHADMP Cc1nc(C)c([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)s1 ZINC000111359533 526744481 /nfs/dbraw/zinc/74/44/81/526744481.db2.gz BSAGABDRCBUIHJ-QWHCGFSZSA-N 2 1 295.496 3.675 20 0 CHADMP Cc1nc(C)c([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)s1 ZINC000111359533 526744490 /nfs/dbraw/zinc/74/44/90/526744490.db2.gz BSAGABDRCBUIHJ-QWHCGFSZSA-N 2 1 295.496 3.675 20 0 CHADMP Cc1nc(C)c([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)s1 ZINC000111359534 526752911 /nfs/dbraw/zinc/75/29/11/526752911.db2.gz BSAGABDRCBUIHJ-STQMWFEESA-N 2 1 295.496 3.675 20 0 CHADMP Cc1nc(C)c([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)s1 ZINC000111359534 526752916 /nfs/dbraw/zinc/75/29/16/526752916.db2.gz BSAGABDRCBUIHJ-STQMWFEESA-N 2 1 295.496 3.675 20 0 CHADMP [NH3+][C@@H]1CCC[C@H](CNc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000227668235 527358297 /nfs/dbraw/zinc/35/82/97/527358297.db2.gz QTLKOHPCRHLEHY-WCQYABFASA-N 2 1 289.810 3.818 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000127284166 527414091 /nfs/dbraw/zinc/41/40/91/527414091.db2.gz SHKUVEOCHUUIMZ-KRWDZBQOSA-N 2 1 287.382 3.558 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000127284166 527414095 /nfs/dbraw/zinc/41/40/95/527414095.db2.gz SHKUVEOCHUUIMZ-KRWDZBQOSA-N 2 1 287.382 3.558 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1csc(Cl)c1 ZINC000276405166 527422780 /nfs/dbraw/zinc/42/27/80/527422780.db2.gz UCUQALOGSLORKL-SNVBAGLBSA-N 2 1 283.828 3.647 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000275468885 527423828 /nfs/dbraw/zinc/42/38/28/527423828.db2.gz INFSHEKVZIIBJZ-MSOLQXFVSA-N 2 1 283.419 3.508 20 0 CHADMP C(CC[NH+]1CCCC2(CC2)C1)CC[N@H+]1CCCC2(CC2)C1 ZINC000352267464 527478167 /nfs/dbraw/zinc/47/81/67/527478167.db2.gz UGCWHJAPIZZFCK-UHFFFAOYSA-N 2 1 290.495 3.909 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3ccccc3o2)C[C@@H]1C ZINC000353748689 527757183 /nfs/dbraw/zinc/75/71/83/527757183.db2.gz CPLSGDGDVGTBLN-GOEBONIOSA-N 2 1 286.419 3.737 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3ccccc3o2)C[C@@H]1C ZINC000353748689 527757189 /nfs/dbraw/zinc/75/71/89/527757189.db2.gz CPLSGDGDVGTBLN-GOEBONIOSA-N 2 1 286.419 3.737 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3ccccc3o2)C[C@@H]1C ZINC000353748689 527757193 /nfs/dbraw/zinc/75/71/93/527757193.db2.gz CPLSGDGDVGTBLN-GOEBONIOSA-N 2 1 286.419 3.737 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3ccccc3o2)C[C@@H]1C ZINC000353748689 527757197 /nfs/dbraw/zinc/75/71/97/527757197.db2.gz CPLSGDGDVGTBLN-GOEBONIOSA-N 2 1 286.419 3.737 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](CCC(C)C)c2ccoc2)C1 ZINC000353437155 527815174 /nfs/dbraw/zinc/81/51/74/527815174.db2.gz DGNSHRISKWBOKU-WBVHZDCISA-N 2 1 278.440 3.688 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3C)C2)[C@H](C)C1 ZINC000366976254 527889603 /nfs/dbraw/zinc/88/96/03/527889603.db2.gz YDRRZKXYZJMRTR-MTNOOBJLSA-N 2 1 286.463 3.561 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)c1ccccc1 ZINC000191492227 528869051 /nfs/dbraw/zinc/86/90/51/528869051.db2.gz DACBQXOPRXUNKO-MRXNPFEDSA-N 2 1 285.435 3.919 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)c1ccccc1 ZINC000191492227 528869054 /nfs/dbraw/zinc/86/90/54/528869054.db2.gz DACBQXOPRXUNKO-MRXNPFEDSA-N 2 1 285.435 3.919 20 0 CHADMP CCCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192933140 528893490 /nfs/dbraw/zinc/89/34/90/528893490.db2.gz IKYYUGWXPGUPSY-FUHWJXTLSA-N 2 1 274.452 3.677 20 0 CHADMP CC[NH+](CC)C1CCN(c2[nH+]ccc3c(C)cccc32)CC1 ZINC001118121020 722003223 /nfs/dbraw/zinc/00/32/23/722003223.db2.gz MJJVTQDBEJHYFM-UHFFFAOYSA-N 2 1 297.446 3.854 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000129917165 1125477963 /nfs/dbraw/zinc/47/79/63/1125477963.db2.gz XJFIBSPZYLMAFN-INIZCTEOSA-N 2 1 298.430 3.659 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+]C2CCCC2)C3)cc1 ZINC000111391533 1125481856 /nfs/dbraw/zinc/48/18/56/1125481856.db2.gz LFLGSPJCGZFODW-YQQQUEKLSA-N 2 1 284.447 3.714 20 0 CHADMP CC[C@@H]1CCCC[C@H]1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000401383563 1118902451 /nfs/dbraw/zinc/90/24/51/1118902451.db2.gz IDUPPFQJBMRZAH-ZACQAIPSSA-N 2 1 266.473 3.523 20 0 CHADMP CCOC1CCC([NH2+]C[C@@H](CC(C)C)[NH+](CC)CC)CC1 ZINC000657835539 1119487056 /nfs/dbraw/zinc/48/70/56/1119487056.db2.gz XUZLRROHFRRZDJ-LXPRWKDFSA-N 2 1 298.515 3.680 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000414201053 1119937298 /nfs/dbraw/zinc/93/72/98/1119937298.db2.gz YAPHEZWBHZXFPJ-ZIAGYGMSSA-N 2 1 280.481 3.693 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CCC)Cc1ccccc1 ZINC000414814214 1120127132 /nfs/dbraw/zinc/12/71/32/1120127132.db2.gz NLVJPAOYYQPGMA-DLBZAZTESA-N 2 1 262.441 3.505 20 0 CHADMP CC[C@@H](CC(F)F)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000659876068 1120240460 /nfs/dbraw/zinc/24/04/60/1120240460.db2.gz ALJLWQCAKMHBGD-AWEZNQCLSA-N 2 1 290.442 3.720 20 0 CHADMP CC[C@@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000500129634 1120516595 /nfs/dbraw/zinc/51/65/95/1120516595.db2.gz OOQWAJVXRSGSEM-CVEARBPZSA-N 2 1 266.473 3.761 20 0 CHADMP CCC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663465526 1120980551 /nfs/dbraw/zinc/98/05/51/1120980551.db2.gz KJHNKASHMWVBFK-GDBMZVCRSA-N 2 1 266.473 3.523 20 0 CHADMP CCCC[C@H](CC)CC[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000437792321 1121295531 /nfs/dbraw/zinc/29/55/31/1121295531.db2.gz LBLZLOWPQGPTKU-YESZJQIVSA-N 2 1 266.473 3.619 20 0 CHADMP CCCC[C@H](CC)CC[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000437792321 1121295538 /nfs/dbraw/zinc/29/55/38/1121295538.db2.gz LBLZLOWPQGPTKU-YESZJQIVSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@H](F)CC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000509370837 1121556956 /nfs/dbraw/zinc/55/69/56/1121556956.db2.gz IAPTXJJDVVOKIX-HOTGVXAUSA-N 2 1 284.463 3.711 20 0 CHADMP CC1=CC[C@H](CC[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)C1(C)C ZINC001205603044 1122650856 /nfs/dbraw/zinc/65/08/56/1122650856.db2.gz NIMLWJBEWGAUKD-HYVNUMGLSA-N 2 1 278.484 3.676 20 0 CHADMP CC(C)=CCC[C@H](C)CC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001201970925 1123165154 /nfs/dbraw/zinc/16/51/54/1123165154.db2.gz BEBIFVVTIPJKFY-KSZLIROESA-N 2 1 278.484 3.643 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000443415776 1123394443 /nfs/dbraw/zinc/39/44/43/1123394443.db2.gz LYJJIBMZIOGICH-FUHWJXTLSA-N 2 1 278.484 3.785 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000052206064 1123478789 /nfs/dbraw/zinc/47/87/89/1123478789.db2.gz DKPIMGYYESEQSJ-WBVHZDCISA-N 2 1 260.425 3.520 20 0 CHADMP CSCC1CCC([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000449131675 1124654664 /nfs/dbraw/zinc/65/46/64/1124654664.db2.gz OSRGFQTVSYQQNJ-CGZBRXJRSA-N 2 1 298.540 3.618 20 0 CHADMP Cc1ccc([C@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)s1 ZINC000124020468 1125434440 /nfs/dbraw/zinc/43/44/40/1125434440.db2.gz CKIIULIKIXGELX-LSDHHAIUSA-N 2 1 278.465 3.678 20 0 CHADMP CC(C)[N@@H+](Cc1cc(F)cc(Cl)c1)C1CCN(C)CC1 ZINC001140540700 1131785255 /nfs/dbraw/zinc/78/52/55/1131785255.db2.gz IIYXHCSMPMWKPY-UHFFFAOYSA-N 2 1 298.833 3.784 20 0 CHADMP CCC(CC)[N@@H+](CC)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246842226 1131787962 /nfs/dbraw/zinc/78/79/62/1131787962.db2.gz XNHXAUPHAMQMHX-UHFFFAOYSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@H](CSc1ccc(Cl)cc1)[NH2+]C1CC[NH+](C)CC1 ZINC001172870939 1132350490 /nfs/dbraw/zinc/35/04/90/1132350490.db2.gz NBPNAOKYGRHJBQ-GFCCVEGCSA-N 2 1 298.883 3.504 20 0 CHADMP CCCC[C@H](CC(C)C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001173251565 1132421478 /nfs/dbraw/zinc/42/14/78/1132421478.db2.gz BRBJFXDLLKARCX-MRXNPFEDSA-N 2 1 266.473 3.808 20 0 CHADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)CCCCCCC[NH3+])C1 ZINC000842472411 1132432631 /nfs/dbraw/zinc/43/26/31/1132432631.db2.gz ABKDXRQBYOXSTP-HUUCEWRRSA-N 2 1 272.502 3.502 20 0 CHADMP Cc1cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)sc1C ZINC001206599107 1133725851 /nfs/dbraw/zinc/72/58/51/1133725851.db2.gz NVPGEUSODPKYSQ-OAHLLOKOSA-N 2 1 280.481 3.717 20 0 CHADMP C[N@H+]1CCC[C@H](CN2CCC[C@@H]2c2ccc(Cl)s2)C1 ZINC001208613264 1133919052 /nfs/dbraw/zinc/91/90/52/1133919052.db2.gz SWSUWLWZYVOLOC-QWHCGFSZSA-N 2 1 298.883 3.880 20 0 CHADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2c2ccc(Cl)s2)C1 ZINC001208613264 1133919069 /nfs/dbraw/zinc/91/90/69/1133919069.db2.gz SWSUWLWZYVOLOC-QWHCGFSZSA-N 2 1 298.883 3.880 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2c2ccc(Cl)s2)C1 ZINC001208613264 1133919074 /nfs/dbraw/zinc/91/90/74/1133919074.db2.gz SWSUWLWZYVOLOC-QWHCGFSZSA-N 2 1 298.883 3.880 20 0 CHADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2ccc(Cl)s2)C1 ZINC001208613264 1133919079 /nfs/dbraw/zinc/91/90/79/1133919079.db2.gz SWSUWLWZYVOLOC-QWHCGFSZSA-N 2 1 298.883 3.880 20 0 CHADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@H]2c2ccc(Cl)s2)C1 ZINC001208613264 1133919084 /nfs/dbraw/zinc/91/90/84/1133919084.db2.gz SWSUWLWZYVOLOC-QWHCGFSZSA-N 2 1 298.883 3.880 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCC2)CC[N@@H+]1C ZINC000119305524 1125532030 /nfs/dbraw/zinc/53/20/30/1125532030.db2.gz VJGSYXYIDXRCRA-FSPWUOQZSA-N 2 1 290.426 3.739 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCC2)CC[N@H+]1C ZINC000119305524 1125532035 /nfs/dbraw/zinc/53/20/35/1125532035.db2.gz VJGSYXYIDXRCRA-FSPWUOQZSA-N 2 1 290.426 3.739 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C2CCCC2)C3)cc1 ZINC000245697535 1125589436 /nfs/dbraw/zinc/58/94/36/1125589436.db2.gz LFLGSPJCGZFODW-LDLYASANSA-N 2 1 284.447 3.714 20 0 CHADMP C[C@@H](CC1CC1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245750789 1125593507 /nfs/dbraw/zinc/59/35/07/1125593507.db2.gz UALZSRJMWVHWLN-QLIIJSOBSA-N 2 1 298.474 3.960 20 0 CHADMP C[C@@H]([NH2+]CCC1(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348359642 1125642105 /nfs/dbraw/zinc/64/21/05/1125642105.db2.gz TYEIRZXPYSIPCU-SJLPKXTDSA-N 2 1 286.463 3.677 20 0 CHADMP CCc1ccc(C)[nH+]c1Nc1cccc(OCC[NH+](C)C)c1 ZINC001212802530 1125640884 /nfs/dbraw/zinc/64/08/84/1125640884.db2.gz ABYDOPQAIACNET-UHFFFAOYSA-N 2 1 299.418 3.636 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)sc2C)[C@@H](C)C1 ZINC000247264367 1125654395 /nfs/dbraw/zinc/65/43/95/1125654395.db2.gz VQBFBERTHGVGFJ-BLLLJJGKSA-N 2 1 280.481 3.527 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)sc2C)[C@@H](C)C1 ZINC000247264367 1125654396 /nfs/dbraw/zinc/65/43/96/1125654396.db2.gz VQBFBERTHGVGFJ-BLLLJJGKSA-N 2 1 280.481 3.527 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)sc2C)[C@@H](C)C1 ZINC000247264367 1125654399 /nfs/dbraw/zinc/65/43/99/1125654399.db2.gz VQBFBERTHGVGFJ-BLLLJJGKSA-N 2 1 280.481 3.527 20 0 CHADMP FC(F)c1cccc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000886874611 1125723336 /nfs/dbraw/zinc/72/33/36/1125723336.db2.gz RPGBQSVKRMQSPT-KRWDZBQOSA-N 2 1 294.389 3.590 20 0 CHADMP FC(F)c1cccc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000886874611 1125723341 /nfs/dbraw/zinc/72/33/41/1125723341.db2.gz RPGBQSVKRMQSPT-KRWDZBQOSA-N 2 1 294.389 3.590 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000309737737 1125743540 /nfs/dbraw/zinc/74/35/40/1125743540.db2.gz RBCJNKZPWHHSBH-IYWMVGAKSA-N 2 1 298.474 3.677 20 0 CHADMP CCCC[C@H](CC)CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430125686 1125760624 /nfs/dbraw/zinc/76/06/24/1125760624.db2.gz CNDJOXDXKOXFQU-DLBZAZTESA-N 2 1 266.473 3.621 20 0 CHADMP CCCC[C@H](CC)CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000430125686 1125760629 /nfs/dbraw/zinc/76/06/29/1125760629.db2.gz CNDJOXDXKOXFQU-DLBZAZTESA-N 2 1 266.473 3.621 20 0 CHADMP CCCC[C@H](CC)CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000430125686 1125760635 /nfs/dbraw/zinc/76/06/35/1125760635.db2.gz CNDJOXDXKOXFQU-DLBZAZTESA-N 2 1 266.473 3.621 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)Cc2cc3ccccc3s2)CC[N@@H+]1C ZINC000093643978 1125771163 /nfs/dbraw/zinc/77/11/63/1125771163.db2.gz KDQBBFPOBNITPK-DZGCQCFKSA-N 2 1 288.460 3.816 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)Cc2cc3ccccc3s2)CC[N@H+]1C ZINC000093643978 1125771174 /nfs/dbraw/zinc/77/11/74/1125771174.db2.gz KDQBBFPOBNITPK-DZGCQCFKSA-N 2 1 288.460 3.816 20 0 CHADMP C[C@H]1C[C@H]([N@H+](C)Cc2cc3ccccc3s2)CC[NH+]1C ZINC000093643978 1125771180 /nfs/dbraw/zinc/77/11/80/1125771180.db2.gz KDQBBFPOBNITPK-DZGCQCFKSA-N 2 1 288.460 3.816 20 0 CHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cc3ccccc3s2)CC[NH+]1C ZINC000093643978 1125771190 /nfs/dbraw/zinc/77/11/90/1125771190.db2.gz KDQBBFPOBNITPK-DZGCQCFKSA-N 2 1 288.460 3.816 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)C1CCC(F)(F)CC1 ZINC000653868853 1129798606 /nfs/dbraw/zinc/79/86/06/1129798606.db2.gz KZOILJZDGZWCRT-DZGCQCFKSA-N 2 1 288.426 3.664 20 0 CHADMP CC[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccncc1 ZINC000163784088 1129203804 /nfs/dbraw/zinc/20/38/04/1129203804.db2.gz DMBKQDWTYKWLFQ-GOSISDBHSA-N 2 1 287.451 3.529 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000338012957 1126710393 /nfs/dbraw/zinc/71/03/93/1126710393.db2.gz CCUSXLPAZWQZSL-KDOFPFPSSA-N 2 1 283.419 3.810 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1cccc(C)c1 ZINC000136293324 1126725451 /nfs/dbraw/zinc/72/54/51/1126725451.db2.gz DVCTUCOXUFPQAD-OAHLLOKOSA-N 2 1 271.408 3.583 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1cccc(C)c1 ZINC000136293324 1126725453 /nfs/dbraw/zinc/72/54/53/1126725453.db2.gz DVCTUCOXUFPQAD-OAHLLOKOSA-N 2 1 271.408 3.583 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](CC)[C@@H](C)Cc1ccsc1 ZINC000338306982 1126732784 /nfs/dbraw/zinc/73/27/84/1126732784.db2.gz IHYGVNKUUXHHBJ-HNNXBMFYSA-N 2 1 282.497 3.733 20 0 CHADMP Cc1cc2[nH]c(CN(C)C[C@H]3CCC[N@@H+](C)C3)cc2c(C)c1 ZINC000481905868 1126733649 /nfs/dbraw/zinc/73/36/49/1126733649.db2.gz BFIQJZRYJFCSOT-INIZCTEOSA-N 2 1 299.462 3.558 20 0 CHADMP Cc1cc2[nH]c(C[N@H+](C)C[C@H]3CCC[NH+](C)C3)cc2c(C)c1 ZINC000481905868 1126733652 /nfs/dbraw/zinc/73/36/52/1126733652.db2.gz BFIQJZRYJFCSOT-INIZCTEOSA-N 2 1 299.462 3.558 20 0 CHADMP Cc1cc2[nH]c(C[N@@H+](C)C[C@H]3CCC[NH+](C)C3)cc2c(C)c1 ZINC000481905868 1126733655 /nfs/dbraw/zinc/73/36/55/1126733655.db2.gz BFIQJZRYJFCSOT-INIZCTEOSA-N 2 1 299.462 3.558 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)s1 ZINC000483127234 1126769330 /nfs/dbraw/zinc/76/93/30/1126769330.db2.gz MLVNSZDCZQDAIG-TUAOUCFPSA-N 2 1 286.872 3.925 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)s1 ZINC000483127234 1126769334 /nfs/dbraw/zinc/76/93/34/1126769334.db2.gz MLVNSZDCZQDAIG-TUAOUCFPSA-N 2 1 286.872 3.925 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC000483210028 1126773290 /nfs/dbraw/zinc/77/32/90/1126773290.db2.gz CNZOLUJHITXPNH-QGZVFWFLSA-N 2 1 266.473 3.621 20 0 CHADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000483222074 1126773365 /nfs/dbraw/zinc/77/33/65/1126773365.db2.gz SRAAAHIHCBFWPP-FUHWJXTLSA-N 2 1 286.463 3.720 20 0 CHADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000483222074 1126773369 /nfs/dbraw/zinc/77/33/69/1126773369.db2.gz SRAAAHIHCBFWPP-FUHWJXTLSA-N 2 1 286.463 3.720 20 0 CHADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000483222074 1126773371 /nfs/dbraw/zinc/77/33/71/1126773371.db2.gz SRAAAHIHCBFWPP-FUHWJXTLSA-N 2 1 286.463 3.720 20 0 CHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC000483220812 1126774407 /nfs/dbraw/zinc/77/44/07/1126774407.db2.gz POMKVFMTTZKJDM-SFHVURJKSA-N 2 1 278.484 3.621 20 0 CHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC000483220812 1126774408 /nfs/dbraw/zinc/77/44/08/1126774408.db2.gz POMKVFMTTZKJDM-SFHVURJKSA-N 2 1 278.484 3.621 20 0 CHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](C(C)(C)C)C1 ZINC000483256944 1126776339 /nfs/dbraw/zinc/77/63/39/1126776339.db2.gz GGHYSGSENWQTBH-CVEARBPZSA-N 2 1 266.473 3.619 20 0 CHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000483256944 1126776341 /nfs/dbraw/zinc/77/63/41/1126776341.db2.gz GGHYSGSENWQTBH-CVEARBPZSA-N 2 1 266.473 3.619 20 0 CHADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1c1ccccc1OC ZINC000191782061 1126777422 /nfs/dbraw/zinc/77/74/22/1126777422.db2.gz LTHYSZPBFGNOKR-KRWDZBQOSA-N 2 1 290.451 3.564 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1c1ccccc1OC ZINC000191782061 1126777425 /nfs/dbraw/zinc/77/74/25/1126777425.db2.gz LTHYSZPBFGNOKR-KRWDZBQOSA-N 2 1 290.451 3.564 20 0 CHADMP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000251893493 1126799243 /nfs/dbraw/zinc/79/92/43/1126799243.db2.gz WEYJIGBZYALIJO-LTIDMASMSA-N 2 1 264.457 3.562 20 0 CHADMP CC[C@@H]1C[N@H+]([C@H](C)c2ccc(C(C)C)cc2)CC[C@@H]1[NH3+] ZINC000251899227 1126800326 /nfs/dbraw/zinc/80/03/26/1126800326.db2.gz WQNYHCPRIPLOBK-RKVPGOIHSA-N 2 1 274.452 3.930 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C2CC2)cc1 ZINC000178366218 1126812177 /nfs/dbraw/zinc/81/21/77/1126812177.db2.gz WZULGMGWBKQQFZ-OLZOCXBDSA-N 2 1 269.392 3.630 20 0 CHADMP CC(C)P(CC[NH2+]C1CC[NH+](CC2CC2)CC1)C(C)C ZINC001168369075 1126827429 /nfs/dbraw/zinc/82/74/29/1126827429.db2.gz VTLXKHBWWSDPPE-UHFFFAOYSA-N 2 1 298.455 3.749 20 0 CHADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc(C(F)F)c(F)c1 ZINC000904301678 1126844418 /nfs/dbraw/zinc/84/44/18/1126844418.db2.gz OLCIORGCOOCJDW-CQSZACIVSA-N 2 1 288.357 3.569 20 0 CHADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(C(F)F)c(F)c1 ZINC000904301678 1126844421 /nfs/dbraw/zinc/84/44/21/1126844421.db2.gz OLCIORGCOOCJDW-CQSZACIVSA-N 2 1 288.357 3.569 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904325227 1126845839 /nfs/dbraw/zinc/84/58/39/1126845839.db2.gz SZNRFVWABRZWIO-RSUWNVLCSA-N 2 1 280.843 3.501 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252414139 1126853625 /nfs/dbraw/zinc/85/36/25/1126853625.db2.gz HBFQPUXTLRDIPE-CKEIUWERSA-N 2 1 292.854 3.865 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252414139 1126853627 /nfs/dbraw/zinc/85/36/27/1126853627.db2.gz HBFQPUXTLRDIPE-CKEIUWERSA-N 2 1 292.854 3.865 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)CCC(C)(C)CC)CC1 ZINC000484920541 1126854928 /nfs/dbraw/zinc/85/49/28/1126854928.db2.gz RFUBRMYIBZKMBN-UHFFFAOYSA-N 2 1 254.462 3.619 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cc2ccccc2o1 ZINC000182624016 1126874981 /nfs/dbraw/zinc/87/49/81/1126874981.db2.gz VGAKTEKVPJDQCS-DZGCQCFKSA-N 2 1 272.392 3.568 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cc2ccccc2o1 ZINC000182624016 1126874984 /nfs/dbraw/zinc/87/49/84/1126874984.db2.gz VGAKTEKVPJDQCS-DZGCQCFKSA-N 2 1 272.392 3.568 20 0 CHADMP CC[N@@H+](CC[C@@H](C)CC(C)(C)C)C1CC[NH2+]CC1 ZINC001235762291 1130775805 /nfs/dbraw/zinc/77/58/05/1130775805.db2.gz YDORMBANJJQKNX-CQSZACIVSA-N 2 1 254.462 3.523 20 0 CHADMP C[C@H](CC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000191084955 1126947171 /nfs/dbraw/zinc/94/71/71/1126947171.db2.gz JOQSINBKUHGTRE-JFIYKMOQSA-N 2 1 274.452 3.595 20 0 CHADMP C[C@H](CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000191084955 1126947174 /nfs/dbraw/zinc/94/71/74/1126947174.db2.gz JOQSINBKUHGTRE-JFIYKMOQSA-N 2 1 274.452 3.595 20 0 CHADMP C[C@H](CC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000191084955 1126947177 /nfs/dbraw/zinc/94/71/77/1126947177.db2.gz JOQSINBKUHGTRE-JFIYKMOQSA-N 2 1 274.452 3.595 20 0 CHADMP C[C@H](CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000191084955 1126947180 /nfs/dbraw/zinc/94/71/80/1126947180.db2.gz JOQSINBKUHGTRE-JFIYKMOQSA-N 2 1 274.452 3.595 20 0 CHADMP CC/C=C\CCCCCC[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235950890 1130814847 /nfs/dbraw/zinc/81/48/47/1130814847.db2.gz ORKISABXBNJWEK-VGOKWCNXSA-N 2 1 266.473 3.835 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000194422999 1126974923 /nfs/dbraw/zinc/97/49/23/1126974923.db2.gz VATDKUSCLNFRAE-IAGOWNOFSA-N 2 1 274.452 3.500 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cccc(O)c2)c1 ZINC000194883521 1126977919 /nfs/dbraw/zinc/97/79/19/1126977919.db2.gz XVVLEMPCCLIWJB-HNNXBMFYSA-N 2 1 298.430 3.695 20 0 CHADMP CCCCc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])s1 ZINC001236216878 1130891982 /nfs/dbraw/zinc/89/19/82/1130891982.db2.gz LTLIGZSVDZUFSX-JKSUJKDBSA-N 2 1 280.481 3.792 20 0 CHADMP CCCCc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])s1 ZINC001236216878 1130891988 /nfs/dbraw/zinc/89/19/88/1130891988.db2.gz LTLIGZSVDZUFSX-JKSUJKDBSA-N 2 1 280.481 3.792 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc2ccccc2o1 ZINC000268754885 1127022398 /nfs/dbraw/zinc/02/23/98/1127022398.db2.gz WRWVBCSHWOTJFJ-AWEZNQCLSA-N 2 1 298.430 3.958 20 0 CHADMP CC(C)(C[NH2+]Cc1sccc1Cl)C[NH+]1CCCC1 ZINC000487193715 1127023084 /nfs/dbraw/zinc/02/30/84/1127023084.db2.gz BNLGZPLKVSPWML-UHFFFAOYSA-N 2 1 286.872 3.613 20 0 CHADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(Cl)s1 ZINC000268837197 1127026240 /nfs/dbraw/zinc/02/62/40/1127026240.db2.gz UVRUMPFQGSGDNJ-LLVKDONJSA-N 2 1 283.828 3.647 20 0 CHADMP Cc1ccccc1[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC000268900943 1127027889 /nfs/dbraw/zinc/02/78/89/1127027889.db2.gz QDTLALCVDLLZOL-QILLFSRXSA-N 2 1 272.436 3.518 20 0 CHADMP Cc1ccccc1[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC000268900943 1127027893 /nfs/dbraw/zinc/02/78/93/1127027893.db2.gz QDTLALCVDLLZOL-QILLFSRXSA-N 2 1 272.436 3.518 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000268912993 1127028096 /nfs/dbraw/zinc/02/80/96/1127028096.db2.gz ZFQDFDMYKOKQCD-JTQLQIEISA-N 2 1 283.828 3.647 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000268918772 1127028904 /nfs/dbraw/zinc/02/89/04/1127028904.db2.gz PSWGGFQSVTUZBD-AYOQOUSVSA-N 2 1 297.446 3.754 20 0 CHADMP Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CCn2cc[nH+]c2C)o1 ZINC000270910290 1127063866 /nfs/dbraw/zinc/06/38/66/1127063866.db2.gz SSYDZDLHALOBSF-XJKSGUPXSA-N 2 1 287.407 3.566 20 0 CHADMP Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CCn2cc[nH+]c2C)o1 ZINC000270910290 1127063869 /nfs/dbraw/zinc/06/38/69/1127063869.db2.gz SSYDZDLHALOBSF-XJKSGUPXSA-N 2 1 287.407 3.566 20 0 CHADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000815557203 1130999405 /nfs/dbraw/zinc/99/94/05/1130999405.db2.gz OOFPXPHWPBLNKX-CQSZACIVSA-N 2 1 266.404 3.515 20 0 CHADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000815557203 1130999409 /nfs/dbraw/zinc/99/94/09/1130999409.db2.gz OOFPXPHWPBLNKX-CQSZACIVSA-N 2 1 266.404 3.515 20 0 CHADMP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)o1 ZINC000271217255 1127073166 /nfs/dbraw/zinc/07/31/66/1127073166.db2.gz XYKREUOXDKGQKV-DOMZBBRYSA-N 2 1 285.391 3.506 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cnccc2C)c1 ZINC000271588963 1127093726 /nfs/dbraw/zinc/09/37/26/1127093726.db2.gz SQPYWDNOOSMLKO-INIZCTEOSA-N 2 1 297.446 3.693 20 0 CHADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000349244499 1127144019 /nfs/dbraw/zinc/14/40/19/1127144019.db2.gz DNXOYBFZIZIAGR-AESZEHBQSA-N 2 1 272.436 3.616 20 0 CHADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000349244499 1127144021 /nfs/dbraw/zinc/14/40/21/1127144021.db2.gz DNXOYBFZIZIAGR-AESZEHBQSA-N 2 1 272.436 3.616 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000283488258 1127139593 /nfs/dbraw/zinc/13/95/93/1127139593.db2.gz XRXNGGRAHFRWOA-QXGSTGNESA-N 2 1 297.446 3.609 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000283488250 1127140023 /nfs/dbraw/zinc/14/00/23/1127140023.db2.gz XRXNGGRAHFRWOA-LNMJFAINSA-N 2 1 297.446 3.609 20 0 CHADMP CC[C@@H]1CCC[C@@H](C[N@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000349408318 1127150214 /nfs/dbraw/zinc/15/02/14/1127150214.db2.gz PFOAGSXIGQCZCW-IAGOWNOFSA-N 2 1 277.456 3.730 20 0 CHADMP CC[C@@H]1CCC[C@@H](C[N@@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000349408318 1127150216 /nfs/dbraw/zinc/15/02/16/1127150216.db2.gz PFOAGSXIGQCZCW-IAGOWNOFSA-N 2 1 277.456 3.730 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1C(C)=CCC[C@H]1C ZINC000349406072 1127150394 /nfs/dbraw/zinc/15/03/94/1127150394.db2.gz JSDMGIPQFCYOSK-WBVHZDCISA-N 2 1 275.440 3.506 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1C(C)=CCC[C@H]1C ZINC000349406072 1127150396 /nfs/dbraw/zinc/15/03/96/1127150396.db2.gz JSDMGIPQFCYOSK-WBVHZDCISA-N 2 1 275.440 3.506 20 0 CHADMP CC1(C)CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000571826161 1127177287 /nfs/dbraw/zinc/17/72/87/1127177287.db2.gz JRCPMZKRCPDRNB-CVEARBPZSA-N 2 1 264.457 3.562 20 0 CHADMP c1cc([C@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)cs1 ZINC000351310111 1127188137 /nfs/dbraw/zinc/18/81/37/1127188137.db2.gz ZOKJYBFIVTUNBI-MRXNPFEDSA-N 2 1 278.465 3.761 20 0 CHADMP c1cc([C@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)cs1 ZINC000351310111 1127188138 /nfs/dbraw/zinc/18/81/38/1127188138.db2.gz ZOKJYBFIVTUNBI-MRXNPFEDSA-N 2 1 278.465 3.761 20 0 CHADMP CC/C=C/CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000466806340 1127211964 /nfs/dbraw/zinc/21/19/64/1127211964.db2.gz SRHVVFPPSFEENO-PXPVJAHISA-N 2 1 286.463 3.797 20 0 CHADMP CC/C=C/CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000466806340 1127211968 /nfs/dbraw/zinc/21/19/68/1127211968.db2.gz SRHVVFPPSFEENO-PXPVJAHISA-N 2 1 286.463 3.797 20 0 CHADMP CC/C=C/CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000466806340 1127211971 /nfs/dbraw/zinc/21/19/71/1127211971.db2.gz SRHVVFPPSFEENO-PXPVJAHISA-N 2 1 286.463 3.797 20 0 CHADMP C[N@H+](C/C=C/c1ccccc1)C1CC[NH+](CC2CC2)CC1 ZINC001168387993 1127215228 /nfs/dbraw/zinc/21/52/28/1127215228.db2.gz ZFMTYQONZYXSLQ-VMPITWQZSA-N 2 1 284.447 3.506 20 0 CHADMP C[N@@H+](C/C=C/c1ccccc1)C1CC[NH+](CC2CC2)CC1 ZINC001168387993 1127215233 /nfs/dbraw/zinc/21/52/33/1127215233.db2.gz ZFMTYQONZYXSLQ-VMPITWQZSA-N 2 1 284.447 3.506 20 0 CHADMP CC[N@@H+](Cc1ccc(C)cc1)C1CC[NH+](CC2CC2)CC1 ZINC001168389947 1127219885 /nfs/dbraw/zinc/21/98/85/1127219885.db2.gz YNPNQPGAXIMZGP-UHFFFAOYSA-N 2 1 286.463 3.691 20 0 CHADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(C(F)F)cc2)C1 ZINC000572648018 1127223695 /nfs/dbraw/zinc/22/36/95/1127223695.db2.gz LCROCQZMZDBQLA-HZPDHXFCSA-N 2 1 294.389 3.540 20 0 CHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(C(F)F)cc2)C1 ZINC000572648018 1127223698 /nfs/dbraw/zinc/22/36/98/1127223698.db2.gz LCROCQZMZDBQLA-HZPDHXFCSA-N 2 1 294.389 3.540 20 0 CHADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(C(F)F)cc2)C1 ZINC000572648019 1127223820 /nfs/dbraw/zinc/22/38/20/1127223820.db2.gz LCROCQZMZDBQLA-JKSUJKDBSA-N 2 1 294.389 3.540 20 0 CHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(C(F)F)cc2)C1 ZINC000572648019 1127223822 /nfs/dbraw/zinc/22/38/22/1127223822.db2.gz LCROCQZMZDBQLA-JKSUJKDBSA-N 2 1 294.389 3.540 20 0 CHADMP Cc1ccnc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000285464732 1127230152 /nfs/dbraw/zinc/23/01/52/1127230152.db2.gz AJVHAGSIKVJGHB-IRXDYDNUSA-N 2 1 289.467 3.553 20 0 CHADMP C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH+](CC2CC2)CC1 ZINC001168393169 1127234261 /nfs/dbraw/zinc/23/42/61/1127234261.db2.gz YAHHAXSCSXMFIU-UHFFFAOYSA-N 2 1 292.854 3.646 20 0 CHADMP C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH+](CC2CC2)CC1 ZINC001168393169 1127234263 /nfs/dbraw/zinc/23/42/63/1127234263.db2.gz YAHHAXSCSXMFIU-UHFFFAOYSA-N 2 1 292.854 3.646 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)CCCCF)CC[N@@H+]1Cc1ccccc1 ZINC000286612474 1127269982 /nfs/dbraw/zinc/26/99/82/1127269982.db2.gz YLGSUEVCQUZDCS-WMZOPIPTSA-N 2 1 292.442 3.721 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)CCCCF)CC[N@H+]1Cc1ccccc1 ZINC000286612474 1127269984 /nfs/dbraw/zinc/26/99/84/1127269984.db2.gz YLGSUEVCQUZDCS-WMZOPIPTSA-N 2 1 292.442 3.721 20 0 CHADMP C[C@H]1C[C@@H]([N@H+](C)CCCCF)CC[NH+]1Cc1ccccc1 ZINC000286612474 1127269986 /nfs/dbraw/zinc/26/99/86/1127269986.db2.gz YLGSUEVCQUZDCS-WMZOPIPTSA-N 2 1 292.442 3.721 20 0 CHADMP C[C@H]1C[C@@H]([N@@H+](C)CCCCF)CC[NH+]1Cc1ccccc1 ZINC000286612474 1127269988 /nfs/dbraw/zinc/26/99/88/1127269988.db2.gz YLGSUEVCQUZDCS-WMZOPIPTSA-N 2 1 292.442 3.721 20 0 CHADMP CCCc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000591711960 1127314977 /nfs/dbraw/zinc/31/49/77/1127314977.db2.gz DOEHQBNEQRGQLJ-IBGZPJMESA-N 2 1 288.479 3.849 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)[C@@H](C)C1 ZINC000355479333 1127343537 /nfs/dbraw/zinc/34/35/37/1127343537.db2.gz ZWMORQOAPYWTCB-DOPJRALCSA-N 2 1 290.426 3.523 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CCC2 ZINC000359059497 1127447082 /nfs/dbraw/zinc/44/70/82/1127447082.db2.gz AWBKVKYPMCZOAT-QLOJAFMTSA-N 2 1 298.474 3.979 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc3ccccc3n2)CC1 ZINC000359617004 1127470191 /nfs/dbraw/zinc/47/01/91/1127470191.db2.gz CVAZOAPIEWPQLX-HNNXBMFYSA-N 2 1 297.446 3.760 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC001308797941 1127485722 /nfs/dbraw/zinc/48/57/22/1127485722.db2.gz MDJZNORHCZAWKG-IAGOWNOFSA-N 2 1 276.468 3.890 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC001308797941 1127485726 /nfs/dbraw/zinc/48/57/26/1127485726.db2.gz MDJZNORHCZAWKG-IAGOWNOFSA-N 2 1 276.468 3.890 20 0 CHADMP CC(C)C1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000293631743 1127509986 /nfs/dbraw/zinc/50/99/86/1127509986.db2.gz GOTRUKLAVFCJFE-LDLYASANSA-N 2 1 298.474 3.960 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC000360919200 1127520422 /nfs/dbraw/zinc/52/04/22/1127520422.db2.gz LWKJTOZVGLCNJB-GDBMZVCRSA-N 2 1 290.426 3.536 20 0 CHADMP Clc1sccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000361508853 1127568164 /nfs/dbraw/zinc/56/81/64/1127568164.db2.gz QLAABMJSXCFZJJ-UHFFFAOYSA-N 2 1 298.883 3.709 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cc(F)ccc1F ZINC000361972234 1127603547 /nfs/dbraw/zinc/60/35/47/1127603547.db2.gz PTIXJIHMSSDGTD-KEYYUXOJSA-N 2 1 296.405 3.878 20 0 CHADMP CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cc(F)ccc1F ZINC000361972235 1127603572 /nfs/dbraw/zinc/60/35/72/1127603572.db2.gz PTIXJIHMSSDGTD-VBQJREDUSA-N 2 1 296.405 3.878 20 0 CHADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC(C)(C)Cc3occc32)C1 ZINC000361970702 1127603950 /nfs/dbraw/zinc/60/39/50/1127603950.db2.gz IZDPVOABNFKAGP-FMKPAKJESA-N 2 1 290.451 3.756 20 0 CHADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)CC[N@@H+]1C ZINC000294859533 1127604576 /nfs/dbraw/zinc/60/45/76/1127604576.db2.gz BWLPWQYEYQLUPC-XQLPTFJDSA-N 2 1 292.854 3.658 20 0 CHADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)CC[N@H+]1C ZINC000294859533 1127604579 /nfs/dbraw/zinc/60/45/79/1127604579.db2.gz BWLPWQYEYQLUPC-XQLPTFJDSA-N 2 1 292.854 3.658 20 0 CHADMP CCC[N@H+](CCCn1cc[nH+]c1C)CCc1cccs1 ZINC000362254241 1127622514 /nfs/dbraw/zinc/62/25/14/1127622514.db2.gz YWPADFWMJRNZDG-UHFFFAOYSA-N 2 1 291.464 3.598 20 0 CHADMP CCC[N@@H+](CCCn1cc[nH+]c1C)CCc1cccs1 ZINC000362254241 1127622516 /nfs/dbraw/zinc/62/25/16/1127622516.db2.gz YWPADFWMJRNZDG-UHFFFAOYSA-N 2 1 291.464 3.598 20 0 CHADMP Cc1sccc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000295227021 1127628544 /nfs/dbraw/zinc/62/85/44/1127628544.db2.gz CJIZDVAIPPCGEO-INIZCTEOSA-N 2 1 278.465 3.507 20 0 CHADMP Cc1sccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000295227021 1127628547 /nfs/dbraw/zinc/62/85/47/1127628547.db2.gz CJIZDVAIPPCGEO-INIZCTEOSA-N 2 1 278.465 3.507 20 0 CHADMP Cc1sccc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000295227024 1127628617 /nfs/dbraw/zinc/62/86/17/1127628617.db2.gz CJIZDVAIPPCGEO-MRXNPFEDSA-N 2 1 278.465 3.507 20 0 CHADMP Cc1sccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000295227024 1127628618 /nfs/dbraw/zinc/62/86/18/1127628618.db2.gz CJIZDVAIPPCGEO-MRXNPFEDSA-N 2 1 278.465 3.507 20 0 CHADMP C[C@H]1CCC[NH+]1Cc1ccc(C[N@@H+]2CCC[C@@H]2C)cc1 ZINC000362435395 1127635630 /nfs/dbraw/zinc/63/56/30/1127635630.db2.gz SJGHVHOMPRKHFT-HOTGVXAUSA-N 2 1 272.436 3.655 20 0 CHADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000682375731 1127643929 /nfs/dbraw/zinc/64/39/29/1127643929.db2.gz MSXQQNWEAYGVIE-SFFUCWETSA-N 2 1 278.484 3.664 20 0 CHADMP C[C@@H]([NH2+]CCC(C)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295584892 1127646989 /nfs/dbraw/zinc/64/69/89/1127646989.db2.gz BQONSQKKPWLTJH-GDBMZVCRSA-N 2 1 296.405 3.532 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@H]2c2ccccc2)CC[N@H+]1C ZINC000295863522 1127655866 /nfs/dbraw/zinc/65/58/66/1127655866.db2.gz BPVUVCBFCGEIHK-OWYHZJEWSA-N 2 1 286.463 3.643 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]C2(Cc3ccccc3)CCC2)CC1(C)C ZINC001118855635 1131240386 /nfs/dbraw/zinc/24/03/86/1131240386.db2.gz MFWYXUGSCDFXQU-QGZVFWFLSA-N 2 1 286.463 3.614 20 0 CHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000298703223 1127729205 /nfs/dbraw/zinc/72/92/05/1127729205.db2.gz FFCSDIHXCWBRHZ-INIZCTEOSA-N 2 1 272.436 3.698 20 0 CHADMP C[C@H]1CCC[NH+](CCCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000607150443 1127793552 /nfs/dbraw/zinc/79/35/52/1127793552.db2.gz QYDDCMQJQQITTG-IRXDYDNUSA-N 2 1 266.473 3.621 20 0 CHADMP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373522038 1127847617 /nfs/dbraw/zinc/84/76/17/1127847617.db2.gz LTXJUPAJGKMQCH-RFXRWBHQSA-N 2 1 284.447 3.526 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)s1 ZINC000373523676 1127848356 /nfs/dbraw/zinc/84/83/56/1127848356.db2.gz WBKJMYPWQOQHEB-NFOMZHRRSA-N 2 1 278.465 3.724 20 0 CHADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@H+]1CCC12CCC2 ZINC000411304484 1127853199 /nfs/dbraw/zinc/85/31/99/1127853199.db2.gz BVXMRUJWJRDPCQ-UHFFFAOYSA-N 2 1 284.447 3.801 20 0 CHADMP C[C@@H]1CCC[NH+]1CCCCCC[N@@H+]1CCC[C@@H]1C ZINC000173988959 1127864578 /nfs/dbraw/zinc/86/45/78/1127864578.db2.gz CDZVNGRRTPCJPL-IYBDPMFKSA-N 2 1 252.446 3.515 20 0 CHADMP C[C@@H]1CCC[N@H+]1CCCCCC[NH+]1CCC[C@@H]1C ZINC000173988959 1127864581 /nfs/dbraw/zinc/86/45/81/1127864581.db2.gz CDZVNGRRTPCJPL-IYBDPMFKSA-N 2 1 252.446 3.515 20 0 CHADMP C[C@@H]1CCC[N@@H+]1CCCCCC[NH+]1CCC[C@@H]1C ZINC000173988959 1127864584 /nfs/dbraw/zinc/86/45/84/1127864584.db2.gz CDZVNGRRTPCJPL-IYBDPMFKSA-N 2 1 252.446 3.515 20 0 CHADMP CCC(C)(C)CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000608497466 1127869997 /nfs/dbraw/zinc/86/99/97/1127869997.db2.gz DVMFGBNBHCYTAB-MRXNPFEDSA-N 2 1 266.473 3.763 20 0 CHADMP C[NH+](CC1CCCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000608510608 1127874627 /nfs/dbraw/zinc/87/46/27/1127874627.db2.gz IDZXGGIISGEFAT-IBGZPJMESA-N 2 1 286.463 3.631 20 0 CHADMP C[N@@H+](CC1CCCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000608510608 1127874620 /nfs/dbraw/zinc/87/46/20/1127874620.db2.gz IDZXGGIISGEFAT-IBGZPJMESA-N 2 1 286.463 3.631 20 0 CHADMP C[NH+](CC1CCCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000608510608 1127874623 /nfs/dbraw/zinc/87/46/23/1127874623.db2.gz IDZXGGIISGEFAT-IBGZPJMESA-N 2 1 286.463 3.631 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000412013205 1127887858 /nfs/dbraw/zinc/88/78/58/1127887858.db2.gz NQGICWDGPCPITH-RTBURBONSA-N 2 1 297.446 3.850 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000412013205 1127887861 /nfs/dbraw/zinc/88/78/61/1127887861.db2.gz NQGICWDGPCPITH-RTBURBONSA-N 2 1 297.446 3.850 20 0 CHADMP Cn1cncc1CCC[N@H+]1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC000653777477 1127934084 /nfs/dbraw/zinc/93/40/84/1127934084.db2.gz NBVAQVUDWZKWEE-WBVHZDCISA-N 2 1 289.467 3.501 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC000653777477 1127934086 /nfs/dbraw/zinc/93/40/86/1127934086.db2.gz NBVAQVUDWZKWEE-WBVHZDCISA-N 2 1 289.467 3.501 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC000653777477 1127934088 /nfs/dbraw/zinc/93/40/88/1127934088.db2.gz NBVAQVUDWZKWEE-WBVHZDCISA-N 2 1 289.467 3.501 20 0 CHADMP CCC(CC)(CC)C[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000544020464 1127954690 /nfs/dbraw/zinc/95/46/90/1127954690.db2.gz JTXVIUJULDVFLK-GJZGRUSLSA-N 2 1 254.462 3.617 20 0 CHADMP CCC(CC)(CC)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000544020464 1127954693 /nfs/dbraw/zinc/95/46/93/1127954693.db2.gz JTXVIUJULDVFLK-GJZGRUSLSA-N 2 1 254.462 3.617 20 0 CHADMP CCC(CC)(CC)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000544020464 1127954695 /nfs/dbraw/zinc/95/46/95/1127954695.db2.gz JTXVIUJULDVFLK-GJZGRUSLSA-N 2 1 254.462 3.617 20 0 CHADMP CCC(CC)(CC)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000544020464 1127954699 /nfs/dbraw/zinc/95/46/99/1127954699.db2.gz JTXVIUJULDVFLK-GJZGRUSLSA-N 2 1 254.462 3.617 20 0 CHADMP CCC(CC)(CC)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000544020464 1127954703 /nfs/dbraw/zinc/95/47/03/1127954703.db2.gz JTXVIUJULDVFLK-GJZGRUSLSA-N 2 1 254.462 3.617 20 0 CHADMP Cc1cccc(C2=CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000540045014 1127958356 /nfs/dbraw/zinc/95/83/56/1127958356.db2.gz YTHBGDISKVSUOX-HXUWFJFHSA-N 2 1 298.474 3.959 20 0 CHADMP Cc1cccc(C2=CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000540045014 1127958358 /nfs/dbraw/zinc/95/83/58/1127958358.db2.gz YTHBGDISKVSUOX-HXUWFJFHSA-N 2 1 298.474 3.959 20 0 CHADMP Cc1cccc(C2=CC[N@H+](CC[C@H]3CCCC[NH+]3C)CC2)c1 ZINC000540045014 1127958360 /nfs/dbraw/zinc/95/83/60/1127958360.db2.gz YTHBGDISKVSUOX-HXUWFJFHSA-N 2 1 298.474 3.959 20 0 CHADMP Cc1cccc(C2=CC[N@@H+](CC[C@H]3CCCC[NH+]3C)CC2)c1 ZINC000540045014 1127958362 /nfs/dbraw/zinc/95/83/62/1127958362.db2.gz YTHBGDISKVSUOX-HXUWFJFHSA-N 2 1 298.474 3.959 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC[C@H](C)C2)C[C@H]1C ZINC000540052738 1127958875 /nfs/dbraw/zinc/95/88/75/1127958875.db2.gz PAIGBQAKUYMWTR-HZMVEIRTSA-N 2 1 266.473 3.617 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000467238342 1127961069 /nfs/dbraw/zinc/96/10/69/1127961069.db2.gz MFDNUJBASFDWCF-MOPGFXCFSA-N 2 1 286.463 3.568 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000467238342 1127961072 /nfs/dbraw/zinc/96/10/72/1127961072.db2.gz MFDNUJBASFDWCF-MOPGFXCFSA-N 2 1 286.463 3.568 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000467238342 1127961074 /nfs/dbraw/zinc/96/10/74/1127961074.db2.gz MFDNUJBASFDWCF-MOPGFXCFSA-N 2 1 286.463 3.568 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)C1CCCCC1 ZINC000540146610 1127962517 /nfs/dbraw/zinc/96/25/17/1127962517.db2.gz HWYITYCTNJMMBZ-VYDXJSESSA-N 2 1 280.500 3.911 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)C1CCCCC1 ZINC000540146604 1127962620 /nfs/dbraw/zinc/96/26/20/1127962620.db2.gz HWYITYCTNJMMBZ-BFYDXBDKSA-N 2 1 280.500 3.911 20 0 CHADMP CC(C)CCC[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000540169134 1127964807 /nfs/dbraw/zinc/96/48/07/1127964807.db2.gz DAUKKPZHXBLKSI-KURKYZTESA-N 2 1 298.515 3.680 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000544347144 1127968684 /nfs/dbraw/zinc/96/86/84/1127968684.db2.gz IITRQVTYMWUBRI-HOTGVXAUSA-N 2 1 266.473 3.617 20 0 CHADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000544348976 1127968859 /nfs/dbraw/zinc/96/88/59/1127968859.db2.gz OAAMCKIGLBRPJO-XMTFNYHQSA-N 2 1 278.484 3.619 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000544348976 1127968862 /nfs/dbraw/zinc/96/88/62/1127968862.db2.gz OAAMCKIGLBRPJO-XMTFNYHQSA-N 2 1 278.484 3.619 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000544348976 1127968865 /nfs/dbraw/zinc/96/88/65/1127968865.db2.gz OAAMCKIGLBRPJO-XMTFNYHQSA-N 2 1 278.484 3.619 20 0 CHADMP CC[N@H+]1CC[C@H](CN[C@H](c2ccc(C)o2)C2CCCC2)C1 ZINC000540475302 1127980117 /nfs/dbraw/zinc/98/01/17/1127980117.db2.gz MLAVUTAKUITNTG-QAPCUYQASA-N 2 1 290.451 3.751 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(C)o2)C2CCCC2)C1 ZINC000540475302 1127980123 /nfs/dbraw/zinc/98/01/23/1127980123.db2.gz MLAVUTAKUITNTG-QAPCUYQASA-N 2 1 290.451 3.751 20 0 CHADMP C[C@H](C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000540549682 1127984620 /nfs/dbraw/zinc/98/46/20/1127984620.db2.gz SQULWCAXMHQSCR-ZAWLATJESA-N 2 1 286.463 3.643 20 0 CHADMP C[C@H](C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000540549682 1127984625 /nfs/dbraw/zinc/98/46/25/1127984625.db2.gz SQULWCAXMHQSCR-ZAWLATJESA-N 2 1 286.463 3.643 20 0 CHADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1C(C)(C)C ZINC000540608413 1127986810 /nfs/dbraw/zinc/98/68/10/1127986810.db2.gz WBJOIWSDEDHPPJ-HNNXBMFYSA-N 2 1 286.463 3.897 20 0 CHADMP CC(C)[C@@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccc(F)c(F)c1 ZINC000540986520 1128003845 /nfs/dbraw/zinc/00/38/45/1128003845.db2.gz UFBUROKYSOESCT-QGZVFWFLSA-N 2 1 298.421 3.982 20 0 CHADMP CC(C)[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccc(F)c(F)c1 ZINC000540986520 1128003849 /nfs/dbraw/zinc/00/38/49/1128003849.db2.gz UFBUROKYSOESCT-QGZVFWFLSA-N 2 1 298.421 3.982 20 0 CHADMP CC1(C)CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256908844 1128015584 /nfs/dbraw/zinc/01/55/84/1128015584.db2.gz QPGDFZFBRSSVBH-LSDHHAIUSA-N 2 1 264.457 3.562 20 0 CHADMP CC1(C)CC[C@H]([NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256908844 1128015585 /nfs/dbraw/zinc/01/55/85/1128015585.db2.gz QPGDFZFBRSSVBH-LSDHHAIUSA-N 2 1 264.457 3.562 20 0 CHADMP Cc1cccc(C)c1[C@@H](C)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000545517631 1128018296 /nfs/dbraw/zinc/01/82/96/1128018296.db2.gz RBDGRXFCVKFZNH-SJORKVTESA-N 2 1 274.452 3.828 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CC(C)C)CCC2)[C@H](C)C1 ZINC000468873333 1128025642 /nfs/dbraw/zinc/02/56/42/1128025642.db2.gz GFEPHURXOHFNDW-HZPDHXFCSA-N 2 1 266.473 3.523 20 0 CHADMP Cc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C2CCC2)o1 ZINC000541744119 1128036761 /nfs/dbraw/zinc/03/67/61/1128036761.db2.gz CKICYLBPRVCLGJ-KSSFIOAISA-N 2 1 288.435 3.503 20 0 CHADMP Cc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C2CCC2)o1 ZINC000541744119 1128036765 /nfs/dbraw/zinc/03/67/65/1128036765.db2.gz CKICYLBPRVCLGJ-KSSFIOAISA-N 2 1 288.435 3.503 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCC2CCCC2)[C@@H](C)C1 ZINC000469281028 1128039600 /nfs/dbraw/zinc/03/96/00/1128039600.db2.gz QGDZSUQDPHPUBU-DOTOQJQBSA-N 2 1 266.473 3.667 20 0 CHADMP c1ccc([C@H]2CCCCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000469873124 1128057068 /nfs/dbraw/zinc/05/70/68/1128057068.db2.gz XUBQYIKVWGDMCM-FUHWJXTLSA-N 2 1 272.436 3.603 20 0 CHADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(-c2ccccc2)c1 ZINC000469866083 1128057196 /nfs/dbraw/zinc/05/71/96/1128057196.db2.gz XIDRNKYWIIJLCE-DOTOQJQBSA-N 2 1 280.415 3.523 20 0 CHADMP CC(C)([NH3+])C[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000469971164 1128059878 /nfs/dbraw/zinc/05/98/78/1128059878.db2.gz FUPVHHHZDPQGCX-UHFFFAOYSA-N 2 1 298.883 3.634 20 0 CHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(C)cc3)c2)C1 ZINC000470003193 1128061440 /nfs/dbraw/zinc/06/14/40/1128061440.db2.gz OKOLKNMGGFNDHP-SFHVURJKSA-N 2 1 294.442 3.703 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000470259630 1128067285 /nfs/dbraw/zinc/06/72/85/1128067285.db2.gz RVMXGYCQMAAQRH-QZWWFDLISA-N 2 1 266.473 3.523 20 0 CHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000470363842 1128070197 /nfs/dbraw/zinc/07/01/97/1128070197.db2.gz QPOAOAXFQAVGGU-WWGRRREGSA-N 2 1 280.843 3.516 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CCCCCC2)C1 ZINC000557273965 1128097652 /nfs/dbraw/zinc/09/76/52/1128097652.db2.gz PPMWTHIWTMAFFD-MRXNPFEDSA-N 2 1 266.473 3.667 20 0 CHADMP CC1(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC(F)(F)C1 ZINC000925732749 1128138850 /nfs/dbraw/zinc/13/88/50/1128138850.db2.gz CSRXOCRJFYUCNR-CABCVRRESA-N 2 1 294.389 3.505 20 0 CHADMP CCC1([NH3+])CC[NH+]([C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000925758468 1128140819 /nfs/dbraw/zinc/14/08/19/1128140819.db2.gz CTPBGTISZKPQJA-CQSZACIVSA-N 2 1 294.439 3.566 20 0 CHADMP Cc1oc2ccccc2c1[C@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000925812556 1128142999 /nfs/dbraw/zinc/14/29/99/1128142999.db2.gz IYCQOOXENQIODB-GXTWGEPZSA-N 2 1 295.386 3.603 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CC2CCC(C)CC2)C[C@H]1C ZINC000542507364 1128199143 /nfs/dbraw/zinc/19/91/43/1128199143.db2.gz VTJSOCSLBOWROM-MYBQVCMBSA-N 2 1 266.473 3.617 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CC2CCC(C)CC2)C[C@H]1C ZINC000542507364 1128199145 /nfs/dbraw/zinc/19/91/45/1128199145.db2.gz VTJSOCSLBOWROM-MYBQVCMBSA-N 2 1 266.473 3.617 20 0 CHADMP CC1CCC(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000542508576 1128200826 /nfs/dbraw/zinc/20/08/26/1128200826.db2.gz HYVQYOXUHVCIGX-HTPOPCQBSA-N 2 1 290.495 3.761 20 0 CHADMP CC1CCC(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000542508576 1128200828 /nfs/dbraw/zinc/20/08/28/1128200828.db2.gz HYVQYOXUHVCIGX-HTPOPCQBSA-N 2 1 290.495 3.761 20 0 CHADMP CC1CCC(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000542508576 1128200829 /nfs/dbraw/zinc/20/08/29/1128200829.db2.gz HYVQYOXUHVCIGX-HTPOPCQBSA-N 2 1 290.495 3.761 20 0 CHADMP CN1CCC[C@@H](C[N@@H+](C)[C@H]2CCc3cc(Cl)ccc32)C1 ZINC000777783644 1128274391 /nfs/dbraw/zinc/27/43/91/1128274391.db2.gz CUHYLOYFMZSWRV-DYVFJYSZSA-N 2 1 292.854 3.601 20 0 CHADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCc2cc(Cl)ccc21 ZINC000777783644 1128274396 /nfs/dbraw/zinc/27/43/96/1128274396.db2.gz CUHYLOYFMZSWRV-DYVFJYSZSA-N 2 1 292.854 3.601 20 0 CHADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCc2cc(Cl)ccc21 ZINC000777783644 1128274398 /nfs/dbraw/zinc/27/43/98/1128274398.db2.gz CUHYLOYFMZSWRV-DYVFJYSZSA-N 2 1 292.854 3.601 20 0 CHADMP CCCCCC[C@@H](C)[N@H+](C)C1CC[NH+](CC)CC1 ZINC001257368538 1128276826 /nfs/dbraw/zinc/27/68/26/1128276826.db2.gz NWCNFUMGPYLBOI-OAHLLOKOSA-N 2 1 254.462 3.761 20 0 CHADMP CCCCCC[C@@H](C)[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001257368538 1128276828 /nfs/dbraw/zinc/27/68/28/1128276828.db2.gz NWCNFUMGPYLBOI-OAHLLOKOSA-N 2 1 254.462 3.761 20 0 CHADMP CC(C)C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccs1 ZINC000542556300 1128278030 /nfs/dbraw/zinc/27/80/30/1128278030.db2.gz NQTFSAXWPJODBW-GJZGRUSLSA-N 2 1 280.481 3.909 20 0 CHADMP C[C@H](C[NH2+][C@@H]1CCSc2ccc(Cl)cc21)C[NH+](C)C ZINC000336817054 1129228568 /nfs/dbraw/zinc/22/85/68/1129228568.db2.gz OKXMHQLOWLOKGF-BXUZGUMPSA-N 2 1 298.883 3.664 20 0 CHADMP CCCC[C@@H](CC)[NH+]1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001257425686 1128359529 /nfs/dbraw/zinc/35/95/29/1128359529.db2.gz WZKRMUPBAOYWMF-AEFFLSMTSA-N 2 1 296.499 3.530 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC1(C)C ZINC000397592293 1128368714 /nfs/dbraw/zinc/36/87/14/1128368714.db2.gz KGLFQHLVBGSFED-YJBOKZPZSA-N 2 1 286.463 3.675 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H]2CCCC[C@H]2C)C1 ZINC001649175991 1128403647 /nfs/dbraw/zinc/40/36/47/1128403647.db2.gz SYKFQDQYBBGOPE-IXDOHACOSA-N 2 1 266.473 3.523 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](c2ccccc2)C(C)(C)C)CC1 ZINC000036994576 1128404976 /nfs/dbraw/zinc/40/49/76/1128404976.db2.gz YKHCVSVDAPVENA-KRWDZBQOSA-N 2 1 274.452 3.848 20 0 CHADMP CCC[C@H](C)CC[C@@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC001257463198 1128443341 /nfs/dbraw/zinc/44/33/41/1128443341.db2.gz KEHBTCGIFBULAQ-LSDHHAIUSA-N 2 1 254.462 3.665 20 0 CHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc3ccccc32)CCN1C ZINC000123412402 1128420393 /nfs/dbraw/zinc/42/03/93/1128420393.db2.gz RLLIQNJUMYSWCI-MAUKXSAKSA-N 2 1 282.431 3.754 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc3ccccc32)CC[N@@H+]1C ZINC000123412402 1128420394 /nfs/dbraw/zinc/42/03/94/1128420394.db2.gz RLLIQNJUMYSWCI-MAUKXSAKSA-N 2 1 282.431 3.754 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc3ccccc32)CC[N@H+]1C ZINC000123412402 1128420396 /nfs/dbraw/zinc/42/03/96/1128420396.db2.gz RLLIQNJUMYSWCI-MAUKXSAKSA-N 2 1 282.431 3.754 20 0 CHADMP C[C@H]1C[C@H]([N@H+](C)Cc2cccc3ccccc32)CC[NH+]1C ZINC000123412402 1128420397 /nfs/dbraw/zinc/42/03/97/1128420397.db2.gz RLLIQNJUMYSWCI-MAUKXSAKSA-N 2 1 282.431 3.754 20 0 CHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc3ccccc32)CC[NH+]1C ZINC000123412402 1128420400 /nfs/dbraw/zinc/42/04/00/1128420400.db2.gz RLLIQNJUMYSWCI-MAUKXSAKSA-N 2 1 282.431 3.754 20 0 CHADMP CCC1CCC(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000037905252 1128437397 /nfs/dbraw/zinc/43/73/97/1128437397.db2.gz IKYIRWJSBPIYFK-VAZJSPDQSA-N 2 1 266.473 3.521 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000124015510 1128441268 /nfs/dbraw/zinc/44/12/68/1128441268.db2.gz DXIZHMIJWRNLLV-QGZVFWFLSA-N 2 1 277.456 3.730 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC000124015510 1128441270 /nfs/dbraw/zinc/44/12/70/1128441270.db2.gz DXIZHMIJWRNLLV-QGZVFWFLSA-N 2 1 277.456 3.730 20 0 CHADMP CCC[C@H](C)CC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001257463111 1128442506 /nfs/dbraw/zinc/44/25/06/1128442506.db2.gz JFKQEKQJTYIWRQ-ARFHVFGLSA-N 2 1 254.462 3.523 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2c3ccccc3C[C@H]2C)C1 ZINC000125813727 1128453656 /nfs/dbraw/zinc/45/36/56/1128453656.db2.gz PMMKVJYJQKVAGS-JTDSTZFVSA-N 2 1 286.463 3.630 20 0 CHADMP Cc1cccnc1[C@H](NCC[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC000934290496 1128456597 /nfs/dbraw/zinc/45/65/97/1128456597.db2.gz GFZRZWQIVDWLTP-WBVHZDCISA-N 2 1 289.467 3.551 20 0 CHADMP Cc1cccnc1[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC000934290496 1128456600 /nfs/dbraw/zinc/45/66/00/1128456600.db2.gz GFZRZWQIVDWLTP-WBVHZDCISA-N 2 1 289.467 3.551 20 0 CHADMP Cc1cccnc1[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC000934290496 1128456601 /nfs/dbraw/zinc/45/66/01/1128456601.db2.gz GFZRZWQIVDWLTP-WBVHZDCISA-N 2 1 289.467 3.551 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)o1 ZINC000126006261 1128460435 /nfs/dbraw/zinc/46/04/35/1128460435.db2.gz RKZHTGBBGIDMET-LSDHHAIUSA-N 2 1 278.440 3.613 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)o1 ZINC000126006261 1128460437 /nfs/dbraw/zinc/46/04/37/1128460437.db2.gz RKZHTGBBGIDMET-LSDHHAIUSA-N 2 1 278.440 3.613 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CCC(C)CC2)C1 ZINC000563800766 1128479246 /nfs/dbraw/zinc/47/92/46/1128479246.db2.gz JBIZSMSOZWDGRN-CGZBRXJRSA-N 2 1 266.473 3.523 20 0 CHADMP CCC(CC)[N@H+](CCCn1cc[nH+]c1C)CC(C)C ZINC000127390155 1128476992 /nfs/dbraw/zinc/47/69/92/1128476992.db2.gz HNMQYZFKRDGUGM-UHFFFAOYSA-N 2 1 265.445 3.728 20 0 CHADMP CCC(CC)[N@@H+](CCCn1cc[nH+]c1C)CC(C)C ZINC000127390155 1128476994 /nfs/dbraw/zinc/47/69/94/1128476994.db2.gz HNMQYZFKRDGUGM-UHFFFAOYSA-N 2 1 265.445 3.728 20 0 CHADMP CC(C)C1([NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000556234412 1128566562 /nfs/dbraw/zinc/56/65/62/1128566562.db2.gz XFTSLKLWWYRKDW-IRXDYDNUSA-N 2 1 272.436 3.600 20 0 CHADMP CC(C)C1([NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000556234412 1128566564 /nfs/dbraw/zinc/56/65/64/1128566564.db2.gz XFTSLKLWWYRKDW-IRXDYDNUSA-N 2 1 272.436 3.600 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1c[nH+]ccc1N)CCC2 ZINC000567640447 1128569635 /nfs/dbraw/zinc/56/96/35/1128569635.db2.gz JJIPWHOVILKNDB-FZKQIMNGSA-N 2 1 281.403 3.531 20 0 CHADMP C/C(=C/c1ccccc1)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000568100152 1128577650 /nfs/dbraw/zinc/57/76/50/1128577650.db2.gz VAXZUTHJGSCJAO-BLMOFCDVSA-N 2 1 284.447 3.508 20 0 CHADMP CC(C)[C@H](c1ccccc1Cl)[N@@H+](C)CCn1ccnc1 ZINC000131333767 1128614668 /nfs/dbraw/zinc/61/46/68/1128614668.db2.gz OZJSNVKORJAHRM-MRXNPFEDSA-N 2 1 291.826 3.866 20 0 CHADMP CC(C)[NH+]1CCC(Nc2cccc3cc[nH+]cc32)CC1 ZINC000131457820 1128620115 /nfs/dbraw/zinc/62/01/15/1128620115.db2.gz YBIDCAZGVNKUDT-UHFFFAOYSA-N 2 1 269.392 3.520 20 0 CHADMP CC[C@@H](c1ccccc1)[N@@H+](CCn1ccnc1)CC(C)C ZINC000499052743 1128636115 /nfs/dbraw/zinc/63/61/15/1128636115.db2.gz KLGQHGNZUCICOM-SFHVURJKSA-N 2 1 285.435 3.992 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CCC2=CCCCCC2)[C@@H]2CCC[C@@H]21 ZINC000556892939 1128634193 /nfs/dbraw/zinc/63/41/93/1128634193.db2.gz QLKRTSLOHFASGO-BZSNNMDCSA-N 2 1 276.468 3.729 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CC(c2ccccc2F)C1 ZINC000571679149 1128638016 /nfs/dbraw/zinc/63/80/16/1128638016.db2.gz LCURHAJVRQVIED-FHERZECASA-N 2 1 292.442 3.782 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CC(c2ccccc2F)C1 ZINC000571679149 1128638019 /nfs/dbraw/zinc/63/80/19/1128638019.db2.gz LCURHAJVRQVIED-FHERZECASA-N 2 1 292.442 3.782 20 0 CHADMP Cc1ccc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000572019760 1128640592 /nfs/dbraw/zinc/64/05/92/1128640592.db2.gz PNVBJWCYCOORSJ-OWYHZJEWSA-N 2 1 286.463 3.561 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc2ccccc2s1 ZINC000132075006 1128642765 /nfs/dbraw/zinc/64/27/65/1128642765.db2.gz USZHZBLASUTWPP-ZDUSSCGKSA-N 2 1 299.443 3.832 20 0 CHADMP COc1ccc([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1Cl ZINC000132122803 1128643679 /nfs/dbraw/zinc/64/36/79/1128643679.db2.gz XVQNOZUVZGSXFV-LBPRGKRZSA-N 2 1 298.858 3.587 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)c2sccc21 ZINC000572713349 1128647082 /nfs/dbraw/zinc/64/70/82/1128647082.db2.gz QYIIAYRLHIDOBJ-UMVBOHGHSA-N 2 1 278.465 3.618 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)c2sccc21 ZINC000572713349 1128647084 /nfs/dbraw/zinc/64/70/84/1128647084.db2.gz QYIIAYRLHIDOBJ-UMVBOHGHSA-N 2 1 278.465 3.618 20 0 CHADMP CCCc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000556934963 1128648941 /nfs/dbraw/zinc/64/89/41/1128648941.db2.gz ZCVGLEMPSFXGGH-IBGZPJMESA-N 2 1 286.463 3.557 20 0 CHADMP CCCc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000556934963 1128648943 /nfs/dbraw/zinc/64/89/43/1128648943.db2.gz ZCVGLEMPSFXGGH-IBGZPJMESA-N 2 1 286.463 3.557 20 0 CHADMP CCCc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000556934963 1128648945 /nfs/dbraw/zinc/64/89/45/1128648945.db2.gz ZCVGLEMPSFXGGH-IBGZPJMESA-N 2 1 286.463 3.557 20 0 CHADMP CCC[C@@H](C)C[N@@H+](Cc1ccco1)C1CCN(C)CC1 ZINC000574944454 1128665103 /nfs/dbraw/zinc/66/51/03/1128665103.db2.gz PKCIHUHOXYORPH-OAHLLOKOSA-N 2 1 278.440 3.612 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C/C=C/Cl)CC1 ZINC000158987821 1128673075 /nfs/dbraw/zinc/67/30/75/1128673075.db2.gz IMSCQCVCFASHPX-ULYATVDSSA-N 2 1 284.875 3.715 20 0 CHADMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccnc(Cl)c1 ZINC000159620500 1128713579 /nfs/dbraw/zinc/71/35/79/1128713579.db2.gz KZBVGELECKTESU-NSHDSACASA-N 2 1 295.858 3.695 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](CCC(C)C)C(C)(C)C)C1 ZINC000578694301 1128726617 /nfs/dbraw/zinc/72/66/17/1128726617.db2.gz PPWBGRXSNNZARX-JKSUJKDBSA-N 2 1 268.489 3.769 20 0 CHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC3CCCC3)CC23CC3)cc1 ZINC000578891160 1128731976 /nfs/dbraw/zinc/73/19/76/1128731976.db2.gz GRZGVVAPBXKQMU-IBGZPJMESA-N 2 1 298.474 3.963 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC3CCCC3)CC23CC3)cc1 ZINC000578891160 1128731980 /nfs/dbraw/zinc/73/19/80/1128731980.db2.gz GRZGVVAPBXKQMU-IBGZPJMESA-N 2 1 298.474 3.963 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CCC2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000090233843 1117758713 /nfs/dbraw/zinc/75/87/13/1117758713.db2.gz UCZHKNGQEXIEQX-VQIMIIECSA-N 2 1 286.463 3.819 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CCC2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000090233843 1117758717 /nfs/dbraw/zinc/75/87/17/1117758717.db2.gz UCZHKNGQEXIEQX-VQIMIIECSA-N 2 1 286.463 3.819 20 0 CHADMP CC(C)CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C(C)(C)C ZINC000579767067 1117783484 /nfs/dbraw/zinc/78/34/84/1117783484.db2.gz AOVUELUGFPVWQT-WBVHZDCISA-N 2 1 280.500 3.911 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C(C)(C)c1ccccc1 ZINC000671245738 1117785450 /nfs/dbraw/zinc/78/54/50/1117785450.db2.gz MDKNJRJIXRFJAW-UHFFFAOYSA-N 2 1 285.435 3.839 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)C(C)(C)c1ccccc1 ZINC000671245738 1117785454 /nfs/dbraw/zinc/78/54/54/1117785454.db2.gz MDKNJRJIXRFJAW-UHFFFAOYSA-N 2 1 285.435 3.839 20 0 CHADMP C[N@H+]1CCC[C@]2(CC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC000339440075 1117793267 /nfs/dbraw/zinc/79/32/67/1117793267.db2.gz WKMJFDBEFDPPEI-SFHVURJKSA-N 2 1 278.484 3.621 20 0 CHADMP C[NH+]1CCC[C@]2(CC[N@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC000339440075 1117793272 /nfs/dbraw/zinc/79/32/72/1117793272.db2.gz WKMJFDBEFDPPEI-SFHVURJKSA-N 2 1 278.484 3.621 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)c(F)c1 ZINC000643548871 1117799899 /nfs/dbraw/zinc/79/98/99/1117799899.db2.gz WMMYWCXBOVXHFP-AAEUAGOBSA-N 2 1 296.817 3.804 20 0 CHADMP CC[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1F ZINC000643548618 1117799963 /nfs/dbraw/zinc/79/99/63/1117799963.db2.gz RYWAODRKCNPACT-XJKSGUPXSA-N 2 1 276.399 3.541 20 0 CHADMP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623344981 1117837415 /nfs/dbraw/zinc/83/74/15/1117837415.db2.gz LQCMUMNWHWWSAV-HOCLYGCPSA-N 2 1 290.451 3.609 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3)CCC2)CC1(C)C ZINC000623350788 1117839580 /nfs/dbraw/zinc/83/95/80/1117839580.db2.gz SPQRJWXCMGIDDK-QGZVFWFLSA-N 2 1 286.463 3.571 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C2CC2)cc1 ZINC000623352082 1117839690 /nfs/dbraw/zinc/83/96/90/1117839690.db2.gz ONQLTJKRLCQZEU-ROUUACIJSA-N 2 1 286.463 3.909 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623384664 1117846713 /nfs/dbraw/zinc/84/67/13/1117846713.db2.gz CLARFDOECNKVLE-HOTGVXAUSA-N 2 1 260.425 3.600 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccccc2F)CC1(C)C ZINC000623387696 1117848878 /nfs/dbraw/zinc/84/88/78/1117848878.db2.gz QKAOZISAPCJOKH-CQSZACIVSA-N 2 1 292.442 3.566 20 0 CHADMP Cc1ccccc1[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C1CC1 ZINC000623416311 1117853038 /nfs/dbraw/zinc/85/30/38/1117853038.db2.gz QEOOFIATVDQMMT-WMZOPIPTSA-N 2 1 286.463 3.909 20 0 CHADMP Cc1c2ccccc2oc1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623420761 1117853627 /nfs/dbraw/zinc/85/36/27/1117853627.db2.gz OAFPVPHEILUIIJ-AWEZNQCLSA-N 2 1 286.419 3.704 20 0 CHADMP Cc1c2ccccc2oc1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623420761 1117853632 /nfs/dbraw/zinc/85/36/32/1117853632.db2.gz OAFPVPHEILUIIJ-AWEZNQCLSA-N 2 1 286.419 3.704 20 0 CHADMP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623424692 1117854017 /nfs/dbraw/zinc/85/40/17/1117854017.db2.gz ALUNJWSFDZHBJF-ZIAGYGMSSA-N 2 1 254.462 3.664 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[C@H](C)C2 ZINC000623571545 1117874052 /nfs/dbraw/zinc/87/40/52/1117874052.db2.gz ZXIOFKWAGGKQRN-KYJSFNMBSA-N 2 1 286.463 3.691 20 0 CHADMP CC[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(Cl)s1 ZINC000178414604 1117891115 /nfs/dbraw/zinc/89/11/15/1117891115.db2.gz NBIVRJDYMUDBHU-LBPRGKRZSA-N 2 1 286.872 3.928 20 0 CHADMP CC(C)Oc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1 ZINC000179535564 1117907690 /nfs/dbraw/zinc/90/76/90/1117907690.db2.gz YINPIIHMLYDOKZ-DOTOQJQBSA-N 2 1 290.451 3.609 20 0 CHADMP CCOc1ccccc1[C@@H](CC)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000179755650 1117913360 /nfs/dbraw/zinc/91/33/60/1117913360.db2.gz OBBNMZVGWNVCLZ-NVXWUHKLSA-N 2 1 290.451 3.610 20 0 CHADMP CCC[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000180424516 1117929591 /nfs/dbraw/zinc/92/95/91/1117929591.db2.gz AEAIYUVPPROGOL-BHIYHBOVSA-N 2 1 288.479 3.985 20 0 CHADMP CCC[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000180424516 1117929596 /nfs/dbraw/zinc/92/95/96/1117929596.db2.gz AEAIYUVPPROGOL-BHIYHBOVSA-N 2 1 288.479 3.985 20 0 CHADMP CCC[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000180424516 1117929599 /nfs/dbraw/zinc/92/95/99/1117929599.db2.gz AEAIYUVPPROGOL-BHIYHBOVSA-N 2 1 288.479 3.985 20 0 CHADMP CCC[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000180424516 1117929604 /nfs/dbraw/zinc/92/96/04/1117929604.db2.gz AEAIYUVPPROGOL-BHIYHBOVSA-N 2 1 288.479 3.985 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)s1 ZINC000037122952 1117965146 /nfs/dbraw/zinc/96/51/46/1117965146.db2.gz RRVDJKGQNVBCRM-PRTUASRFSA-N 2 1 278.465 3.641 20 0 CHADMP C[C@H](NCCC[N@H+]1CCCC[C@@H]1C)c1ccc(Cl)cn1 ZINC000274974831 1117978976 /nfs/dbraw/zinc/97/89/76/1117978976.db2.gz YLYDZWWJOZTRHD-KBPBESRZSA-N 2 1 295.858 3.650 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000624119846 1117983796 /nfs/dbraw/zinc/98/37/96/1117983796.db2.gz KVUBKYNHKHFSEE-UONOGXRCSA-N 2 1 280.843 3.723 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc2ccccc2o1 ZINC000624120101 1117984753 /nfs/dbraw/zinc/98/47/53/1117984753.db2.gz RJOQOROWNUUUTG-CABCVRRESA-N 2 1 286.419 3.815 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc2ccccc2o1 ZINC000624120101 1117984756 /nfs/dbraw/zinc/98/47/56/1117984756.db2.gz RJOQOROWNUUUTG-CABCVRRESA-N 2 1 286.419 3.815 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000624123076 1117985053 /nfs/dbraw/zinc/98/50/53/1117985053.db2.gz FNNGLJWSOUWZCO-FXUDXRNXSA-N 2 1 292.492 3.562 20 0 CHADMP CCC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000624119413 1117985302 /nfs/dbraw/zinc/98/53/02/1117985302.db2.gz AWTBKMGPSGUCIL-FUHWJXTLSA-N 2 1 274.452 3.849 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(F)cc1F ZINC000624121264 1117986443 /nfs/dbraw/zinc/98/64/43/1117986443.db2.gz RWKGMRXMCOVBDW-SUMWQHHRSA-N 2 1 296.405 3.737 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1F ZINC000624121264 1117986446 /nfs/dbraw/zinc/98/64/46/1117986446.db2.gz RWKGMRXMCOVBDW-SUMWQHHRSA-N 2 1 296.405 3.737 20 0 CHADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(Cl)ccc3F)(C1)CCC2 ZINC001279383884 1118028137 /nfs/dbraw/zinc/02/81/37/1118028137.db2.gz FSOFFBLAFAQRMM-JKSUJKDBSA-N 2 1 296.817 3.634 20 0 CHADMP c1cn(CCC[N@@H+](C2CC2)[C@H]2CCCc3ccccc32)cn1 ZINC000182877961 1118031013 /nfs/dbraw/zinc/03/10/13/1118031013.db2.gz RUXMPIQFJYGGJI-IBGZPJMESA-N 2 1 295.430 3.815 20 0 CHADMP c1csc(C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C2CC2)c1 ZINC000211353782 1118040563 /nfs/dbraw/zinc/04/05/63/1118040563.db2.gz PZWXYJDRKZETGU-UHFFFAOYSA-N 2 1 298.455 3.558 20 0 CHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccoc1 ZINC000183191552 1118040648 /nfs/dbraw/zinc/04/06/48/1118040648.db2.gz YCSOCGXYONDSHA-SOUVJXGZSA-N 2 1 276.424 3.583 20 0 CHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccoc1 ZINC000183191552 1118040653 /nfs/dbraw/zinc/04/06/53/1118040653.db2.gz YCSOCGXYONDSHA-SOUVJXGZSA-N 2 1 276.424 3.583 20 0 CHADMP CCC[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cccnc1 ZINC000184893188 1118058593 /nfs/dbraw/zinc/05/85/93/1118058593.db2.gz BCTPORCEZIEBTN-FUHWJXTLSA-N 2 1 289.467 3.777 20 0 CHADMP CCC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccnc1 ZINC000184893188 1118058598 /nfs/dbraw/zinc/05/85/98/1118058598.db2.gz BCTPORCEZIEBTN-FUHWJXTLSA-N 2 1 289.467 3.777 20 0 CHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C(F)F)cc2)[C@@H]1CC[NH3+] ZINC000404427245 1118064460 /nfs/dbraw/zinc/06/44/60/1118064460.db2.gz MHCASCPKTIOYDF-IUODEOHRSA-N 2 1 282.378 3.574 20 0 CHADMP CC(C)C[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398145548 1118088406 /nfs/dbraw/zinc/08/84/06/1118088406.db2.gz XLXWDAIRXWEVPS-AOIWGVFYSA-N 2 1 288.479 3.921 20 0 CHADMP CC(C)C[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398145548 1118088411 /nfs/dbraw/zinc/08/84/11/1118088411.db2.gz XLXWDAIRXWEVPS-AOIWGVFYSA-N 2 1 288.479 3.921 20 0 CHADMP Cc1occc1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000340175589 1118099718 /nfs/dbraw/zinc/09/97/18/1118099718.db2.gz YGVORELWSDHVTE-UHFFFAOYSA-N 2 1 298.430 3.864 20 0 CHADMP C[C@H](CSC(C)(C)C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000764635089 1118104091 /nfs/dbraw/zinc/10/40/91/1118104091.db2.gz ISWJGYKHSRJVET-CABCVRRESA-N 2 1 286.529 3.761 20 0 CHADMP CC(C)(C[NH2+]C1CCCCCC1)[NH+]1CCCCC1 ZINC000236727629 1118115698 /nfs/dbraw/zinc/11/56/98/1118115698.db2.gz ZWTLWTRNKYAGRR-UHFFFAOYSA-N 2 1 252.446 3.563 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000340232329 1118118005 /nfs/dbraw/zinc/11/80/05/1118118005.db2.gz RYDCSHORZIMGCJ-DOTOQJQBSA-N 2 1 289.467 3.920 20 0 CHADMP CC(C)[C@@H](C[NH2+][C@H](C)CSC(C)(C)C)[NH+]1CCCC1 ZINC000764839276 1118120835 /nfs/dbraw/zinc/12/08/35/1118120835.db2.gz AOWXKDSGKNGLJM-HUUCEWRRSA-N 2 1 286.529 3.617 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CCCCCCC2)[C@@H](C)C1 ZINC000765238119 1118139619 /nfs/dbraw/zinc/13/96/19/1118139619.db2.gz DSANCAKLBPRZSO-DOTOQJQBSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2C(C)(C)C)CC[N@H+]1C ZINC000765386624 1118148477 /nfs/dbraw/zinc/14/84/77/1118148477.db2.gz UDHFANXWLWEGRS-TWMKSMIVSA-N 2 1 280.500 3.911 20 0 CHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CCCCCC2)C1 ZINC000237494587 1118148845 /nfs/dbraw/zinc/14/88/45/1118148845.db2.gz AHNKFNRPMXDNDC-INIZCTEOSA-N 2 1 266.473 3.811 20 0 CHADMP C[NH+](C)CCC[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000040222809 1118150724 /nfs/dbraw/zinc/15/07/24/1118150724.db2.gz HOQJSBVPPHFGMM-UHFFFAOYSA-N 2 1 292.423 3.596 20 0 CHADMP CC(C)Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000094896221 1118153043 /nfs/dbraw/zinc/15/30/43/1118153043.db2.gz ZDZPHZSGTCNJRC-LJQANCHMSA-N 2 1 288.479 3.705 20 0 CHADMP CC[N@H+](CC[NH2+][C@H]1CCCC(C)(C)CC1)C(C)C ZINC001649038643 1118156512 /nfs/dbraw/zinc/15/65/12/1118156512.db2.gz QMVNOZNKAMYGJQ-HNNXBMFYSA-N 2 1 254.462 3.665 20 0 CHADMP CC[N@@H+](CC[NH2+][C@H]1CCCC(C)(C)CC1)C(C)C ZINC001649038643 1118156515 /nfs/dbraw/zinc/15/65/15/1118156515.db2.gz QMVNOZNKAMYGJQ-HNNXBMFYSA-N 2 1 254.462 3.665 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000129343541 1118156802 /nfs/dbraw/zinc/15/68/02/1118156802.db2.gz DULUREKXFCZWKT-INIZCTEOSA-N 2 1 278.484 3.809 20 0 CHADMP CCCC[N@H+](C)c1ccc(N[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000179831257 1128761475 /nfs/dbraw/zinc/76/14/75/1128761475.db2.gz ABQRRBRWZNPOPL-WBVHZDCISA-N 2 1 289.467 3.818 20 0 CHADMP CCCC[N@@H+](C)c1ccc(N[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000179831257 1128761480 /nfs/dbraw/zinc/76/14/80/1128761480.db2.gz ABQRRBRWZNPOPL-WBVHZDCISA-N 2 1 289.467 3.818 20 0 CHADMP CCCC[NH+](C)c1ccc(N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000179831257 1128761482 /nfs/dbraw/zinc/76/14/82/1128761482.db2.gz ABQRRBRWZNPOPL-WBVHZDCISA-N 2 1 289.467 3.818 20 0 CHADMP CCCC[NH+](C)c1ccc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000179831257 1128761486 /nfs/dbraw/zinc/76/14/86/1128761486.db2.gz ABQRRBRWZNPOPL-WBVHZDCISA-N 2 1 289.467 3.818 20 0 CHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(C)o2)C2CCC2)C1 ZINC000542665213 1118196564 /nfs/dbraw/zinc/19/65/64/1118196564.db2.gz GPWRZGCAWUIABD-YJBOKZPZSA-N 2 1 290.451 3.751 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(C)o2)C2CCC2)C1 ZINC000542665213 1118196565 /nfs/dbraw/zinc/19/65/65/1118196565.db2.gz GPWRZGCAWUIABD-YJBOKZPZSA-N 2 1 290.451 3.751 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCC=CO2)cc1 ZINC000188581282 1128763211 /nfs/dbraw/zinc/76/32/11/1128763211.db2.gz XFBHZQNVKMQPAL-KSSFIOAISA-N 2 1 297.402 3.524 20 0 CHADMP CC[C@@H](C)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001167322145 1118284173 /nfs/dbraw/zinc/28/41/73/1118284173.db2.gz QNTGNWXUZIDPOK-IAGOWNOFSA-N 2 1 266.473 3.621 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000128861234 1118284493 /nfs/dbraw/zinc/28/44/93/1118284493.db2.gz FIAKCQWHIOWZCK-ZYHUDNBSSA-N 2 1 287.234 3.786 20 0 CHADMP C[C@@H]1CC[N@H+](Cc2c3ccccc3[nH]c2C(C)(C)C)CC[NH2+]1 ZINC001210473207 1118293893 /nfs/dbraw/zinc/29/38/93/1118293893.db2.gz BSOVWHGABZYYIF-CQSZACIVSA-N 2 1 299.462 3.649 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2c3ccccc3[nH]c2C(C)(C)C)CC[NH2+]1 ZINC001210473207 1118293898 /nfs/dbraw/zinc/29/38/98/1118293898.db2.gz BSOVWHGABZYYIF-CQSZACIVSA-N 2 1 299.462 3.649 20 0 CHADMP Cc1scc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1C ZINC000399855135 1118333499 /nfs/dbraw/zinc/33/34/99/1118333499.db2.gz MKJBCZRADAXPOS-CVEARBPZSA-N 2 1 272.417 3.599 20 0 CHADMP CCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000539123384 1118340201 /nfs/dbraw/zinc/34/02/01/1118340201.db2.gz JGTJEOPQMXFVCE-FUHWJXTLSA-N 2 1 286.463 3.677 20 0 CHADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000539123384 1118340206 /nfs/dbraw/zinc/34/02/06/1118340206.db2.gz JGTJEOPQMXFVCE-FUHWJXTLSA-N 2 1 286.463 3.677 20 0 CHADMP CCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000539123383 1118340296 /nfs/dbraw/zinc/34/02/96/1118340296.db2.gz JGTJEOPQMXFVCE-AEFFLSMTSA-N 2 1 286.463 3.677 20 0 CHADMP CCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000539123383 1118340299 /nfs/dbraw/zinc/34/02/99/1118340299.db2.gz JGTJEOPQMXFVCE-AEFFLSMTSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719758 1118375275 /nfs/dbraw/zinc/37/52/75/1118375275.db2.gz OAPNNWKCFSHYIT-DLBZAZTESA-N 2 1 272.436 3.555 20 0 CHADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC000261958200 1118383796 /nfs/dbraw/zinc/38/37/96/1118383796.db2.gz OGWHCHYOWQSTPB-QGZVFWFLSA-N 2 1 296.414 3.520 20 0 CHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC000261958200 1118383803 /nfs/dbraw/zinc/38/38/03/1118383803.db2.gz OGWHCHYOWQSTPB-QGZVFWFLSA-N 2 1 296.414 3.520 20 0 CHADMP Fc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000580228253 1118405040 /nfs/dbraw/zinc/40/50/40/1118405040.db2.gz WDVLOZWKHJJUPB-UHFFFAOYSA-N 2 1 290.426 3.712 20 0 CHADMP Cc1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)oc1C ZINC001204534237 1118427423 /nfs/dbraw/zinc/42/74/23/1118427423.db2.gz WUNVZWPBHWMRFJ-IRXDYDNUSA-N 2 1 290.451 3.735 20 0 CHADMP Cc1cc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)oc1C ZINC001204534237 1118427425 /nfs/dbraw/zinc/42/74/25/1118427425.db2.gz WUNVZWPBHWMRFJ-IRXDYDNUSA-N 2 1 290.451 3.735 20 0 CHADMP Cc1cc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)oc1C ZINC001204534237 1118427426 /nfs/dbraw/zinc/42/74/26/1118427426.db2.gz WUNVZWPBHWMRFJ-IRXDYDNUSA-N 2 1 290.451 3.735 20 0 CHADMP C[C@]1(C[NH2+][C@@H]2CCCC23CC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000706528271 1118427753 /nfs/dbraw/zinc/42/77/53/1118427753.db2.gz HFPXDVYRFOYJQI-RTBURBONSA-N 2 1 298.474 3.821 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683927560 1118447332 /nfs/dbraw/zinc/44/73/32/1118447332.db2.gz LHWWOCJRNQXPLI-MRXNPFEDSA-N 2 1 299.462 3.912 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCCCC1 ZINC000398229209 1118503038 /nfs/dbraw/zinc/50/30/38/1118503038.db2.gz WDAONCOYSXIIBC-APWZRJJASA-N 2 1 286.463 3.819 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCCCC1 ZINC000398229209 1118503040 /nfs/dbraw/zinc/50/30/40/1118503040.db2.gz WDAONCOYSXIIBC-APWZRJJASA-N 2 1 286.463 3.819 20 0 CHADMP CC1(C)CCC[C@@H]([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000398298990 1118517607 /nfs/dbraw/zinc/51/76/07/1118517607.db2.gz LFNKBFNKYWCYKI-YRXWBPOGSA-N 2 1 298.474 3.675 20 0 CHADMP CC1(C)CCC[C@@H]([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000398298990 1118517609 /nfs/dbraw/zinc/51/76/09/1118517609.db2.gz LFNKBFNKYWCYKI-YRXWBPOGSA-N 2 1 298.474 3.675 20 0 CHADMP CC(C)C1CCC([NH2+]CC[NH+](C(C)C)C(C)C)CC1 ZINC000109749835 1118580814 /nfs/dbraw/zinc/58/08/14/1118580814.db2.gz IEWCNNNUCDZSHY-UHFFFAOYSA-N 2 1 268.489 3.910 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc3ccccc3c2)CC1 ZINC000091870929 1118582170 /nfs/dbraw/zinc/58/21/70/1118582170.db2.gz OWBZSLPAMIBBAB-UHFFFAOYSA-N 2 1 282.431 3.802 20 0 CHADMP CCc1ccccc1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000109916573 1118587402 /nfs/dbraw/zinc/58/74/02/1118587402.db2.gz CJGRZUNMDNHHPT-UHFFFAOYSA-N 2 1 288.479 3.993 20 0 CHADMP CC(C)C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000341036120 1118591739 /nfs/dbraw/zinc/59/17/39/1118591739.db2.gz ITISMTWGLKPGES-MSOLQXFVSA-N 2 1 274.452 3.848 20 0 CHADMP Clc1ccsc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656783066 1118654667 /nfs/dbraw/zinc/65/46/67/1118654667.db2.gz NQAXFWBWJPUVNR-ZDUSSCGKSA-N 2 1 298.883 3.613 20 0 CHADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc(C3CCCC3)c2)C1 ZINC000656786087 1118656572 /nfs/dbraw/zinc/65/65/72/1118656572.db2.gz KKRKOMCGHDUXBM-SFHVURJKSA-N 2 1 272.436 3.515 20 0 CHADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(C2CCCC2)c1 ZINC000656784541 1118656780 /nfs/dbraw/zinc/65/67/80/1118656780.db2.gz BVTCHJFPAHJASF-KSSFIOAISA-N 2 1 272.436 3.656 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(C)s1 ZINC000656786973 1118658869 /nfs/dbraw/zinc/65/88/69/1118658869.db2.gz YSTGNDVGFDBIPX-INIZCTEOSA-N 2 1 292.492 3.577 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000723617956 1118670132 /nfs/dbraw/zinc/67/01/32/1118670132.db2.gz BEFQVRDZVZAYJI-YESZJQIVSA-N 2 1 275.440 3.530 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723699036 1118708643 /nfs/dbraw/zinc/70/86/43/1118708643.db2.gz LZEHRAGSGPEPAE-HUUCEWRRSA-N 2 1 268.404 3.572 20 0 CHADMP C[C@@H](C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000157084530 1118725921 /nfs/dbraw/zinc/72/59/21/1118725921.db2.gz ZQSCIXLAENBPKK-HKUYNNGSSA-N 2 1 286.463 3.740 20 0 CHADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000129021255 1118752517 /nfs/dbraw/zinc/75/25/17/1118752517.db2.gz ZEXOKJBPLQKHCH-HNAYVOBHSA-N 2 1 280.415 3.665 20 0 CHADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000131628904 1118761779 /nfs/dbraw/zinc/76/17/79/1118761779.db2.gz GEKLZVNQBKDHPD-QLFBSQMISA-N 2 1 268.404 3.570 20 0 CHADMP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000430749212 1118766862 /nfs/dbraw/zinc/76/68/62/1118766862.db2.gz INBHRYFWIRPGGD-LCWAXJCOSA-N 2 1 298.474 3.675 20 0 CHADMP CC[C@H](C)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001167503514 1118943387 /nfs/dbraw/zinc/94/33/87/1118943387.db2.gz AUOBAZKPIKYWKF-LNLFQRSKSA-N 2 1 288.479 3.875 20 0 CHADMP CC[C@H](C)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001167503514 1118943391 /nfs/dbraw/zinc/94/33/91/1118943391.db2.gz AUOBAZKPIKYWKF-LNLFQRSKSA-N 2 1 288.479 3.875 20 0 CHADMP C[N@@H+](C1CCC(C(C)(C)C)CC1)[C@H]1CCC[NH2+]CC1 ZINC000226450389 1118971480 /nfs/dbraw/zinc/97/14/80/1118971480.db2.gz MRBCYXUJHHFHQH-PCKAHOCUSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@H](F)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000375667756 1119012677 /nfs/dbraw/zinc/01/26/77/1119012677.db2.gz YSHDHTIGMKPDHS-DOTOQJQBSA-N 2 1 292.442 3.625 20 0 CHADMP C[C@H](F)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000375667756 1119012682 /nfs/dbraw/zinc/01/26/82/1119012682.db2.gz YSHDHTIGMKPDHS-DOTOQJQBSA-N 2 1 292.442 3.625 20 0 CHADMP CC[C@H](C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21)c1ccccc1 ZINC000582115070 1119014646 /nfs/dbraw/zinc/01/46/46/1119014646.db2.gz WDJAFCHOAFSJAU-QRQLOZEOSA-N 2 1 286.463 3.596 20 0 CHADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000261605694 1119064203 /nfs/dbraw/zinc/06/42/03/1119064203.db2.gz CUWJMQYZQVHNHD-LJQANCHMSA-N 2 1 280.415 3.524 20 0 CHADMP C[N@H+](Cc1csc2ccccc12)C[C@@H]1CCC[NH+](C)C1 ZINC000342556648 1119082023 /nfs/dbraw/zinc/08/20/23/1119082023.db2.gz UGPZNUQCRNDQIG-CQSZACIVSA-N 2 1 288.460 3.675 20 0 CHADMP C[NH+](Cc1csc2ccccc12)C[C@@H]1CCC[N@H+](C)C1 ZINC000342556648 1119082027 /nfs/dbraw/zinc/08/20/27/1119082027.db2.gz UGPZNUQCRNDQIG-CQSZACIVSA-N 2 1 288.460 3.675 20 0 CHADMP C[NH+](Cc1csc2ccccc12)C[C@@H]1CCC[N@@H+](C)C1 ZINC000342556648 1119082030 /nfs/dbraw/zinc/08/20/30/1119082030.db2.gz UGPZNUQCRNDQIG-CQSZACIVSA-N 2 1 288.460 3.675 20 0 CHADMP Cc1ccc([C@H](C)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000628190951 1128824039 /nfs/dbraw/zinc/82/40/39/1128824039.db2.gz VPYNNEGENMZAIL-QRQLOZEOSA-N 2 1 286.463 3.515 20 0 CHADMP Cc1ccc([C@H](C)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000628190951 1128824042 /nfs/dbraw/zinc/82/40/42/1128824042.db2.gz VPYNNEGENMZAIL-QRQLOZEOSA-N 2 1 286.463 3.515 20 0 CHADMP Cc1ccc([C@H](C)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000628190951 1128824044 /nfs/dbraw/zinc/82/40/44/1128824044.db2.gz VPYNNEGENMZAIL-QRQLOZEOSA-N 2 1 286.463 3.515 20 0 CHADMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)C1CC(F)(F)C1 ZINC000628200623 1128827266 /nfs/dbraw/zinc/82/72/66/1128827266.db2.gz USPYULLACVPAFB-AWEZNQCLSA-N 2 1 296.405 3.532 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000342860576 1119215452 /nfs/dbraw/zinc/21/54/52/1119215452.db2.gz PIRIBHPYPXFYNW-VQIMIIECSA-N 2 1 297.446 3.707 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000342860576 1119215453 /nfs/dbraw/zinc/21/54/53/1119215453.db2.gz PIRIBHPYPXFYNW-VQIMIIECSA-N 2 1 297.446 3.707 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000125871990 1119240820 /nfs/dbraw/zinc/24/08/20/1119240820.db2.gz GNRAGLSMTBIWCM-RDTXWAMCSA-N 2 1 290.426 3.523 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000125872216 1119241178 /nfs/dbraw/zinc/24/11/78/1119241178.db2.gz GNRAGLSMTBIWCM-KBXCAEBGSA-N 2 1 290.426 3.523 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CC=CC2)cc1 ZINC000122056248 1119273585 /nfs/dbraw/zinc/27/35/85/1119273585.db2.gz KZRFPMNXTHTUDD-ZDUSSCGKSA-N 2 1 267.376 3.550 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000343090270 1119307116 /nfs/dbraw/zinc/30/71/16/1119307116.db2.gz DPSOSMPNGOVSSV-NEWSRXKRSA-N 2 1 286.463 3.644 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc2cnccc2c1 ZINC000319025408 1119317150 /nfs/dbraw/zinc/31/71/50/1119317150.db2.gz FKYWULDOUKWNKS-INIZCTEOSA-N 2 1 297.446 3.589 20 0 CHADMP c1sc2ccccc2c1C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001140639649 1119340176 /nfs/dbraw/zinc/34/01/76/1119340176.db2.gz LKYCWJJDFKCWLR-UHFFFAOYSA-N 2 1 286.444 3.571 20 0 CHADMP Cc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Cl)c1 ZINC000375739052 1119355185 /nfs/dbraw/zinc/35/51/85/1119355185.db2.gz WLSFDTXOAUYGAY-XYPWUTKMSA-N 2 1 292.854 3.705 20 0 CHADMP Cc1cccc2c1cc[nH+]c2N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000583500430 1119368930 /nfs/dbraw/zinc/36/89/30/1119368930.db2.gz WOTUEHGNTSDZBC-GOSISDBHSA-N 2 1 295.430 3.512 20 0 CHADMP C[C@@H](NCC[N@@H+]1CC[C@H](C)C1)c1cccc(C2CC2)c1 ZINC000583645429 1119390562 /nfs/dbraw/zinc/39/05/62/1119390562.db2.gz WJJPJZNTHDHTNJ-LSDHHAIUSA-N 2 1 272.436 3.556 20 0 CHADMP C[C@@H](NCC[N@H+]1CC[C@H](C)C1)c1cccc(C2CC2)c1 ZINC000583645429 1119390563 /nfs/dbraw/zinc/39/05/63/1119390563.db2.gz WJJPJZNTHDHTNJ-LSDHHAIUSA-N 2 1 272.436 3.556 20 0 CHADMP C[N@H+]1CC[C@@H](Nc2ccc3c[nH+]ccc3c2)CC1(C)C ZINC000628304831 1128843776 /nfs/dbraw/zinc/84/37/76/1128843776.db2.gz WPWFSEURRBIAMY-MRXNPFEDSA-N 2 1 269.392 3.520 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC000151131031 1119409264 /nfs/dbraw/zinc/40/92/64/1119409264.db2.gz QJWYENWLEKEFIT-DLBZAZTESA-N 2 1 274.452 3.720 20 0 CHADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)[NH+](C)C ZINC000250378977 1119422494 /nfs/dbraw/zinc/42/24/94/1119422494.db2.gz DEERBOKTEFKDEY-DIECFANBSA-N 2 1 268.489 3.767 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C(C)(C)C(F)F ZINC000657838462 1119495961 /nfs/dbraw/zinc/49/59/61/1119495961.db2.gz UHWBVNCLMCNVKZ-KBPBESRZSA-N 2 1 290.442 3.910 20 0 CHADMP C[C@@H]1CCC[NH+]1Cc1ccccc1C[N@@H+]1CCC[C@H]1C ZINC000343748995 1119501869 /nfs/dbraw/zinc/50/18/69/1119501869.db2.gz XOPXXMHPWVDITH-HZPDHXFCSA-N 2 1 272.436 3.655 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCCC23CC3)C1 ZINC000657838923 1119503203 /nfs/dbraw/zinc/50/32/03/1119503203.db2.gz HOZWTGMWAPOQJK-IXDOHACOSA-N 2 1 278.484 3.667 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CCC1CCCCCC1 ZINC000584437021 1119545976 /nfs/dbraw/zinc/54/59/76/1119545976.db2.gz MWWXJWMPNUWPMZ-OAHLLOKOSA-N 2 1 277.456 3.778 20 0 CHADMP CCC1(C)CCC([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000685455719 1119610992 /nfs/dbraw/zinc/61/09/92/1119610992.db2.gz TXYPBLDYXBHGRS-GTPINHCMSA-N 2 1 266.473 3.665 20 0 CHADMP CC[NH+](CC)CCC[N@H+](CC)Cc1nccc2ccccc21 ZINC000685459669 1119612622 /nfs/dbraw/zinc/61/26/22/1119612622.db2.gz OIYVTLREEVLUAC-UHFFFAOYSA-N 2 1 299.462 3.789 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1nccc2ccccc21 ZINC000685459669 1119612624 /nfs/dbraw/zinc/61/26/24/1119612624.db2.gz OIYVTLREEVLUAC-UHFFFAOYSA-N 2 1 299.462 3.789 20 0 CHADMP CC[NH+](CC)CCC[N@H+](CC)Cc1cc2ccccc2[nH]1 ZINC000685459619 1119612827 /nfs/dbraw/zinc/61/28/27/1119612827.db2.gz JJOQVMDBDZDNKO-UHFFFAOYSA-N 2 1 287.451 3.722 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1cc2ccccc2[nH]1 ZINC000685459619 1119612830 /nfs/dbraw/zinc/61/28/30/1119612830.db2.gz JJOQVMDBDZDNKO-UHFFFAOYSA-N 2 1 287.451 3.722 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(C)C ZINC000165322257 1119627736 /nfs/dbraw/zinc/62/77/36/1119627736.db2.gz KPPGEGUESRUZFD-RBUKOAKNSA-N 2 1 288.479 3.575 20 0 CHADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000223071818 1119654949 /nfs/dbraw/zinc/65/49/49/1119654949.db2.gz QLYDNDKIAQUFRD-KGLIPLIRSA-N 2 1 282.859 3.591 20 0 CHADMP CC(C)(C)CC[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309722380 1119657414 /nfs/dbraw/zinc/65/74/14/1119657414.db2.gz MOJVOZVDRYEVFB-IBGZPJMESA-N 2 1 288.479 3.924 20 0 CHADMP C[C@@H](CCc1ccco1)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658226167 1119705649 /nfs/dbraw/zinc/70/56/49/1119705649.db2.gz GUGDBZRHHZNLMJ-HOTGVXAUSA-N 2 1 290.451 3.597 20 0 CHADMP C[C@@H](CCc1ccco1)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658226167 1119705653 /nfs/dbraw/zinc/70/56/53/1119705653.db2.gz GUGDBZRHHZNLMJ-HOTGVXAUSA-N 2 1 290.451 3.597 20 0 CHADMP C[C@@H](CCc1ccco1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658226169 1119706423 /nfs/dbraw/zinc/70/64/23/1119706423.db2.gz GUGDBZRHHZNLMJ-JKSUJKDBSA-N 2 1 290.451 3.597 20 0 CHADMP C[C@@H](CCc1ccco1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658226169 1119706426 /nfs/dbraw/zinc/70/64/26/1119706426.db2.gz GUGDBZRHHZNLMJ-JKSUJKDBSA-N 2 1 290.451 3.597 20 0 CHADMP Cc1ccc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)nc1 ZINC000343820133 1119778468 /nfs/dbraw/zinc/77/84/68/1119778468.db2.gz VKZBOFBNYNCIAA-UHFFFAOYSA-N 2 1 297.446 3.520 20 0 CHADMP CC[C@@H]1CCCC[C@H]1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000628272946 1119781245 /nfs/dbraw/zinc/78/12/45/1119781245.db2.gz CTRDCPJREGYRCV-WXCOAYGQSA-N 2 1 278.484 3.760 20 0 CHADMP CC[C@@H]1CCCC[C@H]1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000628272946 1119781248 /nfs/dbraw/zinc/78/12/48/1119781248.db2.gz CTRDCPJREGYRCV-WXCOAYGQSA-N 2 1 278.484 3.760 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccccc2Cl)C[C@H]1C ZINC000531140607 1119802530 /nfs/dbraw/zinc/80/25/30/1119802530.db2.gz DKIUCFMUTWDKLI-ZBFHGGJFSA-N 2 1 294.870 3.687 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccccc2Cl)C[C@H]1C ZINC000531140607 1119802533 /nfs/dbraw/zinc/80/25/33/1119802533.db2.gz DKIUCFMUTWDKLI-ZBFHGGJFSA-N 2 1 294.870 3.687 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC000376006397 1119807400 /nfs/dbraw/zinc/80/74/00/1119807400.db2.gz JCVPKKCBBHZRMY-QIJZBDPFSA-N 2 1 292.854 3.658 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)CC[N@H+]1C ZINC000376006397 1119807404 /nfs/dbraw/zinc/80/74/04/1119807404.db2.gz JCVPKKCBBHZRMY-QIJZBDPFSA-N 2 1 292.854 3.658 20 0 CHADMP CC1(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000309812191 1119837500 /nfs/dbraw/zinc/83/75/00/1119837500.db2.gz WUGPOQNYQSDHFE-SFHVURJKSA-N 2 1 286.463 3.678 20 0 CHADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000647498936 1119851064 /nfs/dbraw/zinc/85/10/64/1119851064.db2.gz UINCCRUZXXXDIM-BBRMVZONSA-N 2 1 286.419 3.554 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@@H]2C[C@H]2C)c1 ZINC000414061711 1119875778 /nfs/dbraw/zinc/87/57/78/1119875778.db2.gz AVNLBMYIKWTCSF-IIDMSEBBSA-N 2 1 274.452 3.661 20 0 CHADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000414172337 1119926065 /nfs/dbraw/zinc/92/60/65/1119926065.db2.gz DXAUZFYJQOABOW-HIFRSBDPSA-N 2 1 266.454 3.521 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000414181136 1119928579 /nfs/dbraw/zinc/92/85/79/1119928579.db2.gz LVKMMOGDDKMWET-VKJFTORMSA-N 2 1 272.436 3.556 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc2ccccc2n1 ZINC000414189808 1119932772 /nfs/dbraw/zinc/93/27/72/1119932772.db2.gz RJSOUNXUIMXFTR-HOTGVXAUSA-N 2 1 297.446 3.617 20 0 CHADMP CSc1ccccc1[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414190099 1119932911 /nfs/dbraw/zinc/93/29/11/1119932911.db2.gz RGJDRXBREOAXFM-LSDHHAIUSA-N 2 1 292.492 3.791 20 0 CHADMP CSc1ccccc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414190097 1119932965 /nfs/dbraw/zinc/93/29/65/1119932965.db2.gz RGJDRXBREOAXFM-HUUCEWRRSA-N 2 1 292.492 3.791 20 0 CHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000414196849 1119934329 /nfs/dbraw/zinc/93/43/29/1119934329.db2.gz VLDSCUZMTSLWML-KSSFIOAISA-N 2 1 290.426 3.525 20 0 CHADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(C)c1 ZINC000414202507 1119936440 /nfs/dbraw/zinc/93/64/40/1119936440.db2.gz YWUCQRDQTBPMFG-WMZOPIPTSA-N 2 1 274.452 3.768 20 0 CHADMP Cc1ccc([C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C2CCC2)o1 ZINC000414202005 1119936774 /nfs/dbraw/zinc/93/67/74/1119936774.db2.gz YLIMKQANMUQKTO-CRAIPNDOSA-N 2 1 290.451 3.751 20 0 CHADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc12 ZINC000414208743 1119939189 /nfs/dbraw/zinc/93/91/89/1119939189.db2.gz JDZOKMYTUGBUQE-ZWKOTPCHSA-N 2 1 294.442 3.865 20 0 CHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCCC[C@H]3F)CC2)C1 ZINC000414284172 1119965637 /nfs/dbraw/zinc/96/56/37/1119965637.db2.gz KFOJGPAINFVRAG-VDHUWJSZSA-N 2 1 296.474 3.900 20 0 CHADMP Cc1cc(C)c(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1C ZINC000472599695 1120001485 /nfs/dbraw/zinc/00/14/85/1120001485.db2.gz NZQIJXAKIOAOIS-UHFFFAOYSA-N 2 1 286.463 3.672 20 0 CHADMP c1c2ccccc2oc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543981 1120004766 /nfs/dbraw/zinc/00/47/66/1120004766.db2.gz VFDKXURMVRPPJN-DLBZAZTESA-N 2 1 298.430 3.644 20 0 CHADMP c1c2ccccc2oc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543984 1120006017 /nfs/dbraw/zinc/00/60/17/1120006017.db2.gz VFDKXURMVRPPJN-SJORKVTESA-N 2 1 298.430 3.644 20 0 CHADMP [NH3+]Cc1ccc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)cc1 ZINC000708866820 1120040274 /nfs/dbraw/zinc/04/02/74/1120040274.db2.gz IZWXCXKWHRVPRV-GOSISDBHSA-N 2 1 272.436 3.548 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000204973750 1120063017 /nfs/dbraw/zinc/06/30/17/1120063017.db2.gz PYNWHOMNBXDSEH-SFHVURJKSA-N 2 1 297.446 3.619 20 0 CHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000623657250 1120065538 /nfs/dbraw/zinc/06/55/38/1120065538.db2.gz MDZVGOSYJRDORU-BHIYHBOVSA-N 2 1 286.463 3.644 20 0 CHADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623657759 1120065569 /nfs/dbraw/zinc/06/55/69/1120065569.db2.gz YGQHFTCKSTXLPU-GOEBONIOSA-N 2 1 294.870 3.593 20 0 CHADMP C[NH+](C)CCC[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000151963468 1120094067 /nfs/dbraw/zinc/09/40/67/1120094067.db2.gz VKZNVQPSDVBJBK-ZDUSSCGKSA-N 2 1 287.234 3.522 20 0 CHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C/C=C/Cl)CC1 ZINC000903443760 1120107725 /nfs/dbraw/zinc/10/77/25/1120107725.db2.gz KOIFKPAQNLKLOJ-LFYBBSHMSA-N 2 1 292.854 3.772 20 0 CHADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c(Cl)c1 ZINC000715550625 1120110883 /nfs/dbraw/zinc/11/08/83/1120110883.db2.gz BWPUDCMXWUTUDV-CABCVRRESA-N 2 1 280.843 3.611 20 0 CHADMP CCC[C@@H](C)[NH+](C)C/C=C\C[N@H+](C)[C@@H](C)CCC ZINC000613639511 1120137339 /nfs/dbraw/zinc/13/73/39/1120137339.db2.gz IMKXDEMMJGTGHP-YQYKAEFUSA-N 2 1 254.462 3.783 20 0 CHADMP CCC[C@@H](C)[N@@H+](C)C/C=C\C[NH+](C)[C@@H](C)CCC ZINC000613639511 1120137341 /nfs/dbraw/zinc/13/73/41/1120137341.db2.gz IMKXDEMMJGTGHP-YQYKAEFUSA-N 2 1 254.462 3.783 20 0 CHADMP CCC[C@@H](C)[N@H+](C)C/C=C\C[NH+](C)[C@@H](C)CCC ZINC000613639511 1120137343 /nfs/dbraw/zinc/13/73/43/1120137343.db2.gz IMKXDEMMJGTGHP-YQYKAEFUSA-N 2 1 254.462 3.783 20 0 CHADMP C[C@@H](C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000472666160 1120137700 /nfs/dbraw/zinc/13/77/00/1120137700.db2.gz LAEHAJZGBHVBBQ-WMZOPIPTSA-N 2 1 274.452 3.596 20 0 CHADMP C[C@@H](C[NH+](C)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000472666160 1120137702 /nfs/dbraw/zinc/13/77/02/1120137702.db2.gz LAEHAJZGBHVBBQ-WMZOPIPTSA-N 2 1 274.452 3.596 20 0 CHADMP Cc1ccccc1[C@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000472668556 1120139197 /nfs/dbraw/zinc/13/91/97/1120139197.db2.gz GWDNTMDAEFKDFM-ZWKOTPCHSA-N 2 1 286.463 3.659 20 0 CHADMP Cc1ccccc1[C@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000472668556 1120139199 /nfs/dbraw/zinc/13/91/99/1120139199.db2.gz GWDNTMDAEFKDFM-ZWKOTPCHSA-N 2 1 286.463 3.659 20 0 CHADMP Cc1ccccc1[C@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000472668556 1120139202 /nfs/dbraw/zinc/13/92/02/1120139202.db2.gz GWDNTMDAEFKDFM-ZWKOTPCHSA-N 2 1 286.463 3.659 20 0 CHADMP CC(C)[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000472736182 1120156892 /nfs/dbraw/zinc/15/68/92/1120156892.db2.gz NCNGKKRHBRXQHY-SJORKVTESA-N 2 1 266.473 3.619 20 0 CHADMP CC(C)[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000472736182 1120156895 /nfs/dbraw/zinc/15/68/95/1120156895.db2.gz NCNGKKRHBRXQHY-SJORKVTESA-N 2 1 266.473 3.619 20 0 CHADMP Cc1ccc(-c2ccc(C[NH2+]C[C@H]3CCC[N@@H+](C)C3)o2)cc1 ZINC000108428033 1120157747 /nfs/dbraw/zinc/15/77/47/1120157747.db2.gz XTLOQFCRSLMFFQ-MRXNPFEDSA-N 2 1 298.430 3.686 20 0 CHADMP Cc1ccc(-c2ccc(C[NH2+]C[C@H]3CCC[N@H+](C)C3)o2)cc1 ZINC000108428033 1120157750 /nfs/dbraw/zinc/15/77/50/1120157750.db2.gz XTLOQFCRSLMFFQ-MRXNPFEDSA-N 2 1 298.430 3.686 20 0 CHADMP C[C@@H](c1ccc(F)cc1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000472763748 1120164734 /nfs/dbraw/zinc/16/47/34/1120164734.db2.gz NIBZMXJGWWIEQP-YOEHRIQHSA-N 2 1 278.415 3.693 20 0 CHADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000472763748 1120164737 /nfs/dbraw/zinc/16/47/37/1120164737.db2.gz NIBZMXJGWWIEQP-YOEHRIQHSA-N 2 1 278.415 3.693 20 0 CHADMP C[C@@H](c1ccc(F)cc1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000472763748 1120164740 /nfs/dbraw/zinc/16/47/40/1120164740.db2.gz NIBZMXJGWWIEQP-YOEHRIQHSA-N 2 1 278.415 3.693 20 0 CHADMP C[C@@H](c1ccc(F)cc1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000472763748 1120164741 /nfs/dbraw/zinc/16/47/41/1120164741.db2.gz NIBZMXJGWWIEQP-YOEHRIQHSA-N 2 1 278.415 3.693 20 0 CHADMP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000472851298 1120210558 /nfs/dbraw/zinc/21/05/58/1120210558.db2.gz CUPDJWVRIFNYDI-DZGCQCFKSA-N 2 1 296.405 3.832 20 0 CHADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000472851298 1120210561 /nfs/dbraw/zinc/21/05/61/1120210561.db2.gz CUPDJWVRIFNYDI-DZGCQCFKSA-N 2 1 296.405 3.832 20 0 CHADMP C[C@@H](c1ccc(F)c(F)c1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000472851298 1120210563 /nfs/dbraw/zinc/21/05/63/1120210563.db2.gz CUPDJWVRIFNYDI-DZGCQCFKSA-N 2 1 296.405 3.832 20 0 CHADMP C[C@@H](c1ccc(F)c(F)c1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000472851298 1120210564 /nfs/dbraw/zinc/21/05/64/1120210564.db2.gz CUPDJWVRIFNYDI-DZGCQCFKSA-N 2 1 296.405 3.832 20 0 CHADMP CC[C@H](C)C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309883666 1120282661 /nfs/dbraw/zinc/28/26/61/1120282661.db2.gz KMOKEDDJOVJZQE-FUHWJXTLSA-N 2 1 274.452 3.534 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](C)Cc2ccccc2)C1 ZINC000182042771 1120312170 /nfs/dbraw/zinc/31/21/70/1120312170.db2.gz FAOUDDGZQBFAMT-PKOBYXMFSA-N 2 1 288.479 3.529 20 0 CHADMP C[C@@H]1C[C@@H](NC2(CF)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000584590055 1120395132 /nfs/dbraw/zinc/39/51/32/1120395132.db2.gz IRCXDEFIKFPQQC-WBVHZDCISA-N 2 1 290.426 3.521 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000543064360 1120396856 /nfs/dbraw/zinc/39/68/56/1120396856.db2.gz VNBXRDNULYEPAC-DLBZAZTESA-N 2 1 292.854 3.865 20 0 CHADMP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629544751 1128914910 /nfs/dbraw/zinc/91/49/10/1128914910.db2.gz JFUKZDYHLFEYTC-GRDNDAEWSA-N 2 1 299.462 3.564 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(C2CC2)cc1 ZINC000417358540 1120435631 /nfs/dbraw/zinc/43/56/31/1120435631.db2.gz UFTQYWKQQWSTQC-AWEZNQCLSA-N 2 1 284.447 3.841 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000660220789 1120448140 /nfs/dbraw/zinc/44/81/40/1120448140.db2.gz MWJDZCRUTPQJEJ-FLNBYBTLSA-N 2 1 298.474 3.533 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1csc(Cl)c1 ZINC000191166067 1120516178 /nfs/dbraw/zinc/51/61/78/1120516178.db2.gz YVPKEETZIMREKI-QWRGUYRKSA-N 2 1 284.856 3.536 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCCc2sc(Cl)cc21 ZINC000253215659 1128922711 /nfs/dbraw/zinc/92/27/11/1128922711.db2.gz CPFQCZDKJXIKQP-RAIGVLPGSA-N 2 1 298.883 3.709 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCCc2sc(Cl)cc21 ZINC000253215659 1128922713 /nfs/dbraw/zinc/92/27/13/1128922713.db2.gz CPFQCZDKJXIKQP-RAIGVLPGSA-N 2 1 298.883 3.709 20 0 CHADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCCc2ccc(F)cc21 ZINC000499938083 1120554340 /nfs/dbraw/zinc/55/43/40/1120554340.db2.gz XAIUXWSBHQRMFS-GOSISDBHSA-N 2 1 290.426 3.621 20 0 CHADMP CCC(CC)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398215920 1120594929 /nfs/dbraw/zinc/59/49/29/1120594929.db2.gz RCKZIAMJWUKYSV-VQIMIIECSA-N 2 1 288.479 3.923 20 0 CHADMP Cc1oc2ccccc2c1[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000925703754 1120642368 /nfs/dbraw/zinc/64/23/68/1120642368.db2.gz FMIJLHZUVFLSFC-CYBMUJFWSA-N 2 1 284.403 3.654 20 0 CHADMP Cc1cc[nH+]c(N[C@@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000925721282 1120698034 /nfs/dbraw/zinc/69/80/34/1120698034.db2.gz BSHLEGOOCOSBFQ-AWEZNQCLSA-N 2 1 269.392 3.625 20 0 CHADMP C[C@@H]1CCCCC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000651725096 1120727629 /nfs/dbraw/zinc/72/76/29/1120727629.db2.gz SJMKXKNEMIOVOH-AKBNIOSXSA-N 2 1 264.457 3.560 20 0 CHADMP C[C@@H]1CCCCC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000651725096 1120727631 /nfs/dbraw/zinc/72/76/31/1120727631.db2.gz SJMKXKNEMIOVOH-AKBNIOSXSA-N 2 1 264.457 3.560 20 0 CHADMP CCCCCC[C@@H](C)[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000228084017 1120769397 /nfs/dbraw/zinc/76/93/97/1120769397.db2.gz UXZSSOJIIDGSIK-IAGOWNOFSA-N 2 1 266.473 3.811 20 0 CHADMP CC(C)C[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)c1ccccn1 ZINC000652222616 1120801789 /nfs/dbraw/zinc/80/17/89/1120801789.db2.gz TUOWQKUKAMTQQO-GOSISDBHSA-N 2 1 291.483 3.736 20 0 CHADMP CC(C)C[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)c1ccccn1 ZINC000652222616 1120801793 /nfs/dbraw/zinc/80/17/93/1120801793.db2.gz TUOWQKUKAMTQQO-GOSISDBHSA-N 2 1 291.483 3.736 20 0 CHADMP Cc1ccc2[nH]c(CN(C)C[C@@H]3CCC[N@@H+](C)C3)cc2c1C ZINC000473142395 1120806172 /nfs/dbraw/zinc/80/61/72/1120806172.db2.gz CFFLRMBWLPHBOG-MRXNPFEDSA-N 2 1 299.462 3.558 20 0 CHADMP Cc1ccc2[nH]c(C[NH+](C)C[C@@H]3CCC[N@H+](C)C3)cc2c1C ZINC000473142395 1120806181 /nfs/dbraw/zinc/80/61/81/1120806181.db2.gz CFFLRMBWLPHBOG-MRXNPFEDSA-N 2 1 299.462 3.558 20 0 CHADMP Cc1ccc2[nH]c(C[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)cc2c1C ZINC000473142395 1120806183 /nfs/dbraw/zinc/80/61/83/1120806183.db2.gz CFFLRMBWLPHBOG-MRXNPFEDSA-N 2 1 299.462 3.558 20 0 CHADMP CSCc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000598974854 1120869425 /nfs/dbraw/zinc/86/94/25/1120869425.db2.gz CKEWIWRBIMZYIL-INIZCTEOSA-N 2 1 292.492 3.512 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](C)c2ccccc2)C1 ZINC000249042231 1120879988 /nfs/dbraw/zinc/87/99/88/1120879988.db2.gz VATDKUSCLNFRAE-IRXDYDNUSA-N 2 1 274.452 3.500 20 0 CHADMP C[C@@H](c1cccc2ccccc21)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251581078 1120882516 /nfs/dbraw/zinc/88/25/16/1120882516.db2.gz WDDGNBUFNWSKEF-UAGQMJEPSA-N 2 1 280.415 3.727 20 0 CHADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251581078 1120882519 /nfs/dbraw/zinc/88/25/19/1120882519.db2.gz WDDGNBUFNWSKEF-UAGQMJEPSA-N 2 1 280.415 3.727 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252697729 1120884743 /nfs/dbraw/zinc/88/47/43/1120884743.db2.gz JAWTZEWGZPQESA-KFWWJZLASA-N 2 1 268.404 3.570 20 0 CHADMP CCCCC[C@@H]1CCCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000662153581 1120886711 /nfs/dbraw/zinc/88/67/11/1120886711.db2.gz GPSFKFMKCPWQRO-MRXNPFEDSA-N 2 1 277.456 3.788 20 0 CHADMP CCCCC[C@@H]1CCCC[N@H+]1CCCc1c[nH+]cn1C ZINC000662153581 1120886714 /nfs/dbraw/zinc/88/67/14/1120886714.db2.gz GPSFKFMKCPWQRO-MRXNPFEDSA-N 2 1 277.456 3.788 20 0 CHADMP CCC1([NH3+])CC[NH+]([C@H](C)c2cnc3ccsc3c2)CC1 ZINC000925755361 1120900809 /nfs/dbraw/zinc/90/08/09/1120900809.db2.gz DYDWBFHNNNFBFY-GFCCVEGCSA-N 2 1 289.448 3.561 20 0 CHADMP CC(C)c1cccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000662243952 1120910473 /nfs/dbraw/zinc/91/04/73/1120910473.db2.gz DQBBNTXTKTXARW-UHFFFAOYSA-N 2 1 286.463 3.774 20 0 CHADMP C[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297268 1120921667 /nfs/dbraw/zinc/92/16/67/1120921667.db2.gz OWSPVMYUVLZKNH-YOEHRIQHSA-N 2 1 290.426 3.598 20 0 CHADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344068 1120940422 /nfs/dbraw/zinc/94/04/22/1120940422.db2.gz NIYAYHBXDBUDFM-PVAVHDDUSA-N 2 1 278.484 3.523 20 0 CHADMP Cc1cc(C)cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347472 1120942534 /nfs/dbraw/zinc/94/25/34/1120942534.db2.gz LQDKQQLVTZTWTI-SFHVURJKSA-N 2 1 286.463 3.515 20 0 CHADMP Cc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1C ZINC000663347677 1120943139 /nfs/dbraw/zinc/94/31/39/1120943139.db2.gz RYGQGRNCFLOZDW-GOSISDBHSA-N 2 1 286.463 3.515 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150827212 1120950032 /nfs/dbraw/zinc/95/00/32/1120950032.db2.gz HQCFSFQPBCRLND-CRAIPNDOSA-N 2 1 290.426 3.695 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150827212 1120950038 /nfs/dbraw/zinc/95/00/38/1120950038.db2.gz HQCFSFQPBCRLND-CRAIPNDOSA-N 2 1 290.426 3.695 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C1CCCCC1 ZINC000663466951 1120982733 /nfs/dbraw/zinc/98/27/33/1120982733.db2.gz BWKCXDSWMIXZNA-NVXWUHKLSA-N 2 1 278.484 3.667 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCNCc1cnc2ccccc2c1 ZINC000317074938 1120987006 /nfs/dbraw/zinc/98/70/06/1120987006.db2.gz HEWDIGZZAQBSLB-INIZCTEOSA-N 2 1 297.446 3.589 20 0 CHADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cnc2ccccc2c1 ZINC000317074938 1120987009 /nfs/dbraw/zinc/98/70/09/1120987009.db2.gz HEWDIGZZAQBSLB-INIZCTEOSA-N 2 1 297.446 3.589 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cnc2ccccc2c1 ZINC000317074938 1120987011 /nfs/dbraw/zinc/98/70/11/1120987011.db2.gz HEWDIGZZAQBSLB-INIZCTEOSA-N 2 1 297.446 3.589 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001167825604 1120999845 /nfs/dbraw/zinc/99/98/45/1120999845.db2.gz KJHXOAITDDRCTE-KBPBESRZSA-N 2 1 294.405 3.771 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H]1c1ccncc1 ZINC001167825890 1120999974 /nfs/dbraw/zinc/99/99/74/1120999974.db2.gz LMOKMQLXFYQLMX-AEFFLSMTSA-N 2 1 289.467 3.729 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCc2ccccc2C1 ZINC001167826181 1121001118 /nfs/dbraw/zinc/00/11/18/1121001118.db2.gz ODXYNLXWUYDTBN-KRWDZBQOSA-N 2 1 288.479 3.945 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC001167826923 1121002011 /nfs/dbraw/zinc/00/20/11/1121002011.db2.gz RZSHLYIZMBNYIF-MJGOQNOKSA-N 2 1 288.479 3.986 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)CCc1ccc(C)cc1 ZINC001167827416 1121003067 /nfs/dbraw/zinc/00/30/67/1121003067.db2.gz VTMDHFUEPRRLTM-SFHVURJKSA-N 2 1 290.495 3.980 20 0 CHADMP CC(C)C[C@H]([NH2+]C[C@@H](C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000643528785 1121008895 /nfs/dbraw/zinc/00/88/95/1121008895.db2.gz OUAFRCGZKMZPSG-RISCZKNCSA-N 2 1 288.357 3.729 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H]1c1cccnc1 ZINC001167838135 1121040532 /nfs/dbraw/zinc/04/05/32/1121040532.db2.gz QPFYIWIUIBCAQL-FUHWJXTLSA-N 2 1 289.467 3.729 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)CC1CCCC1 ZINC001167838170 1121041169 /nfs/dbraw/zinc/04/11/69/1121041169.db2.gz RDICJFKJZOUBGH-OAHLLOKOSA-N 2 1 254.462 3.619 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1cccc(F)c1F ZINC001167840759 1121052477 /nfs/dbraw/zinc/05/24/77/1121052477.db2.gz ILWXJVUPWWRNSR-CQSZACIVSA-N 2 1 298.421 3.907 20 0 CHADMP c1ccc([C@@H](CC2CCC2)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000344031199 1121057781 /nfs/dbraw/zinc/05/77/81/1121057781.db2.gz GLXGFFQXZHOLRG-FXAWDEMLSA-N 2 1 298.474 3.992 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C(C)(C)C)s2)CC[N@@H+]1C ZINC000093644571 1128966842 /nfs/dbraw/zinc/96/68/42/1128966842.db2.gz OHVYMXMMGIIOHI-ZIAGYGMSSA-N 2 1 294.508 3.960 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C(C)(C)C)s2)CC[N@H+]1C ZINC000093644571 1128966846 /nfs/dbraw/zinc/96/68/46/1128966846.db2.gz OHVYMXMMGIIOHI-ZIAGYGMSSA-N 2 1 294.508 3.960 20 0 CHADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C(C)(C)C)s2)CC[NH+]1C ZINC000093644571 1128966849 /nfs/dbraw/zinc/96/68/49/1128966849.db2.gz OHVYMXMMGIIOHI-ZIAGYGMSSA-N 2 1 294.508 3.960 20 0 CHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C(C)(C)C)s2)CC[NH+]1C ZINC000093644571 1128966851 /nfs/dbraw/zinc/96/68/51/1128966851.db2.gz OHVYMXMMGIIOHI-ZIAGYGMSSA-N 2 1 294.508 3.960 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000163350348 1121178530 /nfs/dbraw/zinc/17/85/30/1121178530.db2.gz WPUXOCMGVPPAKV-SFHVURJKSA-N 2 1 298.434 3.512 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000163350348 1121178536 /nfs/dbraw/zinc/17/85/36/1121178536.db2.gz WPUXOCMGVPPAKV-SFHVURJKSA-N 2 1 298.434 3.512 20 0 CHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1CCCc2ccccc21 ZINC000674771516 1121179008 /nfs/dbraw/zinc/17/90/08/1121179008.db2.gz OBVJDOMEUXUQBK-MJGOQNOKSA-N 2 1 286.463 3.870 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@H]1CCCc2ccccc21 ZINC000674771516 1121179011 /nfs/dbraw/zinc/17/90/11/1121179011.db2.gz OBVJDOMEUXUQBK-MJGOQNOKSA-N 2 1 286.463 3.870 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@H]1CCCc2ccccc21 ZINC000674771516 1121179013 /nfs/dbraw/zinc/17/90/13/1121179013.db2.gz OBVJDOMEUXUQBK-MJGOQNOKSA-N 2 1 286.463 3.870 20 0 CHADMP CC(C)[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccn1 ZINC000766083750 1121201214 /nfs/dbraw/zinc/20/12/14/1121201214.db2.gz ZZNDSZZZCKNYJG-QGZVFWFLSA-N 2 1 289.467 3.631 20 0 CHADMP CC(C)CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512249950 1121227350 /nfs/dbraw/zinc/22/73/50/1121227350.db2.gz BCRXYRLNHPJACB-LJQANCHMSA-N 2 1 286.463 3.631 20 0 CHADMP CC(C)CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512249950 1121227352 /nfs/dbraw/zinc/22/73/52/1121227352.db2.gz BCRXYRLNHPJACB-LJQANCHMSA-N 2 1 286.463 3.631 20 0 CHADMP CC(C)CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512249950 1121227353 /nfs/dbraw/zinc/22/73/53/1121227353.db2.gz BCRXYRLNHPJACB-LJQANCHMSA-N 2 1 286.463 3.631 20 0 CHADMP Clc1ccc2c(c1)nccc2N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044725860 1121229270 /nfs/dbraw/zinc/22/92/70/1121229270.db2.gz QJNRYFJWLJAEMU-LBPRGKRZSA-N 2 1 287.794 3.537 20 0 CHADMP Clc1ccc2c(N[C@H]3CC[N@@H+](C4CC4)C3)cc[nH+]c2c1 ZINC000044725860 1121229277 /nfs/dbraw/zinc/22/92/77/1121229277.db2.gz QJNRYFJWLJAEMU-LBPRGKRZSA-N 2 1 287.794 3.537 20 0 CHADMP Clc1ccc2c(N[C@H]3CC[N@H+](C4CC4)C3)cc[nH+]c2c1 ZINC000044725860 1121229283 /nfs/dbraw/zinc/22/92/83/1121229283.db2.gz QJNRYFJWLJAEMU-LBPRGKRZSA-N 2 1 287.794 3.537 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CCN(C/C(C)=C/c2ccccc2)C1 ZINC000093742255 1128972416 /nfs/dbraw/zinc/97/24/16/1128972416.db2.gz MXBXWKDWBUVCKD-UMEYKSNOSA-N 2 1 286.463 3.754 20 0 CHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C/C(C)=C/c2ccccc2)C1 ZINC000093742255 1128972417 /nfs/dbraw/zinc/97/24/17/1128972417.db2.gz MXBXWKDWBUVCKD-UMEYKSNOSA-N 2 1 286.463 3.754 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C/C(C)=C/c2ccccc2)C1 ZINC000093742255 1128972420 /nfs/dbraw/zinc/97/24/20/1128972420.db2.gz MXBXWKDWBUVCKD-UMEYKSNOSA-N 2 1 286.463 3.754 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C/C(C)=C/c2ccccc2)C1 ZINC000093742255 1128972422 /nfs/dbraw/zinc/97/24/22/1128972422.db2.gz MXBXWKDWBUVCKD-UMEYKSNOSA-N 2 1 286.463 3.754 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C/C(C)=C/c2ccccc2)C1 ZINC000093742255 1128972425 /nfs/dbraw/zinc/97/24/25/1128972425.db2.gz MXBXWKDWBUVCKD-UMEYKSNOSA-N 2 1 286.463 3.754 20 0 CHADMP C[C@@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)c1cccc(Cl)c1 ZINC000189702064 1121272192 /nfs/dbraw/zinc/27/21/92/1121272192.db2.gz UCMXKOQNWLREIR-LSDHHAIUSA-N 2 1 294.870 3.717 20 0 CHADMP C[C@@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000189702064 1121272201 /nfs/dbraw/zinc/27/22/01/1121272201.db2.gz UCMXKOQNWLREIR-LSDHHAIUSA-N 2 1 294.870 3.717 20 0 CHADMP CCCC[C@H](CC)CC[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000437792321 1121295519 /nfs/dbraw/zinc/29/55/19/1121295519.db2.gz LBLZLOWPQGPTKU-YESZJQIVSA-N 2 1 266.473 3.619 20 0 CHADMP CCCC[C@H](CC)CC[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000437792321 1121295525 /nfs/dbraw/zinc/29/55/25/1121295525.db2.gz LBLZLOWPQGPTKU-YESZJQIVSA-N 2 1 266.473 3.619 20 0 CHADMP CC(C)(C)C(=[NH2+])Nc1cc(Br)cc2c[nH+]cn21 ZINC001162665603 1121329871 /nfs/dbraw/zinc/32/98/71/1121329871.db2.gz JSAUTETWXREUDN-UHFFFAOYSA-N 2 1 295.184 3.532 20 0 CHADMP c1ccc([C@H](CC2CC2)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000675751884 1121350984 /nfs/dbraw/zinc/35/09/84/1121350984.db2.gz BMFLZDOJCFBGEN-FHWLQOOXSA-N 2 1 284.447 3.744 20 0 CHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC/C=C\c1ccccc1)C2 ZINC000660664091 1121374168 /nfs/dbraw/zinc/37/41/68/1121374168.db2.gz PUBIFENOGSXJAJ-HIZXUYSRSA-N 2 1 284.447 3.508 20 0 CHADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC/C=C\c1ccccc1)C2 ZINC000660664091 1121374176 /nfs/dbraw/zinc/37/41/76/1121374176.db2.gz PUBIFENOGSXJAJ-HIZXUYSRSA-N 2 1 284.447 3.508 20 0 CHADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC/C=C\c1ccccc1)C2 ZINC000660664091 1121374184 /nfs/dbraw/zinc/37/41/84/1121374184.db2.gz PUBIFENOGSXJAJ-HIZXUYSRSA-N 2 1 284.447 3.508 20 0 CHADMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC001175610936 1121411277 /nfs/dbraw/zinc/41/12/77/1121411277.db2.gz JDXGQVNRUPSOFE-GOSISDBHSA-N 2 1 278.484 3.765 20 0 CHADMP c1ccc([C@H]2CCC[C@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000631184373 1128990434 /nfs/dbraw/zinc/99/04/34/1128990434.db2.gz LLSWZHQRDQURBB-WJFTUGDTSA-N 2 1 284.447 3.539 20 0 CHADMP CCCC[C@@H](CC)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512557356 1121471377 /nfs/dbraw/zinc/47/13/77/1121471377.db2.gz PSUASZYXOSEBBO-VPSFDDGASA-N 2 1 266.473 3.760 20 0 CHADMP CCCC[C@@H](CC)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000512557356 1121471378 /nfs/dbraw/zinc/47/13/78/1121471378.db2.gz PSUASZYXOSEBBO-VPSFDDGASA-N 2 1 266.473 3.760 20 0 CHADMP CCCC[C@@H](CC)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000512557356 1121471380 /nfs/dbraw/zinc/47/13/80/1121471380.db2.gz PSUASZYXOSEBBO-VPSFDDGASA-N 2 1 266.473 3.760 20 0 CHADMP CC(C)[C@@H](c1ccccc1)[N@@H+](C)CCCCCC[NH3+] ZINC000710761984 1121476379 /nfs/dbraw/zinc/47/63/79/1121476379.db2.gz ZESGVHPSSFXVTI-KRWDZBQOSA-N 2 1 262.441 3.835 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167916193 1121519949 /nfs/dbraw/zinc/51/99/49/1121519949.db2.gz GPGZWJIYWGFAKI-AKAMXIMMSA-N 2 1 284.447 3.557 20 0 CHADMP CCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512669168 1121521090 /nfs/dbraw/zinc/52/10/90/1121521090.db2.gz YZLWFGIGWQXOHV-CEXWTWQISA-N 2 1 286.463 3.677 20 0 CHADMP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)CC1CC1 ZINC000411171627 1121531087 /nfs/dbraw/zinc/53/10/87/1121531087.db2.gz JINXJJKGRSTLDR-UHFFFAOYSA-N 2 1 272.436 3.514 20 0 CHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](c2ccccc2)C1 ZINC000433044471 1121533937 /nfs/dbraw/zinc/53/39/37/1121533937.db2.gz NEBSVNFBEYWCPW-RBUKOAKNSA-N 2 1 286.463 3.740 20 0 CHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433044471 1121533943 /nfs/dbraw/zinc/53/39/43/1121533943.db2.gz NEBSVNFBEYWCPW-RBUKOAKNSA-N 2 1 286.463 3.740 20 0 CHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433044471 1121533949 /nfs/dbraw/zinc/53/39/49/1121533949.db2.gz NEBSVNFBEYWCPW-RBUKOAKNSA-N 2 1 286.463 3.740 20 0 CHADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCc2ccccc21 ZINC000923301479 1121557892 /nfs/dbraw/zinc/55/78/92/1121557892.db2.gz ULCFPTYLPIOXJT-KTWXZFIHSA-N 2 1 284.447 3.526 20 0 CHADMP CCC(CC)(CC)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000671753515 1121599432 /nfs/dbraw/zinc/59/94/32/1121599432.db2.gz SRBNTNBPQUBTQS-XHSDSOJGSA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C1CC(C)(C)C1 ZINC000433155975 1121600119 /nfs/dbraw/zinc/60/01/19/1121600119.db2.gz GZQAMEJLGHXGJW-UHFFFAOYSA-N 2 1 274.452 3.805 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CC(C)(C)C2)cc1F ZINC000433165876 1121603760 /nfs/dbraw/zinc/60/37/60/1121603760.db2.gz DGRSLYITDUIDGM-UHFFFAOYSA-N 2 1 287.382 3.598 20 0 CHADMP FC(F)(F)c1c[nH+]ccc1Nc1cc[nH+]c(C2CC2)c1 ZINC001249587590 1121605061 /nfs/dbraw/zinc/60/50/61/1121605061.db2.gz WYPKGBFWLGVOQR-UHFFFAOYSA-N 2 1 279.265 3.538 20 0 CHADMP CCC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCC1 ZINC000322734376 1121612296 /nfs/dbraw/zinc/61/22/96/1121612296.db2.gz WPWXFGZMACBOAK-NPYXIHBLSA-N 2 1 264.457 3.560 20 0 CHADMP CCC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCC1 ZINC000322734376 1121612302 /nfs/dbraw/zinc/61/23/02/1121612302.db2.gz WPWXFGZMACBOAK-NPYXIHBLSA-N 2 1 264.457 3.560 20 0 CHADMP CC(C)[NH+](CCC[NH2+]Cc1scnc1C1CC1)C(C)C ZINC000487299703 1121617649 /nfs/dbraw/zinc/61/76/49/1121617649.db2.gz UROWFMNBLVJRJJ-UHFFFAOYSA-N 2 1 295.496 3.619 20 0 CHADMP C[N@@H+]1CCC[C@H](C[NH2+]C2CC(C)(C)C2)[C@@H]1c1cccs1 ZINC000433267751 1121632829 /nfs/dbraw/zinc/63/28/29/1121632829.db2.gz HYZQUSVSYVODOX-CZUORRHYSA-N 2 1 292.492 3.909 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+]C2CC(C)(C)C2)[C@@H]1c1cccs1 ZINC000433267751 1121632831 /nfs/dbraw/zinc/63/28/31/1121632831.db2.gz HYZQUSVSYVODOX-CZUORRHYSA-N 2 1 292.492 3.909 20 0 CHADMP Cc1nccn1CCC[N@H+](C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419336652 1121665516 /nfs/dbraw/zinc/66/55/16/1121665516.db2.gz PVWOYBSSTJJBOL-HOTGVXAUSA-N 2 1 277.456 3.728 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419336652 1121665520 /nfs/dbraw/zinc/66/55/20/1121665520.db2.gz PVWOYBSSTJJBOL-HOTGVXAUSA-N 2 1 277.456 3.728 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419336652 1121665522 /nfs/dbraw/zinc/66/55/22/1121665522.db2.gz PVWOYBSSTJJBOL-HOTGVXAUSA-N 2 1 277.456 3.728 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](c2ccccc2)CC1(C)C ZINC001176655271 1121677873 /nfs/dbraw/zinc/67/78/73/1121677873.db2.gz GHYYYTYSMHCPAT-SFHVURJKSA-N 2 1 297.446 3.850 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](c2ccccc2)CC1(C)C ZINC001176655271 1121677875 /nfs/dbraw/zinc/67/78/75/1121677875.db2.gz GHYYYTYSMHCPAT-SFHVURJKSA-N 2 1 297.446 3.850 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@@H](CCC(C)C)C1 ZINC001177328122 1121724271 /nfs/dbraw/zinc/72/42/71/1121724271.db2.gz IAHIBJPMQLMCNC-IAGOWNOFSA-N 2 1 277.456 3.776 20 0 CHADMP CS[C@@H]1CCC[C@H]([NH2+]C[C@@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001177441843 1121732675 /nfs/dbraw/zinc/73/26/75/1121732675.db2.gz JKYNWOOWGVDWQJ-MWDXBVQZSA-N 2 1 298.540 3.761 20 0 CHADMP CCCC[C@H](CC)CC[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000535597493 1121744934 /nfs/dbraw/zinc/74/49/34/1121744934.db2.gz HZJFVINHLIIMQA-HOTGVXAUSA-N 2 1 254.462 3.524 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000285871959 1121764182 /nfs/dbraw/zinc/76/41/82/1121764182.db2.gz YGAJNWSNCRUHMO-MAUKXSAKSA-N 2 1 283.419 3.665 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000285871959 1121764189 /nfs/dbraw/zinc/76/41/89/1121764189.db2.gz YGAJNWSNCRUHMO-MAUKXSAKSA-N 2 1 283.419 3.665 20 0 CHADMP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC001178369147 1121781667 /nfs/dbraw/zinc/78/16/67/1121781667.db2.gz GFFPHVZCJPIYDD-IKGGRYGDSA-N 2 1 272.436 3.581 20 0 CHADMP C[C@H](CC[NH2+]Cc1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC001178462741 1121789445 /nfs/dbraw/zinc/78/94/45/1121789445.db2.gz ICBMFHMSGNBTFN-CQSZACIVSA-N 2 1 280.843 3.694 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC001178628710 1121801358 /nfs/dbraw/zinc/80/13/58/1121801358.db2.gz BGOYIVIJNZHKHF-BZUAXINKSA-N 2 1 254.462 3.521 20 0 CHADMP C([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)C1CCCCCC1 ZINC001179193086 1121862314 /nfs/dbraw/zinc/86/23/14/1121862314.db2.gz DHAAZYATLHGHBM-KRWDZBQOSA-N 2 1 278.484 3.953 20 0 CHADMP C([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)C1CCCCCC1 ZINC001179193086 1121862319 /nfs/dbraw/zinc/86/23/19/1121862319.db2.gz DHAAZYATLHGHBM-KRWDZBQOSA-N 2 1 278.484 3.953 20 0 CHADMP C[N@H+](Cc1ccoc1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001204245202 1121882968 /nfs/dbraw/zinc/88/29/68/1121882968.db2.gz FPQSCTYJIVGSNG-UHFFFAOYSA-N 2 1 298.430 3.624 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccc(C)c(C)c2)[C@H](C)C1 ZINC001204247755 1121885534 /nfs/dbraw/zinc/88/55/34/1121885534.db2.gz BGGIDJURVQLPRJ-IEBWSBKVSA-N 2 1 288.479 3.508 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccc(C)c(C)c2)[C@H](C)C1 ZINC001204247755 1121885544 /nfs/dbraw/zinc/88/55/44/1121885544.db2.gz BGGIDJURVQLPRJ-IEBWSBKVSA-N 2 1 288.479 3.508 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccc(C)c(C)c2)[C@H](C)C1 ZINC001204247755 1121885552 /nfs/dbraw/zinc/88/55/52/1121885552.db2.gz BGGIDJURVQLPRJ-IEBWSBKVSA-N 2 1 288.479 3.508 20 0 CHADMP CC(C)CCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001179924871 1121923158 /nfs/dbraw/zinc/92/31/58/1121923158.db2.gz KQBNWIOJSFRRLE-SJLPKXTDSA-N 2 1 278.484 3.761 20 0 CHADMP CC(C)CCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001179924871 1121923169 /nfs/dbraw/zinc/92/31/69/1121923169.db2.gz KQBNWIOJSFRRLE-SJLPKXTDSA-N 2 1 278.484 3.761 20 0 CHADMP CC(C)CCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001179924871 1121923176 /nfs/dbraw/zinc/92/31/76/1121923176.db2.gz KQBNWIOJSFRRLE-SJLPKXTDSA-N 2 1 278.484 3.761 20 0 CHADMP Cc1cc(NCCCCCCC[NH+]2CCCC2)nc(C)[nH+]1 ZINC000732567861 1121928194 /nfs/dbraw/zinc/92/81/94/1121928194.db2.gz VZDBUBRTSRRRKY-UHFFFAOYSA-N 2 1 290.455 3.552 20 0 CHADMP CC[NH+]1CCC(C[N@@H+](C)Cc2cc3ccccc3o2)CC1 ZINC001180052072 1121943600 /nfs/dbraw/zinc/94/36/00/1121943600.db2.gz ORBSCRSWLMBEQI-UHFFFAOYSA-N 2 1 286.419 3.597 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCSC2CCCCC2)[C@H](C)C1 ZINC000501035656 1121945798 /nfs/dbraw/zinc/94/57/98/1121945798.db2.gz IPXRGOXLDFGRSG-NVXWUHKLSA-N 2 1 298.540 3.714 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)s1 ZINC000420298873 1121996642 /nfs/dbraw/zinc/99/66/42/1121996642.db2.gz IDSLBNABZSHHBR-GJZGRUSLSA-N 2 1 278.465 3.583 20 0 CHADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CC[C@@H]1c1ccccc1 ZINC000420300759 1121996727 /nfs/dbraw/zinc/99/67/27/1121996727.db2.gz KLSHAPCAYVGNCK-SCTDSRPQSA-N 2 1 286.463 3.502 20 0 CHADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cccc(Cl)c1 ZINC000420302297 1121998506 /nfs/dbraw/zinc/99/85/06/1121998506.db2.gz JNLVAIHDJHQHTO-AWEZNQCLSA-N 2 1 280.843 3.552 20 0 CHADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1Oc1ccccc1 ZINC000420322320 1121999711 /nfs/dbraw/zinc/99/97/11/1121999711.db2.gz SLHQQLQONYABGN-HOTGVXAUSA-N 2 1 296.414 3.648 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420330912 1122001294 /nfs/dbraw/zinc/00/12/94/1122001294.db2.gz QGEYLKGQORUZKM-VNQPRFMTSA-N 2 1 292.854 3.723 20 0 CHADMP c1ccc2c(c1)cccc2C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420405063 1122005753 /nfs/dbraw/zinc/00/57/53/1122005753.db2.gz SPFSTDHAHXBMGR-YLJYHZDGSA-N 2 1 294.442 3.804 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2 ZINC001181410976 1122052389 /nfs/dbraw/zinc/05/23/89/1122052389.db2.gz VPMVNHLGISJJTQ-CWHQUEMWSA-N 2 1 266.473 3.521 20 0 CHADMP CCC[C@H]([NH2+]C[C@@H](C)[NH+](CC)CC)[C@@H]1CC1(C)C ZINC001181409838 1122055029 /nfs/dbraw/zinc/05/50/29/1122055029.db2.gz FUDKZMQCZSOOOG-ILXRZTDVSA-N 2 1 254.462 3.521 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC001181534049 1122061449 /nfs/dbraw/zinc/06/14/49/1122061449.db2.gz FMDJEYNEVGMMNP-ZJPYXAASSA-N 2 1 278.484 3.619 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC001181534049 1122061454 /nfs/dbraw/zinc/06/14/54/1122061454.db2.gz FMDJEYNEVGMMNP-ZJPYXAASSA-N 2 1 278.484 3.619 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC001181534049 1122061458 /nfs/dbraw/zinc/06/14/58/1122061458.db2.gz FMDJEYNEVGMMNP-ZJPYXAASSA-N 2 1 278.484 3.619 20 0 CHADMP FC(F)C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000421375526 1122103642 /nfs/dbraw/zinc/10/36/42/1122103642.db2.gz QFNNJOHWBJTADC-JYJNAYRXSA-N 2 1 294.389 3.599 20 0 CHADMP FC(F)C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000421375526 1122103644 /nfs/dbraw/zinc/10/36/44/1122103644.db2.gz QFNNJOHWBJTADC-JYJNAYRXSA-N 2 1 294.389 3.599 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@H](CC(F)F)c2ccccc2)CC1 ZINC000421379220 1122104784 /nfs/dbraw/zinc/10/47/84/1122104784.db2.gz WTVZSZNOJPVAJJ-MRXNPFEDSA-N 2 1 296.405 3.847 20 0 CHADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccccc1SC(C)(C)C ZINC000817960207 1122112234 /nfs/dbraw/zinc/11/22/34/1122112234.db2.gz KCPQALJTABHJPV-LBPRGKRZSA-N 2 1 280.481 3.965 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC001182151624 1122114677 /nfs/dbraw/zinc/11/46/77/1122114677.db2.gz BBCQVVRZNARXPM-IPJUCJBFSA-N 2 1 288.479 3.817 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC001182151624 1122114685 /nfs/dbraw/zinc/11/46/85/1122114685.db2.gz BBCQVVRZNARXPM-IPJUCJBFSA-N 2 1 288.479 3.817 20 0 CHADMP C[C@H](C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC001182251100 1122124194 /nfs/dbraw/zinc/12/41/94/1122124194.db2.gz MEBWBBJNQKZXNX-CVEARBPZSA-N 2 1 266.473 3.524 20 0 CHADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](C)c1ccc(F)cc1 ZINC000502689738 1122133934 /nfs/dbraw/zinc/13/39/34/1122133934.db2.gz NEZRCGGUMGNPGA-YOEHRIQHSA-N 2 1 278.415 3.693 20 0 CHADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H](C)c1ccc(F)cc1 ZINC000502689738 1122133937 /nfs/dbraw/zinc/13/39/37/1122133937.db2.gz NEZRCGGUMGNPGA-YOEHRIQHSA-N 2 1 278.415 3.693 20 0 CHADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H](C)c1ccc(F)cc1 ZINC000502689738 1122133941 /nfs/dbraw/zinc/13/39/41/1122133941.db2.gz NEZRCGGUMGNPGA-YOEHRIQHSA-N 2 1 278.415 3.693 20 0 CHADMP CC(C)CCC1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000503075955 1122165797 /nfs/dbraw/zinc/16/57/97/1122165797.db2.gz SNOPTXDLWNHNAQ-KRWDZBQOSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(Cl)cc(Cl)c1 ZINC000271831642 1122177706 /nfs/dbraw/zinc/17/77/06/1122177706.db2.gz FAVHOKHIXWGDMM-LLVKDONJSA-N 2 1 299.245 3.906 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206541746 1122187327 /nfs/dbraw/zinc/18/73/27/1122187327.db2.gz JCQARCHWQRDOMC-CHYADLBTSA-N 2 1 266.473 3.964 20 0 CHADMP CC1=C(C)C[C@H]([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC001182908907 1122196112 /nfs/dbraw/zinc/19/61/12/1122196112.db2.gz DDVMSIVLEXGTAE-FGTMMUONSA-N 2 1 278.484 3.833 20 0 CHADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc3c(F)cccc23)CC1 ZINC001205288668 1122251727 /nfs/dbraw/zinc/25/17/27/1122251727.db2.gz NGXQORWDRQBSJF-GOSISDBHSA-N 2 1 286.394 3.682 20 0 CHADMP C[C@@H]1C[C@]1([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000503368532 1122257056 /nfs/dbraw/zinc/25/70/56/1122257056.db2.gz DMQUJXWIUMRZDG-KBRIMQKVSA-N 2 1 292.854 3.649 20 0 CHADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(-c2ccccc2)cc1 ZINC000423320768 1122284563 /nfs/dbraw/zinc/28/45/63/1122284563.db2.gz MPTVAJWURFOCEH-LIRRHRJNSA-N 2 1 280.415 3.742 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@H]1CCCF ZINC000514819949 1122455518 /nfs/dbraw/zinc/45/55/18/1122455518.db2.gz GCTGUFLETKGHLJ-JYJNAYRXSA-N 2 1 272.452 3.615 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@H]1CCCF ZINC000514819949 1122455520 /nfs/dbraw/zinc/45/55/20/1122455520.db2.gz GCTGUFLETKGHLJ-JYJNAYRXSA-N 2 1 272.452 3.615 20 0 CHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000435382470 1122462488 /nfs/dbraw/zinc/46/24/88/1122462488.db2.gz DDYXWWLZPGYXNX-GDBMZVCRSA-N 2 1 284.403 3.506 20 0 CHADMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)s1 ZINC001167959945 1122498115 /nfs/dbraw/zinc/49/81/15/1122498115.db2.gz VVSGKAMOQKPLHM-MQVJKMGUSA-N 2 1 290.476 3.552 20 0 CHADMP C[N@H+](CC[NH2+][C@H]1CC[C@H](c2ccccc2)C1)C1CCCC1 ZINC000436236692 1122527042 /nfs/dbraw/zinc/52/70/42/1122527042.db2.gz BAJIAZQPSJVVEX-ROUUACIJSA-N 2 1 286.463 3.787 20 0 CHADMP C[N@@H+](CC[NH2+][C@H]1CC[C@H](c2ccccc2)C1)C1CCCC1 ZINC000436236692 1122527045 /nfs/dbraw/zinc/52/70/45/1122527045.db2.gz BAJIAZQPSJVVEX-ROUUACIJSA-N 2 1 286.463 3.787 20 0 CHADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000436255767 1122529136 /nfs/dbraw/zinc/52/91/36/1122529136.db2.gz YUNBFVTWBGRKNB-SZMVWBNQSA-N 2 1 274.452 3.643 20 0 CHADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000436255767 1122529140 /nfs/dbraw/zinc/52/91/40/1122529140.db2.gz YUNBFVTWBGRKNB-SZMVWBNQSA-N 2 1 274.452 3.643 20 0 CHADMP CCC(CC)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000436299046 1122535273 /nfs/dbraw/zinc/53/52/73/1122535273.db2.gz RDDSJGAEKQFMRG-INIZCTEOSA-N 2 1 252.446 3.562 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000436317689 1122537679 /nfs/dbraw/zinc/53/76/79/1122537679.db2.gz WIFKKZDEDGMRFI-WNOSKKOXSA-N 2 1 292.854 3.516 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000436317689 1122537681 /nfs/dbraw/zinc/53/76/81/1122537681.db2.gz WIFKKZDEDGMRFI-WNOSKKOXSA-N 2 1 292.854 3.516 20 0 CHADMP CC(C)(CC[N@H+]1CCC[C@](F)(C[NH3+])CC1)c1ccccc1 ZINC001205545507 1122561365 /nfs/dbraw/zinc/56/13/65/1122561365.db2.gz IGYGPWGRYCFDNO-GOSISDBHSA-N 2 1 292.442 3.507 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](C)C2CCCCC2)C1 ZINC001191260069 1122585380 /nfs/dbraw/zinc/58/53/80/1122585380.db2.gz ZCZAUMDDVDZVOI-IAGOWNOFSA-N 2 1 280.500 3.867 20 0 CHADMP FC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCCCC1 ZINC001167961341 1122586698 /nfs/dbraw/zinc/58/66/98/1122586698.db2.gz IMHZFXZYZMJJNA-ALOPSCKCSA-N 2 1 294.458 3.654 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cccs1 ZINC001167961409 1122592789 /nfs/dbraw/zinc/59/27/89/1122592789.db2.gz KBJCCMSRBYMTOZ-OHRKKDJYSA-N 2 1 290.476 3.804 20 0 CHADMP C[C@H](C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)C1CCCCC1 ZINC001191443919 1122599764 /nfs/dbraw/zinc/59/97/64/1122599764.db2.gz HAIIESVOKOVPKM-SJLPKXTDSA-N 2 1 292.511 3.867 20 0 CHADMP C[C@H](C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)C1CCCCC1 ZINC001191443919 1122599767 /nfs/dbraw/zinc/59/97/67/1122599767.db2.gz HAIIESVOKOVPKM-SJLPKXTDSA-N 2 1 292.511 3.867 20 0 CHADMP C[C@H](C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)C1CCCCC1 ZINC001191443919 1122599769 /nfs/dbraw/zinc/59/97/69/1122599769.db2.gz HAIIESVOKOVPKM-SJLPKXTDSA-N 2 1 292.511 3.867 20 0 CHADMP C1CC(=C2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)C1 ZINC000638378384 1122629076 /nfs/dbraw/zinc/62/90/76/1122629076.db2.gz WLKBDXATNPJJFU-MSOLQXFVSA-N 2 1 274.452 3.626 20 0 CHADMP C[C@@H]1CC[N@@H+](CCCCCc2ccccc2)CC[C@@H]1C[NH3+] ZINC001205603642 1122653529 /nfs/dbraw/zinc/65/35/29/1122653529.db2.gz ROYGPEVLMUIFRQ-IEBWSBKVSA-N 2 1 288.479 3.706 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000438070562 1122672553 /nfs/dbraw/zinc/67/25/53/1122672553.db2.gz FCZOJMGWNZCQFR-OALUTQOASA-N 2 1 288.479 3.817 20 0 CHADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cc(Cl)cc(Cl)c1 ZINC000425947215 1122675606 /nfs/dbraw/zinc/67/56/06/1122675606.db2.gz RQTWKKWQFBPTSW-WDEREUQCSA-N 2 1 289.250 3.842 20 0 CHADMP c1ccc([C@@H]2CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000438085299 1122677218 /nfs/dbraw/zinc/67/72/18/1122677218.db2.gz AZOMCWKIPSBHLS-YDZRNGNQSA-N 2 1 284.447 3.539 20 0 CHADMP c1ccc([C@@H]2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC000438085299 1122677220 /nfs/dbraw/zinc/67/72/20/1122677220.db2.gz AZOMCWKIPSBHLS-YDZRNGNQSA-N 2 1 284.447 3.539 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)c2ccc(F)cc2)C[C@@H]1C ZINC000438103279 1122678201 /nfs/dbraw/zinc/67/82/01/1122678201.db2.gz TZNLOCHQFTTWIN-MPGHIAIKSA-N 2 1 292.442 3.734 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)c2ccc(F)cc2)C[C@@H]1C ZINC000438103279 1122678204 /nfs/dbraw/zinc/67/82/04/1122678204.db2.gz TZNLOCHQFTTWIN-MPGHIAIKSA-N 2 1 292.442 3.734 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)c2ccc(F)cc2)C[C@@H]1C ZINC000438103279 1122678205 /nfs/dbraw/zinc/67/82/05/1122678205.db2.gz TZNLOCHQFTTWIN-MPGHIAIKSA-N 2 1 292.442 3.734 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)c2ccc(F)cc2)[C@@H](C)C1 ZINC000438122725 1122680606 /nfs/dbraw/zinc/68/06/06/1122680606.db2.gz WWZZWCXSQZGSKJ-MPGHIAIKSA-N 2 1 292.442 3.591 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)c2ccc(F)cc2)[C@@H](C)C1 ZINC000438122725 1122680610 /nfs/dbraw/zinc/68/06/10/1122680610.db2.gz WWZZWCXSQZGSKJ-MPGHIAIKSA-N 2 1 292.442 3.591 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)c2ccc(F)cc2)[C@@H](C)C1 ZINC000438122725 1122680613 /nfs/dbraw/zinc/68/06/13/1122680613.db2.gz WWZZWCXSQZGSKJ-MPGHIAIKSA-N 2 1 292.442 3.591 20 0 CHADMP CC(C)Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1 ZINC001205638932 1122707542 /nfs/dbraw/zinc/70/75/42/1122707542.db2.gz TURGWBMYIIAPPY-APWZRJJASA-N 2 1 288.479 3.692 20 0 CHADMP C[C@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000506314332 1122718517 /nfs/dbraw/zinc/71/85/17/1122718517.db2.gz FCMHJRCORWVHQR-LPHOPBHVSA-N 2 1 286.463 3.603 20 0 CHADMP C[C@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC000506314332 1122718520 /nfs/dbraw/zinc/71/85/20/1122718520.db2.gz FCMHJRCORWVHQR-LPHOPBHVSA-N 2 1 286.463 3.603 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(C(C)(C)C)cc2)CC[N@H+]1C ZINC000153641394 1129073929 /nfs/dbraw/zinc/07/39/29/1129073929.db2.gz TVVTWRSHRUYLAD-CRAIPNDOSA-N 2 1 288.479 3.599 20 0 CHADMP C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000439324353 1122772381 /nfs/dbraw/zinc/77/23/81/1122772381.db2.gz SDBJWVDVXZBDAE-NZSAHSFTSA-N 2 1 286.463 3.739 20 0 CHADMP C[C@@H]1C[C@@H](c2ccccc2)CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000439324353 1122772390 /nfs/dbraw/zinc/77/23/90/1122772390.db2.gz SDBJWVDVXZBDAE-NZSAHSFTSA-N 2 1 286.463 3.739 20 0 CHADMP C[C@@H]1C[C@@H](c2ccccc2)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000439324353 1122772392 /nfs/dbraw/zinc/77/23/92/1122772392.db2.gz SDBJWVDVXZBDAE-NZSAHSFTSA-N 2 1 286.463 3.739 20 0 CHADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCC1CCCCC1)C2 ZINC001194519502 1122779249 /nfs/dbraw/zinc/77/92/49/1122779249.db2.gz OUUCVRFQYIQEPZ-SFHVURJKSA-N 2 1 278.484 3.765 20 0 CHADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCCC1CCCCC1)C2 ZINC001194519502 1122779250 /nfs/dbraw/zinc/77/92/50/1122779250.db2.gz OUUCVRFQYIQEPZ-SFHVURJKSA-N 2 1 278.484 3.765 20 0 CHADMP CC[NH+]1CCC([N@H+](C)C/C(C)=C\c2ccccc2)CC1 ZINC000506687936 1122807575 /nfs/dbraw/zinc/80/75/75/1122807575.db2.gz DUGAAOBHFPQDAJ-PEZBUJJGSA-N 2 1 272.436 3.506 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)C/C(C)=C\c2ccccc2)CC1 ZINC000506687936 1122807581 /nfs/dbraw/zinc/80/75/81/1122807581.db2.gz DUGAAOBHFPQDAJ-PEZBUJJGSA-N 2 1 272.436 3.506 20 0 CHADMP CCN1CCC([N@@H+](C)C/C=C/c2ccc(Cl)cc2)CC1 ZINC000506691350 1122807604 /nfs/dbraw/zinc/80/76/04/1122807604.db2.gz YHRXXKZNCOOXHP-SNAWJCMRSA-N 2 1 292.854 3.769 20 0 CHADMP CC[NH+]1CCC(N(C)C/C=C/c2ccc(Cl)cc2)CC1 ZINC000506691350 1122807612 /nfs/dbraw/zinc/80/76/12/1122807612.db2.gz YHRXXKZNCOOXHP-SNAWJCMRSA-N 2 1 292.854 3.769 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC2(CCCC2)CC1 ZINC001196039693 1122904089 /nfs/dbraw/zinc/90/40/89/1122904089.db2.gz PMLOKIOYIYGKRW-MRXNPFEDSA-N 2 1 264.457 3.517 20 0 CHADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(C3CCC3)cc2)CC1 ZINC000507093885 1122923166 /nfs/dbraw/zinc/92/31/66/1122923166.db2.gz OXHRCOMEVIKMDG-UHFFFAOYSA-N 2 1 286.463 3.870 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C3CCC3)cc2)CC1 ZINC000507093885 1122923168 /nfs/dbraw/zinc/92/31/68/1122923168.db2.gz OXHRCOMEVIKMDG-UHFFFAOYSA-N 2 1 286.463 3.870 20 0 CHADMP CC(C)c1ccc([C@@H](C)[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1 ZINC001196781581 1122933872 /nfs/dbraw/zinc/93/38/72/1122933872.db2.gz CSWICFZBNLLVKY-LZQZEXGQSA-N 2 1 286.463 3.755 20 0 CHADMP CC(C)c1ccc([C@@H](C)[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1 ZINC001196781581 1122933875 /nfs/dbraw/zinc/93/38/75/1122933875.db2.gz CSWICFZBNLLVKY-LZQZEXGQSA-N 2 1 286.463 3.755 20 0 CHADMP CC(C)c1ccc([C@@H](C)[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1 ZINC001196781581 1122933877 /nfs/dbraw/zinc/93/38/77/1122933877.db2.gz CSWICFZBNLLVKY-LZQZEXGQSA-N 2 1 286.463 3.755 20 0 CHADMP c1sc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1-c1ccccc1 ZINC000427109345 1122945667 /nfs/dbraw/zinc/94/56/67/1122945667.db2.gz GYPKGMUTRMQTFL-YJBOKZPZSA-N 2 1 298.455 3.599 20 0 CHADMP c1sc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1-c1ccccc1 ZINC000427109345 1122945669 /nfs/dbraw/zinc/94/56/69/1122945669.db2.gz GYPKGMUTRMQTFL-YJBOKZPZSA-N 2 1 298.455 3.599 20 0 CHADMP CC(C)[C@@H](C[NH2+]C1C[C@H](C)C[C@@H](C)C1)[NH+]1CCCC1 ZINC000219316599 1122949085 /nfs/dbraw/zinc/94/90/85/1122949085.db2.gz ALOXZIKOAYXVRP-BFYDXBDKSA-N 2 1 266.473 3.521 20 0 CHADMP C[C@@]1(c2ccccc2)CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC001197340648 1122955412 /nfs/dbraw/zinc/95/54/12/1122955412.db2.gz AIWORJAYVFEAIL-IBGZPJMESA-N 2 1 286.463 3.874 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000507472257 1122957420 /nfs/dbraw/zinc/95/74/20/1122957420.db2.gz QPQYPWYMXOHQJB-JONQDZQNSA-N 2 1 254.462 3.520 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000507472257 1122957423 /nfs/dbraw/zinc/95/74/23/1122957423.db2.gz QPQYPWYMXOHQJB-JONQDZQNSA-N 2 1 254.462 3.520 20 0 CHADMP CCc1cccnc1[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000507527760 1122963269 /nfs/dbraw/zinc/96/32/69/1122963269.db2.gz MYUBIRXMJHPPGS-GDBMZVCRSA-N 2 1 291.483 3.661 20 0 CHADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CC[C@H]3CCC[C@H]3C1)C2 ZINC001167986540 1122978385 /nfs/dbraw/zinc/97/83/85/1122978385.db2.gz GRCIOTUOUIPBDM-AQVVAKNZSA-N 2 1 288.479 3.514 20 0 CHADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@@H+]1CC[C@H]3CCC[C@H]3C1)C2 ZINC001167986540 1122978387 /nfs/dbraw/zinc/97/83/87/1122978387.db2.gz GRCIOTUOUIPBDM-AQVVAKNZSA-N 2 1 288.479 3.514 20 0 CHADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@H+]1CC[C@H]3CCC[C@H]3C1)C2 ZINC001167986540 1122978389 /nfs/dbraw/zinc/97/83/89/1122978389.db2.gz GRCIOTUOUIPBDM-AQVVAKNZSA-N 2 1 288.479 3.514 20 0 CHADMP Clc1ccc(C2([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000334277149 1122980378 /nfs/dbraw/zinc/98/03/78/1122980378.db2.gz DETKWIGIVSCKFP-HOTGVXAUSA-N 2 1 290.838 3.546 20 0 CHADMP Clc1ccc(C2([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000334277149 1122980383 /nfs/dbraw/zinc/98/03/83/1122980383.db2.gz DETKWIGIVSCKFP-HOTGVXAUSA-N 2 1 290.838 3.546 20 0 CHADMP CC[C@H](C[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001199268467 1123025764 /nfs/dbraw/zinc/02/57/64/1123025764.db2.gz YBKYKHGHXMCFMO-KZNAEPCWSA-N 2 1 288.479 3.890 20 0 CHADMP CC[C@H](C[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001199268467 1123025769 /nfs/dbraw/zinc/02/57/69/1123025769.db2.gz YBKYKHGHXMCFMO-KZNAEPCWSA-N 2 1 288.479 3.890 20 0 CHADMP C[C@@H](C[NH2+]C[C@@H](C1CC1)[NH+](C)C)CC1CCCCC1 ZINC001199420548 1123029458 /nfs/dbraw/zinc/02/94/58/1123029458.db2.gz NUUDRYJYPAKSBV-PBHICJAKSA-N 2 1 266.473 3.523 20 0 CHADMP CCC[C@H](C)[C@@H](CC)[NH2+]CCCCn1cc[nH+]c1C ZINC000164660760 1123044803 /nfs/dbraw/zinc/04/48/03/1123044803.db2.gz XWTOMUJICIIBII-GOEBONIOSA-N 2 1 265.445 3.776 20 0 CHADMP C[C@H](CCc1ccccc1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441345210 1123081248 /nfs/dbraw/zinc/08/12/48/1123081248.db2.gz FPUIMIAWDFPZJL-IEBWSBKVSA-N 2 1 288.479 3.814 20 0 CHADMP C[C@H](CCc1ccccc1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441345210 1123081250 /nfs/dbraw/zinc/08/12/50/1123081250.db2.gz FPUIMIAWDFPZJL-IEBWSBKVSA-N 2 1 288.479 3.814 20 0 CHADMP C[C@H](CCc1ccccc1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441345210 1123081254 /nfs/dbraw/zinc/08/12/54/1123081254.db2.gz FPUIMIAWDFPZJL-IEBWSBKVSA-N 2 1 288.479 3.814 20 0 CHADMP CCC(C)(C)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441400943 1123085383 /nfs/dbraw/zinc/08/53/83/1123085383.db2.gz MAVDFNACHTVGJP-RDJZCZTQSA-N 2 1 278.484 3.761 20 0 CHADMP CCC(C)(C)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441400943 1123085386 /nfs/dbraw/zinc/08/53/86/1123085386.db2.gz MAVDFNACHTVGJP-RDJZCZTQSA-N 2 1 278.484 3.761 20 0 CHADMP CCC(C)(C)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441400943 1123085391 /nfs/dbraw/zinc/08/53/91/1123085391.db2.gz MAVDFNACHTVGJP-RDJZCZTQSA-N 2 1 278.484 3.761 20 0 CHADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccccc2)s1 ZINC000579254274 1123087245 /nfs/dbraw/zinc/08/72/45/1123087245.db2.gz CYDUHOOCEZVUCI-ZFWWWQNUSA-N 2 1 286.444 3.727 20 0 CHADMP CC[C@@H](C)[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000049093248 1123098846 /nfs/dbraw/zinc/09/88/46/1123098846.db2.gz WJDBMKWSBGBUJH-SJORKVTESA-N 2 1 288.479 3.718 20 0 CHADMP CC[NH+]1CCC([N@H+](C)C[C@@H](C)CCC=C(C)C)CC1 ZINC001201489883 1123108774 /nfs/dbraw/zinc/10/87/74/1123108774.db2.gz HUMPAMNDSZVUFQ-INIZCTEOSA-N 2 1 266.473 3.785 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](C)CCC=C(C)C)CC1 ZINC001201489883 1123108775 /nfs/dbraw/zinc/10/87/75/1123108775.db2.gz HUMPAMNDSZVUFQ-INIZCTEOSA-N 2 1 266.473 3.785 20 0 CHADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc3ccc(C)cc3o2)C1 ZINC000425924539 1123113552 /nfs/dbraw/zinc/11/35/52/1123113552.db2.gz MVCVXCHDMAEVJH-HUUCEWRRSA-N 2 1 286.419 3.734 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc3ccc(C)cc3o2)C1 ZINC000425924539 1123113556 /nfs/dbraw/zinc/11/35/56/1123113556.db2.gz MVCVXCHDMAEVJH-HUUCEWRRSA-N 2 1 286.419 3.734 20 0 CHADMP CC(C)C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001201471417 1123114966 /nfs/dbraw/zinc/11/49/66/1123114966.db2.gz SPHGQKGQCWITFM-UHFFFAOYSA-N 2 1 292.492 3.692 20 0 CHADMP CC(C)C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001201478637 1123114978 /nfs/dbraw/zinc/11/49/78/1123114978.db2.gz VNUJJSNIBCNZCK-IBGZPJMESA-N 2 1 286.463 3.631 20 0 CHADMP CC(C)C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001201478637 1123114983 /nfs/dbraw/zinc/11/49/83/1123114983.db2.gz VNUJJSNIBCNZCK-IBGZPJMESA-N 2 1 286.463 3.631 20 0 CHADMP CC(C)C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001201478637 1123114984 /nfs/dbraw/zinc/11/49/84/1123114984.db2.gz VNUJJSNIBCNZCK-IBGZPJMESA-N 2 1 286.463 3.631 20 0 CHADMP CCC[C@H](C)C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001201543256 1123117351 /nfs/dbraw/zinc/11/73/51/1123117351.db2.gz OKMFQJQLDSTWIH-HRCADAONSA-N 2 1 292.492 3.548 20 0 CHADMP CCC[C@H](C)C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001201543256 1123117354 /nfs/dbraw/zinc/11/73/54/1123117354.db2.gz OKMFQJQLDSTWIH-HRCADAONSA-N 2 1 292.492 3.548 20 0 CHADMP CCC[C@H](C)C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001201543256 1123117355 /nfs/dbraw/zinc/11/73/55/1123117355.db2.gz OKMFQJQLDSTWIH-HRCADAONSA-N 2 1 292.492 3.548 20 0 CHADMP CCC[C@H](C)C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001201543256 1123117358 /nfs/dbraw/zinc/11/73/58/1123117358.db2.gz OKMFQJQLDSTWIH-HRCADAONSA-N 2 1 292.492 3.548 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)C[C@H](C)CCC)CC1 ZINC001201563925 1123124959 /nfs/dbraw/zinc/12/49/59/1123124959.db2.gz USNGPVIXMMKXKP-OAHLLOKOSA-N 2 1 254.462 3.619 20 0 CHADMP CC(C)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001201617115 1123132104 /nfs/dbraw/zinc/13/21/04/1123132104.db2.gz DOUVRKORLQYXQN-GUDVDZBRSA-N 2 1 286.463 3.533 20 0 CHADMP CC(C)CC[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001201623787 1123132505 /nfs/dbraw/zinc/13/25/05/1123132505.db2.gz MMAYABAZKZUOPA-UHFFFAOYSA-N 2 1 274.452 3.629 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C[C@@H]1c1ccccc1 ZINC000414344029 1129101297 /nfs/dbraw/zinc/10/12/97/1129101297.db2.gz KCOKMQGGRLQBSS-BSDSXHPESA-N 2 1 296.414 3.561 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C[C@@H]1c1ccccc1 ZINC000414344029 1129101300 /nfs/dbraw/zinc/10/13/00/1129101300.db2.gz KCOKMQGGRLQBSS-BSDSXHPESA-N 2 1 296.414 3.561 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000246922471 1123140017 /nfs/dbraw/zinc/14/00/17/1123140017.db2.gz GNRAGLSMTBIWCM-KSSFIOAISA-N 2 1 290.426 3.523 20 0 CHADMP CC[NH+](CC)CCC[N@H+](CC)[C@@H](C)c1cccc(O)c1 ZINC000190574626 1123154457 /nfs/dbraw/zinc/15/44/57/1123154457.db2.gz UYAOZRPVADAMTB-HNNXBMFYSA-N 2 1 278.440 3.507 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](CC)[C@@H](C)c1cccc(O)c1 ZINC000190574626 1123154458 /nfs/dbraw/zinc/15/44/58/1123154458.db2.gz UYAOZRPVADAMTB-HNNXBMFYSA-N 2 1 278.440 3.507 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001201982461 1123160678 /nfs/dbraw/zinc/16/06/78/1123160678.db2.gz UJGBOZOWFRVMPW-KZNAEPCWSA-N 2 1 278.484 3.643 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001201970925 1123165151 /nfs/dbraw/zinc/16/51/51/1123165151.db2.gz BEBIFVVTIPJKFY-KSZLIROESA-N 2 1 278.484 3.643 20 0 CHADMP CC(C)=CCC[C@H](C)CC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001201970925 1123165153 /nfs/dbraw/zinc/16/51/53/1123165153.db2.gz BEBIFVVTIPJKFY-KSZLIROESA-N 2 1 278.484 3.643 20 0 CHADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CC4CCCC4)CC[C@@H]3C2)cc1 ZINC001202189938 1123184766 /nfs/dbraw/zinc/18/47/66/1123184766.db2.gz GUXXHEHVYFQDPF-WOJBJXKFSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CC4CCCC4)CC[C@@H]3C2)cc1 ZINC001202189938 1123184767 /nfs/dbraw/zinc/18/47/67/1123184767.db2.gz GUXXHEHVYFQDPF-WOJBJXKFSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](CC4CCCC4)CC[C@@H]3C2)cc1 ZINC001202189938 1123184771 /nfs/dbraw/zinc/18/47/71/1123184771.db2.gz GUXXHEHVYFQDPF-WOJBJXKFSA-N 2 1 298.474 3.631 20 0 CHADMP C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000320819480 1123232897 /nfs/dbraw/zinc/23/28/97/1123232897.db2.gz FBJIQBLUONKGJN-RYGJVYDSSA-N 2 1 294.442 3.832 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC000311570772 1129110400 /nfs/dbraw/zinc/11/04/00/1129110400.db2.gz MJYAMUQSLJSADO-INIZCTEOSA-N 2 1 266.473 3.523 20 0 CHADMP CC(C)CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccoc1 ZINC000428217986 1123283327 /nfs/dbraw/zinc/28/33/27/1123283327.db2.gz IQAQTHDFKNRVIJ-CRAIPNDOSA-N 2 1 290.451 3.831 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](F)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012972 1123299294 /nfs/dbraw/zinc/29/92/94/1123299294.db2.gz GMEVYWBVWVWFCK-VPNALOTQSA-N 2 1 290.426 3.518 20 0 CHADMP Clc1ccc2c(c1)[C@H]([NH2+]C1CC[NH2+]CC1)CCCS2 ZINC000335566230 1123380842 /nfs/dbraw/zinc/38/08/42/1123380842.db2.gz DMJBBNPFEDJMAW-CQSZACIVSA-N 2 1 296.867 3.609 20 0 CHADMP C[C@H](CC(C)(C)C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853240246 1123429150 /nfs/dbraw/zinc/42/91/50/1123429150.db2.gz NRODDDNKPPFWHZ-GDBMZVCRSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCC2CCCCC2)CCN1C ZINC000428284963 1123443028 /nfs/dbraw/zinc/44/30/28/1123443028.db2.gz MWNJGMHQAYZCAV-WBVHZDCISA-N 2 1 266.473 3.761 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)CCCC2CCCCC2)CC[N@@H+]1C ZINC000428284963 1123443030 /nfs/dbraw/zinc/44/30/30/1123443030.db2.gz MWNJGMHQAYZCAV-WBVHZDCISA-N 2 1 266.473 3.761 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)CCCC2CCCCC2)CC[N@H+]1C ZINC000428284963 1123443033 /nfs/dbraw/zinc/44/30/33/1123443033.db2.gz MWNJGMHQAYZCAV-WBVHZDCISA-N 2 1 266.473 3.761 20 0 CHADMP C[C@@H]1C[C@@H]([N@H+](C)CCCC2CCCCC2)CC[NH+]1C ZINC000428284963 1123443037 /nfs/dbraw/zinc/44/30/37/1123443037.db2.gz MWNJGMHQAYZCAV-WBVHZDCISA-N 2 1 266.473 3.761 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCC2CCCCC2)CC[NH+]1C ZINC000428284963 1123443039 /nfs/dbraw/zinc/44/30/39/1123443039.db2.gz MWNJGMHQAYZCAV-WBVHZDCISA-N 2 1 266.473 3.761 20 0 CHADMP CCc1ccc(CNCCC[N@@H+](C)C2CCCCC2)o1 ZINC000051724541 1123469995 /nfs/dbraw/zinc/46/99/95/1123469995.db2.gz JDBIQMSLLUXDNQ-UHFFFAOYSA-N 2 1 278.440 3.586 20 0 CHADMP CC[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1cccs1 ZINC000052206034 1123478990 /nfs/dbraw/zinc/47/89/90/1123478990.db2.gz OVDMHWBQDAUBCG-KBPBESRZSA-N 2 1 266.454 3.663 20 0 CHADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC000052334967 1123479542 /nfs/dbraw/zinc/47/95/42/1123479542.db2.gz OKIDSAZOBKXFMV-HMQMGEFJSA-N 2 1 264.457 3.560 20 0 CHADMP CC(C)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000052381686 1123481712 /nfs/dbraw/zinc/48/17/12/1123481712.db2.gz IRVXSHAYRNZMMD-MRXNPFEDSA-N 2 1 274.452 3.664 20 0 CHADMP CC(C)C[C@@H](C[N@H+]1CC[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000474277477 1123500440 /nfs/dbraw/zinc/50/04/40/1123500440.db2.gz SYQMHLRIYPZEAR-MJGOQNOKSA-N 2 1 288.479 3.700 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](c2ccccc2)C(C)C)C1 ZINC000474604005 1123557797 /nfs/dbraw/zinc/55/77/97/1123557797.db2.gz PYMCCEIBJHDQEA-PKOBYXMFSA-N 2 1 288.479 3.748 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)CC2CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039354 1123560672 /nfs/dbraw/zinc/56/06/72/1123560672.db2.gz DNQOIRQFQCTXNP-HGKCTWBKSA-N 2 1 286.463 3.770 20 0 CHADMP C[C@@H]1C[C@@H]([N@H+](C)CC2CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039354 1123560676 /nfs/dbraw/zinc/56/06/76/1123560676.db2.gz DNQOIRQFQCTXNP-HGKCTWBKSA-N 2 1 286.463 3.770 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039354 1123560679 /nfs/dbraw/zinc/56/06/79/1123560679.db2.gz DNQOIRQFQCTXNP-HGKCTWBKSA-N 2 1 286.463 3.770 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]2C2CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039967 1123563713 /nfs/dbraw/zinc/56/37/13/1123563713.db2.gz JCTSMBXUJPKFEO-RFGKEDTNSA-N 2 1 298.474 3.816 20 0 CHADMP CC(C)=CCC[C@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000157985023 1129135850 /nfs/dbraw/zinc/13/58/50/1129135850.db2.gz OUIJPZRPUIQQRH-KRWDZBQOSA-N 2 1 296.499 3.600 20 0 CHADMP CC(C)[C@@H](C)[N@@H+](Cc1cc(-n2ccnc2)cs1)C1CC1 ZINC000346129101 1123665197 /nfs/dbraw/zinc/66/51/97/1123665197.db2.gz FZMCOSUXSOVQJK-CYBMUJFWSA-N 2 1 289.448 3.943 20 0 CHADMP CCc1oc2ccccc2c1C[N@H+](C)CCn1cc[nH+]c1C ZINC000346240923 1123674479 /nfs/dbraw/zinc/67/44/79/1123674479.db2.gz QJAJGDVRFFCBLM-UHFFFAOYSA-N 2 1 297.402 3.632 20 0 CHADMP CCc1oc2ccccc2c1C[N@@H+](C)CCn1cc[nH+]c1C ZINC000346240923 1123674480 /nfs/dbraw/zinc/67/44/80/1123674480.db2.gz QJAJGDVRFFCBLM-UHFFFAOYSA-N 2 1 297.402 3.632 20 0 CHADMP Cc1nccn1CC[N@H+](C)C1CCC(C(C)(C)C)CC1 ZINC000346312177 1123679470 /nfs/dbraw/zinc/67/94/70/1123679470.db2.gz OQODDGPUOXRCOM-UHFFFAOYSA-N 2 1 277.456 3.728 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](C)C1CCC(C(C)(C)C)CC1 ZINC000346312177 1123679472 /nfs/dbraw/zinc/67/94/72/1123679472.db2.gz OQODDGPUOXRCOM-UHFFFAOYSA-N 2 1 277.456 3.728 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](C)C1CCC(C(C)(C)C)CC1 ZINC000346312177 1123679475 /nfs/dbraw/zinc/67/94/75/1123679475.db2.gz OQODDGPUOXRCOM-UHFFFAOYSA-N 2 1 277.456 3.728 20 0 CHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H]2CCC(F)(F)C2)cc1 ZINC000859212762 1123690106 /nfs/dbraw/zinc/69/01/06/1123690106.db2.gz ONAGKVZQSDNBCK-MRXNPFEDSA-N 2 1 296.405 3.615 20 0 CHADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)cs2)C1 ZINC000346650551 1123701126 /nfs/dbraw/zinc/70/11/26/1123701126.db2.gz PQBKCOCVGWCLMW-DZGCQCFKSA-N 2 1 286.444 3.584 20 0 CHADMP Cc1ccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)cc1Cl ZINC000443978492 1123716376 /nfs/dbraw/zinc/71/63/76/1123716376.db2.gz LLECMAUGDAJNHK-UHFFFAOYSA-N 2 1 294.870 3.858 20 0 CHADMP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000158226367 1129141231 /nfs/dbraw/zinc/14/12/31/1129141231.db2.gz HQIQIMJLEZFMLA-OALUTQOASA-N 2 1 288.479 3.575 20 0 CHADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc2ccccc2s1 ZINC000275869379 1129141598 /nfs/dbraw/zinc/14/15/98/1129141598.db2.gz NZUPZBWZKACGMQ-ZDUSSCGKSA-N 2 1 286.444 3.814 20 0 CHADMP CC(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000192641347 1123745566 /nfs/dbraw/zinc/74/55/66/1123745566.db2.gz SZVZBUZJWWXYDE-IPQPSQTFSA-N 2 1 286.463 3.641 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000309806614 1123773844 /nfs/dbraw/zinc/77/38/44/1123773844.db2.gz USMWZSDCIACFNJ-FPAYPSAMSA-N 2 1 286.463 3.533 20 0 CHADMP Cc1cc(Cl)ccc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000475124890 1123797653 /nfs/dbraw/zinc/79/76/53/1123797653.db2.gz LBTSYXBZYZSRFT-UHFFFAOYSA-N 2 1 292.854 3.709 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C(C2CC2)C2CC2)C1 ZINC000158569218 1129147367 /nfs/dbraw/zinc/14/73/67/1129147367.db2.gz UBJLXJINOLVTLN-GASCZTMLSA-N 2 1 278.484 3.523 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CC[C@@H](C)c2ccccc2)C1 ZINC000043534256 1123820216 /nfs/dbraw/zinc/82/02/16/1123820216.db2.gz RBZPSXXIIVDTMZ-SJORKVTESA-N 2 1 274.452 3.500 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000475340143 1123844678 /nfs/dbraw/zinc/84/46/78/1123844678.db2.gz XAPKPUGPSWKQJS-ZIAGYGMSSA-N 2 1 282.859 3.591 20 0 CHADMP CCc1cc(N(C)C[C@@H]2CCC[N@@H+](C)C2)c2ccccc2[nH+]1 ZINC000301790579 1123933176 /nfs/dbraw/zinc/93/31/76/1123933176.db2.gz NGYRXMQNGUCCBV-OAHLLOKOSA-N 2 1 297.446 3.575 20 0 CHADMP Cc1cc(NCc2ccccc2C[N@H+](C)C(C)C)cc[nH+]1 ZINC000302223974 1123962316 /nfs/dbraw/zinc/96/23/16/1123962316.db2.gz QAURCAGVVWQIPF-UHFFFAOYSA-N 2 1 283.419 3.842 20 0 CHADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000221815653 1124035369 /nfs/dbraw/zinc/03/53/69/1124035369.db2.gz IOPBIXIKLGPBAE-HOTGVXAUSA-N 2 1 292.442 3.611 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCc2cccc3cccc1c32 ZINC000866250433 1124041397 /nfs/dbraw/zinc/04/13/97/1124041397.db2.gz AOXCCDHVHQUPDH-GOSISDBHSA-N 2 1 291.398 3.622 20 0 CHADMP CC[C@@H]1CCCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000444594546 1124043860 /nfs/dbraw/zinc/04/38/60/1124043860.db2.gz INSYRMCRTMRFQE-MRXNPFEDSA-N 2 1 252.446 3.517 20 0 CHADMP CC(C)[C@H]([NH2+]CC[C@@H](C)[NH+]1CCCCC1)c1ccccn1 ZINC000866338547 1124054009 /nfs/dbraw/zinc/05/40/09/1124054009.db2.gz TVJLDGKIBINIIJ-AEFFLSMTSA-N 2 1 289.467 3.633 20 0 CHADMP C1CC1[NH+]1CCC([NH2+][C@H]2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000714267186 1124088398 /nfs/dbraw/zinc/08/83/98/1124088398.db2.gz IYWPYOHDWIFMFF-OLMNPRSZSA-N 2 1 276.468 3.562 20 0 CHADMP C[C@@H](CC1CCCCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000447058550 1124131337 /nfs/dbraw/zinc/13/13/37/1124131337.db2.gz UROLOEPFRDYNNB-BHYGNILZSA-N 2 1 264.457 3.562 20 0 CHADMP CC1CC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000621384786 1129170031 /nfs/dbraw/zinc/17/00/31/1129170031.db2.gz ULLROKVYTWSJGA-NKELODKYSA-N 2 1 298.474 3.819 20 0 CHADMP CC1CC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000621384786 1129170033 /nfs/dbraw/zinc/17/00/33/1129170033.db2.gz ULLROKVYTWSJGA-NKELODKYSA-N 2 1 298.474 3.819 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCC(C(C)(C)C)CC2)C1 ZINC000525703535 1124457860 /nfs/dbraw/zinc/45/78/60/1124457860.db2.gz VSVIPIYWWXLIND-KLAILNCOSA-N 2 1 280.500 3.913 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000447600441 1124499548 /nfs/dbraw/zinc/49/95/48/1124499548.db2.gz LZQGZPQKEJLDQS-MTEHYEEQSA-N 2 1 298.474 3.960 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](C)c2ccc(F)cc2)C1 ZINC000526118971 1124512398 /nfs/dbraw/zinc/51/23/98/1124512398.db2.gz BYFRQMNAFSGTPR-JKSUJKDBSA-N 2 1 292.442 3.639 20 0 CHADMP CC(C)=CC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000527299411 1124565656 /nfs/dbraw/zinc/56/56/56/1124565656.db2.gz NNKPFERFQPKBHT-DZFIZOCASA-N 2 1 286.463 3.699 20 0 CHADMP CC(C)CCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000527354876 1124572653 /nfs/dbraw/zinc/57/26/53/1124572653.db2.gz BXCVHYBFSCWJIB-JKSUJKDBSA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000448551797 1124584232 /nfs/dbraw/zinc/58/42/32/1124584232.db2.gz WCKKGPQPICMLIH-VQTPCSAVSA-N 2 1 278.484 3.806 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2C[C@H](C)CC[C@@H]2C)C1 ZINC000449129622 1124653412 /nfs/dbraw/zinc/65/34/12/1124653412.db2.gz CYNZLLUTJXIFBG-QZWWFDLISA-N 2 1 266.473 3.521 20 0 CHADMP C/C(Cl)=C\CN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000528381638 1124654369 /nfs/dbraw/zinc/65/43/69/1124654369.db2.gz NPYKAPUUUDBTIR-HVJILKDESA-N 2 1 284.875 3.715 20 0 CHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cccs1 ZINC000019913054 1124666057 /nfs/dbraw/zinc/66/60/57/1124666057.db2.gz WLHANWMXSINUEL-KGLIPLIRSA-N 2 1 266.454 3.663 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000449211247 1124669342 /nfs/dbraw/zinc/66/93/42/1124669342.db2.gz RTIJFWKPDXYYEK-IAGOWNOFSA-N 2 1 278.484 3.667 20 0 CHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cccc4ccoc43)C2)CC1 ZINC000449325587 1124689847 /nfs/dbraw/zinc/68/98/47/1124689847.db2.gz NVWWXCBYVBETMA-KRWDZBQOSA-N 2 1 298.430 3.597 20 0 CHADMP CC(C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2C2CC2)CC1 ZINC000872417102 1124713878 /nfs/dbraw/zinc/71/38/78/1124713878.db2.gz KTUKVGAYKRMTAW-UHFFFAOYSA-N 2 1 287.451 3.516 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449739679 1124857344 /nfs/dbraw/zinc/85/73/44/1124857344.db2.gz BVYXSAARJYVLKO-TTYHFUOFSA-N 2 1 298.474 3.533 20 0 CHADMP CC(C)=CCC[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000126348122 1125010824 /nfs/dbraw/zinc/01/08/24/1125010824.db2.gz WYDDUOWXVJGXFB-OAHLLOKOSA-N 2 1 298.434 3.800 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC000450460817 1125035326 /nfs/dbraw/zinc/03/53/26/1125035326.db2.gz RBHLSBFDEJWSAQ-YRVHBARZSA-N 2 1 286.463 3.754 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCC2=CCCCC2)C[C@H]1C ZINC000450464653 1125036691 /nfs/dbraw/zinc/03/66/91/1125036691.db2.gz AODAKNWBCVQHNL-WBVHZDCISA-N 2 1 264.457 3.682 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCC2=CCCCC2)C[C@H]1C ZINC000450464653 1125036696 /nfs/dbraw/zinc/03/66/96/1125036696.db2.gz AODAKNWBCVQHNL-WBVHZDCISA-N 2 1 264.457 3.682 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC2=CCCCC2)C[C@H]1C ZINC000450464653 1125036701 /nfs/dbraw/zinc/03/67/01/1125036701.db2.gz AODAKNWBCVQHNL-WBVHZDCISA-N 2 1 264.457 3.682 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CC/C=C\c2ccccc2)C[C@@H]1C ZINC000450472008 1125038854 /nfs/dbraw/zinc/03/88/54/1125038854.db2.gz WYSMHOPNBHNFBO-BMWKMLHNSA-N 2 1 286.463 3.895 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CC/C=C\c2ccccc2)C[C@@H]1C ZINC000450472008 1125038861 /nfs/dbraw/zinc/03/88/61/1125038861.db2.gz WYSMHOPNBHNFBO-BMWKMLHNSA-N 2 1 286.463 3.895 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000121439022 1125121458 /nfs/dbraw/zinc/12/14/58/1125121458.db2.gz SLPIJNXFAPVWEQ-GJZGRUSLSA-N 2 1 297.446 3.667 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H]2CCCC2(F)F)C[C@H]1C ZINC000878163831 1125125606 /nfs/dbraw/zinc/12/56/06/1125125606.db2.gz XGQCWYHQJOWJCC-KFWWJZLASA-N 2 1 288.426 3.617 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H]2CCCC2(F)F)C[C@H]1C ZINC000878163831 1125125610 /nfs/dbraw/zinc/12/56/10/1125125610.db2.gz XGQCWYHQJOWJCC-KFWWJZLASA-N 2 1 288.426 3.617 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCC[C@@H]2C2CCCCC2)CC1 ZINC000392232363 1125143027 /nfs/dbraw/zinc/14/30/27/1125143027.db2.gz SMNKLKLADPSHLR-RTBURBONSA-N 2 1 290.495 3.977 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)cc(C)cc2C)C1 ZINC000531140239 1125197051 /nfs/dbraw/zinc/19/70/51/1125197051.db2.gz OEMYAYBAKRPEMU-GOSISDBHSA-N 2 1 288.479 3.776 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)cc(C)cc2C)C1 ZINC000531140239 1125197054 /nfs/dbraw/zinc/19/70/54/1125197054.db2.gz OEMYAYBAKRPEMU-GOSISDBHSA-N 2 1 288.479 3.776 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)cc(C)cc2C)C1 ZINC000531140239 1125197056 /nfs/dbraw/zinc/19/70/56/1125197056.db2.gz OEMYAYBAKRPEMU-GOSISDBHSA-N 2 1 288.479 3.776 20 0 CHADMP CC[N@H+]1CC[C@H](N(C)C/C=C\c2ccccc2)C[C@@H]1C ZINC000531381985 1125213707 /nfs/dbraw/zinc/21/37/07/1125213707.db2.gz QVAVCBJWJMQQIU-QUZNCXEESA-N 2 1 272.436 3.504 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)C/C=C\c2ccccc2)C[C@@H]1C ZINC000531381985 1125213711 /nfs/dbraw/zinc/21/37/11/1125213711.db2.gz QVAVCBJWJMQQIU-QUZNCXEESA-N 2 1 272.436 3.504 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C/C=C\c2ccccc2)C[C@@H]1C ZINC000531381985 1125213714 /nfs/dbraw/zinc/21/37/14/1125213714.db2.gz QVAVCBJWJMQQIU-QUZNCXEESA-N 2 1 272.436 3.504 20 0 CHADMP CC[C@H](C)[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000532192995 1125238095 /nfs/dbraw/zinc/23/80/95/1125238095.db2.gz CAYZPBVTFVSAGG-ARFHVFGLSA-N 2 1 254.462 3.665 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCC1CCCCC1 ZINC000532195351 1125239430 /nfs/dbraw/zinc/23/94/30/1125239430.db2.gz FFDRREHIQNHSQJ-BFYDXBDKSA-N 2 1 266.473 3.665 20 0 CHADMP CCC(CC)(CC)C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000628425666 1125244675 /nfs/dbraw/zinc/24/46/75/1125244675.db2.gz RDUOJAXVDQXDDQ-OAHLLOKOSA-N 2 1 254.462 3.524 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2ccsc2[C@H]1C ZINC000880377484 1125269307 /nfs/dbraw/zinc/26/93/07/1125269307.db2.gz XHOICTUCWJTUCM-CYBMUJFWSA-N 2 1 289.448 3.653 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2ccsc2[C@H]1C ZINC000880377484 1125269310 /nfs/dbraw/zinc/26/93/10/1125269310.db2.gz XHOICTUCWJTUCM-CYBMUJFWSA-N 2 1 289.448 3.653 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880539213 1125278685 /nfs/dbraw/zinc/27/86/85/1125278685.db2.gz SKVRSFAENZHYGG-LPHOPBHVSA-N 2 1 295.430 3.906 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880539213 1125278689 /nfs/dbraw/zinc/27/86/89/1125278689.db2.gz SKVRSFAENZHYGG-LPHOPBHVSA-N 2 1 295.430 3.906 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C=CCCC1 ZINC000398047829 1125333214 /nfs/dbraw/zinc/33/32/14/1125333214.db2.gz WMKZRXPUYSAUPP-NEWSRXKRSA-N 2 1 284.447 3.595 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C=CCCC1 ZINC000398047829 1125333216 /nfs/dbraw/zinc/33/32/16/1125333216.db2.gz WMKZRXPUYSAUPP-NEWSRXKRSA-N 2 1 284.447 3.595 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C(C2CCCC2)C2CCCC2)CC[N@@H+]1C ZINC000129860481 1125352862 /nfs/dbraw/zinc/35/28/62/1125352862.db2.gz RNWVVXOLCZPJAK-RHSMWYFYSA-N 2 1 278.484 3.808 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C(C2CCCC2)C2CCCC2)CC[N@H+]1C ZINC000129860481 1125352864 /nfs/dbraw/zinc/35/28/64/1125352864.db2.gz RNWVVXOLCZPJAK-RHSMWYFYSA-N 2 1 278.484 3.808 20 0 CHADMP COc1cc(C)ccc1[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000037229348 1125364778 /nfs/dbraw/zinc/36/47/78/1125364778.db2.gz DOCAWVFIGWJZJX-INIZCTEOSA-N 2 1 290.451 3.530 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1sccc1Cl ZINC000883172169 1125375061 /nfs/dbraw/zinc/37/50/61/1125375061.db2.gz YPOUXWVGHHHSOM-BXUZGUMPSA-N 2 1 298.883 3.927 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1sccc1Cl ZINC000883172169 1125375063 /nfs/dbraw/zinc/37/50/63/1125375063.db2.gz YPOUXWVGHHHSOM-BXUZGUMPSA-N 2 1 298.883 3.927 20 0 CHADMP C/C=C\C[C@@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000626161717 1125377490 /nfs/dbraw/zinc/37/74/90/1125377490.db2.gz IERIWJFJBUFZAV-NMBNSIPYSA-N 2 1 264.457 3.539 20 0 CHADMP C/C=C\C[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000626161717 1125377492 /nfs/dbraw/zinc/37/74/92/1125377492.db2.gz IERIWJFJBUFZAV-NMBNSIPYSA-N 2 1 264.457 3.539 20 0 CHADMP C/C=C\C[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000626161717 1125377494 /nfs/dbraw/zinc/37/74/94/1125377494.db2.gz IERIWJFJBUFZAV-NMBNSIPYSA-N 2 1 264.457 3.539 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)c2c(C)cc(C)cc2C)C1 ZINC000040592953 1125388851 /nfs/dbraw/zinc/38/88/51/1125388851.db2.gz HGZNRVQOEGSORY-IAGOWNOFSA-N 2 1 274.452 3.604 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCc2c1cccc2Cl ZINC000532454266 1125389155 /nfs/dbraw/zinc/38/91/55/1125389155.db2.gz HHWQWRKQSFMTRA-INIZCTEOSA-N 2 1 280.843 3.647 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCc2c1cccc2Cl ZINC000532454266 1125389158 /nfs/dbraw/zinc/38/91/58/1125389158.db2.gz HHWQWRKQSFMTRA-INIZCTEOSA-N 2 1 280.843 3.647 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CC(c3cccc(Cl)c3)C2)C1 ZINC000044533518 1125394500 /nfs/dbraw/zinc/39/45/00/1125394500.db2.gz FKRMOFNUQGHISD-KTAKPFMOSA-N 2 1 292.854 3.517 20 0 CHADMP C[C@@H]1C[C@H](C)[NH+](CCCCC[N@H+]2C[C@H](C)C[C@@H]2C)C1 ZINC000532574962 1125416245 /nfs/dbraw/zinc/41/62/45/1125416245.db2.gz MVTMJUIXPGLJSD-NCOADZHNSA-N 2 1 266.473 3.617 20 0 CHADMP Cc1ccc([C@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)s1 ZINC000124020468 1125434437 /nfs/dbraw/zinc/43/44/37/1125434437.db2.gz CKIIULIKIXGELX-LSDHHAIUSA-N 2 1 278.465 3.678 20 0 CHADMP Cc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)s1 ZINC000124020468 1125434439 /nfs/dbraw/zinc/43/44/39/1125434439.db2.gz CKIIULIKIXGELX-LSDHHAIUSA-N 2 1 278.465 3.678 20 0 CHADMP CC[C@H](Cc1ccccc1)[N@H+](C)CCCCn1cc[nH+]c1C ZINC000124425241 1125438911 /nfs/dbraw/zinc/43/89/11/1125438911.db2.gz ZUVLLNTYSSITMC-LJQANCHMSA-N 2 1 299.462 3.925 20 0 CHADMP CC[C@H](Cc1ccccc1)[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000124425241 1125438914 /nfs/dbraw/zinc/43/89/14/1125438914.db2.gz ZUVLLNTYSSITMC-LJQANCHMSA-N 2 1 299.462 3.925 20 0 CHADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](C)c1cccc(OC)c1 ZINC000124929178 1125442659 /nfs/dbraw/zinc/44/26/59/1125442659.db2.gz HTOZYCSPZSAADN-RDJZCZTQSA-N 2 1 290.451 3.562 20 0 CHADMP CC[C@H]1c2ccsc2CCN1CC[C@@H]1CCC[N@H+]1C ZINC000124926133 1125443250 /nfs/dbraw/zinc/44/32/50/1125443250.db2.gz USKOMTPNBBBKMI-ZFWWWQNUSA-N 2 1 278.465 3.542 20 0 CHADMP CC[C@H]1c2ccsc2CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000124926133 1125443253 /nfs/dbraw/zinc/44/32/53/1125443253.db2.gz USKOMTPNBBBKMI-ZFWWWQNUSA-N 2 1 278.465 3.542 20 0 CHADMP CC[C@H]1c2ccsc2CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000124926133 1125443256 /nfs/dbraw/zinc/44/32/56/1125443256.db2.gz USKOMTPNBBBKMI-ZFWWWQNUSA-N 2 1 278.465 3.542 20 0 CHADMP CC[NH+]1CCC([N@H+](C)Cc2c(C)oc3ccccc32)CC1 ZINC000125242791 1125446008 /nfs/dbraw/zinc/44/60/08/1125446008.db2.gz FGADKCKMKQHTJO-UHFFFAOYSA-N 2 1 286.419 3.657 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)Cc2c(C)oc3ccccc32)CC1 ZINC000125242791 1125446012 /nfs/dbraw/zinc/44/60/12/1125446012.db2.gz FGADKCKMKQHTJO-UHFFFAOYSA-N 2 1 286.419 3.657 20 0 CHADMP CCCc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000621727545 1129186444 /nfs/dbraw/zinc/18/64/44/1129186444.db2.gz IENYVVCMVAGMQF-YIONKMFJSA-N 2 1 292.492 3.758 20 0 CHADMP CCCc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)s1 ZINC000621727545 1129186446 /nfs/dbraw/zinc/18/64/46/1129186446.db2.gz IENYVVCMVAGMQF-YIONKMFJSA-N 2 1 292.492 3.758 20 0 CHADMP CCCc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000621727545 1129186452 /nfs/dbraw/zinc/18/64/52/1129186452.db2.gz IENYVVCMVAGMQF-YIONKMFJSA-N 2 1 292.492 3.758 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1CCCCC1 ZINC000164341454 1129208242 /nfs/dbraw/zinc/20/82/42/1129208242.db2.gz FNQWECGSGJTYMZ-OIISXLGYSA-N 2 1 266.473 3.808 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CCCCC1 ZINC000164341454 1129208244 /nfs/dbraw/zinc/20/82/44/1129208244.db2.gz FNQWECGSGJTYMZ-OIISXLGYSA-N 2 1 266.473 3.808 20 0 CHADMP CSC(C)(C)C[C@H](C)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001258331426 1129208571 /nfs/dbraw/zinc/20/85/71/1129208571.db2.gz NXXMQGYDJBOGJS-LSDHHAIUSA-N 2 1 286.529 3.748 20 0 CHADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cc(Cl)ccc1Cl ZINC000298218480 1129227514 /nfs/dbraw/zinc/22/75/14/1129227514.db2.gz ADWIIHJWDVBRQK-SNVBAGLBSA-N 2 1 298.217 3.620 20 0 CHADMP Cc1scc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1C ZINC000638136406 1129245256 /nfs/dbraw/zinc/24/52/56/1129245256.db2.gz YOHQPSSAZAYUCN-INIZCTEOSA-N 2 1 292.492 3.529 20 0 CHADMP Cc1scc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1C ZINC000638136406 1129245259 /nfs/dbraw/zinc/24/52/59/1129245259.db2.gz YOHQPSSAZAYUCN-INIZCTEOSA-N 2 1 292.492 3.529 20 0 CHADMP Cc1scc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1C ZINC000638136406 1129245262 /nfs/dbraw/zinc/24/52/62/1129245262.db2.gz YOHQPSSAZAYUCN-INIZCTEOSA-N 2 1 292.492 3.529 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CS[C@H](C)C1 ZINC000638853797 1129272876 /nfs/dbraw/zinc/27/28/76/1129272876.db2.gz KBCYHWBOHZJLPI-RHSMWYFYSA-N 2 1 292.492 3.510 20 0 CHADMP CSc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000348043626 1129275909 /nfs/dbraw/zinc/27/59/09/1129275909.db2.gz OAZAKDJLOQHWLM-DYEKYZERSA-N 2 1 296.455 3.681 20 0 CHADMP C[C@H]([NH2+][C@H]1CCC12CCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000282661153 1129275930 /nfs/dbraw/zinc/27/59/30/1129275930.db2.gz INTRYAKMSQNAOE-UHOSZYNNSA-N 2 1 298.474 3.819 20 0 CHADMP CCC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(F)cc1 ZINC000348070247 1129276821 /nfs/dbraw/zinc/27/68/21/1129276821.db2.gz IUQORSYIYMACHS-KRWDZBQOSA-N 2 1 278.415 3.522 20 0 CHADMP CCC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(F)cc1 ZINC000348070247 1129276823 /nfs/dbraw/zinc/27/68/23/1129276823.db2.gz IUQORSYIYMACHS-KRWDZBQOSA-N 2 1 278.415 3.522 20 0 CHADMP CCC[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccc(F)cc1 ZINC000348070247 1129276824 /nfs/dbraw/zinc/27/68/24/1129276824.db2.gz IUQORSYIYMACHS-KRWDZBQOSA-N 2 1 278.415 3.522 20 0 CHADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3C[C@H]4C[C@H]4C3)CC[N@H+]2C2CC2)cc1 ZINC000639281490 1129299279 /nfs/dbraw/zinc/29/92/79/1129299279.db2.gz UOESJYZLURYOAR-STEXWYFWSA-N 2 1 296.458 3.743 20 0 CHADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3C[C@H]4C[C@H]4C3)CC[N@@H+]2C2CC2)cc1 ZINC000639281490 1129299284 /nfs/dbraw/zinc/29/92/84/1129299284.db2.gz UOESJYZLURYOAR-STEXWYFWSA-N 2 1 296.458 3.743 20 0 CHADMP CCC1([NH+](C)C)CC[NH+](Cc2coc3ccccc23)CC1 ZINC000639378491 1129308484 /nfs/dbraw/zinc/30/84/84/1129308484.db2.gz FCPFIIOTCWCJQY-UHFFFAOYSA-N 2 1 286.419 3.739 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757622 1129332047 /nfs/dbraw/zinc/33/20/47/1129332047.db2.gz JUQNUTWFYPKZQT-AWEZNQCLSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000738312097 1129393023 /nfs/dbraw/zinc/39/30/23/1129393023.db2.gz OFAPMXVOYXYMNZ-CYBMUJFWSA-N 2 1 280.843 3.675 20 0 CHADMP CC(C)[C@H](C[NH2+]C[C@H]1CC=CCC1)[NH+]1CCC(C)CC1 ZINC000642342113 1129415212 /nfs/dbraw/zinc/41/52/12/1129415212.db2.gz KVXPYCMAGFGLCL-ROUUACIJSA-N 2 1 278.484 3.689 20 0 CHADMP CCCCCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000740876719 1129422986 /nfs/dbraw/zinc/42/29/86/1129422986.db2.gz AOTIMGSDCFMVAY-UHFFFAOYSA-N 2 1 254.462 3.619 20 0 CHADMP CC[NH2+]CCC[NH2+][C@H](C)c1oc2ccccc2c1CC ZINC000643499070 1129443288 /nfs/dbraw/zinc/44/32/88/1129443288.db2.gz QMHHQXRRIFPKQZ-CYBMUJFWSA-N 2 1 274.408 3.645 20 0 CHADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(-c2c(F)cccc2F)cc1 ZINC000643527637 1129444470 /nfs/dbraw/zinc/44/44/70/1129444470.db2.gz PWDLDQSWPWKBDT-VXGBXAGGSA-N 2 1 290.357 3.630 20 0 CHADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2ccccc2)CC[N@H+]1C ZINC000742374754 1129475606 /nfs/dbraw/zinc/47/56/06/1129475606.db2.gz FWUQJSRYXDZLSQ-QFBILLFUSA-N 2 1 294.442 3.926 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC(C)(C)C1 ZINC001258687246 1129501288 /nfs/dbraw/zinc/50/12/88/1129501288.db2.gz OAEIXLVNDAXGFD-PMPSAXMXSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)C1CCCCC1 ZINC000796276185 1129511071 /nfs/dbraw/zinc/51/10/71/1129511071.db2.gz LIKYYHHAAZSIRL-ZDUSSCGKSA-N 2 1 295.496 3.511 20 0 CHADMP CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000796284150 1129513058 /nfs/dbraw/zinc/51/30/58/1129513058.db2.gz KBDGESDAXJLOLP-HIFRSBDPSA-N 2 1 295.496 3.653 20 0 CHADMP C[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)CC(F)F ZINC000647225361 1129558457 /nfs/dbraw/zinc/55/84/57/1129558457.db2.gz BHAIQSXEDGFVAY-AWEZNQCLSA-N 2 1 296.405 3.532 20 0 CHADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000647248587 1129560854 /nfs/dbraw/zinc/56/08/54/1129560854.db2.gz KKVBBYHDRSQSCH-OWYHZJEWSA-N 2 1 286.463 3.500 20 0 CHADMP CCCC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647343244 1129571355 /nfs/dbraw/zinc/57/13/55/1129571355.db2.gz JMZVEAJRCQEZMD-JQHSSLGASA-N 2 1 274.452 3.500 20 0 CHADMP CCC[C@H](CC)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344773 1129571651 /nfs/dbraw/zinc/57/16/51/1129571651.db2.gz YYTRMGDPNKFQCL-SQNIBIBYSA-N 2 1 274.452 3.500 20 0 CHADMP C1C[N@@H+]2CCCC[C@H]2[C@@H]1[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000252425295 1129572976 /nfs/dbraw/zinc/57/29/76/1129572976.db2.gz MNAXFEWXJYNGNM-ZKXLYKBJSA-N 2 1 276.468 3.562 20 0 CHADMP C1C[N@H+]2CCCC[C@H]2[C@@H]1[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000252425295 1129572979 /nfs/dbraw/zinc/57/29/79/1129572979.db2.gz MNAXFEWXJYNGNM-ZKXLYKBJSA-N 2 1 276.468 3.562 20 0 CHADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000647874253 1129587041 /nfs/dbraw/zinc/58/70/41/1129587041.db2.gz MDXSYOOQXSAKSW-AWEZNQCLSA-N 2 1 278.415 3.598 20 0 CHADMP C[C@@H]1c2c(F)cccc2CC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647885767 1129587134 /nfs/dbraw/zinc/58/71/34/1129587134.db2.gz OERICQDAVVGTFX-CQSZACIVSA-N 2 1 290.426 3.525 20 0 CHADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976875 1129590937 /nfs/dbraw/zinc/59/09/37/1129590937.db2.gz VOEXIEGPYRTSFP-PVAVHDDUSA-N 2 1 290.426 3.598 20 0 CHADMP CC[NH+](CC)c1ccc(Nc2c[nH+]ccc2N(C)C)cc1 ZINC001212968059 1129636880 /nfs/dbraw/zinc/63/68/80/1129636880.db2.gz HGYXZHTYPBBXCT-UHFFFAOYSA-N 2 1 284.407 3.737 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C(C3CC3)C3CC3)C2)cc1 ZINC000380945303 1129642728 /nfs/dbraw/zinc/64/27/28/1129642728.db2.gz OLONMWCHKIRIEU-KRWDZBQOSA-N 2 1 298.474 3.677 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]C1(c2ccccc2C)CCC1 ZINC000649644611 1129665867 /nfs/dbraw/zinc/66/58/67/1129665867.db2.gz KSEVOWAPRVYVEG-UHFFFAOYSA-N 2 1 283.419 3.559 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc3sccc3c1)C2 ZINC001169099145 1129696468 /nfs/dbraw/zinc/69/64/68/1129696468.db2.gz OCZJEEDFIJSCSJ-MUJYYYPQSA-N 2 1 286.444 3.616 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@H](c3ccccc3)C1)C2 ZINC001169125325 1129702008 /nfs/dbraw/zinc/70/20/08/1129702008.db2.gz ZARAUTZXIKWTFU-YHDCXSKOSA-N 2 1 298.474 3.928 20 0 CHADMP Cc1cccc([C@H]2CCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169125877 1129702016 /nfs/dbraw/zinc/70/20/16/1129702016.db2.gz MVVPXUCUUYNIJJ-FCGDIQPGSA-N 2 1 284.447 3.757 20 0 CHADMP Cc1cccc([C@H]2CCC[N@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169125877 1129702019 /nfs/dbraw/zinc/70/20/19/1129702019.db2.gz MVVPXUCUUYNIJJ-FCGDIQPGSA-N 2 1 284.447 3.757 20 0 CHADMP Cc1cccc([C@H]2CCC[N@@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169125877 1129702021 /nfs/dbraw/zinc/70/20/21/1129702021.db2.gz MVVPXUCUUYNIJJ-FCGDIQPGSA-N 2 1 284.447 3.757 20 0 CHADMP CCc1ccc[nH+]c1N[C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169139582 1129702106 /nfs/dbraw/zinc/70/21/06/1129702106.db2.gz CBFZBSXRNXSENK-RHSMWYFYSA-N 2 1 275.440 3.600 20 0 CHADMP CC[C@H](C)C1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169112738 1129703200 /nfs/dbraw/zinc/70/32/00/1129703200.db2.gz SEHVBHYHCIATIS-ARQTZMPVSA-N 2 1 278.484 3.806 20 0 CHADMP C[C@H](CC1CCCCC1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108181 1129703267 /nfs/dbraw/zinc/70/32/67/1129703267.db2.gz PBLISBKPFDOIOG-MXASKKJJSA-N 2 1 264.457 3.560 20 0 CHADMP CCC[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169141436 1129704112 /nfs/dbraw/zinc/70/41/12/1129704112.db2.gz QKCSNAQMHPENLF-PIIMJCKOSA-N 2 1 272.436 3.524 20 0 CHADMP CCC[NH+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169141436 1129704115 /nfs/dbraw/zinc/70/41/15/1129704115.db2.gz QKCSNAQMHPENLF-PIIMJCKOSA-N 2 1 272.436 3.524 20 0 CHADMP CCC[NH+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169141436 1129704117 /nfs/dbraw/zinc/70/41/17/1129704117.db2.gz QKCSNAQMHPENLF-PIIMJCKOSA-N 2 1 272.436 3.524 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169148439 1129704723 /nfs/dbraw/zinc/70/47/23/1129704723.db2.gz YYPIAPRYCPWOQZ-VSZNYVQBSA-N 2 1 272.436 3.695 20 0 CHADMP CC[C@H](c1ccccc1)[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169148439 1129704726 /nfs/dbraw/zinc/70/47/26/1129704726.db2.gz YYPIAPRYCPWOQZ-VSZNYVQBSA-N 2 1 272.436 3.695 20 0 CHADMP CC[C@H](c1ccccc1)[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169148439 1129704729 /nfs/dbraw/zinc/70/47/29/1129704729.db2.gz YYPIAPRYCPWOQZ-VSZNYVQBSA-N 2 1 272.436 3.695 20 0 CHADMP Cc1cc([NH2+][C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)ccc1N ZINC001169152857 1129705442 /nfs/dbraw/zinc/70/54/42/1129705442.db2.gz RCWKEDIBUVTPFE-WMLDXEAASA-N 2 1 275.440 3.533 20 0 CHADMP CC[C@H]1c2ccccc2CC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153180 1129705538 /nfs/dbraw/zinc/70/55/38/1129705538.db2.gz HHLYFQCMHBCFHU-ZMMAXQRCSA-N 2 1 284.447 3.621 20 0 CHADMP CC[C@H]1c2ccccc2CC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169153180 1129705541 /nfs/dbraw/zinc/70/55/41/1129705541.db2.gz HHLYFQCMHBCFHU-ZMMAXQRCSA-N 2 1 284.447 3.621 20 0 CHADMP CC[C@H]1c2ccccc2CC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169153180 1129705542 /nfs/dbraw/zinc/70/55/42/1129705542.db2.gz HHLYFQCMHBCFHU-ZMMAXQRCSA-N 2 1 284.447 3.621 20 0 CHADMP CCc1ccc2ccccc2c1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC001169177541 1129707451 /nfs/dbraw/zinc/70/74/51/1129707451.db2.gz LLADJUCRWMNQII-INIZCTEOSA-N 2 1 296.458 3.786 20 0 CHADMP CCC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(F)cc1 ZINC001169230316 1129710731 /nfs/dbraw/zinc/71/07/31/1129710731.db2.gz XWXDQPNWCLAXIP-QGZVFWFLSA-N 2 1 278.415 3.741 20 0 CHADMP CCN1CCC([NH2+]CCCCCCCCCCC[NH3+])CC1 ZINC001169233371 1129711511 /nfs/dbraw/zinc/71/15/11/1129711511.db2.gz OLZYBLVOPIMRKZ-UHFFFAOYSA-N 2 1 297.531 3.530 20 0 CHADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1cc(C)cc(C)c1 ZINC001169242164 1129712392 /nfs/dbraw/zinc/71/23/92/1129712392.db2.gz XVYSZPIIVNENIN-SFHVURJKSA-N 2 1 274.452 3.828 20 0 CHADMP C/C(=C/c1ccccc1)C[N@H+](C)CCC[NH+]1CCCCC1 ZINC001169243263 1129712408 /nfs/dbraw/zinc/71/24/08/1129712408.db2.gz MKABPOBRUKILEW-VLGSPTGOSA-N 2 1 286.463 3.898 20 0 CHADMP C/C(=C/c1ccccc1)C[N@@H+](C)CCC[NH+]1CCCCC1 ZINC001169243263 1129712410 /nfs/dbraw/zinc/71/24/10/1129712410.db2.gz MKABPOBRUKILEW-VLGSPTGOSA-N 2 1 286.463 3.898 20 0 CHADMP CC[C@@H](C)C1CCC([NH2+]C2CC[NH+](CC)CC2)CC1 ZINC001169237869 1129712508 /nfs/dbraw/zinc/71/25/08/1129712508.db2.gz AWZXLAKLBGOOBI-QQFBHYJXSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CCN1C ZINC000651725760 1129745480 /nfs/dbraw/zinc/74/54/80/1129745480.db2.gz NZEHJKGIUZHQLR-OSMZGAPFSA-N 2 1 296.817 3.539 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CCN1C ZINC000651725759 1129745563 /nfs/dbraw/zinc/74/55/63/1129745563.db2.gz NZEHJKGIUZHQLR-MPKXVKKWSA-N 2 1 296.817 3.539 20 0 CHADMP Cc1c[nH+]ccc1OC1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001169779465 1129755943 /nfs/dbraw/zinc/75/59/43/1129755943.db2.gz AMPVODHHBMDISN-UHFFFAOYSA-N 2 1 288.435 3.669 20 0 CHADMP C[C@H]([NH2+]C1(C2CCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000652272704 1129761918 /nfs/dbraw/zinc/76/19/18/1129761918.db2.gz UFLLYFLJAHWSSE-WMZOPIPTSA-N 2 1 298.474 3.819 20 0 CHADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)[C@@H](C)C1CCCCC1 ZINC000653614101 1129788743 /nfs/dbraw/zinc/78/87/43/1129788743.db2.gz NYTYEGQADFRFHN-HUUCEWRRSA-N 2 1 277.456 3.547 20 0 CHADMP CC[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000380945872 1129833618 /nfs/dbraw/zinc/83/36/18/1129833618.db2.gz OTQCEKGMVOHSHH-RTBURBONSA-N 2 1 288.479 3.923 20 0 CHADMP C[N@@H+](CC1CCC1)C1CC[NH+](C2CCCCC2)CC1 ZINC001202791693 1129844427 /nfs/dbraw/zinc/84/44/27/1129844427.db2.gz DJGFWYGGYFEBCB-UHFFFAOYSA-N 2 1 264.457 3.515 20 0 CHADMP C[C@]1(C[NH2+][C@H]2CCC23CCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000800490602 1129879927 /nfs/dbraw/zinc/87/99/27/1129879927.db2.gz ILHARZZCHOQKHG-RBUKOAKNSA-N 2 1 298.474 3.821 20 0 CHADMP C[C@H]([NH2+]C1C[C@@H]2CCC[C@H]2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000902948928 1130089359 /nfs/dbraw/zinc/08/93/59/1130089359.db2.gz YNPBXHZCXUDIMF-LUKYLMHMSA-N 2 1 290.495 3.808 20 0 CHADMP C[C@H]1CCCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903079344 1130109321 /nfs/dbraw/zinc/10/93/21/1130109321.db2.gz MJHLRZIHPFOGOM-WNJABXAVSA-N 2 1 276.468 3.560 20 0 CHADMP C[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903086367 1130110225 /nfs/dbraw/zinc/11/02/25/1130110225.db2.gz NPMXNJBJBHTBJP-SHFXZJCHSA-N 2 1 298.474 3.928 20 0 CHADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1CC1(C)C ZINC000903190252 1130126593 /nfs/dbraw/zinc/12/65/93/1130126593.db2.gz RABMODWBKRCTFA-DQOFTXQYSA-N 2 1 276.468 3.559 20 0 CHADMP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903189697 1130127246 /nfs/dbraw/zinc/12/72/46/1130127246.db2.gz GOUQPXNTPCZVQJ-JQWQUYJUSA-N 2 1 290.495 3.949 20 0 CHADMP CCC(C)(C)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903200369 1130129130 /nfs/dbraw/zinc/12/91/30/1130129130.db2.gz RIRYPKXWBADWEU-WYQXTGKHSA-N 2 1 264.457 3.559 20 0 CHADMP CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001170074317 1130153390 /nfs/dbraw/zinc/15/33/90/1130153390.db2.gz RDLDLLNBURCQLS-IXDOHACOSA-N 2 1 268.489 3.910 20 0 CHADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(Cl)cc3ccccc32)C1 ZINC000903422635 1130174998 /nfs/dbraw/zinc/17/49/98/1130174998.db2.gz HCFOZYADHGWSOP-CYBMUJFWSA-N 2 1 288.822 3.535 20 0 CHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(Cl)cc3ccccc32)C1 ZINC000903422635 1130175001 /nfs/dbraw/zinc/17/50/01/1130175001.db2.gz HCFOZYADHGWSOP-CYBMUJFWSA-N 2 1 288.822 3.535 20 0 CHADMP CCC1CCC([N@@H+](CC2CC[NH+](C)CC2)C2CC2)CC1 ZINC000788479276 1130188964 /nfs/dbraw/zinc/18/89/64/1130188964.db2.gz QHOOOSJOOMKAJU-UHFFFAOYSA-N 2 1 278.484 3.761 20 0 CHADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000788482449 1130192773 /nfs/dbraw/zinc/19/27/73/1130192773.db2.gz WKBSFXIREYNBOI-SJLPKXTDSA-N 2 1 286.463 3.515 20 0 CHADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(-c3ccccc3)cc1)C2 ZINC000903848952 1130205119 /nfs/dbraw/zinc/20/51/19/1130205119.db2.gz VJDYGYNFLMIUQB-VDGAXYAQSA-N 2 1 292.426 3.665 20 0 CHADMP CC1=CC[C@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000788812826 1130210013 /nfs/dbraw/zinc/21/00/13/1130210013.db2.gz FWUIQOZLARTBBI-PMACEKPBSA-N 2 1 298.474 3.987 20 0 CHADMP CC1=CC[C@@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000788812832 1130210191 /nfs/dbraw/zinc/21/01/91/1130210191.db2.gz FWUIQOZLARTBBI-WOJBJXKFSA-N 2 1 298.474 3.987 20 0 CHADMP Cc1c(Cl)ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1F ZINC001206036776 1130254050 /nfs/dbraw/zinc/25/40/50/1130254050.db2.gz PVYQVPFSPFEVNG-WCQYABFASA-N 2 1 298.833 3.594 20 0 CHADMP C[C@@H]1CC[C@H]([N@@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170124534 1130284990 /nfs/dbraw/zinc/28/49/90/1130284990.db2.gz XJRLEOYDWMZYLU-DDBAPUKQSA-N 2 1 278.484 3.937 20 0 CHADMP C(C[NH+]1CCC[C@H](C2CC2)C1)C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000677056886 1130285440 /nfs/dbraw/zinc/28/54/40/1130285440.db2.gz KOTPVLVEXKUJFK-OALUTQOASA-N 2 1 290.495 3.621 20 0 CHADMP c1[nH+]cn2cccc(C3=CCC[N@@H+](Cc4ccccc4)C3)c12 ZINC001240387821 1130287148 /nfs/dbraw/zinc/28/71/48/1130287148.db2.gz YENAOLVAXYGOKC-UHFFFAOYSA-N 2 1 289.382 3.624 20 0 CHADMP c1[nH+]cn2cccc(C3=CCC[N@H+](Cc4ccccc4)C3)c12 ZINC001240387821 1130287154 /nfs/dbraw/zinc/28/71/54/1130287154.db2.gz YENAOLVAXYGOKC-UHFFFAOYSA-N 2 1 289.382 3.624 20 0 CHADMP c1ccc2c(c1)cccc2CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677237042 1130296018 /nfs/dbraw/zinc/29/60/18/1130296018.db2.gz ZFSMNINRYARVEO-MOPGFXCFSA-N 2 1 294.442 3.599 20 0 CHADMP CCCC[C@H](CCC)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677240795 1130298326 /nfs/dbraw/zinc/29/83/26/1130298326.db2.gz KZRFYIZOOFISMI-BBWFWOEESA-N 2 1 266.473 3.809 20 0 CHADMP CC(C)[C@H]1c2ccccc2CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000678077927 1130348914 /nfs/dbraw/zinc/34/89/14/1130348914.db2.gz MRSOQIQKVQAFQH-MJGOQNOKSA-N 2 1 286.463 3.726 20 0 CHADMP CC(C)[C@H]1c2ccccc2CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000678077927 1130348919 /nfs/dbraw/zinc/34/89/19/1130348919.db2.gz MRSOQIQKVQAFQH-MJGOQNOKSA-N 2 1 286.463 3.726 20 0 CHADMP CC(C)[C@H]1c2ccccc2CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000678077927 1130348923 /nfs/dbraw/zinc/34/89/23/1130348923.db2.gz MRSOQIQKVQAFQH-MJGOQNOKSA-N 2 1 286.463 3.726 20 0 CHADMP CCCC[NH+]1CCC([N@H+](C)Cc2cc3ccccc3[nH]2)CC1 ZINC001137321435 1130350236 /nfs/dbraw/zinc/35/02/36/1130350236.db2.gz LOIQZBULZOMXQB-UHFFFAOYSA-N 2 1 299.462 3.864 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cc3ccccc3[nH]2)CC1 ZINC001137321435 1130350239 /nfs/dbraw/zinc/35/02/39/1130350239.db2.gz LOIQZBULZOMXQB-UHFFFAOYSA-N 2 1 299.462 3.864 20 0 CHADMP C[C@@H]1CC[C@H]([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)C1 ZINC001170150715 1130358993 /nfs/dbraw/zinc/35/89/93/1130358993.db2.gz OLXKMFMLLQRSLV-UZLBHIALSA-N 2 1 298.474 3.698 20 0 CHADMP C[C@@H]1CC[C@H]([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)C1 ZINC001170150715 1130358997 /nfs/dbraw/zinc/35/89/97/1130358997.db2.gz OLXKMFMLLQRSLV-UZLBHIALSA-N 2 1 298.474 3.698 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2C2CC2)[C@H](C)C1 ZINC000678277432 1130388854 /nfs/dbraw/zinc/38/88/54/1130388854.db2.gz JHNNTKUKKZQPPB-DNVCBOLYSA-N 2 1 286.463 3.726 20 0 CHADMP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1ccc(C)nc1C ZINC000678423150 1130414040 /nfs/dbraw/zinc/41/40/40/1130414040.db2.gz JNROUYTYFAWVHC-MRXNPFEDSA-N 2 1 291.483 3.861 20 0 CHADMP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000678609525 1130441603 /nfs/dbraw/zinc/44/16/03/1130441603.db2.gz PAZLEKOLQZSPLU-VYCZESIESA-N 2 1 284.447 3.526 20 0 CHADMP CC(C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000678610114 1130441747 /nfs/dbraw/zinc/44/17/47/1130441747.db2.gz GHDAFUMVJWEOOM-IRXDYDNUSA-N 2 1 278.484 3.809 20 0 CHADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCO[C@@H](CC)C1 ZINC001170189502 1130456640 /nfs/dbraw/zinc/45/66/40/1130456640.db2.gz BWTPNPBEVLEWDZ-DDBAPUKQSA-N 2 1 296.499 3.705 20 0 CHADMP CC[C@@H]1C[C@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170197480 1130461498 /nfs/dbraw/zinc/46/14/98/1130461498.db2.gz XAYZPZXSCTTXPU-QBPKDAKJSA-N 2 1 296.499 3.562 20 0 CHADMP C[C@@H]([NH2+]CC1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000679740028 1130552889 /nfs/dbraw/zinc/55/28/89/1130552889.db2.gz UALZJBJEAYUSSD-NVXWUHKLSA-N 2 1 278.484 3.809 20 0 CHADMP Cc1cc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)cs1 ZINC001331254956 1130652194 /nfs/dbraw/zinc/65/21/94/1130652194.db2.gz RFHVYBHXBRAOOZ-UHFFFAOYSA-N 2 1 289.448 3.776 20 0 CHADMP c1ccc(C2(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)CCCC2)cc1 ZINC001234993469 1130699825 /nfs/dbraw/zinc/69/98/25/1130699825.db2.gz NYVRNYDMXQHHHD-LJQANCHMSA-N 2 1 298.474 3.574 20 0 CHADMP CCCCc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC001234993347 1130701263 /nfs/dbraw/zinc/70/12/63/1130701263.db2.gz PGDYKLIEOWNJAL-KRWDZBQOSA-N 2 1 292.492 3.666 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC001234993347 1130701269 /nfs/dbraw/zinc/70/12/69/1130701269.db2.gz PGDYKLIEOWNJAL-KRWDZBQOSA-N 2 1 292.492 3.666 20 0 CHADMP C[C@@H](CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)CC(C)(C)C ZINC001234991463 1130701672 /nfs/dbraw/zinc/70/16/72/1130701672.db2.gz HUCMWJKKJBRRKL-DOTOQJQBSA-N 2 1 266.473 3.524 20 0 CHADMP c1cc(C2CCCCC2)ccc1C[N@@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235033076 1130703743 /nfs/dbraw/zinc/70/37/43/1130703743.db2.gz STOOEYQCVAAUFH-RBUKOAKNSA-N 2 1 284.447 3.528 20 0 CHADMP c1cc(C2CCCCC2)ccc1C[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235033076 1130703746 /nfs/dbraw/zinc/70/37/46/1130703746.db2.gz STOOEYQCVAAUFH-RBUKOAKNSA-N 2 1 284.447 3.528 20 0 CHADMP c1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c2cccccc1-2 ZINC001235039657 1130705383 /nfs/dbraw/zinc/70/53/83/1130705383.db2.gz OZBSBTSJVLTZAJ-HXUWFJFHSA-N 2 1 294.442 3.900 20 0 CHADMP Cc1ccc([C@H](C)CC[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)o1 ZINC001235041891 1130705874 /nfs/dbraw/zinc/70/58/74/1130705874.db2.gz UPJVQLRBCLVELX-QAPCUYQASA-N 2 1 290.451 3.690 20 0 CHADMP CC(C)c1ccccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235041018 1130705924 /nfs/dbraw/zinc/70/59/24/1130705924.db2.gz WIYHQXGMPVKIJB-IBGZPJMESA-N 2 1 286.463 3.918 20 0 CHADMP c1cc2cc(C[N@H+]3CCC[C@]4(CCC[NH2+]4)CC3)ccc2o1 ZINC001235043883 1130706418 /nfs/dbraw/zinc/70/64/18/1130706418.db2.gz INVQPIFACSRPPU-GOSISDBHSA-N 2 1 284.403 3.541 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+]1CCC12CC[NH2+]CC2 ZINC001235102419 1130710067 /nfs/dbraw/zinc/71/00/67/1130710067.db2.gz MDTMWANZQLSHRL-UHFFFAOYSA-N 2 1 286.444 3.538 20 0 CHADMP Cc1c(Cl)ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1C ZINC001235092242 1130710608 /nfs/dbraw/zinc/71/06/08/1130710608.db2.gz JHFRQSPFQNGADV-UHFFFAOYSA-N 2 1 292.854 3.532 20 0 CHADMP CC/C=C\CCCCCC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235109316 1130711695 /nfs/dbraw/zinc/71/16/95/1130711695.db2.gz AVRGWXVQGRFJLH-LIMHQNJXSA-N 2 1 264.457 3.731 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235109316 1130711699 /nfs/dbraw/zinc/71/16/99/1130711699.db2.gz AVRGWXVQGRFJLH-LIMHQNJXSA-N 2 1 264.457 3.731 20 0 CHADMP C[C@@H](C[N@@H+]1CCC[C@@]12CC[NH2+]C2)c1cccc2ccccc21 ZINC001235111671 1130712198 /nfs/dbraw/zinc/71/21/98/1130712198.db2.gz RXILTTPHYAPXSU-JXFKEZNVSA-N 2 1 294.442 3.771 20 0 CHADMP C[C@@H](C[N@H+]1CCC[C@@]12CC[NH2+]C2)c1cccc2ccccc21 ZINC001235111671 1130712200 /nfs/dbraw/zinc/71/22/00/1130712200.db2.gz RXILTTPHYAPXSU-JXFKEZNVSA-N 2 1 294.442 3.771 20 0 CHADMP Cc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1C ZINC001235152586 1130714488 /nfs/dbraw/zinc/71/44/88/1130714488.db2.gz HJJSRWONURBTGK-IBGZPJMESA-N 2 1 286.463 3.658 20 0 CHADMP c1ccc(C2(C[N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)CC2)cc1 ZINC001235152907 1130714723 /nfs/dbraw/zinc/71/47/23/1130714723.db2.gz PRVFAHBPUXOOOO-LJQANCHMSA-N 2 1 298.474 3.572 20 0 CHADMP Clc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1 ZINC001235158127 1130715962 /nfs/dbraw/zinc/71/59/62/1130715962.db2.gz UTKGFZXYKFWYGR-QGZVFWFLSA-N 2 1 292.854 3.694 20 0 CHADMP Clc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1 ZINC001235158124 1130716652 /nfs/dbraw/zinc/71/66/52/1130716652.db2.gz UTKGFZXYKFWYGR-KRWDZBQOSA-N 2 1 292.854 3.694 20 0 CHADMP c1cc2cc(C[N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)ccc2o1 ZINC001235153428 1130716855 /nfs/dbraw/zinc/71/68/55/1130716855.db2.gz KBFOWNXQXYBGHO-GOSISDBHSA-N 2 1 298.430 3.787 20 0 CHADMP Cc1ccc([C@@H](C)CC[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)o1 ZINC001235173041 1130718244 /nfs/dbraw/zinc/71/82/44/1130718244.db2.gz PCUJRNRJQSZYFO-YJBOKZPZSA-N 2 1 290.451 3.690 20 0 CHADMP Cc1ccc([C@@H](C)CC[N@H+]2CCCC[C@@]23CCC[NH2+]C3)o1 ZINC001235173041 1130718246 /nfs/dbraw/zinc/71/82/46/1130718246.db2.gz PCUJRNRJQSZYFO-YJBOKZPZSA-N 2 1 290.451 3.690 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001235191373 1130722079 /nfs/dbraw/zinc/72/20/79/1130722079.db2.gz SHTCEEGPEMVABS-QGZVFWFLSA-N 2 1 278.484 3.977 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235191373 1130722085 /nfs/dbraw/zinc/72/20/85/1130722085.db2.gz SHTCEEGPEMVABS-QGZVFWFLSA-N 2 1 278.484 3.977 20 0 CHADMP c1csc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)cc2)c1 ZINC001235264726 1130730341 /nfs/dbraw/zinc/73/03/41/1130730341.db2.gz ARTXYZHMOQTARL-DLBZAZTESA-N 2 1 298.455 3.599 20 0 CHADMP c1ccc([C@H]2C[NH2+]C[C@@]23CC[N@H+](CCC2CCCC2)C3)cc1 ZINC001235350223 1130735539 /nfs/dbraw/zinc/73/55/39/1130735539.db2.gz XDXSLMZECYURIO-WOJBJXKFSA-N 2 1 298.474 3.646 20 0 CHADMP CC/C=C\CC[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235366862 1130737815 /nfs/dbraw/zinc/73/78/15/1130737815.db2.gz RWISRRSGLNNBJI-FPMVPNIMSA-N 2 1 298.474 3.596 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235410503 1130740220 /nfs/dbraw/zinc/74/02/20/1130740220.db2.gz YILLZPCZUDEQSC-BZSNNMDCSA-N 2 1 296.474 3.783 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)sc1C ZINC001235428672 1130741635 /nfs/dbraw/zinc/74/16/35/1130741635.db2.gz RBXHQTZEEGRNTF-CVEARBPZSA-N 2 1 292.492 3.577 20 0 CHADMP c1cc2c(cccc2C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC001235429669 1130741829 /nfs/dbraw/zinc/74/18/29/1130741829.db2.gz UXMDVSCZFAZCTM-HOTGVXAUSA-N 2 1 298.430 3.644 20 0 CHADMP c1cc2c(cccc2C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC001235429667 1130741900 /nfs/dbraw/zinc/74/19/00/1130741900.db2.gz UXMDVSCZFAZCTM-CVEARBPZSA-N 2 1 298.430 3.644 20 0 CHADMP Cc1c(C[N@H+](C)C2CC[NH2+]CC2)cccc1-c1ccccc1 ZINC001235465112 1130747436 /nfs/dbraw/zinc/74/74/36/1130747436.db2.gz HHQSORUVFIYOGL-UHFFFAOYSA-N 2 1 294.442 3.846 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1-c1ccncc1 ZINC001235622683 1130758537 /nfs/dbraw/zinc/75/85/37/1130758537.db2.gz OHPVWSVWGWJZAG-UHFFFAOYSA-N 2 1 297.446 3.522 20 0 CHADMP CC1(C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC001235675529 1130765671 /nfs/dbraw/zinc/76/56/71/1130765671.db2.gz YSCMTXYAQURTSR-MRXNPFEDSA-N 2 1 292.854 3.867 20 0 CHADMP Cc1csc2sc(C[N@H+]3CCC[C@@H](C[NH3+])C3)c(C)c12 ZINC001235675025 1130766018 /nfs/dbraw/zinc/76/60/18/1130766018.db2.gz HTSNQZIWDAUYSN-LBPRGKRZSA-N 2 1 294.489 3.750 20 0 CHADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001235677022 1130766388 /nfs/dbraw/zinc/76/63/88/1130766388.db2.gz WFDCXYUNNYMUKV-OAHLLOKOSA-N 2 1 298.405 3.663 20 0 CHADMP C[N@@H+](Cc1cccc(C[NH3+])c1)C12CC3CC(CC(C3)C1)C2 ZINC001235691845 1130769259 /nfs/dbraw/zinc/76/92/59/1130769259.db2.gz WITNVZBDUWTSMN-UHFFFAOYSA-N 2 1 284.447 3.546 20 0 CHADMP CC(C)c1cccc(C[N@@H+](C)CCC2CC[NH2+]CC2)c1 ZINC001235717994 1130771360 /nfs/dbraw/zinc/77/13/60/1130771360.db2.gz RHUGFNHMCSIEHP-UHFFFAOYSA-N 2 1 274.452 3.632 20 0 CHADMP Cc1cccc(C)c1-c1cccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC001235748585 1130776358 /nfs/dbraw/zinc/77/63/58/1130776358.db2.gz CHTLYCYDXAMRHO-SFHVURJKSA-N 2 1 294.442 3.751 20 0 CHADMP C[C@H](C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2)c1cccc2ccccc21 ZINC001235808245 1130782236 /nfs/dbraw/zinc/78/22/36/1130782236.db2.gz ACFKJUCRZYHKIA-NRSFXHEJSA-N 2 1 294.442 3.897 20 0 CHADMP Cc1c(C[N@@H+](C)C[C@H]2CC[NH2+]C2)cccc1-c1ccccc1 ZINC001235842586 1130786581 /nfs/dbraw/zinc/78/65/81/1130786581.db2.gz PDVLZEALVONRET-KRWDZBQOSA-N 2 1 294.442 3.703 20 0 CHADMP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001235891997 1130794998 /nfs/dbraw/zinc/79/49/98/1130794998.db2.gz JIIHXDREZIVRJF-ZIAGYGMSSA-N 2 1 299.462 3.777 20 0 CHADMP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001235891997 1130795001 /nfs/dbraw/zinc/79/50/01/1130795001.db2.gz JIIHXDREZIVRJF-ZIAGYGMSSA-N 2 1 299.462 3.777 20 0 CHADMP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001235907974 1130803641 /nfs/dbraw/zinc/80/36/41/1130803641.db2.gz VRKXCWGMSKFAQU-RDTXWAMCSA-N 2 1 298.405 3.804 20 0 CHADMP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001235907974 1130803645 /nfs/dbraw/zinc/80/36/45/1130803645.db2.gz VRKXCWGMSKFAQU-RDTXWAMCSA-N 2 1 298.405 3.804 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000783244024 1130806148 /nfs/dbraw/zinc/80/61/48/1130806148.db2.gz RJQZFVFOAAQQBE-HOSILWTGSA-N 2 1 278.465 3.519 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000783244024 1130806154 /nfs/dbraw/zinc/80/61/54/1130806154.db2.gz RJQZFVFOAAQQBE-HOSILWTGSA-N 2 1 278.465 3.519 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235925536 1130806511 /nfs/dbraw/zinc/80/65/11/1130806511.db2.gz TXHYIYRYYWHIDL-CVEARBPZSA-N 2 1 252.446 3.572 20 0 CHADMP CC(C)[N@H+](CC[NH3+])Cc1cccc(-c2ccsc2)c1 ZINC001235948101 1130811877 /nfs/dbraw/zinc/81/18/77/1130811877.db2.gz TXCIPCJYXUDUBN-UHFFFAOYSA-N 2 1 274.433 3.584 20 0 CHADMP CC(C)[N@@H+](CC[NH3+])Cc1cccc(-c2ccsc2)c1 ZINC001235948101 1130811882 /nfs/dbraw/zinc/81/18/82/1130811882.db2.gz TXCIPCJYXUDUBN-UHFFFAOYSA-N 2 1 274.433 3.584 20 0 CHADMP COc1ccc(-c2ccccc2)c(C[N@H+](CC[NH3+])C(C)C)c1 ZINC001235947238 1130812828 /nfs/dbraw/zinc/81/28/28/1130812828.db2.gz GSQUNQKZGZPBPK-UHFFFAOYSA-N 2 1 298.430 3.531 20 0 CHADMP COc1ccc(-c2ccccc2)c(C[N@@H+](CC[NH3+])C(C)C)c1 ZINC001235947238 1130812833 /nfs/dbraw/zinc/81/28/33/1130812833.db2.gz GSQUNQKZGZPBPK-UHFFFAOYSA-N 2 1 298.430 3.531 20 0 CHADMP COc1ccc(-c2cccc(C[N@H+](CC[NH3+])C(C)C)c2)cc1 ZINC001235949173 1130814133 /nfs/dbraw/zinc/81/41/33/1130814133.db2.gz YSBDCMJEBJKWBW-UHFFFAOYSA-N 2 1 298.430 3.531 20 0 CHADMP COc1ccc(-c2cccc(C[N@@H+](CC[NH3+])C(C)C)c2)cc1 ZINC001235949173 1130814138 /nfs/dbraw/zinc/81/41/38/1130814138.db2.gz YSBDCMJEBJKWBW-UHFFFAOYSA-N 2 1 298.430 3.531 20 0 CHADMP Clc1cccc([C@@H]2CC[N@H+](CC[C@@H]3CCCC[NH2+]3)C2)c1 ZINC001235949734 1130815226 /nfs/dbraw/zinc/81/52/26/1130815226.db2.gz GULXIZPKMFKEJU-WBVHZDCISA-N 2 1 292.854 3.662 20 0 CHADMP Clc1cccc([C@@H]2CC[N@@H+](CC[C@@H]3CCCC[NH2+]3)C2)c1 ZINC001235949734 1130815231 /nfs/dbraw/zinc/81/52/31/1130815231.db2.gz GULXIZPKMFKEJU-WBVHZDCISA-N 2 1 292.854 3.662 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001235950223 1130815795 /nfs/dbraw/zinc/81/57/95/1130815795.db2.gz VKXKATVPOJQEDX-HNNXBMFYSA-N 2 1 280.843 3.648 20 0 CHADMP CC(C)c1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000783315313 1130817267 /nfs/dbraw/zinc/81/72/67/1130817267.db2.gz DEMIQKKGZSITJN-DLBZAZTESA-N 2 1 272.436 3.526 20 0 CHADMP c1ccc([C@H]2CCC[N@H+](CC[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235960631 1130818061 /nfs/dbraw/zinc/81/80/61/1130818061.db2.gz VJJGNEOBGAJUKD-RBUKOAKNSA-N 2 1 286.463 3.788 20 0 CHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001236066016 1130845243 /nfs/dbraw/zinc/84/52/43/1130845243.db2.gz GLWBFPJCEISZEB-HNNXBMFYSA-N 2 1 298.405 3.534 20 0 CHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2-c2ccccc2C)C1 ZINC001236065712 1130845542 /nfs/dbraw/zinc/84/55/42/1130845542.db2.gz CRKREEGLQRMHNC-KRWDZBQOSA-N 2 1 294.442 3.703 20 0 CHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(-c3cccc(C)c3)cc2)C1 ZINC001236066837 1130845563 /nfs/dbraw/zinc/84/55/63/1130845563.db2.gz LNQCOUNYWZEFQV-GOSISDBHSA-N 2 1 294.442 3.703 20 0 CHADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1c(F)cccc1Cl ZINC001236105338 1130864758 /nfs/dbraw/zinc/86/47/58/1130864758.db2.gz YRMZJPJHMWFCLW-CYBMUJFWSA-N 2 1 298.833 3.691 20 0 CHADMP CSc1ccccc1[C@H]1CCC[N@H+]1CCCCC[NH3+] ZINC001236108759 1130866581 /nfs/dbraw/zinc/86/65/81/1130866581.db2.gz MWFUTYFMDZNEOM-OAHLLOKOSA-N 2 1 278.465 3.674 20 0 CHADMP Cc1cc(Oc2ccccc2)ccc1C[N@@H+](C)CCCC[NH3+] ZINC001236141543 1130873761 /nfs/dbraw/zinc/87/37/61/1130873761.db2.gz IAXVMASHBBCASR-UHFFFAOYSA-N 2 1 298.430 3.958 20 0 CHADMP CCC[N@H+](Cc1c(C)cccc1Cl)C1CC[NH2+]CC1 ZINC001236181790 1130879508 /nfs/dbraw/zinc/87/95/08/1130879508.db2.gz FRNOUHRCLRYZLH-UHFFFAOYSA-N 2 1 280.843 3.612 20 0 CHADMP CCC[N@@H+](Cc1c(C)cccc1Cl)C1CC[NH2+]CC1 ZINC001236181790 1130879510 /nfs/dbraw/zinc/87/95/10/1130879510.db2.gz FRNOUHRCLRYZLH-UHFFFAOYSA-N 2 1 280.843 3.612 20 0 CHADMP CCC[N@@H+](C[C@@H](C)CCC=C(C)C)C1CC[NH2+]CC1 ZINC001236181147 1130879682 /nfs/dbraw/zinc/87/96/82/1130879682.db2.gz UDVACTMJQZHRLQ-INIZCTEOSA-N 2 1 266.473 3.833 20 0 CHADMP CCC[N@@H+](Cc1cccc2c1ccn2CC)C1CC[NH2+]CC1 ZINC001236183179 1130881630 /nfs/dbraw/zinc/88/16/30/1130881630.db2.gz WUBBUAYRHAXMTA-UHFFFAOYSA-N 2 1 299.462 3.625 20 0 CHADMP [NH3+]C12CC(CC[N@H+]3CCC[C@H]3c3c[nH]c4ccccc34)(C1)C2 ZINC001236190781 1130883213 /nfs/dbraw/zinc/88/32/13/1130883213.db2.gz XTWRIRWLAXPXIZ-VIQWUECVSA-N 2 1 295.430 3.576 20 0 CHADMP c1[nH]c2ccccc2c1[C@H]1CCC[N@@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC001236191020 1130883608 /nfs/dbraw/zinc/88/36/08/1130883608.db2.gz JBZAAJUQJQQYRF-HNAYVOBHSA-N 2 1 297.446 3.837 20 0 CHADMP C[N@H+](Cc1ccc(F)c2ccccc12)[C@]1(C)CCC[NH2+]C1 ZINC001236204718 1130886286 /nfs/dbraw/zinc/88/62/86/1130886286.db2.gz AQQXZWNHULWUMP-GOSISDBHSA-N 2 1 286.394 3.553 20 0 CHADMP C[N@@H+](Cc1ccc(F)c2ccccc12)[C@]1(C)CCC[NH2+]C1 ZINC001236204718 1130886289 /nfs/dbraw/zinc/88/62/89/1130886289.db2.gz AQQXZWNHULWUMP-GOSISDBHSA-N 2 1 286.394 3.553 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2c(F)ccc(C)c2Cl)CC1 ZINC001236212709 1130889268 /nfs/dbraw/zinc/88/92/68/1130889268.db2.gz MMHWOIIEXLXDIY-UHFFFAOYSA-N 2 1 298.833 3.750 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216189 1130892352 /nfs/dbraw/zinc/89/23/52/1130892352.db2.gz IWLHHYIYEQSDHY-JKSUJKDBSA-N 2 1 288.460 3.911 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216189 1130892356 /nfs/dbraw/zinc/89/23/56/1130892356.db2.gz IWLHHYIYEQSDHY-JKSUJKDBSA-N 2 1 288.460 3.911 20 0 CHADMP CC(C)c1ccccc1C[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219145 1130892652 /nfs/dbraw/zinc/89/26/52/1130892652.db2.gz VCKDPIIMHRAOEP-IRXDYDNUSA-N 2 1 260.425 3.512 20 0 CHADMP CC(C)c1ccccc1C[N@@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219145 1130892661 /nfs/dbraw/zinc/89/26/61/1130892661.db2.gz VCKDPIIMHRAOEP-IRXDYDNUSA-N 2 1 260.425 3.512 20 0 CHADMP C[N@@H+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)C1(C)CC[NH2+]CC1 ZINC001236224023 1130896433 /nfs/dbraw/zinc/89/64/33/1130896433.db2.gz QHARYGCSLXVLCH-HOCLYGCPSA-N 2 1 292.854 3.517 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236226140 1130897053 /nfs/dbraw/zinc/89/70/53/1130897053.db2.gz KBAQNOCPJXQKHP-UHFFFAOYSA-N 2 1 282.431 3.722 20 0 CHADMP C[N@@H+](CC1(c2ccccc2)CCCC1)C1(C)CC[NH2+]CC1 ZINC001236224735 1130897568 /nfs/dbraw/zinc/89/75/68/1130897568.db2.gz VTKQLAZMBUKGLJ-UHFFFAOYSA-N 2 1 286.463 3.572 20 0 CHADMP Cc1ccc(C[N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)o1 ZINC001236227737 1130897699 /nfs/dbraw/zinc/89/76/99/1130897699.db2.gz LDOCEOLMZIBMCT-UHFFFAOYSA-N 2 1 298.430 3.860 20 0 CHADMP c1ccc(Oc2cccc(C[NH+]3CCC[NH2+]CCC3)c2)cc1 ZINC001236239575 1130901395 /nfs/dbraw/zinc/90/13/95/1130901395.db2.gz GYKRQPREEZQBDD-UHFFFAOYSA-N 2 1 296.414 3.664 20 0 CHADMP CC[N@@H+](CC[C@@H]1CCCC[NH2+]1)Cc1ccc(C)c(C)c1 ZINC001236239228 1130901870 /nfs/dbraw/zinc/90/18/70/1130901870.db2.gz BZIMTWFFJSKJJF-SFHVURJKSA-N 2 1 274.452 3.658 20 0 CHADMP Cc1ccc([C@@H]2CCCC[N@H+]2CCCCC[NH3+])cc1C ZINC001236243043 1130903469 /nfs/dbraw/zinc/90/34/69/1130903469.db2.gz BBJQMTBZLMBWSO-SFHVURJKSA-N 2 1 274.452 3.959 20 0 CHADMP Clc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)o1 ZINC001236375217 1130923920 /nfs/dbraw/zinc/92/39/20/1130923920.db2.gz JLLQSBPSFKYNMA-ZDUSSCGKSA-N 2 1 296.842 3.677 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CCC[C@@H]([NH3+])[C@H]3C)cc2)cc1 ZINC001236421406 1130935715 /nfs/dbraw/zinc/93/57/15/1130935715.db2.gz QUXVOQTZIRCCCN-OXQOHEQNSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]([NH3+])[C@H]3C)cc2)cc1 ZINC001236421406 1130935720 /nfs/dbraw/zinc/93/57/20/1130935720.db2.gz QUXVOQTZIRCCCN-OXQOHEQNSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CCC[C@H]([NH3+])[C@@H]3C)cc2)cc1 ZINC001236421404 1130935735 /nfs/dbraw/zinc/93/57/35/1130935735.db2.gz QUXVOQTZIRCCCN-JXFKEZNVSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@H]([NH3+])[C@@H]3C)cc2)cc1 ZINC001236421404 1130935737 /nfs/dbraw/zinc/93/57/37/1130935737.db2.gz QUXVOQTZIRCCCN-JXFKEZNVSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+]1CCC[C@@H]([NH3+])[C@H]1C ZINC001236421737 1130935765 /nfs/dbraw/zinc/93/57/65/1130935765.db2.gz UCWKMUJMOWRXGV-IAQYHMDHSA-N 2 1 274.433 3.521 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C ZINC001236421737 1130935767 /nfs/dbraw/zinc/93/57/67/1130935767.db2.gz UCWKMUJMOWRXGV-IAQYHMDHSA-N 2 1 274.433 3.521 20 0 CHADMP CC(C)=CCCC1=CC[C@@H](C[N@H+]2CC[C@@](F)(C[NH3+])C2)CC1 ZINC001236433767 1130940826 /nfs/dbraw/zinc/94/08/26/1130940826.db2.gz IKTXJMDWUYMVND-QZTJIDSGSA-N 2 1 294.458 3.832 20 0 CHADMP CC[C@H](C)C[N@@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001236489744 1130955285 /nfs/dbraw/zinc/95/52/85/1130955285.db2.gz QOJDFPJURDUXPB-AWEZNQCLSA-N 2 1 292.442 3.734 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCC2)C[C@H]2CC=CCC2)CC1 ZINC001236539854 1130968875 /nfs/dbraw/zinc/96/88/75/1130968875.db2.gz BTDZIVPQHOVXQS-SZMVWBNQSA-N 2 1 276.468 3.715 20 0 CHADMP CC(C)C[N@@H+](Cc1cccc(F)c1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550720 1130973094 /nfs/dbraw/zinc/97/30/94/1130973094.db2.gz MDEHRKWKGDLSHK-SHTZXODSSA-N 2 1 296.405 3.693 20 0 CHADMP CC(C)C[N@@H+](C[C@H]1CC=CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236549924 1130973406 /nfs/dbraw/zinc/97/34/06/1130973406.db2.gz CTTACSLSZFVSHY-ULQDDVLXSA-N 2 1 264.457 3.571 20 0 CHADMP Cc1c(F)cccc1C[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236553624 1130974357 /nfs/dbraw/zinc/97/43/57/1130974357.db2.gz ZXOINVXEKNSUKC-QAQDUYKDSA-N 2 1 290.426 3.616 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCCC2CCCC2)CC2CC2)CC1 ZINC001236553325 1130974416 /nfs/dbraw/zinc/97/44/16/1130974416.db2.gz WQVZUUVFNNIAOM-IYARVYRRSA-N 2 1 278.484 3.939 20 0 CHADMP Cc1cccc(CC[N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236553066 1130974579 /nfs/dbraw/zinc/97/45/79/1130974579.db2.gz WFVRINDSQBXESR-WGSAOQKQSA-N 2 1 288.479 3.765 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCC2CCCCC2)CC2CC2)CC1 ZINC001236553611 1130974775 /nfs/dbraw/zinc/97/47/75/1130974775.db2.gz ZRFYWBSANDUYRQ-IYARVYRRSA-N 2 1 278.484 3.939 20 0 CHADMP Cc1ccc(C[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236572191 1130978512 /nfs/dbraw/zinc/97/85/12/1130978512.db2.gz NLAZJPQFVWBRCS-SAABIXHNSA-N 2 1 272.436 3.619 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2Cc3ccccc3C2)C2CCC2)CC1 ZINC001236571504 1130978961 /nfs/dbraw/zinc/97/89/61/1130978961.db2.gz DTKBHOKSLDYFJN-KESTWPANSA-N 2 1 298.474 3.526 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC001236603938 1130981670 /nfs/dbraw/zinc/98/16/70/1130981670.db2.gz FOLCCLPRVCTMDX-HXUWFJFHSA-N 2 1 294.442 3.833 20 0 CHADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc(-c3ccsc3)c2)C1 ZINC001236605470 1130982970 /nfs/dbraw/zinc/98/29/70/1130982970.db2.gz VJZDFTYAQAAMMP-KRWDZBQOSA-N 2 1 286.444 3.586 20 0 CHADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(-c3cccs3)cc2)C1 ZINC001236605915 1130984166 /nfs/dbraw/zinc/98/41/66/1130984166.db2.gz WXRDEAUFRLIKCL-KRWDZBQOSA-N 2 1 286.444 3.586 20 0 CHADMP Fc1cc(Cl)cc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c1 ZINC001236634440 1130986717 /nfs/dbraw/zinc/98/67/17/1130986717.db2.gz SJZFEWNDSIVZBI-UHFFFAOYSA-N 2 1 296.817 3.586 20 0 CHADMP Cc1ccc([C@H](C)CC[N@@H+](C2CCC2)C2CC[NH2+]CC2)o1 ZINC001236634512 1130987210 /nfs/dbraw/zinc/98/72/10/1130987210.db2.gz UXLPWQBIRBQBBQ-CQSZACIVSA-N 2 1 290.451 3.688 20 0 CHADMP CCC[N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236754117 1131005509 /nfs/dbraw/zinc/00/55/09/1131005509.db2.gz CEUXFPCSZHCURM-WKILWMFISA-N 2 1 252.446 3.549 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000815572105 1131006973 /nfs/dbraw/zinc/00/69/73/1131006973.db2.gz UWYAQTFPBUGSRN-SJORKVTESA-N 2 1 278.484 3.811 20 0 CHADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000815622105 1131010815 /nfs/dbraw/zinc/01/08/15/1131010815.db2.gz LSGRQCHTXQETTO-ODIFPOPNSA-N 2 1 290.426 3.802 20 0 CHADMP CC/C=C\CCCCC[N@H+](CCC)C[C@H]1CC[NH2+]C1 ZINC001236827860 1131017288 /nfs/dbraw/zinc/01/72/88/1131017288.db2.gz HADBIBNEAHWBFZ-OSJSJHBBSA-N 2 1 266.473 3.835 20 0 CHADMP CCC[N@H+](Cc1ccc(C2CCC2)cc1)C[C@H]1CC[NH2+]C1 ZINC001236843126 1131021848 /nfs/dbraw/zinc/02/18/48/1131021848.db2.gz LBBWIQDZAPNQLF-KRWDZBQOSA-N 2 1 286.463 3.776 20 0 CHADMP CCC[N@H+](Cc1ccc(C)c(Cl)c1C)C[C@@H]1CC[NH2+]C1 ZINC001236843328 1131022281 /nfs/dbraw/zinc/02/22/81/1131022281.db2.gz HNWPLSXHFZKYOM-OAHLLOKOSA-N 2 1 294.870 3.778 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(F)c2ccoc21 ZINC001236901371 1131029737 /nfs/dbraw/zinc/02/97/37/1131029737.db2.gz LOJKNERWWFDEGU-UHFFFAOYSA-N 2 1 292.398 3.736 20 0 CHADMP C[NH+]1CCC2(CCC[N@H+]([C@H]3CCCc4ccccc43)C2)CC1 ZINC000799176972 1131074259 /nfs/dbraw/zinc/07/42/59/1131074259.db2.gz HFBOEPKMHKLKQT-IBGZPJMESA-N 2 1 298.474 3.872 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237408187 1131096321 /nfs/dbraw/zinc/09/63/21/1131096321.db2.gz ZAFWLDFHUKQROJ-YLJYHZDGSA-N 2 1 294.442 3.722 20 0 CHADMP c1cc(-c2ccccc2)oc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237405078 1131096750 /nfs/dbraw/zinc/09/67/50/1131096750.db2.gz PCYOPTDWKNCGGG-AEFFLSMTSA-N 2 1 296.414 3.521 20 0 CHADMP c1cc(-c2ccccc2)oc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237405078 1131096754 /nfs/dbraw/zinc/09/67/54/1131096754.db2.gz PCYOPTDWKNCGGG-AEFFLSMTSA-N 2 1 296.414 3.521 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(Nc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001159509801 1131124037 /nfs/dbraw/zinc/12/40/37/1131124037.db2.gz XBOVWFWATOHDBC-UHFFFAOYSA-N 2 1 290.370 3.528 20 0 CHADMP CCc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)ccc1Cl ZINC001237744672 1131137245 /nfs/dbraw/zinc/13/72/45/1131137245.db2.gz OJHNXCLBLHIRII-UHFFFAOYSA-N 2 1 294.870 3.676 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2C(C)C)C1 ZINC001116288550 1131138565 /nfs/dbraw/zinc/13/85/65/1131138565.db2.gz INDLIIADZDJXEE-ZACQAIPSSA-N 2 1 266.473 3.523 20 0 CHADMP CC[N@H+]1CCC[C@H](CN[C@H](C)c2nccc3ccccc32)C1 ZINC001117671529 1131191098 /nfs/dbraw/zinc/19/10/98/1131191098.db2.gz KASHBMGUUJBNRT-HZPDHXFCSA-N 2 1 297.446 3.617 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2nccc3ccccc32)C1 ZINC001117671529 1131191106 /nfs/dbraw/zinc/19/11/06/1131191106.db2.gz KASHBMGUUJBNRT-HZPDHXFCSA-N 2 1 297.446 3.617 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](C)[C@H]1CCC[C@H]1c1ccccc1 ZINC001171018911 1131429019 /nfs/dbraw/zinc/42/90/19/1131429019.db2.gz UAGUMUGEEBVRBW-OALUTQOASA-N 2 1 288.479 3.986 20 0 CHADMP CCc1cccc2c(C[N@@H+](C)CC3CC[NH+](C)CC3)c[nH]c21 ZINC001138362353 1131495376 /nfs/dbraw/zinc/49/53/76/1131495376.db2.gz YEHMFYQIIGWIKE-UHFFFAOYSA-N 2 1 299.462 3.504 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCCC[C@H](C)C2)cc1 ZINC001138543074 1131518481 /nfs/dbraw/zinc/51/84/81/1131518481.db2.gz JGYAOSMHRZDMPW-HNNXBMFYSA-N 2 1 283.419 3.803 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCCC[C@H](C)C2)cc1 ZINC001138543074 1131518482 /nfs/dbraw/zinc/51/84/82/1131518482.db2.gz JGYAOSMHRZDMPW-HNNXBMFYSA-N 2 1 283.419 3.803 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCCCCCC2)cc1 ZINC001138547217 1131518683 /nfs/dbraw/zinc/51/86/83/1131518683.db2.gz HWJXISQPMZXFSO-UHFFFAOYSA-N 2 1 283.419 3.947 20 0 CHADMP CC[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3C)cc2)C1 ZINC001138548820 1131520269 /nfs/dbraw/zinc/52/02/69/1131520269.db2.gz NEJYTJXVCWSOJN-MRXNPFEDSA-N 2 1 283.419 3.803 20 0 CHADMP CC[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138548820 1131520272 /nfs/dbraw/zinc/52/02/72/1131520272.db2.gz NEJYTJXVCWSOJN-MRXNPFEDSA-N 2 1 283.419 3.803 20 0 CHADMP CC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138548820 1131520275 /nfs/dbraw/zinc/52/02/75/1131520275.db2.gz NEJYTJXVCWSOJN-MRXNPFEDSA-N 2 1 283.419 3.803 20 0 CHADMP Cc1c(F)cc(F)cc1C[N@H+](C(C)C)C1CCN(C)CC1 ZINC001143769059 1131530392 /nfs/dbraw/zinc/53/03/92/1131530392.db2.gz GGQYLEFCRQTGKX-UHFFFAOYSA-N 2 1 296.405 3.578 20 0 CHADMP Cc1nc(C)c([C@H](C)[N@@H+](C)CCCCCCC[NH3+])s1 ZINC000844222046 1131537359 /nfs/dbraw/zinc/53/73/59/1131537359.db2.gz RKKQCJFCFHIBNW-ZDUSSCGKSA-N 2 1 283.485 3.662 20 0 CHADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246551782 1131608880 /nfs/dbraw/zinc/60/88/80/1131608880.db2.gz RDMLKPKBVNIGOQ-ARFHVFGLSA-N 2 1 272.452 3.600 20 0 CHADMP C[C@@H]1CC[N@H+]([C@@H]2CCCC3(CCCCC3)C2)C[C@H]1C[NH3+] ZINC001246553801 1131612717 /nfs/dbraw/zinc/61/27/17/1131612717.db2.gz UYYHFKDVZLCTJU-BRWVUGGUSA-N 2 1 278.484 3.796 20 0 CHADMP CCCC[C@@H](CC(C)C)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246555780 1131617557 /nfs/dbraw/zinc/61/75/57/1131617557.db2.gz HUJUTRVSUNMIPV-KBPBESRZSA-N 2 1 276.415 3.507 20 0 CHADMP CCCC1CCC([N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC001246559496 1131621391 /nfs/dbraw/zinc/62/13/91/1131621391.db2.gz ANMRFDJWFNXGGN-ORBLRFAASA-N 2 1 266.473 3.652 20 0 CHADMP C[C@H]1C[N@H+](C2CCC3(CCCC3)CC2)CCC[C@H]1C[NH3+] ZINC001246560412 1131622685 /nfs/dbraw/zinc/62/26/85/1131622685.db2.gz GIGGXIKDEDHPQP-HOTGVXAUSA-N 2 1 278.484 3.796 20 0 CHADMP CCCC1CCC([N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)CC1 ZINC001246563360 1131624425 /nfs/dbraw/zinc/62/44/25/1131624425.db2.gz WUSMVFDDMKGZDD-ORBLRFAASA-N 2 1 266.473 3.652 20 0 CHADMP CCCCC(CCCC)[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001246567284 1131635138 /nfs/dbraw/zinc/63/51/38/1131635138.db2.gz WXGKGZGIHYSACY-LSDHHAIUSA-N 2 1 254.462 3.795 20 0 CHADMP CC(C)CCC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246569688 1131637967 /nfs/dbraw/zinc/63/79/67/1131637967.db2.gz RWVKXBASSIGTNM-OWCLPIDISA-N 2 1 254.462 3.508 20 0 CHADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@](C)(F)CC2)CC[NH2+]1 ZINC001246570882 1131646078 /nfs/dbraw/zinc/64/60/78/1131646078.db2.gz TZGZRIRJORJPKR-OAGGEKHMSA-N 2 1 270.436 3.511 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246572639 1131651124 /nfs/dbraw/zinc/65/11/24/1131651124.db2.gz ARFVCNSVHBFBOZ-HRCADAONSA-N 2 1 272.452 3.744 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246572639 1131651125 /nfs/dbraw/zinc/65/11/25/1131651125.db2.gz ARFVCNSVHBFBOZ-HRCADAONSA-N 2 1 272.452 3.744 20 0 CHADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](CC1CC1)C1CC1 ZINC001140027264 1131657023 /nfs/dbraw/zinc/65/70/23/1131657023.db2.gz FGKCIOOFAWYNIM-UHFFFAOYSA-N 2 1 281.403 3.555 20 0 CHADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](CC1CC1)C1CC1 ZINC001140027264 1131657025 /nfs/dbraw/zinc/65/70/25/1131657025.db2.gz FGKCIOOFAWYNIM-UHFFFAOYSA-N 2 1 281.403 3.555 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](C)Cc1cccs1 ZINC000162145068 1131660858 /nfs/dbraw/zinc/66/08/58/1131660858.db2.gz ODNXPWQWYKUTSY-CQSZACIVSA-N 2 1 291.464 3.596 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](C)Cc1cccs1 ZINC000162145068 1131660861 /nfs/dbraw/zinc/66/08/61/1131660861.db2.gz ODNXPWQWYKUTSY-CQSZACIVSA-N 2 1 291.464 3.596 20 0 CHADMP CC(C)(C)C1CCC([N@@H+]2CCCC[C@](F)(C[NH3+])C2)CC1 ZINC001246580458 1131676440 /nfs/dbraw/zinc/67/64/40/1131676440.db2.gz MWGHBWWFJARRBH-DQPZFDDXSA-N 2 1 284.463 3.744 20 0 CHADMP CC(C)(C)C1CCC([N@H+]2CCCC[C@](F)(C[NH3+])C2)CC1 ZINC001246580458 1131676445 /nfs/dbraw/zinc/67/64/45/1131676445.db2.gz MWGHBWWFJARRBH-DQPZFDDXSA-N 2 1 284.463 3.744 20 0 CHADMP CC(C)C[N@@H+](C)CCC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000845996172 1131678817 /nfs/dbraw/zinc/67/88/17/1131678817.db2.gz MCMXRFLKUPOJLE-UHFFFAOYSA-N 2 1 294.405 3.675 20 0 CHADMP CC1CCC([N@@H+](CCCCCC[NH3+])C2CC2)CC1 ZINC000846218687 1131701103 /nfs/dbraw/zinc/70/11/03/1131701103.db2.gz QXRWNDXYKBVSFX-UHFFFAOYSA-N 2 1 252.446 3.549 20 0 CHADMP C[C@H]1SCC[N@@H+](CCCCCC[NH3+])[C@H]1c1ccccc1 ZINC000846219259 1131701345 /nfs/dbraw/zinc/70/13/45/1131701345.db2.gz MQEWWXITSZCXSC-NVXWUHKLSA-N 2 1 292.492 3.684 20 0 CHADMP CC[N@@H+](CCCCCC[NH3+])[C@H](C)c1ccc(F)cc1 ZINC000846218358 1131702240 /nfs/dbraw/zinc/70/22/40/1131702240.db2.gz MJFURNYHLSTKRH-CQSZACIVSA-N 2 1 266.404 3.728 20 0 CHADMP CC(C)CCC[C@H](C)[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001246606005 1131715345 /nfs/dbraw/zinc/71/53/45/1131715345.db2.gz LPTLUFPIFSMWPO-IRXDYDNUSA-N 2 1 266.473 3.809 20 0 CHADMP C1C[C@@]2(CCC[N@@H+](C3CCC4(CCCCC4)CC3)C2)[NH2+]1 ZINC001246607297 1131716468 /nfs/dbraw/zinc/71/64/68/1131716468.db2.gz CWQSYRWDNLADOW-GOSISDBHSA-N 2 1 276.468 3.707 20 0 CHADMP C1C[C@@]2(CCC[N@H+](C3CCC4(CCCCC4)CC3)C2)[NH2+]1 ZINC001246607297 1131716471 /nfs/dbraw/zinc/71/64/71/1131716471.db2.gz CWQSYRWDNLADOW-GOSISDBHSA-N 2 1 276.468 3.707 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(C)n1 ZINC000772950169 1131721391 /nfs/dbraw/zinc/72/13/91/1131721391.db2.gz GCQSUPQSYHXDKJ-HNNXBMFYSA-N 2 1 289.467 3.612 20 0 CHADMP CCCCCC(CCCCC)[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001246631908 1131742070 /nfs/dbraw/zinc/74/20/70/1131742070.db2.gz UHIZZXCYXZXROQ-UHFFFAOYSA-N 2 1 266.473 3.811 20 0 CHADMP CC(C)(C)C1CCC([N@@H+]2CCCC[C@]23CC[NH2+]C3)CC1 ZINC001246649724 1131775556 /nfs/dbraw/zinc/77/55/56/1131775556.db2.gz QAPOFJCJGOYYRC-LEOMRAHMSA-N 2 1 278.484 3.809 20 0 CHADMP CC(C)(C)C1CCC([N@H+]2CCCC[C@]23CC[NH2+]C3)CC1 ZINC001246649724 1131775561 /nfs/dbraw/zinc/77/55/61/1131775561.db2.gz QAPOFJCJGOYYRC-LEOMRAHMSA-N 2 1 278.484 3.809 20 0 CHADMP CCC[C@H](C)CC[C@@H](C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC001246683192 1131781179 /nfs/dbraw/zinc/78/11/79/1131781179.db2.gz ZXPMXXSRBJRNBV-LSDHHAIUSA-N 2 1 254.462 3.523 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@H+]1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001246687056 1131781405 /nfs/dbraw/zinc/78/14/05/1131781405.db2.gz CXOZSLRDWOYION-CAOSSQGBSA-N 2 1 284.463 3.600 20 0 CHADMP CCCC[N@@H+](CCC)[C@H]1CCN[C@H](c2ccccc2)C1 ZINC001246779868 1131781454 /nfs/dbraw/zinc/78/14/54/1131781454.db2.gz VFWSUIMCASQUQR-ROUUACIJSA-N 2 1 274.452 3.992 20 0 CHADMP CCCC[N@H+](CCC)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246779868 1131781459 /nfs/dbraw/zinc/78/14/59/1131781459.db2.gz VFWSUIMCASQUQR-ROUUACIJSA-N 2 1 274.452 3.992 20 0 CHADMP CCCC[N@@H+](CCC)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246779868 1131781461 /nfs/dbraw/zinc/78/14/61/1131781461.db2.gz VFWSUIMCASQUQR-ROUUACIJSA-N 2 1 274.452 3.992 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001246687057 1131782107 /nfs/dbraw/zinc/78/21/07/1131782107.db2.gz CXOZSLRDWOYION-JONQDZQNSA-N 2 1 284.463 3.600 20 0 CHADMP C[C@@H]1CCCCC[N@H+]1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246770742 1131782330 /nfs/dbraw/zinc/78/23/30/1131782330.db2.gz RZRNAEDFDNXHDY-KLAILNCOSA-N 2 1 264.457 3.563 20 0 CHADMP C[C@@H](Cc1ccccc1Cl)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001246795928 1131784502 /nfs/dbraw/zinc/78/45/02/1131784502.db2.gz JHZNHXRCFJAYTD-AWEZNQCLSA-N 2 1 294.870 3.593 20 0 CHADMP C1CC2(C[N@H+]1C1CCC3(CCC[NH2+]C3)CC1)CCCCC2 ZINC001246995162 1131838728 /nfs/dbraw/zinc/83/87/28/1131838728.db2.gz BGDYKVBBJQPPNW-UHFFFAOYSA-N 2 1 290.495 3.955 20 0 CHADMP CCCCC(CCCC)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247014476 1131841907 /nfs/dbraw/zinc/84/19/07/1131841907.db2.gz KLEPLNKUKKGJSG-RDJZCZTQSA-N 2 1 266.473 3.809 20 0 CHADMP CCCCC(CCCC)[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247014476 1131841909 /nfs/dbraw/zinc/84/19/09/1131841909.db2.gz KLEPLNKUKKGJSG-RDJZCZTQSA-N 2 1 266.473 3.809 20 0 CHADMP CC(C)(C)C1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140801956 1131924101 /nfs/dbraw/zinc/92/41/01/1131924101.db2.gz LRIBWDJTFSAMNX-UHFFFAOYSA-N 2 1 271.408 3.821 20 0 CHADMP C[N@H+](CCCc1ccccc1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140803783 1131926704 /nfs/dbraw/zinc/92/67/04/1131926704.db2.gz WDTCXZVPHQRQBQ-UHFFFAOYSA-N 2 1 279.387 3.628 20 0 CHADMP C[N@@H+](CCCc1ccccc1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140803783 1131926709 /nfs/dbraw/zinc/92/67/09/1131926709.db2.gz WDTCXZVPHQRQBQ-UHFFFAOYSA-N 2 1 279.387 3.628 20 0 CHADMP C[N@@H+](CCc1ccc(Cl)cc1)Cc1c[nH]c2ccncc12 ZINC001140807264 1131930550 /nfs/dbraw/zinc/93/05/50/1131930550.db2.gz SRXXAUMYTDBPAQ-UHFFFAOYSA-N 2 1 299.805 3.891 20 0 CHADMP C[N@H+](CCc1ccc(Cl)cc1)Cc1cnc2cc[nH]cc1-2 ZINC001140807264 1131930552 /nfs/dbraw/zinc/93/05/52/1131930552.db2.gz SRXXAUMYTDBPAQ-UHFFFAOYSA-N 2 1 299.805 3.891 20 0 CHADMP C[N@H+](CCc1ccc(Cl)cc1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140807264 1131930561 /nfs/dbraw/zinc/93/05/61/1131930561.db2.gz SRXXAUMYTDBPAQ-UHFFFAOYSA-N 2 1 299.805 3.891 20 0 CHADMP C[N@@H+](CCc1ccc(Cl)cc1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140807264 1131930564 /nfs/dbraw/zinc/93/05/64/1131930564.db2.gz SRXXAUMYTDBPAQ-UHFFFAOYSA-N 2 1 299.805 3.891 20 0 CHADMP CC[N@@H+](Cc1c[nH]c2ccncc12)Cc1ccc(C)cc1 ZINC001140805564 1131931306 /nfs/dbraw/zinc/93/13/06/1131931306.db2.gz JFLWLSNWTFEBIN-UHFFFAOYSA-N 2 1 279.387 3.893 20 0 CHADMP CC[N@H+](Cc1cnc2cc[nH]cc1-2)Cc1ccc(C)cc1 ZINC001140805564 1131931312 /nfs/dbraw/zinc/93/13/12/1131931312.db2.gz JFLWLSNWTFEBIN-UHFFFAOYSA-N 2 1 279.387 3.893 20 0 CHADMP CC[N@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccc(C)cc1 ZINC001140805564 1131931328 /nfs/dbraw/zinc/93/13/28/1131931328.db2.gz JFLWLSNWTFEBIN-UHFFFAOYSA-N 2 1 279.387 3.893 20 0 CHADMP CC[N@@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccc(C)cc1 ZINC001140805564 1131931333 /nfs/dbraw/zinc/93/13/33/1131931333.db2.gz JFLWLSNWTFEBIN-UHFFFAOYSA-N 2 1 279.387 3.893 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC001140804812 1131931377 /nfs/dbraw/zinc/93/13/77/1131931377.db2.gz GGNLJGOPIVOPRV-QGZVFWFLSA-N 2 1 263.344 3.510 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC001140804812 1131931383 /nfs/dbraw/zinc/93/13/83/1131931383.db2.gz GGNLJGOPIVOPRV-QGZVFWFLSA-N 2 1 263.344 3.510 20 0 CHADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CCc2c(C)cccc2C1 ZINC001171549747 1132051426 /nfs/dbraw/zinc/05/14/26/1132051426.db2.gz FLIWVZIRBXHNJL-GOSISDBHSA-N 2 1 288.479 3.564 20 0 CHADMP CC1(C)C[C@H]([NH2+]C23CC(C2)C3)CC[N@H+]1Cc1ccccc1 ZINC001171963016 1132113116 /nfs/dbraw/zinc/11/31/16/1132113116.db2.gz DLJWCPOVXHOHJZ-TVRKMHQQSA-N 2 1 284.447 3.572 20 0 CHADMP CC1(C)C[C@@H](n2cccc2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001171967538 1132113215 /nfs/dbraw/zinc/11/32/15/1132113215.db2.gz ARGXROXGTKKKMP-KRWDZBQOSA-N 2 1 297.446 3.563 20 0 CHADMP CC1(C)C[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982308 1132119419 /nfs/dbraw/zinc/11/94/19/1132119419.db2.gz HFKLVYBOMFYGJG-SJORKVTESA-N 2 1 286.463 3.818 20 0 CHADMP CC1(C)C[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982302 1132119728 /nfs/dbraw/zinc/11/97/28/1132119728.db2.gz HFKLVYBOMFYGJG-DLBZAZTESA-N 2 1 286.463 3.818 20 0 CHADMP Cc1cc(C)c(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC001172101898 1132123377 /nfs/dbraw/zinc/12/33/77/1132123377.db2.gz ICILBGVJABUHNG-BCDXTJNWSA-N 2 1 286.463 3.717 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(Cl)ccc1F)C2 ZINC001172100199 1132124607 /nfs/dbraw/zinc/12/46/07/1132124607.db2.gz AUKNGLIUDDNKKI-QKDCVEJESA-N 2 1 296.817 3.584 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(Cl)ccc1F)C2 ZINC001172100199 1132124610 /nfs/dbraw/zinc/12/46/10/1132124610.db2.gz AUKNGLIUDDNKKI-QKDCVEJESA-N 2 1 296.817 3.584 20 0 CHADMP C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172069299 1132124817 /nfs/dbraw/zinc/12/48/17/1132124817.db2.gz OTKKVQJDUCTQIQ-RSPOEFSDSA-N 2 1 298.474 3.914 20 0 CHADMP C[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172069299 1132124822 /nfs/dbraw/zinc/12/48/22/1132124822.db2.gz OTKKVQJDUCTQIQ-RSPOEFSDSA-N 2 1 298.474 3.914 20 0 CHADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172069299 1132124825 /nfs/dbraw/zinc/12/48/25/1132124825.db2.gz OTKKVQJDUCTQIQ-RSPOEFSDSA-N 2 1 298.474 3.914 20 0 CHADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172069299 1132124829 /nfs/dbraw/zinc/12/48/29/1132124829.db2.gz OTKKVQJDUCTQIQ-RSPOEFSDSA-N 2 1 298.474 3.914 20 0 CHADMP CCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172063665 1132125206 /nfs/dbraw/zinc/12/52/06/1132125206.db2.gz BAYBKCFQOHJNEB-NNZMDNLPSA-N 2 1 272.436 3.572 20 0 CHADMP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172100223 1132125895 /nfs/dbraw/zinc/12/58/95/1132125895.db2.gz BIYNADVETDPSBW-OWLYRPNTSA-N 2 1 272.436 3.661 20 0 CHADMP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172100223 1132125901 /nfs/dbraw/zinc/12/59/01/1132125901.db2.gz BIYNADVETDPSBW-OWLYRPNTSA-N 2 1 272.436 3.661 20 0 CHADMP CC1CC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172067304 1132126147 /nfs/dbraw/zinc/12/61/47/1132126147.db2.gz MKSYAHQRAYAVQL-YBUMUKGHSA-N 2 1 298.474 3.960 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(F)ccc1Cl)C2 ZINC001172100560 1132126357 /nfs/dbraw/zinc/12/63/57/1132126357.db2.gz FBGMHDXVDUCSFG-QKDCVEJESA-N 2 1 296.817 3.584 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(F)ccc1Cl)C2 ZINC001172100560 1132126359 /nfs/dbraw/zinc/12/63/59/1132126359.db2.gz FBGMHDXVDUCSFG-QKDCVEJESA-N 2 1 296.817 3.584 20 0 CHADMP CC[N@H+](Cc1ccc(C)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172131607 1132128508 /nfs/dbraw/zinc/12/85/08/1132128508.db2.gz XOFAQJNMLNTRIL-BWTSREIZSA-N 2 1 286.463 3.832 20 0 CHADMP CC[N@@H+](Cc1ccc(C)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172131607 1132128511 /nfs/dbraw/zinc/12/85/11/1132128511.db2.gz XOFAQJNMLNTRIL-BWTSREIZSA-N 2 1 286.463 3.832 20 0 CHADMP CC[NH+](Cc1ccc(C)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172131607 1132128513 /nfs/dbraw/zinc/12/85/13/1132128513.db2.gz XOFAQJNMLNTRIL-BWTSREIZSA-N 2 1 286.463 3.832 20 0 CHADMP CC[NH+](Cc1ccc(C)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172131607 1132128517 /nfs/dbraw/zinc/12/85/17/1132128517.db2.gz XOFAQJNMLNTRIL-BWTSREIZSA-N 2 1 286.463 3.832 20 0 CHADMP CC[N@H+](Cc1ccc(C)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172131609 1132128567 /nfs/dbraw/zinc/12/85/67/1132128567.db2.gz XOFAQJNMLNTRIL-REPLKXPHSA-N 2 1 286.463 3.832 20 0 CHADMP CC[N@@H+](Cc1ccc(C)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172131609 1132128569 /nfs/dbraw/zinc/12/85/69/1132128569.db2.gz XOFAQJNMLNTRIL-REPLKXPHSA-N 2 1 286.463 3.832 20 0 CHADMP CC[NH+](Cc1ccc(C)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172131609 1132128571 /nfs/dbraw/zinc/12/85/71/1132128571.db2.gz XOFAQJNMLNTRIL-REPLKXPHSA-N 2 1 286.463 3.832 20 0 CHADMP CC[NH+](Cc1ccc(C)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172131609 1132128574 /nfs/dbraw/zinc/12/85/74/1132128574.db2.gz XOFAQJNMLNTRIL-REPLKXPHSA-N 2 1 286.463 3.832 20 0 CHADMP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172107169 1132129046 /nfs/dbraw/zinc/12/90/46/1132129046.db2.gz UBHKHYPQOJGTRH-SFNKJDCFSA-N 2 1 284.447 3.587 20 0 CHADMP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172107169 1132129050 /nfs/dbraw/zinc/12/90/50/1132129050.db2.gz UBHKHYPQOJGTRH-SFNKJDCFSA-N 2 1 284.447 3.587 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(C3CC3)c1)C2 ZINC001172107788 1132129061 /nfs/dbraw/zinc/12/90/61/1132129061.db2.gz CGPJBUIZAJUDRR-REPLKXPHSA-N 2 1 284.447 3.669 20 0 CHADMP C[C@H]1[C@H]2C[C@@H](C[C@H]1[NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2(C)C ZINC001172110065 1132129473 /nfs/dbraw/zinc/12/94/73/1132129473.db2.gz JKSBZUBVKQJKSA-DPHFHPJJSA-N 2 1 290.495 3.662 20 0 CHADMP C[C@H]1[C@H]2C[C@@H](C[C@H]1[NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2(C)C ZINC001172110065 1132129476 /nfs/dbraw/zinc/12/94/76/1132129476.db2.gz JKSBZUBVKQJKSA-DPHFHPJJSA-N 2 1 290.495 3.662 20 0 CHADMP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172107170 1132129542 /nfs/dbraw/zinc/12/95/42/1132129542.db2.gz UBHKHYPQOJGTRH-VXIBKDFQSA-N 2 1 284.447 3.587 20 0 CHADMP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172107170 1132129544 /nfs/dbraw/zinc/12/95/44/1132129544.db2.gz UBHKHYPQOJGTRH-VXIBKDFQSA-N 2 1 284.447 3.587 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(F)c1Cl)C2 ZINC001172104549 1132129754 /nfs/dbraw/zinc/12/97/54/1132129754.db2.gz CPPQQQBFJRHCSB-ZSOGYDGISA-N 2 1 296.817 3.584 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(F)c1Cl)C2 ZINC001172104549 1132129759 /nfs/dbraw/zinc/12/97/59/1132129759.db2.gz CPPQQQBFJRHCSB-ZSOGYDGISA-N 2 1 296.817 3.584 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc3occc3c1)C2 ZINC001172104341 1132130373 /nfs/dbraw/zinc/13/03/73/1132130373.db2.gz DYJOFRKSMIDAEX-OSYLJGHBSA-N 2 1 284.403 3.538 20 0 CHADMP CCC[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccncc1 ZINC001172113603 1132133477 /nfs/dbraw/zinc/13/34/77/1132133477.db2.gz DSRNFHWLIDSUEK-ZJPYXAASSA-N 2 1 287.451 3.528 20 0 CHADMP CCC[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC001172113603 1132133479 /nfs/dbraw/zinc/13/34/79/1132133479.db2.gz DSRNFHWLIDSUEK-ZJPYXAASSA-N 2 1 287.451 3.528 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CC13CCC(F)(F)CC3)C2 ZINC001172113678 1132133640 /nfs/dbraw/zinc/13/36/40/1132133640.db2.gz IOMSHUFQVHFURZ-LXTVHRRPSA-N 2 1 298.421 3.559 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CC13CCC(F)(F)CC3)C2 ZINC001172113678 1132133644 /nfs/dbraw/zinc/13/36/44/1132133644.db2.gz IOMSHUFQVHFURZ-LXTVHRRPSA-N 2 1 298.421 3.559 20 0 CHADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(C)o1 ZINC001172112419 1132133953 /nfs/dbraw/zinc/13/39/53/1132133953.db2.gz WDAWGHBRUBQGEU-QKPAOTATSA-N 2 1 276.424 3.644 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CCC2 ZINC001172111612 1132134395 /nfs/dbraw/zinc/13/43/95/1132134395.db2.gz VUUMVYAKVZIJCN-FTEYMNFISA-N 2 1 298.474 3.977 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CCC2 ZINC001172111612 1132134399 /nfs/dbraw/zinc/13/43/99/1132134399.db2.gz VUUMVYAKVZIJCN-FTEYMNFISA-N 2 1 298.474 3.977 20 0 CHADMP Cc1cc([C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1F ZINC001172119445 1132134470 /nfs/dbraw/zinc/13/44/70/1132134470.db2.gz ZVYNTILIBMFXSH-DZUCGIPZSA-N 2 1 290.426 3.800 20 0 CHADMP Cc1cc([C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1F ZINC001172119445 1132134473 /nfs/dbraw/zinc/13/44/73/1132134473.db2.gz ZVYNTILIBMFXSH-DZUCGIPZSA-N 2 1 290.426 3.800 20 0 CHADMP C[N@@H+](Cc1cccc(Cl)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172122906 1132136423 /nfs/dbraw/zinc/13/64/23/1132136423.db2.gz VLHPFGUINVRHCQ-FVQHAEBGSA-N 2 1 292.854 3.787 20 0 CHADMP C[NH+](Cc1cccc(Cl)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172122906 1132136425 /nfs/dbraw/zinc/13/64/25/1132136425.db2.gz VLHPFGUINVRHCQ-FVQHAEBGSA-N 2 1 292.854 3.787 20 0 CHADMP C[NH+](Cc1cccc(Cl)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172122906 1132136427 /nfs/dbraw/zinc/13/64/27/1132136427.db2.gz VLHPFGUINVRHCQ-FVQHAEBGSA-N 2 1 292.854 3.787 20 0 CHADMP COc1cc[nH+]c(Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC001204086765 1132142308 /nfs/dbraw/zinc/14/23/08/1132142308.db2.gz FZACNFGLFGZOMT-UHFFFAOYSA-N 2 1 297.402 3.820 20 0 CHADMP CC[C@H](C)OCC[C@@H](C)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001172315211 1132155994 /nfs/dbraw/zinc/15/59/94/1132155994.db2.gz GFSZWDPFJGCECY-CVEARBPZSA-N 2 1 284.488 3.564 20 0 CHADMP CC[C@@H](C)OCC[C@@H](C)[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172334210 1132173843 /nfs/dbraw/zinc/17/38/43/1132173843.db2.gz LTQIANVLAPVQKC-BRSBDYLESA-N 2 1 298.515 3.808 20 0 CHADMP CC[C@H](CC(C)C)[NH2+][C@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001172402629 1132195280 /nfs/dbraw/zinc/19/52/80/1132195280.db2.gz TUCVGLJCTMCDBT-XHSDSOJGSA-N 2 1 254.462 3.520 20 0 CHADMP CC[C@H](CC(C)C)[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001172391523 1132216347 /nfs/dbraw/zinc/21/63/47/1132216347.db2.gz HVFSMTWJFJIHRX-YRXWBPOGSA-N 2 1 286.463 3.531 20 0 CHADMP CC[C@H](CC(C)C)[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001172391523 1132216350 /nfs/dbraw/zinc/21/63/50/1132216350.db2.gz HVFSMTWJFJIHRX-YRXWBPOGSA-N 2 1 286.463 3.531 20 0 CHADMP CC[C@H](CC(C)C)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001172401023 1132223574 /nfs/dbraw/zinc/22/35/74/1132223574.db2.gz MVKWBZVLVOGSHN-HZPDHXFCSA-N 2 1 254.462 3.652 20 0 CHADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCC3(CCCC3)CC2)C1 ZINC001172725128 1132299754 /nfs/dbraw/zinc/29/97/54/1132299754.db2.gz NRNDIXCTHYDHNH-MRXNPFEDSA-N 2 1 278.484 3.811 20 0 CHADMP CCCOC1CCC([NH2+]CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001173092567 1132384315 /nfs/dbraw/zinc/38/43/15/1132384315.db2.gz VEDRAZPLUIRQLF-AOCRQIFASA-N 2 1 296.499 3.578 20 0 CHADMP CC[NH+](CC)C1CCC([N@@H+](CC)Cc2ccncc2)CC1 ZINC001173108213 1132391966 /nfs/dbraw/zinc/39/19/66/1132391966.db2.gz GIWAYRWFMUYYTI-UHFFFAOYSA-N 2 1 289.467 3.557 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2Cc3cccc(C)c3C2)CC1 ZINC001173110512 1132393324 /nfs/dbraw/zinc/39/33/24/1132393324.db2.gz UVHYAFCSBLTVGT-UHFFFAOYSA-N 2 1 286.463 3.964 20 0 CHADMP CC[NH+](CC)C1CCC([N@@H+](C)CC(C)(C)C)CC1 ZINC001173112068 1132393761 /nfs/dbraw/zinc/39/37/61/1132393761.db2.gz PMYJNMKVSIELEP-UHFFFAOYSA-N 2 1 254.462 3.617 20 0 CHADMP CC[NH+](CC)C1CCC([N@@H+](C)CC2CCCC2)CC1 ZINC001173112961 1132394050 /nfs/dbraw/zinc/39/40/50/1132394050.db2.gz FPEURCGRKTWUFI-UHFFFAOYSA-N 2 1 266.473 3.761 20 0 CHADMP CC[NH+](CC)C1CCC([N@@H+]2CCn3cccc3[C@H]2C)CC1 ZINC001173113513 1132394419 /nfs/dbraw/zinc/39/44/19/1132394419.db2.gz RQUTXBYTEYERTA-KLAILNCOSA-N 2 1 289.467 3.518 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCn3cccc3[C@H]2C)CC1 ZINC001173113513 1132394428 /nfs/dbraw/zinc/39/44/28/1132394428.db2.gz RQUTXBYTEYERTA-KLAILNCOSA-N 2 1 289.467 3.518 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](C(F)(F)F)C2)CC1 ZINC001173114716 1132395095 /nfs/dbraw/zinc/39/50/95/1132395095.db2.gz RFJPZFIUYQKYBV-HSBZDZAISA-N 2 1 292.389 3.524 20 0 CHADMP CCC[C@@H]1CCCC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014558 1132410251 /nfs/dbraw/zinc/41/02/51/1132410251.db2.gz QLOJLQGVSWOLRR-OAHLLOKOSA-N 2 1 257.381 3.718 20 0 CHADMP c1c2c[nH+]ccc2[nH]c1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC001232015654 1132410557 /nfs/dbraw/zinc/41/05/57/1132410557.db2.gz KBSXGPWJLYIHEV-QGZVFWFLSA-N 2 1 263.344 3.510 20 0 CHADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC001232015654 1132410560 /nfs/dbraw/zinc/41/05/60/1132410560.db2.gz KBSXGPWJLYIHEV-QGZVFWFLSA-N 2 1 263.344 3.510 20 0 CHADMP C[C@H]1CC[C@H]([N@@H+](C)Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232018968 1132412990 /nfs/dbraw/zinc/41/29/90/1132412990.db2.gz UJDJFOISNDHSQG-NNUKFRKNSA-N 2 1 257.381 3.573 20 0 CHADMP C[C@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@H]([NH3+])C1 ZINC001173206882 1132415481 /nfs/dbraw/zinc/41/54/81/1132415481.db2.gz XYJNKIQAHINHSB-APWZRJJASA-N 2 1 294.442 3.630 20 0 CHADMP C[C@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@H]([NH3+])C1 ZINC001173206882 1132415489 /nfs/dbraw/zinc/41/54/89/1132415489.db2.gz XYJNKIQAHINHSB-APWZRJJASA-N 2 1 294.442 3.630 20 0 CHADMP CCCC[C@H](CC(C)C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001173248764 1132418478 /nfs/dbraw/zinc/41/84/78/1132418478.db2.gz FYNWSYBACGNXFS-CVEARBPZSA-N 2 1 254.462 3.665 20 0 CHADMP CCCC[C@@H](CC(C)C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001173250821 1132420564 /nfs/dbraw/zinc/42/05/64/1132420564.db2.gz VUHAKEGSLMJPFF-CVEARBPZSA-N 2 1 254.462 3.665 20 0 CHADMP CCCCC[N@@H+](C)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232143284 1132427934 /nfs/dbraw/zinc/42/79/34/1132427934.db2.gz AMSDUDJAHTZUOU-UHFFFAOYSA-N 2 1 266.404 3.509 20 0 CHADMP CCC[N@@H+](Cc1cc(F)cc(C[NH+](C)C)c1)[C@@H](C)CC ZINC001232143465 1132428668 /nfs/dbraw/zinc/42/86/68/1132428668.db2.gz FFPNKGAHHSFNRW-AWEZNQCLSA-N 2 1 280.431 3.898 20 0 CHADMP CC[C@H]1CC[C@H]([NH2+]C2CCN(c3[nH+]cccc3C)CC2)C1 ZINC001173262201 1132430848 /nfs/dbraw/zinc/43/08/48/1132430848.db2.gz CADGUPNTNPKUGU-RDJZCZTQSA-N 2 1 287.451 3.527 20 0 CHADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000842471658 1132432987 /nfs/dbraw/zinc/43/29/87/1132432987.db2.gz PHYQWNRKJORYTC-KRWDZBQOSA-N 2 1 278.415 3.872 20 0 CHADMP CC[N@@H+](CCCCCCC[NH3+])[C@H](C)c1cccc(O)c1 ZINC000842472061 1132433095 /nfs/dbraw/zinc/43/30/95/1132433095.db2.gz ORQDIDLDPKGRHT-OAHLLOKOSA-N 2 1 278.440 3.684 20 0 CHADMP CCSC[C@H](C)[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173299243 1132447250 /nfs/dbraw/zinc/44/72/50/1132447250.db2.gz SYJURXUGPPSDNE-DZKIICNBSA-N 2 1 284.513 3.643 20 0 CHADMP CN1CCC[C@@H]2C[N@H+]([C@@H]3CCCC4(CCCCC4)C3)C[C@H]21 ZINC001173349143 1132474166 /nfs/dbraw/zinc/47/41/66/1132474166.db2.gz NOOAMLRSLHNQRU-KZNAEPCWSA-N 2 1 290.495 3.906 20 0 CHADMP CN1CCC[C@@H]2C[N@H+]([C@H]3CCCC4(CCCCC4)C3)C[C@H]21 ZINC001173349137 1132474862 /nfs/dbraw/zinc/47/48/62/1132474862.db2.gz NOOAMLRSLHNQRU-FGTMMUONSA-N 2 1 290.495 3.906 20 0 CHADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cccc3c(F)cccc23)C1 ZINC001206641274 1132570070 /nfs/dbraw/zinc/57/00/70/1132570070.db2.gz VOXXKUNPVJOPKT-AWEZNQCLSA-N 2 1 286.394 3.540 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206641586 1132573233 /nfs/dbraw/zinc/57/32/33/1132573233.db2.gz ZHAMMSPZVANBIK-AWEZNQCLSA-N 2 1 280.843 3.518 20 0 CHADMP Cc1ccc(Cl)cc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001233250484 1132588597 /nfs/dbraw/zinc/58/85/97/1132588597.db2.gz MMENVYOURAVITF-UHFFFAOYSA-N 2 1 292.854 3.566 20 0 CHADMP Cc1cc(NC[C@H]2CCC[NH2+]C[C@@H]2C)[nH+]c2ccccc12 ZINC001155026438 1132636344 /nfs/dbraw/zinc/63/63/44/1132636344.db2.gz SZJFLEGQGXQLHS-LSDHHAIUSA-N 2 1 283.419 3.591 20 0 CHADMP Cc1[nH+]ccn1CCNc1nccc2cc(Cl)ccc21 ZINC001156007418 1132676909 /nfs/dbraw/zinc/67/69/09/1132676909.db2.gz OPFDXYVHYAXQRB-UHFFFAOYSA-N 2 1 286.766 3.505 20 0 CHADMP Cc1ccc2c(C)cc(N3CCC[C@](C)(C[NH3+])C3)[nH+]c2c1C ZINC001158682270 1132789366 /nfs/dbraw/zinc/78/93/66/1132789366.db2.gz CDFNJNWRZZLHPQ-LJQANCHMSA-N 2 1 297.446 3.725 20 0 CHADMP CC[NH+](CC)c1ccc(NC2=CCC[NH2+]CC2)c(C)c1 ZINC001159655398 1132886022 /nfs/dbraw/zinc/88/60/22/1132886022.db2.gz AZFXDKAZCZIJFG-UHFFFAOYSA-N 2 1 273.424 3.520 20 0 CHADMP Cc1cc(Nc2cc[nH+]c(-c3ccccc3)c2)cc[nH+]1 ZINC001174653132 1132950826 /nfs/dbraw/zinc/95/08/26/1132950826.db2.gz BUKHGMDXPRYGMH-UHFFFAOYSA-N 2 1 261.328 3.618 20 0 CHADMP C[C@@H](C[NH3+])CN(Cc1ccccc1)c1cc(C2CC2)cc[nH+]1 ZINC001160661677 1132977390 /nfs/dbraw/zinc/97/73/90/1132977390.db2.gz HUMIHTILDCOBPB-HNNXBMFYSA-N 2 1 295.430 3.560 20 0 CHADMP COC(=[NH2+])c1cccc(-n2ccc3cc([C@@H](C)[NH3+])ccc32)c1 ZINC001162908974 1133121236 /nfs/dbraw/zinc/12/12/36/1133121236.db2.gz TYHALSOIYCEJKV-GFCCVEGCSA-N 2 1 293.370 3.622 20 0 CHADMP CC1(C)CCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001203180824 1133305018 /nfs/dbraw/zinc/30/50/18/1133305018.db2.gz DZGSMCYSFDMQFM-HOTGVXAUSA-N 2 1 278.484 3.952 20 0 CHADMP CC1(C)CCC[C@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001203180824 1133305022 /nfs/dbraw/zinc/30/50/22/1133305022.db2.gz DZGSMCYSFDMQFM-HOTGVXAUSA-N 2 1 278.484 3.952 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccs1 ZINC001204015420 1133399998 /nfs/dbraw/zinc/39/99/98/1133399998.db2.gz AVKROKPBBIPTNB-LSDHHAIUSA-N 2 1 278.465 3.587 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cccs1 ZINC001204015420 1133400003 /nfs/dbraw/zinc/40/00/03/1133400003.db2.gz AVKROKPBBIPTNB-LSDHHAIUSA-N 2 1 278.465 3.587 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cccs1 ZINC001204015420 1133400007 /nfs/dbraw/zinc/40/00/07/1133400007.db2.gz AVKROKPBBIPTNB-LSDHHAIUSA-N 2 1 278.465 3.587 20 0 CHADMP Cc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)cc1 ZINC001204174590 1133415058 /nfs/dbraw/zinc/41/50/58/1133415058.db2.gz YLBKMACTAUGNBK-OALUTQOASA-N 2 1 286.463 3.834 20 0 CHADMP Cc1ccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cc1 ZINC001204174590 1133415061 /nfs/dbraw/zinc/41/50/61/1133415061.db2.gz YLBKMACTAUGNBK-OALUTQOASA-N 2 1 286.463 3.834 20 0 CHADMP Cc1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cc1 ZINC001204174590 1133415066 /nfs/dbraw/zinc/41/50/66/1133415066.db2.gz YLBKMACTAUGNBK-OALUTQOASA-N 2 1 286.463 3.834 20 0 CHADMP CC(C)(C)[N@@H+](CC[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC001204604463 1133466291 /nfs/dbraw/zinc/46/62/91/1133466291.db2.gz PWJMDQNGOSKLSU-KRWDZBQOSA-N 2 1 274.452 3.819 20 0 CHADMP CC(C)CCCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC001204616508 1133468343 /nfs/dbraw/zinc/46/83/43/1133468343.db2.gz YUFBDCDEXVDPMF-MRXNPFEDSA-N 2 1 254.462 3.619 20 0 CHADMP CC(C)CCCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC001204616508 1133468348 /nfs/dbraw/zinc/46/83/48/1133468348.db2.gz YUFBDCDEXVDPMF-MRXNPFEDSA-N 2 1 254.462 3.619 20 0 CHADMP CC(C)CCCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC001204616508 1133468351 /nfs/dbraw/zinc/46/83/51/1133468351.db2.gz YUFBDCDEXVDPMF-MRXNPFEDSA-N 2 1 254.462 3.619 20 0 CHADMP CC[N@H+]1CCc2cc(-c3ccc(C[NH+](C)C)cc3)ccc2C1 ZINC001204631595 1133469099 /nfs/dbraw/zinc/46/90/99/1133469099.db2.gz IUETUACYWCPPBJ-UHFFFAOYSA-N 2 1 294.442 3.793 20 0 CHADMP CCOC(=[NH2+])c1cccc(-c2ccc(C[NH+](C)C)cc2)c1 ZINC001204642000 1133470849 /nfs/dbraw/zinc/47/08/49/1133470849.db2.gz NGAPKOFDUOKXFG-UHFFFAOYSA-N 2 1 282.387 3.777 20 0 CHADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(C)ccc3ccccc32)C1 ZINC001205009588 1133517138 /nfs/dbraw/zinc/51/71/38/1133517138.db2.gz YCVLFYLUUVNHNT-INIZCTEOSA-N 2 1 282.431 3.580 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(C)sc3ccccc32)C1 ZINC001205009245 1133517284 /nfs/dbraw/zinc/51/72/84/1133517284.db2.gz KGVFCVFUIJSEGI-CQSZACIVSA-N 2 1 288.460 3.641 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3[C@@H](C)CC[C@H]3C[NH3+])cc2)o1 ZINC001205075315 1133523729 /nfs/dbraw/zinc/52/37/29/1133523729.db2.gz HXJAKDHGKGMNSN-GUYCJALGSA-N 2 1 284.403 3.567 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3[C@@H](C)CC[C@H]3C[NH3+])cc2)o1 ZINC001205075315 1133523732 /nfs/dbraw/zinc/52/37/32/1133523732.db2.gz HXJAKDHGKGMNSN-GUYCJALGSA-N 2 1 284.403 3.567 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001205076847 1133524419 /nfs/dbraw/zinc/52/44/19/1133524419.db2.gz XOTSWQPHUONXDC-KSSFIOAISA-N 2 1 292.426 3.569 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001205076847 1133524423 /nfs/dbraw/zinc/52/44/23/1133524423.db2.gz XOTSWQPHUONXDC-KSSFIOAISA-N 2 1 292.426 3.569 20 0 CHADMP CC[NH+]1CCC(C[N@@H+](C)[C@H](C)c2ccccc2F)CC1 ZINC001205077333 1133525742 /nfs/dbraw/zinc/52/57/42/1133525742.db2.gz LAZHNAVTDIEQBP-CQSZACIVSA-N 2 1 278.415 3.550 20 0 CHADMP Cc1c(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])cccc1-c1ccccc1 ZINC001205089068 1133527242 /nfs/dbraw/zinc/52/72/42/1133527242.db2.gz XADGAESGXQSNAW-KXBFYZLASA-N 2 1 294.442 3.974 20 0 CHADMP Cc1c(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])cccc1-c1ccccc1 ZINC001205089068 1133527245 /nfs/dbraw/zinc/52/72/45/1133527245.db2.gz XADGAESGXQSNAW-KXBFYZLASA-N 2 1 294.442 3.974 20 0 CHADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC001205095571 1133528779 /nfs/dbraw/zinc/52/87/79/1133528779.db2.gz ZDTDTEGIUZAFTK-QGZVFWFLSA-N 2 1 296.414 3.792 20 0 CHADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)CC1 ZINC001205102620 1133530036 /nfs/dbraw/zinc/53/00/36/1133530036.db2.gz URTRJSUCYMNABP-LJQANCHMSA-N 2 1 298.405 3.806 20 0 CHADMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cccc2c3ccccc3sc21 ZINC001205182627 1133541680 /nfs/dbraw/zinc/54/16/80/1133541680.db2.gz DWGFJFWICJNYMR-MLGOLLRUSA-N 2 1 296.439 3.976 20 0 CHADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cccc2c3ccccc3sc21 ZINC001205182627 1133541682 /nfs/dbraw/zinc/54/16/82/1133541682.db2.gz DWGFJFWICJNYMR-MLGOLLRUSA-N 2 1 296.439 3.976 20 0 CHADMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1 ZINC001205264329 1133551657 /nfs/dbraw/zinc/55/16/57/1133551657.db2.gz KNPCEEOGUJUVNQ-SFHVURJKSA-N 2 1 274.452 3.687 20 0 CHADMP COc1cc2ccccc2cc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205288771 1133555104 /nfs/dbraw/zinc/55/51/04/1133555104.db2.gz OGNGTSYVRRCCRY-LJQANCHMSA-N 2 1 298.430 3.552 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc3[nH]ccc32)CC1 ZINC001205304382 1133556684 /nfs/dbraw/zinc/55/66/84/1133556684.db2.gz BCNHBQCLBLVNRH-UHFFFAOYSA-N 2 1 299.462 3.864 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205305951 1133558377 /nfs/dbraw/zinc/55/83/77/1133558377.db2.gz USISBSITRAFKHO-PBHICJAKSA-N 2 1 282.431 3.565 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205537602 1133586139 /nfs/dbraw/zinc/58/61/39/1133586139.db2.gz INNPOXZYEQFCDX-HZPDHXFCSA-N 2 1 270.436 3.522 20 0 CHADMP CC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2SC)CC1 ZINC001205609438 1133593666 /nfs/dbraw/zinc/59/36/66/1133593666.db2.gz RUFXUGQNKRKFBF-UHFFFAOYSA-N 2 1 292.492 3.572 20 0 CHADMP CCCCc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1 ZINC001205639192 1133597004 /nfs/dbraw/zinc/59/70/04/1133597004.db2.gz XIDWPNSMFXOZDZ-APWZRJJASA-N 2 1 288.479 3.836 20 0 CHADMP CCCCc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001205639195 1133597694 /nfs/dbraw/zinc/59/76/94/1133597694.db2.gz XIDWPNSMFXOZDZ-VQIMIIECSA-N 2 1 288.479 3.836 20 0 CHADMP Cc1cc(F)cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1Cl ZINC001205654552 1133599966 /nfs/dbraw/zinc/59/99/66/1133599966.db2.gz XFADOIHNWFZTNI-WCQYABFASA-N 2 1 298.833 3.594 20 0 CHADMP CC[N@@H+](CCCC1CCCCC1)CCC[NH+](C)C ZINC001205692085 1133603195 /nfs/dbraw/zinc/60/31/95/1133603195.db2.gz CFOYMOHALPQHCQ-UHFFFAOYSA-N 2 1 254.462 3.621 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001205716595 1133606258 /nfs/dbraw/zinc/60/62/58/1133606258.db2.gz JZGDQRBNRBSUNU-QYZOEREBSA-N 2 1 286.463 3.787 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001205716595 1133606262 /nfs/dbraw/zinc/60/62/62/1133606262.db2.gz JZGDQRBNRBSUNU-QYZOEREBSA-N 2 1 286.463 3.787 20 0 CHADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC001205807028 1133615920 /nfs/dbraw/zinc/61/59/20/1133615920.db2.gz XIKHYRTYSCYUDV-PBHICJAKSA-N 2 1 274.452 3.543 20 0 CHADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC001205807028 1133615923 /nfs/dbraw/zinc/61/59/23/1133615923.db2.gz XIKHYRTYSCYUDV-PBHICJAKSA-N 2 1 274.452 3.543 20 0 CHADMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001205828952 1133620092 /nfs/dbraw/zinc/62/00/92/1133620092.db2.gz NLVGKBWPLSSXPW-QFBILLFUSA-N 2 1 294.442 3.913 20 0 CHADMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001205828952 1133620095 /nfs/dbraw/zinc/62/00/95/1133620095.db2.gz NLVGKBWPLSSXPW-QFBILLFUSA-N 2 1 294.442 3.913 20 0 CHADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccccc1-c1ccccc1 ZINC001205913546 1133629743 /nfs/dbraw/zinc/62/97/43/1133629743.db2.gz IYQWLYRZXUCYOR-SJLPKXTDSA-N 2 1 294.442 3.913 20 0 CHADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC001205912742 1133629920 /nfs/dbraw/zinc/62/99/20/1133629920.db2.gz BXAVZNUJXQTKIR-ZBFHGGJFSA-N 2 1 284.403 3.506 20 0 CHADMP C[C@@H]1C[N@@H+](CCCCCc2ccccc2)CCC[C@@H]1C[NH3+] ZINC001205985304 1133637846 /nfs/dbraw/zinc/63/78/46/1133637846.db2.gz WYUWPUFOWCPZGU-IEBWSBKVSA-N 2 1 288.479 3.706 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)o2)CCC[C@H]1C[NH3+] ZINC001206011599 1133641444 /nfs/dbraw/zinc/64/14/44/1133641444.db2.gz FJLKHRKEFUIYOD-RDJZCZTQSA-N 2 1 298.430 3.753 20 0 CHADMP CCCC[C@H](CC)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206292716 1133684160 /nfs/dbraw/zinc/68/41/60/1133684160.db2.gz DJDUCOJTYVYSPT-JKSUJKDBSA-N 2 1 254.462 3.654 20 0 CHADMP CCCc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)s1 ZINC001206304472 1133686818 /nfs/dbraw/zinc/68/68/18/1133686818.db2.gz LFMMYTLFGGZOCA-MRXNPFEDSA-N 2 1 280.481 3.652 20 0 CHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(-c3ccccc3)o2)CC1 ZINC001206318327 1133688728 /nfs/dbraw/zinc/68/87/28/1133688728.db2.gz PLDXVYLUKZVTJM-LJQANCHMSA-N 2 1 298.430 3.898 20 0 CHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(C3CC3)cc2)CC1 ZINC001206318132 1133688870 /nfs/dbraw/zinc/68/88/70/1133688870.db2.gz MUQRJCDJRUEYCZ-GOSISDBHSA-N 2 1 272.436 3.515 20 0 CHADMP CC(C)c1ccc(CC[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001206541808 1133714791 /nfs/dbraw/zinc/71/47/91/1133714791.db2.gz KTKFLZQZJWRNNW-LJQANCHMSA-N 2 1 288.479 3.803 20 0 CHADMP Cc1cccc(Cl)c1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206547137 1133715775 /nfs/dbraw/zinc/71/57/75/1133715775.db2.gz BZAOBZHEXGJAFZ-INIZCTEOSA-N 2 1 280.843 3.599 20 0 CHADMP CC[C@H](CCC(F)(F)F)[NH2+]CCC[N@@H+](C)CC(C)C ZINC001206537647 1133716238 /nfs/dbraw/zinc/71/62/38/1133716238.db2.gz LOEMTOVZHUEONR-CYBMUJFWSA-N 2 1 282.394 3.675 20 0 CHADMP CCSc1ccccc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206580505 1133722243 /nfs/dbraw/zinc/72/22/43/1133722243.db2.gz DCCMLXIVUZCBHD-QGZVFWFLSA-N 2 1 292.492 3.750 20 0 CHADMP CC(C)[N@@H+](Cc1cccc2c1ccn2C)[C@H]1CCC[NH2+]CC1 ZINC001206591295 1133723513 /nfs/dbraw/zinc/72/35/13/1133723513.db2.gz QUDYTNOZFLCOPD-KRWDZBQOSA-N 2 1 299.462 3.531 20 0 CHADMP CC(C)[N@H+](Cc1cc(F)ccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC001206591646 1133724347 /nfs/dbraw/zinc/72/43/47/1133724347.db2.gz UQCRLWWHQYFJGX-OAHLLOKOSA-N 2 1 298.833 3.832 20 0 CHADMP CC(C)[N@@H+](Cc1cc(F)ccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC001206591646 1133724351 /nfs/dbraw/zinc/72/43/51/1133724351.db2.gz UQCRLWWHQYFJGX-OAHLLOKOSA-N 2 1 298.833 3.832 20 0 CHADMP Cc1cc(C)c(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc1C ZINC001206591624 1133724514 /nfs/dbraw/zinc/72/45/14/1133724514.db2.gz UGUNNUQKGUJEHP-IBGZPJMESA-N 2 1 288.479 3.964 20 0 CHADMP CCc1cccc(C)c1C[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206599545 1133725140 /nfs/dbraw/zinc/72/51/40/1133725140.db2.gz UQXLMVKEPDJVKH-SFHVURJKSA-N 2 1 288.479 3.910 20 0 CHADMP Cc1cc(F)cc(C)c1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206597679 1133725743 /nfs/dbraw/zinc/72/57/43/1133725743.db2.gz DZCVZLUDDHAODK-KRWDZBQOSA-N 2 1 292.442 3.795 20 0 CHADMP CC(C)[N@@H+](Cc1cccc2occc21)[C@@H]1CCC[NH2+]CC1 ZINC001206597965 1133726098 /nfs/dbraw/zinc/72/60/98/1133726098.db2.gz GVVYUPZCSJYVCU-MRXNPFEDSA-N 2 1 286.419 3.785 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H](C[NH3+])CC[C@@H]3C)cc2)o1 ZINC001206767440 1133745762 /nfs/dbraw/zinc/74/57/62/1133745762.db2.gz BIJURJYFRWHLOI-YOEHRIQHSA-N 2 1 298.430 3.814 20 0 CHADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cccc(-c2ccccc2)c1 ZINC001206770451 1133746039 /nfs/dbraw/zinc/74/60/39/1133746039.db2.gz SDIXTFVPNXDAFS-AEFFLSMTSA-N 2 1 294.442 3.913 20 0 CHADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccccc1-c1ccccc1 ZINC001206771853 1133746699 /nfs/dbraw/zinc/74/66/99/1133746699.db2.gz YIQSIXVOFNXSKW-IAGOWNOFSA-N 2 1 294.442 3.913 20 0 CHADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc(C)c1Cl ZINC001206811395 1133751260 /nfs/dbraw/zinc/75/12/60/1133751260.db2.gz SYHRHDGFYYWNFL-KGLIPLIRSA-N 2 1 280.843 3.516 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)C[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001207195330 1133778300 /nfs/dbraw/zinc/77/83/00/1133778300.db2.gz FQWHXLKCOJANDG-NVXWUHKLSA-N 2 1 294.870 3.717 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1cccc2ccccc21 ZINC001207281384 1133787165 /nfs/dbraw/zinc/78/71/65/1133787165.db2.gz BCPXSQYCYQMEGT-UHFFFAOYSA-N 2 1 284.447 3.859 20 0 CHADMP CC[C@H]1c2ccccc2CC[N@@H+]1CC(C)(C)C[NH+](C)C ZINC001207287819 1133788806 /nfs/dbraw/zinc/78/88/06/1133788806.db2.gz GMPVJYFVMBSKSF-KRWDZBQOSA-N 2 1 274.452 3.584 20 0 CHADMP C[NH+](C)CC(C)(C)C[NH+]1CCC(c2ccccc2F)CC1 ZINC001207285882 1133789167 /nfs/dbraw/zinc/78/91/67/1133789167.db2.gz PNSOGISAELGCFZ-UHFFFAOYSA-N 2 1 292.442 3.593 20 0 CHADMP CC[N@@H+](CCC1CC[NH+](C)CC1)Cc1ccc(Cl)cc1 ZINC001207486074 1133805718 /nfs/dbraw/zinc/80/57/18/1133805718.db2.gz DHLVHKXQEUEDKH-UHFFFAOYSA-N 2 1 294.870 3.894 20 0 CHADMP CC/C=C\CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001208135768 1133883185 /nfs/dbraw/zinc/88/31/85/1133883185.db2.gz INHJAQWCUWEVMQ-PYSGZSLQSA-N 2 1 298.474 3.797 20 0 CHADMP CC/C=C\CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001208135768 1133883189 /nfs/dbraw/zinc/88/31/89/1133883189.db2.gz INHJAQWCUWEVMQ-PYSGZSLQSA-N 2 1 298.474 3.797 20 0 CHADMP CC/C=C\CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001208135768 1133883193 /nfs/dbraw/zinc/88/31/93/1133883193.db2.gz INHJAQWCUWEVMQ-PYSGZSLQSA-N 2 1 298.474 3.797 20 0 CHADMP C[NH+](C)CC1(C[N@H+]2CCCc3ccccc3C2)CCCC1 ZINC001208185551 1133902108 /nfs/dbraw/zinc/90/21/08/1133902108.db2.gz FQWQKFHQTCSWFV-UHFFFAOYSA-N 2 1 286.463 3.557 20 0 CHADMP C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2c2ccccc2)C1 ZINC001208604597 1133920086 /nfs/dbraw/zinc/92/00/86/1133920086.db2.gz QZDJUGNBAFYWJW-FUHWJXTLSA-N 2 1 272.436 3.555 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2c2ccccc2)C1 ZINC001208604597 1133920092 /nfs/dbraw/zinc/92/00/92/1133920092.db2.gz QZDJUGNBAFYWJW-FUHWJXTLSA-N 2 1 272.436 3.555 20 0 CHADMP C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2c2ccccc2)C1 ZINC001208604597 1133920097 /nfs/dbraw/zinc/92/00/97/1133920097.db2.gz QZDJUGNBAFYWJW-FUHWJXTLSA-N 2 1 272.436 3.555 20 0 CHADMP C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2c2ccccc2)C1 ZINC001208604597 1133920101 /nfs/dbraw/zinc/92/01/01/1133920101.db2.gz QZDJUGNBAFYWJW-FUHWJXTLSA-N 2 1 272.436 3.555 20 0 CHADMP CC[C@@H]1c2ccccc2CC[N@@H+]1CC1CC[NH+](CC)CC1 ZINC001208601955 1133920365 /nfs/dbraw/zinc/92/03/65/1133920365.db2.gz UOZWUWBJKLUTEQ-LJQANCHMSA-N 2 1 286.463 3.728 20 0 CHADMP C[C@@H](CC[NH+]1CCC([NH+]2CCC2)CC1)CC(C)(C)C ZINC001208663399 1133924117 /nfs/dbraw/zinc/92/41/17/1133924117.db2.gz JXGNDLQQSVGAEJ-HNNXBMFYSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@H](CC[N@@H+](C)CC1CC[NH+](C)CC1)CC(C)(C)C ZINC001208661940 1133924834 /nfs/dbraw/zinc/92/48/34/1133924834.db2.gz YRGYGPPSRYAYFH-OAHLLOKOSA-N 2 1 268.489 3.722 20 0 CHADMP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](CCC2CC2)CC1 ZINC001208686140 1133927252 /nfs/dbraw/zinc/92/72/52/1133927252.db2.gz KKICSOGUGNEKRR-UHFFFAOYSA-N 2 1 290.426 3.522 20 0 CHADMP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](CCC2CC2)CC1 ZINC001208686140 1133927256 /nfs/dbraw/zinc/92/72/56/1133927256.db2.gz KKICSOGUGNEKRR-UHFFFAOYSA-N 2 1 290.426 3.522 20 0 CHADMP CC/C=C\CC[N@H+](C)C1CC[NH+](CCCC)CC1 ZINC001208734209 1133937430 /nfs/dbraw/zinc/93/74/30/1133937430.db2.gz RZSNBEXNEWVHLJ-VURMDHGXSA-N 2 1 252.446 3.539 20 0 CHADMP CC1(C)CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208949592 1133964969 /nfs/dbraw/zinc/96/49/69/1133964969.db2.gz LRSOATBEPAERAX-SFHVURJKSA-N 2 1 286.463 3.631 20 0 CHADMP CC[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208935027 1133965454 /nfs/dbraw/zinc/96/54/54/1133965454.db2.gz HQFPGQZGKFGZAI-RBUKOAKNSA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208935027 1133965460 /nfs/dbraw/zinc/96/54/60/1133965460.db2.gz HQFPGQZGKFGZAI-RBUKOAKNSA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@@H]1CCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208935027 1133965466 /nfs/dbraw/zinc/96/54/66/1133965466.db2.gz HQFPGQZGKFGZAI-RBUKOAKNSA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@@H]1CCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208935027 1133965471 /nfs/dbraw/zinc/96/54/71/1133965471.db2.gz HQFPGQZGKFGZAI-RBUKOAKNSA-N 2 1 286.463 3.773 20 0 CHADMP CC(C)[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC001208947483 1133966670 /nfs/dbraw/zinc/96/66/70/1133966670.db2.gz KROQNBAROULLHC-GOSISDBHSA-N 2 1 274.452 3.627 20 0 CHADMP CC(C)[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC001208947483 1133966674 /nfs/dbraw/zinc/96/66/74/1133966674.db2.gz KROQNBAROULLHC-GOSISDBHSA-N 2 1 274.452 3.627 20 0 CHADMP C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208947492 1133967237 /nfs/dbraw/zinc/96/72/37/1133967237.db2.gz KVPLJBBVJPKEKS-ZIFCJYIRSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208947492 1133967242 /nfs/dbraw/zinc/96/72/42/1133967242.db2.gz KVPLJBBVJPKEKS-ZIFCJYIRSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H]1CCC[C@H](C)[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208947492 1133967247 /nfs/dbraw/zinc/96/72/47/1133967247.db2.gz KVPLJBBVJPKEKS-ZIFCJYIRSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H]1CCC[C@H](C)[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208947492 1133967250 /nfs/dbraw/zinc/96/72/50/1133967250.db2.gz KVPLJBBVJPKEKS-ZIFCJYIRSA-N 2 1 286.463 3.771 20 0 CHADMP Fc1ccccc1[C@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC001209449109 1134024243 /nfs/dbraw/zinc/02/42/43/1134024243.db2.gz RYFJIFLVVJTRQY-GOSISDBHSA-N 2 1 290.426 3.839 20 0 CHADMP Fc1ccccc1[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC001209449109 1134024248 /nfs/dbraw/zinc/02/42/48/1134024248.db2.gz RYFJIFLVVJTRQY-GOSISDBHSA-N 2 1 290.426 3.839 20 0 CHADMP C[C@@H]1CC[N@H+](Cc2cccc(-c3ccsc3)c2)CC[NH2+]1 ZINC001210496112 1134229410 /nfs/dbraw/zinc/22/94/10/1134229410.db2.gz DGYQUKLJAUGGDQ-CQSZACIVSA-N 2 1 286.444 3.599 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccsc3)c2)CC[NH2+]1 ZINC001210496112 1134229414 /nfs/dbraw/zinc/22/94/14/1134229414.db2.gz DGYQUKLJAUGGDQ-CQSZACIVSA-N 2 1 286.444 3.599 20 0 CHADMP Cn1c[nH+]c2cccc(NC3=CC[C@H]([NH+]4CCCC4)CC3)c21 ZINC001210714514 1134279971 /nfs/dbraw/zinc/27/99/71/1134279971.db2.gz XEEIFRSTIWMASA-HNNXBMFYSA-N 2 1 296.418 3.517 20 0 CHADMP Fc1cccc2c(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)cccc12 ZINC001222155114 1135201191 /nfs/dbraw/zinc/20/11/91/1135201191.db2.gz WCGOXYWJSVZNGZ-LJQANCHMSA-N 2 1 298.405 3.554 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222232517 1135211360 /nfs/dbraw/zinc/21/13/60/1135211360.db2.gz VVAFFQJRHOLYCZ-QZTJIDSGSA-N 2 1 278.484 3.977 20 0 CHADMP c1ccc(CCCCC[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222237372 1135212629 /nfs/dbraw/zinc/21/26/29/1135212629.db2.gz HFXAPTURTQILEI-IBGZPJMESA-N 2 1 286.463 3.617 20 0 CHADMP C[C@H](CC[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1)CC(C)(C)C ZINC001222258846 1135216116 /nfs/dbraw/zinc/21/61/16/1135216116.db2.gz HBVGYLSJOBCXDL-AEFFLSMTSA-N 2 1 280.500 3.914 20 0 CHADMP c1cc(C2CCC2)ccc1C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222252229 1135214892 /nfs/dbraw/zinc/21/48/92/1135214892.db2.gz BCKFOBNDZVPDDQ-LJQANCHMSA-N 2 1 284.447 3.672 20 0 CHADMP c1cc(C2CCC2)ccc1C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222252229 1135214896 /nfs/dbraw/zinc/21/48/96/1135214896.db2.gz BCKFOBNDZVPDDQ-LJQANCHMSA-N 2 1 284.447 3.672 20 0 CHADMP C[C@H](CC[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1)CC(C)(C)C ZINC001222258848 1135215531 /nfs/dbraw/zinc/21/55/31/1135215531.db2.gz HBVGYLSJOBCXDL-SJLPKXTDSA-N 2 1 280.500 3.914 20 0 CHADMP C[C@@H](CC[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1)CC(C)(C)C ZINC001222258849 1135215895 /nfs/dbraw/zinc/21/58/95/1135215895.db2.gz HBVGYLSJOBCXDL-WMZOPIPTSA-N 2 1 280.500 3.914 20 0 CHADMP Cc1c(Cl)cccc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222277985 1135216763 /nfs/dbraw/zinc/21/67/63/1135216763.db2.gz UYOIDDLCHLBPAF-QGZVFWFLSA-N 2 1 292.854 3.614 20 0 CHADMP Cc1c(Cl)cccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222277985 1135216768 /nfs/dbraw/zinc/21/67/68/1135216768.db2.gz UYOIDDLCHLBPAF-QGZVFWFLSA-N 2 1 292.854 3.614 20 0 CHADMP CC(C)=CCC[C@@H](C)C[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001222287136 1135218945 /nfs/dbraw/zinc/21/89/45/1135218945.db2.gz ANICXDOHGNXSBT-QGZVFWFLSA-N 2 1 278.484 3.977 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222309229 1135223315 /nfs/dbraw/zinc/22/33/15/1135223315.db2.gz OOHIGNHMIOPCHS-MSOLQXFVSA-N 2 1 278.484 3.977 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c(C)c1 ZINC001222310817 1135223364 /nfs/dbraw/zinc/22/33/64/1135223364.db2.gz WFJTZESMPSLLCP-IBGZPJMESA-N 2 1 286.463 3.720 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222309232 1135223372 /nfs/dbraw/zinc/22/33/72/1135223372.db2.gz OOHIGNHMIOPCHS-ZWKOTPCHSA-N 2 1 278.484 3.977 20 0 CHADMP Clc1csc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222315933 1135224291 /nfs/dbraw/zinc/22/42/91/1135224291.db2.gz RKDIOXVMHCQATH-CQSZACIVSA-N 2 1 284.856 3.510 20 0 CHADMP Clc1csc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222315933 1135224297 /nfs/dbraw/zinc/22/42/97/1135224297.db2.gz RKDIOXVMHCQATH-CQSZACIVSA-N 2 1 284.856 3.510 20 0 CHADMP Clc1sccc1C[N@@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222320391 1135225595 /nfs/dbraw/zinc/22/55/95/1135225595.db2.gz IBKOWPNCWCWZDC-CQSZACIVSA-N 2 1 284.856 3.510 20 0 CHADMP Clc1sccc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222320391 1135225602 /nfs/dbraw/zinc/22/56/02/1135225602.db2.gz IBKOWPNCWCWZDC-CQSZACIVSA-N 2 1 284.856 3.510 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222344639 1135229467 /nfs/dbraw/zinc/22/94/67/1135229467.db2.gz BBJMYDKSQUROOX-ROUUACIJSA-N 2 1 278.484 3.977 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222344639 1135229470 /nfs/dbraw/zinc/22/94/70/1135229470.db2.gz BBJMYDKSQUROOX-ROUUACIJSA-N 2 1 278.484 3.977 20 0 CHADMP C[C@@H](CC[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1)CC(C)(C)C ZINC001222345030 1135229793 /nfs/dbraw/zinc/22/97/93/1135229793.db2.gz GYKLXPBVAOPLLQ-RDJZCZTQSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@@H](CC[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1)CC(C)(C)C ZINC001222345030 1135229799 /nfs/dbraw/zinc/22/97/99/1135229799.db2.gz GYKLXPBVAOPLLQ-RDJZCZTQSA-N 2 1 266.473 3.667 20 0 CHADMP c1c(C[N@H+]2CCCC3(CCCC3)C2)sc2c1CC[NH2+]C2 ZINC001222400856 1135237144 /nfs/dbraw/zinc/23/71/44/1135237144.db2.gz LAISAGGKAJMLSC-UHFFFAOYSA-N 2 1 290.476 3.550 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222421720 1135239511 /nfs/dbraw/zinc/23/95/11/1135239511.db2.gz OYTLDTBPVZUVCA-DLBZAZTESA-N 2 1 264.457 3.587 20 0 CHADMP C[C@H](CC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2)CC(C)(C)C ZINC001222421710 1135239890 /nfs/dbraw/zinc/23/98/90/1135239890.db2.gz OXROPHOUMPHRCH-NVXWUHKLSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@H](CC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2)CC(C)(C)C ZINC001222421710 1135239894 /nfs/dbraw/zinc/23/98/94/1135239894.db2.gz OXROPHOUMPHRCH-NVXWUHKLSA-N 2 1 266.473 3.667 20 0 CHADMP c1ccc(-c2cccc(C[N@H+]3CC[C@H]4C[NH2+]CC[C@H]43)c2)cc1 ZINC001222620419 1135256561 /nfs/dbraw/zinc/25/65/61/1135256561.db2.gz RJIQQKZBGMBSED-VQTJNVASSA-N 2 1 292.426 3.537 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001222619969 1135256604 /nfs/dbraw/zinc/25/66/04/1135256604.db2.gz BXHQEFXNQFIKRA-FUHWJXTLSA-N 2 1 286.463 3.558 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Oc2ccncc2)C3)cc1 ZINC001225291895 1135537231 /nfs/dbraw/zinc/53/72/31/1135537231.db2.gz AMPPXHIMXRFOCP-IZZQQSIFSA-N 2 1 294.398 3.656 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000192923208 529615252 /nfs/dbraw/zinc/61/52/52/529615252.db2.gz YQERAZFTIJUATM-ROUUACIJSA-N 2 1 274.452 3.533 20 0 CHADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2cc(F)cc(Cl)c2)CC1 ZINC000355047926 530051041 /nfs/dbraw/zinc/05/10/41/530051041.db2.gz DAMNETHRJZKACM-UHFFFAOYSA-N 2 1 296.817 3.539 20 0 CHADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cc(F)cc(Cl)c2)CC1 ZINC000355047926 530051042 /nfs/dbraw/zinc/05/10/42/530051042.db2.gz DAMNETHRJZKACM-UHFFFAOYSA-N 2 1 296.817 3.539 20 0 CHADMP CC1=C[C@H](C)C[C@H](C[N@H+](C)C2CC[NH+](C(C)C)CC2)C1 ZINC000574491867 335023824 /nfs/dbraw/zinc/02/38/24/335023824.db2.gz FQMYGDKXLPCOIE-RDJZCZTQSA-N 2 1 278.484 3.783 20 0 CHADMP CSc1ccc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1F ZINC000348008537 533001550 /nfs/dbraw/zinc/00/15/50/533001550.db2.gz IIKTWGNCCMJGCR-VXGBXAGGSA-N 2 1 284.444 3.538 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000020126039 171009669 /nfs/dbraw/zinc/00/96/69/171009669.db2.gz FGHRSANYYMAFJE-JTQLQIEISA-N 2 1 287.234 3.738 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](C)c2cccc3ccccc32)CC1 ZINC000020136795 171024391 /nfs/dbraw/zinc/02/43/91/171024391.db2.gz QHFHDKANYIKOHK-OAHLLOKOSA-N 2 1 282.431 3.975 20 0 CHADMP C[N@@H+](CCC[NH2+][C@@H]1CCc2ccccc21)Cc1ccccc1 ZINC000020827445 171273974 /nfs/dbraw/zinc/27/39/74/171273974.db2.gz LFZPLXNZMQWMDU-HXUWFJFHSA-N 2 1 294.442 3.786 20 0 CHADMP C[C@H](C[NH2+]CC1([NH+](C)C)CCCCC1)c1ccccc1 ZINC000021520231 171315767 /nfs/dbraw/zinc/31/57/67/171315767.db2.gz GNGIQKGGDWEVLC-MRXNPFEDSA-N 2 1 274.452 3.644 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](CC(C)C)c2ccccc2)CC1 ZINC000035012704 171930458 /nfs/dbraw/zinc/93/04/58/171930458.db2.gz YCQONWICMBGRSR-SFHVURJKSA-N 2 1 274.452 3.848 20 0 CHADMP C[C@H](C[NH2+][C@@H](C)c1ccccc1F)C[NH+]1CCCCC1 ZINC000038041755 174042794 /nfs/dbraw/zinc/04/27/94/174042794.db2.gz JOCHEXROAUIRHR-CABCVRRESA-N 2 1 278.415 3.598 20 0 CHADMP C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1F)C[NH+]1CCCCC1 ZINC000038041695 174042833 /nfs/dbraw/zinc/04/28/33/174042833.db2.gz UEYVUYCZDJJMRY-ZIAGYGMSSA-N 2 1 296.405 3.737 20 0 CHADMP C[C@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000347058572 226008377 /nfs/dbraw/zinc/00/83/77/226008377.db2.gz WRDJPWPKNGNSAB-KXBFYZLASA-N 2 1 280.415 3.523 20 0 CHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC000347045665 226026666 /nfs/dbraw/zinc/02/66/66/226026666.db2.gz NVFQACYZBBMNPR-JXFKEZNVSA-N 2 1 294.442 3.913 20 0 CHADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(C(F)F)cc1)CC[NH2+]CC2 ZINC000335277477 226122257 /nfs/dbraw/zinc/12/22/57/226122257.db2.gz HTJMFDZXAWYOAF-ZDUSSCGKSA-N 2 1 294.389 3.588 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]CCC1CCCCCC1 ZINC000347893513 226383910 /nfs/dbraw/zinc/38/39/10/226383910.db2.gz DAJGVYBGWDMYIZ-UHFFFAOYSA-N 2 1 263.429 3.532 20 0 CHADMP CCc1ccc([C@H](CC)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000322973139 260112493 /nfs/dbraw/zinc/11/24/93/260112493.db2.gz YZOONMLALYTORT-IPQPSQTFSA-N 2 1 286.463 3.915 20 0 CHADMP CCc1ccc([C@@H](CC)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037648977 260115611 /nfs/dbraw/zinc/11/56/11/260115611.db2.gz VWTAWAUVHPHEBN-QFBILLFUSA-N 2 1 286.463 3.774 20 0 CHADMP CCc1ccc([C@@H](CC)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037648979 260115681 /nfs/dbraw/zinc/11/56/81/260115681.db2.gz VWTAWAUVHPHEBN-VQIMIIECSA-N 2 1 286.463 3.774 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H]1CCC[C@@H](C)C1 ZINC000516815294 260132411 /nfs/dbraw/zinc/13/24/11/260132411.db2.gz MRPMABHELFKDTB-SJORKVTESA-N 2 1 291.483 3.984 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H]1CCC[C@@H](C)C1 ZINC000516815294 260132412 /nfs/dbraw/zinc/13/24/12/260132412.db2.gz MRPMABHELFKDTB-SJORKVTESA-N 2 1 291.483 3.984 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169679 260152965 /nfs/dbraw/zinc/15/29/65/260152965.db2.gz NJVFXRNNBKQSQW-HZPDHXFCSA-N 2 1 282.431 3.962 20 0 CHADMP C[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C(C)(C)C)CC2)CC1 ZINC000086955374 260211115 /nfs/dbraw/zinc/21/11/15/260211115.db2.gz HKIZMPDMIBBHOW-CABCVRRESA-N 2 1 266.473 3.665 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2CCC3(CCCC3)CC2)CC[N@@H+]1C ZINC000129451617 260386912 /nfs/dbraw/zinc/38/69/12/260386912.db2.gz BBGYNAAETKTEJY-GDBMZVCRSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2CCC3(CCCC3)CC2)CC[N@H+]1C ZINC000129451617 260386914 /nfs/dbraw/zinc/38/69/14/260386914.db2.gz BBGYNAAETKTEJY-GDBMZVCRSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2CCC(C(C)(C)C)CC2)CC[N@@H+]1C ZINC000090721770 260393195 /nfs/dbraw/zinc/39/31/95/260393195.db2.gz GTMRSXWDQTUVKV-SLTXQBBLSA-N 2 1 266.473 3.664 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2CCC(C(C)(C)C)CC2)CC[N@H+]1C ZINC000090721770 260393197 /nfs/dbraw/zinc/39/31/97/260393197.db2.gz GTMRSXWDQTUVKV-SLTXQBBLSA-N 2 1 266.473 3.664 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C)cc1 ZINC000130146152 260393917 /nfs/dbraw/zinc/39/39/17/260393917.db2.gz DUJCYCFUMVHHDO-KSZLIROESA-N 2 1 272.436 3.663 20 0 CHADMP CCc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000130247393 260394507 /nfs/dbraw/zinc/39/45/07/260394507.db2.gz QYGXORHLFUMFMI-MELADBBJSA-N 2 1 278.465 3.588 20 0 CHADMP C(=C/c1ccccc1)\C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157246942 261143194 /nfs/dbraw/zinc/14/31/94/261143194.db2.gz ZZWDXPMKZHDACZ-ZAOIQFLMSA-N 2 1 284.447 3.650 20 0 CHADMP C(=C/c1ccccc1)\C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157246942 261143196 /nfs/dbraw/zinc/14/31/96/261143196.db2.gz ZZWDXPMKZHDACZ-ZAOIQFLMSA-N 2 1 284.447 3.650 20 0 CHADMP CCC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)C1CCCC1 ZINC000449075694 261150774 /nfs/dbraw/zinc/15/07/74/261150774.db2.gz RLXHRTWIHNUGIU-YOEHRIQHSA-N 2 1 277.456 3.776 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccc(Cl)s1 ZINC000163301230 261311189 /nfs/dbraw/zinc/31/11/89/261311189.db2.gz VRKCLSUAUYOPFT-NWDGAFQWSA-N 2 1 286.872 3.784 20 0 CHADMP CCc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000518763558 261387355 /nfs/dbraw/zinc/38/73/55/261387355.db2.gz WGXOJSZVPUZVNW-QGZVFWFLSA-N 2 1 288.479 3.851 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+][C@@H]2CC=CCC2)C3)cc1 ZINC000180147070 261842868 /nfs/dbraw/zinc/84/28/68/261842868.db2.gz HLZWLAHAJHIBTQ-XUBOLADHSA-N 2 1 296.458 3.880 20 0 CHADMP C[C@@H](NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000309752975 262012961 /nfs/dbraw/zinc/01/29/61/262012961.db2.gz WILDHVVSOAWORE-VQIMIIECSA-N 2 1 298.430 3.842 20 0 CHADMP C[C@@H]([NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1)c1ccco1 ZINC000309752975 262012962 /nfs/dbraw/zinc/01/29/62/262012962.db2.gz WILDHVVSOAWORE-VQIMIIECSA-N 2 1 298.430 3.842 20 0 CHADMP c1csc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000093016605 262148706 /nfs/dbraw/zinc/14/87/06/262148706.db2.gz CIVMKTVOOOOIMP-INIZCTEOSA-N 2 1 292.492 3.836 20 0 CHADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000093016605 262148707 /nfs/dbraw/zinc/14/87/07/262148707.db2.gz CIVMKTVOOOOIMP-INIZCTEOSA-N 2 1 292.492 3.836 20 0 CHADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCC[C@@H]3C3CC3)CC2)[nH+]1 ZINC000497398580 262154785 /nfs/dbraw/zinc/15/47/85/262154785.db2.gz GCVVSMIAFPMWIK-QZTJIDSGSA-N 2 1 299.462 3.527 20 0 CHADMP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cc2ccccc2o1 ZINC000020129142 262229706 /nfs/dbraw/zinc/22/97/06/262229706.db2.gz RDJTXMQDOZJOSA-AWEZNQCLSA-N 2 1 272.392 3.569 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC23CCCC3)CC[N@@H+]1C ZINC000311429849 262249867 /nfs/dbraw/zinc/24/98/67/262249867.db2.gz CMKCGHFNZALTBR-BZUAXINKSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC23CCCC3)CC[N@H+]1C ZINC000311429849 262249869 /nfs/dbraw/zinc/24/98/69/262249869.db2.gz CMKCGHFNZALTBR-BZUAXINKSA-N 2 1 264.457 3.562 20 0 CHADMP CC[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000500073897 262252896 /nfs/dbraw/zinc/25/28/96/262252896.db2.gz JLTORSVAUQMNRC-PKOBYXMFSA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000500073897 262252898 /nfs/dbraw/zinc/25/28/98/262252898.db2.gz JLTORSVAUQMNRC-PKOBYXMFSA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000500073897 262252899 /nfs/dbraw/zinc/25/28/99/262252899.db2.gz JLTORSVAUQMNRC-PKOBYXMFSA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000500073897 262252901 /nfs/dbraw/zinc/25/29/01/262252901.db2.gz JLTORSVAUQMNRC-PKOBYXMFSA-N 2 1 286.463 3.773 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000187160625 262387566 /nfs/dbraw/zinc/38/75/66/262387566.db2.gz XMMHFTTXPPFURK-VQIMIIECSA-N 2 1 299.462 3.685 20 0 CHADMP CCOc1ccccc1[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000021790779 262455429 /nfs/dbraw/zinc/45/54/29/262455429.db2.gz IEPRKTZPMALOQR-INIZCTEOSA-N 2 1 290.451 3.612 20 0 CHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000414183256 262815168 /nfs/dbraw/zinc/81/51/68/262815168.db2.gz NDUPEAUIPTVAJD-DYVFJYSZSA-N 2 1 292.854 3.649 20 0 CHADMP CCC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000414188373 262815849 /nfs/dbraw/zinc/81/58/49/262815849.db2.gz QPMCBDZFVDLARZ-AEFFLSMTSA-N 2 1 274.452 3.849 20 0 CHADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414198940 262817858 /nfs/dbraw/zinc/81/78/58/262817858.db2.gz XADYARSRZFMWRS-IKGGRYGDSA-N 2 1 266.473 3.523 20 0 CHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4)o3)C[C@H]21 ZINC000414671227 263029566 /nfs/dbraw/zinc/02/95/66/263029566.db2.gz NLEQZFIRDKOCOD-CGTJXYLNSA-N 2 1 296.414 3.506 20 0 CHADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414689549 263032508 /nfs/dbraw/zinc/03/25/08/263032508.db2.gz GDVPIDYKBSTXGK-JFIYKMOQSA-N 2 1 274.452 3.704 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+][C@@H](C)C2)s1 ZINC000414687931 263032569 /nfs/dbraw/zinc/03/25/69/263032569.db2.gz CTVMEFQRYGZLDO-CFVMTHIKSA-N 2 1 278.465 3.582 20 0 CHADMP CCC[C@@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000414775181 263043606 /nfs/dbraw/zinc/04/36/06/263043606.db2.gz ZPAUJUHSSZOCKO-OTWHNJEPSA-N 2 1 286.463 3.502 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+]C1CCC(c2ccccc2)CC1 ZINC000414812261 263053308 /nfs/dbraw/zinc/05/33/08/263053308.db2.gz KPNDXAZITJIZOS-DAWZGUTISA-N 2 1 274.452 3.820 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414816388 263053690 /nfs/dbraw/zinc/05/36/90/263053690.db2.gz PSMSXEXXGINEKL-KURKYZTESA-N 2 1 274.452 3.604 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(C3CC3)CC2)C[C@H]1c1ccccc1 ZINC000340310286 263108715 /nfs/dbraw/zinc/10/87/15/263108715.db2.gz WMTULADHKZTTHB-MSOLQXFVSA-N 2 1 284.447 3.602 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CC2(C3CC3)CC2)C[C@H]1c1ccccc1 ZINC000340310286 263108716 /nfs/dbraw/zinc/10/87/16/263108716.db2.gz WMTULADHKZTTHB-MSOLQXFVSA-N 2 1 284.447 3.602 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(C3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000340310287 263108790 /nfs/dbraw/zinc/10/87/90/263108790.db2.gz WMTULADHKZTTHB-QZTJIDSGSA-N 2 1 284.447 3.602 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CC2(C3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000340310287 263108791 /nfs/dbraw/zinc/10/87/91/263108791.db2.gz WMTULADHKZTTHB-QZTJIDSGSA-N 2 1 284.447 3.602 20 0 CHADMP Cc1sccc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000293426182 263140017 /nfs/dbraw/zinc/14/00/17/263140017.db2.gz AUHSMMAOYHARQC-UHFFFAOYSA-N 2 1 278.465 3.553 20 0 CHADMP C[C@@H](C[NH3+])[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000414956831 263161337 /nfs/dbraw/zinc/16/13/37/263161337.db2.gz PZXAZYIXWJEWRT-JTQLQIEISA-N 2 1 280.824 3.505 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000453178869 263199255 /nfs/dbraw/zinc/19/92/55/263199255.db2.gz UFJZRCNPVNRYQE-YJBOKZPZSA-N 2 1 278.484 3.523 20 0 CHADMP FC(F)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415034771 263257212 /nfs/dbraw/zinc/25/72/12/263257212.db2.gz DBMGOTMTJCXNAY-JKSUJKDBSA-N 2 1 294.389 3.588 20 0 CHADMP [NH3+]C[C@H]([NH2+]C1CCC(c2ccccc2)CC1)C1CCCC1 ZINC000415072002 263262552 /nfs/dbraw/zinc/26/25/52/263262552.db2.gz XHGBYTVVAFUCOD-KVZIAJEVSA-N 2 1 286.463 3.820 20 0 CHADMP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000187801656 263268624 /nfs/dbraw/zinc/26/86/24/263268624.db2.gz CEULMMXWUAALBF-LSBZLQRGSA-N 2 1 286.463 3.870 20 0 CHADMP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)CC2 ZINC000187801656 263268625 /nfs/dbraw/zinc/26/86/25/263268625.db2.gz CEULMMXWUAALBF-LSBZLQRGSA-N 2 1 286.463 3.870 20 0 CHADMP Cc1ccccc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415094474 263272134 /nfs/dbraw/zinc/27/21/34/263272134.db2.gz XQDRYMQOCZPIJB-OALUTQOASA-N 2 1 280.415 3.578 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccc(Cl)c1Cl ZINC000415091257 263272717 /nfs/dbraw/zinc/27/27/17/263272717.db2.gz QDAVFYGHYLQATO-QWRGUYRKSA-N 2 1 287.234 3.644 20 0 CHADMP C[C@H](CC(C)(C)C)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415105484 263273663 /nfs/dbraw/zinc/27/36/63/263273663.db2.gz MMMSDOKQQSPRMX-PVAVHDDUSA-N 2 1 274.452 3.894 20 0 CHADMP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415105228 263273727 /nfs/dbraw/zinc/27/37/27/263273727.db2.gz MMMSDOKQQSPRMX-DJIMGWMZSA-N 2 1 274.452 3.894 20 0 CHADMP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415105481 263273918 /nfs/dbraw/zinc/27/39/18/263273918.db2.gz MMMSDOKQQSPRMX-OIISXLGYSA-N 2 1 274.452 3.894 20 0 CHADMP C[C@H](CC(C)(C)C)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415105478 263273984 /nfs/dbraw/zinc/27/39/84/263273984.db2.gz MMMSDOKQQSPRMX-HYVNUMGLSA-N 2 1 274.452 3.894 20 0 CHADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1F ZINC000415106140 263274238 /nfs/dbraw/zinc/27/42/38/263274238.db2.gz MQMUYVIGGXXQOS-HKUYNNGSSA-N 2 1 298.405 3.717 20 0 CHADMP C/C(=C/c1ccccc1)C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000518812526 263282320 /nfs/dbraw/zinc/28/23/20/263282320.db2.gz SAVYZLKFTBMKIH-QZFKAFNDSA-N 2 1 283.419 3.521 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1F ZINC000157470462 264383550 /nfs/dbraw/zinc/38/35/50/264383550.db2.gz SOAJISNWSGOURX-UUWFMWQGSA-N 2 1 284.378 3.930 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000348240488 265147354 /nfs/dbraw/zinc/14/73/54/265147354.db2.gz IBIXIGBDIHYSNH-NEWSRXKRSA-N 2 1 286.463 3.500 20 0 CHADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1csc(Cl)c1 ZINC000191189174 265167338 /nfs/dbraw/zinc/16/73/38/265167338.db2.gz DDLLRYMCRGUGPN-NWDGAFQWSA-N 2 1 286.872 3.784 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)Nc1cc[nH+]cc1Cl ZINC000094272492 265233394 /nfs/dbraw/zinc/23/33/94/265233394.db2.gz ZMFUIDXAFHSENQ-GFCCVEGCSA-N 2 1 269.820 3.657 20 0 CHADMP Cc1cc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)oc2cc1C ZINC000370097116 267290994 /nfs/dbraw/zinc/29/09/94/267290994.db2.gz KGSIAZCHRIEAMH-IAGOWNOFSA-N 2 1 298.430 3.766 20 0 CHADMP Cc1cc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)oc2cc1C ZINC000370097116 267290997 /nfs/dbraw/zinc/29/09/97/267290997.db2.gz KGSIAZCHRIEAMH-IAGOWNOFSA-N 2 1 298.430 3.766 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000534019179 328032983 /nfs/dbraw/zinc/03/29/83/328032983.db2.gz LHIMOLRRRIFXSE-IAGOWNOFSA-N 2 1 274.452 3.848 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000534019180 328033028 /nfs/dbraw/zinc/03/30/28/328033028.db2.gz LHIMOLRRRIFXSE-IRXDYDNUSA-N 2 1 274.452 3.848 20 0 CHADMP CC[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000571446195 328121745 /nfs/dbraw/zinc/12/17/45/328121745.db2.gz ZETGJWOUXYUBPG-QYZOEREBSA-N 2 1 298.474 3.819 20 0 CHADMP CC[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000571446195 328121747 /nfs/dbraw/zinc/12/17/47/328121747.db2.gz ZETGJWOUXYUBPG-QYZOEREBSA-N 2 1 298.474 3.819 20 0 CHADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000571446190 328121868 /nfs/dbraw/zinc/12/18/68/328121868.db2.gz ZETGJWOUXYUBPG-CEXWTWQISA-N 2 1 298.474 3.819 20 0 CHADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000571446190 328121870 /nfs/dbraw/zinc/12/18/70/328121870.db2.gz ZETGJWOUXYUBPG-CEXWTWQISA-N 2 1 298.474 3.819 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccccc1Cl ZINC000267256618 328176093 /nfs/dbraw/zinc/17/60/93/328176093.db2.gz PJELAEJYPHAXML-LBPRGKRZSA-N 2 1 277.799 3.586 20 0 CHADMP C[C@]1(C[NH3+])CC[N@@H+](CC2CCC(c3ccccc3)CC2)C1 ZINC000414728492 328217381 /nfs/dbraw/zinc/21/73/81/328217381.db2.gz CPOKJUKLDNBFRZ-NKELODKYSA-N 2 1 286.463 3.631 20 0 CHADMP C/C(Cl)=C\C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000528458026 328286934 /nfs/dbraw/zinc/28/69/34/328286934.db2.gz RIXLZJMWTITLJU-BDJAAYETSA-N 2 1 292.854 3.629 20 0 CHADMP CC[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000531947168 328328407 /nfs/dbraw/zinc/32/84/07/328328407.db2.gz JNIFJAAFNGXSPP-ZACQAIPSSA-N 2 1 266.473 3.809 20 0 CHADMP CCc1c2ccccc2oc1[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000049553339 328371872 /nfs/dbraw/zinc/37/18/72/328371872.db2.gz XRSPWHDNTCNNCH-ZIAGYGMSSA-N 2 1 288.435 3.986 20 0 CHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc4ccccc43)CC[C@@H]21 ZINC000531988604 328382724 /nfs/dbraw/zinc/38/27/24/328382724.db2.gz LLLHCOHOUZQLPK-ICSRJNTNSA-N 2 1 294.442 3.756 20 0 CHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc4ccccc43)CC[C@@H]21 ZINC000531988604 328382726 /nfs/dbraw/zinc/38/27/26/328382726.db2.gz LLLHCOHOUZQLPK-ICSRJNTNSA-N 2 1 294.442 3.756 20 0 CHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc4ccccc43)CC[C@@H]21 ZINC000531988604 328382728 /nfs/dbraw/zinc/38/27/28/328382728.db2.gz LLLHCOHOUZQLPK-ICSRJNTNSA-N 2 1 294.442 3.756 20 0 CHADMP CSc1ccc([C@H](C)[NH2+]CCC[NH2+]C(C)C)cc1F ZINC000563880421 328545677 /nfs/dbraw/zinc/54/56/77/328545677.db2.gz LYWVUSIWINOPJI-LBPRGKRZSA-N 2 1 284.444 3.586 20 0 CHADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000556872515 326976489 /nfs/dbraw/zinc/97/64/89/326976489.db2.gz YMVPIXLGAHMKKR-KBPBESRZSA-N 2 1 298.421 3.606 20 0 CHADMP CCCC[C@@H](C)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000558160317 327076847 /nfs/dbraw/zinc/07/68/47/327076847.db2.gz ZMJJNPUPGHHFRO-OZSLIKBDSA-N 2 1 266.473 3.806 20 0 CHADMP CCCC[C@@H](C)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000558160317 327076848 /nfs/dbraw/zinc/07/68/48/327076848.db2.gz ZMJJNPUPGHHFRO-OZSLIKBDSA-N 2 1 266.473 3.806 20 0 CHADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(C)sc1C ZINC000558422022 327093152 /nfs/dbraw/zinc/09/31/52/327093152.db2.gz GZOAQJJSEZXFGF-UHFFFAOYSA-N 2 1 280.481 3.673 20 0 CHADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(C)sc1C ZINC000558422022 327093154 /nfs/dbraw/zinc/09/31/54/327093154.db2.gz GZOAQJJSEZXFGF-UHFFFAOYSA-N 2 1 280.481 3.673 20 0 CHADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000558508927 327099937 /nfs/dbraw/zinc/09/99/37/327099937.db2.gz KAMKAKQQMHLMQR-UONOGXRCSA-N 2 1 298.421 3.604 20 0 CHADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000558508927 327099940 /nfs/dbraw/zinc/09/99/40/327099940.db2.gz KAMKAKQQMHLMQR-UONOGXRCSA-N 2 1 298.421 3.604 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000558696929 327114531 /nfs/dbraw/zinc/11/45/31/327114531.db2.gz TUCMGJYFICATRD-DBVUQKKJSA-N 2 1 298.474 3.738 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000558696930 327114552 /nfs/dbraw/zinc/11/45/52/327114552.db2.gz TUCMGJYFICATRD-PWIZWCRZSA-N 2 1 298.474 3.738 20 0 CHADMP Clc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093488113 327123337 /nfs/dbraw/zinc/12/33/37/327123337.db2.gz AAOIDJQNCNARCJ-HYVNUMGLSA-N 2 1 292.854 3.740 20 0 CHADMP Cc1ccncc1CCC[N@H+](C)[C@H]1CCCC[C@@H]1C ZINC000573249513 327129670 /nfs/dbraw/zinc/12/96/70/327129670.db2.gz NCDORRBPFFAMAA-RDJZCZTQSA-N 2 1 260.425 3.833 20 0 CHADMP CC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H](C)c1cc2ccccc2o1 ZINC000261594991 327141072 /nfs/dbraw/zinc/14/10/72/327141072.db2.gz CBARAJXPEPIUGS-CABCVRRESA-N 2 1 286.419 3.815 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H]2C=CCCCCC2)C1 ZINC000559105654 327141259 /nfs/dbraw/zinc/14/12/59/327141259.db2.gz GGYKWJKXNQANIX-IRXDYDNUSA-N 2 1 264.457 3.539 20 0 CHADMP C[C@@H]1C[C@@H](c2ccccc2)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000569351547 327157133 /nfs/dbraw/zinc/15/71/33/327157133.db2.gz HDOMEZQHHPYPKE-AEFFLSMTSA-N 2 1 297.446 3.621 20 0 CHADMP C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000569351547 327157135 /nfs/dbraw/zinc/15/71/35/327157135.db2.gz HDOMEZQHHPYPKE-AEFFLSMTSA-N 2 1 297.446 3.621 20 0 CHADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000316586550 327176053 /nfs/dbraw/zinc/17/60/53/327176053.db2.gz DSQJFDPUVSGDCK-NVXWUHKLSA-N 2 1 296.414 3.791 20 0 CHADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000316586550 327176055 /nfs/dbraw/zinc/17/60/55/327176055.db2.gz DSQJFDPUVSGDCK-NVXWUHKLSA-N 2 1 296.414 3.791 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2)C[C@H]1c1ccccc1 ZINC000559733984 327258980 /nfs/dbraw/zinc/25/89/80/327258980.db2.gz SLDYYIMWHVEGIV-PMACEKPBSA-N 2 1 294.442 3.654 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccccc2)C[C@H]1c1ccccc1 ZINC000559733984 327258981 /nfs/dbraw/zinc/25/89/81/327258981.db2.gz SLDYYIMWHVEGIV-PMACEKPBSA-N 2 1 294.442 3.654 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000559733988 327259009 /nfs/dbraw/zinc/25/90/09/327259009.db2.gz SLDYYIMWHVEGIV-VQTJNVASSA-N 2 1 294.442 3.654 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000559733988 327259010 /nfs/dbraw/zinc/25/90/10/327259010.db2.gz SLDYYIMWHVEGIV-VQTJNVASSA-N 2 1 294.442 3.654 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2C=CCCCCC2)C1 ZINC000559796365 327262071 /nfs/dbraw/zinc/26/20/71/327262071.db2.gz SGAFGVHDJFABLI-SJORKVTESA-N 2 1 264.457 3.539 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2C=CCCCCC2)C1 ZINC000559796365 327262072 /nfs/dbraw/zinc/26/20/72/327262072.db2.gz SGAFGVHDJFABLI-SJORKVTESA-N 2 1 264.457 3.539 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H]2C=CCCCCC2)C1 ZINC000559796365 327262073 /nfs/dbraw/zinc/26/20/73/327262073.db2.gz SGAFGVHDJFABLI-SJORKVTESA-N 2 1 264.457 3.539 20 0 CHADMP CC1=CC[C@@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000559892741 327268818 /nfs/dbraw/zinc/26/88/18/327268818.db2.gz FKGVBEFGJIFQLX-HZPDHXFCSA-N 2 1 264.457 3.585 20 0 CHADMP CC1=CC[C@@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000559892741 327268819 /nfs/dbraw/zinc/26/88/19/327268819.db2.gz FKGVBEFGJIFQLX-HZPDHXFCSA-N 2 1 264.457 3.585 20 0 CHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCCCCF)C2)CC1 ZINC000560158969 327287427 /nfs/dbraw/zinc/28/74/27/327287427.db2.gz DIHBHDUHRMFOGD-QGZVFWFLSA-N 2 1 284.463 3.570 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(C(C)C)C(C)C)C1 ZINC000560258255 327294840 /nfs/dbraw/zinc/29/48/40/327294840.db2.gz VFFVHLXFUPRPNX-INIZCTEOSA-N 2 1 268.489 3.578 20 0 CHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc(Cl)cs3)C2)CC1 ZINC000583348769 327313442 /nfs/dbraw/zinc/31/34/42/327313442.db2.gz DRGYNBVIRHELHS-ZDUSSCGKSA-N 2 1 298.883 3.565 20 0 CHADMP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000560537674 327321245 /nfs/dbraw/zinc/32/12/45/327321245.db2.gz QGUOPYXFIQAIEV-GBESFXJTSA-N 2 1 286.463 3.533 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000560542673 327322008 /nfs/dbraw/zinc/32/20/08/327322008.db2.gz FCZUOPIFOLVPMN-ULQDDVLXSA-N 2 1 278.484 3.665 20 0 CHADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000560594620 327329178 /nfs/dbraw/zinc/32/91/78/327329178.db2.gz FOMNECPNWZIVGD-SQNIBIBYSA-N 2 1 278.484 3.621 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)C1 ZINC000560594620 327329180 /nfs/dbraw/zinc/32/91/80/327329180.db2.gz FOMNECPNWZIVGD-SQNIBIBYSA-N 2 1 278.484 3.621 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000560594620 327329182 /nfs/dbraw/zinc/32/91/82/327329182.db2.gz FOMNECPNWZIVGD-SQNIBIBYSA-N 2 1 278.484 3.621 20 0 CHADMP CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000583404312 327346931 /nfs/dbraw/zinc/34/69/31/327346931.db2.gz NUMXNVPIHKWJLB-WMZOPIPTSA-N 2 1 290.451 3.562 20 0 CHADMP CC[C@@H](c1cccc(OC)c1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000583404312 327346933 /nfs/dbraw/zinc/34/69/33/327346933.db2.gz NUMXNVPIHKWJLB-WMZOPIPTSA-N 2 1 290.451 3.562 20 0 CHADMP CC[C@@H](c1cccc(OC)c1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000583404312 327346935 /nfs/dbraw/zinc/34/69/35/327346935.db2.gz NUMXNVPIHKWJLB-WMZOPIPTSA-N 2 1 290.451 3.562 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261806047 327352306 /nfs/dbraw/zinc/35/23/06/327352306.db2.gz ZFRIEDAOONQCEN-RPTUDFQQSA-N 2 1 280.415 3.570 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2ccccc2C1(C)C ZINC000560971990 327355240 /nfs/dbraw/zinc/35/52/40/327355240.db2.gz HESLAIFSHYAQSC-UHFFFAOYSA-N 2 1 297.446 3.765 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2ccccc2C1(C)C ZINC000560971990 327355242 /nfs/dbraw/zinc/35/52/42/327355242.db2.gz HESLAIFSHYAQSC-UHFFFAOYSA-N 2 1 297.446 3.765 20 0 CHADMP C[C@H](CC[NH2+][C@@H]1CC[C@H]1C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000582128623 327358705 /nfs/dbraw/zinc/35/87/05/327358705.db2.gz YVWVEGBJJJHKKP-AYOQOUSVSA-N 2 1 286.463 3.675 20 0 CHADMP CC[C@H](C[NH2+][C@H]1CCCc2ccccc21)[NH+]1CCCC1 ZINC000360071579 328903266 /nfs/dbraw/zinc/90/32/66/328903266.db2.gz LQXQPZPNWWDMAQ-AEFFLSMTSA-N 2 1 272.436 3.528 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)c2ccccc21 ZINC000377564711 329019220 /nfs/dbraw/zinc/01/92/20/329019220.db2.gz QARCQKVLEZVHHH-QAVIERHMSA-N 2 1 284.447 3.841 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3c(Cl)cccc32)CC[N@@H+]1C ZINC000542662803 329068338 /nfs/dbraw/zinc/06/83/38/329068338.db2.gz LLAXWOFCNRUDHE-XNJGSVPQSA-N 2 1 292.854 3.790 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3c(Cl)cccc32)CC[N@H+]1C ZINC000542662803 329068341 /nfs/dbraw/zinc/06/83/41/329068341.db2.gz LLAXWOFCNRUDHE-XNJGSVPQSA-N 2 1 292.854 3.790 20 0 CHADMP CC(C)Sc1ccc([C@@H](C)NCc2c[nH]cn2)cc1 ZINC000171416373 329075764 /nfs/dbraw/zinc/07/57/64/329075764.db2.gz SHVVTYDKQAAPOD-GFCCVEGCSA-N 2 1 275.421 3.761 20 0 CHADMP Cc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000583709258 329093566 /nfs/dbraw/zinc/09/35/66/329093566.db2.gz SNPMIYVZCOHQNF-GVDBMIGSSA-N 2 1 298.430 3.704 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000394505772 329124356 /nfs/dbraw/zinc/12/43/56/329124356.db2.gz GIRWECUMJCKKRF-IKGGRYGDSA-N 2 1 266.473 3.523 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000226180715 329161925 /nfs/dbraw/zinc/16/19/25/329161925.db2.gz LSMPXBHITDAGMD-UHFFFAOYSA-N 2 1 289.250 3.813 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000226180715 329161927 /nfs/dbraw/zinc/16/19/27/329161927.db2.gz LSMPXBHITDAGMD-UHFFFAOYSA-N 2 1 289.250 3.813 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CCC1 ZINC000178233620 329194969 /nfs/dbraw/zinc/19/49/69/329194969.db2.gz KKESHEAPMYKGOJ-CABCVRRESA-N 2 1 292.492 3.738 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CCC1 ZINC000178233620 329194970 /nfs/dbraw/zinc/19/49/70/329194970.db2.gz KKESHEAPMYKGOJ-CABCVRRESA-N 2 1 292.492 3.738 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(C)(C)C)cc1 ZINC000178678090 329202084 /nfs/dbraw/zinc/20/20/84/329202084.db2.gz GWZFIKVOVLLVKQ-ZDUSSCGKSA-N 2 1 271.408 3.877 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(C)s1 ZINC000178696915 329202432 /nfs/dbraw/zinc/20/24/32/329202432.db2.gz GGEUKWMXJFDFBV-WCQYABFASA-N 2 1 291.464 3.857 20 0 CHADMP c1ccc([C@H]2CCCCC[N@@H+]2CC2CC[NH2+]CC2)cc1 ZINC000178959467 329203275 /nfs/dbraw/zinc/20/32/75/329203275.db2.gz ZQDTYKJVUSZYQI-GOSISDBHSA-N 2 1 272.436 3.603 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1c2cc(C)ccc2C[C@H]1C ZINC000180627267 329221312 /nfs/dbraw/zinc/22/13/12/329221312.db2.gz OEWYVWHURIYOGU-DNVCBOLYSA-N 2 1 297.446 3.803 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000180871779 329223777 /nfs/dbraw/zinc/22/37/77/329223777.db2.gz ZZBNSSONCYZRLK-GFCCVEGCSA-N 2 1 291.826 3.579 20 0 CHADMP CCc1ccc(CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000183101701 329244940 /nfs/dbraw/zinc/24/49/40/329244940.db2.gz WBXOAAGUMXRAGG-HUUCEWRRSA-N 2 1 290.451 3.585 20 0 CHADMP CCc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000183101701 329244942 /nfs/dbraw/zinc/24/49/42/329244942.db2.gz WBXOAAGUMXRAGG-HUUCEWRRSA-N 2 1 290.451 3.585 20 0 CHADMP CCc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000183101701 329244944 /nfs/dbraw/zinc/24/49/44/329244944.db2.gz WBXOAAGUMXRAGG-HUUCEWRRSA-N 2 1 290.451 3.585 20 0 CHADMP CN(C)c1cc[nH+]cc1C[NH2+]CCC1=CCCCCC1 ZINC000185409758 329273143 /nfs/dbraw/zinc/27/31/43/329273143.db2.gz ZZCLUCGTPNXUEV-UHFFFAOYSA-N 2 1 273.424 3.518 20 0 CHADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000583110941 329312892 /nfs/dbraw/zinc/31/28/92/329312892.db2.gz ARYJUCGGYTXYRD-YJBOKZPZSA-N 2 1 288.479 3.756 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000583110941 329312894 /nfs/dbraw/zinc/31/28/94/329312894.db2.gz ARYJUCGGYTXYRD-YJBOKZPZSA-N 2 1 288.479 3.756 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000583110941 329312896 /nfs/dbraw/zinc/31/28/96/329312896.db2.gz ARYJUCGGYTXYRD-YJBOKZPZSA-N 2 1 288.479 3.756 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000583110941 329312897 /nfs/dbraw/zinc/31/28/97/329312897.db2.gz ARYJUCGGYTXYRD-YJBOKZPZSA-N 2 1 288.479 3.756 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CCC(F)(F)CC1 ZINC000459787659 329393403 /nfs/dbraw/zinc/39/34/03/329393403.db2.gz PRSXWWRIFRUXLJ-KBPBESRZSA-N 2 1 288.426 3.522 20 0 CHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C(C2CC2)C2CC2)CC1 ZINC000125069799 329577161 /nfs/dbraw/zinc/57/71/61/329577161.db2.gz YXRIPBROHSWFDO-OAHLLOKOSA-N 2 1 298.474 3.990 20 0 CHADMP CC[C@H](C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000421871763 330100498 /nfs/dbraw/zinc/10/04/98/330100498.db2.gz GEHSZLNSVJVAHH-DSLXNQLJSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379624748 330143285 /nfs/dbraw/zinc/14/32/85/330143285.db2.gz DYFJFKBDGVQYHD-LPHOPBHVSA-N 2 1 286.463 3.962 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000379624748 330143286 /nfs/dbraw/zinc/14/32/86/330143286.db2.gz DYFJFKBDGVQYHD-LPHOPBHVSA-N 2 1 286.463 3.962 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@H]1C ZINC000379628383 330144598 /nfs/dbraw/zinc/14/45/98/330144598.db2.gz IUGFNNPOCNIOMX-AKKLJKOSSA-N 2 1 286.463 3.674 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@H]1C ZINC000379628383 330144600 /nfs/dbraw/zinc/14/46/00/330144600.db2.gz IUGFNNPOCNIOMX-AKKLJKOSSA-N 2 1 286.463 3.674 20 0 CHADMP CC(C)[C@@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379652707 330145863 /nfs/dbraw/zinc/14/58/63/330145863.db2.gz XTVMYYGAGQSYDF-JKSUJKDBSA-N 2 1 262.441 3.531 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)C1CCCC1 ZINC000422726611 330152512 /nfs/dbraw/zinc/15/25/12/330152512.db2.gz FNESRFXBIUVEEB-BMGDILEWSA-N 2 1 272.436 3.648 20 0 CHADMP c1ccc(CCC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000422730309 330152615 /nfs/dbraw/zinc/15/26/15/330152615.db2.gz JNYUFYQISXPUQP-VQTJNVASSA-N 2 1 294.442 3.702 20 0 CHADMP CC(C)CC[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422733887 330152634 /nfs/dbraw/zinc/15/26/34/330152634.db2.gz RWMAGQFZZDDWQZ-JQHSSLGASA-N 2 1 274.452 3.894 20 0 CHADMP CC(C)c1ccc(CCC[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000422756205 330153565 /nfs/dbraw/zinc/15/35/65/330153565.db2.gz HJFCYYGLMZQFRN-OAHLLOKOSA-N 2 1 297.446 3.901 20 0 CHADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000422763954 330154078 /nfs/dbraw/zinc/15/40/78/330154078.db2.gz PDDBSMNDUCUHGR-MOPGFXCFSA-N 2 1 280.415 3.578 20 0 CHADMP Cc1cc(C)c(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c(C)c1 ZINC000422784028 330154787 /nfs/dbraw/zinc/15/47/87/330154787.db2.gz PCNWCMGTTPFURV-MOPGFXCFSA-N 2 1 280.415 3.846 20 0 CHADMP CC1(C)CCC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422841537 330157163 /nfs/dbraw/zinc/15/71/63/330157163.db2.gz WINWWXOVOKRJNC-ZACQAIPSSA-N 2 1 272.436 3.648 20 0 CHADMP C[C@@H]([NH2+][C@@H](c1ccccc1)C(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000422839294 330157227 /nfs/dbraw/zinc/15/72/27/330157227.db2.gz ZSKXXPUGSFPLRQ-BMFZPTHFSA-N 2 1 260.425 3.504 20 0 CHADMP C[C@@H]([NH2+]CCCC1CCCCC1)c1c[nH+]ccc1N ZINC000422853974 330157366 /nfs/dbraw/zinc/15/73/66/330157366.db2.gz ZSCXVOWXCAJEJD-CYBMUJFWSA-N 2 1 261.413 3.505 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)C(C)(C)C ZINC000422854544 330157863 /nfs/dbraw/zinc/15/78/63/330157863.db2.gz BAIFXRWEYZBINX-ULQDDVLXSA-N 2 1 274.452 3.894 20 0 CHADMP CSc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422880337 330158908 /nfs/dbraw/zinc/15/89/08/330158908.db2.gz NZIYMQGBYVDXRT-IRXDYDNUSA-N 2 1 284.428 3.643 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)C(C)C ZINC000422946739 330161884 /nfs/dbraw/zinc/16/18/84/330161884.db2.gz PDGPAJOAMLDGRW-IXDOHACOSA-N 2 1 260.425 3.504 20 0 CHADMP CC(C)C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cccs1 ZINC000422947063 330162104 /nfs/dbraw/zinc/16/21/04/330162104.db2.gz PSBVVYYDNLPWMS-IHRRRGAJSA-N 2 1 266.454 3.565 20 0 CHADMP FC1(F)CCC[C@H]([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000422995880 330163437 /nfs/dbraw/zinc/16/34/37/330163437.db2.gz ZRMSKZCPPMXVQW-HRCADAONSA-N 2 1 294.389 3.647 20 0 CHADMP FC1(F)CCC[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422995883 330163576 /nfs/dbraw/zinc/16/35/76/330163576.db2.gz ZRMSKZCPPMXVQW-PMPSAXMXSA-N 2 1 294.389 3.647 20 0 CHADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)c2ccccc21 ZINC000423089020 330169201 /nfs/dbraw/zinc/16/92/01/330169201.db2.gz UGRTWOWLEYSMKX-QRVBRYPASA-N 2 1 296.389 3.938 20 0 CHADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000423100237 330170133 /nfs/dbraw/zinc/17/01/33/330170133.db2.gz UULZJGONPYYZOP-MXSMSXNCSA-N 2 1 272.436 3.506 20 0 CHADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000423100234 330170273 /nfs/dbraw/zinc/17/02/73/330170273.db2.gz UULZJGONPYYZOP-ATLSCFEFSA-N 2 1 272.436 3.506 20 0 CHADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)C1CCCCCC1 ZINC000423189976 330175601 /nfs/dbraw/zinc/17/56/01/330175601.db2.gz QLJJNPOCNUSHMD-MRXNPFEDSA-N 2 1 289.467 3.510 20 0 CHADMP CC[C@H]([NH2+]CCC[NH2+]C)c1ccc(Cl)cc1Cl ZINC000423198467 330176563 /nfs/dbraw/zinc/17/65/63/330176563.db2.gz GBFYOGOUEUKRKM-ZDUSSCGKSA-N 2 1 275.223 3.644 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2)o1)[C@@H]1CCC[NH2+]C1 ZINC000423209862 330177643 /nfs/dbraw/zinc/17/76/43/330177643.db2.gz FNDSWSSBPWTKEX-HLLBOEOZSA-N 2 1 298.430 3.985 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccc(Cl)c1F ZINC000423211316 330178003 /nfs/dbraw/zinc/17/80/03/330178003.db2.gz KWTLBVNREHFVSD-SMDDNHRTSA-N 2 1 284.806 3.519 20 0 CHADMP Clc1cc2c(c(Cl)c1)[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)CC2 ZINC000423213022 330178356 /nfs/dbraw/zinc/17/83/56/330178356.db2.gz MPSMYZZQWHULHB-HZMBPMFUSA-N 2 1 299.245 3.570 20 0 CHADMP CC[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)c1ccc(Cl)s1 ZINC000423259392 330183519 /nfs/dbraw/zinc/18/35/19/330183519.db2.gz DPTVENJXPXRWPN-WDEREUQCSA-N 2 1 274.861 3.816 20 0 CHADMP [NH3+]C[C@H]([NH2+][C@H]1CC[C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000423257744 330183560 /nfs/dbraw/zinc/18/35/60/330183560.db2.gz ADROUVYVOBUIGX-QYZOEREBSA-N 2 1 286.463 3.820 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000423266841 330184115 /nfs/dbraw/zinc/18/41/15/330184115.db2.gz SIXCPLKIRBVHIN-WOSRLPQWSA-N 2 1 282.859 3.795 20 0 CHADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000423271490 330184619 /nfs/dbraw/zinc/18/46/19/330184619.db2.gz XUHSIKISJLTCBN-ABXWRUBCSA-N 2 1 294.405 3.707 20 0 CHADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000423272095 330184656 /nfs/dbraw/zinc/18/46/56/330184656.db2.gz YJYOTRJQDJIRHR-GUYCJALGSA-N 2 1 285.435 3.508 20 0 CHADMP CCC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000423272023 330184785 /nfs/dbraw/zinc/18/47/85/330184785.db2.gz HURGVLXZMHBAPJ-HUUCEWRRSA-N 2 1 266.816 3.508 20 0 CHADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(-c2cccs2)cc1 ZINC000423275042 330185039 /nfs/dbraw/zinc/18/50/39/330185039.db2.gz LIWRQXDHAUSTCW-WBMJQRKESA-N 2 1 286.444 3.803 20 0 CHADMP [NH3+]C[C@H]([NH2+][C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000423276175 330185164 /nfs/dbraw/zinc/18/51/64/330185164.db2.gz MNLNTTWSITUJBA-OIISXLGYSA-N 2 1 292.854 3.693 20 0 CHADMP Cc1nc(-c2cc([C@@H](C)[NH2+]CC(C)(C)[NH3+])cs2)cs1 ZINC000423281539 330185314 /nfs/dbraw/zinc/18/53/14/330185314.db2.gz BNIPIRFMFBFOKC-SECBINFHSA-N 2 1 295.477 3.568 20 0 CHADMP CC(C)Sc1ccc([C@H](C)[NH2+][C@H](CN)C2CC2)cc1 ZINC000423280151 330185554 /nfs/dbraw/zinc/18/55/54/330185554.db2.gz SHZOGQCCWJGJNV-BLLLJJGKSA-N 2 1 278.465 3.575 20 0 CHADMP CC(C)Sc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000423280151 330185555 /nfs/dbraw/zinc/18/55/55/330185555.db2.gz SHZOGQCCWJGJNV-BLLLJJGKSA-N 2 1 278.465 3.575 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423289265 330186462 /nfs/dbraw/zinc/18/64/62/330186462.db2.gz WQRBWESUFYVTRU-NSHDSACASA-N 2 1 288.357 3.874 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cc(C)sc1C ZINC000423297304 330188747 /nfs/dbraw/zinc/18/87/47/330188747.db2.gz JRNKBWIRJWWRDE-YPMHNXCESA-N 2 1 254.443 3.533 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCCCC12CCCC2 ZINC000423304454 330189256 /nfs/dbraw/zinc/18/92/56/330189256.db2.gz YWJJVDXUPFOXLP-GJZGRUSLSA-N 2 1 252.446 3.597 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000423312263 330189561 /nfs/dbraw/zinc/18/95/61/330189561.db2.gz DBCHQZOMPMEGQW-ZIAGYGMSSA-N 2 1 287.234 3.771 20 0 CHADMP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1Cl ZINC000423325105 330189733 /nfs/dbraw/zinc/18/97/33/330189733.db2.gz QBCFWPRGNQPSBJ-NHYWBVRUSA-N 2 1 296.842 3.515 20 0 CHADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccccc1C(C)(C)C ZINC000423323404 330190757 /nfs/dbraw/zinc/19/07/57/330190757.db2.gz JJHIRQAMMVICSC-CYBMUJFWSA-N 2 1 260.425 3.516 20 0 CHADMP CC[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc(Cl)c1F ZINC000423327206 330190815 /nfs/dbraw/zinc/19/08/15/330190815.db2.gz DCADLRLQNSYBBZ-GOEBONIOSA-N 2 1 298.833 3.910 20 0 CHADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(-c2c(F)cccc2F)cc1 ZINC000423341501 330192154 /nfs/dbraw/zinc/19/21/54/330192154.db2.gz XYCBSUIDRBGFBL-VXGBXAGGSA-N 2 1 290.357 3.630 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(-c2ccccc2)o1 ZINC000423356562 330193477 /nfs/dbraw/zinc/19/34/77/330193477.db2.gz GVAOWGPOWMDMMX-GDBMZVCRSA-N 2 1 284.403 3.739 20 0 CHADMP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423361134 330193600 /nfs/dbraw/zinc/19/36/00/330193600.db2.gz LYUVQAZVUWLURZ-DGCLKSJQSA-N 2 1 295.496 3.542 20 0 CHADMP CCSc1ccccc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000423367686 330194746 /nfs/dbraw/zinc/19/47/46/330194746.db2.gz DOMVSQJMOSCTNV-IHRRRGAJSA-N 2 1 278.465 3.590 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cc(Cl)ccc1Cl ZINC000423372552 330195400 /nfs/dbraw/zinc/19/54/00/330195400.db2.gz VYLYBZCZBSWWGZ-CMPLNLGQSA-N 2 1 287.234 3.786 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2F)C2CCCC2)CC[NH2+]1 ZINC000423373294 330195636 /nfs/dbraw/zinc/19/56/36/330195636.db2.gz JCOYNKNYANSZLN-QIIPPGSGSA-N 2 1 290.426 3.787 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc(Cl)ccc1OC ZINC000423398737 330195981 /nfs/dbraw/zinc/19/59/81/330195981.db2.gz VJKJQFIWEDLSMV-ZLDLUXBVSA-N 2 1 296.842 3.530 20 0 CHADMP C[C@@H](C[NH3+])[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000423404730 330196606 /nfs/dbraw/zinc/19/66/06/330196606.db2.gz SRZYDQJWZHTCGA-XHDPSFHLSA-N 2 1 266.816 3.508 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cc2cc(Cl)ccc2o1 ZINC000423377430 330198685 /nfs/dbraw/zinc/19/86/85/330198685.db2.gz YSVJZFYFBWCBMY-BXUZGUMPSA-N 2 1 292.810 3.879 20 0 CHADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423378080 330199090 /nfs/dbraw/zinc/19/90/90/330199090.db2.gz MDWBXPODQJRUHQ-MDZLAQPJSA-N 2 1 295.496 3.540 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1cccc(Cl)c1F ZINC000423390088 330200259 /nfs/dbraw/zinc/20/02/59/330200259.db2.gz VRJYYVOKYBYGLR-WDMOLILDSA-N 2 1 284.806 3.660 20 0 CHADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000423437090 330201426 /nfs/dbraw/zinc/20/14/26/330201426.db2.gz FWELDSOYEOEGOY-UINNMSKDSA-N 2 1 287.234 3.770 20 0 CHADMP CCC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423454140 330203412 /nfs/dbraw/zinc/20/34/12/330203412.db2.gz YQSKOLCZQHUZHW-MJVIPROJSA-N 2 1 254.805 3.507 20 0 CHADMP CC[C@H]([NH3+])C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000423455767 330203542 /nfs/dbraw/zinc/20/35/42/330203542.db2.gz CUDCFYSZYOROPA-LSDHHAIUSA-N 2 1 266.816 3.508 20 0 CHADMP CCC[C@@H]([NH2+]C[C@H]([NH3+])CC)c1ccc(Cl)cc1 ZINC000423486004 330206933 /nfs/dbraw/zinc/20/69/33/330206933.db2.gz ZJBMOBAWOMNXRT-ZIAGYGMSSA-N 2 1 254.805 3.508 20 0 CHADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cccc(Cl)c1 ZINC000423528119 330210223 /nfs/dbraw/zinc/21/02/23/330210223.db2.gz NBBNDKOWNXPUTR-ABAIWWIYSA-N 2 1 266.816 3.508 20 0 CHADMP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000423536619 330212690 /nfs/dbraw/zinc/21/26/90/330212690.db2.gz ZUAKRQRGXBYIGY-KDOFPFPSSA-N 2 1 290.451 3.642 20 0 CHADMP COc1ccccc1[C@H](C)NCCC[N@H+]1CCCC[C@H]1C ZINC000036122748 330249672 /nfs/dbraw/zinc/24/96/72/330249672.db2.gz KEUDPXLVXBQUNX-CVEARBPZSA-N 2 1 290.451 3.610 20 0 CHADMP COc1ccccc1[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000036122748 330249673 /nfs/dbraw/zinc/24/96/73/330249673.db2.gz KEUDPXLVXBQUNX-CVEARBPZSA-N 2 1 290.451 3.610 20 0 CHADMP COc1ccccc1[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000036122748 330249674 /nfs/dbraw/zinc/24/96/74/330249674.db2.gz KEUDPXLVXBQUNX-CVEARBPZSA-N 2 1 290.451 3.610 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000527683802 330271187 /nfs/dbraw/zinc/27/11/87/330271187.db2.gz VXGZVLVYKSGIEL-QGZVFWFLSA-N 2 1 299.462 3.626 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CC2CC=CC2)CC[N@@H+]1Cc1ccccc1 ZINC000527743141 330280019 /nfs/dbraw/zinc/28/00/19/330280019.db2.gz FUUCWPLPVXHPIT-LPHOPBHVSA-N 2 1 284.447 3.595 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CC2CC=CC2)CC[N@H+]1Cc1ccccc1 ZINC000527743141 330280021 /nfs/dbraw/zinc/28/00/21/330280021.db2.gz FUUCWPLPVXHPIT-LPHOPBHVSA-N 2 1 284.447 3.595 20 0 CHADMP Cc1cccc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C(C)C)c1 ZINC000527862053 330285321 /nfs/dbraw/zinc/28/53/21/330285321.db2.gz FROABDXSUNNWAP-CGTJXYLNSA-N 2 1 274.452 3.764 20 0 CHADMP Cc1cccc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)C)c1 ZINC000527862053 330285322 /nfs/dbraw/zinc/28/53/22/330285322.db2.gz FROABDXSUNNWAP-CGTJXYLNSA-N 2 1 274.452 3.764 20 0 CHADMP CC(C)c1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000527864596 330285475 /nfs/dbraw/zinc/28/54/75/330285475.db2.gz JLSOBHCONSWPNG-VKJFTORMSA-N 2 1 274.452 3.943 20 0 CHADMP CC(C)c1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000527864596 330285476 /nfs/dbraw/zinc/28/54/76/330285476.db2.gz JLSOBHCONSWPNG-VKJFTORMSA-N 2 1 274.452 3.943 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cc(C)ccc1C ZINC000527864847 330285562 /nfs/dbraw/zinc/28/55/62/330285562.db2.gz KRELRPRXECQGKG-RYRKJORJSA-N 2 1 274.452 3.827 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(C)ccc1C ZINC000527864847 330285563 /nfs/dbraw/zinc/28/55/63/330285563.db2.gz KRELRPRXECQGKG-RYRKJORJSA-N 2 1 274.452 3.827 20 0 CHADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(C)ccc1C ZINC000527849582 330288175 /nfs/dbraw/zinc/28/81/75/330288175.db2.gz VDKRWIVCQIRPQZ-IBGZPJMESA-N 2 1 286.463 3.971 20 0 CHADMP CCCCC1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000536876096 330311484 /nfs/dbraw/zinc/31/14/84/330311484.db2.gz JUDQSKWWJFLVMI-ZGRYLRDCSA-N 2 1 266.473 3.808 20 0 CHADMP CCCCC1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000536876096 330311485 /nfs/dbraw/zinc/31/14/85/330311485.db2.gz JUDQSKWWJFLVMI-ZGRYLRDCSA-N 2 1 266.473 3.808 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000044534523 330330088 /nfs/dbraw/zinc/33/00/88/330330088.db2.gz GLGNASSGKSZMHC-BBRMVZONSA-N 2 1 280.843 3.723 20 0 CHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000424341899 330344189 /nfs/dbraw/zinc/34/41/89/330344189.db2.gz FBDGMUJKNAVKRJ-ZECKMGORSA-N 2 1 298.474 3.818 20 0 CHADMP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000445438170 330347858 /nfs/dbraw/zinc/34/78/58/330347858.db2.gz FCSCDFJSSWCHEI-CDHQVMDDSA-N 2 1 298.474 3.652 20 0 CHADMP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000445438170 330347859 /nfs/dbraw/zinc/34/78/59/330347859.db2.gz FCSCDFJSSWCHEI-CDHQVMDDSA-N 2 1 298.474 3.652 20 0 CHADMP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000445438170 330347860 /nfs/dbraw/zinc/34/78/60/330347860.db2.gz FCSCDFJSSWCHEI-CDHQVMDDSA-N 2 1 298.474 3.652 20 0 CHADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(C3CC3)cc1)CC[NH2+]CC2 ZINC000424385709 330349492 /nfs/dbraw/zinc/34/94/92/330349492.db2.gz WKNBFLCLOOBGOG-OAHLLOKOSA-N 2 1 284.447 3.528 20 0 CHADMP CC[C@@H]1CCC[NH+]1CCCCC[N@@H+]1CCC[C@H]1CC ZINC000533287202 330355964 /nfs/dbraw/zinc/35/59/64/330355964.db2.gz WRECPVZQMHTEBA-IAGOWNOFSA-N 2 1 266.473 3.906 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)c(F)c1 ZINC000212707056 330367033 /nfs/dbraw/zinc/36/70/33/330367033.db2.gz VSHSALITIJWGSH-NWDGAFQWSA-N 2 1 296.817 3.614 20 0 CHADMP C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)c(F)c1)C[NH+]1CCCC1 ZINC000212722031 330367060 /nfs/dbraw/zinc/36/70/60/330367060.db2.gz BGWVULSRBWCKCV-OLZOCXBDSA-N 2 1 298.833 3.862 20 0 CHADMP Cc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000086279407 330369168 /nfs/dbraw/zinc/36/91/68/330369168.db2.gz SRVDICYGWMMSHB-AWEZNQCLSA-N 2 1 295.386 3.933 20 0 CHADMP C[C@@H](CCC1CCCCC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119669669 330378321 /nfs/dbraw/zinc/37/83/21/330378321.db2.gz TYKAMUYULWRCDH-HNNXBMFYSA-N 2 1 278.484 3.952 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H](C)C1CCCCC1 ZINC000119684974 330378754 /nfs/dbraw/zinc/37/87/54/330378754.db2.gz RPNCOGOGUZFEAB-LSDHHAIUSA-N 2 1 278.484 3.808 20 0 CHADMP C[C@@H]([C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000119685236 330378756 /nfs/dbraw/zinc/37/87/56/330378756.db2.gz RPNCOGOGUZFEAB-GJZGRUSLSA-N 2 1 278.484 3.808 20 0 CHADMP Cc1ncc([C@@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)s1 ZINC000090418794 330392496 /nfs/dbraw/zinc/39/24/96/330392496.db2.gz MOOQJDWPYAPWFY-GFCCVEGCSA-N 2 1 293.480 3.509 20 0 CHADMP Cc1ccccc1[C@@H](C)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000121433542 330401251 /nfs/dbraw/zinc/40/12/51/330401251.db2.gz QGLFRXHABJQHRK-MRXNPFEDSA-N 2 1 272.436 3.616 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CCc1cccc(C)c1 ZINC000121466572 330401701 /nfs/dbraw/zinc/40/17/01/330401701.db2.gz RNBMHUCGJXTHHY-IRXDYDNUSA-N 2 1 299.462 3.747 20 0 CHADMP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000425938335 330498679 /nfs/dbraw/zinc/49/86/79/330498679.db2.gz PPJXSCOQOXVUME-OLZOCXBDSA-N 2 1 298.858 3.587 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)c(C)o1 ZINC000447592117 330872318 /nfs/dbraw/zinc/87/23/18/330872318.db2.gz GVRQDKMNGZGYCD-CQSZACIVSA-N 2 1 278.440 3.669 20 0 CHADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CCCC(C)(C)C2)s1 ZINC000449746440 330947804 /nfs/dbraw/zinc/94/78/04/330947804.db2.gz GEODCXMEDHYGER-CYBMUJFWSA-N 2 1 295.496 3.511 20 0 CHADMP CC(C)[C@H](C[NH2+][C@@H](C)CCCC(F)(F)F)[NH+]1CCCC1 ZINC000163238968 331007260 /nfs/dbraw/zinc/00/72/60/331007260.db2.gz LZFVTHGWEFURTI-KBPBESRZSA-N 2 1 294.405 3.818 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@H](C)c2ccsc21 ZINC000453055298 331084988 /nfs/dbraw/zinc/08/49/88/331084988.db2.gz CKYVYZNQLIQYES-SWLSCSKDSA-N 2 1 289.448 3.871 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c2sccc21 ZINC000453126650 331091970 /nfs/dbraw/zinc/09/19/70/331091970.db2.gz YAFDOVILZGXAKL-BHPKHCPMSA-N 2 1 278.465 3.759 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c2sccc21 ZINC000453126650 331091971 /nfs/dbraw/zinc/09/19/71/331091971.db2.gz YAFDOVILZGXAKL-BHPKHCPMSA-N 2 1 278.465 3.759 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H](C3CC3)C3CCC3)C2)cc1 ZINC000453220964 331103081 /nfs/dbraw/zinc/10/30/81/331103081.db2.gz PMWGHBNESVHUNA-XLIONFOSSA-N 2 1 298.474 3.677 20 0 CHADMP CC/C=C/C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453317463 331115696 /nfs/dbraw/zinc/11/56/96/331115696.db2.gz KSWKDQZITLHNKO-AHAITQMDSA-N 2 1 284.447 3.738 20 0 CHADMP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccsc1 ZINC000453342848 331119475 /nfs/dbraw/zinc/11/94/75/331119475.db2.gz HZLLCFPSLPWJLI-UYTSQGDYSA-N 2 1 278.465 3.804 20 0 CHADMP Cc1cccc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000453387831 331126918 /nfs/dbraw/zinc/12/69/18/331126918.db2.gz BHRUODLRFISSJG-OAHLLOKOSA-N 2 1 260.425 3.520 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)s1 ZINC000453399263 331128458 /nfs/dbraw/zinc/12/84/58/331128458.db2.gz LFLFBTTYIPCNCN-ZDUSSCGKSA-N 2 1 266.454 3.582 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@H]1CCCc2sccc21)C1CC1 ZINC000453416359 331130331 /nfs/dbraw/zinc/13/03/31/331130331.db2.gz XISKVZVWNIEIRV-HNNXBMFYSA-N 2 1 278.465 3.590 20 0 CHADMP CCOc1ccc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000453420643 331130716 /nfs/dbraw/zinc/13/07/16/331130716.db2.gz ZSBYSWXFCNPQQW-OAHLLOKOSA-N 2 1 290.451 3.610 20 0 CHADMP CC(C)c1ccc(CC[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000453592398 331135241 /nfs/dbraw/zinc/13/52/41/331135241.db2.gz DYLKBYLSJYRZRY-UHFFFAOYSA-N 2 1 288.479 3.817 20 0 CHADMP C[C@H](C[NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(Cl)c1 ZINC000453601122 331135824 /nfs/dbraw/zinc/13/58/24/331135824.db2.gz UUBPJMVKNDFDAI-CQSZACIVSA-N 2 1 294.870 3.908 20 0 CHADMP Cc1ccccc1[C@@H]([NH2+]CCc1c[nH+]cn1C)C(C)(C)C ZINC000459384898 331279437 /nfs/dbraw/zinc/27/94/37/331279437.db2.gz IQMUERHWXDOEIP-QGZVFWFLSA-N 2 1 285.435 3.648 20 0 CHADMP CC(C)(C[NH2+]C1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000459430501 331280995 /nfs/dbraw/zinc/28/09/95/331280995.db2.gz DLGUWPQBNLGPPK-UHFFFAOYSA-N 2 1 278.484 3.809 20 0 CHADMP CC(C)CCC[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459729688 331296452 /nfs/dbraw/zinc/29/64/52/331296452.db2.gz DIPPLCJSGMEIDL-HOTGVXAUSA-N 2 1 254.462 3.523 20 0 CHADMP CC[C@H](C[C@@H](C)CC)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459798357 331301521 /nfs/dbraw/zinc/30/15/21/331301521.db2.gz XLMZDRVYHQMSJS-ARFHVFGLSA-N 2 1 254.462 3.523 20 0 CHADMP CC(C)[C@@H](C[NH2+][C@H]1CC[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000462679885 331325110 /nfs/dbraw/zinc/32/51/10/331325110.db2.gz IMPPKTPKPXQSHR-IXDOHACOSA-N 2 1 266.473 3.521 20 0 CHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H](C)C2)C1 ZINC000462745178 331327107 /nfs/dbraw/zinc/32/71/07/331327107.db2.gz OFAYWIUQRPEUKY-BZUAXINKSA-N 2 1 266.473 3.665 20 0 CHADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H](C)C2)C1 ZINC000462745178 331327108 /nfs/dbraw/zinc/32/71/08/331327108.db2.gz OFAYWIUQRPEUKY-BZUAXINKSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C3CCCC3)cc2)CC[N@H+]1C ZINC000462780438 331328750 /nfs/dbraw/zinc/32/87/50/331328750.db2.gz WJYPSCOHQAUVGD-KXBFYZLASA-N 2 1 286.463 3.917 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C3CCCC3)cc2)C1 ZINC000462799864 331329596 /nfs/dbraw/zinc/32/95/96/331329596.db2.gz YTPUTBLTDVNIIE-KRWDZBQOSA-N 2 1 286.463 3.776 20 0 CHADMP CC[NH+](CC)CCC[N@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463434937 331347696 /nfs/dbraw/zinc/34/76/96/331347696.db2.gz IRVNBWVYSOAUKD-KGLIPLIRSA-N 2 1 294.405 3.771 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463434937 331347697 /nfs/dbraw/zinc/34/76/97/331347697.db2.gz IRVNBWVYSOAUKD-KGLIPLIRSA-N 2 1 294.405 3.771 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000463538154 331349274 /nfs/dbraw/zinc/34/92/74/331349274.db2.gz AAWJMBDVOPZSIN-ROUUACIJSA-N 2 1 288.479 3.889 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CC[N@@H+]1C ZINC000464060324 331355765 /nfs/dbraw/zinc/35/57/65/331355765.db2.gz UTKHCMJKJJRZRN-DDBAPUKQSA-N 2 1 286.463 3.641 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CC[N@H+]1C ZINC000464060324 331355766 /nfs/dbraw/zinc/35/57/66/331355766.db2.gz UTKHCMJKJJRZRN-DDBAPUKQSA-N 2 1 286.463 3.641 20 0 CHADMP CC1(C)CC[NH+](CCCCC[N@@H+]2CCC(C)(C)C2)C1 ZINC000464800563 331368038 /nfs/dbraw/zinc/36/80/38/331368038.db2.gz XAYJASYIVGQBSJ-UHFFFAOYSA-N 2 1 266.473 3.621 20 0 CHADMP C[C@@H]1CCC[C@H](CC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000464888498 331372724 /nfs/dbraw/zinc/37/27/24/331372724.db2.gz FBFLSVFPCBQXHV-VQHPVUNQSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@@H]1CCC[C@H](CC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000464888498 331372725 /nfs/dbraw/zinc/37/27/25/331372725.db2.gz FBFLSVFPCBQXHV-VQHPVUNQSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@@H]1CCC[C@H](CC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000464888498 331372726 /nfs/dbraw/zinc/37/27/26/331372726.db2.gz FBFLSVFPCBQXHV-VQHPVUNQSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@@H]1CCC[C@H](CC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000464888498 331372727 /nfs/dbraw/zinc/37/27/27/331372727.db2.gz FBFLSVFPCBQXHV-VQHPVUNQSA-N 2 1 266.473 3.617 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000474814456 331600612 /nfs/dbraw/zinc/60/06/12/331600612.db2.gz GZPJXSMEFBIABO-IAGOWNOFSA-N 2 1 277.456 3.776 20 0 CHADMP C[NH+]1CCC([NH2+][C@H]2CCCC[C@@H](c3ccccc3)C2)CC1 ZINC000498364323 331629271 /nfs/dbraw/zinc/62/92/71/331629271.db2.gz OYOQUXGBPVCDLY-MJGOQNOKSA-N 2 1 286.463 3.787 20 0 CHADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1ccsc1 ZINC000479588098 331739306 /nfs/dbraw/zinc/73/93/06/331739306.db2.gz GJDNXBGOPWYCIJ-UHFFFAOYSA-N 2 1 280.481 3.882 20 0 CHADMP C[C@H]1C[C@@H]1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000488444480 332009353 /nfs/dbraw/zinc/00/93/53/332009353.db2.gz HXISQZIPNFXFNF-MAUKXSAKSA-N 2 1 298.430 3.657 20 0 CHADMP CC(C)[C@H](C[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1)[NH+]1CCCC1 ZINC000488452790 332010695 /nfs/dbraw/zinc/01/06/95/332010695.db2.gz BNSPHCUOAFZCAX-HRCADAONSA-N 2 1 298.540 3.617 20 0 CHADMP C[N@@H+](CCCc1cccc(F)c1)CC[C@@H]1CCCC[NH+]1C ZINC000490105330 332081555 /nfs/dbraw/zinc/08/15/55/332081555.db2.gz XWUXZWDKUBCPBE-SFHVURJKSA-N 2 1 292.442 3.565 20 0 CHADMP C[NH+](CCCc1cccc(F)c1)CC[C@@H]1CCCC[N@@H+]1C ZINC000490105330 332081556 /nfs/dbraw/zinc/08/15/56/332081556.db2.gz XWUXZWDKUBCPBE-SFHVURJKSA-N 2 1 292.442 3.565 20 0 CHADMP C[NH+](CCCc1cccc(F)c1)CC[C@@H]1CCCC[N@H+]1C ZINC000490105330 332081557 /nfs/dbraw/zinc/08/15/57/332081557.db2.gz XWUXZWDKUBCPBE-SFHVURJKSA-N 2 1 292.442 3.565 20 0 CHADMP CCCC[C@H](CCC)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512067186 332952659 /nfs/dbraw/zinc/95/26/59/332952659.db2.gz JRTJZXHSXWNTRB-ZDUSSCGKSA-N 2 1 283.485 3.653 20 0 CHADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000575737803 335110305 /nfs/dbraw/zinc/11/03/05/335110305.db2.gz MYEYUSJNWYYAPY-FPQZTECRSA-N 2 1 298.883 3.707 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000575737803 335110307 /nfs/dbraw/zinc/11/03/07/335110307.db2.gz MYEYUSJNWYYAPY-FPQZTECRSA-N 2 1 298.883 3.707 20 0 CHADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000575737805 335110436 /nfs/dbraw/zinc/11/04/36/335110436.db2.gz MYEYUSJNWYYAPY-WFFHOREQSA-N 2 1 298.883 3.707 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000575737805 335110437 /nfs/dbraw/zinc/11/04/37/335110437.db2.gz MYEYUSJNWYYAPY-WFFHOREQSA-N 2 1 298.883 3.707 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2C[C@H](C)[C@@H]2C)CC1 ZINC000494924921 332491729 /nfs/dbraw/zinc/49/17/29/332491729.db2.gz VWZYXXKEGSVFMW-TXPKVOOTSA-N 2 1 286.463 3.594 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000165632450 334900989 /nfs/dbraw/zinc/90/09/89/334900989.db2.gz BGECIDLXRMMERZ-HUUCEWRRSA-N 2 1 277.456 3.776 20 0 CHADMP C[NH+](CCCCC[N@H+](C)C1CCCC1)C1CCCC1 ZINC000172648400 335114783 /nfs/dbraw/zinc/11/47/83/335114783.db2.gz RCWSRWXSXAWFAG-UHFFFAOYSA-N 2 1 266.473 3.906 20 0 CHADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000513702675 333033821 /nfs/dbraw/zinc/03/38/21/333033821.db2.gz LPOAWJBJJRUBPJ-OWYHZJEWSA-N 2 1 286.463 3.643 20 0 CHADMP CCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309802705 333049857 /nfs/dbraw/zinc/04/98/57/333049857.db2.gz SLIQDLAXEXXPEK-XYJFISCASA-N 2 1 274.452 3.675 20 0 CHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+]([C@H]4C=CCCC4)C[C@H]3C2)cc1 ZINC000309974940 333051933 /nfs/dbraw/zinc/05/19/33/333051933.db2.gz QHOAHJGMKNZEQS-AQNXPRMDSA-N 2 1 296.458 3.549 20 0 CHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+]([C@H]4C=CCCC4)C[C@H]3C2)cc1 ZINC000309974940 333051934 /nfs/dbraw/zinc/05/19/34/333051934.db2.gz QHOAHJGMKNZEQS-AQNXPRMDSA-N 2 1 296.458 3.549 20 0 CHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+]([C@H]4C=CCCC4)C[C@H]3C2)cc1 ZINC000309974940 333051935 /nfs/dbraw/zinc/05/19/35/333051935.db2.gz QHOAHJGMKNZEQS-AQNXPRMDSA-N 2 1 296.458 3.549 20 0 CHADMP Cc1sccc1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000312065287 333075981 /nfs/dbraw/zinc/07/59/81/333075981.db2.gz KOGVZFFPQFGZDT-UHFFFAOYSA-N 2 1 280.481 3.801 20 0 CHADMP Cc1sccc1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000312065287 333075982 /nfs/dbraw/zinc/07/59/82/333075982.db2.gz KOGVZFFPQFGZDT-UHFFFAOYSA-N 2 1 280.481 3.801 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000178632905 333076056 /nfs/dbraw/zinc/07/60/56/333076056.db2.gz WLLVZUHAFHGNJN-CKEIUWERSA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000178632905 333076057 /nfs/dbraw/zinc/07/60/57/333076057.db2.gz WLLVZUHAFHGNJN-CKEIUWERSA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1ccccc1Cl)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000178632905 333076058 /nfs/dbraw/zinc/07/60/58/333076058.db2.gz WLLVZUHAFHGNJN-CKEIUWERSA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1ccccc1Cl)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000178632905 333076059 /nfs/dbraw/zinc/07/60/59/333076059.db2.gz WLLVZUHAFHGNJN-CKEIUWERSA-N 2 1 292.854 3.817 20 0 CHADMP CC(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000178799094 333077886 /nfs/dbraw/zinc/07/78/86/333077886.db2.gz BFAKHXARESKHES-YQQQUEKLSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000088740991 333091957 /nfs/dbraw/zinc/09/19/57/333091957.db2.gz GORKDHFKKBGACY-RWQQGDIJSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000088740991 333091958 /nfs/dbraw/zinc/09/19/58/333091958.db2.gz GORKDHFKKBGACY-RWQQGDIJSA-N 2 1 286.463 3.818 20 0 CHADMP CCC[NH+](CCC)CCC[NH2+]Cc1ccc(F)cc1C ZINC000517551630 333102307 /nfs/dbraw/zinc/10/23/07/333102307.db2.gz SIROBWYADZQCBU-UHFFFAOYSA-N 2 1 280.431 3.736 20 0 CHADMP Cc1ccc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1F ZINC000520949630 333108181 /nfs/dbraw/zinc/10/81/81/333108181.db2.gz KDHICYUCIKJIAI-GASCZTMLSA-N 2 1 292.442 3.592 20 0 CHADMP Cc1ccc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1F ZINC000520949630 333108182 /nfs/dbraw/zinc/10/81/82/333108182.db2.gz KDHICYUCIKJIAI-GASCZTMLSA-N 2 1 292.442 3.592 20 0 CHADMP CC(C)C[C@@H](C)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000520958756 333108979 /nfs/dbraw/zinc/10/89/79/333108979.db2.gz GQPLGOOONHCKBF-MRXNPFEDSA-N 2 1 268.489 3.721 20 0 CHADMP CC1CC([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC000184366610 333127551 /nfs/dbraw/zinc/12/75/51/333127551.db2.gz IXTZTQQICSYURW-UHFFFAOYSA-N 2 1 298.430 3.800 20 0 CHADMP COc1ccsc1[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000186085851 333154883 /nfs/dbraw/zinc/15/48/83/333154883.db2.gz KVESGXJFVPADDZ-KGLIPLIRSA-N 2 1 296.480 3.672 20 0 CHADMP COc1ccsc1[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000186085851 333154884 /nfs/dbraw/zinc/15/48/84/333154884.db2.gz KVESGXJFVPADDZ-KGLIPLIRSA-N 2 1 296.480 3.672 20 0 CHADMP CC[C@H](C)[N@H+](C)CC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000186616612 333163719 /nfs/dbraw/zinc/16/37/19/333163719.db2.gz XGPHXIRPYZWTJI-HSBZDZAISA-N 2 1 294.405 3.675 20 0 CHADMP CC[C@H](C)[N@@H+](C)CC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000186616612 333163720 /nfs/dbraw/zinc/16/37/20/333163720.db2.gz XGPHXIRPYZWTJI-HSBZDZAISA-N 2 1 294.405 3.675 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCC12CCCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000189217537 333186261 /nfs/dbraw/zinc/18/62/61/333186261.db2.gz SOGJDBMKPTUXFA-XYJFISCASA-N 2 1 290.495 3.952 20 0 CHADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1csc(Cl)c1 ZINC000191328515 333218432 /nfs/dbraw/zinc/21/84/32/333218432.db2.gz SYSQBHRZUWPGBL-DRZSPHRISA-N 2 1 286.872 3.925 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCCNc1cc[nH+]c2ccccc12 ZINC000521935841 333224124 /nfs/dbraw/zinc/22/41/24/333224124.db2.gz HPCGHUFTLBFONJ-MRXNPFEDSA-N 2 1 297.446 3.723 20 0 CHADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(F)cc1F ZINC000522546474 333289609 /nfs/dbraw/zinc/28/96/09/333289609.db2.gz NQPPCBDILBSTRM-BLLLJJGKSA-N 2 1 298.421 3.982 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](CC(C)C)C2)CC1 ZINC000230770155 333321581 /nfs/dbraw/zinc/32/15/81/333321581.db2.gz YXTWKSQHRJCEJK-WBVHZDCISA-N 2 1 266.473 3.665 20 0 CHADMP C[NH+](C)CC[C@H]([NH2+]Cc1ccccc1Cl)C(C)(C)C ZINC000523863173 333348355 /nfs/dbraw/zinc/34/83/55/333348355.db2.gz KURJSFKDTKSSSE-HNNXBMFYSA-N 2 1 282.859 3.796 20 0 CHADMP Clc1ccc2c(NCC[N@H+]3CC=CCC3)cc[nH+]c2c1 ZINC000338714355 335137902 /nfs/dbraw/zinc/13/79/02/335137902.db2.gz YJJIUQQHCJCBAV-UHFFFAOYSA-N 2 1 287.794 3.562 20 0 CHADMP Clc1ccc2c(NCC[N@@H+]3CC=CCC3)cc[nH+]c2c1 ZINC000338714355 335137903 /nfs/dbraw/zinc/13/79/03/335137903.db2.gz YJJIUQQHCJCBAV-UHFFFAOYSA-N 2 1 287.794 3.562 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc2ccccc21 ZINC000530218324 333528664 /nfs/dbraw/zinc/52/86/64/333528664.db2.gz IQONKTJIOGQMPD-KSSFIOAISA-N 2 1 280.415 3.775 20 0 CHADMP CC(C)[C@H]([NH2+]CCc1c[nH+]cn1C)c1cc2ccccc2o1 ZINC000530407352 333546543 /nfs/dbraw/zinc/54/65/43/333546543.db2.gz CBJLNYSMWMOXRF-SFHVURJKSA-N 2 1 297.402 3.696 20 0 CHADMP CC[C@H](C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)[NH+]1CCCC1 ZINC000129261111 333754235 /nfs/dbraw/zinc/75/42/35/333754235.db2.gz OTCBBMPHBZOBQN-MELADBBJSA-N 2 1 292.389 3.572 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000174773668 335166066 /nfs/dbraw/zinc/16/60/66/335166066.db2.gz BZNGTGBXMOHXEX-CZUORRHYSA-N 2 1 280.843 3.502 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000174773668 335166067 /nfs/dbraw/zinc/16/60/67/335166067.db2.gz BZNGTGBXMOHXEX-CZUORRHYSA-N 2 1 280.843 3.502 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000174773668 335166069 /nfs/dbraw/zinc/16/60/69/335166069.db2.gz BZNGTGBXMOHXEX-CZUORRHYSA-N 2 1 280.843 3.502 20 0 CHADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccccc3)o2)C1 ZINC000237051514 334080246 /nfs/dbraw/zinc/08/02/46/334080246.db2.gz CCDNVFVOMLNFAD-IRXDYDNUSA-N 2 1 298.430 3.909 20 0 CHADMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000564323165 334095438 /nfs/dbraw/zinc/09/54/38/334095438.db2.gz DLLLZIJYADUHBB-KXBFYZLASA-N 2 1 282.431 3.612 20 0 CHADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2ccccc2c1 ZINC000564323165 334095439 /nfs/dbraw/zinc/09/54/39/334095439.db2.gz DLLLZIJYADUHBB-KXBFYZLASA-N 2 1 282.431 3.612 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2ccccc2c1 ZINC000564323165 334095441 /nfs/dbraw/zinc/09/54/41/334095441.db2.gz DLLLZIJYADUHBB-KXBFYZLASA-N 2 1 282.431 3.612 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc2ccccc2c1 ZINC000564323165 334095443 /nfs/dbraw/zinc/09/54/43/334095443.db2.gz DLLLZIJYADUHBB-KXBFYZLASA-N 2 1 282.431 3.612 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000564323165 334095444 /nfs/dbraw/zinc/09/54/44/334095444.db2.gz DLLLZIJYADUHBB-KXBFYZLASA-N 2 1 282.431 3.612 20 0 CHADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C(C)(C)C)s1 ZINC000564324191 334100127 /nfs/dbraw/zinc/10/01/27/334100127.db2.gz FZHZGELWIQFXLH-ZFWWWQNUSA-N 2 1 294.508 3.818 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C(C)(C)C)s1 ZINC000564324191 334100129 /nfs/dbraw/zinc/10/01/29/334100129.db2.gz FZHZGELWIQFXLH-ZFWWWQNUSA-N 2 1 294.508 3.818 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(C(C)(C)C)s1 ZINC000564324191 334100131 /nfs/dbraw/zinc/10/01/31/334100131.db2.gz FZHZGELWIQFXLH-ZFWWWQNUSA-N 2 1 294.508 3.818 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(C(C)(C)C)s1 ZINC000564324191 334100132 /nfs/dbraw/zinc/10/01/32/334100132.db2.gz FZHZGELWIQFXLH-ZFWWWQNUSA-N 2 1 294.508 3.818 20 0 CHADMP C[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000134865652 334106356 /nfs/dbraw/zinc/10/63/56/334106356.db2.gz XTZWKGISYXFYJC-YVWKXTFCSA-N 2 1 298.474 3.739 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@H+](C)CCCn1cc[nH+]c1C ZINC000136290039 334151314 /nfs/dbraw/zinc/15/13/14/334151314.db2.gz MYDWWLBSGFFNCU-QGZVFWFLSA-N 2 1 289.398 3.804 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000136290039 334151316 /nfs/dbraw/zinc/15/13/16/334151316.db2.gz MYDWWLBSGFFNCU-QGZVFWFLSA-N 2 1 289.398 3.804 20 0 CHADMP CC(C)[C@@H](C[NH2+]C1CCC(C)(C)CC1)[NH+]1CCCC1 ZINC000079620933 334158546 /nfs/dbraw/zinc/15/85/46/334158546.db2.gz LDYTYONBUIHVHV-MRXNPFEDSA-N 2 1 266.473 3.665 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccccc2Cl)[C@@H](C)C1 ZINC000245420255 334191853 /nfs/dbraw/zinc/19/18/53/334191853.db2.gz HJPLCBBLVXQASX-WMLDXEAASA-N 2 1 294.870 3.545 20 0 CHADMP C[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C1CCCCC1 ZINC000549471887 334194908 /nfs/dbraw/zinc/19/49/08/334194908.db2.gz PJWIWNRNQWTHEO-KBAYOESNSA-N 2 1 278.484 3.619 20 0 CHADMP C[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C1CCCCC1 ZINC000549471887 334194909 /nfs/dbraw/zinc/19/49/09/334194909.db2.gz PJWIWNRNQWTHEO-KBAYOESNSA-N 2 1 278.484 3.619 20 0 CHADMP C[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C1CCCCC1 ZINC000549471887 334194910 /nfs/dbraw/zinc/19/49/10/334194910.db2.gz PJWIWNRNQWTHEO-KBAYOESNSA-N 2 1 278.484 3.619 20 0 CHADMP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245732519 334215916 /nfs/dbraw/zinc/21/59/16/334215916.db2.gz WGEAPACDOQDUOH-OLMNPRSZSA-N 2 1 290.426 3.693 20 0 CHADMP C[C@@H]1C[C@@H](c2cccc(F)c2)[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000245732519 334215917 /nfs/dbraw/zinc/21/59/17/334215917.db2.gz WGEAPACDOQDUOH-OLMNPRSZSA-N 2 1 290.426 3.693 20 0 CHADMP C[C@@H]1C[C@@H](c2cccc(F)c2)[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000245732519 334215918 /nfs/dbraw/zinc/21/59/18/334215918.db2.gz WGEAPACDOQDUOH-OLMNPRSZSA-N 2 1 290.426 3.693 20 0 CHADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(F)c(Cl)c2)[C@@H](C)C1 ZINC000245761853 334218205 /nfs/dbraw/zinc/21/82/05/334218205.db2.gz PWKCEOWHDLVCEE-BLLLJJGKSA-N 2 1 298.833 3.641 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)c(Cl)c2)[C@@H](C)C1 ZINC000245761853 334218210 /nfs/dbraw/zinc/21/82/10/334218210.db2.gz PWKCEOWHDLVCEE-BLLLJJGKSA-N 2 1 298.833 3.641 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(Cl)c2)[C@@H](C)C1 ZINC000245761853 334218212 /nfs/dbraw/zinc/21/82/12/334218212.db2.gz PWKCEOWHDLVCEE-BLLLJJGKSA-N 2 1 298.833 3.641 20 0 CHADMP CCCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245778599 334219161 /nfs/dbraw/zinc/21/91/61/334219161.db2.gz YPADHFXOSZESHC-REPLKXPHSA-N 2 1 286.463 3.962 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]CCC(C)(C)C)C[C@H]1c1ccccc1 ZINC000551007958 334236210 /nfs/dbraw/zinc/23/62/10/334236210.db2.gz QXVUAMPQWLZSTP-SJORKVTESA-N 2 1 274.452 3.848 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)C)C[C@H]1c1ccccc1 ZINC000551007958 334236211 /nfs/dbraw/zinc/23/62/11/334236211.db2.gz QXVUAMPQWLZSTP-SJORKVTESA-N 2 1 274.452 3.848 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2c3ccccc3C[C@H]2C)C1 ZINC000247059350 334274708 /nfs/dbraw/zinc/27/47/08/334274708.db2.gz PMMKVJYJQKVAGS-GPMSIDNRSA-N 2 1 286.463 3.630 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]CC2CC(C)(C)C2)C[C@@H]1c1ccccc1 ZINC000551176372 334239968 /nfs/dbraw/zinc/23/99/68/334239968.db2.gz SYYSYQVCKKZILW-ZWKOTPCHSA-N 2 1 286.463 3.848 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC2CC(C)(C)C2)C[C@@H]1c1ccccc1 ZINC000551176372 334239969 /nfs/dbraw/zinc/23/99/69/334239969.db2.gz SYYSYQVCKKZILW-ZWKOTPCHSA-N 2 1 286.463 3.848 20 0 CHADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000551175550 334239990 /nfs/dbraw/zinc/23/99/90/334239990.db2.gz MNAMWXPFVMJBEG-NEPXVJNWSA-N 2 1 286.463 3.848 20 0 CHADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000551175550 334239991 /nfs/dbraw/zinc/23/99/91/334239991.db2.gz MNAMWXPFVMJBEG-NEPXVJNWSA-N 2 1 286.463 3.848 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(Cl)s2)C1 ZINC000247073368 334275259 /nfs/dbraw/zinc/27/52/59/334275259.db2.gz OJPXWSFBPUAYCC-VXGBXAGGSA-N 2 1 286.872 3.784 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCC(C)(C)C)C1 ZINC000551532667 334253031 /nfs/dbraw/zinc/25/30/31/334253031.db2.gz DFJXPEYYBUANBB-GJZGRUSLSA-N 2 1 254.462 3.523 20 0 CHADMP C[C@H]1C[C@H]1c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)o1 ZINC000247125793 334276128 /nfs/dbraw/zinc/27/61/28/334276128.db2.gz YZZYLQJLSXZMSA-CALVTZMJSA-N 2 1 288.435 3.508 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(C(C)C)C(C)C)C1 ZINC000551806889 334262472 /nfs/dbraw/zinc/26/24/72/334262472.db2.gz YUQSYAMOAKUGAX-MRXNPFEDSA-N 2 1 268.489 3.578 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC(C(C)C)C(C)C)C1 ZINC000551806889 334262474 /nfs/dbraw/zinc/26/24/74/334262474.db2.gz YUQSYAMOAKUGAX-MRXNPFEDSA-N 2 1 268.489 3.578 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(C(C)C)C(C)C)C1 ZINC000551806889 334262476 /nfs/dbraw/zinc/26/24/76/334262476.db2.gz YUQSYAMOAKUGAX-MRXNPFEDSA-N 2 1 268.489 3.578 20 0 CHADMP C[C@H]1C[C@H]1c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)o1 ZINC000247125793 334276129 /nfs/dbraw/zinc/27/61/29/334276129.db2.gz YZZYLQJLSXZMSA-CALVTZMJSA-N 2 1 288.435 3.508 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C2CCCCC2)C1 ZINC000246878152 334271143 /nfs/dbraw/zinc/27/11/43/334271143.db2.gz CPGXIRYLKOORBA-CVEARBPZSA-N 2 1 266.473 3.665 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000552099644 334289762 /nfs/dbraw/zinc/28/97/62/334289762.db2.gz PRMWARMQLTXCTA-WNHJNPCNSA-N 2 1 286.463 3.643 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000552099644 334289763 /nfs/dbraw/zinc/28/97/63/334289763.db2.gz PRMWARMQLTXCTA-WNHJNPCNSA-N 2 1 286.463 3.643 20 0 CHADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247975888 334292727 /nfs/dbraw/zinc/29/27/27/334292727.db2.gz HUYHVOSHDQWKSS-KURKYZTESA-N 2 1 272.436 3.554 20 0 CHADMP CC[C@H](c1ccccc1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247975888 334292729 /nfs/dbraw/zinc/29/27/29/334292729.db2.gz HUYHVOSHDQWKSS-KURKYZTESA-N 2 1 272.436 3.554 20 0 CHADMP CC[C@H](c1ccccc1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247975888 334292731 /nfs/dbraw/zinc/29/27/31/334292731.db2.gz HUYHVOSHDQWKSS-KURKYZTESA-N 2 1 272.436 3.554 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(F)F)cc2)[C@@H](C)C1 ZINC000248389445 334299869 /nfs/dbraw/zinc/29/98/69/334299869.db2.gz GNACQUDJYCRUCS-BBRMVZONSA-N 2 1 296.405 3.786 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(F)F)cc2)[C@@H](C)C1 ZINC000248389445 334299870 /nfs/dbraw/zinc/29/98/70/334299870.db2.gz GNACQUDJYCRUCS-BBRMVZONSA-N 2 1 296.405 3.786 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(F)F)cc2)[C@@H](C)C1 ZINC000248389445 334299872 /nfs/dbraw/zinc/29/98/72/334299872.db2.gz GNACQUDJYCRUCS-BBRMVZONSA-N 2 1 296.405 3.786 20 0 CHADMP CCCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000552290851 334313859 /nfs/dbraw/zinc/31/38/59/334313859.db2.gz VFEFOFBALJRALA-QFBILLFUSA-N 2 1 288.479 3.801 20 0 CHADMP CCCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000552290851 334313860 /nfs/dbraw/zinc/31/38/60/334313860.db2.gz VFEFOFBALJRALA-QFBILLFUSA-N 2 1 288.479 3.801 20 0 CHADMP CCCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000552290851 334313861 /nfs/dbraw/zinc/31/38/61/334313861.db2.gz VFEFOFBALJRALA-QFBILLFUSA-N 2 1 288.479 3.801 20 0 CHADMP C[C@@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc2ccccc2o1 ZINC000249041769 334325538 /nfs/dbraw/zinc/32/55/38/334325538.db2.gz DILJQEMXINZUNJ-KBMXLJTQSA-N 2 1 284.403 3.710 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2ccccc2o1 ZINC000249041769 334325539 /nfs/dbraw/zinc/32/55/39/334325539.db2.gz DILJQEMXINZUNJ-KBMXLJTQSA-N 2 1 284.403 3.710 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc2ccccc2o1 ZINC000249041769 334325541 /nfs/dbraw/zinc/32/55/41/334325541.db2.gz DILJQEMXINZUNJ-KBMXLJTQSA-N 2 1 284.403 3.710 20 0 CHADMP C[C@@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc2ccccc2o1 ZINC000249041764 334325581 /nfs/dbraw/zinc/32/55/81/334325581.db2.gz DILJQEMXINZUNJ-BMFZPTHFSA-N 2 1 284.403 3.710 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2ccccc2o1 ZINC000249041764 334325582 /nfs/dbraw/zinc/32/55/82/334325582.db2.gz DILJQEMXINZUNJ-BMFZPTHFSA-N 2 1 284.403 3.710 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc2ccccc2o1 ZINC000249041764 334325583 /nfs/dbraw/zinc/32/55/83/334325583.db2.gz DILJQEMXINZUNJ-BMFZPTHFSA-N 2 1 284.403 3.710 20 0 CHADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000249090557 334327035 /nfs/dbraw/zinc/32/70/35/334327035.db2.gz KGDILMKGSHBBRQ-LZLYRXPVSA-N 2 1 274.452 3.533 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)o1 ZINC000090586184 334364189 /nfs/dbraw/zinc/36/41/89/334364189.db2.gz IKRXKNJNXGDWEH-CVEARBPZSA-N 2 1 292.467 3.861 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC000090586184 334364191 /nfs/dbraw/zinc/36/41/91/334364191.db2.gz IKRXKNJNXGDWEH-CVEARBPZSA-N 2 1 292.467 3.861 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)o1 ZINC000090586191 334364281 /nfs/dbraw/zinc/36/42/81/334364281.db2.gz IKRXKNJNXGDWEH-HZPDHXFCSA-N 2 1 292.467 3.861 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC000090586191 334364283 /nfs/dbraw/zinc/36/42/83/334364283.db2.gz IKRXKNJNXGDWEH-HZPDHXFCSA-N 2 1 292.467 3.861 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCc2ccccc21 ZINC000251574179 334364718 /nfs/dbraw/zinc/36/47/18/334364718.db2.gz AULFMTJKMCQIKL-YJBOKZPZSA-N 2 1 272.436 3.528 20 0 CHADMP CC[C@H](C)C[C@H](CC)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000251672525 334366514 /nfs/dbraw/zinc/36/65/14/334366514.db2.gz COIJQWRMOHFKNO-ZSNVMCELSA-N 2 1 266.473 3.806 20 0 CHADMP CC[C@H](C)C[C@H](CC)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000251672525 334366516 /nfs/dbraw/zinc/36/65/16/334366516.db2.gz COIJQWRMOHFKNO-ZSNVMCELSA-N 2 1 266.473 3.806 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000252440349 334379973 /nfs/dbraw/zinc/37/99/73/334379973.db2.gz ZZFBGADWBLBXJW-HZPDHXFCSA-N 2 1 286.463 3.558 20 0 CHADMP c1sc2ccccc2c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252673247 334384876 /nfs/dbraw/zinc/38/48/76/334384876.db2.gz HUVBFNIBVPMKKM-GJZGRUSLSA-N 2 1 286.444 3.618 20 0 CHADMP C/C(=C\c1ccccc1)C[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000091960570 334387349 /nfs/dbraw/zinc/38/73/49/334387349.db2.gz XIAFYBYRXVAURO-VVIBLMHHSA-N 2 1 295.430 3.870 20 0 CHADMP CC1(C)CC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC(C)(C)C1 ZINC000252738718 334388253 /nfs/dbraw/zinc/38/82/53/334388253.db2.gz FUTFEHPYXNAEFT-HOCLYGCPSA-N 2 1 278.484 3.808 20 0 CHADMP CC[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000554069682 334408706 /nfs/dbraw/zinc/40/87/06/334408706.db2.gz TUSMSWRHVLKEFI-FCEWJHQRSA-N 2 1 286.463 3.990 20 0 CHADMP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(OC)cc1 ZINC000262378223 334546763 /nfs/dbraw/zinc/54/67/63/334546763.db2.gz YLYZFVLLNJSFDV-CEXWTWQISA-N 2 1 296.414 3.881 20 0 CHADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000576436124 335202974 /nfs/dbraw/zinc/20/29/74/335202974.db2.gz LVZMISUGNBJXKC-BPQIPLTHSA-N 2 1 274.452 3.641 20 0 CHADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000576436124 335202976 /nfs/dbraw/zinc/20/29/76/335202976.db2.gz LVZMISUGNBJXKC-BPQIPLTHSA-N 2 1 274.452 3.641 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000576907769 335262858 /nfs/dbraw/zinc/26/28/58/335262858.db2.gz PMDLPKKTKMKIQQ-QRQLOZEOSA-N 2 1 286.463 3.643 20 0 CHADMP C[N@@H+](CCCC1CCCCC1)C[C@H]1CCC[NH+](C)C1 ZINC000577146064 335308332 /nfs/dbraw/zinc/30/83/32/335308332.db2.gz UQPJGKLSOHVBMA-QGZVFWFLSA-N 2 1 266.473 3.621 20 0 CHADMP C[NH+](CCCC1CCCCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000577146064 335308334 /nfs/dbraw/zinc/30/83/34/335308334.db2.gz UQPJGKLSOHVBMA-QGZVFWFLSA-N 2 1 266.473 3.621 20 0 CHADMP C[NH+](CCCC1CCCCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000577146064 335308335 /nfs/dbraw/zinc/30/83/35/335308335.db2.gz UQPJGKLSOHVBMA-QGZVFWFLSA-N 2 1 266.473 3.621 20 0 CHADMP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCCc2occc21)C(C)(C)C ZINC000192873845 335318588 /nfs/dbraw/zinc/31/85/88/335318588.db2.gz OUSDWIWNHRCDJA-ZBFHGGJFSA-N 2 1 278.440 3.613 20 0 CHADMP Cc1cccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)[nH+]1 ZINC000346239284 335359466 /nfs/dbraw/zinc/35/94/66/335359466.db2.gz PNYJFDOXWVPMRL-MAUKXSAKSA-N 2 1 295.430 3.713 20 0 CHADMP Cc1cccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)[nH+]1 ZINC000346239284 335359467 /nfs/dbraw/zinc/35/94/67/335359467.db2.gz PNYJFDOXWVPMRL-MAUKXSAKSA-N 2 1 295.430 3.713 20 0 CHADMP CC(C)Cc1cccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)c1 ZINC000579962126 335937928 /nfs/dbraw/zinc/93/79/28/335937928.db2.gz VILMXCZTCVQCEB-OAHLLOKOSA-N 2 1 274.452 3.630 20 0 CHADMP CN1CCC([N@H+](Cc2ccccc2)C[C@H]2CC=CCC2)CC1 ZINC000581456215 336079988 /nfs/dbraw/zinc/07/99/88/336079988.db2.gz VNYURLKIQUTLAQ-IBGZPJMESA-N 2 1 298.474 3.939 20 0 CHADMP C[NH+]1CCC([N@@H+](Cc2ccccc2)C[C@H]2CC=CCC2)CC1 ZINC000581456215 336079990 /nfs/dbraw/zinc/07/99/90/336079990.db2.gz VNYURLKIQUTLAQ-IBGZPJMESA-N 2 1 298.474 3.939 20 0 CHADMP C[NH+]1CCC([N@H+](Cc2ccccc2)C[C@H]2CC=CCC2)CC1 ZINC000581456215 336079991 /nfs/dbraw/zinc/07/99/91/336079991.db2.gz VNYURLKIQUTLAQ-IBGZPJMESA-N 2 1 298.474 3.939 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000386687371 336177194 /nfs/dbraw/zinc/17/71/94/336177194.db2.gz KNQOGGBYOBBQSR-ALKREAHSSA-N 2 1 280.415 3.585 20 0 CHADMP Cc1cc(Cl)cc(C[NH2+]C2CC[NH+](CC(C)C)CC2)c1 ZINC000582009370 336190572 /nfs/dbraw/zinc/19/05/72/336190572.db2.gz CVIPPWJEQWPMGJ-UHFFFAOYSA-N 2 1 294.870 3.858 20 0 CHADMP CCC[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000129715925 520793878 /nfs/dbraw/zinc/79/38/78/520793878.db2.gz WSAHBGKYOLQWAI-HYVNUMGLSA-N 2 1 260.425 3.600 20 0 CHADMP CCC[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000129715925 520793884 /nfs/dbraw/zinc/79/38/84/520793884.db2.gz WSAHBGKYOLQWAI-HYVNUMGLSA-N 2 1 260.425 3.600 20 0 CHADMP CC1CCC([N@@H+](CC[C@@H]2CCC[NH+]2C)C2CC2)CC1 ZINC000340367941 520937148 /nfs/dbraw/zinc/93/71/48/520937148.db2.gz CLHYNKZXCWLPSL-PCKAHOCUSA-N 2 1 264.457 3.514 20 0 CHADMP CC1CCC([NH+](CC[C@@H]2CCC[N@@H+]2C)C2CC2)CC1 ZINC000340367941 520937152 /nfs/dbraw/zinc/93/71/52/520937152.db2.gz CLHYNKZXCWLPSL-PCKAHOCUSA-N 2 1 264.457 3.514 20 0 CHADMP CC1CCC([NH+](CC[C@@H]2CCC[N@H+]2C)C2CC2)CC1 ZINC000340367941 520937157 /nfs/dbraw/zinc/93/71/57/520937157.db2.gz CLHYNKZXCWLPSL-PCKAHOCUSA-N 2 1 264.457 3.514 20 0 CHADMP CC[C@@H]([NH2+]CCC[NH+](CC)CC)c1cc(C)ccc1OC ZINC000357787847 517772781 /nfs/dbraw/zinc/77/27/81/517772781.db2.gz BVCDXIJUCDTREM-QGZVFWFLSA-N 2 1 292.467 3.776 20 0 CHADMP C/C(=C\c1ccccc1)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000276967003 518443574 /nfs/dbraw/zinc/44/35/74/518443574.db2.gz QVZIKPAPOQPEMH-JQIJEIRASA-N 2 1 283.419 3.617 20 0 CHADMP C/C(=C\c1ccccc1)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000276967003 518443580 /nfs/dbraw/zinc/44/35/80/518443580.db2.gz QVZIKPAPOQPEMH-JQIJEIRASA-N 2 1 283.419 3.617 20 0 CHADMP CC(C)n1cc([C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)cn1 ZINC000155839544 519643595 /nfs/dbraw/zinc/64/35/95/519643595.db2.gz GPOQPAZYYGRYPW-MRXNPFEDSA-N 2 1 294.487 3.624 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccs2)C1 ZINC000125785981 519676497 /nfs/dbraw/zinc/67/64/97/519676497.db2.gz GOSYTVGMNNQIAY-KBPBESRZSA-N 2 1 266.454 3.519 20 0 CHADMP CC(C)[NH2+]C1CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC000127747906 519719280 /nfs/dbraw/zinc/71/92/80/519719280.db2.gz RMWRAKMULRSCBZ-UHFFFAOYSA-N 2 1 288.460 3.864 20 0 CHADMP CC(C)SCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340398174 519787723 /nfs/dbraw/zinc/78/77/23/519787723.db2.gz SZTSXCZPQLVGED-IRXDYDNUSA-N 2 1 292.492 3.553 20 0 CHADMP CC(C)SCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340398174 519787724 /nfs/dbraw/zinc/78/77/24/519787724.db2.gz SZTSXCZPQLVGED-IRXDYDNUSA-N 2 1 292.492 3.553 20 0 CHADMP CCC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000037649492 521158554 /nfs/dbraw/zinc/15/85/54/521158554.db2.gz FWZMQBHBZBPWAT-YJBOKZPZSA-N 2 1 272.436 3.602 20 0 CHADMP CCCC[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000037267026 521239872 /nfs/dbraw/zinc/23/98/72/521239872.db2.gz PSXKSPJOJXZWKZ-KRWDZBQOSA-N 2 1 278.415 3.741 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000275782131 521581073 /nfs/dbraw/zinc/58/10/73/521581073.db2.gz XFNUFKKFCHDGMS-MOPGFXCFSA-N 2 1 286.463 3.571 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc3ccccc3c2)C[C@H]1C ZINC000337133581 521720839 /nfs/dbraw/zinc/72/08/39/521720839.db2.gz AZFCAPFYUQYMER-QAPCUYQASA-N 2 1 297.446 3.539 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc3ccccc3c2)C[C@H]1C ZINC000337133581 521720840 /nfs/dbraw/zinc/72/08/40/521720840.db2.gz AZFCAPFYUQYMER-QAPCUYQASA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc3ccccc3c2)C[C@H]1C ZINC000337133581 521720841 /nfs/dbraw/zinc/72/08/41/521720841.db2.gz AZFCAPFYUQYMER-QAPCUYQASA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc3ccccc3c2)C[C@H]1C ZINC000337133581 521720843 /nfs/dbraw/zinc/72/08/43/521720843.db2.gz AZFCAPFYUQYMER-QAPCUYQASA-N 2 1 297.446 3.539 20 0 CHADMP CCSc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000290354469 521757336 /nfs/dbraw/zinc/75/73/36/521757336.db2.gz GIAODDJZMFAWTG-PBHICJAKSA-N 2 1 292.492 3.571 20 0 CHADMP CCSc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000290354469 521757346 /nfs/dbraw/zinc/75/73/46/521757346.db2.gz GIAODDJZMFAWTG-PBHICJAKSA-N 2 1 292.492 3.571 20 0 CHADMP CCSc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000290354469 521757357 /nfs/dbraw/zinc/75/73/57/521757357.db2.gz GIAODDJZMFAWTG-PBHICJAKSA-N 2 1 292.492 3.571 20 0 CHADMP CCSc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000290354469 521757361 /nfs/dbraw/zinc/75/73/61/521757361.db2.gz GIAODDJZMFAWTG-PBHICJAKSA-N 2 1 292.492 3.571 20 0 CHADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000221277005 522057199 /nfs/dbraw/zinc/05/71/99/522057199.db2.gz ZQYGNDAMHTVBMV-GJZGRUSLSA-N 2 1 274.452 3.586 20 0 CHADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cc2ccccc2s1 ZINC000352546707 534647858 /nfs/dbraw/zinc/64/78/58/534647858.db2.gz ZHZUYUYTLCJEGC-AWEZNQCLSA-N 2 1 274.433 3.605 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2CC(c3ccccc3Cl)C2)CC[N@@H+]1C ZINC000157658238 524805247 /nfs/dbraw/zinc/80/52/47/524805247.db2.gz BWLPWQYEYQLUPC-LQULJDIASA-N 2 1 292.854 3.658 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2CC(c3ccccc3Cl)C2)CC[N@H+]1C ZINC000157658238 524805257 /nfs/dbraw/zinc/80/52/57/524805257.db2.gz BWLPWQYEYQLUPC-LQULJDIASA-N 2 1 292.854 3.658 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2CC(c3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC000157620157 524806026 /nfs/dbraw/zinc/80/60/26/524806026.db2.gz BRCABFSKZYUCTJ-OKKATSDQSA-N 2 1 292.854 3.658 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2CC(c3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC000157620157 524806036 /nfs/dbraw/zinc/80/60/36/524806036.db2.gz BRCABFSKZYUCTJ-OKKATSDQSA-N 2 1 292.854 3.658 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc2ccccc2s1 ZINC000290359798 524895657 /nfs/dbraw/zinc/89/56/57/524895657.db2.gz GUCGLGNRSFFEGW-CJNGLKHVSA-N 2 1 288.460 3.673 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc2ccccc2s1 ZINC000290359798 524895667 /nfs/dbraw/zinc/89/56/67/524895667.db2.gz GUCGLGNRSFFEGW-CJNGLKHVSA-N 2 1 288.460 3.673 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc2ccccc2s1 ZINC000290359798 524895677 /nfs/dbraw/zinc/89/56/77/524895677.db2.gz GUCGLGNRSFFEGW-CJNGLKHVSA-N 2 1 288.460 3.673 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc2ccccc2s1 ZINC000290359798 524895691 /nfs/dbraw/zinc/89/56/91/524895691.db2.gz GUCGLGNRSFFEGW-CJNGLKHVSA-N 2 1 288.460 3.673 20 0 CHADMP Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157267902 525416443 /nfs/dbraw/zinc/41/64/43/525416443.db2.gz XMZUCWAPIAIUSZ-DOPJRALCSA-N 2 1 266.388 3.790 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000049553505 525595339 /nfs/dbraw/zinc/59/53/39/525595339.db2.gz UVHBSVKCMPOLAH-WDEREUQCSA-N 2 1 289.250 3.984 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1F ZINC000157470611 525948374 /nfs/dbraw/zinc/94/83/74/525948374.db2.gz SOAJISNWSGOURX-IGNZVWTISA-N 2 1 284.378 3.930 20 0 CHADMP Fc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)ccc1Cl ZINC000299337791 526296707 /nfs/dbraw/zinc/29/67/07/526296707.db2.gz NKRMRMXAOWNPCE-UHFFFAOYSA-N 2 1 296.817 3.586 20 0 CHADMP Cc1oc2ccccc2c1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000290395756 526785594 /nfs/dbraw/zinc/78/55/94/526785594.db2.gz JBEVLEWOYNJBDR-DYVFJYSZSA-N 2 1 286.419 3.513 20 0 CHADMP Cc1oc2ccccc2c1C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000290395756 526785600 /nfs/dbraw/zinc/78/56/00/526785600.db2.gz JBEVLEWOYNJBDR-DYVFJYSZSA-N 2 1 286.419 3.513 20 0 CHADMP Cc1oc2ccccc2c1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000290395756 526785602 /nfs/dbraw/zinc/78/56/02/526785602.db2.gz JBEVLEWOYNJBDR-DYVFJYSZSA-N 2 1 286.419 3.513 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000290395756 526785607 /nfs/dbraw/zinc/78/56/07/526785607.db2.gz JBEVLEWOYNJBDR-DYVFJYSZSA-N 2 1 286.419 3.513 20 0 CHADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3sccc32)c2ccccc21 ZINC000157444713 527375330 /nfs/dbraw/zinc/37/53/30/527375330.db2.gz KIPFUDFGXIJTNK-BZUAXINKSA-N 2 1 284.428 3.860 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000289360877 527404848 /nfs/dbraw/zinc/40/48/48/527404848.db2.gz ZERYBLNIMMVSQB-KDOFPFPSSA-N 2 1 283.419 3.810 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000049329857 527431445 /nfs/dbraw/zinc/43/14/45/527431445.db2.gz YVSJWLYLBGMMMD-JTQLQIEISA-N 2 1 298.217 3.849 20 0 CHADMP CC(C)(C)CC[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192931328 527671123 /nfs/dbraw/zinc/67/11/23/527671123.db2.gz ZVIUOKADPYFVOY-QGZVFWFLSA-N 2 1 274.452 3.534 20 0 CHADMP CCC(CC)[N@@H+](Cc1ncc(C[NH+](C)C)s1)CC(C)C ZINC000347851790 528780809 /nfs/dbraw/zinc/78/08/09/528780809.db2.gz IDKDWFMOUMFRLN-UHFFFAOYSA-N 2 1 297.512 3.851 20 0 CHADMP CCC(CC)[N@H+](Cc1ncc(C[NH+](C)C)s1)CC(C)C ZINC000347851790 528780810 /nfs/dbraw/zinc/78/08/10/528780810.db2.gz IDKDWFMOUMFRLN-UHFFFAOYSA-N 2 1 297.512 3.851 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cscc1C(F)(F)F ZINC000352841739 528818270 /nfs/dbraw/zinc/81/82/70/528818270.db2.gz SNSOYEICEKTJGT-UHFFFAOYSA-N 2 1 294.386 3.587 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cscc1C(F)(F)F ZINC000352841739 528818275 /nfs/dbraw/zinc/81/82/75/528818275.db2.gz SNSOYEICEKTJGT-UHFFFAOYSA-N 2 1 294.386 3.587 20 0 CHADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192931080 529206299 /nfs/dbraw/zinc/20/62/99/529206299.db2.gz KGDILMKGSHBBRQ-JZXOWHBKSA-N 2 1 274.452 3.533 20 0 CHADMP CCSc1cccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000352526726 529250380 /nfs/dbraw/zinc/25/03/80/529250380.db2.gz RCMUKKJVMGJRJR-OAHLLOKOSA-N 2 1 278.465 3.502 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(Cl)cc1C ZINC000129429477 1125474256 /nfs/dbraw/zinc/47/42/56/1125474256.db2.gz CUMCACRWTBXFRT-GFCCVEGCSA-N 2 1 291.826 3.579 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[C@H]1CCC[C@@H](C)C1 ZINC000623543439 1117870226 /nfs/dbraw/zinc/87/02/26/1117870226.db2.gz RULUEHSOCPZEML-FXUDXRNXSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@H](C)CCc1ccccc1 ZINC001202646757 1125484121 /nfs/dbraw/zinc/48/41/21/1125484121.db2.gz MJFRVLHVGQVMGM-SJORKVTESA-N 2 1 276.468 3.574 20 0 CHADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@H](C)CCc1ccccc1 ZINC001202646757 1125484123 /nfs/dbraw/zinc/48/41/23/1125484123.db2.gz MJFRVLHVGQVMGM-SJORKVTESA-N 2 1 276.468 3.574 20 0 CHADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000430722600 1118765067 /nfs/dbraw/zinc/76/50/67/1118765067.db2.gz QRTDRHYQPMWSCY-FJIDUMEYSA-N 2 1 280.500 3.911 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000090720588 1118813834 /nfs/dbraw/zinc/81/38/34/1118813834.db2.gz CFAHTQADZFZYMD-ZYHUDNBSSA-N 2 1 287.234 3.566 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000090720588 1118813840 /nfs/dbraw/zinc/81/38/40/1118813840.db2.gz CFAHTQADZFZYMD-ZYHUDNBSSA-N 2 1 287.234 3.566 20 0 CHADMP CCC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000414175632 1119927167 /nfs/dbraw/zinc/92/71/67/1119927167.db2.gz HMVVXARMPRDNBP-ZBFHGGJFSA-N 2 1 280.481 3.911 20 0 CHADMP CC[N@@H+](CCC1CC[NH+](CCCCF)CC1)CC(C)C ZINC000509033184 1120605478 /nfs/dbraw/zinc/60/54/78/1120605478.db2.gz PESFAUIDJDGEGN-UHFFFAOYSA-N 2 1 286.479 3.816 20 0 CHADMP CC(C)CC(CC(C)C)[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000228079883 1120732890 /nfs/dbraw/zinc/73/28/90/1120732890.db2.gz CLRHIHRGDZXQPE-SFHVURJKSA-N 2 1 280.500 3.913 20 0 CHADMP CCCC[C@H](CC)CC[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000536396494 1121747562 /nfs/dbraw/zinc/74/75/62/1121747562.db2.gz VWDDRTFKIWYKRP-HOTGVXAUSA-N 2 1 266.473 3.667 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC001182115883 1122109980 /nfs/dbraw/zinc/10/99/80/1122109980.db2.gz VKMJOLAPPWBMCM-ARFHVFGLSA-N 2 1 268.489 3.911 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC001182115883 1122109985 /nfs/dbraw/zinc/10/99/85/1122109985.db2.gz VKMJOLAPPWBMCM-ARFHVFGLSA-N 2 1 268.489 3.911 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)[C@@H](C)C1 ZINC000503014890 1122162536 /nfs/dbraw/zinc/16/25/36/1122162536.db2.gz IFQMAVKRGIRNGF-HOCLYGCPSA-N 2 1 266.473 3.523 20 0 CHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)CC1CCCC1 ZINC001182712531 1122184793 /nfs/dbraw/zinc/18/47/93/1122184793.db2.gz AZYBFRGBPWTRAP-OAHLLOKOSA-N 2 1 254.462 3.523 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205296219 1122274545 /nfs/dbraw/zinc/27/45/45/1122274545.db2.gz JGMBHJSSQWDJAZ-YESZJQIVSA-N 2 1 266.473 3.676 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](C)C2CCCCC2)C1 ZINC001191260071 1122585842 /nfs/dbraw/zinc/58/58/42/1122585842.db2.gz ZCZAUMDDVDZVOI-SJORKVTESA-N 2 1 280.500 3.867 20 0 CHADMP CCCC[C@H](CC)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205602758 1122651133 /nfs/dbraw/zinc/65/11/33/1122651133.db2.gz MESPQXBKSYCFRF-OWCLPIDISA-N 2 1 254.462 3.510 20 0 CHADMP CCC[NH+]1C[C@@H]2C[N@@H+](C[C@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001201496809 1123110440 /nfs/dbraw/zinc/11/04/40/1123110440.db2.gz RTZCVKFNVUUWGM-KURKYZTESA-N 2 1 278.484 3.643 20 0 CHADMP CCC[NH+]1C[C@@H]2C[N@H+](C[C@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001201496809 1123110443 /nfs/dbraw/zinc/11/04/43/1123110443.db2.gz RTZCVKFNVUUWGM-KURKYZTESA-N 2 1 278.484 3.643 20 0 CHADMP CC(C)=CCC[C@H](C)C[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001201496425 1123110642 /nfs/dbraw/zinc/11/06/42/1123110642.db2.gz NNHWVMAYRUXLMT-INIZCTEOSA-N 2 1 278.484 3.928 20 0 CHADMP C[C@H]([NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1)C1CCSCC1 ZINC000474608954 1123557761 /nfs/dbraw/zinc/55/77/61/1123557761.db2.gz ZQSYUVFUXUUYGR-VYDXJSESSA-N 2 1 298.540 3.618 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C)CCC(C)CC2)[C@@H](C)C1 ZINC000475431890 1123864595 /nfs/dbraw/zinc/86/45/95/1123864595.db2.gz WHFHQYRAZSJWBV-VUROTCPHSA-N 2 1 266.473 3.523 20 0 CHADMP CCCCCC1CCC([N@H+]2CC[C@@](C)([NH3+])C2)CC1 ZINC001246531612 1131562018 /nfs/dbraw/zinc/56/20/18/1131562018.db2.gz RGAYZCIFYXTPKS-UYSNPLJNSA-N 2 1 252.446 3.549 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246548792 1131601298 /nfs/dbraw/zinc/60/12/98/1131601298.db2.gz KCZGRAOILYQMKO-HRCADAONSA-N 2 1 272.452 3.744 20 0 CHADMP CC[N@@H+](CCCCCC[NH3+])Cc1ccc(Cl)cc1 ZINC000846218739 1131701010 /nfs/dbraw/zinc/70/10/10/1131701010.db2.gz SMTWAQZSIUCYOG-UHFFFAOYSA-N 2 1 268.832 3.681 20 0 CHADMP CCCCCC[C@@H](CCCC)[N@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001246634972 1131749557 /nfs/dbraw/zinc/74/95/57/1131749557.db2.gz IOABPYNWHFNZGB-SJORKVTESA-N 2 1 266.473 3.953 20 0 CHADMP C[C@@H]1CCCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171631732 1132062949 /nfs/dbraw/zinc/06/29/49/1132062949.db2.gz MNGDHOKUASAJIY-CQSZACIVSA-N 2 1 266.473 3.760 20 0 CHADMP CCCCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001206714403 1133734345 /nfs/dbraw/zinc/73/43/45/1133734345.db2.gz FWWSKGBKIIJGDQ-HZPDHXFCSA-N 2 1 266.473 3.952 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222191744 1135206370 /nfs/dbraw/zinc/20/63/70/1135206370.db2.gz OQODUXNPNMWFRI-IAGOWNOFSA-N 2 1 264.457 3.587 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222191744 1135206374 /nfs/dbraw/zinc/20/63/74/1135206374.db2.gz OQODUXNPNMWFRI-IAGOWNOFSA-N 2 1 264.457 3.587 20 0 CHADMP C[C@H]1C[C@@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCC2)CC[N@@H+]1C ZINC000119305901 1125533162 /nfs/dbraw/zinc/53/31/62/1125533162.db2.gz VJGSYXYIDXRCRA-DOPJRALCSA-N 2 1 290.426 3.739 20 0 CHADMP C[C@H]1C[C@@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCC2)CC[N@H+]1C ZINC000119305901 1125533167 /nfs/dbraw/zinc/53/31/67/1125533167.db2.gz VJGSYXYIDXRCRA-DOPJRALCSA-N 2 1 290.426 3.739 20 0 CHADMP CC[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1cc(F)ccc1F ZINC000119664613 1125536481 /nfs/dbraw/zinc/53/64/81/1125536481.db2.gz KOVLGRRWEAXXGS-QGZVFWFLSA-N 2 1 294.389 3.632 20 0 CHADMP Cc1ccc(C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)cc1 ZINC000119739685 1125537825 /nfs/dbraw/zinc/53/78/25/1125537825.db2.gz KFGVQFZWMKWZMF-FQEVSTJZSA-N 2 1 298.474 3.533 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205980791 1125560292 /nfs/dbraw/zinc/56/02/92/1125560292.db2.gz AEWBEVXAUPCEQX-PPPANMTLSA-N 2 1 266.473 3.820 20 0 CHADMP Cc1cc(C)cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000533534709 1125615338 /nfs/dbraw/zinc/61/53/38/1125615338.db2.gz MYGPGYZQOYSKRM-QUCCMNQESA-N 2 1 298.474 3.752 20 0 CHADMP Cc1cc(C)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000533534709 1125615341 /nfs/dbraw/zinc/61/53/41/1125615341.db2.gz MYGPGYZQOYSKRM-QUCCMNQESA-N 2 1 298.474 3.752 20 0 CHADMP CO[C@H]1CCC[C@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)CC1 ZINC000885914226 1125625940 /nfs/dbraw/zinc/62/59/40/1125625940.db2.gz PAKNJNOFXYUTPG-WMZOPIPTSA-N 2 1 296.499 3.578 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)o1 ZINC000246976807 1125652183 /nfs/dbraw/zinc/65/21/83/1125652183.db2.gz JKMCDQOPGSZGCJ-GDBMZVCRSA-N 2 1 278.440 3.893 20 0 CHADMP CC(C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000247966386 1125661336 /nfs/dbraw/zinc/66/13/36/1125661336.db2.gz GVZPDNZAPIZAIF-OFQRWUPVSA-N 2 1 280.481 3.765 20 0 CHADMP CC(C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000247966386 1125661339 /nfs/dbraw/zinc/66/13/39/1125661339.db2.gz GVZPDNZAPIZAIF-OFQRWUPVSA-N 2 1 280.481 3.765 20 0 CHADMP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000248426571 1125669437 /nfs/dbraw/zinc/66/94/37/1125669437.db2.gz NENQUTSNSDJOAN-AJYUKVHDSA-N 2 1 276.468 3.584 20 0 CHADMP C[C@H]1C[N@@H+](CCCc2ccccc2Cl)CCC[C@@H]1C[NH3+] ZINC001205981880 1125679103 /nfs/dbraw/zinc/67/91/03/1125679103.db2.gz IOAUJVKWCAEBRL-GOEBONIOSA-N 2 1 294.870 3.579 20 0 CHADMP C[C@@H]1C[N@@H+](CCCc2ccccc2Cl)CCC[C@@H]1C[NH3+] ZINC001205981879 1125679377 /nfs/dbraw/zinc/67/93/77/1125679377.db2.gz IOAUJVKWCAEBRL-GDBMZVCRSA-N 2 1 294.870 3.579 20 0 CHADMP CC/C=C/CC[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886662292 1125705944 /nfs/dbraw/zinc/70/59/44/1125705944.db2.gz AZLUTVZDDMMEGR-AATRIKPKSA-N 2 1 261.413 3.562 20 0 CHADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1cccc(C)c1 ZINC000285791431 1125714910 /nfs/dbraw/zinc/71/49/10/1125714910.db2.gz UTRAIIPIGKCVQD-KRWDZBQOSA-N 2 1 260.425 3.520 20 0 CHADMP FC(F)c1cccc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000886874612 1125723698 /nfs/dbraw/zinc/72/36/98/1125723698.db2.gz RPGBQSVKRMQSPT-QGZVFWFLSA-N 2 1 294.389 3.590 20 0 CHADMP FC(F)c1cccc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000886874612 1125723705 /nfs/dbraw/zinc/72/37/05/1125723705.db2.gz RPGBQSVKRMQSPT-QGZVFWFLSA-N 2 1 294.389 3.590 20 0 CHADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000261739360 1125741004 /nfs/dbraw/zinc/74/10/04/1125741004.db2.gz PBNIVVVHSJCDQJ-QGZVFWFLSA-N 2 1 286.444 3.586 20 0 CHADMP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000261882455 1125746289 /nfs/dbraw/zinc/74/62/89/1125746289.db2.gz UTEFJHWTBMHVLK-LJQANCHMSA-N 2 1 298.405 3.663 20 0 CHADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000261882455 1125746296 /nfs/dbraw/zinc/74/62/96/1125746296.db2.gz UTEFJHWTBMHVLK-LJQANCHMSA-N 2 1 298.405 3.663 20 0 CHADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000261882452 1125746655 /nfs/dbraw/zinc/74/66/55/1125746655.db2.gz UTEFJHWTBMHVLK-IBGZPJMESA-N 2 1 298.405 3.663 20 0 CHADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000261882452 1125746662 /nfs/dbraw/zinc/74/66/62/1125746662.db2.gz UTEFJHWTBMHVLK-IBGZPJMESA-N 2 1 298.405 3.663 20 0 CHADMP c1sc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1-c1ccccc1 ZINC000262005224 1125749013 /nfs/dbraw/zinc/74/90/13/1125749013.db2.gz LRPVUJYLZLWTND-GOSISDBHSA-N 2 1 298.455 3.601 20 0 CHADMP CCCC[C@@H](CC)CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430125688 1125760469 /nfs/dbraw/zinc/76/04/69/1125760469.db2.gz CNDJOXDXKOXFQU-IAGOWNOFSA-N 2 1 266.473 3.621 20 0 CHADMP CCCC[C@@H](CC)CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000430125688 1125760474 /nfs/dbraw/zinc/76/04/74/1125760474.db2.gz CNDJOXDXKOXFQU-IAGOWNOFSA-N 2 1 266.473 3.621 20 0 CHADMP CCCC[C@@H](CC)CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000430125688 1125760477 /nfs/dbraw/zinc/76/04/77/1125760477.db2.gz CNDJOXDXKOXFQU-IAGOWNOFSA-N 2 1 266.473 3.621 20 0 CHADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+](CC2CCC2)CC1 ZINC001202740095 1125781166 /nfs/dbraw/zinc/78/11/66/1125781166.db2.gz SAJHAGVAZMPVEW-UHFFFAOYSA-N 2 1 286.463 3.773 20 0 CHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](CC3CCC3)C[C@@H]21 ZINC001202739734 1125782779 /nfs/dbraw/zinc/78/27/79/1125782779.db2.gz ORAJVFNTCCLVBB-UFYCRDLUSA-N 2 1 298.474 3.897 20 0 CHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]21 ZINC001202739734 1125782787 /nfs/dbraw/zinc/78/27/87/1125782787.db2.gz ORAJVFNTCCLVBB-UFYCRDLUSA-N 2 1 298.474 3.897 20 0 CHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](CC3CCC3)C[C@@H]21 ZINC001202739734 1125782793 /nfs/dbraw/zinc/78/27/93/1125782793.db2.gz ORAJVFNTCCLVBB-UFYCRDLUSA-N 2 1 298.474 3.897 20 0 CHADMP CSc1cc(C)cc(C[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC001238686533 1131233084 /nfs/dbraw/zinc/23/30/84/1131233084.db2.gz WJLQWMRJDVPRDU-UHFFFAOYSA-N 2 1 292.492 3.635 20 0 CHADMP CSc1cc(C)cc(C[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC001238686533 1131233087 /nfs/dbraw/zinc/23/30/87/1131233087.db2.gz WJLQWMRJDVPRDU-UHFFFAOYSA-N 2 1 292.492 3.635 20 0 CHADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccc(Cl)cc1 ZINC000348041598 1129276119 /nfs/dbraw/zinc/27/61/19/1129276119.db2.gz HVUZBLDYKZSTOW-MRXNPFEDSA-N 2 1 280.843 3.646 20 0 CHADMP CC[C@H](C)[C@@H](C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC001168836177 1129675779 /nfs/dbraw/zinc/67/57/79/1129675779.db2.gz AXJRRBHEAUJXRH-LSDHHAIUSA-N 2 1 262.441 3.615 20 0 CHADMP CSC(C)(C)C[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001258328124 1129204949 /nfs/dbraw/zinc/20/49/49/1129204949.db2.gz VMIDMDJXYSBLOY-APIJFGDWSA-N 2 1 284.513 3.512 20 0 CHADMP CSC(C)(C)C[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001258328124 1129204952 /nfs/dbraw/zinc/20/49/52/1129204952.db2.gz VMIDMDJXYSBLOY-APIJFGDWSA-N 2 1 284.513 3.512 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)c1ccccc1 ZINC000164049809 1129205694 /nfs/dbraw/zinc/20/56/94/1129205694.db2.gz INPKPTYVQDCYRM-NJAFHUGGSA-N 2 1 288.479 3.815 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)c1ccccc1 ZINC000164049809 1129205696 /nfs/dbraw/zinc/20/56/96/1129205696.db2.gz INPKPTYVQDCYRM-NJAFHUGGSA-N 2 1 288.479 3.815 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@H]1CCC(C)C ZINC000338011855 1126709601 /nfs/dbraw/zinc/70/96/01/1126709601.db2.gz JEWBSNYDSZBHLH-IRXDYDNUSA-N 2 1 277.456 3.776 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000338026592 1126712482 /nfs/dbraw/zinc/71/24/82/1126712482.db2.gz KCIHJYPOIMHFDY-SFHVURJKSA-N 2 1 297.446 3.984 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[NH2+]CCCn1cc[nH+]c1C ZINC000338160030 1126721173 /nfs/dbraw/zinc/72/11/73/1126721173.db2.gz UMQHAUZVORCGCE-MRXNPFEDSA-N 2 1 277.456 3.944 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1ccc(F)cc1F ZINC000136291736 1126725208 /nfs/dbraw/zinc/72/52/08/1126725208.db2.gz ROGVWQPEPPJXCI-GFCCVEGCSA-N 2 1 293.361 3.553 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1ccc(F)cc1F ZINC000136291736 1126725211 /nfs/dbraw/zinc/72/52/11/1126725211.db2.gz ROGVWQPEPPJXCI-GFCCVEGCSA-N 2 1 293.361 3.553 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000136393431 1126726810 /nfs/dbraw/zinc/72/68/10/1126726810.db2.gz ZUVAUJVGRIGMFK-INIZCTEOSA-N 2 1 287.407 3.792 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000136393431 1126726812 /nfs/dbraw/zinc/72/68/12/1126726812.db2.gz ZUVAUJVGRIGMFK-INIZCTEOSA-N 2 1 287.407 3.792 20 0 CHADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000338263926 1126727996 /nfs/dbraw/zinc/72/79/96/1126727996.db2.gz MBSYLFQXOMHRQA-OAHLLOKOSA-N 2 1 266.454 3.617 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000338263926 1126727999 /nfs/dbraw/zinc/72/79/99/1126727999.db2.gz MBSYLFQXOMHRQA-OAHLLOKOSA-N 2 1 266.454 3.617 20 0 CHADMP C[C@H]1CC[C@@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170120119 1130277600 /nfs/dbraw/zinc/27/76/00/1130277600.db2.gz FHTAHRZMEDWFSH-NXNVCVFFSA-N 2 1 264.457 3.690 20 0 CHADMP CC1=C(c2ccco2)C[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000338342112 1126735635 /nfs/dbraw/zinc/73/56/35/1126735635.db2.gz FKCNUSQPFCAJQA-MRXNPFEDSA-N 2 1 288.435 3.633 20 0 CHADMP CC1=C(c2ccco2)C[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000338342112 1126735639 /nfs/dbraw/zinc/73/56/39/1126735639.db2.gz FKCNUSQPFCAJQA-MRXNPFEDSA-N 2 1 288.435 3.633 20 0 CHADMP CC1=C(c2ccco2)C[N@H+](CC[C@H]2CCCC[NH+]2C)CC1 ZINC000338342112 1126735644 /nfs/dbraw/zinc/73/56/44/1126735644.db2.gz FKCNUSQPFCAJQA-MRXNPFEDSA-N 2 1 288.435 3.633 20 0 CHADMP CC1=C(c2ccco2)C[N@@H+](CC[C@H]2CCCC[NH+]2C)CC1 ZINC000338342112 1126735649 /nfs/dbraw/zinc/73/56/49/1126735649.db2.gz FKCNUSQPFCAJQA-MRXNPFEDSA-N 2 1 288.435 3.633 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1c[nH]c2ccccc12 ZINC000338344227 1126735843 /nfs/dbraw/zinc/73/58/43/1126735843.db2.gz HOUFBNPBWWYVLD-UHFFFAOYSA-N 2 1 287.451 3.722 20 0 CHADMP CCCc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC000481999837 1126737351 /nfs/dbraw/zinc/73/73/51/1126737351.db2.gz HVWKXTCYOTUHEK-VQIMIIECSA-N 2 1 288.479 3.801 20 0 CHADMP CCCc1cccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000481999837 1126737353 /nfs/dbraw/zinc/73/73/53/1126737353.db2.gz HVWKXTCYOTUHEK-VQIMIIECSA-N 2 1 288.479 3.801 20 0 CHADMP CCCc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000481999837 1126737356 /nfs/dbraw/zinc/73/73/56/1126737356.db2.gz HVWKXTCYOTUHEK-VQIMIIECSA-N 2 1 288.479 3.801 20 0 CHADMP CCCc1cccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC000481999833 1126737854 /nfs/dbraw/zinc/73/78/54/1126737854.db2.gz HVWKXTCYOTUHEK-APWZRJJASA-N 2 1 288.479 3.801 20 0 CHADMP CCCc1cccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000481999833 1126737855 /nfs/dbraw/zinc/73/78/55/1126737855.db2.gz HVWKXTCYOTUHEK-APWZRJJASA-N 2 1 288.479 3.801 20 0 CHADMP CCCc1cccc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000481999833 1126737859 /nfs/dbraw/zinc/73/78/59/1126737859.db2.gz HVWKXTCYOTUHEK-APWZRJJASA-N 2 1 288.479 3.801 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000482152433 1126743102 /nfs/dbraw/zinc/74/31/02/1126743102.db2.gz XRMZBYGPWFETAF-IRXDYDNUSA-N 2 1 266.473 3.643 20 0 CHADMP CC(C)[NH2+]C1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000151652710 1126756005 /nfs/dbraw/zinc/75/60/05/1126756005.db2.gz SGYYRAKNLGXPQI-GOSISDBHSA-N 2 1 290.426 3.666 20 0 CHADMP CC[NH+](C/C=C/C[N@H+](CC)CC1CCC1)CC1CCC1 ZINC000483123805 1126769197 /nfs/dbraw/zinc/76/91/97/1126769197.db2.gz FVNGNHXPCRWCDM-AATRIKPKSA-N 2 1 278.484 3.787 20 0 CHADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCCC1 ZINC000483190193 1126773096 /nfs/dbraw/zinc/77/30/96/1126773096.db2.gz BAMJLQVROVEUCV-SJORKVTESA-N 2 1 264.457 3.515 20 0 CHADMP CC(C)[NH+](CCC[NH2+][C@H]1CCc2c1cccc2F)C(C)C ZINC000483873158 1126804848 /nfs/dbraw/zinc/80/48/48/1126804848.db2.gz QTICJNDXQAFFFM-SFHVURJKSA-N 2 1 292.442 3.912 20 0 CHADMP [NH3+][C@H]1C[C@@H](C[N@@H+](Cc2ccc3ccccc3c2)C2CC2)C1 ZINC000904307976 1126844120 /nfs/dbraw/zinc/84/41/20/1126844120.db2.gz ZOUUKRLJUQVIQM-RHNCMZPLSA-N 2 1 280.415 3.542 20 0 CHADMP CCC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H](C)c1cc2ccccc2o1 ZINC000904313738 1126844283 /nfs/dbraw/zinc/84/42/83/1126844283.db2.gz ZEEAMIZZHISZSF-FMKPAKJESA-N 2 1 286.419 3.943 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(C)(C)CC)C[C@H]1C ZINC000484924628 1126856704 /nfs/dbraw/zinc/85/67/04/1126856704.db2.gz IBUANBGMYZPMKD-CABCVRRESA-N 2 1 254.462 3.617 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(C)(C)CC)C[C@H]1C ZINC000484924628 1126856708 /nfs/dbraw/zinc/85/67/08/1126856708.db2.gz IBUANBGMYZPMKD-CABCVRRESA-N 2 1 254.462 3.617 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(C)(C)CC)C[C@H]1C ZINC000484924628 1126856712 /nfs/dbraw/zinc/85/67/12/1126856712.db2.gz IBUANBGMYZPMKD-CABCVRRESA-N 2 1 254.462 3.617 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCCSC2)c1 ZINC000183459961 1126887981 /nfs/dbraw/zinc/88/79/81/1126887981.db2.gz GWZBRAIEJIDIQE-KRWDZBQOSA-N 2 1 292.492 3.512 20 0 CHADMP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1cccnc1 ZINC000185357818 1126899609 /nfs/dbraw/zinc/89/96/09/1126899609.db2.gz RJWFYQCKLYMQBD-FUHWJXTLSA-N 2 1 289.467 3.633 20 0 CHADMP CC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1cccc(F)c1 ZINC000187957882 1126917531 /nfs/dbraw/zinc/91/75/31/1126917531.db2.gz BGZUZCVIXRNBCZ-SUMWQHHRSA-N 2 1 289.398 3.708 20 0 CHADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(F)cc(Cl)c2)C[C@H]1C ZINC000485687038 1126943031 /nfs/dbraw/zinc/94/30/31/1126943031.db2.gz VFKOTIDYXGSCQW-WBMJQRKESA-N 2 1 298.833 3.784 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1csc(Cl)c1 ZINC000191265642 1126950009 /nfs/dbraw/zinc/95/00/09/1126950009.db2.gz YDGLCQNECHYECX-WDEREUQCSA-N 2 1 297.855 3.893 20 0 CHADMP CCCC[NH+](CCCC)CCCO[C@@H]1CCC[N@@H+](C)CC1 ZINC001224754833 1126961990 /nfs/dbraw/zinc/96/19/90/1126961990.db2.gz GTEZVPXLLQQCNZ-GOSISDBHSA-N 2 1 298.515 3.780 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000194423015 1126974901 /nfs/dbraw/zinc/97/49/01/1126974901.db2.gz VATDKUSCLNFRAE-SJORKVTESA-N 2 1 274.452 3.500 20 0 CHADMP C[N@@H+](CCCC[NH3+])Cc1ccc(-c2cccs2)s1 ZINC001236142623 1130874784 /nfs/dbraw/zinc/87/47/84/1130874784.db2.gz YYDUBRQDXSJIRO-UHFFFAOYSA-N 2 1 280.462 3.647 20 0 CHADMP C[NH+](C)[C@H](CNc1cc[nH+]cc1Cl)c1cccs1 ZINC000267319778 1126997088 /nfs/dbraw/zinc/99/70/88/1126997088.db2.gz YSRLOKBMUYRQMV-GFCCVEGCSA-N 2 1 281.812 3.511 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000267374180 1126998784 /nfs/dbraw/zinc/99/87/84/1126998784.db2.gz KZQGKORWRYSVNV-INIZCTEOSA-N 2 1 289.467 3.587 20 0 CHADMP Cc1cccnc1[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)C(C)C ZINC000268098217 1127011750 /nfs/dbraw/zinc/01/17/50/1127011750.db2.gz KDRVOOSMYALLOP-SJORKVTESA-N 2 1 289.467 3.551 20 0 CHADMP Cc1cccnc1[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)C(C)C ZINC000268098217 1127011753 /nfs/dbraw/zinc/01/17/53/1127011753.db2.gz KDRVOOSMYALLOP-SJORKVTESA-N 2 1 289.467 3.551 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc2ccccc2s1 ZINC000268236664 1127014058 /nfs/dbraw/zinc/01/40/58/1127014058.db2.gz WNFZHWFRSYOHCS-UHFFFAOYSA-N 2 1 285.416 3.586 20 0 CHADMP c1ccc([C@H]2CCC[C@H]2[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000268764655 1127022922 /nfs/dbraw/zinc/02/29/22/1127022922.db2.gz PLIGYUGRNAHEAT-RTBURBONSA-N 2 1 284.447 3.539 20 0 CHADMP Cc1ccccc1[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000268900942 1127027993 /nfs/dbraw/zinc/02/79/93/1127027993.db2.gz QDTLALCVDLLZOL-QGPMSJSTSA-N 2 1 272.436 3.518 20 0 CHADMP Cc1ccccc1[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000268900942 1127027997 /nfs/dbraw/zinc/02/79/97/1127027997.db2.gz QDTLALCVDLLZOL-QGPMSJSTSA-N 2 1 272.436 3.518 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000268918776 1127028930 /nfs/dbraw/zinc/02/89/30/1127028930.db2.gz PSWGGFQSVTUZBD-LZQZEXGQSA-N 2 1 297.446 3.754 20 0 CHADMP C(C1CC1)[NH+]1CCC([NH+]2CCC3(CCCCC3)CC2)CC1 ZINC001168372847 1127034667 /nfs/dbraw/zinc/03/46/67/1127034667.db2.gz MGEXASBHODFXBN-UHFFFAOYSA-N 2 1 290.495 3.907 20 0 CHADMP Cc1ccsc1[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000268978058 1127030832 /nfs/dbraw/zinc/03/08/32/1127030832.db2.gz HEOINEGHUMQWFF-CYBMUJFWSA-N 2 1 278.465 3.724 20 0 CHADMP Cc1ccsc1[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000268978059 1127030866 /nfs/dbraw/zinc/03/08/66/1127030866.db2.gz HEOINEGHUMQWFF-ZDUSSCGKSA-N 2 1 278.465 3.724 20 0 CHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3coc4ccccc34)C2)CC1 ZINC000349195610 1127142657 /nfs/dbraw/zinc/14/26/57/1127142657.db2.gz SYCASFYUUIGKQB-INIZCTEOSA-N 2 1 298.430 3.597 20 0 CHADMP CC[C@H]1CCC[C@@H](C[N@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000349408317 1127149897 /nfs/dbraw/zinc/14/98/97/1127149897.db2.gz PFOAGSXIGQCZCW-DLBZAZTESA-N 2 1 277.456 3.730 20 0 CHADMP CC[C@H]1CCC[C@@H](C[N@@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000349408317 1127149900 /nfs/dbraw/zinc/14/99/00/1127149900.db2.gz PFOAGSXIGQCZCW-DLBZAZTESA-N 2 1 277.456 3.730 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1C(C)=CCC[C@H]1C ZINC000349406070 1127149926 /nfs/dbraw/zinc/14/99/26/1127149926.db2.gz JSDMGIPQFCYOSK-NVXWUHKLSA-N 2 1 275.440 3.506 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1C(C)=CCC[C@H]1C ZINC000349406070 1127149928 /nfs/dbraw/zinc/14/99/28/1127149928.db2.gz JSDMGIPQFCYOSK-NVXWUHKLSA-N 2 1 275.440 3.506 20 0 CHADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000349855322 1127164820 /nfs/dbraw/zinc/16/48/20/1127164820.db2.gz XLEOMOLKXVLSKQ-JZXOWHBKSA-N 2 1 286.463 3.753 20 0 CHADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000349855322 1127164822 /nfs/dbraw/zinc/16/48/22/1127164822.db2.gz XLEOMOLKXVLSKQ-JZXOWHBKSA-N 2 1 286.463 3.753 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](Cc1ccccc1C)C1CC1 ZINC000284131951 1127175298 /nfs/dbraw/zinc/17/52/98/1127175298.db2.gz CXRNOGHWICQYRQ-IBGZPJMESA-N 2 1 297.446 3.501 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC=C(C)CC2)c1 ZINC000571986184 1127184110 /nfs/dbraw/zinc/18/41/10/1127184110.db2.gz ITAAIWBZMRCFRF-GOSISDBHSA-N 2 1 272.436 3.727 20 0 CHADMP CC[C@@H](c1ccccc1)[N@H+](CC)CCCc1c[nH+]cn1C ZINC000572131463 1127193598 /nfs/dbraw/zinc/19/35/98/1127193598.db2.gz CMGULWCZTHETLX-SFHVURJKSA-N 2 1 285.435 3.826 20 0 CHADMP CC[C@@H](c1ccccc1)[N@@H+](CC)CCCc1c[nH+]cn1C ZINC000572131463 1127193600 /nfs/dbraw/zinc/19/36/00/1127193600.db2.gz CMGULWCZTHETLX-SFHVURJKSA-N 2 1 285.435 3.826 20 0 CHADMP CC(C)C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C(C)C ZINC000572489931 1127201539 /nfs/dbraw/zinc/20/15/39/1127201539.db2.gz JUHCEHRWOYNVDA-QFBILLFUSA-N 2 1 292.511 3.863 20 0 CHADMP CC(C)C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C(C)C ZINC000572489931 1127201541 /nfs/dbraw/zinc/20/15/41/1127201541.db2.gz JUHCEHRWOYNVDA-QFBILLFUSA-N 2 1 292.511 3.863 20 0 CHADMP CC(C)C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C(C)C ZINC000572489931 1127201544 /nfs/dbraw/zinc/20/15/44/1127201544.db2.gz JUHCEHRWOYNVDA-QFBILLFUSA-N 2 1 292.511 3.863 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccoc1 ZINC000760714543 1127206093 /nfs/dbraw/zinc/20/60/93/1127206093.db2.gz ZQDZUFHQRDCVFB-MNZLEMJZSA-N 2 1 298.430 3.526 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccoc1 ZINC000760714543 1127206094 /nfs/dbraw/zinc/20/60/94/1127206094.db2.gz ZQDZUFHQRDCVFB-MNZLEMJZSA-N 2 1 298.430 3.526 20 0 CHADMP CCc1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000589836227 1127236354 /nfs/dbraw/zinc/23/63/54/1127236354.db2.gz JZMYBUZAFQAECE-KRWDZBQOSA-N 2 1 288.479 3.993 20 0 CHADMP CN(Cc1ccc(F)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285660484 1127240037 /nfs/dbraw/zinc/24/00/37/1127240037.db2.gz ZBXKBIMWRDFFED-PBWFPOADSA-N 2 1 296.817 3.536 20 0 CHADMP C[N@H+](Cc1ccc(F)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285660484 1127240039 /nfs/dbraw/zinc/24/00/39/1127240039.db2.gz ZBXKBIMWRDFFED-PBWFPOADSA-N 2 1 296.817 3.536 20 0 CHADMP C[N@@H+](Cc1ccc(F)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285660484 1127240043 /nfs/dbraw/zinc/24/00/43/1127240043.db2.gz ZBXKBIMWRDFFED-PBWFPOADSA-N 2 1 296.817 3.536 20 0 CHADMP C[NH+](Cc1ccc(F)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285660484 1127240044 /nfs/dbraw/zinc/24/00/44/1127240044.db2.gz ZBXKBIMWRDFFED-PBWFPOADSA-N 2 1 296.817 3.536 20 0 CHADMP C[NH+](Cc1ccc(F)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285660484 1127240047 /nfs/dbraw/zinc/24/00/47/1127240047.db2.gz ZBXKBIMWRDFFED-PBWFPOADSA-N 2 1 296.817 3.536 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC000287320212 1127300705 /nfs/dbraw/zinc/30/07/05/1127300705.db2.gz LSBYBJFYDWXZHV-AOIWGVFYSA-N 2 1 284.447 3.589 20 0 CHADMP C[C@@H](CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccccc1 ZINC000289241297 1127378395 /nfs/dbraw/zinc/37/83/95/1127378395.db2.gz DTAMFVOEEDMOQV-UBLGTCEWSA-N 2 1 286.463 3.737 20 0 CHADMP C[C@@H](CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000289241297 1127378400 /nfs/dbraw/zinc/37/84/00/1127378400.db2.gz DTAMFVOEEDMOQV-UBLGTCEWSA-N 2 1 286.463 3.737 20 0 CHADMP C[C@@H](CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000289241297 1127378402 /nfs/dbraw/zinc/37/84/02/1127378402.db2.gz DTAMFVOEEDMOQV-UBLGTCEWSA-N 2 1 286.463 3.737 20 0 CHADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358517961 1127425149 /nfs/dbraw/zinc/42/51/49/1127425149.db2.gz QOUMHVLGCYLKIY-LBPRGKRZSA-N 2 1 296.817 3.616 20 0 CHADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C)c1 ZINC000295845827 1129219597 /nfs/dbraw/zinc/21/95/97/1129219597.db2.gz ATPOCOQFUXODEK-HQSKLWIPSA-N 2 1 272.436 3.661 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1(C)CC1 ZINC000358989448 1127442893 /nfs/dbraw/zinc/44/28/93/1127442893.db2.gz RQZHIQTZTIECGH-SJLPKXTDSA-N 2 1 286.463 3.677 20 0 CHADMP CCN1CCC([N@@H+](C)Cc2ccc(C(F)F)cc2)CC1 ZINC000359608147 1127469255 /nfs/dbraw/zinc/46/92/55/1127469255.db2.gz DLXZXVMNQIGFQE-UHFFFAOYSA-N 2 1 282.378 3.540 20 0 CHADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(C(F)F)cc2)CC1 ZINC000359608147 1127469258 /nfs/dbraw/zinc/46/92/58/1127469258.db2.gz DLXZXVMNQIGFQE-UHFFFAOYSA-N 2 1 282.378 3.540 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C(F)F)cc2)CC1 ZINC000359608147 1127469259 /nfs/dbraw/zinc/46/92/59/1127469259.db2.gz DLXZXVMNQIGFQE-UHFFFAOYSA-N 2 1 282.378 3.540 20 0 CHADMP CCC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccc(OC)cc1 ZINC000359634786 1127470967 /nfs/dbraw/zinc/47/09/67/1127470967.db2.gz NCGFVIUNYKZBEF-SFHVURJKSA-N 2 1 292.467 3.856 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H](C)c3ccccc32)C1 ZINC000360235270 1127493146 /nfs/dbraw/zinc/49/31/46/1127493146.db2.gz TXDYPMKRGJCQSE-FCEWJHQRSA-N 2 1 286.463 3.947 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1cc(F)ccc1F ZINC000360426200 1127499107 /nfs/dbraw/zinc/49/91/07/1127499107.db2.gz FOZIBDFLSDSUEH-CXAGYDPISA-N 2 1 296.405 3.737 20 0 CHADMP C/C(=C\c1ccccc1)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293732953 1127516561 /nfs/dbraw/zinc/51/65/61/1127516561.db2.gz VAXZUTHJGSCJAO-UMEYKSNOSA-N 2 1 284.447 3.508 20 0 CHADMP C/C(=C\c1ccccc1)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293732953 1127516563 /nfs/dbraw/zinc/51/65/63/1127516563.db2.gz VAXZUTHJGSCJAO-UMEYKSNOSA-N 2 1 284.447 3.508 20 0 CHADMP C/C(=C\c1ccccc1)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293732953 1127516565 /nfs/dbraw/zinc/51/65/65/1127516565.db2.gz VAXZUTHJGSCJAO-UMEYKSNOSA-N 2 1 284.447 3.508 20 0 CHADMP CC(C)[N@@H+](C)CC1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000601505418 1127529705 /nfs/dbraw/zinc/52/97/05/1127529705.db2.gz MKAIVLPNYVSUQA-UHFFFAOYSA-N 2 1 297.446 3.791 20 0 CHADMP CN(CC[C@H]1CCCC[N@H+]1C)c1cc[nH+]c2ccccc21 ZINC000361299217 1127554544 /nfs/dbraw/zinc/55/45/44/1127554544.db2.gz LZCZRSIQFPEGIW-OAHLLOKOSA-N 2 1 283.419 3.545 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CCC2(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000361436579 1127563189 /nfs/dbraw/zinc/56/31/89/1127563189.db2.gz YJKITJLPPRDAPM-AEFFLSMTSA-N 2 1 286.463 3.819 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CCC2(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000361436579 1127563191 /nfs/dbraw/zinc/56/31/91/1127563191.db2.gz YJKITJLPPRDAPM-AEFFLSMTSA-N 2 1 286.463 3.819 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CCC2(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000361436581 1127563287 /nfs/dbraw/zinc/56/32/87/1127563287.db2.gz YJKITJLPPRDAPM-SJLPKXTDSA-N 2 1 286.463 3.819 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CCC2(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000361436581 1127563289 /nfs/dbraw/zinc/56/32/89/1127563289.db2.gz YJKITJLPPRDAPM-SJLPKXTDSA-N 2 1 286.463 3.819 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(C2CC2)c1 ZINC000294564011 1127582956 /nfs/dbraw/zinc/58/29/56/1127582956.db2.gz BNRKQKMMCICLMK-SUNYJGFJSA-N 2 1 272.436 3.697 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(C2CC2)c1 ZINC000294564011 1127582960 /nfs/dbraw/zinc/58/29/60/1127582960.db2.gz BNRKQKMMCICLMK-SUNYJGFJSA-N 2 1 272.436 3.697 20 0 CHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+](C)CC2CCCCC2)c1 ZINC001232146194 1127623138 /nfs/dbraw/zinc/62/31/38/1127623138.db2.gz LBOPUCDWGUFIPJ-UHFFFAOYSA-N 2 1 292.442 3.899 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(C)(F)F ZINC000295781273 1127652790 /nfs/dbraw/zinc/65/27/90/1127652790.db2.gz QSUTZEOMKKWUQN-GDBMZVCRSA-N 2 1 296.405 3.532 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(C)(F)F ZINC000295781274 1127652894 /nfs/dbraw/zinc/65/28/94/1127652894.db2.gz QSUTZEOMKKWUQN-GOEBONIOSA-N 2 1 296.405 3.532 20 0 CHADMP CC[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1ccsc1 ZINC000295814310 1127653208 /nfs/dbraw/zinc/65/32/08/1127653208.db2.gz CWYAVAKLZZOBPC-INIZCTEOSA-N 2 1 280.481 3.909 20 0 CHADMP CC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccsc1 ZINC000295950180 1127657879 /nfs/dbraw/zinc/65/78/79/1127657879.db2.gz LLKGUISWSJYLTA-INIZCTEOSA-N 2 1 278.465 3.663 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000062014489 1127731212 /nfs/dbraw/zinc/73/12/12/1127731212.db2.gz LMYSFUCRDQYIPX-KBPBESRZSA-N 2 1 280.843 3.723 20 0 CHADMP CC[C@H]1CCC[NH+](CC(C)C[N@@H+]2CCC[C@H](CC)C2)C1 ZINC000605573891 1127742768 /nfs/dbraw/zinc/74/27/68/1127742768.db2.gz FOBPZEXBKXDNFB-ROUUACIJSA-N 2 1 280.500 3.867 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000372311771 1127794940 /nfs/dbraw/zinc/79/49/40/1127794940.db2.gz OBMRSPDVQZNYAJ-SFHVURJKSA-N 2 1 283.419 3.727 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000372311771 1127794944 /nfs/dbraw/zinc/79/49/44/1127794944.db2.gz OBMRSPDVQZNYAJ-SFHVURJKSA-N 2 1 283.419 3.727 20 0 CHADMP C[C@@H]1CCC[NH+](C/C=C/C[N@@H+]2CCC[C@H](C)[C@@H]2C)[C@H]1C ZINC000607740359 1127822073 /nfs/dbraw/zinc/82/20/73/1127822073.db2.gz NGCWKCNMOFGQLQ-WTZILVGLSA-N 2 1 278.484 3.783 20 0 CHADMP C[C@@H]1CCC[N@@H+](C/C=C/C[NH+]2CCC[C@H](C)[C@@H]2C)[C@H]1C ZINC000607740359 1127822077 /nfs/dbraw/zinc/82/20/77/1127822077.db2.gz NGCWKCNMOFGQLQ-WTZILVGLSA-N 2 1 278.484 3.783 20 0 CHADMP C[C@@H]1CCC[N@H+](C/C=C/C[NH+]2CCC[C@H](C)[C@@H]2C)[C@H]1C ZINC000607740359 1127822081 /nfs/dbraw/zinc/82/20/81/1127822081.db2.gz NGCWKCNMOFGQLQ-WTZILVGLSA-N 2 1 278.484 3.783 20 0 CHADMP C[C@@H]1CCC[NH+](C/C=C\C[N@@H+]2CCC[C@H](C)[C@@H]2C)[C@H]1C ZINC000607740357 1127822659 /nfs/dbraw/zinc/82/26/59/1127822659.db2.gz NGCWKCNMOFGQLQ-NTWRGEQPSA-N 2 1 278.484 3.783 20 0 CHADMP C[C@@H]1CCC[N@@H+](C/C=C\C[NH+]2CCC[C@H](C)[C@@H]2C)[C@H]1C ZINC000607740357 1127822664 /nfs/dbraw/zinc/82/26/64/1127822664.db2.gz NGCWKCNMOFGQLQ-NTWRGEQPSA-N 2 1 278.484 3.783 20 0 CHADMP C[C@@H]1CCC[N@H+](C/C=C\C[NH+]2CCC[C@H](C)[C@@H]2C)[C@H]1C ZINC000607740357 1127822670 /nfs/dbraw/zinc/82/26/70/1127822670.db2.gz NGCWKCNMOFGQLQ-NTWRGEQPSA-N 2 1 278.484 3.783 20 0 CHADMP c1cc(C[N@H+]2CCC23CCC3)cc(C[NH+]2CCCCC2)c1 ZINC000411307740 1127854757 /nfs/dbraw/zinc/85/47/57/1127854757.db2.gz HVMRQSCUSIOPDI-UHFFFAOYSA-N 2 1 284.447 3.801 20 0 CHADMP C[C@H]([NH2+]C/C=C\c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411520244 1127864198 /nfs/dbraw/zinc/86/41/98/1127864198.db2.gz VCMVFYMPGZATAM-QLYKWOCFSA-N 2 1 298.474 3.942 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc2ccccc2c1 ZINC000501533853 1127903690 /nfs/dbraw/zinc/90/36/90/1127903690.db2.gz RHZWEVSRTKNBOO-UHFFFAOYSA-N 2 1 270.420 3.613 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000535291876 1127912318 /nfs/dbraw/zinc/91/23/18/1127912318.db2.gz FYIFMSOZIYCSOL-HIFRSBDPSA-N 2 1 280.843 3.529 20 0 CHADMP CC[C@H](C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1)c1ccccc1 ZINC000539836828 1127946158 /nfs/dbraw/zinc/94/61/58/1127946158.db2.gz INUKJTZWUVMHEM-LMMKCTJWSA-N 2 1 288.479 3.985 20 0 CHADMP CC[C@H](C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1)c1ccccc1 ZINC000539836828 1127946159 /nfs/dbraw/zinc/94/61/59/1127946159.db2.gz INUKJTZWUVMHEM-LMMKCTJWSA-N 2 1 288.479 3.985 20 0 CHADMP CC[C@H](C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1)c1ccccc1 ZINC000539836828 1127946161 /nfs/dbraw/zinc/94/61/61/1127946161.db2.gz INUKJTZWUVMHEM-LMMKCTJWSA-N 2 1 288.479 3.985 20 0 CHADMP CCc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000539895811 1127952205 /nfs/dbraw/zinc/95/22/05/1127952205.db2.gz XNLIIBRCDHBQDC-AZUAARDMSA-N 2 1 298.474 3.698 20 0 CHADMP CCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000539895811 1127952207 /nfs/dbraw/zinc/95/22/07/1127952207.db2.gz XNLIIBRCDHBQDC-AZUAARDMSA-N 2 1 298.474 3.698 20 0 CHADMP CCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000539895811 1127952212 /nfs/dbraw/zinc/95/22/12/1127952212.db2.gz XNLIIBRCDHBQDC-AZUAARDMSA-N 2 1 298.474 3.698 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+][C@@H](C2CCC2)C2CCCC2)CC1(C)C ZINC000623557395 1127958269 /nfs/dbraw/zinc/95/82/69/1127958269.db2.gz VSIWFWHQVAHXAC-IAGOWNOFSA-N 2 1 278.484 3.808 20 0 CHADMP CCC(C)(C)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000540153088 1127964641 /nfs/dbraw/zinc/96/46/41/1127964641.db2.gz DTVBQEIJHIQFOQ-YJBOKZPZSA-N 2 1 288.479 3.804 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2csc3ccccc23)[C@H](C)C1 ZINC000540195231 1127968884 /nfs/dbraw/zinc/96/88/84/1127968884.db2.gz OXNLTJCMIXMZAY-CJNGLKHVSA-N 2 1 288.460 3.721 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(c2ccccc2)CCCC1 ZINC000540385887 1127976704 /nfs/dbraw/zinc/97/67/04/1127976704.db2.gz KMZPGBOKHCIZKB-QGZVFWFLSA-N 2 1 272.436 3.530 20 0 CHADMP CC[N@H+]1CC[C@@H](CN[C@H](c2ccc(C)o2)C2CCCC2)C1 ZINC000540475303 1127979939 /nfs/dbraw/zinc/97/99/39/1127979939.db2.gz MLAVUTAKUITNTG-YJBOKZPZSA-N 2 1 290.451 3.751 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(C)o2)C2CCCC2)C1 ZINC000540475303 1127979943 /nfs/dbraw/zinc/97/99/43/1127979943.db2.gz MLAVUTAKUITNTG-YJBOKZPZSA-N 2 1 290.451 3.751 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2cccc3nccn32)[C@H]2CCCC[C@@H]12 ZINC000540507850 1127981903 /nfs/dbraw/zinc/98/19/03/1127981903.db2.gz PXRMFPNCHVUZSR-PVAVHDDUSA-N 2 1 283.419 3.735 20 0 CHADMP C[C@@H]1CCN(Cc2cccc3nccn32)[C@H]2CCCC[C@@H]12 ZINC000540507850 1127981906 /nfs/dbraw/zinc/98/19/06/1127981906.db2.gz PXRMFPNCHVUZSR-PVAVHDDUSA-N 2 1 283.419 3.735 20 0 CHADMP C[C@@H](CCC1CCCCC1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000540608546 1127986135 /nfs/dbraw/zinc/98/61/35/1127986135.db2.gz SWXQIBOQRKTXCK-HNNXBMFYSA-N 2 1 264.457 3.587 20 0 CHADMP CC(C)[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000300323172 1127998338 /nfs/dbraw/zinc/99/83/38/1127998338.db2.gz QJMDFFTXVFWRRK-DUQJVZAFSA-N 2 1 278.484 3.806 20 0 CHADMP CC(C)[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000300323172 1127998340 /nfs/dbraw/zinc/99/83/40/1127998340.db2.gz QJMDFFTXVFWRRK-DUQJVZAFSA-N 2 1 278.484 3.806 20 0 CHADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000300323174 1127998714 /nfs/dbraw/zinc/99/87/14/1127998714.db2.gz QJMDFFTXVFWRRK-VUCRHFMTSA-N 2 1 278.484 3.806 20 0 CHADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000300323174 1127998717 /nfs/dbraw/zinc/99/87/17/1127998717.db2.gz QJMDFFTXVFWRRK-VUCRHFMTSA-N 2 1 278.484 3.806 20 0 CHADMP C[NH+](C)C[C@H]1CC[N@@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC000541556121 1128028312 /nfs/dbraw/zinc/02/83/12/1128028312.db2.gz CSYFWWNMXLHFII-AQFXKWCLSA-N 2 1 280.500 3.722 20 0 CHADMP C[C@H](CCC1CC1)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000469777953 1128053933 /nfs/dbraw/zinc/05/39/33/1128053933.db2.gz ZMIJKKCLDCJTRR-HZPDHXFCSA-N 2 1 266.473 3.809 20 0 CHADMP Cc1ccccc1-c1cccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000469865496 1128057001 /nfs/dbraw/zinc/05/70/01/1128057001.db2.gz JOYWWZMZERLZGZ-VQIMIIECSA-N 2 1 294.442 3.831 20 0 CHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3C)c2)C1 ZINC000469995154 1128061524 /nfs/dbraw/zinc/06/15/24/1128061524.db2.gz WSZBGWZWNIDPHE-GOSISDBHSA-N 2 1 294.442 3.703 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H]2C2CCCCC2)CC1 ZINC001257221756 1128074428 /nfs/dbraw/zinc/07/44/28/1128074428.db2.gz GNNTVDDIQUCNKP-GOSISDBHSA-N 2 1 278.484 3.904 20 0 CHADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H]2C2CCCCC2)CC1 ZINC001257221756 1128074431 /nfs/dbraw/zinc/07/44/31/1128074431.db2.gz GNNTVDDIQUCNKP-GOSISDBHSA-N 2 1 278.484 3.904 20 0 CHADMP Cc1ccc([C@@H]2CC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)c(C)c1 ZINC000471019716 1128085615 /nfs/dbraw/zinc/08/56/15/1128085615.db2.gz QPLXAIJCKQFEJJ-QZTJIDSGSA-N 2 1 286.463 3.577 20 0 CHADMP Cc1ccc([C@@H]2CC[N@H+](CC[C@H]3CCC[NH+]3C)C2)c(C)c1 ZINC000471019716 1128085619 /nfs/dbraw/zinc/08/56/19/1128085619.db2.gz QPLXAIJCKQFEJJ-QZTJIDSGSA-N 2 1 286.463 3.577 20 0 CHADMP CCC(CC)c1cc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)on1 ZINC000925514468 1128130539 /nfs/dbraw/zinc/13/05/39/1128130539.db2.gz FOSTZGBGWBYCLM-KBPBESRZSA-N 2 1 293.455 3.574 20 0 CHADMP c1ccc([C@@H]2C[C@@H]([NH2+]C3(C4CC4)CC3)CC[N@H+]2C2CC2)cc1 ZINC000925895812 1128145359 /nfs/dbraw/zinc/14/53/59/1128145359.db2.gz CQNHNUIRJKKRKC-HKUYNNGSSA-N 2 1 296.458 3.887 20 0 CHADMP c1ccc([C@@H]2C[C@@H]([NH2+]C3(C4CC4)CC3)CC[N@@H+]2C2CC2)cc1 ZINC000925895812 1128145360 /nfs/dbraw/zinc/14/53/60/1128145360.db2.gz CQNHNUIRJKKRKC-HKUYNNGSSA-N 2 1 296.458 3.887 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1coc2ccccc12 ZINC000926541128 1128179955 /nfs/dbraw/zinc/17/99/55/1128179955.db2.gz KXAKZBUBCRSZTC-AVOUXACISA-N 2 1 284.403 3.709 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc2ccccc2[nH]1 ZINC000926557731 1128180922 /nfs/dbraw/zinc/18/09/22/1128180922.db2.gz DMLUGMIOIQUFDL-CQSZACIVSA-N 2 1 285.435 3.693 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CCC(C)CC2)C[C@H]1C ZINC000542507362 1128198717 /nfs/dbraw/zinc/19/87/17/1128198717.db2.gz VTJSOCSLBOWROM-MNAZLIDISA-N 2 1 266.473 3.617 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CCC(C)CC2)C[C@H]1C ZINC000542507362 1128198719 /nfs/dbraw/zinc/19/87/19/1128198719.db2.gz VTJSOCSLBOWROM-MNAZLIDISA-N 2 1 266.473 3.617 20 0 CHADMP CCCC(CCC)[NH2+][C@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001257332980 1128245603 /nfs/dbraw/zinc/24/56/03/1128245603.db2.gz BYKLVUFRAQYTIM-ZBFHGGJFSA-N 2 1 254.462 3.664 20 0 CHADMP CCCC1CCC(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)CC1 ZINC000495108012 1128232665 /nfs/dbraw/zinc/23/26/65/1128232665.db2.gz KIPMINBDLMYIRF-ZGUYJTEBSA-N 2 1 278.484 3.619 20 0 CHADMP CCCC1CCC(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)CC1 ZINC000495108012 1128232669 /nfs/dbraw/zinc/23/26/69/1128232669.db2.gz KIPMINBDLMYIRF-ZGUYJTEBSA-N 2 1 278.484 3.619 20 0 CHADMP CCCC1CCC(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000495108012 1128232673 /nfs/dbraw/zinc/23/26/73/1128232673.db2.gz KIPMINBDLMYIRF-ZGUYJTEBSA-N 2 1 278.484 3.619 20 0 CHADMP CCCC1CCC(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000495108012 1128232677 /nfs/dbraw/zinc/23/26/77/1128232677.db2.gz KIPMINBDLMYIRF-ZGUYJTEBSA-N 2 1 278.484 3.619 20 0 CHADMP CCC[C@H](C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21)c1ccccc1 ZINC000495127077 1128235234 /nfs/dbraw/zinc/23/52/34/1128235234.db2.gz KPWUJNBDLWYHLV-GUDVDZBRSA-N 2 1 286.463 3.596 20 0 CHADMP CCC[C@H](C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21)c1ccccc1 ZINC000495127077 1128235235 /nfs/dbraw/zinc/23/52/35/1128235235.db2.gz KPWUJNBDLWYHLV-GUDVDZBRSA-N 2 1 286.463 3.596 20 0 CHADMP CCC[C@H](C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21)c1ccccc1 ZINC000495127077 1128235237 /nfs/dbraw/zinc/23/52/37/1128235237.db2.gz KPWUJNBDLWYHLV-GUDVDZBRSA-N 2 1 286.463 3.596 20 0 CHADMP CCC[C@H](C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21)c1ccccc1 ZINC000495127077 1128235239 /nfs/dbraw/zinc/23/52/39/1128235239.db2.gz KPWUJNBDLWYHLV-GUDVDZBRSA-N 2 1 286.463 3.596 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235174166 1128311743 /nfs/dbraw/zinc/31/17/43/1128311743.db2.gz SJCMMJHHGIEZIN-QZTJIDSGSA-N 2 1 278.484 3.977 20 0 CHADMP CC1(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)CCCCC1 ZINC001235173816 1128312680 /nfs/dbraw/zinc/31/26/80/1128312680.db2.gz RMGJHAYTIYINEO-KRWDZBQOSA-N 2 1 264.457 3.565 20 0 CHADMP CCCC[C@H](CC)[N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257413618 1128335394 /nfs/dbraw/zinc/33/53/94/1128335394.db2.gz FGHPLTDFDCWZRT-JYJNAYRXSA-N 2 1 254.462 3.936 20 0 CHADMP COC(C)(C)CCC[C@H](C)CC[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235433670 1128330692 /nfs/dbraw/zinc/33/06/92/1128330692.db2.gz UYQGFITZBJZGQI-INIZCTEOSA-N 2 1 298.515 3.539 20 0 CHADMP CCc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)s1 ZINC001649175653 1128330935 /nfs/dbraw/zinc/33/09/35/1128330935.db2.gz NLFIGABBFZBRBV-CQSZACIVSA-N 2 1 280.481 3.521 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC000322637092 1128347814 /nfs/dbraw/zinc/34/78/14/1128347814.db2.gz XCSUUDAWFMVVFT-MIGBEJBISA-N 2 1 272.436 3.579 20 0 CHADMP Cc1ccc(C)c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000037103446 1128413868 /nfs/dbraw/zinc/41/38/68/1128413868.db2.gz KHZXEXSNKYPFTO-MGNMYUMUSA-N 2 1 272.436 3.579 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931351481 1128357274 /nfs/dbraw/zinc/35/72/74/1128357274.db2.gz OQPDHHAMKHHLOP-MRXNPFEDSA-N 2 1 278.415 3.693 20 0 CHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000562040240 1128373364 /nfs/dbraw/zinc/37/33/64/1128373364.db2.gz WSSMLNZFKNOXCZ-UIAACRFSSA-N 2 1 298.474 3.990 20 0 CHADMP C[C@@H](C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C(C)(C)C ZINC000670266667 1128378072 /nfs/dbraw/zinc/37/80/72/1128378072.db2.gz QTUXBQIHKUMIPW-HOTGVXAUSA-N 2 1 268.489 3.913 20 0 CHADMP CCCc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000037140939 1128418431 /nfs/dbraw/zinc/41/84/31/1128418431.db2.gz XGSLHKULZNEQSP-OAHLLOKOSA-N 2 1 286.463 3.917 20 0 CHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(C)(C)C1 ZINC000398170046 1128393909 /nfs/dbraw/zinc/39/39/09/1128393909.db2.gz ULIDTNPZZUGKDV-YJBOKZPZSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(C)(C)C1 ZINC000398170046 1128393911 /nfs/dbraw/zinc/39/39/11/1128393911.db2.gz ULIDTNPZZUGKDV-YJBOKZPZSA-N 2 1 286.463 3.675 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H]2CCCC(C)(C)C2)CC1 ZINC000562417907 1128401050 /nfs/dbraw/zinc/40/10/50/1128401050.db2.gz SXALCOLOPQEAPK-JKSUJKDBSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000932276909 1128402882 /nfs/dbraw/zinc/40/28/82/1128402882.db2.gz XXQRGSUXTKGHLR-QFBILLFUSA-N 2 1 297.446 3.621 20 0 CHADMP C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000932276909 1128402884 /nfs/dbraw/zinc/40/28/84/1128402884.db2.gz XXQRGSUXTKGHLR-QFBILLFUSA-N 2 1 297.446 3.621 20 0 CHADMP C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000932276908 1128403382 /nfs/dbraw/zinc/40/33/82/1128403382.db2.gz XXQRGSUXTKGHLR-LPHOPBHVSA-N 2 1 297.446 3.621 20 0 CHADMP C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000932276908 1128403385 /nfs/dbraw/zinc/40/33/85/1128403385.db2.gz XXQRGSUXTKGHLR-LPHOPBHVSA-N 2 1 297.446 3.621 20 0 CHADMP C[NH+]1CCC2(CCC[N@@H+](C/C=C\c3ccccc3)C2)CC1 ZINC000798956900 1128423323 /nfs/dbraw/zinc/42/33/23/1128423323.db2.gz HHEOMIWAPOWCOT-UITAMQMPSA-N 2 1 284.447 3.508 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc3ccccc3c2)C1 ZINC000037644043 1128433831 /nfs/dbraw/zinc/43/38/31/1128433831.db2.gz UIGCVVUXCZETGX-JKSUJKDBSA-N 2 1 282.431 3.832 20 0 CHADMP C[C@H](CC[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000562943497 1128442035 /nfs/dbraw/zinc/44/20/35/1128442035.db2.gz ZKEALHAACDBORO-AEFFLSMTSA-N 2 1 286.463 3.787 20 0 CHADMP C[C@H](CC[NH2+][C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000562943497 1128442037 /nfs/dbraw/zinc/44/20/37/1128442037.db2.gz ZKEALHAACDBORO-AEFFLSMTSA-N 2 1 286.463 3.787 20 0 CHADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCC[NH+]1CCCCC1 ZINC000125222070 1128448405 /nfs/dbraw/zinc/44/84/05/1128448405.db2.gz RKTDNHKLLDEOKO-IKGGRYGDSA-N 2 1 264.457 3.515 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CC2(c3ccccc3)CCCC2)CC[N@H+]1C ZINC000125920436 1128456391 /nfs/dbraw/zinc/45/63/91/1128456391.db2.gz KGLVBMUKJJGZHE-FUHWJXTLSA-N 2 1 286.463 3.571 20 0 CHADMP CC[N@H+](CCCn1cc[nH+]c1C)[C@H](C)c1ccc(F)cc1 ZINC000127313554 1128475739 /nfs/dbraw/zinc/47/57/39/1128475739.db2.gz NDBPEESLSGHZEF-CQSZACIVSA-N 2 1 289.398 3.804 20 0 CHADMP CC[N@@H+](CCCn1cc[nH+]c1C)[C@H](C)c1ccc(F)cc1 ZINC000127313554 1128475741 /nfs/dbraw/zinc/47/57/41/1128475741.db2.gz NDBPEESLSGHZEF-CQSZACIVSA-N 2 1 289.398 3.804 20 0 CHADMP CC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000128075144 1128486221 /nfs/dbraw/zinc/48/62/21/1128486221.db2.gz ACITXVRDGWEADH-MJGOQNOKSA-N 2 1 286.463 3.819 20 0 CHADMP CCC[C@@H](C)CC[C@@H](C)N1CCn2c(cnc2C)C1 ZINC001257478012 1128489262 /nfs/dbraw/zinc/48/92/62/1128489262.db2.gz PYRVLPVFAQDPHZ-ZIAGYGMSSA-N 2 1 263.429 3.612 20 0 CHADMP CC1=CC[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000556232929 1128565464 /nfs/dbraw/zinc/56/54/64/1128565464.db2.gz JOXBPHHCTJIPPD-LJQANCHMSA-N 2 1 284.447 3.523 20 0 CHADMP CC1=CC[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000556232929 1128565466 /nfs/dbraw/zinc/56/54/66/1128565466.db2.gz JOXBPHHCTJIPPD-LJQANCHMSA-N 2 1 284.447 3.523 20 0 CHADMP CC(C)C1([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000556234415 1128566642 /nfs/dbraw/zinc/56/66/42/1128566642.db2.gz XFTSLKLWWYRKDW-SJORKVTESA-N 2 1 272.436 3.600 20 0 CHADMP CC(C)C1([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000556234415 1128566645 /nfs/dbraw/zinc/56/66/45/1128566645.db2.gz XFTSLKLWWYRKDW-SJORKVTESA-N 2 1 272.436 3.600 20 0 CHADMP CCCc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000130177193 1128569984 /nfs/dbraw/zinc/56/99/84/1128569984.db2.gz ZMQJQUDRPXGRNY-ZYSHUDEJSA-N 2 1 286.463 3.917 20 0 CHADMP Clc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130230987 1128573979 /nfs/dbraw/zinc/57/39/79/1128573979.db2.gz AECZTRLHCMCOFI-ZMSDIMECSA-N 2 1 290.838 3.544 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000568116763 1128578104 /nfs/dbraw/zinc/57/81/04/1128578104.db2.gz MEAJEBGXXDKACC-VMUDFCTBSA-N 2 1 292.854 3.516 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000568116763 1128578108 /nfs/dbraw/zinc/57/81/08/1128578108.db2.gz MEAJEBGXXDKACC-VMUDFCTBSA-N 2 1 292.854 3.516 20 0 CHADMP CC(C)[NH+]1CCC([NH2+]C2(c3ccc(Cl)cc3)CC2)CC1 ZINC000568923749 1128594334 /nfs/dbraw/zinc/59/43/34/1128594334.db2.gz LBQJUUBAGWKREV-UHFFFAOYSA-N 2 1 292.854 3.792 20 0 CHADMP CC1(C)CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000556583531 1128606356 /nfs/dbraw/zinc/60/63/56/1128606356.db2.gz IUYQHIFPJGUIIR-HOCLYGCPSA-N 2 1 292.492 3.738 20 0 CHADMP CC1(C)CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000556583531 1128606361 /nfs/dbraw/zinc/60/63/61/1128606361.db2.gz IUYQHIFPJGUIIR-HOCLYGCPSA-N 2 1 292.492 3.738 20 0 CHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000131438748 1128619747 /nfs/dbraw/zinc/61/97/47/1128619747.db2.gz SORNENSBAMSNSA-UHFFFAOYSA-N 2 1 286.463 3.773 20 0 CHADMP Cc1c(C)c(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])ccc1Cl ZINC001236219911 1128623539 /nfs/dbraw/zinc/62/35/39/1128623539.db2.gz YGYKPQGXVJSDDC-JKSUJKDBSA-N 2 1 280.843 3.659 20 0 CHADMP Cc1c(C)c(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])ccc1Cl ZINC001236219911 1128623542 /nfs/dbraw/zinc/62/35/42/1128623542.db2.gz YGYKPQGXVJSDDC-JKSUJKDBSA-N 2 1 280.843 3.659 20 0 CHADMP Cc1ccc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000572019758 1128640600 /nfs/dbraw/zinc/64/06/00/1128640600.db2.gz PNVBJWCYCOORSJ-LULLPPNCSA-N 2 1 286.463 3.561 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)c2sccc21 ZINC000572713347 1128647156 /nfs/dbraw/zinc/64/71/56/1128647156.db2.gz QYIIAYRLHIDOBJ-IPYPFGDCSA-N 2 1 278.465 3.618 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)c2sccc21 ZINC000572713347 1128647157 /nfs/dbraw/zinc/64/71/57/1128647157.db2.gz QYIIAYRLHIDOBJ-IPYPFGDCSA-N 2 1 278.465 3.618 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000073656713 1128646461 /nfs/dbraw/zinc/64/64/61/1128646461.db2.gz IXDNIBGGPCJLNV-XLIONFOSSA-N 2 1 294.442 3.829 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000073656713 1128646464 /nfs/dbraw/zinc/64/64/64/1128646464.db2.gz IXDNIBGGPCJLNV-XLIONFOSSA-N 2 1 294.442 3.829 20 0 CHADMP Cc1cccc([C@H]2CCC[N@H+]2CCCc2c[nH+]cn2C)c1C ZINC000573455337 1128654402 /nfs/dbraw/zinc/65/44/02/1128654402.db2.gz JVIBUHYKVUDFKS-LJQANCHMSA-N 2 1 297.446 3.807 20 0 CHADMP Cc1cccc([C@H]2CCC[N@@H+]2CCCc2c[nH+]cn2C)c1C ZINC000573455337 1128654406 /nfs/dbraw/zinc/65/44/06/1128654406.db2.gz JVIBUHYKVUDFKS-LJQANCHMSA-N 2 1 297.446 3.807 20 0 CHADMP CC(C)OC1CCC([NH2+]CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001257871788 1128659665 /nfs/dbraw/zinc/65/96/65/1128659665.db2.gz GDMPNAYSFHRPMV-WWDZGPRUSA-N 2 1 296.499 3.577 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C/C=C/c1ccccc1 ZINC000578264239 1128713131 /nfs/dbraw/zinc/71/31/31/1128713131.db2.gz NXGSYZSKNIVLCJ-YRNVUSSQSA-N 2 1 297.446 3.871 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C/C=C/c1ccccc1 ZINC000578264239 1128713134 /nfs/dbraw/zinc/71/31/34/1128713134.db2.gz NXGSYZSKNIVLCJ-YRNVUSSQSA-N 2 1 297.446 3.871 20 0 CHADMP Cc1cc(NCCC[N@H+]2CCCC[C@@H]2C)nc(C(C)C)n1 ZINC000035121582 1117779239 /nfs/dbraw/zinc/77/92/39/1117779239.db2.gz UHDHPZCLRTXFPK-HNNXBMFYSA-N 2 1 290.455 3.585 20 0 CHADMP CCN1CCC([NH2+][C@H](C)c2cc3ccccc3o2)CC1 ZINC000035011414 1117790154 /nfs/dbraw/zinc/79/01/54/1117790154.db2.gz AAQTWYVERMHHFR-CYBMUJFWSA-N 2 1 272.392 3.568 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(F)ccc1F ZINC000643546703 1117792280 /nfs/dbraw/zinc/79/22/80/1117792280.db2.gz SWCUYLSRQZCABH-CZUORRHYSA-N 2 1 294.389 3.680 20 0 CHADMP CCC(C)(C)C1CCC([NH2+][C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396562952 1117804527 /nfs/dbraw/zinc/80/45/27/1117804527.db2.gz UIYNTWQEWVQLFA-PRLABOORSA-N 2 1 266.473 3.712 20 0 CHADMP C[N@H+]1CCC[C@H]2C[NH+](CCCC3CCCCC3)CC[C@H]21 ZINC000579057154 1128737089 /nfs/dbraw/zinc/73/70/89/1128737089.db2.gz RDGZHWITBGMNMO-ZWKOTPCHSA-N 2 1 278.484 3.763 20 0 CHADMP CC(C)CCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623336025 1117832235 /nfs/dbraw/zinc/83/22/35/1117832235.db2.gz RFNOMEBLETUVOT-HUUCEWRRSA-N 2 1 254.462 3.664 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cc3ccccc3s2)CC1(C)C ZINC000623376935 1117845061 /nfs/dbraw/zinc/84/50/61/1117845061.db2.gz IJJCTZIMGUUQNS-CQSZACIVSA-N 2 1 288.460 3.864 20 0 CHADMP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623384666 1117846813 /nfs/dbraw/zinc/84/68/13/1117846813.db2.gz CLARFDOECNKVLE-JKSUJKDBSA-N 2 1 260.425 3.600 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3Cl)CC1(C)C ZINC000623382084 1117847244 /nfs/dbraw/zinc/84/72/44/1117847244.db2.gz XEQQZYSZGOPFOM-BLLLJJGKSA-N 2 1 292.854 3.790 20 0 CHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000623379971 1117847651 /nfs/dbraw/zinc/84/76/51/1117847651.db2.gz NCYQRZRBMNGTDB-GDBMZVCRSA-N 2 1 266.473 3.665 20 0 CHADMP CCCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623398478 1117849520 /nfs/dbraw/zinc/84/95/20/1117849520.db2.gz HIANBRXWPOAQKP-BZUAXINKSA-N 2 1 266.473 3.808 20 0 CHADMP CC(C)CC1(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCC1 ZINC000623445512 1117857889 /nfs/dbraw/zinc/85/78/89/1117857889.db2.gz UFUHZZFBCIPZEW-OAHLLOKOSA-N 2 1 266.473 3.665 20 0 CHADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163393611 1128739346 /nfs/dbraw/zinc/73/93/46/1128739346.db2.gz QUESQWWBKTYQLW-JGGQBBKZSA-N 2 1 280.843 3.708 20 0 CHADMP Cc1cc(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)ccc1Cl ZINC000623529098 1117868071 /nfs/dbraw/zinc/86/80/71/1117868071.db2.gz VEYCBEDYLKEBJD-OAHLLOKOSA-N 2 1 294.870 3.653 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@H](C2CCC2)C2CCCC2)CC1(C)C ZINC000623557396 1117870877 /nfs/dbraw/zinc/87/08/77/1117870877.db2.gz VSIWFWHQVAHXAC-IRXDYDNUSA-N 2 1 278.484 3.808 20 0 CHADMP CCC[NH+]1CCC([NH2+]Cc2ccc(C)cc2SC)CC1 ZINC000119263950 1117879090 /nfs/dbraw/zinc/87/90/90/1117879090.db2.gz YFPUQBIHMKMQEQ-UHFFFAOYSA-N 2 1 292.492 3.681 20 0 CHADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc3ccccc32)C1 ZINC000623654663 1117883774 /nfs/dbraw/zinc/88/37/74/1117883774.db2.gz FPULGHPWLSUZLP-MRXNPFEDSA-N 2 1 282.431 3.661 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cccc2ccccc21 ZINC000177984217 1117884321 /nfs/dbraw/zinc/88/43/21/1117884321.db2.gz HGMOUMIVDNASEP-GUXCAODWSA-N 2 1 296.458 3.701 20 0 CHADMP CC(C)[C@H](C[NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000623656803 1117885498 /nfs/dbraw/zinc/88/54/98/1117885498.db2.gz CELMSXRUZBHTOX-MJGOQNOKSA-N 2 1 288.479 3.748 20 0 CHADMP CCC(F)(F)C(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623697961 1117895559 /nfs/dbraw/zinc/89/55/59/1117895559.db2.gz GBGJYAXRYOHGCU-LBPRGKRZSA-N 2 1 276.415 3.520 20 0 CHADMP CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000579288065 1128743167 /nfs/dbraw/zinc/74/31/67/1128743167.db2.gz IDMDKTJQHXIGKQ-JCHJZTRSSA-N 2 1 286.463 3.675 20 0 CHADMP CCOc1ccccc1[C@@H](CC)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000179755621 1117912848 /nfs/dbraw/zinc/91/28/48/1117912848.db2.gz OBBNMZVGWNVCLZ-DOTOQJQBSA-N 2 1 290.451 3.610 20 0 CHADMP Cc1ccc2[nH]c(C[N@H+](C)[C@@H]3CCN(C)C[C@@H]3C)cc2c1C ZINC000579287472 1128743449 /nfs/dbraw/zinc/74/34/49/1128743449.db2.gz FUUNZAHPJHAQJZ-IFXJQAMLSA-N 2 1 299.462 3.557 20 0 CHADMP Cc1ccc2[nH]c(CN(C)[C@@H]3CC[N@@H+](C)C[C@@H]3C)cc2c1C ZINC000579287472 1128743453 /nfs/dbraw/zinc/74/34/53/1128743453.db2.gz FUUNZAHPJHAQJZ-IFXJQAMLSA-N 2 1 299.462 3.557 20 0 CHADMP Cc1ccc2[nH]c(CN(C)[C@@H]3CC[N@H+](C)C[C@@H]3C)cc2c1C ZINC000579287472 1128743456 /nfs/dbraw/zinc/74/34/56/1128743456.db2.gz FUUNZAHPJHAQJZ-IFXJQAMLSA-N 2 1 299.462 3.557 20 0 CHADMP C[N@@H+](Cc1ccc(-c2ccccc2)cc1)C1CC[NH2+]CC1 ZINC000036301054 1117913106 /nfs/dbraw/zinc/91/31/06/1117913106.db2.gz LWJPAKGZEMRVDR-UHFFFAOYSA-N 2 1 280.415 3.537 20 0 CHADMP Cc1ccc2[nH]c(C[NH+](C)[C@@H]3CC[N@@H+](C)C[C@@H]3C)cc2c1C ZINC000579287472 1128743462 /nfs/dbraw/zinc/74/34/62/1128743462.db2.gz FUUNZAHPJHAQJZ-IFXJQAMLSA-N 2 1 299.462 3.557 20 0 CHADMP Cc1ccc2[nH]c(C[NH+](C)[C@@H]3CC[N@H+](C)C[C@@H]3C)cc2c1C ZINC000579287472 1128743466 /nfs/dbraw/zinc/74/34/66/1128743466.db2.gz FUUNZAHPJHAQJZ-IFXJQAMLSA-N 2 1 299.462 3.557 20 0 CHADMP Cc1ccc2[nH]c(C[N@@H+](C)[C@@H]3CC[NH+](C)C[C@@H]3C)cc2c1C ZINC000579287472 1128743469 /nfs/dbraw/zinc/74/34/69/1128743469.db2.gz FUUNZAHPJHAQJZ-IFXJQAMLSA-N 2 1 299.462 3.557 20 0 CHADMP Cc1ccc2[nH]c(C[N@H+](C)[C@@H]3CC[NH+](C)C[C@@H]3C)cc2c1C ZINC000579287472 1128743471 /nfs/dbraw/zinc/74/34/71/1128743471.db2.gz FUUNZAHPJHAQJZ-IFXJQAMLSA-N 2 1 299.462 3.557 20 0 CHADMP CC[N@H+](C)C[C@H]1CC[NH+](C/C=C/c2ccc(Cl)cc2)C1 ZINC000180042591 1117920805 /nfs/dbraw/zinc/92/08/05/1117920805.db2.gz APIPKGJTLPRKKZ-DWTRPJMMSA-N 2 1 292.854 3.627 20 0 CHADMP CC[N@@H+](C)C[C@H]1CC[NH+](C/C=C/c2ccc(Cl)cc2)C1 ZINC000180042591 1117920808 /nfs/dbraw/zinc/92/08/08/1117920808.db2.gz APIPKGJTLPRKKZ-DWTRPJMMSA-N 2 1 292.854 3.627 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@H+](C/C=C/c2ccc(Cl)cc2)C1 ZINC000180042591 1117920812 /nfs/dbraw/zinc/92/08/12/1117920812.db2.gz APIPKGJTLPRKKZ-DWTRPJMMSA-N 2 1 292.854 3.627 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@@H+](C/C=C/c2ccc(Cl)cc2)C1 ZINC000180042591 1117920817 /nfs/dbraw/zinc/92/08/17/1117920817.db2.gz APIPKGJTLPRKKZ-DWTRPJMMSA-N 2 1 292.854 3.627 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCc1cccc(Cl)c1 ZINC000180463018 1117930850 /nfs/dbraw/zinc/93/08/50/1117930850.db2.gz XOMPWOQPKIGXBJ-JKIFEVAISA-N 2 1 294.870 3.591 20 0 CHADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1cc(C)ccc1C ZINC000623867675 1117945699 /nfs/dbraw/zinc/94/56/99/1117945699.db2.gz HIKIFOLNGOCBRW-GOSISDBHSA-N 2 1 285.435 3.939 20 0 CHADMP CC[C@@H](CCc1ccccc1)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000623886484 1117952059 /nfs/dbraw/zinc/95/20/59/1117952059.db2.gz BITBFBIKFGEVJD-APWZRJJASA-N 2 1 299.462 3.829 20 0 CHADMP C[NH+]1CCC([NH2+][C@H](CC(C)(C)C)c2ccccc2)CC1 ZINC000037128469 1117967590 /nfs/dbraw/zinc/96/75/90/1117967590.db2.gz IPLUZXQPPFJCBG-QGZVFWFLSA-N 2 1 274.452 3.848 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)s1 ZINC000624120314 1117984878 /nfs/dbraw/zinc/98/48/78/1117984878.db2.gz WCKTYCOLSGOBDB-ZIAGYGMSSA-N 2 1 280.481 3.693 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc2c(s1)CCC2 ZINC000624122592 1117984936 /nfs/dbraw/zinc/98/49/36/1117984936.db2.gz WKDLXZQFWUSMBR-UONOGXRCSA-N 2 1 292.492 3.619 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc(F)ccc1F ZINC000624120594 1117985402 /nfs/dbraw/zinc/98/54/02/1117985402.db2.gz CDXOVPMSRGGRFL-DYVFJYSZSA-N 2 1 296.405 3.737 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(F)ccc1F ZINC000624120594 1117985405 /nfs/dbraw/zinc/98/54/05/1117985405.db2.gz CDXOVPMSRGGRFL-DYVFJYSZSA-N 2 1 296.405 3.737 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(C)c1 ZINC000624119550 1117985954 /nfs/dbraw/zinc/98/59/54/1117985954.db2.gz DXJMZTXMBHHISL-IRXDYDNUSA-N 2 1 274.452 3.686 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1csc(Cl)c1 ZINC000624123572 1117987500 /nfs/dbraw/zinc/98/75/00/1117987500.db2.gz OKDFTJBTXZGLSX-NWDGAFQWSA-N 2 1 286.872 3.784 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1csc(Cl)c1 ZINC000624123572 1117987503 /nfs/dbraw/zinc/98/75/03/1117987503.db2.gz OKDFTJBTXZGLSX-NWDGAFQWSA-N 2 1 286.872 3.784 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000380634502 1118002193 /nfs/dbraw/zinc/00/21/93/1118002193.db2.gz JBQICRLVNHJGFC-IAGOWNOFSA-N 2 1 278.484 3.809 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000380634501 1118002443 /nfs/dbraw/zinc/00/24/43/1118002443.db2.gz JBQICRLVNHJGFC-DLBZAZTESA-N 2 1 278.484 3.809 20 0 CHADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(C)cc1 ZINC000181711731 1118005027 /nfs/dbraw/zinc/00/50/27/1118005027.db2.gz FQVKEFSNIPWRGK-DLBZAZTESA-N 2 1 260.425 3.520 20 0 CHADMP CCc1ccc([C@H](CC)[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000037644302 1118033937 /nfs/dbraw/zinc/03/39/37/1118033937.db2.gz OPCSDHWVIFNUBL-WMZOPIPTSA-N 2 1 274.452 3.632 20 0 CHADMP C[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211318542 1118040080 /nfs/dbraw/zinc/04/00/80/1118040080.db2.gz BWYIPLFVYRUHAH-ZDUSSCGKSA-N 2 1 298.455 3.513 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000366219545 1118052853 /nfs/dbraw/zinc/05/28/53/1118052853.db2.gz ASEBSVDIPJDWPT-WMZOPIPTSA-N 2 1 298.430 3.842 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000366219545 1118052859 /nfs/dbraw/zinc/05/28/59/1118052859.db2.gz ASEBSVDIPJDWPT-WMZOPIPTSA-N 2 1 298.430 3.842 20 0 CHADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001209431487 1118053260 /nfs/dbraw/zinc/05/32/60/1118053260.db2.gz OQBKHMNBDZLFJD-YZGWKJHDSA-N 2 1 298.474 3.631 20 0 CHADMP C[C@@H]1C[C@H]1C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001209431487 1118053263 /nfs/dbraw/zinc/05/32/63/1118053263.db2.gz OQBKHMNBDZLFJD-YZGWKJHDSA-N 2 1 298.474 3.631 20 0 CHADMP C[C@@H]1C[C@H]1C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001209431487 1118053266 /nfs/dbraw/zinc/05/32/66/1118053266.db2.gz OQBKHMNBDZLFJD-YZGWKJHDSA-N 2 1 298.474 3.631 20 0 CHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccnc(Cl)c1 ZINC000160272280 1118059028 /nfs/dbraw/zinc/05/90/28/1118059028.db2.gz HUAYSZSNRLNLFH-KGLIPLIRSA-N 2 1 295.858 3.650 20 0 CHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccnc(Cl)c1 ZINC000160272280 1118059034 /nfs/dbraw/zinc/05/90/34/1118059034.db2.gz HUAYSZSNRLNLFH-KGLIPLIRSA-N 2 1 295.858 3.650 20 0 CHADMP C[C@@H]1CCC[N@@H+](Cc2cccc(C(F)F)c2)[C@H]1CC[NH3+] ZINC000404426090 1118064505 /nfs/dbraw/zinc/06/45/05/1118064505.db2.gz LUZWPVGFSLZYDG-DOMZBBRYSA-N 2 1 282.378 3.574 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(C2CC2)c1 ZINC000340175834 1118099637 /nfs/dbraw/zinc/09/96/37/1118099637.db2.gz RCQZHMSSVNEHPQ-HUUCEWRRSA-N 2 1 284.447 3.699 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@@H]2C(C)(C)C)CC[N@H+]1C ZINC000765386625 1118148302 /nfs/dbraw/zinc/14/83/02/1118148302.db2.gz UDHFANXWLWEGRS-VQHPVUNQSA-N 2 1 280.500 3.911 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+]C2CCC(C3CCCCC3)CC2)CC1 ZINC000683470498 1118164795 /nfs/dbraw/zinc/16/47/95/1118164795.db2.gz PUFUHJVHDVEFFY-UHFFFAOYSA-N 2 1 290.495 3.977 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[C@@H](C)F)cc1 ZINC000340465864 1118269644 /nfs/dbraw/zinc/26/96/44/1118269644.db2.gz XWHSZXYPVPQHBV-CHWSQXEVSA-N 2 1 275.371 3.579 20 0 CHADMP CSc1ccccc1[C@@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000282180605 1118277631 /nfs/dbraw/zinc/27/76/31/1118277631.db2.gz VSZYKTKLBAJDQG-CYBMUJFWSA-N 2 1 289.448 3.654 20 0 CHADMP CCOCC[N@@H+](CC[C@@H](C)CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236459970 1128771031 /nfs/dbraw/zinc/77/10/31/1128771031.db2.gz JNFLAXIMXQCXIH-MRXNPFEDSA-N 2 1 298.515 3.539 20 0 CHADMP CCOCC[N@@H+](CC[C@H](C)CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236459968 1128771084 /nfs/dbraw/zinc/77/10/84/1128771084.db2.gz JNFLAXIMXQCXIH-INIZCTEOSA-N 2 1 298.515 3.539 20 0 CHADMP C[C@H]1CC([NH2+]CCC[N@@H+](C)Cc2ccccc2)C[C@H](C)C1 ZINC000084462047 1118377782 /nfs/dbraw/zinc/37/77/82/1118377782.db2.gz JFUZFIIRAROQPS-IAGOWNOFSA-N 2 1 288.479 3.923 20 0 CHADMP CC[N@@H+](C/C=C\c1ccccc1)CCC[NH+]1CCCC1 ZINC000580245225 1118407014 /nfs/dbraw/zinc/40/70/14/1118407014.db2.gz FTUHCKLOBVRJIE-WQLSENKSSA-N 2 1 272.436 3.508 20 0 CHADMP CC[N@H+](C/C=C\c1ccccc1)CCC[NH+]1CCCC1 ZINC000580245225 1118407017 /nfs/dbraw/zinc/40/70/17/1118407017.db2.gz FTUHCKLOBVRJIE-WQLSENKSSA-N 2 1 272.436 3.508 20 0 CHADMP CC(C)c1ccc(C[NH2+]Cc2c[nH+]ccc2N(C)C)cc1 ZINC001648909185 1118440479 /nfs/dbraw/zinc/44/04/79/1118440479.db2.gz DZMODAZKQBLOSA-UHFFFAOYSA-N 2 1 283.419 3.561 20 0 CHADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccnc2ccccc12 ZINC000580378982 1118440992 /nfs/dbraw/zinc/44/09/92/1118440992.db2.gz GWLWSOGFCWFCPJ-UHFFFAOYSA-N 2 1 297.446 3.543 20 0 CHADMP CC(C)[NH+](CCC[NH2+]Cc1cc2ccccc2[nH]1)C(C)C ZINC000683928775 1118447748 /nfs/dbraw/zinc/44/77/48/1118447748.db2.gz CFHMLXJWIGVXAF-UHFFFAOYSA-N 2 1 287.451 3.766 20 0 CHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000262001658 1118479005 /nfs/dbraw/zinc/47/90/05/1118479005.db2.gz VFWWKGCVSNQRGP-OXJNMPFZSA-N 2 1 294.442 3.913 20 0 CHADMP CC(C)(C)SCCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001167429201 1118489072 /nfs/dbraw/zinc/48/90/72/1118489072.db2.gz HNHGKBTYKPZOKN-INIZCTEOSA-N 2 1 298.540 3.716 20 0 CHADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001167443166 1118534519 /nfs/dbraw/zinc/53/45/19/1118534519.db2.gz NYKOFSXKCKXIFA-KZNAEPCWSA-N 2 1 278.484 3.763 20 0 CHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000430551372 1118558836 /nfs/dbraw/zinc/55/88/36/1118558836.db2.gz HUJXLBHGOLDDTJ-LPHOPBHVSA-N 2 1 296.458 3.832 20 0 CHADMP CCCC1CCC(n2c[nH+]cc2C2CC[NH2+]CC2)CC1 ZINC000228851594 1118601040 /nfs/dbraw/zinc/60/10/40/1118601040.db2.gz VCXFBKVQJWRKOR-UHFFFAOYSA-N 2 1 275.440 3.882 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CC[N@H+](C)C2CCCC2)CC(C)(C)C1 ZINC000109964440 1118626453 /nfs/dbraw/zinc/62/64/53/1118626453.db2.gz UVLIDICYSZIGJB-GJZGRUSLSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CC[N@@H+](C)C2CCCC2)CC(C)(C)C1 ZINC000109964440 1118626454 /nfs/dbraw/zinc/62/64/54/1118626454.db2.gz UVLIDICYSZIGJB-GJZGRUSLSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C/C=C\Cl)cc1 ZINC000588420727 1118646645 /nfs/dbraw/zinc/64/66/45/1118646645.db2.gz YGFGERWBRDVAOU-KJPDOOANSA-N 2 1 275.783 3.584 20 0 CHADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(C2CCCC2)c1 ZINC000656784536 1118656714 /nfs/dbraw/zinc/65/67/14/1118656714.db2.gz BVTCHJFPAHJASF-KBXCAEBGSA-N 2 1 272.436 3.656 20 0 CHADMP Cc1ncc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)s1 ZINC000090402941 1118673827 /nfs/dbraw/zinc/67/38/27/1118673827.db2.gz AOYNGYUHWFLIKU-KBPBESRZSA-N 2 1 295.496 3.757 20 0 CHADMP CC[C@H]1CCC[C@H](C[NH2+]C(C)(C)C[NH+]2CCCC2)C1 ZINC000308627818 1118679020 /nfs/dbraw/zinc/67/90/20/1118679020.db2.gz JQNZZLVENGMTAC-HOTGVXAUSA-N 2 1 266.473 3.667 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)CC2CCC(C)CC2)CC1 ZINC000510469063 1118708677 /nfs/dbraw/zinc/70/86/77/1118708677.db2.gz KCWZFZHAKKDQLA-UHFFFAOYSA-N 2 1 266.473 3.619 20 0 CHADMP CCC(C)(C)C1CCC([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000399013932 1118717896 /nfs/dbraw/zinc/71/78/96/1118717896.db2.gz CKCVJNVOAXYUJR-LBDPXKHJSA-N 2 1 266.473 3.712 20 0 CHADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000129021495 1118752367 /nfs/dbraw/zinc/75/23/67/1118752367.db2.gz ZEXOKJBPLQKHCH-BEFAXECRSA-N 2 1 280.415 3.665 20 0 CHADMP C[NH2+]C1CC[NH+](CCCSc2ccccc2Cl)CC1 ZINC000430921584 1118787684 /nfs/dbraw/zinc/78/76/84/1118787684.db2.gz YVWDPHVMUDFKKG-UHFFFAOYSA-N 2 1 298.883 3.506 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H]3C3CCC3)CC2)cc1 ZINC000510723427 1118796480 /nfs/dbraw/zinc/79/64/80/1118796480.db2.gz QWQVJWHLEQONGF-WOJBJXKFSA-N 2 1 298.474 3.819 20 0 CHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@H]1C=CCCCCC1 ZINC001167509074 1118969899 /nfs/dbraw/zinc/96/98/99/1118969899.db2.gz KQHACZFUQXLOOM-IRXDYDNUSA-N 2 1 264.457 3.682 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@H]1C=CCCCCC1 ZINC001167509074 1118969901 /nfs/dbraw/zinc/96/99/01/1118969901.db2.gz KQHACZFUQXLOOM-IRXDYDNUSA-N 2 1 264.457 3.682 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@H]1C=CCCCCC1 ZINC001167509074 1118969904 /nfs/dbraw/zinc/96/99/04/1118969904.db2.gz KQHACZFUQXLOOM-IRXDYDNUSA-N 2 1 264.457 3.682 20 0 CHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccccc1C1CC1 ZINC001167509985 1118973131 /nfs/dbraw/zinc/97/31/31/1118973131.db2.gz RZBOEVCJXJULDQ-GOSISDBHSA-N 2 1 286.463 3.870 20 0 CHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccccc1C1CC1 ZINC001167509985 1118973133 /nfs/dbraw/zinc/97/31/33/1118973133.db2.gz RZBOEVCJXJULDQ-GOSISDBHSA-N 2 1 286.463 3.870 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccccc1C1CC1 ZINC001167509985 1118973137 /nfs/dbraw/zinc/97/31/37/1118973137.db2.gz RZBOEVCJXJULDQ-GOSISDBHSA-N 2 1 286.463 3.870 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccccc1C1CC1 ZINC001167509985 1118973138 /nfs/dbraw/zinc/97/31/38/1118973138.db2.gz RZBOEVCJXJULDQ-GOSISDBHSA-N 2 1 286.463 3.870 20 0 CHADMP Cc1ccc2cc(C[NH2+]C[C@H]3CCC[N@H+](C(C)C)C3)[nH]c2c1 ZINC000657347530 1119017717 /nfs/dbraw/zinc/01/77/17/1119017717.db2.gz AQOFNKLGGVIVLK-MRXNPFEDSA-N 2 1 299.462 3.686 20 0 CHADMP CC(C)=CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001167552936 1119027723 /nfs/dbraw/zinc/02/77/23/1119027723.db2.gz AMENYSPXADIUKK-HXUWFJFHSA-N 2 1 298.474 3.941 20 0 CHADMP CC(C)=CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001167552936 1119027727 /nfs/dbraw/zinc/02/77/27/1119027727.db2.gz AMENYSPXADIUKK-HXUWFJFHSA-N 2 1 298.474 3.941 20 0 CHADMP CC(C)=CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001167552936 1119027730 /nfs/dbraw/zinc/02/77/30/1119027730.db2.gz AMENYSPXADIUKK-HXUWFJFHSA-N 2 1 298.474 3.941 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccc(C(C)C)cc1)C1CC1 ZINC000342543092 1119075722 /nfs/dbraw/zinc/07/57/22/1119075722.db2.gz FQZNWJNUDRXFAH-UHFFFAOYSA-N 2 1 297.446 3.980 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccc(C(C)C)cc1)C1CC1 ZINC000342543092 1119075727 /nfs/dbraw/zinc/07/57/27/1119075727.db2.gz FQZNWJNUDRXFAH-UHFFFAOYSA-N 2 1 297.446 3.980 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCC1(C)C ZINC000342622128 1119102700 /nfs/dbraw/zinc/10/27/00/1119102700.db2.gz CPJBBYRCZDERNF-QGZVFWFLSA-N 2 1 274.452 3.805 20 0 CHADMP Cc1cccc([C@H](C)[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000472234703 1119136076 /nfs/dbraw/zinc/13/60/76/1119136076.db2.gz XCVQCWXMSONKDZ-WMZOPIPTSA-N 2 1 286.463 3.720 20 0 CHADMP Cc1cccc([C@H](C)[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000472234703 1119136077 /nfs/dbraw/zinc/13/60/77/1119136077.db2.gz XCVQCWXMSONKDZ-WMZOPIPTSA-N 2 1 286.463 3.720 20 0 CHADMP Cc1cccc([C@H](C)[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000472234703 1119136080 /nfs/dbraw/zinc/13/60/80/1119136080.db2.gz XCVQCWXMSONKDZ-WMZOPIPTSA-N 2 1 286.463 3.720 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000628201307 1128826633 /nfs/dbraw/zinc/82/66/33/1128826633.db2.gz AUXGOIMQIQSPGM-CVEARBPZSA-N 2 1 285.435 3.529 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1CC(F)(F)C1 ZINC000628202985 1128827240 /nfs/dbraw/zinc/82/72/40/1128827240.db2.gz OYIZLIZGJCLMEM-UONOGXRCSA-N 2 1 288.426 3.664 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)C2CCC2)CC[N@@H+]1C ZINC000119230380 1119206405 /nfs/dbraw/zinc/20/64/05/1119206405.db2.gz OPXIDLQONYPDDM-OLMNPRSZSA-N 2 1 272.436 3.600 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)C2CCC2)CC[N@H+]1C ZINC000119230380 1119206407 /nfs/dbraw/zinc/20/64/07/1119206407.db2.gz OPXIDLQONYPDDM-OLMNPRSZSA-N 2 1 272.436 3.600 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](Cc1cccc(F)c1)C(C)C ZINC000342860974 1119214728 /nfs/dbraw/zinc/21/47/28/1119214728.db2.gz SYNVYCWVGIJLSV-UHFFFAOYSA-N 2 1 289.398 3.631 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1cccc(F)c1)C(C)C ZINC000342860974 1119214732 /nfs/dbraw/zinc/21/47/32/1119214732.db2.gz SYNVYCWVGIJLSV-UHFFFAOYSA-N 2 1 289.398 3.631 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)F)CC[N@@H+]1Cc1ccccc1 ZINC000657644711 1119219614 /nfs/dbraw/zinc/21/96/14/1119219614.db2.gz BBPSXJLZVPNQMC-NVXWUHKLSA-N 2 1 292.442 3.767 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)F)CC[N@H+]1Cc1ccccc1 ZINC000657644711 1119219616 /nfs/dbraw/zinc/21/96/16/1119219616.db2.gz BBPSXJLZVPNQMC-NVXWUHKLSA-N 2 1 292.442 3.767 20 0 CHADMP CC[C@@H]1CCCC[C@H]1C[NH2+]CCCCn1cc[nH+]c1C ZINC000628218406 1128829932 /nfs/dbraw/zinc/82/99/32/1128829932.db2.gz DWVQRMWLDUSTJV-SJORKVTESA-N 2 1 277.456 3.778 20 0 CHADMP c1ccc(C[C@H]2CCC[C@@H]2[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000119702430 1119220516 /nfs/dbraw/zinc/22/05/16/1119220516.db2.gz TUSLHFRYFOBKEU-XLIONFOSSA-N 2 1 298.474 3.614 20 0 CHADMP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)C1CC1 ZINC000153730238 1119283304 /nfs/dbraw/zinc/28/33/04/1119283304.db2.gz BUWRZCUHRPDWEF-INIZCTEOSA-N 2 1 287.382 3.598 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)C1 ZINC000122956040 1119289115 /nfs/dbraw/zinc/28/91/15/1119289115.db2.gz JLWZNUVIVOXXOD-CGTJXYLNSA-N 2 1 286.463 3.500 20 0 CHADMP C[N@@H+](CCCn1ccnc1)Cc1cccc2ccccc21 ZINC000124427039 1119314557 /nfs/dbraw/zinc/31/45/57/1119314557.db2.gz FXWWMSHQYUNONK-UHFFFAOYSA-N 2 1 279.387 3.558 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ccccc1)C(C)C ZINC000124751917 1119320470 /nfs/dbraw/zinc/32/04/70/1119320470.db2.gz DHTLURDZTXAUDX-QGZVFWFLSA-N 2 1 271.408 3.569 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC23CC3)CC[N@@H+]1Cc1ccccc1 ZINC000583576113 1119378857 /nfs/dbraw/zinc/37/88/57/1119378857.db2.gz DVOOAVSQESDEJH-NZSAHSFTSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC23CC3)CC[N@H+]1Cc1ccccc1 ZINC000583576113 1119378860 /nfs/dbraw/zinc/37/88/60/1119378860.db2.gz DVOOAVSQESDEJH-NZSAHSFTSA-N 2 1 298.474 3.962 20 0 CHADMP CCC(CC)[C@@H](C[NH2+][C@H]1CCC[C@@H](CC)C1)[NH+](C)C ZINC000226928359 1119385604 /nfs/dbraw/zinc/38/56/04/1119385604.db2.gz XUTZMMTZUQQFNU-HYVNUMGLSA-N 2 1 268.489 3.911 20 0 CHADMP CCC(CC)(CC)[NH2+]CCCCn1cc[nH+]c1C ZINC000129043699 1119389270 /nfs/dbraw/zinc/38/92/70/1119389270.db2.gz JGCLADPRXBMSCW-UHFFFAOYSA-N 2 1 251.418 3.530 20 0 CHADMP CCC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CC1(C)C ZINC000397800821 1119445060 /nfs/dbraw/zinc/44/50/60/1119445060.db2.gz RJZVXMIGXIHIKW-QHEDDYRISA-N 2 1 278.484 3.806 20 0 CHADMP CCC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CC1(C)C ZINC000397800821 1119445062 /nfs/dbraw/zinc/44/50/62/1119445062.db2.gz RJZVXMIGXIHIKW-QHEDDYRISA-N 2 1 278.484 3.806 20 0 CHADMP CCC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CC1(C)C ZINC000397800829 1119445223 /nfs/dbraw/zinc/44/52/23/1119445223.db2.gz RJZVXMIGXIHIKW-VEDBGLOESA-N 2 1 278.484 3.806 20 0 CHADMP CCC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CC1(C)C ZINC000397800829 1119445224 /nfs/dbraw/zinc/44/52/24/1119445224.db2.gz RJZVXMIGXIHIKW-VEDBGLOESA-N 2 1 278.484 3.806 20 0 CHADMP C[N@@H+](Cc1ccc2ccccc2c1)C1CCC([NH3+])CC1 ZINC000091843687 1119482805 /nfs/dbraw/zinc/48/28/05/1119482805.db2.gz NROGMNCZUPSMKP-UHFFFAOYSA-N 2 1 268.404 3.542 20 0 CHADMP Cc1cccc(C2([NH2+]C3CC[NH+](C4CC4)CC3)CCC2)c1 ZINC000647333087 1119525556 /nfs/dbraw/zinc/52/55/56/1119525556.db2.gz LJLKKXWMZBUAOO-UHFFFAOYSA-N 2 1 284.447 3.591 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](C)C(C)(C)C ZINC000685462738 1119610556 /nfs/dbraw/zinc/61/05/56/1119610556.db2.gz FQWKAEKPOXFHLC-HNNXBMFYSA-N 2 1 279.472 3.840 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](C)C(C)(C)C ZINC000685462738 1119610557 /nfs/dbraw/zinc/61/05/57/1119610557.db2.gz FQWKAEKPOXFHLC-HNNXBMFYSA-N 2 1 279.472 3.840 20 0 CHADMP C[C@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000708569536 1119616296 /nfs/dbraw/zinc/61/62/96/1119616296.db2.gz ZFVFYOQEVPWYDA-NBMJBFSESA-N 2 1 286.463 3.533 20 0 CHADMP C[NH+]1CCC(C[N@H+]2CCCC[C@H]2c2ccccc2)CC1 ZINC001207391622 1119628715 /nfs/dbraw/zinc/62/87/15/1119628715.db2.gz JHWIYKBUPAMADY-SFHVURJKSA-N 2 1 272.436 3.555 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C(C)(C)C(F)F)C1 ZINC000657928491 1119644563 /nfs/dbraw/zinc/64/45/63/1119644563.db2.gz CQDCMYAZHRJCKA-KGLIPLIRSA-N 2 1 290.442 3.624 20 0 CHADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1F ZINC000658166354 1119695080 /nfs/dbraw/zinc/69/50/80/1119695080.db2.gz KCQOEVWRICMRST-ZQIUZPCESA-N 2 1 278.415 3.595 20 0 CHADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1F ZINC000658166354 1119695082 /nfs/dbraw/zinc/69/50/82/1119695082.db2.gz KCQOEVWRICMRST-ZQIUZPCESA-N 2 1 278.415 3.595 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](c2ccccc2F)C(C)C)CC1 ZINC000658167191 1119695288 /nfs/dbraw/zinc/69/52/88/1119695288.db2.gz MRXYEHMODZXTQE-KRWDZBQOSA-N 2 1 278.415 3.597 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000340176110 1119744274 /nfs/dbraw/zinc/74/42/74/1119744274.db2.gz FINAYHVWFUKBSZ-RTBURBONSA-N 2 1 280.415 3.612 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000340176110 1119744277 /nfs/dbraw/zinc/74/42/77/1119744277.db2.gz FINAYHVWFUKBSZ-RTBURBONSA-N 2 1 280.415 3.612 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]CC2(C)CCC2)C[C@@H]1c1ccccc1 ZINC000340304757 1119750882 /nfs/dbraw/zinc/75/08/82/1119750882.db2.gz WQEQRMDFZOTDLV-DLBZAZTESA-N 2 1 272.436 3.602 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)CCC2)C[C@@H]1c1ccccc1 ZINC000340304757 1119750886 /nfs/dbraw/zinc/75/08/86/1119750886.db2.gz WQEQRMDFZOTDLV-DLBZAZTESA-N 2 1 272.436 3.602 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]CC2(C)CCC2)C[C@H]1c1ccccc1 ZINC000340304762 1119750971 /nfs/dbraw/zinc/75/09/71/1119750971.db2.gz WQEQRMDFZOTDLV-IRXDYDNUSA-N 2 1 272.436 3.602 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)CCC2)C[C@H]1c1ccccc1 ZINC000340304762 1119750973 /nfs/dbraw/zinc/75/09/73/1119750973.db2.gz WQEQRMDFZOTDLV-IRXDYDNUSA-N 2 1 272.436 3.602 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)[C@H]1C[C@H]1C ZINC000414080130 1119886194 /nfs/dbraw/zinc/88/61/94/1119886194.db2.gz CSOFDHAHDYPJDE-NNFUDEMPSA-N 2 1 286.463 3.846 20 0 CHADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000414170434 1119925165 /nfs/dbraw/zinc/92/51/65/1119925165.db2.gz CAMWFAHNJFHGGX-PBHICJAKSA-N 2 1 278.415 3.598 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000414172565 1119926551 /nfs/dbraw/zinc/92/65/51/1119926551.db2.gz FLYQXZDGXUTXOX-IAGOWNOFSA-N 2 1 274.452 3.686 20 0 CHADMP CC(C)CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000414181146 1119928829 /nfs/dbraw/zinc/92/88/29/1119928829.db2.gz MAHHAGZRHVJFFZ-NVXWUHKLSA-N 2 1 266.473 3.523 20 0 CHADMP CSc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000414196662 1119934340 /nfs/dbraw/zinc/93/43/40/1119934340.db2.gz VSTYPZSQFGXFPV-GJZGRUSLSA-N 2 1 292.492 3.791 20 0 CHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000414196850 1119934518 /nfs/dbraw/zinc/93/45/18/1119934518.db2.gz VLDSCUZMTSLWML-RDTXWAMCSA-N 2 1 290.426 3.525 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(C2CC2)c1 ZINC000414198136 1119935911 /nfs/dbraw/zinc/93/59/11/1119935911.db2.gz WCSNAERYAPFAHL-CVEARBPZSA-N 2 1 286.463 3.947 20 0 CHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c2ccccc12 ZINC000414216196 1119943275 /nfs/dbraw/zinc/94/32/75/1119943275.db2.gz YYXVNLJBOOWTNR-HNAYVOBHSA-N 2 1 282.431 3.578 20 0 CHADMP CC(C)[C@@H](C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1)[NH+]1CCCC1 ZINC000708841224 1119968140 /nfs/dbraw/zinc/96/81/40/1119968140.db2.gz JEIJTTPMEHLRIY-YESZJQIVSA-N 2 1 280.500 3.911 20 0 CHADMP CCCCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000653279545 1119973203 /nfs/dbraw/zinc/97/32/03/1119973203.db2.gz NASYXRWIXFAWHC-RDJZCZTQSA-N 2 1 290.451 3.567 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCC[C@H]1C(C)(C)C ZINC000414304073 1119973238 /nfs/dbraw/zinc/97/32/38/1119973238.db2.gz OMLLYCAAQDGODI-SUJAAXHWSA-N 2 1 266.473 3.520 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(Cl)nc1 ZINC000180416016 1119991358 /nfs/dbraw/zinc/99/13/58/1119991358.db2.gz ZGLCHFBYHYISGS-LBPRGKRZSA-N 2 1 295.858 3.649 20 0 CHADMP Clc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647543224 1120004613 /nfs/dbraw/zinc/00/46/13/1120004613.db2.gz JQVZKISHFQNFTH-STQMWFEESA-N 2 1 298.883 3.613 20 0 CHADMP C[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000187363856 1120018770 /nfs/dbraw/zinc/01/87/70/1120018770.db2.gz AKZHTOMUPPLXEV-CKEIUWERSA-N 2 1 294.870 3.858 20 0 CHADMP C[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000187363856 1120018775 /nfs/dbraw/zinc/01/87/75/1120018775.db2.gz AKZHTOMUPPLXEV-CKEIUWERSA-N 2 1 294.870 3.858 20 0 CHADMP C[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000187363856 1120018780 /nfs/dbraw/zinc/01/87/80/1120018780.db2.gz AKZHTOMUPPLXEV-CKEIUWERSA-N 2 1 294.870 3.858 20 0 CHADMP C[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000187363856 1120018783 /nfs/dbraw/zinc/01/87/83/1120018783.db2.gz AKZHTOMUPPLXEV-CKEIUWERSA-N 2 1 294.870 3.858 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccccc1C ZINC000164670706 1120037872 /nfs/dbraw/zinc/03/78/72/1120037872.db2.gz PCSBIYDXFOPRAY-HNNXBMFYSA-N 2 1 271.408 3.631 20 0 CHADMP CC(C)CCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120779 1120066041 /nfs/dbraw/zinc/06/60/41/1120066041.db2.gz GWJCFKLOZJORDE-CVEARBPZSA-N 2 1 254.462 3.523 20 0 CHADMP Cc1ccccc1[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(C)C ZINC000091268661 1120070530 /nfs/dbraw/zinc/07/05/30/1120070530.db2.gz YMNNRSOPKZBQPD-LJQANCHMSA-N 2 1 286.463 3.909 20 0 CHADMP Cc1ccccc1[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(C)C ZINC000091268663 1120070715 /nfs/dbraw/zinc/07/07/15/1120070715.db2.gz YMNNRSOPKZBQPD-IBGZPJMESA-N 2 1 286.463 3.909 20 0 CHADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000624121151 1120074625 /nfs/dbraw/zinc/07/46/25/1120074625.db2.gz PFJWVGCUEKBJEA-SUMWQHHRSA-N 2 1 292.854 3.649 20 0 CHADMP CC[C@H](C)C[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000540067760 1120112302 /nfs/dbraw/zinc/11/23/02/1120112302.db2.gz UGYUYFGZLYKNTJ-YQVWRLOYSA-N 2 1 288.479 3.923 20 0 CHADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000353309477 1120122702 /nfs/dbraw/zinc/12/27/02/1120122702.db2.gz CKBQWISQLXZNCZ-OLZOCXBDSA-N 2 1 276.415 3.520 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CC2CCC1CC2 ZINC000394296666 1120217737 /nfs/dbraw/zinc/21/77/37/1120217737.db2.gz BDHPQHSFUXZMHX-BKHMQAIXSA-N 2 1 290.495 3.806 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CC2CCC1CC2 ZINC000394296666 1120217741 /nfs/dbraw/zinc/21/77/41/1120217741.db2.gz BDHPQHSFUXZMHX-BKHMQAIXSA-N 2 1 290.495 3.806 20 0 CHADMP CCCC[C@@H](CC)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560759 1128900198 /nfs/dbraw/zinc/90/01/98/1128900198.db2.gz PIRNOPOJWYLQFK-MGNMYUMUSA-N 2 1 266.473 3.808 20 0 CHADMP CCC[N@@H+](CCCc1ccc(Cl)cc1)C[C@H]1CC[NH2+]C1 ZINC001236826934 1128900380 /nfs/dbraw/zinc/90/03/80/1128900380.db2.gz DGXQVMNBMFDYMH-INIZCTEOSA-N 2 1 294.870 3.594 20 0 CHADMP CCCC[N@H+](CC)CC[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168684487 1120243364 /nfs/dbraw/zinc/24/33/64/1120243364.db2.gz JRDOIFLEJIKHMJ-HNNXBMFYSA-N 2 1 294.870 3.519 20 0 CHADMP CCCC[N@@H+](CC)CC[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168684487 1120243369 /nfs/dbraw/zinc/24/33/69/1120243369.db2.gz JRDOIFLEJIKHMJ-HNNXBMFYSA-N 2 1 294.870 3.519 20 0 CHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@](C)(c2ccccc2)C1 ZINC000472939681 1120275957 /nfs/dbraw/zinc/27/59/57/1120275957.db2.gz KLCIGNBCUWOKCF-RTBURBONSA-N 2 1 286.463 3.524 20 0 CHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000472939681 1120275964 /nfs/dbraw/zinc/27/59/64/1120275964.db2.gz KLCIGNBCUWOKCF-RTBURBONSA-N 2 1 286.463 3.524 20 0 CHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000472939681 1120275968 /nfs/dbraw/zinc/27/59/68/1120275968.db2.gz KLCIGNBCUWOKCF-RTBURBONSA-N 2 1 286.463 3.524 20 0 CHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2(CF)CCC2)CC1 ZINC000584720656 1120420790 /nfs/dbraw/zinc/42/07/90/1120420790.db2.gz JHIBHJJPAGGZQG-GDBMZVCRSA-N 2 1 282.447 3.511 20 0 CHADMP CCC[C@H]([NH2+]CCCCn1cc[nH+]c1C)[C@H]1CC1(C)C ZINC000417306398 1120424762 /nfs/dbraw/zinc/42/47/62/1120424762.db2.gz GDKYBTOGNNZFHS-CVEARBPZSA-N 2 1 277.456 3.776 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417325577 1120427655 /nfs/dbraw/zinc/42/76/55/1120427655.db2.gz FIOFQRFNVBFUQC-CBBWQLFWSA-N 2 1 280.481 3.560 20 0 CHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CC23CC3)CC1 ZINC000417338990 1120430853 /nfs/dbraw/zinc/43/08/53/1120430853.db2.gz NNNYTACLUYIMLC-VIQWUECVSA-N 2 1 298.474 3.819 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C2CC2)cc1 ZINC000417356887 1120435663 /nfs/dbraw/zinc/43/56/63/1120435663.db2.gz QNRJSGXHKSMEFO-DEYYWGMASA-N 2 1 272.436 3.697 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C2CC2)cc1 ZINC000417356887 1120435665 /nfs/dbraw/zinc/43/56/65/1120435665.db2.gz QNRJSGXHKSMEFO-DEYYWGMASA-N 2 1 272.436 3.697 20 0 CHADMP C[C@H]([NH2+]CCCC1CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660255338 1120467742 /nfs/dbraw/zinc/46/77/42/1120467742.db2.gz BIKHNUHUVDQPIM-RDJZCZTQSA-N 2 1 278.484 3.809 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000019943315 1120497276 /nfs/dbraw/zinc/49/72/76/1120497276.db2.gz DQBJVAZYIFNDTH-AWEZNQCLSA-N 2 1 274.408 3.815 20 0 CHADMP CC[C@@H]1CCC[C@H](C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000543394382 1120506043 /nfs/dbraw/zinc/50/60/43/1120506043.db2.gz OAJHVDCEKVWGFG-NCOADZHNSA-N 2 1 266.473 3.617 20 0 CHADMP CC[C@@H]1CCC[C@H](C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000543394382 1120506047 /nfs/dbraw/zinc/50/60/47/1120506047.db2.gz OAJHVDCEKVWGFG-NCOADZHNSA-N 2 1 266.473 3.617 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000543394382 1120506051 /nfs/dbraw/zinc/50/60/51/1120506051.db2.gz OAJHVDCEKVWGFG-NCOADZHNSA-N 2 1 266.473 3.617 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000543394382 1120506057 /nfs/dbraw/zinc/50/60/57/1120506057.db2.gz OAJHVDCEKVWGFG-NCOADZHNSA-N 2 1 266.473 3.617 20 0 CHADMP CC[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000500116482 1120514796 /nfs/dbraw/zinc/51/47/96/1120514796.db2.gz ORWXREKYGJCYAC-UHOSZYNNSA-N 2 1 286.463 3.771 20 0 CHADMP CC[C@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000500129637 1120517400 /nfs/dbraw/zinc/51/74/00/1120517400.db2.gz OOQWAJVXRSGSEM-JKSUJKDBSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@@H](C[NH2+][C@H]1CCSc2c(Cl)cccc21)C[NH+](C)C ZINC000425946975 1120524565 /nfs/dbraw/zinc/52/45/65/1120524565.db2.gz YUJWNIWDNCBQPR-FZMZJTMJSA-N 2 1 298.883 3.664 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)[C@@H](C)c1ccccc1 ZINC000543472400 1120529127 /nfs/dbraw/zinc/52/91/27/1120529127.db2.gz FVVAMCGKFCRCFP-SOLBZPMBSA-N 2 1 274.452 3.643 20 0 CHADMP CC(C)=CCC[C@H](C)CC[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000192947271 1120560826 /nfs/dbraw/zinc/56/08/26/1120560826.db2.gz KWNIVFRXWAOBRM-DLBZAZTESA-N 2 1 278.484 3.833 20 0 CHADMP C[N@@H+](C/C=C/c1ccc(Cl)cc1)CCC[NH+]1CCCC1 ZINC000499959009 1120562136 /nfs/dbraw/zinc/56/21/36/1120562136.db2.gz XDHYQUNGOPJKKP-GQCTYLIASA-N 2 1 292.854 3.771 20 0 CHADMP C[N@H+](C/C=C/c1ccc(Cl)cc1)CCC[NH+]1CCCC1 ZINC000499959009 1120562143 /nfs/dbraw/zinc/56/21/43/1120562143.db2.gz XDHYQUNGOPJKKP-GQCTYLIASA-N 2 1 292.854 3.771 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000783247117 1120564289 /nfs/dbraw/zinc/56/42/89/1120564289.db2.gz CYTAMAFUBGFCMO-SMYFESCOSA-N 2 1 286.463 3.531 20 0 CHADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000922671249 1120576652 /nfs/dbraw/zinc/57/66/52/1120576652.db2.gz ZORILTAOXVIZMP-DZGCQCFKSA-N 2 1 278.415 3.658 20 0 CHADMP CC(C)=CCC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000660431652 1120604991 /nfs/dbraw/zinc/60/49/91/1120604991.db2.gz SSEUQGIZIUQHGP-UHFFFAOYSA-N 2 1 274.408 3.590 20 0 CHADMP CC[C@H](C[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+])CC(F)(F)F ZINC000925697426 1120622712 /nfs/dbraw/zinc/62/27/12/1120622712.db2.gz NLOWJSCFNRWVCD-OBJOEFQTSA-N 2 1 288.357 3.643 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000300256756 1120635978 /nfs/dbraw/zinc/63/59/78/1120635978.db2.gz IPTFKIQWZTWJFW-DOTOQJQBSA-N 2 1 292.854 3.612 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000300256756 1120635980 /nfs/dbraw/zinc/63/59/80/1120635980.db2.gz IPTFKIQWZTWJFW-DOTOQJQBSA-N 2 1 292.854 3.612 20 0 CHADMP CSc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000282457971 1120686000 /nfs/dbraw/zinc/68/60/00/1120686000.db2.gz VKCPOSHDHLCLMZ-RRFJBIMHSA-N 2 1 290.476 3.686 20 0 CHADMP CSc1ccccc1[C@@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000282467563 1120695165 /nfs/dbraw/zinc/69/51/65/1120695165.db2.gz GGCHSUJQMWGLSX-MCIONIFRSA-N 2 1 278.465 3.542 20 0 CHADMP CSc1ccccc1[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000282467563 1120695168 /nfs/dbraw/zinc/69/51/68/1120695168.db2.gz GGCHSUJQMWGLSX-MCIONIFRSA-N 2 1 278.465 3.542 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCCC[C@H]2C)C1 ZINC000651706115 1120717074 /nfs/dbraw/zinc/71/70/74/1120717074.db2.gz TUBYIHJEDTZSGA-BRWVUGGUSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC2(CCCC2)CC1 ZINC000661230857 1120740071 /nfs/dbraw/zinc/74/00/71/1120740071.db2.gz FOZVUSGXLSIYKY-UHFFFAOYSA-N 2 1 275.440 3.628 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC2(CCCC2)CC1 ZINC000661230857 1120740075 /nfs/dbraw/zinc/74/00/75/1120740075.db2.gz FOZVUSGXLSIYKY-UHFFFAOYSA-N 2 1 275.440 3.628 20 0 CHADMP FC(F)c1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC000228081100 1120759164 /nfs/dbraw/zinc/75/91/64/1120759164.db2.gz ODBNLTZVJPZGKI-KRWDZBQOSA-N 2 1 294.389 3.590 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661437969 1120764000 /nfs/dbraw/zinc/76/40/00/1120764000.db2.gz QVFKFBKBZJQEJU-KRWDZBQOSA-N 2 1 299.418 3.792 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661437969 1120764003 /nfs/dbraw/zinc/76/40/03/1120764003.db2.gz QVFKFBKBZJQEJU-KRWDZBQOSA-N 2 1 299.418 3.792 20 0 CHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000651864877 1120766938 /nfs/dbraw/zinc/76/69/38/1120766938.db2.gz HSUOOLWDIZJOLZ-GOSISDBHSA-N 2 1 289.467 3.501 20 0 CHADMP CC1=C[C@H](C)C[NH+]([C@@H](C)CC[N@@H+]2CC(C)=C[C@H](C)C2)C1 ZINC000430264919 1120854867 /nfs/dbraw/zinc/85/48/67/1120854867.db2.gz CDQPZDHTPDYCRJ-ZVZYQTTQSA-N 2 1 276.468 3.561 20 0 CHADMP CC1=C[C@H](C)C[NH+](CC[C@H](C)[N@H+]2CC(C)=C[C@H](C)C2)C1 ZINC000430264919 1120854869 /nfs/dbraw/zinc/85/48/69/1120854869.db2.gz CDQPZDHTPDYCRJ-ZVZYQTTQSA-N 2 1 276.468 3.561 20 0 CHADMP CC1=C[C@H](C)C[NH+](CC[C@H](C)[N@@H+]2CC(C)=C[C@H](C)C2)C1 ZINC000430264919 1120854871 /nfs/dbraw/zinc/85/48/71/1120854871.db2.gz CDQPZDHTPDYCRJ-ZVZYQTTQSA-N 2 1 276.468 3.561 20 0 CHADMP [NH3+][C@@H]1CCC[C@@H](Nc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000115337653 1120893970 /nfs/dbraw/zinc/89/39/70/1120893970.db2.gz NAWYTIYMCPBBRY-VXGBXAGGSA-N 2 1 275.783 3.570 20 0 CHADMP CC(C)c1nc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cs1 ZINC000662311538 1120924313 /nfs/dbraw/zinc/92/43/13/1120924313.db2.gz BSHMWOWYNUUVTI-UKRRQHHQSA-N 2 1 295.496 3.606 20 0 CHADMP C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3o2)[C@@H]1CCC[NH3+] ZINC000662318134 1120927074 /nfs/dbraw/zinc/92/70/74/1120927074.db2.gz WUGUZKOCYPFFDY-RHSMWYFYSA-N 2 1 286.419 3.772 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000221923106 1120937445 /nfs/dbraw/zinc/93/74/45/1120937445.db2.gz JXVAKJGUDOZAMF-CYBMUJFWSA-N 2 1 291.464 3.677 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000221923106 1120937448 /nfs/dbraw/zinc/93/74/48/1120937448.db2.gz JXVAKJGUDOZAMF-CYBMUJFWSA-N 2 1 291.464 3.677 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C2CC2)cc1 ZINC000221933164 1120939656 /nfs/dbraw/zinc/93/96/56/1120939656.db2.gz RLTSCSYVHFHCFY-WBAXXEDZSA-N 2 1 272.436 3.518 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C2CC2)cc1 ZINC000221933164 1120939658 /nfs/dbraw/zinc/93/96/58/1120939658.db2.gz RLTSCSYVHFHCFY-WBAXXEDZSA-N 2 1 272.436 3.518 20 0 CHADMP Clc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663347306 1120942463 /nfs/dbraw/zinc/94/24/63/1120942463.db2.gz JSUAYRZOHSOQQN-MRXNPFEDSA-N 2 1 292.854 3.552 20 0 CHADMP c1c2ccccc2oc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347499 1120942747 /nfs/dbraw/zinc/94/27/47/1120942747.db2.gz MFTUXZJLXRVCAB-INIZCTEOSA-N 2 1 298.430 3.644 20 0 CHADMP c1c2ccccc2oc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347499 1120942749 /nfs/dbraw/zinc/94/27/49/1120942749.db2.gz MFTUXZJLXRVCAB-INIZCTEOSA-N 2 1 298.430 3.644 20 0 CHADMP Cc1cc(C)c([C@H](C)[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(C)c1 ZINC000070171696 1120958907 /nfs/dbraw/zinc/95/89/07/1120958907.db2.gz UNNNEIUBKJTPBX-IKGGRYGDSA-N 2 1 274.452 3.732 20 0 CHADMP CCC[C@H](C)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390780253 1120979301 /nfs/dbraw/zinc/97/93/01/1120979301.db2.gz RMPQYDSGBVXGIW-YQVWRLOYSA-N 2 1 288.479 3.923 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)oc1C ZINC000663463734 1120980666 /nfs/dbraw/zinc/98/06/66/1120980666.db2.gz BEQDXOZVALQXPB-YOEHRIQHSA-N 2 1 290.451 3.669 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)oc1C ZINC000663463734 1120980670 /nfs/dbraw/zinc/98/06/70/1120980670.db2.gz BEQDXOZVALQXPB-YOEHRIQHSA-N 2 1 290.451 3.669 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cs1 ZINC000663466200 1120980793 /nfs/dbraw/zinc/98/07/93/1120980793.db2.gz PJTPQZDJANHVGK-GDBMZVCRSA-N 2 1 292.492 3.829 20 0 CHADMP Cc1ccc(N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000390807797 1120990463 /nfs/dbraw/zinc/99/04/63/1120990463.db2.gz NHQZRJYMVOXBFU-FUHWJXTLSA-N 2 1 295.430 3.713 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H]1c1ccncc1 ZINC001167825894 1121000133 /nfs/dbraw/zinc/00/01/33/1121000133.db2.gz LMOKMQLXFYQLMX-WMZOPIPTSA-N 2 1 289.467 3.729 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H]1c1nccs1 ZINC001167836462 1121039257 /nfs/dbraw/zinc/03/92/57/1121039257.db2.gz DTEDEJYDGJMQRG-LSDHHAIUSA-N 2 1 295.496 3.791 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc3ccccc3c2)CC1 ZINC000037977243 1121096111 /nfs/dbraw/zinc/09/61/11/1121096111.db2.gz PUBLCAVSFXVVHD-OAHLLOKOSA-N 2 1 282.431 3.975 20 0 CHADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C1CCC(C(F)(F)F)CC1 ZINC000344131671 1121099905 /nfs/dbraw/zinc/09/99/05/1121099905.db2.gz OBXGPAAQJKKARV-ROKHWSDSSA-N 2 1 292.389 3.524 20 0 CHADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C1CCC(C(F)(F)F)CC1 ZINC000344131671 1121099914 /nfs/dbraw/zinc/09/99/14/1121099914.db2.gz OBXGPAAQJKKARV-ROKHWSDSSA-N 2 1 292.389 3.524 20 0 CHADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C1CCC(C(F)(F)F)CC1 ZINC000344131671 1121099924 /nfs/dbraw/zinc/09/99/24/1121099924.db2.gz OBXGPAAQJKKARV-ROKHWSDSSA-N 2 1 292.389 3.524 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093643805 1128965965 /nfs/dbraw/zinc/96/59/65/1128965965.db2.gz ZBSFMCDHEHHQPS-GDBMZVCRSA-N 2 1 294.870 3.871 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093643805 1128965968 /nfs/dbraw/zinc/96/59/68/1128965968.db2.gz ZBSFMCDHEHHQPS-GDBMZVCRSA-N 2 1 294.870 3.871 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093643805 1128965971 /nfs/dbraw/zinc/96/59/71/1128965971.db2.gz ZBSFMCDHEHHQPS-GDBMZVCRSA-N 2 1 294.870 3.871 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093643805 1128965974 /nfs/dbraw/zinc/96/59/74/1128965974.db2.gz ZBSFMCDHEHHQPS-GDBMZVCRSA-N 2 1 294.870 3.871 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2sc(C(C)C)nc2C)C1 ZINC000163234109 1121176891 /nfs/dbraw/zinc/17/68/91/1121176891.db2.gz HGLRBDIOBWQSAX-JSGCOSHPSA-N 2 1 295.496 3.567 20 0 CHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1CCCc2ccccc21 ZINC000674771514 1121178935 /nfs/dbraw/zinc/17/89/35/1121178935.db2.gz OBVJDOMEUXUQBK-IEBWSBKVSA-N 2 1 286.463 3.870 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCCc2ccccc21 ZINC000674771514 1121178937 /nfs/dbraw/zinc/17/89/37/1121178937.db2.gz OBVJDOMEUXUQBK-IEBWSBKVSA-N 2 1 286.463 3.870 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@@H]1CCCc2ccccc21 ZINC000674771514 1121178942 /nfs/dbraw/zinc/17/89/42/1121178942.db2.gz OBVJDOMEUXUQBK-IEBWSBKVSA-N 2 1 286.463 3.870 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000093693492 1128970763 /nfs/dbraw/zinc/97/07/63/1128970763.db2.gz KHMBAGQJFRIFDR-RTRPANQVSA-N 2 1 290.426 3.503 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000093693492 1128970768 /nfs/dbraw/zinc/97/07/68/1128970768.db2.gz KHMBAGQJFRIFDR-RTRPANQVSA-N 2 1 290.426 3.503 20 0 CHADMP C[N@@H+]1CCC[C@@H](C[NH2+]CC2(C)CC2)[C@@H]1c1cccs1 ZINC000562328515 1121316894 /nfs/dbraw/zinc/31/68/94/1121316894.db2.gz YIZKSFCHBMCWFP-DZGCQCFKSA-N 2 1 278.465 3.521 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH2+]CC2(C)CC2)[C@@H]1c1cccs1 ZINC000562328515 1121316902 /nfs/dbraw/zinc/31/69/02/1121316902.db2.gz YIZKSFCHBMCWFP-DZGCQCFKSA-N 2 1 278.465 3.521 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CCC(C)(C)c2ccccc2)[C@@H](C)C1 ZINC000675770400 1121358436 /nfs/dbraw/zinc/35/84/36/1121358436.db2.gz FFKMYRFUPKLTQE-WMZOPIPTSA-N 2 1 288.479 3.674 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](c2ccccc2)C2CCC2)CC1 ZINC000675814322 1121367017 /nfs/dbraw/zinc/36/70/17/1121367017.db2.gz UHOAROHGKKSVEO-SFHVURJKSA-N 2 1 272.436 3.602 20 0 CHADMP Fc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc12 ZINC000631044806 1128981214 /nfs/dbraw/zinc/98/12/14/1128981214.db2.gz NWYHUDADMRRZRD-CVEARBPZSA-N 2 1 298.405 3.695 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](CC)Cc1cccs1 ZINC000676211616 1121414680 /nfs/dbraw/zinc/41/46/80/1121414680.db2.gz BBTROTXCFBYWBW-LSDHHAIUSA-N 2 1 282.497 3.779 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](CC)Cc1cccs1 ZINC000676211616 1121414683 /nfs/dbraw/zinc/41/46/83/1121414683.db2.gz BBTROTXCFBYWBW-LSDHHAIUSA-N 2 1 282.497 3.779 20 0 CHADMP Cc1ccc([C@@H](C)[N@@H+](C)CCCCCC[NH3+])c(C)c1 ZINC000710757081 1121476405 /nfs/dbraw/zinc/47/64/05/1121476405.db2.gz CKDZAPFBUWWAPW-MRXNPFEDSA-N 2 1 262.441 3.815 20 0 CHADMP Cc1ccc2cc(NCC(C)(C)C[NH+](C)C)[nH+]cc2c1 ZINC001168762923 1121590970 /nfs/dbraw/zinc/59/09/70/1121590970.db2.gz AZTITOJAJWBVOO-UHFFFAOYSA-N 2 1 271.408 3.543 20 0 CHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CC1CC=CC1 ZINC000626063891 1121593019 /nfs/dbraw/zinc/59/30/19/1121593019.db2.gz UOPRAQINBIJEFB-UHFFFAOYSA-N 2 1 272.436 3.536 20 0 CHADMP C[N@@H+]1CCC[C@@H](C[NH2+]C2CC(C)(C)C2)[C@@H]1c1cccs1 ZINC000433267752 1121632814 /nfs/dbraw/zinc/63/28/14/1121632814.db2.gz HYZQUSVSYVODOX-XJKSGUPXSA-N 2 1 292.492 3.909 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CC(C)(C)C2)[C@@H]1c1cccs1 ZINC000433267752 1121632815 /nfs/dbraw/zinc/63/28/15/1121632815.db2.gz HYZQUSVSYVODOX-XJKSGUPXSA-N 2 1 292.492 3.909 20 0 CHADMP Cc1nccn1CCC[N@H+](C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419336654 1121665630 /nfs/dbraw/zinc/66/56/30/1121665630.db2.gz PVWOYBSSTJJBOL-HZPDHXFCSA-N 2 1 277.456 3.728 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419336654 1121665633 /nfs/dbraw/zinc/66/56/33/1121665633.db2.gz PVWOYBSSTJJBOL-HZPDHXFCSA-N 2 1 277.456 3.728 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419336654 1121665637 /nfs/dbraw/zinc/66/56/37/1121665637.db2.gz PVWOYBSSTJJBOL-HZPDHXFCSA-N 2 1 277.456 3.728 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001177086974 1121711932 /nfs/dbraw/zinc/71/19/32/1121711932.db2.gz RBAAQSHXZSENSN-CVEARBPZSA-N 2 1 266.473 3.809 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1(C)C ZINC001177148325 1121715541 /nfs/dbraw/zinc/71/55/41/1121715541.db2.gz DNBUBJUDRJWPJB-HZMVEIRTSA-N 2 1 278.484 3.808 20 0 CHADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC001177611729 1121743478 /nfs/dbraw/zinc/74/34/78/1121743478.db2.gz HENFSJXWQSOEHN-CABCVRRESA-N 2 1 254.462 3.523 20 0 CHADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC001177611729 1121743485 /nfs/dbraw/zinc/74/34/85/1121743485.db2.gz HENFSJXWQSOEHN-CABCVRRESA-N 2 1 254.462 3.523 20 0 CHADMP CCC[C@H]([NH2+]CCC[N@H+](C)C(C)C)c1cc(C)ccn1 ZINC000631566261 1129007506 /nfs/dbraw/zinc/00/75/06/1129007506.db2.gz OJUFZLSFDLKOBW-INIZCTEOSA-N 2 1 277.456 3.551 20 0 CHADMP CCC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1cc(C)ccn1 ZINC000631566261 1129007509 /nfs/dbraw/zinc/00/75/09/1129007509.db2.gz OJUFZLSFDLKOBW-INIZCTEOSA-N 2 1 277.456 3.551 20 0 CHADMP COc1ccc2cc(C[N@H+]3CCCC[C@H]3CC[NH3+])ccc2c1 ZINC000261985621 1129009856 /nfs/dbraw/zinc/00/98/56/1129009856.db2.gz SEASDHOSVDXOQU-SFHVURJKSA-N 2 1 298.430 3.552 20 0 CHADMP CC(C)(CC[N@@H+]1CCCC[C@@](F)(C[NH3+])C1)c1ccccc1 ZINC001206337294 1121803026 /nfs/dbraw/zinc/80/30/26/1121803026.db2.gz SDMBVWSYYRELND-GOSISDBHSA-N 2 1 292.442 3.507 20 0 CHADMP CC(C)(CC[N@H+]1CCCC[C@@](F)(C[NH3+])C1)c1ccccc1 ZINC001206337294 1121803037 /nfs/dbraw/zinc/80/30/37/1121803037.db2.gz SDMBVWSYYRELND-GOSISDBHSA-N 2 1 292.442 3.507 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000436278824 1121833763 /nfs/dbraw/zinc/83/37/63/1121833763.db2.gz DYXJVUNNLBVWKG-RTBURBONSA-N 2 1 288.479 3.718 20 0 CHADMP CC1(C)CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC001179259528 1121866737 /nfs/dbraw/zinc/86/67/37/1121866737.db2.gz UTKWSZGSUMOJAZ-IRXDYDNUSA-N 2 1 278.484 3.667 20 0 CHADMP C[C@@H](C[N@@H+](C)CCCC1CC[NH2+]CC1)c1ccccc1 ZINC000647884110 1121897532 /nfs/dbraw/zinc/89/75/32/1121897532.db2.gz HZJDLUMBZCVYOB-INIZCTEOSA-N 2 1 274.452 3.502 20 0 CHADMP CC[C@@H](C)[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000500986165 1121935782 /nfs/dbraw/zinc/93/57/82/1121935782.db2.gz UDJZSXCJRFCCFJ-OAHLLOKOSA-N 2 1 266.473 3.619 20 0 CHADMP CC[NH+]1CCC([N@H+](C)[C@@H](C)c2nccc3ccccc32)CC1 ZINC001180531027 1121994359 /nfs/dbraw/zinc/99/43/59/1121994359.db2.gz BLQHHHFQGNGNOV-HNNXBMFYSA-N 2 1 297.446 3.712 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)[C@@H](C)c2nccc3ccccc32)CC1 ZINC001180531027 1121994365 /nfs/dbraw/zinc/99/43/65/1121994365.db2.gz BLQHHHFQGNGNOV-HNNXBMFYSA-N 2 1 297.446 3.712 20 0 CHADMP Cc1ccc([C@H]2CCCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420295202 1121995570 /nfs/dbraw/zinc/99/55/70/1121995570.db2.gz BWIQQNSKLVGAMH-SJLPKXTDSA-N 2 1 272.436 3.522 20 0 CHADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420301071 1121997983 /nfs/dbraw/zinc/99/79/83/1121997983.db2.gz KZVVNZCKESFBSO-QRQLOZEOSA-N 2 1 286.463 3.644 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420305970 1121998048 /nfs/dbraw/zinc/99/80/48/1121998048.db2.gz QFBITDJNPWBKPZ-ZNMIVQPWSA-N 2 1 294.870 3.763 20 0 CHADMP c1ccc2c(c1)CC[C@@H]2[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000420317758 1122000423 /nfs/dbraw/zinc/00/04/23/1122000423.db2.gz NWLNZBHGFYYRNS-BEFAXECRSA-N 2 1 284.447 3.528 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330908 1122001207 /nfs/dbraw/zinc/00/12/07/1122001207.db2.gz QGEYLKGQORUZKM-FVQBIDKESA-N 2 1 292.854 3.723 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420326078 1122001261 /nfs/dbraw/zinc/00/12/61/1122001261.db2.gz JEXDLWAXVFTNFT-VNQPRFMTSA-N 2 1 292.854 3.723 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420325085 1122002120 /nfs/dbraw/zinc/00/21/20/1122002120.db2.gz HYJIPWGXXQEZOR-XYJFISCASA-N 2 1 290.426 3.598 20 0 CHADMP Cc1ccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000420363939 1122002578 /nfs/dbraw/zinc/00/25/78/1122002578.db2.gz CFCDLDRPNRYNCT-YLJYHZDGSA-N 2 1 294.442 3.674 20 0 CHADMP c1ccc2c(c1)cccc2C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420405062 1122006133 /nfs/dbraw/zinc/00/61/33/1122006133.db2.gz SPFSTDHAHXBMGR-XLIONFOSSA-N 2 1 294.442 3.804 20 0 CHADMP c1ccc2c(c1)cccc2C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420405060 1122006230 /nfs/dbraw/zinc/00/62/30/1122006230.db2.gz SPFSTDHAHXBMGR-FXAWDEMLSA-N 2 1 294.442 3.804 20 0 CHADMP CCC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc(C)ccn1 ZINC000631634745 1122021150 /nfs/dbraw/zinc/02/11/50/1122021150.db2.gz DDJJBWOTAKOAGD-QGZVFWFLSA-N 2 1 289.467 3.695 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c(C)[nH]c2ccccc21 ZINC001204292410 1122041924 /nfs/dbraw/zinc/04/19/24/1122041924.db2.gz BXKSMVDAVIZHDS-UHFFFAOYSA-N 2 1 287.451 3.640 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)[C@@H]1CC2CCC1CC2 ZINC001181410974 1122052363 /nfs/dbraw/zinc/05/23/63/1122052363.db2.gz VPMVNHLGISJJTQ-AKNDPVLGSA-N 2 1 266.473 3.521 20 0 CHADMP CCC[C@H]([NH2+]C[C@@H](C)[NH+](CC)CC)[C@H]1CC1(C)C ZINC001181409840 1122056081 /nfs/dbraw/zinc/05/60/81/1122056081.db2.gz FUDKZMQCZSOOOG-KFWWJZLASA-N 2 1 254.462 3.521 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC001181506604 1122059790 /nfs/dbraw/zinc/05/97/90/1122059790.db2.gz SKZCXJZWHWLCEN-OALUTQOASA-N 2 1 288.479 3.770 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@H]1CCCC[C@@H]1C ZINC001181586835 1122064094 /nfs/dbraw/zinc/06/40/94/1122064094.db2.gz DLVUMGCGSTXXLH-YVSFHVDLSA-N 2 1 266.473 3.665 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@H]1CCCC[C@@H]1C ZINC001181586835 1122064102 /nfs/dbraw/zinc/06/41/02/1122064102.db2.gz DLVUMGCGSTXXLH-YVSFHVDLSA-N 2 1 266.473 3.665 20 0 CHADMP C[N@H+](CCCCCC[NH3+])Cc1c(Cl)cccc1Cl ZINC000710796957 1122123076 /nfs/dbraw/zinc/12/30/76/1122123076.db2.gz DYHUMTIYDPXBQV-UHFFFAOYSA-N 2 1 289.250 3.944 20 0 CHADMP C[N@@H+](CCCCCC[NH3+])Cc1c(Cl)cccc1Cl ZINC000710796957 1122123080 /nfs/dbraw/zinc/12/30/80/1122123080.db2.gz DYHUMTIYDPXBQV-UHFFFAOYSA-N 2 1 289.250 3.944 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000503094209 1122167175 /nfs/dbraw/zinc/16/71/75/1122167175.db2.gz HUMVELUOYYZYSI-QZTJIDSGSA-N 2 1 286.463 3.596 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ccccc1C)C1CC1 ZINC000271829608 1122178226 /nfs/dbraw/zinc/17/82/26/1122178226.db2.gz IWWNQDIBZXLCCZ-GOSISDBHSA-N 2 1 283.419 3.631 20 0 CHADMP CC(C)C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccs1 ZINC000271877898 1122180174 /nfs/dbraw/zinc/18/01/74/1122180174.db2.gz OMUBCSQWNUKFCD-OAHLLOKOSA-N 2 1 278.465 3.687 20 0 CHADMP CCC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC001182903021 1122194659 /nfs/dbraw/zinc/19/46/59/1122194659.db2.gz VRFKTEINQBLWCH-RTBURBONSA-N 2 1 288.479 3.719 20 0 CHADMP C[C@@]1([NH3+])CCC[N@@H+](CCCC2CCCCC2)CC1 ZINC001205258020 1122212138 /nfs/dbraw/zinc/21/21/38/1122212138.db2.gz ZZIOWNZYHBXEQX-MRXNPFEDSA-N 2 1 252.446 3.550 20 0 CHADMP CC1=CC[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC001183379226 1122222165 /nfs/dbraw/zinc/22/21/65/1122222165.db2.gz KGUBIZBKWUXRFH-SJLPKXTDSA-N 2 1 276.468 3.872 20 0 CHADMP CC1=CC[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC001183379226 1122222169 /nfs/dbraw/zinc/22/21/69/1122222169.db2.gz KGUBIZBKWUXRFH-SJLPKXTDSA-N 2 1 276.468 3.872 20 0 CHADMP CC1=CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC001183379224 1122222212 /nfs/dbraw/zinc/22/22/12/1122222212.db2.gz KGUBIZBKWUXRFH-AEFFLSMTSA-N 2 1 276.468 3.872 20 0 CHADMP CC1=CC[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC001183379224 1122222217 /nfs/dbraw/zinc/22/22/17/1122222217.db2.gz KGUBIZBKWUXRFH-AEFFLSMTSA-N 2 1 276.468 3.872 20 0 CHADMP C([NH2+][C@@H]1CC[C@@H]1C1CCC1)[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001183379218 1122222302 /nfs/dbraw/zinc/22/23/02/1122222302.db2.gz KGHWPCBFONGZET-GUDVDZBRSA-N 2 1 290.495 3.952 20 0 CHADMP C([NH2+][C@@H]1CC[C@@H]1C1CCC1)[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001183379218 1122222307 /nfs/dbraw/zinc/22/23/07/1122222307.db2.gz KGHWPCBFONGZET-GUDVDZBRSA-N 2 1 290.495 3.952 20 0 CHADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cc3ccc(Cl)cc3[nH]2)CC1 ZINC001205281303 1122239685 /nfs/dbraw/zinc/23/96/85/1122239685.db2.gz SAMDLHOXHNQIIZ-INIZCTEOSA-N 2 1 291.826 3.525 20 0 CHADMP CC[N@H+](Cc1ccc(Cl)s1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414684626 1122267116 /nfs/dbraw/zinc/26/71/16/1122267116.db2.gz WLNNHFGSRMIBAA-NEPJUHHUSA-N 2 1 286.872 3.612 20 0 CHADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCC(c4ccccc4)CC3)[C@H]2C1 ZINC001184387482 1122272889 /nfs/dbraw/zinc/27/28/89/1122272889.db2.gz LFGSNAGWLOPSSI-KPZODNFCSA-N 2 1 298.474 3.643 20 0 CHADMP C[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000503941527 1122281128 /nfs/dbraw/zinc/28/11/28/1122281128.db2.gz JRLARJRAIJLKSR-XIKSMUEASA-N 2 1 298.474 3.960 20 0 CHADMP CC[C@@H]1C[N@@H+](CCCc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000647936281 1122309055 /nfs/dbraw/zinc/30/90/55/1122309055.db2.gz ATUGROIZTGPUIP-OXQOHEQNSA-N 2 1 296.458 3.832 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)c3c2cccc3C)C1 ZINC000504895196 1122309566 /nfs/dbraw/zinc/30/95/66/1122309566.db2.gz RMHDKDKTGVHYFW-JFIYKMOQSA-N 2 1 286.463 3.865 20 0 CHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000435382471 1122462321 /nfs/dbraw/zinc/46/23/21/1122462321.db2.gz DDYXWWLZPGYXNX-GOEBONIOSA-N 2 1 284.403 3.506 20 0 CHADMP CC[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000515093832 1122476625 /nfs/dbraw/zinc/47/66/25/1122476625.db2.gz SCNBEDUCJZOODS-OWSLCNJRSA-N 2 1 278.484 3.619 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000515093832 1122476628 /nfs/dbraw/zinc/47/66/28/1122476628.db2.gz SCNBEDUCJZOODS-OWSLCNJRSA-N 2 1 278.484 3.619 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000515093832 1122476630 /nfs/dbraw/zinc/47/66/30/1122476630.db2.gz SCNBEDUCJZOODS-OWSLCNJRSA-N 2 1 278.484 3.619 20 0 CHADMP CC[N@@H+](CCC[NH2+]C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000435874648 1122495108 /nfs/dbraw/zinc/49/51/08/1122495108.db2.gz MJTZVOXELXNYLJ-LBPRGKRZSA-N 2 1 288.357 3.698 20 0 CHADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1(c2ccccc2)CCCC1 ZINC000515702689 1122526428 /nfs/dbraw/zinc/52/64/28/1122526428.db2.gz VOEBCDYACWUBTH-KRWDZBQOSA-N 2 1 298.474 3.738 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000436285497 1122530728 /nfs/dbraw/zinc/53/07/28/1122530728.db2.gz PVZDDYRWWAQGSV-NEWSRXKRSA-N 2 1 286.463 3.644 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000436283813 1122530996 /nfs/dbraw/zinc/53/09/96/1122530996.db2.gz WBJYPOQKLCHGHW-NJAFHUGGSA-N 2 1 274.452 3.643 20 0 CHADMP CC[C@H](C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)[NH+]1CCCC1 ZINC000436285238 1122531272 /nfs/dbraw/zinc/53/12/72/1122531272.db2.gz CYBOJPUMXXWWEE-GUDVDZBRSA-N 2 1 286.463 3.787 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000505821664 1122550697 /nfs/dbraw/zinc/55/06/97/1122550697.db2.gz ZMFFZVWAYWEXND-JQDPHBCOSA-N 2 1 284.447 3.649 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000505821664 1122550699 /nfs/dbraw/zinc/55/06/99/1122550699.db2.gz ZMFFZVWAYWEXND-JQDPHBCOSA-N 2 1 284.447 3.649 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000505821664 1122550702 /nfs/dbraw/zinc/55/07/02/1122550702.db2.gz ZMFFZVWAYWEXND-JQDPHBCOSA-N 2 1 284.447 3.649 20 0 CHADMP CC(C)=CCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001191048441 1122571118 /nfs/dbraw/zinc/57/11/18/1122571118.db2.gz OBCIDHVQFFGDGK-QZTJIDSGSA-N 2 1 278.484 3.929 20 0 CHADMP CC(C)=CCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC001191048441 1122571124 /nfs/dbraw/zinc/57/11/24/1122571124.db2.gz OBCIDHVQFFGDGK-QZTJIDSGSA-N 2 1 278.484 3.929 20 0 CHADMP CC(C)=CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC001191048441 1122571128 /nfs/dbraw/zinc/57/11/28/1122571128.db2.gz OBCIDHVQFFGDGK-QZTJIDSGSA-N 2 1 278.484 3.929 20 0 CHADMP CC(C)=CCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001191048439 1122571248 /nfs/dbraw/zinc/57/12/48/1122571248.db2.gz OBCIDHVQFFGDGK-MSOLQXFVSA-N 2 1 278.484 3.929 20 0 CHADMP CC(C)=CCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC001191048439 1122571252 /nfs/dbraw/zinc/57/12/52/1122571252.db2.gz OBCIDHVQFFGDGK-MSOLQXFVSA-N 2 1 278.484 3.929 20 0 CHADMP CC(C)=CCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC001191048439 1122571256 /nfs/dbraw/zinc/57/12/56/1122571256.db2.gz OBCIDHVQFFGDGK-MSOLQXFVSA-N 2 1 278.484 3.929 20 0 CHADMP C[C@@H]1CCCC[C@H]1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC001191259415 1122585625 /nfs/dbraw/zinc/58/56/25/1122585625.db2.gz VMSPCWSVYZXBKZ-IXDOHACOSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H]1CCCC[C@H]1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC001191259415 1122585628 /nfs/dbraw/zinc/58/56/28/1122585628.db2.gz VMSPCWSVYZXBKZ-IXDOHACOSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H]1CCCC[C@H]1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC001191259415 1122585632 /nfs/dbraw/zinc/58/56/32/1122585632.db2.gz VMSPCWSVYZXBKZ-IXDOHACOSA-N 2 1 266.473 3.619 20 0 CHADMP CCCC[C@H](CC)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205602759 1122651242 /nfs/dbraw/zinc/65/12/42/1122651242.db2.gz MESPQXBKSYCFRF-PMPSAXMXSA-N 2 1 254.462 3.510 20 0 CHADMP C[C@H](C[NH2+][C@H](C)c1ccc(-c2ccccc2)o1)C[NH+](C)C ZINC000425935551 1122663829 /nfs/dbraw/zinc/66/38/29/1122663829.db2.gz IXTRYYHISJCDKV-HUUCEWRRSA-N 2 1 286.419 3.795 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)c2ccc(F)cc2)[C@H](C)C1 ZINC000438122726 1122680177 /nfs/dbraw/zinc/68/01/77/1122680177.db2.gz WWZZWCXSQZGSKJ-RKVPGOIHSA-N 2 1 292.442 3.591 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)c2ccc(F)cc2)[C@H](C)C1 ZINC000438122726 1122680181 /nfs/dbraw/zinc/68/01/81/1122680181.db2.gz WWZZWCXSQZGSKJ-RKVPGOIHSA-N 2 1 292.442 3.591 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)c2ccc(F)cc2)[C@H](C)C1 ZINC000438122726 1122680184 /nfs/dbraw/zinc/68/01/84/1122680184.db2.gz WWZZWCXSQZGSKJ-RKVPGOIHSA-N 2 1 292.442 3.591 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cccc3ccccc32)[C@H](C)C1 ZINC000153675871 1129074653 /nfs/dbraw/zinc/07/46/53/1129074653.db2.gz QPMDFNYMCFJGJL-UZLBHIALSA-N 2 1 296.458 3.702 20 0 CHADMP CCC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167963805 1122760494 /nfs/dbraw/zinc/76/04/94/1122760494.db2.gz FAHLSGRZVPRURC-PDTIQJOESA-N 2 1 290.495 3.950 20 0 CHADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000518769907 1122790266 /nfs/dbraw/zinc/79/02/66/1122790266.db2.gz GYNLPJRANJSKFO-RKDXNWHRSA-N 2 1 294.748 3.574 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cc2ccccc2[nH]1 ZINC000775633125 1122838058 /nfs/dbraw/zinc/83/80/58/1122838058.db2.gz KZEBXRGOSVIJDR-AWEZNQCLSA-N 2 1 296.418 3.804 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CCCCC1 ZINC001167968990 1122851956 /nfs/dbraw/zinc/85/19/56/1122851956.db2.gz XUEZBXDRAGGUHT-FMJMRLDVSA-N 2 1 290.495 3.950 20 0 CHADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C)c(Cl)c1 ZINC001205693739 1122856372 /nfs/dbraw/zinc/85/63/72/1122856372.db2.gz ZCNYZNUGDQQKCT-UHFFFAOYSA-N 2 1 294.870 3.956 20 0 CHADMP CC1(C)CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167970830 1122861958 /nfs/dbraw/zinc/86/19/58/1122861958.db2.gz OLPURBSCKDRIHK-AYHJJNSGSA-N 2 1 290.495 3.950 20 0 CHADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CCCC13CCC3)C2 ZINC001167981906 1122897812 /nfs/dbraw/zinc/89/78/12/1122897812.db2.gz OTCZFEGNTKVGGA-FBVQUNGASA-N 2 1 288.479 3.704 20 0 CHADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cc(C)ccc1C ZINC001196944218 1122940994 /nfs/dbraw/zinc/94/09/94/1122940994.db2.gz UHOSXHKWNRHMFV-FUHWJXTLSA-N 2 1 274.452 3.828 20 0 CHADMP CCc1cccnc1[C@H](C)NCCC[N@H+]1CCCC[C@@H]1C ZINC000507483291 1122959231 /nfs/dbraw/zinc/95/92/31/1122959231.db2.gz GZDHMWFDEJMDKD-HOTGVXAUSA-N 2 1 289.467 3.559 20 0 CHADMP CCc1cccnc1[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000507483291 1122959233 /nfs/dbraw/zinc/95/92/33/1122959233.db2.gz GZDHMWFDEJMDKD-HOTGVXAUSA-N 2 1 289.467 3.559 20 0 CHADMP CCc1cccnc1[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000507483291 1122959237 /nfs/dbraw/zinc/95/92/37/1122959237.db2.gz GZDHMWFDEJMDKD-HOTGVXAUSA-N 2 1 289.467 3.559 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000507521749 1122963070 /nfs/dbraw/zinc/96/30/70/1122963070.db2.gz AKYFLHHPMCHXFE-NXOAAHMSSA-N 2 1 266.473 3.664 20 0 CHADMP CCC[C@H](C)CCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001197931068 1122974024 /nfs/dbraw/zinc/97/40/24/1122974024.db2.gz UXFZCQTVRBSLEJ-IRXDYDNUSA-N 2 1 289.467 3.809 20 0 CHADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CC[C@H]3CCC[C@@H]3C1)C2 ZINC001167986549 1122978364 /nfs/dbraw/zinc/97/83/64/1122978364.db2.gz GRCIOTUOUIPBDM-ZWRCUJBNSA-N 2 1 288.479 3.514 20 0 CHADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@@H+]1CC[C@H]3CCC[C@@H]3C1)C2 ZINC001167986549 1122978366 /nfs/dbraw/zinc/97/83/66/1122978366.db2.gz GRCIOTUOUIPBDM-ZWRCUJBNSA-N 2 1 288.479 3.514 20 0 CHADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@H+]1CC[C@H]3CCC[C@@H]3C1)C2 ZINC001167986549 1122978370 /nfs/dbraw/zinc/97/83/70/1122978370.db2.gz GRCIOTUOUIPBDM-ZWRCUJBNSA-N 2 1 288.479 3.514 20 0 CHADMP CCCCOc1ccccc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC001198960624 1123017850 /nfs/dbraw/zinc/01/78/50/1123017850.db2.gz YBCPXBGDBPUGHZ-UHFFFAOYSA-N 2 1 292.467 3.543 20 0 CHADMP CC(C)[C@H](C[NH2+]C1CCC(C)CC1)[NH+]1CCC(C)CC1 ZINC001199259560 1123025671 /nfs/dbraw/zinc/02/56/71/1123025671.db2.gz TVVUWLXVRRQLDG-VJFUWPCTSA-N 2 1 280.500 3.911 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001199761268 1123040049 /nfs/dbraw/zinc/04/00/49/1123040049.db2.gz WDZKNORLNQPJIX-NCOADZHNSA-N 2 1 280.500 3.911 20 0 CHADMP CCC[C@H](C)[C@H](CC)[NH2+]CCCCn1cc[nH+]c1C ZINC000164660989 1123044930 /nfs/dbraw/zinc/04/49/30/1123044930.db2.gz XWTOMUJICIIBII-HOCLYGCPSA-N 2 1 265.445 3.776 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c(C)cc(C)cc1C ZINC000105443622 1123052020 /nfs/dbraw/zinc/05/20/20/1123052020.db2.gz MVFREQBEZIDKQZ-CQSZACIVSA-N 2 1 285.435 3.543 20 0 CHADMP CC(C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000164960937 1123072486 /nfs/dbraw/zinc/07/24/86/1123072486.db2.gz GVZPDNZAPIZAIF-LZWOXQAQSA-N 2 1 280.481 3.765 20 0 CHADMP CC(C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000164960937 1123072490 /nfs/dbraw/zinc/07/24/90/1123072490.db2.gz GVZPDNZAPIZAIF-LZWOXQAQSA-N 2 1 280.481 3.765 20 0 CHADMP Cc1cccc([C@@H](C)[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000441325606 1123079004 /nfs/dbraw/zinc/07/90/04/1123079004.db2.gz CKUIYYACSZAIDR-AEFFLSMTSA-N 2 1 274.452 3.862 20 0 CHADMP Cc1cccc([C@@H](C)[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000441325606 1123079008 /nfs/dbraw/zinc/07/90/08/1123079008.db2.gz CKUIYYACSZAIDR-AEFFLSMTSA-N 2 1 274.452 3.862 20 0 CHADMP Cc1cccc([C@@H](C)[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000441325606 1123079015 /nfs/dbraw/zinc/07/90/15/1123079015.db2.gz CKUIYYACSZAIDR-AEFFLSMTSA-N 2 1 274.452 3.862 20 0 CHADMP C(CC1CCCC1)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441400339 1123085101 /nfs/dbraw/zinc/08/51/01/1123085101.db2.gz KURKZOMPEYRTPL-MJGOQNOKSA-N 2 1 290.495 3.906 20 0 CHADMP C(CC1CCCC1)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441400339 1123085106 /nfs/dbraw/zinc/08/51/06/1123085106.db2.gz KURKZOMPEYRTPL-MJGOQNOKSA-N 2 1 290.495 3.906 20 0 CHADMP C(CC1CCCC1)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441400339 1123085109 /nfs/dbraw/zinc/08/51/09/1123085109.db2.gz KURKZOMPEYRTPL-MJGOQNOKSA-N 2 1 290.495 3.906 20 0 CHADMP CCCC[N@@H+](CCC)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167993784 1123099374 /nfs/dbraw/zinc/09/93/74/1123099374.db2.gz SIQXGVZHYSEUIQ-JWTNVVGKSA-N 2 1 278.484 3.904 20 0 CHADMP CCCC[NH+](CCC)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167993784 1123099376 /nfs/dbraw/zinc/09/93/76/1123099376.db2.gz SIQXGVZHYSEUIQ-JWTNVVGKSA-N 2 1 278.484 3.904 20 0 CHADMP CCCC[NH+](CCC)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167993784 1123099379 /nfs/dbraw/zinc/09/93/79/1123099379.db2.gz SIQXGVZHYSEUIQ-JWTNVVGKSA-N 2 1 278.484 3.904 20 0 CHADMP CCC[C@@H](C)C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001201552086 1123118966 /nfs/dbraw/zinc/11/89/66/1123118966.db2.gz JHHGDKFQBZZRMM-IKGGRYGDSA-N 2 1 266.473 3.761 20 0 CHADMP CCC[C@@H](C)C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001201552086 1123118970 /nfs/dbraw/zinc/11/89/70/1123118970.db2.gz JHHGDKFQBZZRMM-IKGGRYGDSA-N 2 1 266.473 3.761 20 0 CHADMP CCC[C@@H](C)C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001201552086 1123118971 /nfs/dbraw/zinc/11/89/71/1123118971.db2.gz JHHGDKFQBZZRMM-IKGGRYGDSA-N 2 1 266.473 3.761 20 0 CHADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000268823872 1129100413 /nfs/dbraw/zinc/10/04/13/1129100413.db2.gz QEDIIYNKSQFKQQ-HNNXBMFYSA-N 2 1 277.799 3.586 20 0 CHADMP CC(C)[NH+]1CCC(C[N@@H+](C)CCCc2ccccc2)CC1 ZINC001201663982 1123136940 /nfs/dbraw/zinc/13/69/40/1123136940.db2.gz QZVBUZDVOYNTNX-UHFFFAOYSA-N 2 1 288.479 3.671 20 0 CHADMP CCCC[NH+]1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001201717195 1123140302 /nfs/dbraw/zinc/14/03/02/1123140302.db2.gz CSSHIODZJGYTIK-UHFFFAOYSA-N 2 1 278.415 3.522 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001201717195 1123140306 /nfs/dbraw/zinc/14/03/06/1123140306.db2.gz CSSHIODZJGYTIK-UHFFFAOYSA-N 2 1 278.415 3.522 20 0 CHADMP CCCCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001201735166 1123149699 /nfs/dbraw/zinc/14/96/99/1123149699.db2.gz KOXKAAVZUDQGHU-IBGZPJMESA-N 2 1 286.463 3.775 20 0 CHADMP CCCCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001201735166 1123149700 /nfs/dbraw/zinc/14/97/00/1123149700.db2.gz KOXKAAVZUDQGHU-IBGZPJMESA-N 2 1 286.463 3.775 20 0 CHADMP CCCCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001201735166 1123149705 /nfs/dbraw/zinc/14/97/05/1123149705.db2.gz KOXKAAVZUDQGHU-IBGZPJMESA-N 2 1 286.463 3.775 20 0 CHADMP CC(C)[NH+](CCC[NH2+][C@@H](C)c1cccs1)C(C)C ZINC000155820318 1129106140 /nfs/dbraw/zinc/10/61/40/1129106140.db2.gz JYCGDFHBEASWBT-AWEZNQCLSA-N 2 1 268.470 3.908 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)CC[C@H]2CC)C1 ZINC000430732712 1123213775 /nfs/dbraw/zinc/21/37/75/1123213775.db2.gz PYEXRVFNFFGMPE-QBPKDAKJSA-N 2 1 266.473 3.523 20 0 CHADMP Cc1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1Cl ZINC000507808563 1123215473 /nfs/dbraw/zinc/21/54/73/1123215473.db2.gz BELYIQWQXWBLBG-RDJZCZTQSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1Cl ZINC000507808563 1123215478 /nfs/dbraw/zinc/21/54/78/1123215478.db2.gz BELYIQWQXWBLBG-RDJZCZTQSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1Cl ZINC000507808563 1123215481 /nfs/dbraw/zinc/21/54/81/1123215481.db2.gz BELYIQWQXWBLBG-RDJZCZTQSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1Cl ZINC000507808563 1123215483 /nfs/dbraw/zinc/21/54/83/1123215483.db2.gz BELYIQWQXWBLBG-RDJZCZTQSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1Cl ZINC000507808563 1123215485 /nfs/dbraw/zinc/21/54/85/1123215485.db2.gz BELYIQWQXWBLBG-RDJZCZTQSA-N 2 1 292.854 3.565 20 0 CHADMP C[NH+]1CCC(C[N@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)CC1 ZINC000895125069 1123228218 /nfs/dbraw/zinc/22/82/18/1123228218.db2.gz JWXPBMHCDAGSHP-LJQANCHMSA-N 2 1 296.458 3.722 20 0 CHADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1cccc(C(F)(F)F)c1 ZINC000665249961 1123262549 /nfs/dbraw/zinc/26/25/49/1123262549.db2.gz CRYLQTPJFQFRDM-NSHDSACASA-N 2 1 286.341 3.628 20 0 CHADMP CC[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(Cl)s1 ZINC000665249463 1123263700 /nfs/dbraw/zinc/26/37/00/1123263700.db2.gz QZEAVNFZJQHMNS-SNVBAGLBSA-N 2 1 272.845 3.714 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2CC=CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011370 1123272533 /nfs/dbraw/zinc/27/25/33/1123272533.db2.gz OLTSLGSIZGTRAB-HGKCTWBKSA-N 2 1 284.447 3.736 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc2c(s1)CCCC2 ZINC000156292335 1129111794 /nfs/dbraw/zinc/11/17/94/1129111794.db2.gz VMVKNIRGBIPYGG-KBPBESRZSA-N 2 1 292.492 3.619 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc2c(s1)CCCC2 ZINC000156292335 1129111795 /nfs/dbraw/zinc/11/17/95/1129111795.db2.gz VMVKNIRGBIPYGG-KBPBESRZSA-N 2 1 292.492 3.619 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCC12CCCC2 ZINC000474031305 1123304470 /nfs/dbraw/zinc/30/44/70/1123304470.db2.gz IHHLPERERZQQID-CVEARBPZSA-N 2 1 264.457 3.563 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@@H](c2cccs2)C2CCCC2)CC1 ZINC000271820673 1129115529 /nfs/dbraw/zinc/11/55/29/1129115529.db2.gz CGJMWTGTLPWQMV-QGZVFWFLSA-N 2 1 290.476 3.831 20 0 CHADMP C(C[NH+]1CCC[C@H]1C1CCC1)C[N@H+]1CCC[C@H]1C1CCC1 ZINC000487422554 1123350424 /nfs/dbraw/zinc/35/04/24/1123350424.db2.gz ZHBIJKZGDWGOHZ-OALUTQOASA-N 2 1 290.495 3.906 20 0 CHADMP CC(C)[N@H+](CCC[NH+]1CCCCC1)C1CCCC1 ZINC000428270913 1123360856 /nfs/dbraw/zinc/36/08/56/1123360856.db2.gz BUSBHHAMXCCBKJ-UHFFFAOYSA-N 2 1 252.446 3.515 20 0 CHADMP CC(C)[N@@H+](CCC[NH+]1CCCCC1)C1CCCC1 ZINC000428270913 1123360860 /nfs/dbraw/zinc/36/08/60/1123360860.db2.gz BUSBHHAMXCCBKJ-UHFFFAOYSA-N 2 1 252.446 3.515 20 0 CHADMP c1cc2c(s1)CCC[C@@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000335427960 1123369191 /nfs/dbraw/zinc/36/91/91/1123369191.db2.gz IITZKRICHUYIOO-XUJLQICISA-N 2 1 290.476 3.732 20 0 CHADMP Cc1ccc(CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000272251393 1129117314 /nfs/dbraw/zinc/11/73/14/1129117314.db2.gz YHQCMFFOBLEEEL-SJLPKXTDSA-N 2 1 298.430 3.588 20 0 CHADMP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000272251393 1129117316 /nfs/dbraw/zinc/11/73/16/1129117316.db2.gz YHQCMFFOBLEEEL-SJLPKXTDSA-N 2 1 298.430 3.588 20 0 CHADMP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000272251393 1129117318 /nfs/dbraw/zinc/11/73/18/1129117318.db2.gz YHQCMFFOBLEEEL-SJLPKXTDSA-N 2 1 298.430 3.588 20 0 CHADMP Cc1ccc2cc[nH+]c(N3CCC([NH2+]C(C)C)CC3)c2c1 ZINC000335479570 1123377386 /nfs/dbraw/zinc/37/73/86/1123377386.db2.gz VWXMFUKXLFLGQV-UHFFFAOYSA-N 2 1 283.419 3.510 20 0 CHADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CC[C@](C)([NH3+])C1 ZINC001204762598 1123380245 /nfs/dbraw/zinc/38/02/45/1123380245.db2.gz ABKMZTGHQYHVCO-BEFAXECRSA-N 2 1 288.479 3.586 20 0 CHADMP C[C@H]([NH2+]CC=C(Cl)Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000851925839 1123389638 /nfs/dbraw/zinc/38/96/38/1123389638.db2.gz CFSWURVUSWJIDF-RYUDHWBXSA-N 2 1 291.266 3.548 20 0 CHADMP C[C@H]([NH2+]CC=C(Cl)Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000851925839 1123389642 /nfs/dbraw/zinc/38/96/42/1123389642.db2.gz CFSWURVUSWJIDF-RYUDHWBXSA-N 2 1 291.266 3.548 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2C(C)=CCC[C@H]2C)CC1 ZINC000443415773 1123394623 /nfs/dbraw/zinc/39/46/23/1123394623.db2.gz LYJJIBMZIOGICH-AEFFLSMTSA-N 2 1 278.484 3.785 20 0 CHADMP C[N@@H+](CCSc1cccc(Cl)c1)C1CCC([NH3+])CC1 ZINC000852741525 1123413641 /nfs/dbraw/zinc/41/36/41/1123413641.db2.gz UYKWCNBWECYSKL-UHFFFAOYSA-N 2 1 298.883 3.634 20 0 CHADMP [NH3+]CCCCCCC[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000852761994 1123414714 /nfs/dbraw/zinc/41/47/14/1123414714.db2.gz FCPJSQOHKJWHEZ-UHFFFAOYSA-N 2 1 272.436 3.517 20 0 CHADMP C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157119981 1129121736 /nfs/dbraw/zinc/12/17/36/1129121736.db2.gz NGHJARKRNMOHHV-YJBOKZPZSA-N 2 1 290.426 3.837 20 0 CHADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157119981 1129121738 /nfs/dbraw/zinc/12/17/38/1129121738.db2.gz NGHJARKRNMOHHV-YJBOKZPZSA-N 2 1 290.426 3.837 20 0 CHADMP CC1=CCC[C@H](C)[C@H]1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000443641869 1123456564 /nfs/dbraw/zinc/45/65/64/1123456564.db2.gz MRBLKZGEDCDJHB-WDSOQIARSA-N 2 1 290.495 3.643 20 0 CHADMP CC1=CCC[C@H](C)[C@H]1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000443641869 1123456567 /nfs/dbraw/zinc/45/65/67/1123456567.db2.gz MRBLKZGEDCDJHB-WDSOQIARSA-N 2 1 290.495 3.643 20 0 CHADMP CC1=CCC[C@H](C)[C@H]1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000443641869 1123456568 /nfs/dbraw/zinc/45/65/68/1123456568.db2.gz MRBLKZGEDCDJHB-WDSOQIARSA-N 2 1 290.495 3.643 20 0 CHADMP CSc1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)o1 ZINC000895683503 1123505387 /nfs/dbraw/zinc/50/53/87/1123505387.db2.gz MLTGRKROKVBFRI-UHFFFAOYSA-N 2 1 296.480 3.699 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1CCCC1 ZINC000474470102 1123536906 /nfs/dbraw/zinc/53/69/06/1123536906.db2.gz DPISJLAODJAHQC-JKSUJKDBSA-N 2 1 266.473 3.809 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000474485164 1123538838 /nfs/dbraw/zinc/53/88/38/1123538838.db2.gz CYKDXZGFMZIHQW-QLFBSQMISA-N 2 1 294.870 3.763 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@H+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC000429533650 1123561609 /nfs/dbraw/zinc/56/16/09/1123561609.db2.gz BVEUSLDNXDNXLI-NJELEJDNSA-N 2 1 292.854 3.769 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@@H+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC000429533650 1123561612 /nfs/dbraw/zinc/56/16/12/1123561612.db2.gz BVEUSLDNXDNXLI-NJELEJDNSA-N 2 1 292.854 3.769 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](c2ccccc2)C(C)C)C1 ZINC000474633562 1123562653 /nfs/dbraw/zinc/56/26/53/1123562653.db2.gz ZEBDNFBZAIHXDV-IEBWSBKVSA-N 2 1 288.479 3.748 20 0 CHADMP CC[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1OC ZINC000858095137 1123631239 /nfs/dbraw/zinc/63/12/39/1123631239.db2.gz LUXXPHAJHPKTCI-GOEBONIOSA-N 2 1 290.451 3.609 20 0 CHADMP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1OC ZINC000858095137 1123631241 /nfs/dbraw/zinc/63/12/41/1123631241.db2.gz LUXXPHAJHPKTCI-GOEBONIOSA-N 2 1 290.451 3.609 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)CC1(C)C ZINC000858320572 1123645282 /nfs/dbraw/zinc/64/52/82/1123645282.db2.gz DZDLHILKCLGQPQ-ZBFHGGJFSA-N 2 1 292.854 3.790 20 0 CHADMP C[C@H]([NH2+]C1CC(C)(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000395279768 1123654891 /nfs/dbraw/zinc/65/48/91/1123654891.db2.gz BPWGJWZXSIYWBL-DOTOQJQBSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H](CC[NH2+]C1CC(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000395297011 1123656962 /nfs/dbraw/zinc/65/69/62/1123656962.db2.gz OBMAVJCTEPEYQJ-HNNXBMFYSA-N 2 1 274.452 3.675 20 0 CHADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000858491629 1123657721 /nfs/dbraw/zinc/65/77/21/1123657721.db2.gz MDBWVIAOXBTRCG-HUUCEWRRSA-N 2 1 278.415 3.517 20 0 CHADMP CCc1ccc([C@H]([NH2+]CCn2cc[nH+]c2C)C(C)C)cc1 ZINC000346302271 1123678403 /nfs/dbraw/zinc/67/84/03/1123678403.db2.gz BCOZFZBZHKMOOB-GOSISDBHSA-N 2 1 285.435 3.741 20 0 CHADMP Cc1nccn1CC[N@H+](C)[C@H](C)c1ccc(C)cc1C ZINC000346302754 1123678828 /nfs/dbraw/zinc/67/88/28/1123678828.db2.gz FNARUEAESHOAPR-OAHLLOKOSA-N 2 1 271.408 3.501 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)c1ccc(C)cc1C ZINC000346302754 1123678837 /nfs/dbraw/zinc/67/88/37/1123678837.db2.gz FNARUEAESHOAPR-OAHLLOKOSA-N 2 1 271.408 3.501 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)c1ccc(C)cc1C ZINC000346302754 1123678841 /nfs/dbraw/zinc/67/88/41/1123678841.db2.gz FNARUEAESHOAPR-OAHLLOKOSA-N 2 1 271.408 3.501 20 0 CHADMP Cc1nccn1CC[N@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC000346302752 1123679009 /nfs/dbraw/zinc/67/90/09/1123679009.db2.gz FNARUEAESHOAPR-HNNXBMFYSA-N 2 1 271.408 3.501 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC000346302752 1123679011 /nfs/dbraw/zinc/67/90/11/1123679011.db2.gz FNARUEAESHOAPR-HNNXBMFYSA-N 2 1 271.408 3.501 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC000346302752 1123679015 /nfs/dbraw/zinc/67/90/15/1123679015.db2.gz FNARUEAESHOAPR-HNNXBMFYSA-N 2 1 271.408 3.501 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+]C1(c2ccccc2)CCCCC1 ZINC000346306565 1123679886 /nfs/dbraw/zinc/67/98/86/1123679886.db2.gz ISHPYTIZJWVQTI-UHFFFAOYSA-N 2 1 283.419 3.641 20 0 CHADMP CC[C@@H](Cc1ccccc1)[N@H+](CC)CCn1cc[nH+]c1C ZINC000346328838 1123681259 /nfs/dbraw/zinc/68/12/59/1123681259.db2.gz QTYVWVLOKKFBEE-SFHVURJKSA-N 2 1 285.435 3.535 20 0 CHADMP CC[C@@H](Cc1ccccc1)[N@@H+](CC)CCn1cc[nH+]c1C ZINC000346328838 1123681260 /nfs/dbraw/zinc/68/12/60/1123681260.db2.gz QTYVWVLOKKFBEE-SFHVURJKSA-N 2 1 285.435 3.535 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000346328770 1123681695 /nfs/dbraw/zinc/68/16/95/1123681695.db2.gz PYWWRQSGXASTFD-IBGZPJMESA-N 2 1 295.430 3.734 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000346328770 1123681697 /nfs/dbraw/zinc/68/16/97/1123681697.db2.gz PYWWRQSGXASTFD-IBGZPJMESA-N 2 1 295.430 3.734 20 0 CHADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000346693797 1123706848 /nfs/dbraw/zinc/70/68/48/1123706848.db2.gz PSWJWPMRSZPLPD-RHSMWYFYSA-N 2 1 298.405 3.662 20 0 CHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859929582 1123715601 /nfs/dbraw/zinc/71/56/01/1123715601.db2.gz CFINOEUTPGOGMG-LWYYNNOASA-N 2 1 298.474 3.596 20 0 CHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(-c4ccccc4)c3)C[C@H]12 ZINC000346821484 1123716821 /nfs/dbraw/zinc/71/68/21/1123716821.db2.gz AHBSEPIRPAPIFR-HSALFYBXSA-N 2 1 292.426 3.523 20 0 CHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CC1CC(F)(F)C1 ZINC000859996666 1123717807 /nfs/dbraw/zinc/71/78/07/1123717807.db2.gz DNHZNMAYXLGUFN-UHFFFAOYSA-N 2 1 296.405 3.615 20 0 CHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(-c4ccccc4)cs3)C[C@@H]12 ZINC000346826969 1123724432 /nfs/dbraw/zinc/72/44/32/1123724432.db2.gz FMBMURKANLASKO-BMGDILEWSA-N 2 1 298.455 3.584 20 0 CHADMP C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3)cc2F)CC[C@@H]1[NH3+] ZINC000347004059 1123742927 /nfs/dbraw/zinc/74/29/27/1123742927.db2.gz NEQTXBIDISMRTH-LIRRHRJNSA-N 2 1 298.405 3.662 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)cc2F)CC[C@@H]1[NH3+] ZINC000347004059 1123742930 /nfs/dbraw/zinc/74/29/30/1123742930.db2.gz NEQTXBIDISMRTH-LIRRHRJNSA-N 2 1 298.405 3.662 20 0 CHADMP Cc1cccc([C@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000444220094 1123772314 /nfs/dbraw/zinc/77/23/14/1123772314.db2.gz ZEAMFYYTYBYMQG-ROUUACIJSA-N 2 1 286.463 3.864 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000475131402 1123796636 /nfs/dbraw/zinc/79/66/36/1123796636.db2.gz RNSILQGMBSXIDN-DLBZAZTESA-N 2 1 276.468 3.539 20 0 CHADMP C[C@H](C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1)C1CCCCC1 ZINC000339037522 1123808391 /nfs/dbraw/zinc/80/83/91/1123808391.db2.gz NCANJIGSWBFTJF-GDBMZVCRSA-N 2 1 275.440 3.806 20 0 CHADMP Cc1oc2ccccc2c1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000925140167 1123823703 /nfs/dbraw/zinc/82/37/03/1123823703.db2.gz JAUWQMHBHVIGCI-IPYPFGDCSA-N 2 1 286.419 3.875 20 0 CHADMP Cc1oc2ccccc2c1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000925140167 1123823708 /nfs/dbraw/zinc/82/37/08/1123823708.db2.gz JAUWQMHBHVIGCI-IPYPFGDCSA-N 2 1 286.419 3.875 20 0 CHADMP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccccn1 ZINC000158556083 1129147648 /nfs/dbraw/zinc/14/76/48/1129147648.db2.gz MYTRHKFCDGGZDR-INIZCTEOSA-N 2 1 295.430 3.528 20 0 CHADMP CC[C@H](C[NH2+]C[C@@H](C)[NH+](CC)CC)c1ccccc1 ZINC000475362290 1123849913 /nfs/dbraw/zinc/84/99/13/1123849913.db2.gz VNNMWMCNKYVRLA-HZPDHXFCSA-N 2 1 262.441 3.500 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158698456 1129150567 /nfs/dbraw/zinc/15/05/67/1129150567.db2.gz RNQSWNDTVRPTIZ-KBAYOESNSA-N 2 1 290.426 3.693 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158698456 1129150569 /nfs/dbraw/zinc/15/05/69/1129150569.db2.gz RNQSWNDTVRPTIZ-KBAYOESNSA-N 2 1 290.426 3.693 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158698456 1129150573 /nfs/dbraw/zinc/15/05/73/1129150573.db2.gz RNQSWNDTVRPTIZ-KBAYOESNSA-N 2 1 290.426 3.693 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC000037643637 1129151906 /nfs/dbraw/zinc/15/19/06/1129151906.db2.gz SMVFVMPBMKWCCA-IPJUCJBFSA-N 2 1 286.463 3.644 20 0 CHADMP Cc1cc[nH+]c(NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000301650316 1123920258 /nfs/dbraw/zinc/92/02/58/1123920258.db2.gz RSNJOTCXBREUBQ-UHFFFAOYSA-N 2 1 295.430 3.775 20 0 CHADMP CCc1c(C)[nH+]c2ccccc2c1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000302031908 1123951043 /nfs/dbraw/zinc/95/10/43/1123951043.db2.gz KHJWLYCINHVOMP-HNNXBMFYSA-N 2 1 297.446 3.859 20 0 CHADMP C[NH+]1CCC(CNc2cc[nH+]c3ccc(Cl)cc23)CC1 ZINC000302800177 1123983392 /nfs/dbraw/zinc/98/33/92/1123983392.db2.gz BWQBZDXJGAWWMT-UHFFFAOYSA-N 2 1 289.810 3.642 20 0 CHADMP CC(C)[NH+](CCC[NH2+][C@H]1CCCc2ncccc21)C(C)C ZINC000631586892 1124015307 /nfs/dbraw/zinc/01/53/07/1124015307.db2.gz ZPYGFCHRNIOSAJ-SFHVURJKSA-N 2 1 289.467 3.558 20 0 CHADMP Cc1cccc(C[C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000866275161 1124045608 /nfs/dbraw/zinc/04/56/08/1124045608.db2.gz XZDPYQDFALUEPD-BPIHKTFHSA-N 2 1 286.463 3.531 20 0 CHADMP Cc1cccc(C[C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000866275161 1124045611 /nfs/dbraw/zinc/04/56/11/1124045611.db2.gz XZDPYQDFALUEPD-BPIHKTFHSA-N 2 1 286.463 3.531 20 0 CHADMP CCc1ccccc1CC[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000444647404 1124048503 /nfs/dbraw/zinc/04/85/03/1124048503.db2.gz FBIIKHMWDUPKJU-LPHOPBHVSA-N 2 1 288.479 3.596 20 0 CHADMP CCc1ccccc1CC[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000444647404 1124048506 /nfs/dbraw/zinc/04/85/06/1124048506.db2.gz FBIIKHMWDUPKJU-LPHOPBHVSA-N 2 1 288.479 3.596 20 0 CHADMP CCc1ccccc1CC[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000444647404 1124048509 /nfs/dbraw/zinc/04/85/09/1124048509.db2.gz FBIIKHMWDUPKJU-LPHOPBHVSA-N 2 1 288.479 3.596 20 0 CHADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CC[C@](C)(c4ccccc4)C3)CC[C@@H]21 ZINC000866586006 1124084826 /nfs/dbraw/zinc/08/48/26/1124084826.db2.gz ZBZASONKHPLYNT-LMCOJAPRSA-N 2 1 298.474 3.523 20 0 CHADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CC[C@](C)(c4ccccc4)C3)CC[C@@H]21 ZINC000866586006 1124084829 /nfs/dbraw/zinc/08/48/29/1124084829.db2.gz ZBZASONKHPLYNT-LMCOJAPRSA-N 2 1 298.474 3.523 20 0 CHADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CC[C@](C)(c4ccccc4)C3)CC[C@@H]21 ZINC000866586006 1124084832 /nfs/dbraw/zinc/08/48/32/1124084832.db2.gz ZBZASONKHPLYNT-LMCOJAPRSA-N 2 1 298.474 3.523 20 0 CHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC2(CCCC2)C1 ZINC000445875015 1124105617 /nfs/dbraw/zinc/10/56/17/1124105617.db2.gz MAPZGLOILTVRQI-MRXNPFEDSA-N 2 1 264.457 3.517 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]CCCC(C)C)c1 ZINC000525869990 1124476951 /nfs/dbraw/zinc/47/69/51/1124476951.db2.gz HZBWDEUPXGFYEN-UHFFFAOYSA-N 2 1 262.441 3.664 20 0 CHADMP CC(C)c1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000447517692 1124479492 /nfs/dbraw/zinc/47/94/92/1124479492.db2.gz LYPWNHQMPHWHSB-YQQQUEKLSA-N 2 1 286.463 3.567 20 0 CHADMP CC(C)[C@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccccc21 ZINC000447575286 1124496035 /nfs/dbraw/zinc/49/60/35/1124496035.db2.gz RNZUTTQWCVTYSV-RTBURBONSA-N 2 1 284.447 3.723 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(Cl)c2)C[C@@H]1C ZINC000447723892 1124515920 /nfs/dbraw/zinc/51/59/20/1124515920.db2.gz RWYAITBWYFWNPN-HOCLYGCPSA-N 2 1 294.870 3.953 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(Cl)c2)C[C@@H]1C ZINC000447723892 1124515929 /nfs/dbraw/zinc/51/59/29/1124515929.db2.gz RWYAITBWYFWNPN-HOCLYGCPSA-N 2 1 294.870 3.953 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)c(Cl)c2)C[C@@H]1C ZINC000447723892 1124515937 /nfs/dbraw/zinc/51/59/37/1124515937.db2.gz RWYAITBWYFWNPN-HOCLYGCPSA-N 2 1 294.870 3.953 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)c(Cl)c2)C[C@@H]1C ZINC000447723892 1124515942 /nfs/dbraw/zinc/51/59/42/1124515942.db2.gz RWYAITBWYFWNPN-HOCLYGCPSA-N 2 1 294.870 3.953 20 0 CHADMP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449091053 1124648968 /nfs/dbraw/zinc/64/89/68/1124648968.db2.gz OZTVGBVUVSAXRB-DJIMGWMZSA-N 2 1 298.430 3.580 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2C[C@H](C)CC[C@@H]2C)C1 ZINC000449129623 1124652533 /nfs/dbraw/zinc/65/25/33/1124652533.db2.gz CYNZLLUTJXIFBG-TWMKSMIVSA-N 2 1 266.473 3.521 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@H]1CCCC[C@H]1C ZINC000449165732 1124662738 /nfs/dbraw/zinc/66/27/38/1124662738.db2.gz XKRFGFPLCBTNGY-INMHGKMJSA-N 2 1 277.456 3.776 20 0 CHADMP C/C(Cl)=C/C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000528436880 1124666011 /nfs/dbraw/zinc/66/60/11/1124666011.db2.gz GMXGNHMGLBNGPF-FSBNRTBOSA-N 2 1 289.810 3.974 20 0 CHADMP C[C@H](Cc1ccoc1)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000449302799 1124686727 /nfs/dbraw/zinc/68/67/27/1124686727.db2.gz WEGORMSDMBWEFD-QAPCUYQASA-N 2 1 290.451 3.597 20 0 CHADMP Cc1ccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c(C)c1 ZINC000449378329 1124716054 /nfs/dbraw/zinc/71/60/54/1124716054.db2.gz QYYAWXDSAXUXHK-ZWKOTPCHSA-N 2 1 298.474 3.551 20 0 CHADMP CC[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449482468 1124763332 /nfs/dbraw/zinc/76/33/32/1124763332.db2.gz BVPHBNLMYDEAQW-NQYYFHDYSA-N 2 1 286.463 3.675 20 0 CHADMP CC[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449482468 1124763341 /nfs/dbraw/zinc/76/33/41/1124763341.db2.gz BVPHBNLMYDEAQW-NQYYFHDYSA-N 2 1 286.463 3.675 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449559857 1124801871 /nfs/dbraw/zinc/80/18/71/1124801871.db2.gz CYUIFWZXCIKCTF-MQVJKMGUSA-N 2 1 292.854 3.672 20 0 CHADMP CCc1cccc(Cl)c1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561213 1124802513 /nfs/dbraw/zinc/80/25/13/1124802513.db2.gz SFIIXQGDXKISMO-GOOCMWNKSA-N 2 1 292.854 3.617 20 0 CHADMP CCCC[C@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560031 1124803165 /nfs/dbraw/zinc/80/31/65/1124803165.db2.gz FFNAZKBGWKNSCH-MKXAEBJUSA-N 2 1 264.457 3.560 20 0 CHADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000449561017 1124804003 /nfs/dbraw/zinc/80/40/03/1124804003.db2.gz RPHBFOWACFGCKQ-HLKUOHOZSA-N 2 1 298.474 3.846 20 0 CHADMP CC1(C)CCC[N@@H+]1CC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000449781338 1124869598 /nfs/dbraw/zinc/86/95/98/1124869598.db2.gz HZYNARYLDOUGPX-UHFFFAOYSA-N 2 1 292.389 3.572 20 0 CHADMP CC1(C)CCC[N@H+]1CC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000449781338 1124869619 /nfs/dbraw/zinc/86/96/19/1124869619.db2.gz HZYNARYLDOUGPX-UHFFFAOYSA-N 2 1 292.389 3.572 20 0 CHADMP C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1csc(Cl)c1 ZINC000300422196 1124904659 /nfs/dbraw/zinc/90/46/59/1124904659.db2.gz WKOTUWGZCIYVPJ-SCVCMEIPSA-N 2 1 272.845 3.535 20 0 CHADMP C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1csc(Cl)c1 ZINC000300422196 1124904665 /nfs/dbraw/zinc/90/46/65/1124904665.db2.gz WKOTUWGZCIYVPJ-SCVCMEIPSA-N 2 1 272.845 3.535 20 0 CHADMP C[C@H](C[NH2+][C@@H](C)c1ccnc(Cl)c1)C[NH+]1CCCCC1 ZINC000125617680 1124908116 /nfs/dbraw/zinc/90/81/16/1124908116.db2.gz GRIQOYBIUGHKNO-KGLIPLIRSA-N 2 1 295.858 3.508 20 0 CHADMP Cc1cccc(NC[C@@H]2CC[N@H+](CC3=CCCCC3)C2)[nH+]1 ZINC000450425627 1125016443 /nfs/dbraw/zinc/01/64/43/1125016443.db2.gz NSXYTNKXXPOTQX-KRWDZBQOSA-N 2 1 285.435 3.624 20 0 CHADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC3=CCCCC3)C2)[nH+]1 ZINC000450425627 1125016452 /nfs/dbraw/zinc/01/64/52/1125016452.db2.gz NSXYTNKXXPOTQX-KRWDZBQOSA-N 2 1 285.435 3.624 20 0 CHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CCCCC1(F)F ZINC000450439371 1125026889 /nfs/dbraw/zinc/02/68/89/1125026889.db2.gz MLWOKNKTYPXDHW-GJZGRUSLSA-N 2 1 288.426 3.618 20 0 CHADMP C1=C(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCCC1 ZINC000450604148 1125064455 /nfs/dbraw/zinc/06/44/55/1125064455.db2.gz VTCQCLOMGTZPMB-PKOBYXMFSA-N 2 1 288.479 3.826 20 0 CHADMP Cc1nccn1CCC[N@H+](C)CC/C=C\c1ccccc1 ZINC000450604690 1125064580 /nfs/dbraw/zinc/06/45/80/1125064580.db2.gz XKAANOYZKBNPRL-WDZFZDKYSA-N 2 1 283.419 3.617 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC/C=C\c1ccccc1 ZINC000450604690 1125064588 /nfs/dbraw/zinc/06/45/88/1125064588.db2.gz XKAANOYZKBNPRL-WDZFZDKYSA-N 2 1 283.419 3.617 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC/C=C\c1ccccc1 ZINC000450604690 1125064597 /nfs/dbraw/zinc/06/45/97/1125064597.db2.gz XKAANOYZKBNPRL-WDZFZDKYSA-N 2 1 283.419 3.617 20 0 CHADMP CCCCc1ccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000392271531 1125144483 /nfs/dbraw/zinc/14/44/83/1125144483.db2.gz LYMXWDNRRCRFKP-INIZCTEOSA-N 2 1 286.463 3.942 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)cc(C)c2)C[C@@H]1C ZINC000530662677 1125170117 /nfs/dbraw/zinc/17/01/17/1125170117.db2.gz DJXGVFNDUQEQTB-WMZOPIPTSA-N 2 1 274.452 3.608 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)cc(C)c2)C[C@@H]1C ZINC000530662677 1125170122 /nfs/dbraw/zinc/17/01/22/1125170122.db2.gz DJXGVFNDUQEQTB-WMZOPIPTSA-N 2 1 274.452 3.608 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)cc(C)c2)C[C@@H]1C ZINC000530662677 1125170124 /nfs/dbraw/zinc/17/01/24/1125170124.db2.gz DJXGVFNDUQEQTB-WMZOPIPTSA-N 2 1 274.452 3.608 20 0 CHADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc2ccccc21 ZINC000530724064 1125176619 /nfs/dbraw/zinc/17/66/19/1125176619.db2.gz DSZNMHFYUQXEKW-MOPGFXCFSA-N 2 1 294.442 3.898 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)CCc2ccc3ccccc3c2)CC[N@@H+]1C ZINC000531142953 1125196280 /nfs/dbraw/zinc/19/62/80/1125196280.db2.gz GTIPHWZAXVNAPE-UZLBHIALSA-N 2 1 296.458 3.797 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)CCc2ccc3ccccc3c2)CC[N@H+]1C ZINC000531142953 1125196287 /nfs/dbraw/zinc/19/62/87/1125196287.db2.gz GTIPHWZAXVNAPE-UZLBHIALSA-N 2 1 296.458 3.797 20 0 CHADMP C[C@@H]1C[C@@H]([N@H+](C)CCc2ccc3ccccc3c2)CC[NH+]1C ZINC000531142953 1125196290 /nfs/dbraw/zinc/19/62/90/1125196290.db2.gz GTIPHWZAXVNAPE-UZLBHIALSA-N 2 1 296.458 3.797 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCc2ccc3ccccc3c2)CC[NH+]1C ZINC000531142953 1125196294 /nfs/dbraw/zinc/19/62/94/1125196294.db2.gz GTIPHWZAXVNAPE-UZLBHIALSA-N 2 1 296.458 3.797 20 0 CHADMP Cc1occc1C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000320917889 1125218033 /nfs/dbraw/zinc/21/80/33/1125218033.db2.gz JXNYQLHDZKECMT-LJQANCHMSA-N 2 1 298.430 3.590 20 0 CHADMP Cc1occc1C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000320917889 1125218038 /nfs/dbraw/zinc/21/80/38/1125218038.db2.gz JXNYQLHDZKECMT-LJQANCHMSA-N 2 1 298.430 3.590 20 0 CHADMP CC[C@H](C[NH2+][C@@H](C)CCC=C(C)C)[NH+]1CCCC1 ZINC000532195431 1125239399 /nfs/dbraw/zinc/23/93/99/1125239399.db2.gz JASGQQNUAZELOP-JKSUJKDBSA-N 2 1 252.446 3.585 20 0 CHADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001168152870 1125277913 /nfs/dbraw/zinc/27/79/13/1125277913.db2.gz BPUKFFVFXKPBDL-JQFCIGGWSA-N 2 1 294.870 3.733 20 0 CHADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001168152869 1125277935 /nfs/dbraw/zinc/27/79/35/1125277935.db2.gz BPUKFFVFXKPBDL-COXVUDFISA-N 2 1 294.870 3.733 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000398044364 1125332925 /nfs/dbraw/zinc/33/29/25/1125332925.db2.gz UVHLUOUCHQZIKH-GGPKGHCWSA-N 2 1 298.474 3.843 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC1(C)C ZINC000398181130 1125336968 /nfs/dbraw/zinc/33/69/68/1125336968.db2.gz HTRDCGWYHGKDPR-NJAFHUGGSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC1(C)C ZINC000398181130 1125336971 /nfs/dbraw/zinc/33/69/71/1125336971.db2.gz HTRDCGWYHGKDPR-NJAFHUGGSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)c(F)c1 ZINC000212785043 1125354458 /nfs/dbraw/zinc/35/44/58/1125354458.db2.gz MIRWXKCCARMSDT-MDZLAQPJSA-N 2 1 284.806 3.612 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)c(F)c1 ZINC000212785043 1125354461 /nfs/dbraw/zinc/35/44/61/1125354461.db2.gz MIRWXKCCARMSDT-MDZLAQPJSA-N 2 1 284.806 3.612 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H]([NH3+])c3ccccc31)CC2 ZINC000643468912 1125367872 /nfs/dbraw/zinc/36/78/72/1125367872.db2.gz JATAYUBVSRGTPN-OTWHNJEPSA-N 2 1 278.399 3.717 20 0 CHADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1sccc1Cl ZINC000883182558 1125374964 /nfs/dbraw/zinc/37/49/64/1125374964.db2.gz FTRPQRJINTWEAP-GFCCVEGCSA-N 2 1 283.828 3.647 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1sccc1Cl ZINC000883188864 1125375503 /nfs/dbraw/zinc/37/55/03/1125375503.db2.gz RZBPJVYSRRUKOB-WCQYABFASA-N 2 1 286.872 3.784 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1sccc1Cl ZINC000883188864 1125375504 /nfs/dbraw/zinc/37/55/04/1125375504.db2.gz RZBPJVYSRRUKOB-WCQYABFASA-N 2 1 286.872 3.784 20 0 CHADMP C1=C[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000883236914 1125381964 /nfs/dbraw/zinc/38/19/64/1125381964.db2.gz MZRQLKCOPFVHCV-PKOBYXMFSA-N 2 1 296.458 3.739 20 0 CHADMP C1=C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000883236914 1125381968 /nfs/dbraw/zinc/38/19/68/1125381968.db2.gz MZRQLKCOPFVHCV-PKOBYXMFSA-N 2 1 296.458 3.739 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000044533378 1125394190 /nfs/dbraw/zinc/39/41/90/1125394190.db2.gz MVGOTKWTUYGPKP-SUMWQHHRSA-N 2 1 292.854 3.723 20 0 CHADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044533261 1125394244 /nfs/dbraw/zinc/39/42/44/1125394244.db2.gz IBZRSJIIYBJCFH-SJORKVTESA-N 2 1 288.479 3.674 20 0 CHADMP CC1CCC([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168206610 1125411708 /nfs/dbraw/zinc/41/17/08/1125411708.db2.gz XGUXDCSRCVWEBW-WFDLSTEJSA-N 2 1 264.457 3.547 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1CC([NH2+]Cc1cccc(Cl)c1F)C2 ZINC000125160112 1125445555 /nfs/dbraw/zinc/44/55/55/1125445555.db2.gz HUBPDQSUHGFFOY-AGUYFDCRSA-N 2 1 296.817 3.584 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1CC([NH2+]Cc1cccc(Cl)c1F)C2 ZINC000125160112 1125445560 /nfs/dbraw/zinc/44/55/60/1125445560.db2.gz HUBPDQSUHGFFOY-AGUYFDCRSA-N 2 1 296.817 3.584 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C1CCCCCC1 ZINC000125433166 1125448712 /nfs/dbraw/zinc/44/87/12/1125448712.db2.gz IVFYPCMSFUKINW-UHFFFAOYSA-N 2 1 263.429 3.626 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)C1CCCCCC1 ZINC000125433166 1125448716 /nfs/dbraw/zinc/44/87/16/1125448716.db2.gz IVFYPCMSFUKINW-UHFFFAOYSA-N 2 1 263.429 3.626 20 0 CHADMP CCS[C@@H]1CC[C@H]([N@H+](C)CCCCn2cc[nH+]c2C)C1 ZINC000125537427 1125450066 /nfs/dbraw/zinc/45/00/66/1125450066.db2.gz KTHLJBZTSWDZPX-JKSUJKDBSA-N 2 1 295.496 3.578 20 0 CHADMP CCS[C@@H]1CC[C@H]([N@@H+](C)CCCCn2cc[nH+]c2C)C1 ZINC000125537427 1125450068 /nfs/dbraw/zinc/45/00/68/1125450068.db2.gz KTHLJBZTSWDZPX-JKSUJKDBSA-N 2 1 295.496 3.578 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1(C)CC1 ZINC000126871061 1125456746 /nfs/dbraw/zinc/45/67/46/1125456746.db2.gz UMTULRGNTZTJRK-GJZGRUSLSA-N 2 1 292.492 3.738 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1(C)CC1 ZINC000126871061 1125456752 /nfs/dbraw/zinc/45/67/52/1125456752.db2.gz UMTULRGNTZTJRK-GJZGRUSLSA-N 2 1 292.492 3.738 20 0 CHADMP CCCCC[C@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089595002 1129241635 /nfs/dbraw/zinc/24/16/35/1129241635.db2.gz GKSIAUVFXORJMO-KRWDZBQOSA-N 2 1 296.499 3.580 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000638303940 1129252837 /nfs/dbraw/zinc/25/28/37/1129252837.db2.gz WUZONRAEJOFUHV-FNHZYXHNSA-N 2 1 284.447 3.743 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000638303940 1129252839 /nfs/dbraw/zinc/25/28/39/1129252839.db2.gz WUZONRAEJOFUHV-FNHZYXHNSA-N 2 1 284.447 3.743 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@H]2CC2(F)F)c1 ZINC000638434203 1129258784 /nfs/dbraw/zinc/25/87/84/1129258784.db2.gz JDDYVINGAIHFSS-CZUORRHYSA-N 2 1 296.405 3.660 20 0 CHADMP C[C@@H](CC[NH2+][C@@H](C)[C@@H]1CC1(F)F)[N@@H+](C)Cc1ccccc1 ZINC000638726146 1129267727 /nfs/dbraw/zinc/26/77/27/1129267727.db2.gz KDMOZSJYRTVUKX-DZKIICNBSA-N 2 1 296.405 3.530 20 0 CHADMP CC1([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCC1 ZINC000638889565 1129274226 /nfs/dbraw/zinc/27/42/26/1129274226.db2.gz BYJBKNSIESKCMU-SJLPKXTDSA-N 2 1 284.447 3.887 20 0 CHADMP CC1([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCC1 ZINC000638889565 1129274230 /nfs/dbraw/zinc/27/42/30/1129274230.db2.gz BYJBKNSIESKCMU-SJLPKXTDSA-N 2 1 284.447 3.887 20 0 CHADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(Cl)cc1 ZINC000348041598 1129276117 /nfs/dbraw/zinc/27/61/17/1129276117.db2.gz HVUZBLDYKZSTOW-MRXNPFEDSA-N 2 1 280.843 3.646 20 0 CHADMP CSc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000348043630 1129276230 /nfs/dbraw/zinc/27/62/30/1129276230.db2.gz OAZAKDJLOQHWLM-OBJOEFQTSA-N 2 1 296.455 3.681 20 0 CHADMP CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000348084796 1129279730 /nfs/dbraw/zinc/27/97/30/1129279730.db2.gz LZUOOJWIXHJZJG-GDBMZVCRSA-N 2 1 287.382 3.598 20 0 CHADMP C[C@H]1C[N@@H+](CCCc2cccc(Cl)c2)CCC[C@@H]1C[NH3+] ZINC001205985676 1129350654 /nfs/dbraw/zinc/35/06/54/1129350654.db2.gz ZRXKCMCLLVGQBP-GOEBONIOSA-N 2 1 294.870 3.579 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206606313 1129380932 /nfs/dbraw/zinc/38/09/32/1129380932.db2.gz KDKVKLFNGQJVAA-IRXDYDNUSA-N 2 1 266.473 3.820 20 0 CHADMP C[NH+](C)Cc1cnc(C[NH2+]CC2CCCCCCC2)s1 ZINC000796272480 1129507469 /nfs/dbraw/zinc/50/74/69/1129507469.db2.gz ZYTNZYKVJSJLHE-UHFFFAOYSA-N 2 1 295.496 3.655 20 0 CHADMP C[C@H]1C[C@H]([N@@H+](C)CCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001258696928 1129517111 /nfs/dbraw/zinc/51/71/11/1129517111.db2.gz IAOAFHCEXPYWPK-HOTGVXAUSA-N 2 1 266.473 3.619 20 0 CHADMP CC[C@@H]1C[N@@H+](Cc2cc3cc(C)c(C)cc3o2)CC[C@@H]1[NH3+] ZINC000647498327 1129579338 /nfs/dbraw/zinc/57/93/38/1129579338.db2.gz FMGZIRXGCAAAGJ-PBHICJAKSA-N 2 1 286.419 3.609 20 0 CHADMP Cc1ccccc1C[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000647879531 1129586821 /nfs/dbraw/zinc/58/68/21/1129586821.db2.gz IDFYABIVHLBXJE-LJQANCHMSA-N 2 1 294.442 3.607 20 0 CHADMP C[C@H](c1ccccc1F)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975933 1129590774 /nfs/dbraw/zinc/59/07/74/1129590774.db2.gz HXFYNQPXXKMWSA-BZUAXINKSA-N 2 1 290.426 3.598 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CC[C@@H](C)c2ccccc2)C1 ZINC000194422966 1129647065 /nfs/dbraw/zinc/64/70/65/1129647065.db2.gz VJBXALKRSQCTAC-QZTJIDSGSA-N 2 1 288.479 3.890 20 0 CHADMP CC(C)C[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001169058171 1129693871 /nfs/dbraw/zinc/69/38/71/1129693871.db2.gz DIIPOHIJPVOJEQ-OALUTQOASA-N 2 1 288.479 3.718 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCC(c3ccccc3)CC1)C2 ZINC001169094522 1129696292 /nfs/dbraw/zinc/69/62/92/1129696292.db2.gz MCNLSOSCQXBROW-ZYUSWAADSA-N 2 1 298.474 3.928 20 0 CHADMP CC(C)[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1F ZINC001169101122 1129697284 /nfs/dbraw/zinc/69/72/84/1129697284.db2.gz OQWYQXVDAAGYQS-BASYENTBSA-N 2 1 290.426 3.738 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](C(C)(C)C)CC1)C2 ZINC001169100968 1129697368 /nfs/dbraw/zinc/69/73/68/1129697368.db2.gz NCJRMJGGGYDEAB-YQLLOFTFSA-N 2 1 278.484 3.806 20 0 CHADMP CCC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC001169101261 1129697544 /nfs/dbraw/zinc/69/75/44/1129697544.db2.gz PYSUKLJCUVKTSX-XMTFNYHQSA-N 2 1 290.426 3.882 20 0 CHADMP CCc1ccc([C@@H](CC)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169120163 1129700501 /nfs/dbraw/zinc/70/05/01/1129700501.db2.gz YZOONMLALYTORT-AKHDSKFASA-N 2 1 286.463 3.915 20 0 CHADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(C)cc(C)c1 ZINC001169118381 1129700773 /nfs/dbraw/zinc/70/07/73/1129700773.db2.gz IVHOSJRHCAUXAW-OKYOBFRVSA-N 2 1 286.463 3.969 20 0 CHADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(F)cc(Cl)c1 ZINC001169123786 1129701542 /nfs/dbraw/zinc/70/15/42/1129701542.db2.gz MWGYJZIWLKRBNV-HGGPSHQYSA-N 2 1 296.817 3.755 20 0 CHADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(F)cc(Cl)c1 ZINC001169123786 1129701544 /nfs/dbraw/zinc/70/15/44/1129701544.db2.gz MWGYJZIWLKRBNV-HGGPSHQYSA-N 2 1 296.817 3.755 20 0 CHADMP CCCCC1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169112798 1129703702 /nfs/dbraw/zinc/70/37/02/1129703702.db2.gz STVOAVBCNLKSOB-GWDNYDDXSA-N 2 1 278.484 3.950 20 0 CHADMP CCc1cccc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)[nH+]1 ZINC001169151699 1129705427 /nfs/dbraw/zinc/70/54/27/1129705427.db2.gz LXZGFWNWCDIKBK-PBHICJAKSA-N 2 1 275.440 3.600 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccc3ccsc3c2)CCC[C@H]1C[NH3+] ZINC001206013074 1129738045 /nfs/dbraw/zinc/73/80/45/1129738045.db2.gz PELVTRXVTOOVMD-CJNGLKHVSA-N 2 1 288.460 3.708 20 0 CHADMP Cc1cc(Cl)cc(Cl)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246198969 1131395303 /nfs/dbraw/zinc/39/53/03/1131395303.db2.gz RPSAVYFWEHCPEF-FUNVUKJBSA-N 2 1 299.245 3.674 20 0 CHADMP c1ccc(CC[NH+]2CCC([NH2+]C3(C4CCC4)CC3)CC2)cc1 ZINC000651984155 1129755352 /nfs/dbraw/zinc/75/53/52/1129755352.db2.gz VGTZJQKFBJGKKS-UHFFFAOYSA-N 2 1 298.474 3.616 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC000653777474 1129795728 /nfs/dbraw/zinc/79/57/28/1129795728.db2.gz NBVAQVUDWZKWEE-DOTOQJQBSA-N 2 1 289.467 3.501 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC000653777474 1129795730 /nfs/dbraw/zinc/79/57/30/1129795730.db2.gz NBVAQVUDWZKWEE-DOTOQJQBSA-N 2 1 289.467 3.501 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCCC(F)(F)C1 ZINC001258908577 1129845310 /nfs/dbraw/zinc/84/53/10/1129845310.db2.gz XSCSAOZMMGCGGW-AWEZNQCLSA-N 2 1 276.415 3.618 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCCC(F)(F)C1 ZINC001258908577 1129845316 /nfs/dbraw/zinc/84/53/16/1129845316.db2.gz XSCSAOZMMGCGGW-AWEZNQCLSA-N 2 1 276.415 3.618 20 0 CHADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001461172261 1129906002 /nfs/dbraw/zinc/90/60/02/1129906002.db2.gz RXWZDBPGLFDZPH-XMTFNYHQSA-N 2 1 278.484 3.809 20 0 CHADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001461172261 1129906004 /nfs/dbraw/zinc/90/60/04/1129906004.db2.gz RXWZDBPGLFDZPH-XMTFNYHQSA-N 2 1 278.484 3.809 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cncc3ccccc32)C[C@H]1C ZINC000769470318 1129912718 /nfs/dbraw/zinc/91/27/18/1129912718.db2.gz LJYVDOYWCSOSLL-QAPCUYQASA-N 2 1 297.446 3.539 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cncc3ccccc32)C[C@H]1C ZINC000769470318 1129912719 /nfs/dbraw/zinc/91/27/19/1129912719.db2.gz LJYVDOYWCSOSLL-QAPCUYQASA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cncc3ccccc32)C[C@H]1C ZINC000769470318 1129912721 /nfs/dbraw/zinc/91/27/21/1129912721.db2.gz LJYVDOYWCSOSLL-QAPCUYQASA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cncc3ccccc32)C[C@H]1C ZINC000769470318 1129912723 /nfs/dbraw/zinc/91/27/23/1129912723.db2.gz LJYVDOYWCSOSLL-QAPCUYQASA-N 2 1 297.446 3.539 20 0 CHADMP Cc1cccc(NC2CCC([NH+]3CCCCC3)CC2)[nH+]1 ZINC000771755470 1129989128 /nfs/dbraw/zinc/98/91/28/1129989128.db2.gz BDPHRUJEKHSMAS-UHFFFAOYSA-N 2 1 273.424 3.599 20 0 CHADMP COc1ccccc1-c1ccc([C@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902416809 1130008446 /nfs/dbraw/zinc/00/84/46/1130008446.db2.gz OOMISPITUUXDPU-AWEZNQCLSA-N 2 1 296.414 3.504 20 0 CHADMP Clc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903055290 1130106171 /nfs/dbraw/zinc/10/61/71/1130106171.db2.gz BDBWVWQZIQJOAB-VHRNVKJDSA-N 2 1 290.838 3.587 20 0 CHADMP Clc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903055290 1130106173 /nfs/dbraw/zinc/10/61/73/1130106173.db2.gz BDBWVWQZIQJOAB-VHRNVKJDSA-N 2 1 290.838 3.587 20 0 CHADMP C[C@H](CCC(C)(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903099049 1130111581 /nfs/dbraw/zinc/11/15/81/1130111581.db2.gz XUAVKJGVXNJEHN-ZBSSRIJBSA-N 2 1 278.484 3.949 20 0 CHADMP CC[C@@H](C)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903117988 1130115281 /nfs/dbraw/zinc/11/52/81/1130115281.db2.gz CNPBODJJOITTRD-AZGATIOISA-N 2 1 264.457 3.559 20 0 CHADMP CC(C)CC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903127639 1130116427 /nfs/dbraw/zinc/11/64/27/1130116427.db2.gz ZKMXSCLNZKEDFR-ZXFUBFMLSA-N 2 1 278.484 3.806 20 0 CHADMP FC1(F)CC[C@@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903341946 1130163095 /nfs/dbraw/zinc/16/30/95/1130163095.db2.gz VRUTWPPAMHKNLF-WYQXTGKHSA-N 2 1 298.421 3.559 20 0 CHADMP CC1(C)[C@@H](c2ccccc2F)CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903475905 1130180028 /nfs/dbraw/zinc/18/00/28/1130180028.db2.gz HGPXCRCWVIQZHB-IJEWVQPXSA-N 2 1 290.426 3.521 20 0 CHADMP Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000788482452 1130192859 /nfs/dbraw/zinc/19/28/59/1130192859.db2.gz WKBSFXIREYNBOI-WMZOPIPTSA-N 2 1 286.463 3.515 20 0 CHADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2ccccc2CF)CCC1 ZINC000903811568 1130200806 /nfs/dbraw/zinc/20/08/06/1130200806.db2.gz NHTGOQNKKSWWFE-KRWDZBQOSA-N 2 1 290.426 3.640 20 0 CHADMP COc1cc(C)[nH+]cc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC001240057890 1130206212 /nfs/dbraw/zinc/20/62/12/1130206212.db2.gz ANCYGDGPFNFJKF-UHFFFAOYSA-N 2 1 282.387 3.661 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(C)c1Cl ZINC001206036884 1130254989 /nfs/dbraw/zinc/25/49/89/1130254989.db2.gz SGEPROMALVEJND-DZGCQCFKSA-N 2 1 294.870 3.764 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(C)c1Cl ZINC001206036901 1130259308 /nfs/dbraw/zinc/25/93/08/1130259308.db2.gz SGEPROMALVEJND-UKRRQHHQSA-N 2 1 294.870 3.764 20 0 CHADMP C[NH2+]Cc1ccccc1C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001240389074 1130288044 /nfs/dbraw/zinc/28/80/44/1130288044.db2.gz UVFXFHMMDHNNIB-UHFFFAOYSA-N 2 1 292.426 3.695 20 0 CHADMP c1ccc2cc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)ccc2c1 ZINC000677237657 1130296216 /nfs/dbraw/zinc/29/62/16/1130296216.db2.gz MNCUIKFSQDPNGH-UXHICEINSA-N 2 1 294.442 3.599 20 0 CHADMP CC(C)(CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000677237612 1130296406 /nfs/dbraw/zinc/29/64/06/1130296406.db2.gz KKXXYXPIURJNBY-MSOLQXFVSA-N 2 1 286.463 3.571 20 0 CHADMP CC(C)(CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000677237615 1130296785 /nfs/dbraw/zinc/29/67/85/1130296785.db2.gz KKXXYXPIURJNBY-ZWKOTPCHSA-N 2 1 286.463 3.571 20 0 CHADMP c1ccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CCCC2)cc1 ZINC000677236717 1130297332 /nfs/dbraw/zinc/29/73/32/1130297332.db2.gz UBWTZMQOQRQTJW-MOPGFXCFSA-N 2 1 298.474 3.715 20 0 CHADMP CC(C)[C@H]1c2ccccc2CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000678077922 1130349318 /nfs/dbraw/zinc/34/93/18/1130349318.db2.gz MRSOQIQKVQAFQH-HKUYNNGSSA-N 2 1 286.463 3.726 20 0 CHADMP CC(C)[C@H]1c2ccccc2CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000678077922 1130349322 /nfs/dbraw/zinc/34/93/22/1130349322.db2.gz MRSOQIQKVQAFQH-HKUYNNGSSA-N 2 1 286.463 3.726 20 0 CHADMP CC(C)[C@H]1c2ccccc2CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000678077922 1130349327 /nfs/dbraw/zinc/34/93/27/1130349327.db2.gz MRSOQIQKVQAFQH-HKUYNNGSSA-N 2 1 286.463 3.726 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2C2CC2)[C@H](C)C1 ZINC000678277427 1130389300 /nfs/dbraw/zinc/38/93/00/1130389300.db2.gz JHNNTKUKKZQPPB-BEFAXECRSA-N 2 1 286.463 3.726 20 0 CHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccccc2C2CC2)C1 ZINC000678285476 1130394244 /nfs/dbraw/zinc/39/42/44/1130394244.db2.gz GDRZALNGBSMCTO-QGZVFWFLSA-N 2 1 298.474 3.728 20 0 CHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccccc2C2CC2)C1 ZINC000678285476 1130394251 /nfs/dbraw/zinc/39/42/51/1130394251.db2.gz GDRZALNGBSMCTO-QGZVFWFLSA-N 2 1 298.474 3.728 20 0 CHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000678285476 1130394256 /nfs/dbraw/zinc/39/42/56/1130394256.db2.gz GDRZALNGBSMCTO-QGZVFWFLSA-N 2 1 298.474 3.728 20 0 CHADMP FC(F)c1cccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001240692413 1130420108 /nfs/dbraw/zinc/42/01/08/1130420108.db2.gz RLLMMBPMYSOGIG-UHFFFAOYSA-N 2 1 299.324 3.626 20 0 CHADMP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000678609523 1130442292 /nfs/dbraw/zinc/44/22/92/1130442292.db2.gz PAZLEKOLQZSPLU-QSOKESPWSA-N 2 1 284.447 3.526 20 0 CHADMP CCOc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000678733864 1130448654 /nfs/dbraw/zinc/44/86/54/1130448654.db2.gz YTIXAYJPBBEWGB-WBVHZDCISA-N 2 1 290.451 3.610 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1c2ccccc2CC[C@H]1C ZINC000678769589 1130452110 /nfs/dbraw/zinc/45/21/10/1130452110.db2.gz WPOVYRBWZYQUSQ-SPYBWZPUSA-N 2 1 297.446 3.741 20 0 CHADMP C[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000679393206 1130525519 /nfs/dbraw/zinc/52/55/19/1130525519.db2.gz HTPUJHAXXYTNNP-QLIIJSOBSA-N 2 1 298.474 3.818 20 0 CHADMP CC1=C[C@H](C)[C@H](C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)CC1 ZINC001206580567 1130538021 /nfs/dbraw/zinc/53/80/21/1130538021.db2.gz FCJDFVADZOZECY-BZSNNMDCSA-N 2 1 278.484 3.831 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001234999441 1130700436 /nfs/dbraw/zinc/70/04/36/1130700436.db2.gz MDHOQLIPRALBAE-IBGZPJMESA-N 2 1 286.463 3.605 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C(C)C)CC2)CC1 ZINC000086944760 1130705333 /nfs/dbraw/zinc/70/53/33/1130705333.db2.gz RIDYOUGEZRCBPA-HZPDHXFCSA-N 2 1 266.473 3.665 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C(C)C)CC2)CC1 ZINC000086944756 1130705716 /nfs/dbraw/zinc/70/57/16/1130705716.db2.gz RIDYOUGEZRCBPA-JKSUJKDBSA-N 2 1 266.473 3.665 20 0 CHADMP c1oc2ccccc2c1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235046186 1130706462 /nfs/dbraw/zinc/70/64/62/1130706462.db2.gz NRSVZBCBDCZFHE-GOSISDBHSA-N 2 1 284.403 3.541 20 0 CHADMP Cc1c(C)c(C)c(C[N@@H+]2CCC[C@@]23CC[NH2+]C3)c(C)c1C ZINC001235111584 1130711740 /nfs/dbraw/zinc/71/17/40/1130711740.db2.gz RHGCHQSNDBPLRO-IBGZPJMESA-N 2 1 286.463 3.557 20 0 CHADMP Cc1c(C)c(C)c(C[N@H+]2CCC[C@@]23CC[NH2+]C3)c(C)c1C ZINC001235111584 1130711746 /nfs/dbraw/zinc/71/17/46/1130711746.db2.gz RHGCHQSNDBPLRO-IBGZPJMESA-N 2 1 286.463 3.557 20 0 CHADMP C[C@@H](CC[N@@H+]1CCCC[C@]12CC[NH2+]C2)CC(C)(C)C ZINC001235126670 1130713170 /nfs/dbraw/zinc/71/31/70/1130713170.db2.gz VZKHVJZLEUFOBS-DOTOQJQBSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@@H](CC[N@H+]1CCCC[C@]12CC[NH2+]C2)CC(C)(C)C ZINC001235126670 1130713176 /nfs/dbraw/zinc/71/31/76/1130713176.db2.gz VZKHVJZLEUFOBS-DOTOQJQBSA-N 2 1 266.473 3.667 20 0 CHADMP c1c2ccccc2[nH]c1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235151828 1130714843 /nfs/dbraw/zinc/71/48/43/1130714843.db2.gz BTBLTZYXDAHXHW-IBGZPJMESA-N 2 1 297.446 3.522 20 0 CHADMP Clc1ccccc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235156047 1130715940 /nfs/dbraw/zinc/71/59/40/1130715940.db2.gz ZSTVDWSBXYCKAJ-QGZVFWFLSA-N 2 1 292.854 3.694 20 0 CHADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001235152959 1130716196 /nfs/dbraw/zinc/71/61/96/1130716196.db2.gz QEIPKDXCINEEIL-QXAKKESOSA-N 2 1 290.495 3.833 20 0 CHADMP Cc1cc(CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)o1 ZINC000781417444 1130716898 /nfs/dbraw/zinc/71/68/98/1130716898.db2.gz VFJPGZBQMIGZFB-GOEBONIOSA-N 2 1 290.451 3.639 20 0 CHADMP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)o1 ZINC000781417444 1130716902 /nfs/dbraw/zinc/71/69/02/1130716902.db2.gz VFJPGZBQMIGZFB-GOEBONIOSA-N 2 1 290.451 3.639 20 0 CHADMP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)o1 ZINC000781417444 1130716906 /nfs/dbraw/zinc/71/69/06/1130716906.db2.gz VFJPGZBQMIGZFB-GOEBONIOSA-N 2 1 290.451 3.639 20 0 CHADMP Cc1cccc2c(C[N@@H+]3CCCC[C@@]34CCC[NH2+]C4)c[nH]c21 ZINC001235172125 1130718161 /nfs/dbraw/zinc/71/81/61/1130718161.db2.gz KMGXVHYVSYVGOB-IBGZPJMESA-N 2 1 297.446 3.584 20 0 CHADMP Cc1cccc2c(C[N@H+]3CCCC[C@@]34CCC[NH2+]C4)c[nH]c21 ZINC001235172125 1130718166 /nfs/dbraw/zinc/71/81/66/1130718166.db2.gz KMGXVHYVSYVGOB-IBGZPJMESA-N 2 1 297.446 3.584 20 0 CHADMP CCCC[C@H](CC)C[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235176027 1130718859 /nfs/dbraw/zinc/71/88/59/1130718859.db2.gz YXBANSHTHHZJJA-DLBZAZTESA-N 2 1 266.473 3.811 20 0 CHADMP Cc1cc(C[N@@H+]2CCCCC23CC[NH2+]CC3)ccc1Cl ZINC001235190599 1130721173 /nfs/dbraw/zinc/72/11/73/1130721173.db2.gz XIVWEDVHPWENHX-UHFFFAOYSA-N 2 1 292.854 3.757 20 0 CHADMP Cc1cc(C[N@H+]2CCCCC23CC[NH2+]CC3)ccc1Cl ZINC001235190599 1130721177 /nfs/dbraw/zinc/72/11/77/1130721177.db2.gz XIVWEDVHPWENHX-UHFFFAOYSA-N 2 1 292.854 3.757 20 0 CHADMP Cc1cc(F)cc(C)c1C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235191659 1130723418 /nfs/dbraw/zinc/72/34/18/1130723418.db2.gz UUOHWGSPEVJDED-UHFFFAOYSA-N 2 1 290.426 3.551 20 0 CHADMP C[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)c1cccc2ccccc21 ZINC001235257013 1130729813 /nfs/dbraw/zinc/72/98/13/1130729813.db2.gz WMYAUSKRLFFIST-SYNHAJSKSA-N 2 1 294.442 3.627 20 0 CHADMP c1csc(-c2ccccc2C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001235276613 1130730892 /nfs/dbraw/zinc/73/08/92/1130730892.db2.gz ZRFPDIFIAUMNSJ-NVXWUHKLSA-N 2 1 298.455 3.599 20 0 CHADMP CC(C)c1cc(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)ccc1Cl ZINC001235342164 1130734042 /nfs/dbraw/zinc/73/40/42/1130734042.db2.gz UFQNHXGHOZLDRM-AWEZNQCLSA-N 2 1 292.854 3.505 20 0 CHADMP c1ccc([C@H]2C[NH2+]C[C@@]23CC[N@H+](CC2CCCCC2)C3)cc1 ZINC001235348202 1130736110 /nfs/dbraw/zinc/73/61/10/1130736110.db2.gz DAZHFSFKSMIVSF-WOJBJXKFSA-N 2 1 298.474 3.646 20 0 CHADMP CC/C=C\CC[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235366866 1130736755 /nfs/dbraw/zinc/73/67/55/1130736755.db2.gz RWISRRSGLNNBJI-FZZLMOMWSA-N 2 1 298.474 3.596 20 0 CHADMP c1ccc([C@H]2C[NH2+]C[C@]23CC[N@H+](CC2CCCCC2)C3)cc1 ZINC001235377764 1130737242 /nfs/dbraw/zinc/73/72/42/1130737242.db2.gz DAZHFSFKSMIVSF-UXHICEINSA-N 2 1 298.474 3.646 20 0 CHADMP Clc1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235426271 1130741723 /nfs/dbraw/zinc/74/17/23/1130741723.db2.gz OISQJDFQAIASOI-HUUCEWRRSA-N 2 1 292.854 3.552 20 0 CHADMP Cc1cccc(C)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235423572 1130742797 /nfs/dbraw/zinc/74/27/97/1130742797.db2.gz HBFJFFBZPUUUEQ-MSOLQXFVSA-N 2 1 286.463 3.515 20 0 CHADMP C[N@H+](Cc1cccc(-c2ccccc2)c1)CC1CC[NH2+]CC1 ZINC001235433487 1130743647 /nfs/dbraw/zinc/74/36/47/1130743647.db2.gz JNCBYUGCIFUZTB-UHFFFAOYSA-N 2 1 294.442 3.785 20 0 CHADMP Cc1ccccc1[C@@H]1CCC[N@H+]1CC[C@H]1CCCC[NH2+]1 ZINC001235446271 1130745575 /nfs/dbraw/zinc/74/55/75/1130745575.db2.gz XNNXGZJPYGALAC-AEFFLSMTSA-N 2 1 272.436 3.664 20 0 CHADMP C[C@H](C1CC1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000782181772 1130758450 /nfs/dbraw/zinc/75/84/50/1130758450.db2.gz KYSDSGXCHZAJKX-XLIONFOSSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@H](C1CC1)[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000782181772 1130758455 /nfs/dbraw/zinc/75/84/55/1130758455.db2.gz KYSDSGXCHZAJKX-XLIONFOSSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@H](C1CC1)[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000782181772 1130758462 /nfs/dbraw/zinc/75/84/62/1130758462.db2.gz KYSDSGXCHZAJKX-XLIONFOSSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@H](C1CC1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000782181772 1130758470 /nfs/dbraw/zinc/75/84/70/1130758470.db2.gz KYSDSGXCHZAJKX-XLIONFOSSA-N 2 1 298.474 3.773 20 0 CHADMP FC1(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC001235673146 1130763980 /nfs/dbraw/zinc/76/39/80/1130763980.db2.gz CCPVBIRCUXPEHS-HNNXBMFYSA-N 2 1 296.817 3.569 20 0 CHADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC001235665660 1130764625 /nfs/dbraw/zinc/76/46/25/1130764625.db2.gz PTFQRCNBLHOOOP-LJQANCHMSA-N 2 1 280.415 3.525 20 0 CHADMP CCCC[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccc1 ZINC001235664461 1130764798 /nfs/dbraw/zinc/76/47/98/1130764798.db2.gz ULSJSLQZSRWMJB-UHFFFAOYSA-N 2 1 274.452 3.678 20 0 CHADMP c1csc([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)CC[NH2+]C3)c1 ZINC001235677250 1130765472 /nfs/dbraw/zinc/76/54/72/1130765472.db2.gz FYOMDZXLVDAIPV-QGZVFWFLSA-N 2 1 298.455 3.731 20 0 CHADMP Clc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC001235674123 1130765632 /nfs/dbraw/zinc/76/56/32/1130765632.db2.gz MPVPYHZQZGFBDJ-PBHICJAKSA-N 2 1 292.854 3.867 20 0 CHADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001235675537 1130766594 /nfs/dbraw/zinc/76/65/94/1130766594.db2.gz ZDHQMPZNYNXOGR-MRXNPFEDSA-N 2 1 298.405 3.663 20 0 CHADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc2ccsc2c1 ZINC001235717114 1130771069 /nfs/dbraw/zinc/77/10/69/1130771069.db2.gz DPXUYIZUNBNXPE-UHFFFAOYSA-N 2 1 288.460 3.723 20 0 CHADMP CC(C)=CCCC1=CC[C@H](C[N@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC001235751378 1130775901 /nfs/dbraw/zinc/77/59/01/1130775901.db2.gz XHZLKCGVLVOYFH-ZWKOTPCHSA-N 2 1 276.468 3.740 20 0 CHADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC001235750634 1130776510 /nfs/dbraw/zinc/77/65/10/1130776510.db2.gz QINUDZKQTQVGCY-ZDUSSCGKSA-N 2 1 296.439 3.835 20 0 CHADMP CC1([NH3+])CC[NH+](Cc2sc(Cl)c3ccccc32)CC1 ZINC001235752293 1130777237 /nfs/dbraw/zinc/77/72/37/1130777237.db2.gz KCTXCPCFNDRRQT-UHFFFAOYSA-N 2 1 294.851 3.868 20 0 CHADMP C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000693748645 1130777368 /nfs/dbraw/zinc/77/73/68/1130777368.db2.gz BAJRRIADTFRPLI-BHIYHBOVSA-N 2 1 298.474 3.677 20 0 CHADMP CC[N@@H+](Cc1cc(C)c(Cl)c(C)c1)C1CC[NH2+]CC1 ZINC001235764456 1130778167 /nfs/dbraw/zinc/77/81/67/1130778167.db2.gz DQIAQOHYDVVYJJ-UHFFFAOYSA-N 2 1 280.843 3.531 20 0 CHADMP C[N@H+](Cc1ccc(F)c(-c2ccccc2)c1)C[C@@H]1CC[NH2+]C1 ZINC001235840510 1130787063 /nfs/dbraw/zinc/78/70/63/1130787063.db2.gz OPUNSLGHPRNHSV-MRXNPFEDSA-N 2 1 298.405 3.534 20 0 CHADMP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001235891992 1130794880 /nfs/dbraw/zinc/79/48/80/1130794880.db2.gz JIIHXDREZIVRJF-KBPBESRZSA-N 2 1 299.462 3.777 20 0 CHADMP C[C@H]1CC[C@H]([NH3+])C[N@H+]1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001235891992 1130794887 /nfs/dbraw/zinc/79/48/87/1130794887.db2.gz JIIHXDREZIVRJF-KBPBESRZSA-N 2 1 299.462 3.777 20 0 CHADMP C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000783224224 1130803310 /nfs/dbraw/zinc/80/33/10/1130803310.db2.gz PGXFBDWFBQIJRU-JTDSTZFVSA-N 2 1 286.463 3.949 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+]1C[C@H]([NH3+])CC[C@H]1C ZINC001235909080 1130804889 /nfs/dbraw/zinc/80/48/89/1130804889.db2.gz YYANAFZMSUYUKS-DGCLKSJQSA-N 2 1 274.433 3.521 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+]1C[C@H]([NH3+])CC[C@H]1C ZINC001235909080 1130804895 /nfs/dbraw/zinc/80/48/95/1130804895.db2.gz YYANAFZMSUYUKS-DGCLKSJQSA-N 2 1 274.433 3.521 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CCC[C@H]3CC[NH3+])cc2)cc1 ZINC001235925123 1130805966 /nfs/dbraw/zinc/80/59/66/1130805966.db2.gz BNFVDRJLFTWZMB-FQEVSTJZSA-N 2 1 294.442 3.975 20 0 CHADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccc2oc3ccccc3c2c1 ZINC001235925038 1130805993 /nfs/dbraw/zinc/80/59/93/1130805993.db2.gz HABYWZIYFBRHKX-HNNXBMFYSA-N 2 1 294.398 3.899 20 0 CHADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccc(-c2cccs2)cc1 ZINC001235925133 1130806303 /nfs/dbraw/zinc/80/63/03/1130806303.db2.gz CEXWOUYDLPWDHM-INIZCTEOSA-N 2 1 286.444 3.728 20 0 CHADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1cccc(-c2ccc(F)cc2)c1 ZINC001235925172 1130806717 /nfs/dbraw/zinc/80/67/17/1130806717.db2.gz KFWMXAXOAIDTMX-IBGZPJMESA-N 2 1 298.405 3.806 20 0 CHADMP CCOc1ccc2ccccc2c1C[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235924904 1130806782 /nfs/dbraw/zinc/80/67/82/1130806782.db2.gz BEBWCVWGDRHJNI-INIZCTEOSA-N 2 1 298.430 3.552 20 0 CHADMP [NH3+]CCCCC[N@H+]1CCSC[C@@H]1c1cccc(Cl)c1 ZINC001235946711 1130813492 /nfs/dbraw/zinc/81/34/92/1130813492.db2.gz QFIMWZHVHYYZSI-OAHLLOKOSA-N 2 1 298.883 3.559 20 0 CHADMP C[C@H](C[N@@H+](C)C[C@H]1CCC[NH2+]C1)c1cccc2ccccc21 ZINC001235952005 1130815066 /nfs/dbraw/zinc/81/50/66/1130815066.db2.gz WTCGRUOPISKWTD-SJORKVTESA-N 2 1 296.458 3.875 20 0 CHADMP CC/C=C\CCCCCC[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235950889 1130815463 /nfs/dbraw/zinc/81/54/63/1130815463.db2.gz ORKISABXBNJWEK-CHYADLBTSA-N 2 1 266.473 3.835 20 0 CHADMP CC[C@H](c1ccccc1)[N@H+](C)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235958835 1130816502 /nfs/dbraw/zinc/81/65/02/1130816502.db2.gz BCBVBXWRXBBUAZ-CWRNSKLLSA-N 2 1 296.405 3.560 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+](C)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235958835 1130816510 /nfs/dbraw/zinc/81/65/10/1130816510.db2.gz BCBVBXWRXBBUAZ-CWRNSKLLSA-N 2 1 296.405 3.560 20 0 CHADMP CCC(C)(C)c1ccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1 ZINC001235956699 1130817492 /nfs/dbraw/zinc/81/74/92/1130817492.db2.gz FXPQMNKAQPZVIU-KRWDZBQOSA-N 2 1 288.479 3.806 20 0 CHADMP c1ccc2c(c1)C[N@H+](CC1CCCCC1)CC21CC[NH2+]CC1 ZINC001235975170 1130821858 /nfs/dbraw/zinc/82/18/58/1130821858.db2.gz YKUXAFSKAAJLKU-UHFFFAOYSA-N 2 1 298.474 3.704 20 0 CHADMP C(C1CC2(C1)CC[NH2+]CC2)[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC001236043217 1130835506 /nfs/dbraw/zinc/83/55/06/1130835506.db2.gz VTWLQFRIVXQADJ-GOSISDBHSA-N 2 1 290.495 3.811 20 0 CHADMP CC[C@H]1c2ccccc2CC[N@@H+]1CC[C@H]1CCCC[NH2+]1 ZINC001236061473 1130843141 /nfs/dbraw/zinc/84/31/41/1130843141.db2.gz XUHWEDAFSDBGPN-AEFFLSMTSA-N 2 1 272.436 3.528 20 0 CHADMP CC(C)C[N@@H+]([C@H]1C[C@@H]2[C@H](C1)C2(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170736376 1130857115 /nfs/dbraw/zinc/85/71/15/1130857115.db2.gz LNDQWIMZXGLUCZ-RDSHKEJNSA-N 2 1 278.484 3.649 20 0 CHADMP C[N@H+](CCCC[NH3+])Cc1c(Cl)ccc(Cl)c1Cl ZINC001236141059 1130874253 /nfs/dbraw/zinc/87/42/53/1130874253.db2.gz DZDLYUREYKDCHD-UHFFFAOYSA-N 2 1 295.641 3.818 20 0 CHADMP C[N@@H+](CCCC[NH3+])Cc1c(Cl)ccc(Cl)c1Cl ZINC001236141059 1130874261 /nfs/dbraw/zinc/87/42/61/1130874261.db2.gz DZDLYUREYKDCHD-UHFFFAOYSA-N 2 1 295.641 3.818 20 0 CHADMP C[N@@H+](Cc1ccc(C[NH3+])cc1)Cc1ccc2ccccc2c1 ZINC001236184429 1130881203 /nfs/dbraw/zinc/88/12/03/1130881203.db2.gz QEGHROWUOPDXNT-UHFFFAOYSA-N 2 1 290.410 3.931 20 0 CHADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2c2c[nH]c3ccccc23)C1 ZINC001236193517 1130885502 /nfs/dbraw/zinc/88/55/02/1130885502.db2.gz RZFLDZYEBYWALS-HNAYVOBHSA-N 2 1 297.446 3.647 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2c2c[nH]c3ccccc23)C1 ZINC001236193517 1130885507 /nfs/dbraw/zinc/88/55/07/1130885507.db2.gz RZFLDZYEBYWALS-HNAYVOBHSA-N 2 1 297.446 3.647 20 0 CHADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2c[nH]c3ccccc23)C1 ZINC001236193517 1130885515 /nfs/dbraw/zinc/88/55/15/1130885515.db2.gz RZFLDZYEBYWALS-HNAYVOBHSA-N 2 1 297.446 3.647 20 0 CHADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@H]2c2c[nH]c3ccccc23)C1 ZINC001236193517 1130885522 /nfs/dbraw/zinc/88/55/22/1130885522.db2.gz RZFLDZYEBYWALS-HNAYVOBHSA-N 2 1 297.446 3.647 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)CCCc2ccccc2Cl)CC1 ZINC001236213915 1130889478 /nfs/dbraw/zinc/88/94/78/1130889478.db2.gz YFYQEIOXEPLFPQ-UHFFFAOYSA-N 2 1 294.870 3.735 20 0 CHADMP C[N@H+](Cc1cccc2[nH]cc(Cl)c21)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215740 1130890632 /nfs/dbraw/zinc/89/06/32/1130890632.db2.gz XRNVXUSRSKHQMI-DZGCQCFKSA-N 2 1 291.826 3.523 20 0 CHADMP C[N@@H+](Cc1cccc2[nH]cc(Cl)c21)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215740 1130890638 /nfs/dbraw/zinc/89/06/38/1130890638.db2.gz XRNVXUSRSKHQMI-DZGCQCFKSA-N 2 1 291.826 3.523 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)C[C@H](C)CCC=C(C)C)CC1 ZINC001236217511 1130894295 /nfs/dbraw/zinc/89/42/95/1130894295.db2.gz PVKORLOSBDADIZ-KLAILNCOSA-N 2 1 266.473 3.831 20 0 CHADMP CC/C=C\CCCCC[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236222638 1130895381 /nfs/dbraw/zinc/89/53/81/1130895381.db2.gz JYKWKMWKPPOPFU-WAYWQWQTSA-N 2 1 252.446 3.587 20 0 CHADMP CCCCC[N@@H+](Cc1ccccc1)C1CCC([NH3+])CC1 ZINC001236227216 1130896297 /nfs/dbraw/zinc/89/62/97/1130896297.db2.gz AHLBDKLFNNFURU-UHFFFAOYSA-N 2 1 274.452 3.949 20 0 CHADMP C[N@@H+](C[C@H]1C[C@@H]1c1ccc(Cl)cc1)C1(C)CC[NH2+]CC1 ZINC001236224015 1130896903 /nfs/dbraw/zinc/89/69/03/1130896903.db2.gz QHARYGCSLXVLCH-GDBMZVCRSA-N 2 1 292.854 3.517 20 0 CHADMP C[N@@H+](Cc1cccc(-c2ccccc2)c1)C1(C)CC[NH2+]CC1 ZINC001236226588 1130897592 /nfs/dbraw/zinc/89/75/92/1130897592.db2.gz PCKBTCCPCHOGSH-UHFFFAOYSA-N 2 1 294.442 3.928 20 0 CHADMP CCCCc1ccc(C[N@@H+](C)C2(C)CC[NH2+]CC2)s1 ZINC001236225661 1130897740 /nfs/dbraw/zinc/89/77/40/1130897740.db2.gz AMIVWSAKPATSRW-UHFFFAOYSA-N 2 1 280.481 3.665 20 0 CHADMP CC[N@@H+](Cc1ccc(C[NH3+])cc1)Cc1ccc(C)c(C)c1 ZINC001236240896 1130901469 /nfs/dbraw/zinc/90/14/69/1130901469.db2.gz NVMYEMLACXGMQR-UHFFFAOYSA-N 2 1 282.431 3.784 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001236246977 1130904491 /nfs/dbraw/zinc/90/44/91/1130904491.db2.gz NNVBZAJJVRDQIR-QGZVFWFLSA-N 2 1 280.415 3.585 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC001236246977 1130904492 /nfs/dbraw/zinc/90/44/92/1130904492.db2.gz NNVBZAJJVRDQIR-QGZVFWFLSA-N 2 1 280.415 3.585 20 0 CHADMP Cc1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)cc1 ZINC001236285786 1130911462 /nfs/dbraw/zinc/91/14/62/1130911462.db2.gz GGGJYEYGQVTOMK-UHFFFAOYSA-N 2 1 294.442 3.749 20 0 CHADMP C(C1CCCCC1)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373533 1130923578 /nfs/dbraw/zinc/92/35/78/1130923578.db2.gz ZCFKVBXFUNSKNS-QGZVFWFLSA-N 2 1 278.484 3.811 20 0 CHADMP CCc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)o1 ZINC001236373380 1130923930 /nfs/dbraw/zinc/92/39/30/1130923930.db2.gz HBIQETVPUZPNSM-OAHLLOKOSA-N 2 1 290.451 3.586 20 0 CHADMP COc1c(C)cc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1Cl ZINC000796725668 1130926011 /nfs/dbraw/zinc/92/60/11/1130926011.db2.gz VYOSQSTXUQBDKQ-STQMWFEESA-N 2 1 298.858 3.648 20 0 CHADMP CC/C=C\CCCCCC[N@@H+](CC)C[C@@H]1CC[NH2+]C1 ZINC001236408689 1130931782 /nfs/dbraw/zinc/93/17/82/1130931782.db2.gz QOLLOJRAANWFLK-KEGWNNHHSA-N 2 1 266.473 3.835 20 0 CHADMP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1cccc(-c2ccccc2)c1 ZINC001236419757 1130935751 /nfs/dbraw/zinc/93/57/51/1130935751.db2.gz JYIGJDMMXDADBF-HNAYVOBHSA-N 2 1 280.415 3.665 20 0 CHADMP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1cccc(-c2ccccc2)c1 ZINC001236419757 1130935755 /nfs/dbraw/zinc/93/57/55/1130935755.db2.gz JYIGJDMMXDADBF-HNAYVOBHSA-N 2 1 280.415 3.665 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1CCC[C@H]([NH3+])[C@@H]1C ZINC001236421692 1130936164 /nfs/dbraw/zinc/93/61/64/1130936164.db2.gz SPHJYFLUXLZHRB-JXFKEZNVSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@H]([NH3+])[C@@H]1C ZINC001236421692 1130936168 /nfs/dbraw/zinc/93/61/68/1130936168.db2.gz SPHJYFLUXLZHRB-JXFKEZNVSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1c(C[N@H+]2CCC[C@@H]([NH3+])[C@@H]2C)cccc1-c1ccccc1 ZINC001236421627 1130936462 /nfs/dbraw/zinc/93/64/62/1130936462.db2.gz VVWDNHAFEGAHGH-OXJNMPFZSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1c(C[N@@H+]2CCC[C@@H]([NH3+])[C@@H]2C)cccc1-c1ccccc1 ZINC001236421627 1130936464 /nfs/dbraw/zinc/93/64/64/1130936464.db2.gz VVWDNHAFEGAHGH-OXJNMPFZSA-N 2 1 294.442 3.974 20 0 CHADMP CCOC(=[NH2+])c1cccc(-c2cccc(C[NH+](C)C)c2)c1 ZINC001236423965 1130937354 /nfs/dbraw/zinc/93/73/54/1130937354.db2.gz XDFZTQZIHKGMRQ-UHFFFAOYSA-N 2 1 282.387 3.777 20 0 CHADMP CC(C)=CCCC1=CC[C@H](C[N@H+]2CC[C@](F)(C[NH3+])C2)CC1 ZINC001236433768 1130940996 /nfs/dbraw/zinc/94/09/96/1130940996.db2.gz IKTXJMDWUYMVND-ROUUACIJSA-N 2 1 294.458 3.832 20 0 CHADMP CC(C)[N@H+](Cc1ccc(C2CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236470448 1130949535 /nfs/dbraw/zinc/94/95/35/1130949535.db2.gz HMZWGOSVENFUOQ-GOSISDBHSA-N 2 1 272.436 3.526 20 0 CHADMP CC(C)[N@@H+](Cc1ccc(C2CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236470448 1130949537 /nfs/dbraw/zinc/94/95/37/1130949537.db2.gz HMZWGOSVENFUOQ-GOSISDBHSA-N 2 1 272.436 3.526 20 0 CHADMP CC[C@@H](C)C[N@@H+](Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001236499692 1130957801 /nfs/dbraw/zinc/95/78/01/1130957801.db2.gz PNCFWGWQTWBPMV-CYBMUJFWSA-N 2 1 296.405 3.565 20 0 CHADMP CC[C@@H](C)C[N@@H+](Cc1ccc(F)cc1C)C1CC[NH2+]CC1 ZINC001236518061 1130961373 /nfs/dbraw/zinc/96/13/73/1130961373.db2.gz OTTIGCXKAVFUKF-CQSZACIVSA-N 2 1 292.442 3.734 20 0 CHADMP Cc1cccc(C[N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236541620 1130969015 /nfs/dbraw/zinc/96/90/15/1130969015.db2.gz NLMKSKQROOTDOP-WGSAOQKQSA-N 2 1 286.463 3.867 20 0 CHADMP Cc1c(F)cccc1C[N@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550264 1130973133 /nfs/dbraw/zinc/97/31/33/1130973133.db2.gz JXMDFCLSLZNGOM-QAQDUYKDSA-N 2 1 292.442 3.862 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCC2)C2CCCC2)CC1 ZINC001236567759 1130976374 /nfs/dbraw/zinc/97/63/74/1130976374.db2.gz ZPGMBBRCCLEUQL-JCNLHEQBSA-N 2 1 264.457 3.691 20 0 CHADMP CC(C)(C)C[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236566325 1130976426 /nfs/dbraw/zinc/97/64/26/1130976426.db2.gz WTZHPSDWFNDXIO-KOMQPUFPSA-N 2 1 266.473 3.937 20 0 CHADMP CC1=CC[C@@H](CC[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)C1(C)C ZINC001236584617 1130980257 /nfs/dbraw/zinc/98/02/57/1130980257.db2.gz MIVVBCUOTZUAAF-IRXDYDNUSA-N 2 1 290.495 3.833 20 0 CHADMP Cc1ccc([C@H](C)CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)o1 ZINC001236584502 1130980697 /nfs/dbraw/zinc/98/06/97/1130980697.db2.gz FUJBVSVJJZDDLJ-GDBMZVCRSA-N 2 1 290.451 3.546 20 0 CHADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(F)c(-c3ccccc3)c2)C1 ZINC001236617765 1130985253 /nfs/dbraw/zinc/98/52/53/1130985253.db2.gz XJUZIRBVIASOES-LJQANCHMSA-N 2 1 298.405 3.663 20 0 CHADMP c1cc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c2c(c1)CCCC2 ZINC001236638341 1130987268 /nfs/dbraw/zinc/98/72/68/1130987268.db2.gz ZKJMRDCWKJOHKP-UHFFFAOYSA-N 2 1 298.474 3.672 20 0 CHADMP CCCC[C@@H](CC)C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236635010 1130987610 /nfs/dbraw/zinc/98/76/10/1130987610.db2.gz ZTJLVDVJBXQHQU-OAHLLOKOSA-N 2 1 266.473 3.809 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCC2CC2)Cc2ccccc2)CC1 ZINC001236682009 1130992486 /nfs/dbraw/zinc/99/24/86/1130992486.db2.gz NOSTUDMJPPISOW-IYARVYRRSA-N 2 1 272.436 3.559 20 0 CHADMP CC[N@H+](C)C1CC[NH+](Cc2cccc3sccc32)CC1 ZINC001236680847 1130993345 /nfs/dbraw/zinc/99/33/45/1130993345.db2.gz DOLHUUBSMODSEB-UHFFFAOYSA-N 2 1 288.460 3.817 20 0 CHADMP CC[N@@H+](C)C1CC[NH+](Cc2cccc3sccc32)CC1 ZINC001236680847 1130993349 /nfs/dbraw/zinc/99/33/49/1130993349.db2.gz DOLHUUBSMODSEB-UHFFFAOYSA-N 2 1 288.460 3.817 20 0 CHADMP Cc1cc(C[NH2+]CCC[NH+](C(C)C)C(C)C)cc(Cl)n1 ZINC000797602556 1130997759 /nfs/dbraw/zinc/99/77/59/1130997759.db2.gz MULMYHNOCKLRCD-UHFFFAOYSA-N 2 1 297.874 3.642 20 0 CHADMP Cc1ccc(C[N@@H+](Cc2ccco2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236713391 1130998141 /nfs/dbraw/zinc/99/81/41/1130998141.db2.gz BIORXWDLCLMMKY-IYARVYRRSA-N 2 1 298.430 3.860 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(F)cc1C ZINC000815552678 1130998812 /nfs/dbraw/zinc/99/88/12/1130998812.db2.gz HLXHXMOWLGXZJA-CQSZACIVSA-N 2 1 266.404 3.517 20 0 CHADMP CC(C)(C)C[N@@H+](CCc1cccs1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236768506 1131004593 /nfs/dbraw/zinc/00/45/93/1131004593.db2.gz OANDQOUHGRSBMT-SHTZXODSSA-N 2 1 294.508 3.909 20 0 CHADMP CCC(CC)[N@@H+](Cc1ccccc1N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236800018 1131009097 /nfs/dbraw/zinc/00/90/97/1131009097.db2.gz XWVAJVNIJZDVSY-JCNLHEQBSA-N 2 1 289.467 3.529 20 0 CHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3-c3cccs3)C[C@H]12 ZINC001236819764 1131013787 /nfs/dbraw/zinc/01/37/87/1131013787.db2.gz OEYZUQKRFQXZMY-BHYGNILZSA-N 2 1 298.455 3.584 20 0 CHADMP CCC[N@@H+](CCCc1ccccc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236827322 1131017137 /nfs/dbraw/zinc/01/71/37/1131017137.db2.gz FRXVGZVCBYKIAL-HNNXBMFYSA-N 2 1 294.870 3.594 20 0 CHADMP CCCc1ccc(C[N@@H+](CCC)C[C@@H]2CC[NH2+]C2)s1 ZINC001236835340 1131017840 /nfs/dbraw/zinc/01/78/40/1131017840.db2.gz LQBGNDOXWYJKAM-CQSZACIVSA-N 2 1 280.481 3.522 20 0 CHADMP CCCc1ccc(C[N@@H+](CCC)C[C@H]2CC[NH2+]C2)s1 ZINC001236835339 1131018887 /nfs/dbraw/zinc/01/88/87/1131018887.db2.gz LQBGNDOXWYJKAM-AWEZNQCLSA-N 2 1 280.481 3.522 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c2ccccc12 ZINC001138016474 1131019169 /nfs/dbraw/zinc/01/91/69/1131019169.db2.gz IKTWTAKFIDTMOT-FQEVSTJZSA-N 2 1 294.442 3.676 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c2ccccc12 ZINC001138016474 1131019172 /nfs/dbraw/zinc/01/91/72/1131019172.db2.gz IKTWTAKFIDTMOT-FQEVSTJZSA-N 2 1 294.442 3.676 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c2ccccc12 ZINC001138016474 1131019173 /nfs/dbraw/zinc/01/91/73/1131019173.db2.gz IKTWTAKFIDTMOT-FQEVSTJZSA-N 2 1 294.442 3.676 20 0 CHADMP CC[C@H]([NH3+])C[N@H+](C)CCCc1ccc(Cl)c(Cl)c1 ZINC001236858489 1131022921 /nfs/dbraw/zinc/02/29/21/1131022921.db2.gz CCEVDURVAIFGSX-LBPRGKRZSA-N 2 1 289.250 3.595 20 0 CHADMP CC[C@H]([NH3+])C[N@@H+](C)CCCc1ccc(Cl)c(Cl)c1 ZINC001236858489 1131022927 /nfs/dbraw/zinc/02/29/27/1131022927.db2.gz CCEVDURVAIFGSX-LBPRGKRZSA-N 2 1 289.250 3.595 20 0 CHADMP CC[C@H]([NH3+])C[N@H+](C)Cc1ccccc1-c1cccs1 ZINC001236867870 1131025834 /nfs/dbraw/zinc/02/58/34/1131025834.db2.gz CZYVRYXCCZEHFC-AWEZNQCLSA-N 2 1 274.433 3.584 20 0 CHADMP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccccc1-c1cccs1 ZINC001236867870 1131025841 /nfs/dbraw/zinc/02/58/41/1131025841.db2.gz CZYVRYXCCZEHFC-AWEZNQCLSA-N 2 1 274.433 3.584 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237056352 1131043259 /nfs/dbraw/zinc/04/32/59/1131043259.db2.gz ICOLNHUCQHGVRL-VGOKWCNXSA-N 2 1 266.473 3.964 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC001237058098 1131043942 /nfs/dbraw/zinc/04/39/42/1131043942.db2.gz PHZSOTKRRAYBTN-HXUWFJFHSA-N 2 1 294.442 3.914 20 0 CHADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2ccccc2)o1 ZINC001237082950 1131047894 /nfs/dbraw/zinc/04/78/94/1131047894.db2.gz ZEUBBCINISNXHC-ZXFUBFMLSA-N 2 1 296.414 3.648 20 0 CHADMP Cc1cccc(C)c1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798957179 1131065221 /nfs/dbraw/zinc/06/52/21/1131065221.db2.gz XULNSZJNOUCKTM-UHFFFAOYSA-N 2 1 286.463 3.611 20 0 CHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(Cl)s3)C2)CC1 ZINC000798957134 1131065235 /nfs/dbraw/zinc/06/52/35/1131065235.db2.gz VWJYMXKNYNBPJR-UHFFFAOYSA-N 2 1 298.883 3.709 20 0 CHADMP C[N@@H+](Cc1cc2c(s1)C[NH2+]CC2)[C@H]1CCc2ccccc21 ZINC001237258836 1131073944 /nfs/dbraw/zinc/07/39/44/1131073944.db2.gz PCZDQBLPBPGVKE-KRWDZBQOSA-N 2 1 298.455 3.513 20 0 CHADMP C[N@@H+](CCC[NH2+]C1CCCCC1)[C@@H]1CCc2ccccc21 ZINC001237258274 1131075243 /nfs/dbraw/zinc/07/52/43/1131075243.db2.gz LBCJKQBIXLHPKA-LJQANCHMSA-N 2 1 286.463 3.918 20 0 CHADMP CCCCCC[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237276461 1131076057 /nfs/dbraw/zinc/07/60/57/1131076057.db2.gz VWNKIBUUJLTVLH-UHFFFAOYSA-N 2 1 286.463 3.704 20 0 CHADMP C[C@@H](c1ccc(Br)cc1)[N@@H+](C)CCCCC[NH3+] ZINC001237463888 1131102756 /nfs/dbraw/zinc/10/27/56/1131102756.db2.gz OTAQAUVPFFGPGN-LBPRGKRZSA-N 2 1 299.256 3.571 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC001116410090 1131144179 /nfs/dbraw/zinc/14/41/79/1131144179.db2.gz SSEOZAXSZDOPBB-CXAGYDPISA-N 2 1 292.854 3.649 20 0 CHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@H]4C[C@H]43)cc21 ZINC001237889809 1131148453 /nfs/dbraw/zinc/14/84/53/1131148453.db2.gz OHKVRSHJLQYSBI-FUHWJXTLSA-N 2 1 282.431 3.672 20 0 CHADMP C[C@H]([NH2+][C@H]1CCCC[C@H]1[NH+](C)C)C1CCC(F)(F)CC1 ZINC001116861433 1131167926 /nfs/dbraw/zinc/16/79/26/1131167926.db2.gz RFABBGZWEMKILX-AEGPPILISA-N 2 1 288.426 3.663 20 0 CHADMP Cc1cccc(C)c1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000817908045 1131186711 /nfs/dbraw/zinc/18/67/11/1131186711.db2.gz MQGASSUQYHSNTC-MSOLQXFVSA-N 2 1 266.388 3.538 20 0 CHADMP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c3ccccc31)CCC2 ZINC000817921962 1131188484 /nfs/dbraw/zinc/18/84/84/1131188484.db2.gz LUEQQFOWQVZJAY-NUEKZKHPSA-N 2 1 299.443 3.563 20 0 CHADMP CCCc1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC001118197885 1131214891 /nfs/dbraw/zinc/21/48/91/1131214891.db2.gz XEHADIDHCDCOTG-UHFFFAOYSA-N 2 1 286.463 3.603 20 0 CHADMP Cc1nccn1-c1ccc(C[N@H+]2CCC3(CCC3)C2)cc1 ZINC001138549066 1131519991 /nfs/dbraw/zinc/51/99/91/1131519991.db2.gz PUUXNVDXGWIOLD-UHFFFAOYSA-N 2 1 281.403 3.557 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC3(CCC3)C2)cc1 ZINC001138549066 1131519995 /nfs/dbraw/zinc/51/99/95/1131519995.db2.gz PUUXNVDXGWIOLD-UHFFFAOYSA-N 2 1 281.403 3.557 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC3(CCC3)C2)cc1 ZINC001138549066 1131519999 /nfs/dbraw/zinc/51/99/99/1131519999.db2.gz PUUXNVDXGWIOLD-UHFFFAOYSA-N 2 1 281.403 3.557 20 0 CHADMP Cc1cccc(Cl)c1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001138722034 1131541471 /nfs/dbraw/zinc/54/14/71/1131541471.db2.gz OBHWBDZSIWPWFQ-UHFFFAOYSA-N 2 1 292.854 3.566 20 0 CHADMP CC[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(C)c2)C[C@H](CC)[NH2+]1 ZINC001246523482 1131549736 /nfs/dbraw/zinc/54/97/36/1131549736.db2.gz BPWVSLCNHSENOJ-BCDXTJNWSA-N 2 1 274.452 3.736 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2cccc(C)c12 ZINC001139199874 1131594634 /nfs/dbraw/zinc/59/46/34/1131594634.db2.gz SZJPVWHDGDFFQE-UHFFFAOYSA-N 2 1 287.451 3.640 20 0 CHADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246550769 1131606631 /nfs/dbraw/zinc/60/66/31/1131606631.db2.gz JPRVPTHSRYTFIU-CZUORRHYSA-N 2 1 296.455 3.510 20 0 CHADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(-c2cccnc2)cc1 ZINC001139644960 1131625459 /nfs/dbraw/zinc/62/54/59/1131625459.db2.gz WWTOGCFJYZLDHV-UHFFFAOYSA-N 2 1 297.446 3.522 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(-c2cccnc2)cc1 ZINC001139644960 1131625462 /nfs/dbraw/zinc/62/54/62/1131625462.db2.gz WWTOGCFJYZLDHV-UHFFFAOYSA-N 2 1 297.446 3.522 20 0 CHADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1[C@@H]1CCCC2(CCCCC2)C1 ZINC001246565089 1131631162 /nfs/dbraw/zinc/63/11/62/1131631162.db2.gz OORMQGCWPDPDOL-IXDOHACOSA-N 2 1 278.484 3.939 20 0 CHADMP CCC[C@H](C)CC[C@@H](C)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246572643 1131651444 /nfs/dbraw/zinc/65/14/44/1131651444.db2.gz ARFVCNSVHBFBOZ-XHSDSOJGSA-N 2 1 272.452 3.744 20 0 CHADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246572643 1131651446 /nfs/dbraw/zinc/65/14/46/1131651446.db2.gz ARFVCNSVHBFBOZ-XHSDSOJGSA-N 2 1 272.452 3.744 20 0 CHADMP Cc1nccn1-c1ccccc1C[N@H+]1CCCC1(C)C ZINC001140023842 1131656836 /nfs/dbraw/zinc/65/68/36/1131656836.db2.gz ZVOLDTDZCCGVSW-UHFFFAOYSA-N 2 1 269.392 3.555 20 0 CHADMP CC(C)=CCC[C@@H](C)[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246587185 1131698530 /nfs/dbraw/zinc/69/85/30/1131698530.db2.gz VVYINIGLBMKZKG-CVEARBPZSA-N 2 1 252.446 3.572 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CCCCCC[NH3+])C1 ZINC000846219016 1131700811 /nfs/dbraw/zinc/70/08/11/1131700811.db2.gz CTQUWGRAYIWTQT-RHSMWYFYSA-N 2 1 278.415 3.728 20 0 CHADMP Cc1ccccc1[C@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000846218373 1131702228 /nfs/dbraw/zinc/70/22/28/1131702228.db2.gz MSVRJGIPHBHXPS-QGZVFWFLSA-N 2 1 260.425 3.651 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001246600913 1131711749 /nfs/dbraw/zinc/71/17/49/1131711749.db2.gz FFJQQIUGIZGDIQ-YESZJQIVSA-N 2 1 266.473 3.667 20 0 CHADMP CC(C)CCC[C@@H](C)[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001246605999 1131715278 /nfs/dbraw/zinc/71/52/78/1131715278.db2.gz LPTLUFPIFSMWPO-IAGOWNOFSA-N 2 1 266.473 3.809 20 0 CHADMP CCCCC[C@H]([NH2+]CCCc1c[nH+]cn1C)C(C)(C)C ZINC000846849289 1131751008 /nfs/dbraw/zinc/75/10/08/1131751008.db2.gz LMYCBEPTAHGAEA-INIZCTEOSA-N 2 1 279.472 3.937 20 0 CHADMP CCCCC[C@@H](CC)[N@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001246641091 1131760831 /nfs/dbraw/zinc/76/08/31/1131760831.db2.gz VZRQJDNIDJTGDV-HUUCEWRRSA-N 2 1 288.426 3.666 20 0 CHADMP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)cc1 ZINC001246771444 1131780952 /nfs/dbraw/zinc/78/09/52/1131780952.db2.gz YSRCCSAIVGVQRN-SJORKVTESA-N 2 1 274.452 3.594 20 0 CHADMP CCCC[N@@H+](CCC)[C@H]1CCN[C@@H](c2ccccc2)C1 ZINC001246779876 1131781896 /nfs/dbraw/zinc/78/18/96/1131781896.db2.gz VFWSUIMCASQUQR-ZWKOTPCHSA-N 2 1 274.452 3.992 20 0 CHADMP CCCC[N@H+](CCC)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246779876 1131781900 /nfs/dbraw/zinc/78/19/00/1131781900.db2.gz VFWSUIMCASQUQR-ZWKOTPCHSA-N 2 1 274.452 3.992 20 0 CHADMP CCCC[N@@H+](CCC)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246779876 1131781911 /nfs/dbraw/zinc/78/19/11/1131781911.db2.gz VFWSUIMCASQUQR-ZWKOTPCHSA-N 2 1 274.452 3.992 20 0 CHADMP CC[N@@H+](C1CC[NH2+]CC1)C1CCC2(CCCC2)CC1 ZINC001246797112 1131784469 /nfs/dbraw/zinc/78/44/69/1131784469.db2.gz LNYPIGNEXGOTIP-UHFFFAOYSA-N 2 1 264.457 3.563 20 0 CHADMP C[C@H]1CC[C@@H]([N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001246966518 1131830404 /nfs/dbraw/zinc/83/04/04/1131830404.db2.gz UXDCVWIJBDUGIP-QSPRXWTASA-N 2 1 264.457 3.547 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001247002534 1131840561 /nfs/dbraw/zinc/84/05/61/1131840561.db2.gz NFBOLNGHMBKDER-HRCADAONSA-N 2 1 254.462 3.508 20 0 CHADMP CC[C@H](C)[C@@H]1CCCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000348191577 1131895270 /nfs/dbraw/zinc/89/52/70/1131895270.db2.gz VUVMQZGYVDHAHB-RDJZCZTQSA-N 2 1 277.456 3.872 20 0 CHADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000348191577 1131895274 /nfs/dbraw/zinc/89/52/74/1131895274.db2.gz VUVMQZGYVDHAHB-RDJZCZTQSA-N 2 1 277.456 3.872 20 0 CHADMP CC/C=C/C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716693632 1132029562 /nfs/dbraw/zinc/02/95/62/1132029562.db2.gz PKCXEMACMXKXRN-FLRJTCFHSA-N 2 1 284.447 3.595 20 0 CHADMP CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000716727476 1132031103 /nfs/dbraw/zinc/03/11/03/1132031103.db2.gz LGTSGQBTJDKTNI-RNQOJCNYSA-N 2 1 298.474 3.818 20 0 CHADMP Cc1ccc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c(F)c1 ZINC001141194997 1132039045 /nfs/dbraw/zinc/03/90/45/1132039045.db2.gz WSSKWVCIZSYGLF-UHFFFAOYSA-N 2 1 292.442 3.686 20 0 CHADMP C[NH+]1C(C)(C)CC([N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CC1(C)C ZINC001171632183 1132062886 /nfs/dbraw/zinc/06/28/86/1132062886.db2.gz WHBRKLDGLMBFGN-GASCZTMLSA-N 2 1 278.484 3.760 20 0 CHADMP C[NH+]1C(C)(C)CC([N@H+]2CCc3sccc3C2)CC1(C)C ZINC001171631718 1132063643 /nfs/dbraw/zinc/06/36/43/1132063643.db2.gz MHGNWKGFCPWIHB-UHFFFAOYSA-N 2 1 292.492 3.758 20 0 CHADMP C[C@@H]1CCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171631969 1132063857 /nfs/dbraw/zinc/06/38/57/1132063857.db2.gz RLCBZLFDNSDHDG-CQSZACIVSA-N 2 1 266.473 3.760 20 0 CHADMP C[NH+]1C(C)(C)CC([NH+]2CC3CCC(CC3)C2)CC1(C)C ZINC001171642761 1132081663 /nfs/dbraw/zinc/08/16/63/1132081663.db2.gz MKXARYKVDCQQPS-UHFFFAOYSA-N 2 1 278.484 3.760 20 0 CHADMP CC[N@H+](Cc1cccnc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639374 1132081705 /nfs/dbraw/zinc/08/17/05/1132081705.db2.gz IALIPVPYVLXZDF-UHFFFAOYSA-N 2 1 289.467 3.555 20 0 CHADMP CC[N@@H+](Cc1cccnc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639374 1132081713 /nfs/dbraw/zinc/08/17/13/1132081713.db2.gz IALIPVPYVLXZDF-UHFFFAOYSA-N 2 1 289.467 3.555 20 0 CHADMP C[C@H]1CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976143 1132117967 /nfs/dbraw/zinc/11/79/67/1132117967.db2.gz INRFGAHXRJFQOA-FUHWJXTLSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976143 1132117971 /nfs/dbraw/zinc/11/79/71/1132117971.db2.gz INRFGAHXRJFQOA-FUHWJXTLSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976143 1132117974 /nfs/dbraw/zinc/11/79/74/1132117974.db2.gz INRFGAHXRJFQOA-FUHWJXTLSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976143 1132117976 /nfs/dbraw/zinc/11/79/76/1132117976.db2.gz INRFGAHXRJFQOA-FUHWJXTLSA-N 2 1 286.463 3.771 20 0 CHADMP CCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976951 1132119883 /nfs/dbraw/zinc/11/98/83/1132119883.db2.gz PBFAZASAIHMPPL-QGZVFWFLSA-N 2 1 274.452 3.771 20 0 CHADMP CCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976951 1132119885 /nfs/dbraw/zinc/11/98/85/1132119885.db2.gz PBFAZASAIHMPPL-QGZVFWFLSA-N 2 1 274.452 3.771 20 0 CHADMP CCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976951 1132119888 /nfs/dbraw/zinc/11/98/88/1132119888.db2.gz PBFAZASAIHMPPL-QGZVFWFLSA-N 2 1 274.452 3.771 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(Cl)c(F)c1)C2 ZINC001172100464 1132124567 /nfs/dbraw/zinc/12/45/67/1132124567.db2.gz QYQOEPGWXVHOSS-BTTYYORXSA-N 2 1 296.817 3.584 20 0 CHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2C[C@@H]4C[C@@H]4C2)C3)cc1 ZINC001172068559 1132124880 /nfs/dbraw/zinc/12/48/80/1132124880.db2.gz JWVWLKMBGLZGGQ-KJFMYELZSA-N 2 1 296.458 3.524 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2C[C@@H]4C[C@@H]4C2)C3)cc1 ZINC001172068559 1132124884 /nfs/dbraw/zinc/12/48/84/1132124884.db2.gz JWVWLKMBGLZGGQ-KJFMYELZSA-N 2 1 296.458 3.524 20 0 CHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2C[C@@H]4C[C@@H]4C2)C3)cc1 ZINC001172068559 1132124888 /nfs/dbraw/zinc/12/48/88/1132124888.db2.gz JWVWLKMBGLZGGQ-KJFMYELZSA-N 2 1 296.458 3.524 20 0 CHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2C[C@@H]4C[C@@H]4C2)C3)cc1 ZINC001172068559 1132124890 /nfs/dbraw/zinc/12/48/90/1132124890.db2.gz JWVWLKMBGLZGGQ-KJFMYELZSA-N 2 1 296.458 3.524 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(C1)CCCCC3)C2 ZINC001172133975 1132127904 /nfs/dbraw/zinc/12/79/04/1132127904.db2.gz VFWZTGLMEKFGSP-FVQHAEBGSA-N 2 1 276.468 3.658 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC3(C1)CCCCC3)C2 ZINC001172133975 1132127908 /nfs/dbraw/zinc/12/79/08/1132127908.db2.gz VFWZTGLMEKFGSP-FVQHAEBGSA-N 2 1 276.468 3.658 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC3(C1)CCCCC3)C2 ZINC001172133975 1132127911 /nfs/dbraw/zinc/12/79/11/1132127911.db2.gz VFWZTGLMEKFGSP-FVQHAEBGSA-N 2 1 276.468 3.658 20 0 CHADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172107168 1132129485 /nfs/dbraw/zinc/12/94/85/1132129485.db2.gz UBHKHYPQOJGTRH-BMFAXAFESA-N 2 1 284.447 3.587 20 0 CHADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172107168 1132129489 /nfs/dbraw/zinc/12/94/89/1132129489.db2.gz UBHKHYPQOJGTRH-BMFAXAFESA-N 2 1 284.447 3.587 20 0 CHADMP CC(C)c1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172102705 1132130145 /nfs/dbraw/zinc/13/01/45/1132130145.db2.gz OINBHHCNJNKYFC-REPLKXPHSA-N 2 1 286.463 3.915 20 0 CHADMP CCCC[N@H+](CCC)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120371 1132134364 /nfs/dbraw/zinc/13/43/64/1132134364.db2.gz DXKVLWAUYVOEPK-MUJYYYPQSA-N 2 1 252.446 3.514 20 0 CHADMP CCCC[N@@H+](CCC)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120371 1132134368 /nfs/dbraw/zinc/13/43/68/1132134368.db2.gz DXKVLWAUYVOEPK-MUJYYYPQSA-N 2 1 252.446 3.514 20 0 CHADMP CCCC[NH+](CCC)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172120371 1132134371 /nfs/dbraw/zinc/13/43/71/1132134371.db2.gz DXKVLWAUYVOEPK-MUJYYYPQSA-N 2 1 252.446 3.514 20 0 CHADMP CCCC[NH+](CCC)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172120371 1132134375 /nfs/dbraw/zinc/13/43/75/1132134375.db2.gz DXKVLWAUYVOEPK-MUJYYYPQSA-N 2 1 252.446 3.514 20 0 CHADMP Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172119184 1132134573 /nfs/dbraw/zinc/13/45/73/1132134573.db2.gz VUIGMDBTWWFRGC-XLAORIBOSA-N 2 1 286.463 3.969 20 0 CHADMP Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172119184 1132134576 /nfs/dbraw/zinc/13/45/76/1132134576.db2.gz VUIGMDBTWWFRGC-XLAORIBOSA-N 2 1 286.463 3.969 20 0 CHADMP CC[C@H](C)OCC[C@@H](C)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172327939 1132171183 /nfs/dbraw/zinc/17/11/83/1132171183.db2.gz FYWZBEYFTPHRRS-KYHPRHEASA-N 2 1 296.499 3.705 20 0 CHADMP CCCCCC[C@H](CCC)[NH2+]C1CC[NH+](C)CC1 ZINC001172379777 1132171361 /nfs/dbraw/zinc/17/13/61/1132171361.db2.gz WMCKVUJIFIVKFR-HNNXBMFYSA-N 2 1 254.462 3.809 20 0 CHADMP CC[C@@H](C)OCC[C@H](C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001172340368 1132176603 /nfs/dbraw/zinc/17/66/03/1132176603.db2.gz QIBDBZBYEBWPSH-DLBZAZTESA-N 2 1 296.499 3.530 20 0 CHADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@@H](C)[C@H](C)C2)[C@@H](C)C1 ZINC001172365745 1132191734 /nfs/dbraw/zinc/19/17/34/1132191734.db2.gz CVKOQERFWFOAPG-UHDSXZAQSA-N 2 1 266.473 3.520 20 0 CHADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@@H](C)[C@@H](C)C2)[C@@H](C)C1 ZINC001172365741 1132191963 /nfs/dbraw/zinc/19/19/63/1132191963.db2.gz CVKOQERFWFOAPG-JSRQGNBESA-N 2 1 266.473 3.520 20 0 CHADMP CC(C)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001172368886 1132194800 /nfs/dbraw/zinc/19/48/00/1132194800.db2.gz KEHALGCHGMCFRX-ZHCJQAHYSA-N 2 1 266.473 3.791 20 0 CHADMP CC[C@H](CC(C)C)[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001172402627 1132195693 /nfs/dbraw/zinc/19/56/93/1132195693.db2.gz TUCVGLJCTMCDBT-BZUAXINKSA-N 2 1 254.462 3.520 20 0 CHADMP CC[C@H](CC(C)C)N(c1cccc(C)[nH+]1)C1CC[NH2+]CC1 ZINC001172405497 1132196391 /nfs/dbraw/zinc/19/63/91/1132196391.db2.gz YJKLVODKDDPRIH-MRXNPFEDSA-N 2 1 289.467 3.773 20 0 CHADMP CC[C@@H](CC(C)C)[NH+]1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001172392331 1132215836 /nfs/dbraw/zinc/21/58/36/1132215836.db2.gz CYQSAZLWWRWTJI-KRWDZBQOSA-N 2 1 292.442 3.900 20 0 CHADMP CC[C@@H](CC(C)C)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001172394439 1132218330 /nfs/dbraw/zinc/21/83/30/1132218330.db2.gz ULEQOBZMLKIXGL-HNNXBMFYSA-N 2 1 292.442 3.900 20 0 CHADMP CC(C)OCC[C@H](C)[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001172458153 1132239940 /nfs/dbraw/zinc/23/99/40/1132239940.db2.gz ZJHQDFUOZYPKIF-BZSNNMDCSA-N 2 1 296.499 3.529 20 0 CHADMP CC(C)OCC[C@H](C)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001172458153 1132239945 /nfs/dbraw/zinc/23/99/45/1132239945.db2.gz ZJHQDFUOZYPKIF-BZSNNMDCSA-N 2 1 296.499 3.529 20 0 CHADMP CC(C)OCC[C@H](C)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001172458153 1132239951 /nfs/dbraw/zinc/23/99/51/1132239951.db2.gz ZJHQDFUOZYPKIF-BZSNNMDCSA-N 2 1 296.499 3.529 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172570247 1132272729 /nfs/dbraw/zinc/27/27/29/1132272729.db2.gz VKILQHVKWWAFSK-RTBURBONSA-N 2 1 288.479 3.986 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172544016 1132278804 /nfs/dbraw/zinc/27/88/04/1132278804.db2.gz VSPIHPDYLOYEOA-QYZOEREBSA-N 2 1 286.463 3.787 20 0 CHADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172548317 1132280659 /nfs/dbraw/zinc/28/06/59/1132280659.db2.gz CBIQNDSYFHPQDJ-VAMGGRTRSA-N 2 1 298.474 3.740 20 0 CHADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CCC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172548317 1132280667 /nfs/dbraw/zinc/28/06/67/1132280667.db2.gz CBIQNDSYFHPQDJ-VAMGGRTRSA-N 2 1 298.474 3.740 20 0 CHADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CCC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172548317 1132280673 /nfs/dbraw/zinc/28/06/73/1132280673.db2.gz CBIQNDSYFHPQDJ-VAMGGRTRSA-N 2 1 298.474 3.740 20 0 CHADMP C[NH+](C)CCC[N@@H+](C)[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172546727 1132281552 /nfs/dbraw/zinc/28/15/52/1132281552.db2.gz QKCGEWHBJQBFCD-MSOLQXFVSA-N 2 1 274.452 3.596 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1Cl ZINC001231423548 1132291090 /nfs/dbraw/zinc/29/10/90/1132291090.db2.gz DMOWSBNERQALPU-UHFFFAOYSA-N 2 1 292.854 3.566 20 0 CHADMP CCCCc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC001231782559 1132359421 /nfs/dbraw/zinc/35/94/21/1132359421.db2.gz PYKDYZGLMFHCJO-IBGZPJMESA-N 2 1 286.463 3.557 20 0 CHADMP CCCCc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC001231782559 1132359429 /nfs/dbraw/zinc/35/94/29/1132359429.db2.gz PYKDYZGLMFHCJO-IBGZPJMESA-N 2 1 286.463 3.557 20 0 CHADMP CCCCc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC001231782559 1132359437 /nfs/dbraw/zinc/35/94/37/1132359437.db2.gz PYKDYZGLMFHCJO-IBGZPJMESA-N 2 1 286.463 3.557 20 0 CHADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccccc1SC ZINC001231786589 1132363455 /nfs/dbraw/zinc/36/34/55/1132363455.db2.gz GNKBWARXLDBKJG-UHFFFAOYSA-N 2 1 280.481 3.572 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccccc1SC ZINC001231786589 1132363465 /nfs/dbraw/zinc/36/34/65/1132363465.db2.gz GNKBWARXLDBKJG-UHFFFAOYSA-N 2 1 280.481 3.572 20 0 CHADMP CCCOC1CCC([NH2+][C@H]2CC[N@@H+](C(CC)CC)C2)CC1 ZINC001173094347 1132386336 /nfs/dbraw/zinc/38/63/36/1132386336.db2.gz VQGLAQDGVNMQPD-PQUAAJSLSA-N 2 1 296.499 3.577 20 0 CHADMP CCCOC1CCC([NH2+][C@H]2CC[N@H+](C(CC)CC)C2)CC1 ZINC001173094347 1132386344 /nfs/dbraw/zinc/38/63/44/1132386344.db2.gz VQGLAQDGVNMQPD-PQUAAJSLSA-N 2 1 296.499 3.577 20 0 CHADMP CCCC[N@@H+](CC)C1CCC([NH+](CC)CC)CC1 ZINC001173108232 1132391920 /nfs/dbraw/zinc/39/19/20/1132391920.db2.gz GVZZJCDRWBCESF-UHFFFAOYSA-N 2 1 254.462 3.761 20 0 CHADMP CCC[C@H]1CCCC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014557 1132411152 /nfs/dbraw/zinc/41/11/52/1132411152.db2.gz QLOJLQGVSWOLRR-HNNXBMFYSA-N 2 1 257.381 3.718 20 0 CHADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001232016554 1132411199 /nfs/dbraw/zinc/41/11/99/1132411199.db2.gz ZAXZVZATFSHIQP-OAHLLOKOSA-N 2 1 283.419 3.965 20 0 CHADMP CCc1ccc(C[C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001173235740 1132415626 /nfs/dbraw/zinc/41/56/26/1132415626.db2.gz OPACEIMOPSLQIH-QFBILLFUSA-N 2 1 288.479 3.502 20 0 CHADMP C[C@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001173206887 1132415692 /nfs/dbraw/zinc/41/56/92/1132415692.db2.gz XYJNKIQAHINHSB-VQIMIIECSA-N 2 1 294.442 3.630 20 0 CHADMP C[C@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@@H]([NH3+])C1 ZINC001173206887 1132415696 /nfs/dbraw/zinc/41/56/96/1132415696.db2.gz XYJNKIQAHINHSB-VQIMIIECSA-N 2 1 294.442 3.630 20 0 CHADMP CCc1ccc(C[C@@H](C)[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC001173244553 1132417901 /nfs/dbraw/zinc/41/79/01/1132417901.db2.gz XIYKLGISWXICJS-QGZVFWFLSA-N 2 1 288.479 3.598 20 0 CHADMP C[C@@H]1CCCC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232143886 1132427126 /nfs/dbraw/zinc/42/71/26/1132427126.db2.gz DJYOXTGIFLMSTE-CQSZACIVSA-N 2 1 278.415 3.509 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC001232146675 1132428590 /nfs/dbraw/zinc/42/85/90/1132428590.db2.gz YAOFNUVMMRWDFN-KBPBESRZSA-N 2 1 278.415 3.508 20 0 CHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+](C)Cc2ccsc2)c1 ZINC001232146392 1132428598 /nfs/dbraw/zinc/42/85/98/1132428598.db2.gz PDDKWECKHAWFQM-UHFFFAOYSA-N 2 1 292.423 3.581 20 0 CHADMP Cc1ccccc1[C@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000842472034 1132432861 /nfs/dbraw/zinc/43/28/61/1132432861.db2.gz NGSHXRYIPDWGCX-KRWDZBQOSA-N 2 1 274.452 3.694 20 0 CHADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCCCCC[NH3+] ZINC000842471633 1132433295 /nfs/dbraw/zinc/43/32/95/1132433295.db2.gz NNKBGUSJRUBGKK-AWEZNQCLSA-N 2 1 266.404 3.728 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001173337822 1132465601 /nfs/dbraw/zinc/46/56/01/1132465601.db2.gz BNUCOEPLEMBUJX-INIZCTEOSA-N 2 1 275.440 3.674 20 0 CHADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1CCCC2(CCCCC2)C1 ZINC001173339327 1132465855 /nfs/dbraw/zinc/46/58/55/1132465855.db2.gz NQIBXRPTKYZNPM-OAHLLOKOSA-N 2 1 275.440 3.758 20 0 CHADMP C[NH+]1CCC([NH2+][C@@H]2CCCC3(CCCCC3)C2)CC1 ZINC001173339583 1132466440 /nfs/dbraw/zinc/46/64/40/1132466440.db2.gz PAMIERMEYFGWID-MRXNPFEDSA-N 2 1 264.457 3.563 20 0 CHADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCCC4(CCCCC4)C3)C[C@@H]2C1 ZINC001173343866 1132468498 /nfs/dbraw/zinc/46/84/98/1132468498.db2.gz KLZCDEJXXQCSFP-FGTMMUONSA-N 2 1 290.495 3.763 20 0 CHADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCCC4(CCCCC4)C3)C[C@@H]2C1 ZINC001173343866 1132468504 /nfs/dbraw/zinc/46/85/04/1132468504.db2.gz KLZCDEJXXQCSFP-FGTMMUONSA-N 2 1 290.495 3.763 20 0 CHADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCCC4(CCCCC4)C3)C[C@@H]2C1 ZINC001173343866 1132468507 /nfs/dbraw/zinc/46/85/07/1132468507.db2.gz KLZCDEJXXQCSFP-FGTMMUONSA-N 2 1 290.495 3.763 20 0 CHADMP Cc1cc[nH+]c(C)c1Nc1ccccc1C[NH+](C)C ZINC001173929064 1132642443 /nfs/dbraw/zinc/64/24/43/1132642443.db2.gz KBOYZMPIDIXDHT-UHFFFAOYSA-N 2 1 255.365 3.504 20 0 CHADMP C[C@@H]1CCCC[N@@H+]1CCCNc1ccc2c([nH+]1)CCCC2 ZINC001156929494 1132716752 /nfs/dbraw/zinc/71/67/52/1132716752.db2.gz WWZLANUJBCCMNW-OAHLLOKOSA-N 2 1 287.451 3.637 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCNc1ccc2c([nH+]1)CCCC2 ZINC001156929494 1132716756 /nfs/dbraw/zinc/71/67/56/1132716756.db2.gz WWZLANUJBCCMNW-OAHLLOKOSA-N 2 1 287.451 3.637 20 0 CHADMP Cc1ccc2c(C)cc(NCC[C@H]3CCC[NH2+]3)[nH+]c2c1C ZINC001158627650 1132788082 /nfs/dbraw/zinc/78/80/82/1132788082.db2.gz XLGRLDHDWCWPHM-OAHLLOKOSA-N 2 1 283.419 3.714 20 0 CHADMP Cc1cc[nH+]c(Nc2ccc([C@H]3CCC[NH2+]3)cc2)c1 ZINC001159104704 1132806107 /nfs/dbraw/zinc/80/61/07/1132806107.db2.gz GMRPEWIYPHLIFQ-OAHLLOKOSA-N 2 1 253.349 3.558 20 0 CHADMP Cc1c[nH+]c(Nc2ccc(C(C)(C)[NH3+])cc2)c(C)c1 ZINC001159234817 1132818598 /nfs/dbraw/zinc/81/85/98/1132818598.db2.gz UTZSDFUSHYVWTE-UHFFFAOYSA-N 2 1 255.365 3.636 20 0 CHADMP CC[NH+](CC)c1ccc(Nc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001159426781 1132841758 /nfs/dbraw/zinc/84/17/58/1132841758.db2.gz LFXHQFWVNKYGMM-UHFFFAOYSA-N 2 1 281.403 3.880 20 0 CHADMP Cc1cc(Nc2ccc([NH+]3CCCCCC3)cc2)cc[nH+]1 ZINC001174656796 1132951968 /nfs/dbraw/zinc/95/19/68/1132951968.db2.gz HLTHTADXAQTFMD-UHFFFAOYSA-N 2 1 281.403 3.936 20 0 CHADMP Cc1cc[nH+]c2cc(NC[C@H]3CCC[NH2+]C[C@@H]3C)ccc12 ZINC001162465201 1133079968 /nfs/dbraw/zinc/07/99/68/1133079968.db2.gz DOXIGYPUMLMTCN-LSDHHAIUSA-N 2 1 283.419 3.591 20 0 CHADMP Cc1cc2cc(NCC[C@H]3CCC[N@H+](C)C3)ccc2c[nH+]1 ZINC001165300721 1133238112 /nfs/dbraw/zinc/23/81/12/1133238112.db2.gz RNZVMHUOJYAEFL-OAHLLOKOSA-N 2 1 283.419 3.687 20 0 CHADMP CN1CCC[C@@H]2C[N@@H+](Cc3ccc(C(C)(C)C)cc3)C[C@@H]21 ZINC001204398700 1133255446 /nfs/dbraw/zinc/25/54/46/1133255446.db2.gz MNHDXICGONLEMS-AEFFLSMTSA-N 2 1 286.463 3.510 20 0 CHADMP C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(C(C)(C)C)cc3)C[C@@H]21 ZINC001204398700 1133255447 /nfs/dbraw/zinc/25/54/47/1133255447.db2.gz MNHDXICGONLEMS-AEFFLSMTSA-N 2 1 286.463 3.510 20 0 CHADMP C[N@H+]1CCC[C@@H]2CN(Cc3ccc(C(C)(C)C)cc3)C[C@@H]21 ZINC001204398700 1133255452 /nfs/dbraw/zinc/25/54/52/1133255452.db2.gz MNHDXICGONLEMS-AEFFLSMTSA-N 2 1 286.463 3.510 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(C)cc2C)CC1 ZINC001203744319 1133363305 /nfs/dbraw/zinc/36/33/05/1133363305.db2.gz APOUOHHLTLZEBJ-UHFFFAOYSA-N 2 1 288.479 4.000 20 0 CHADMP c1ccc2c(c1)cccc2C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001203988730 1133394629 /nfs/dbraw/zinc/39/46/29/1133394629.db2.gz MGTWRNSOBHDFNZ-UHFFFAOYSA-N 2 1 280.415 3.510 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC001204161891 1133412460 /nfs/dbraw/zinc/41/24/60/1133412460.db2.gz HNAMINCQACIZNO-IAGOWNOFSA-N 2 1 280.500 3.867 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC001204161891 1133412461 /nfs/dbraw/zinc/41/24/61/1133412461.db2.gz HNAMINCQACIZNO-IAGOWNOFSA-N 2 1 280.500 3.867 20 0 CHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cccc(F)c2F)CC1 ZINC001204199040 1133418442 /nfs/dbraw/zinc/41/84/42/1133418442.db2.gz OEOCJWNGPFITLO-UHFFFAOYSA-N 2 1 296.405 3.517 20 0 CHADMP CCCCC[N@@H+](C)Cc1sc(C2CC[NH2+]CC2)nc1C ZINC001204621864 1133468321 /nfs/dbraw/zinc/46/83/21/1133468321.db2.gz PNYJACACKYJAHN-UHFFFAOYSA-N 2 1 295.496 3.541 20 0 CHADMP Cc1c[nH+]c(Nc2ccc(C[NH2+]C(C)(C)C)cc2)c(N)c1 ZINC001204677683 1133473860 /nfs/dbraw/zinc/47/38/60/1133473860.db2.gz NPKXHGFTWOPJLO-UHFFFAOYSA-N 2 1 284.407 3.604 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@@](C)([NH3+])C3)cc2)cc1 ZINC001204938470 1133504044 /nfs/dbraw/zinc/50/40/44/1133504044.db2.gz LPMCBACXDUNPJE-HXUWFJFHSA-N 2 1 294.442 3.975 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CCC[C@@](C)([NH3+])C3)cc2)cc1 ZINC001204938470 1133504048 /nfs/dbraw/zinc/50/40/48/1133504048.db2.gz LPMCBACXDUNPJE-HXUWFJFHSA-N 2 1 294.442 3.975 20 0 CHADMP C[C@]1([NH3+])CCC[N@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC001204947482 1133505948 /nfs/dbraw/zinc/50/59/48/1133505948.db2.gz ZAUMYCMMDQZGCE-IBGZPJMESA-N 2 1 280.415 3.667 20 0 CHADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC001204947482 1133505954 /nfs/dbraw/zinc/50/59/54/1133505954.db2.gz ZAUMYCMMDQZGCE-IBGZPJMESA-N 2 1 280.415 3.667 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205255423 1133550266 /nfs/dbraw/zinc/55/02/66/1133550266.db2.gz IRXJYXJEGMLJKI-HOTGVXAUSA-N 2 1 252.446 3.572 20 0 CHADMP Cc1ccc(-c2cccc(C[N@@H+]3[C@@H](C)CC[C@H]3C[NH3+])c2)cc1 ZINC001205083506 1133525875 /nfs/dbraw/zinc/52/58/75/1133525875.db2.gz URTQUFUIWPTXJL-JXFKEZNVSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1ccc(-c2cccc(C[N@H+]3[C@@H](C)CC[C@H]3C[NH3+])c2)cc1 ZINC001205083506 1133525880 /nfs/dbraw/zinc/52/58/80/1133525880.db2.gz URTQUFUIWPTXJL-JXFKEZNVSA-N 2 1 294.442 3.974 20 0 CHADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccccc2Oc2ccccc2)CC1 ZINC001205101231 1133529869 /nfs/dbraw/zinc/52/98/69/1133529869.db2.gz BUDHLMQGDCOFMM-KRWDZBQOSA-N 2 1 296.414 3.792 20 0 CHADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205102951 1133529880 /nfs/dbraw/zinc/52/98/80/1133529880.db2.gz XJZBSUWZTXQJEW-CQSZACIVSA-N 2 1 299.462 3.779 20 0 CHADMP CCOc1ccc2ccccc2c1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205102640 1133530438 /nfs/dbraw/zinc/53/04/38/1133530438.db2.gz UZHOCTIBNDZRPB-MRXNPFEDSA-N 2 1 298.430 3.552 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CCC[C@H]([NH3+])CC3)cc2)cc1 ZINC001205109134 1133530870 /nfs/dbraw/zinc/53/08/70/1133530870.db2.gz BIDVTCPKUSYAIA-FQEVSTJZSA-N 2 1 294.442 3.975 20 0 CHADMP CC(C)(CC[N@H+]1CCC[C@](C)([NH3+])CC1)c1ccccc1 ZINC001205254806 1133550547 /nfs/dbraw/zinc/55/05/47/1133550547.db2.gz BMXGCVVQMMQVGI-SFHVURJKSA-N 2 1 274.452 3.558 20 0 CHADMP CC(C)c1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001205265336 1133551233 /nfs/dbraw/zinc/55/12/33/1133551233.db2.gz PYKXZKMPEKUDSU-QGZVFWFLSA-N 2 1 260.425 3.513 20 0 CHADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(C3CCC3)cc2)CC1 ZINC001205289529 1133554671 /nfs/dbraw/zinc/55/46/71/1133554671.db2.gz YQGQJMHZHODXDY-GOSISDBHSA-N 2 1 272.436 3.657 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2-c2ccccc2)C[C@H]1C[NH3+] ZINC001205304290 1133557203 /nfs/dbraw/zinc/55/72/03/1133557203.db2.gz NOFZICZJGRHSNA-VQIMIIECSA-N 2 1 294.442 3.770 20 0 CHADMP CCc1cccc2c(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])CC3)c[nH]c21 ZINC001205615774 1133594926 /nfs/dbraw/zinc/59/49/26/1133594926.db2.gz AYGJUIDWFPKXHM-GDBMZVCRSA-N 2 1 299.462 3.537 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c2ccccc12 ZINC001205618505 1133596126 /nfs/dbraw/zinc/59/61/26/1133596126.db2.gz WQKOJZOGKVSNFF-WBVHZDCISA-N 2 1 296.458 3.955 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2csc3ccccc23)CC[C@@H]1C[NH3+] ZINC001205626626 1133596144 /nfs/dbraw/zinc/59/61/44/1133596144.db2.gz HHGMKGCNTCYVRJ-ZIAGYGMSSA-N 2 1 288.460 3.708 20 0 CHADMP Cc1ccc(Cl)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1F ZINC001205618928 1133596708 /nfs/dbraw/zinc/59/67/08/1133596708.db2.gz ZGRIFBCSPOAFGM-DGCLKSJQSA-N 2 1 298.833 3.594 20 0 CHADMP CC[N@@H+](CCC[NH+]1CCCC1)CCc1cccc(Cl)c1 ZINC001205693731 1133604067 /nfs/dbraw/zinc/60/40/67/1133604067.db2.gz YSRCEGODQKZJJF-UHFFFAOYSA-N 2 1 294.870 3.690 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](CC)CC1 ZINC001205717596 1133606456 /nfs/dbraw/zinc/60/64/56/1133606456.db2.gz ROEOYDQXUPUDBE-ZACQAIPSSA-N 2 1 266.473 3.809 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](CC)CC1 ZINC001205717596 1133606457 /nfs/dbraw/zinc/60/64/57/1133606457.db2.gz ROEOYDQXUPUDBE-ZACQAIPSSA-N 2 1 266.473 3.809 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205815780 1133617946 /nfs/dbraw/zinc/61/79/46/1133617946.db2.gz HTWWAPDCFNPPEZ-OCCSQVGLSA-N 2 1 288.460 3.769 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205815780 1133617949 /nfs/dbraw/zinc/61/79/49/1133617949.db2.gz HTWWAPDCFNPPEZ-OCCSQVGLSA-N 2 1 288.460 3.769 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205917425 1133630282 /nfs/dbraw/zinc/63/02/82/1133630282.db2.gz YOSVWKMBDXXAFQ-DOTOQJQBSA-N 2 1 282.431 3.707 20 0 CHADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC001205926595 1133631496 /nfs/dbraw/zinc/63/14/96/1133631496.db2.gz SBBSVYRSCSXSKM-BZSNNMDCSA-N 2 1 280.500 3.913 20 0 CHADMP [NH3+][C@@H]1CCCC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC001205932264 1133632893 /nfs/dbraw/zinc/63/28/93/1133632893.db2.gz PEWRLOMWHCXCTN-LJQANCHMSA-N 2 1 280.415 3.667 20 0 CHADMP [NH3+][C@@H]1CCCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC001205932264 1133632896 /nfs/dbraw/zinc/63/28/96/1133632896.db2.gz PEWRLOMWHCXCTN-LJQANCHMSA-N 2 1 280.415 3.667 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3CCCC[C@H]([NH3+])C3)cc2)cc1 ZINC001205930782 1133632968 /nfs/dbraw/zinc/63/29/68/1133632968.db2.gz DJCHVVRYMJPRAJ-FQEVSTJZSA-N 2 1 294.442 3.975 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CCCC[C@H]([NH3+])C3)cc2)cc1 ZINC001205930782 1133632970 /nfs/dbraw/zinc/63/29/70/1133632970.db2.gz DJCHVVRYMJPRAJ-FQEVSTJZSA-N 2 1 294.442 3.975 20 0 CHADMP Cc1cccc(-c2ccc(C[N@@H+]3CCCC[C@H]([NH3+])C3)cc2)c1 ZINC001205938927 1133633306 /nfs/dbraw/zinc/63/33/06/1133633306.db2.gz LZJFAKPAPCIPMW-FQEVSTJZSA-N 2 1 294.442 3.975 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3CCCC[C@H]([NH3+])C3)cc2)c1 ZINC001205938927 1133633310 /nfs/dbraw/zinc/63/33/10/1133633310.db2.gz LZJFAKPAPCIPMW-FQEVSTJZSA-N 2 1 294.442 3.975 20 0 CHADMP C[C@@H]1C[N@@H+](CCCc2ccc(Cl)cc2)CCC[C@@H]1C[NH3+] ZINC001205984212 1133637734 /nfs/dbraw/zinc/63/77/34/1133637734.db2.gz RLKUULCQXXJACD-GDBMZVCRSA-N 2 1 294.870 3.579 20 0 CHADMP C[C@H]1C[N@@H+](CCCc2ccc(Cl)cc2)CCC[C@@H]1C[NH3+] ZINC001205984215 1133637861 /nfs/dbraw/zinc/63/78/61/1133637861.db2.gz RLKUULCQXXJACD-GOEBONIOSA-N 2 1 294.870 3.579 20 0 CHADMP CCCC[C@H](CC)C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205981755 1133637887 /nfs/dbraw/zinc/63/78/87/1133637887.db2.gz GSONHJHPGZHXNQ-PMPSAXMXSA-N 2 1 254.462 3.510 20 0 CHADMP CCc1cccc2c(C[N@H+]3CCC[C@H](C[NH3+])[C@@H](C)C3)c[nH]c21 ZINC001205995964 1133639447 /nfs/dbraw/zinc/63/94/47/1133639447.db2.gz SISZIECIWYAWNE-GOEBONIOSA-N 2 1 299.462 3.537 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccc(F)c(C3CC3)c2)CCC[C@H]1C[NH3+] ZINC001206036556 1133646482 /nfs/dbraw/zinc/64/64/82/1133646482.db2.gz LAACYMFMOZRDCV-BBRMVZONSA-N 2 1 290.426 3.510 20 0 CHADMP [NH3+]Cc1cccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC001206049556 1133649671 /nfs/dbraw/zinc/64/96/71/1133649671.db2.gz OEVDUJIHHJTIJA-GOSISDBHSA-N 2 1 284.378 3.622 20 0 CHADMP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2)CC[C@H]1F ZINC001206184573 1133667837 /nfs/dbraw/zinc/66/78/37/1133667837.db2.gz IWHKSBCZPRTNFA-MOPGFXCFSA-N 2 1 298.405 3.615 20 0 CHADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2)CC[C@H]1F ZINC001206184573 1133667840 /nfs/dbraw/zinc/66/78/40/1133667840.db2.gz IWHKSBCZPRTNFA-MOPGFXCFSA-N 2 1 298.405 3.615 20 0 CHADMP CC1(C)CCC[N@@H+]1CC[NH2+]C1CCC(=C2CCC2)CC1 ZINC001206255617 1133676534 /nfs/dbraw/zinc/67/65/34/1133676534.db2.gz ANMXGGNSDSMRAQ-UHFFFAOYSA-N 2 1 276.468 3.874 20 0 CHADMP CC1(C)CCC[N@H+]1CC[NH2+]C1CCC(=C2CCC2)CC1 ZINC001206255617 1133676537 /nfs/dbraw/zinc/67/65/37/1133676537.db2.gz ANMXGGNSDSMRAQ-UHFFFAOYSA-N 2 1 276.468 3.874 20 0 CHADMP CCn1ccc2c1cccc2C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206305071 1133686806 /nfs/dbraw/zinc/68/68/06/1133686806.db2.gz SLJPFGWHHGBDLF-IBGZPJMESA-N 2 1 299.462 3.612 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(C3CCC3)cc2)CC1 ZINC001206326275 1133689644 /nfs/dbraw/zinc/68/96/44/1133689644.db2.gz MHASMWYHKOJOIU-IBGZPJMESA-N 2 1 286.463 3.905 20 0 CHADMP CC1=CC[C@H](CC[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)C1(C)C ZINC001206338254 1133692102 /nfs/dbraw/zinc/69/21/02/1133692102.db2.gz YQXWQXORFCIKSB-NVXWUHKLSA-N 2 1 282.447 3.522 20 0 CHADMP CC1=CC[C@H](CC[N@H+]2CCCC[C@@](F)(C[NH3+])C2)C1(C)C ZINC001206338254 1133692105 /nfs/dbraw/zinc/69/21/05/1133692105.db2.gz YQXWQXORFCIKSB-NVXWUHKLSA-N 2 1 282.447 3.522 20 0 CHADMP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001206370664 1133695702 /nfs/dbraw/zinc/69/57/02/1133695702.db2.gz OOUBPMWFEAHMDL-GOSISDBHSA-N 2 1 290.426 3.607 20 0 CHADMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001206370664 1133695704 /nfs/dbraw/zinc/69/57/04/1133695704.db2.gz OOUBPMWFEAHMDL-GOSISDBHSA-N 2 1 290.426 3.607 20 0 CHADMP C[C@]1(C[NH3+])CCCC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC001206542391 1133715686 /nfs/dbraw/zinc/71/56/86/1133715686.db2.gz ZVIZNUMWXPSAMM-QGZVFWFLSA-N 2 1 294.870 3.724 20 0 CHADMP CC1=CC[C@H](CC[N@H+]2CCCC[C@](C)(C[NH3+])C2)C1(C)C ZINC001206542010 1133715752 /nfs/dbraw/zinc/71/57/52/1133715752.db2.gz PCTFTCMVZJMCNY-SJLPKXTDSA-N 2 1 278.484 3.820 20 0 CHADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2csc3ccccc23)C1 ZINC001206555989 1133717348 /nfs/dbraw/zinc/71/73/48/1133717348.db2.gz LQRMYMUHGUQGPA-QGZVFWFLSA-N 2 1 288.460 3.852 20 0 CHADMP CC(C)[N@@H+](Cc1ccc(F)c(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC001206582760 1133721714 /nfs/dbraw/zinc/72/17/14/1133721714.db2.gz PLZFHHHTBMOZPC-AWEZNQCLSA-N 2 1 298.833 3.832 20 0 CHADMP CC(C)[N@@H+](Cc1csc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC001206588552 1133723201 /nfs/dbraw/zinc/72/32/01/1133723201.db2.gz BFCADNYKLLPJBF-ZDUSSCGKSA-N 2 1 286.872 3.754 20 0 CHADMP Cc1cc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc(C)c1F ZINC001206588874 1133723685 /nfs/dbraw/zinc/72/36/85/1133723685.db2.gz CSGJFKBSXDVCKZ-KRWDZBQOSA-N 2 1 292.442 3.795 20 0 CHADMP Cc1cc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)sc1C ZINC001206599106 1133725419 /nfs/dbraw/zinc/72/54/19/1133725419.db2.gz NVPGEUSODPKYSQ-HNNXBMFYSA-N 2 1 280.481 3.717 20 0 CHADMP Cc1c(F)cc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc1F ZINC001206599660 1133725801 /nfs/dbraw/zinc/72/58/01/1133725801.db2.gz UZZDEJBIQUTIHA-HNNXBMFYSA-N 2 1 296.405 3.626 20 0 CHADMP [NH3+]C[C@@H]1CCCC[N@@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001206606561 1133726340 /nfs/dbraw/zinc/72/63/40/1133726340.db2.gz PHFGOPMOCPKKKX-QRTARXTBSA-N 2 1 292.854 3.504 20 0 CHADMP CCCCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001206714403 1133734341 /nfs/dbraw/zinc/73/43/41/1133734341.db2.gz FWWSKGBKIIJGDQ-HZPDHXFCSA-N 2 1 266.473 3.952 20 0 CHADMP CC/C=C\CCCCC[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206761317 1133743354 /nfs/dbraw/zinc/74/33/54/1133743354.db2.gz WTBZLPRLEXPXDY-MSNYOWOLSA-N 2 1 252.446 3.572 20 0 CHADMP C[C@H](CC[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C)CC(C)(C)C ZINC001206760923 1133743190 /nfs/dbraw/zinc/74/31/90/1133743190.db2.gz OGMNEGGPDVROSS-ILXRZTDVSA-N 2 1 254.462 3.508 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCC12CCC2 ZINC001207103658 1133767325 /nfs/dbraw/zinc/76/73/25/1133767325.db2.gz YSSOERHSZUSADQ-QRQLOZEOSA-N 2 1 298.474 3.677 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC001207282348 1133786612 /nfs/dbraw/zinc/78/66/12/1133786612.db2.gz JQFOJHAWKSIQGA-CYBMUJFWSA-N 2 1 282.859 3.921 20 0 CHADMP Cc1ccccc1[C@H]1CCC[N@@H+]1CC(C)(C)C[NH+](C)C ZINC001207278712 1133786711 /nfs/dbraw/zinc/78/67/11/1133786711.db2.gz CLAONHKMWOSRPN-QGZVFWFLSA-N 2 1 274.452 3.720 20 0 CHADMP CC1=CC[C@@H](CC[N@H+](C)CC2CC[NH+](C)CC2)C1(C)C ZINC001207281105 1133787454 /nfs/dbraw/zinc/78/74/54/1133787454.db2.gz VXLHPOZNQHIZLE-KRWDZBQOSA-N 2 1 278.484 3.643 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC001207285385 1133789451 /nfs/dbraw/zinc/78/94/51/1133789451.db2.gz IXEMXDVMUVIQAU-AWEZNQCLSA-N 2 1 294.870 3.717 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC001207285385 1133789454 /nfs/dbraw/zinc/78/94/54/1133789454.db2.gz IXEMXDVMUVIQAU-AWEZNQCLSA-N 2 1 294.870 3.717 20 0 CHADMP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@H+]1CC1CC[NH+](C)CC1 ZINC001207399101 1133797192 /nfs/dbraw/zinc/79/71/92/1133797192.db2.gz ZUGXLWZCOSBPEP-MSOLQXFVSA-N 2 1 296.499 3.591 20 0 CHADMP CC[N@@H+](C)C1CCN(CCc2ccc(C(C)C)cc2)CC1 ZINC001207522248 1133814665 /nfs/dbraw/zinc/81/46/65/1133814665.db2.gz CEUPITKFRLMMIP-UHFFFAOYSA-N 2 1 288.479 3.769 20 0 CHADMP CC[N@H+](C)C1CC[NH+](CCc2ccc(C(C)C)cc2)CC1 ZINC001207522248 1133814669 /nfs/dbraw/zinc/81/46/69/1133814669.db2.gz CEUPITKFRLMMIP-UHFFFAOYSA-N 2 1 288.479 3.769 20 0 CHADMP CC[N@@H+](C)C1CC[NH+](CCc2ccc(C(C)C)cc2)CC1 ZINC001207522248 1133814676 /nfs/dbraw/zinc/81/46/76/1133814676.db2.gz CEUPITKFRLMMIP-UHFFFAOYSA-N 2 1 288.479 3.769 20 0 CHADMP Cc1cccc(CC[N@H+](C)CC2CC[NH+](C(C)C)CC2)c1 ZINC001207539453 1133817213 /nfs/dbraw/zinc/81/72/13/1133817213.db2.gz VEWFYRGGTFDVQT-UHFFFAOYSA-N 2 1 288.479 3.590 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207631417 1133833961 /nfs/dbraw/zinc/83/39/61/1133833961.db2.gz HBEZMLVGCJQOTL-PJVZLEMVSA-N 2 1 288.479 3.537 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207631417 1133833967 /nfs/dbraw/zinc/83/39/67/1133833967.db2.gz HBEZMLVGCJQOTL-PJVZLEMVSA-N 2 1 288.479 3.537 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207631417 1133833971 /nfs/dbraw/zinc/83/39/71/1133833971.db2.gz HBEZMLVGCJQOTL-PJVZLEMVSA-N 2 1 288.479 3.537 20 0 CHADMP Cc1ccc2cc(C[N@@H+]3CCC(C)(C)[NH2+]C(C)(C)C3)[nH]c2c1 ZINC001207837852 1133850867 /nfs/dbraw/zinc/85/08/67/1133850867.db2.gz UNWFZIHYDUKLBL-UHFFFAOYSA-N 2 1 299.462 3.829 20 0 CHADMP Cc1ccc2cc(C[N@H+]3CCC(C)(C)[NH2+]C(C)(C)C3)[nH]c2c1 ZINC001207837852 1133850878 /nfs/dbraw/zinc/85/08/78/1133850878.db2.gz UNWFZIHYDUKLBL-UHFFFAOYSA-N 2 1 299.462 3.829 20 0 CHADMP C[N@H+](C1CC1)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001208094378 1133876747 /nfs/dbraw/zinc/87/67/47/1133876747.db2.gz LEAYPEJVRAYFMY-UHFFFAOYSA-N 2 1 264.457 3.515 20 0 CHADMP C[N@@H+](C1CC1)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001208094378 1133876753 /nfs/dbraw/zinc/87/67/53/1133876753.db2.gz LEAYPEJVRAYFMY-UHFFFAOYSA-N 2 1 264.457 3.515 20 0 CHADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@H]2c2ccccc2F)CC1 ZINC001208114408 1133879182 /nfs/dbraw/zinc/87/91/82/1133879182.db2.gz VHEXJWYSIRGSRW-KRWDZBQOSA-N 2 1 290.426 3.695 20 0 CHADMP CC[N@H+](Cc1ccc(Cl)cc1)CC1CC[NH+](CC)CC1 ZINC001208601233 1133919764 /nfs/dbraw/zinc/91/97/64/1133919764.db2.gz KWPICJRNBAZJEJ-UHFFFAOYSA-N 2 1 294.870 3.894 20 0 CHADMP CC[NH+]1CCC(C[N@H+]2CCCC[C@@H]2c2ccccc2)CC1 ZINC001208592082 1133920270 /nfs/dbraw/zinc/92/02/70/1133920270.db2.gz CXXLJQAIWXTBSN-LJQANCHMSA-N 2 1 286.463 3.946 20 0 CHADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC001208950371 1133965412 /nfs/dbraw/zinc/96/54/12/1133965412.db2.gz SNYQSENBYGWFTL-ZIFCJYIRSA-N 2 1 286.463 3.629 20 0 CHADMP C[C@@H]1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC001208950371 1133965418 /nfs/dbraw/zinc/96/54/18/1133965418.db2.gz SNYQSENBYGWFTL-ZIFCJYIRSA-N 2 1 286.463 3.629 20 0 CHADMP C[C@@H]1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC001208950371 1133965422 /nfs/dbraw/zinc/96/54/22/1133965422.db2.gz SNYQSENBYGWFTL-ZIFCJYIRSA-N 2 1 286.463 3.629 20 0 CHADMP CCC[N@@H+](CC(C)C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208957319 1133970099 /nfs/dbraw/zinc/97/00/99/1133970099.db2.gz KHLOQNVVPDMXJA-LJQANCHMSA-N 2 1 288.479 3.877 20 0 CHADMP CCC[NH+](CC(C)C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208957319 1133970103 /nfs/dbraw/zinc/97/01/03/1133970103.db2.gz KHLOQNVVPDMXJA-LJQANCHMSA-N 2 1 288.479 3.877 20 0 CHADMP CCC[NH+](CC(C)C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208957319 1133970107 /nfs/dbraw/zinc/97/01/07/1133970107.db2.gz KHLOQNVVPDMXJA-LJQANCHMSA-N 2 1 288.479 3.877 20 0 CHADMP c1ccc(CCCCC[NH+]2CCC([NH+]3CCC3)CC2)cc1 ZINC001209232287 1133993239 /nfs/dbraw/zinc/99/32/39/1133993239.db2.gz LUJSDQWFFWXUGU-UHFFFAOYSA-N 2 1 286.463 3.570 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001209289009 1134003953 /nfs/dbraw/zinc/00/39/53/1134003953.db2.gz UCDDFWUUYAQSLY-ARJAWSKDSA-N 2 1 275.440 3.658 20 0 CHADMP CC/C=C\CCCCCC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001209289009 1134003959 /nfs/dbraw/zinc/00/39/59/1134003959.db2.gz UCDDFWUUYAQSLY-ARJAWSKDSA-N 2 1 275.440 3.658 20 0 CHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc3cc[nH]c3c2)CC1 ZINC001209512809 1134031362 /nfs/dbraw/zinc/03/13/62/1134031362.db2.gz QDMGNGZZAYDTLW-UHFFFAOYSA-N 2 1 299.462 3.720 20 0 CHADMP C[C@H]1CC[N@H+](Cc2ccc(-c3cccs3)cc2)CC[NH2+]1 ZINC001210496147 1134228703 /nfs/dbraw/zinc/22/87/03/1134228703.db2.gz FMEAXVNYGHBXHR-AWEZNQCLSA-N 2 1 286.444 3.599 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2ccc(-c3cccs3)cc2)CC[NH2+]1 ZINC001210496147 1134228708 /nfs/dbraw/zinc/22/87/08/1134228708.db2.gz FMEAXVNYGHBXHR-AWEZNQCLSA-N 2 1 286.444 3.599 20 0 CHADMP Cc1ccc(-c2cccc(C[N@@H+]3CC[NH2+][C@@H](C)CC3)c2)cc1 ZINC001210499218 1134230778 /nfs/dbraw/zinc/23/07/78/1134230778.db2.gz TVWAWRWKZRMEHB-KRWDZBQOSA-N 2 1 294.442 3.846 20 0 CHADMP Cc1ccc(-c2cccc(C[N@H+]3CC[NH2+][C@@H](C)CC3)c2)cc1 ZINC001210499218 1134230781 /nfs/dbraw/zinc/23/07/81/1134230781.db2.gz TVWAWRWKZRMEHB-KRWDZBQOSA-N 2 1 294.442 3.846 20 0 CHADMP c1csc(CC[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222161853 1135203549 /nfs/dbraw/zinc/20/35/49/1135203549.db2.gz ROWQVSSXFMUVCM-KRWDZBQOSA-N 2 1 292.492 3.536 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222259383 1135215569 /nfs/dbraw/zinc/21/55/69/1135215569.db2.gz OJUCDPHUSYLGGW-QZTJIDSGSA-N 2 1 278.484 3.835 20 0 CHADMP c1cc(C2CCC2)ccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222277835 1135217388 /nfs/dbraw/zinc/21/73/88/1135217388.db2.gz SWRKPEQJJRMMOW-HXUWFJFHSA-N 2 1 298.474 3.920 20 0 CHADMP Cc1cccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1Cl ZINC001222276461 1135217449 /nfs/dbraw/zinc/21/74/49/1135217449.db2.gz CVJABCIOBNNCCM-KRWDZBQOSA-N 2 1 292.854 3.614 20 0 CHADMP Cc1cccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1Cl ZINC001222276461 1135217453 /nfs/dbraw/zinc/21/74/53/1135217453.db2.gz CVJABCIOBNNCCM-KRWDZBQOSA-N 2 1 292.854 3.614 20 0 CHADMP CC1=C[C@@H](C)[C@H](C[NH+]2CCC3(CCCC[NH2+]3)CC2)CC1 ZINC001222287376 1135218899 /nfs/dbraw/zinc/21/88/99/1135218899.db2.gz IEDBFHMMECTXDA-SJORKVTESA-N 2 1 276.468 3.587 20 0 CHADMP CCCc1ccc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)cc1 ZINC001222292688 1135220050 /nfs/dbraw/zinc/22/00/50/1135220050.db2.gz ILLBRHHPTAKIPS-UHFFFAOYSA-N 2 1 286.463 3.747 20 0 CHADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)CC1 ZINC001222308543 1135221728 /nfs/dbraw/zinc/22/17/28/1135221728.db2.gz JLGWLPCRKPHKLX-OKZBNKHCSA-N 2 1 276.468 3.587 20 0 CHADMP c1ccc(CCCC[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc1 ZINC001222309257 1135222967 /nfs/dbraw/zinc/22/29/67/1135222967.db2.gz PAXUTVZZYZWHLS-IBGZPJMESA-N 2 1 286.463 3.617 20 0 CHADMP Fc1ccc(Cl)c(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222314035 1135224233 /nfs/dbraw/zinc/22/42/33/1135224233.db2.gz ARAIIRVBPYWPRS-MRXNPFEDSA-N 2 1 296.817 3.587 20 0 CHADMP Fc1ccc(Cl)c(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222314035 1135224238 /nfs/dbraw/zinc/22/42/38/1135224238.db2.gz ARAIIRVBPYWPRS-MRXNPFEDSA-N 2 1 296.817 3.587 20 0 CHADMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222321562 1135224863 /nfs/dbraw/zinc/22/48/63/1135224863.db2.gz ZAUDRCNKWOEZBP-QGZVFWFLSA-N 2 1 292.854 3.757 20 0 CHADMP c1cc2cccc(C[N@H+]3CCC[C@@]34CCC[NH2+]CC4)c2o1 ZINC001222321313 1135225425 /nfs/dbraw/zinc/22/54/25/1135225425.db2.gz SONXUMRHTKRBMD-GOSISDBHSA-N 2 1 284.403 3.541 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222344638 1135230030 /nfs/dbraw/zinc/23/00/30/1135230030.db2.gz BBJMYDKSQUROOX-QZTJIDSGSA-N 2 1 278.484 3.977 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222344638 1135230037 /nfs/dbraw/zinc/23/00/37/1135230037.db2.gz BBJMYDKSQUROOX-QZTJIDSGSA-N 2 1 278.484 3.977 20 0 CHADMP C[C@@H](CC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2)CC(C)(C)C ZINC001222421712 1135239700 /nfs/dbraw/zinc/23/97/00/1135239700.db2.gz OXROPHOUMPHRCH-RDJZCZTQSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@@H](CC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2)CC(C)(C)C ZINC001222421712 1135239704 /nfs/dbraw/zinc/23/97/04/1135239704.db2.gz OXROPHOUMPHRCH-RDJZCZTQSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@H](CC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2)CC(C)(C)C ZINC001222421714 1135239956 /nfs/dbraw/zinc/23/99/56/1135239956.db2.gz OXROPHOUMPHRCH-WBVHZDCISA-N 2 1 266.473 3.667 20 0 CHADMP C[C@H](CC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2)CC(C)(C)C ZINC001222421714 1135239960 /nfs/dbraw/zinc/23/99/60/1135239960.db2.gz OXROPHOUMPHRCH-WBVHZDCISA-N 2 1 266.473 3.667 20 0 CHADMP CC1(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)CCCCC1 ZINC001222595830 1135254021 /nfs/dbraw/zinc/25/40/21/1135254021.db2.gz JZILAQZCFNWTND-SFHVURJKSA-N 2 1 298.474 3.646 20 0 CHADMP C[C@H](C[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21)c1cccc2ccccc21 ZINC001222616189 1135256280 /nfs/dbraw/zinc/25/62/80/1135256280.db2.gz ZCXRELJYXOTHKF-OXFYSEKESA-N 2 1 294.442 3.627 20 0 CHADMP C[N@H+](Cc1cccc(Oc2ccccc2)c1)C1CC[NH2+]CC1 ZINC000347069200 529995286 /nfs/dbraw/zinc/99/52/86/529995286.db2.gz OPYLZWFESPUYAW-UHFFFAOYSA-N 2 1 296.414 3.663 20 0 CHADMP C[N@@H+](Cc1cccc(Oc2ccccc2)c1)C1CC[NH2+]CC1 ZINC000347069200 529995288 /nfs/dbraw/zinc/99/52/88/529995288.db2.gz OPYLZWFESPUYAW-UHFFFAOYSA-N 2 1 296.414 3.663 20 0 CHADMP Cc1ccccc1C1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000179426108 260048097 /nfs/dbraw/zinc/04/80/97/260048097.db2.gz JEPZANSVLCPNDE-SFHVURJKSA-N 2 1 286.463 3.659 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCc2ccc(C(C)C)cc21 ZINC000341794524 130032103 /nfs/dbraw/zinc/03/21/03/130032103.db2.gz ZVCLZOFVKLEDIQ-LJQANCHMSA-N 2 1 297.446 3.982 20 0 CHADMP CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000341890010 130115790 /nfs/dbraw/zinc/11/57/90/130115790.db2.gz FSKXIOBUERLXEJ-OLZOCXBDSA-N 2 1 289.398 3.844 20 0 CHADMP C[C@H](C[NH2+][C@H](C)c1ccc(F)c(F)c1)C[NH+]1CCCCC1 ZINC000038041691 174042905 /nfs/dbraw/zinc/04/29/05/174042905.db2.gz XBEZWGPSDIFWBF-ZIAGYGMSSA-N 2 1 296.405 3.737 20 0 CHADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccccc1F ZINC000038041756 174043580 /nfs/dbraw/zinc/04/35/80/174043580.db2.gz JOCHEXROAUIRHR-LSDHHAIUSA-N 2 1 278.415 3.598 20 0 CHADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccc(F)cc1F ZINC000038041694 174043632 /nfs/dbraw/zinc/04/36/32/174043632.db2.gz UEYVUYCZDJJMRY-UONOGXRCSA-N 2 1 296.405 3.737 20 0 CHADMP C[C@@H](C[NH2+][C@@H](C)c1ccccc1F)C[NH+]1CCCCC1 ZINC000038041754 174043723 /nfs/dbraw/zinc/04/37/23/174043723.db2.gz JOCHEXROAUIRHR-GJZGRUSLSA-N 2 1 278.415 3.598 20 0 CHADMP CC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1OC ZINC000037229255 260075671 /nfs/dbraw/zinc/07/56/71/260075671.db2.gz ZMUNHQAYDDCYDR-KRWDZBQOSA-N 2 1 290.451 3.612 20 0 CHADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cc2ccccc2s1 ZINC000347111859 226030640 /nfs/dbraw/zinc/03/06/40/226030640.db2.gz QCHQNAZIWZJYAT-WFASDCNBSA-N 2 1 274.433 3.603 20 0 CHADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cc2ccccc2s1 ZINC000347111859 226030644 /nfs/dbraw/zinc/03/06/44/226030644.db2.gz QCHQNAZIWZJYAT-WFASDCNBSA-N 2 1 274.433 3.603 20 0 CHADMP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000347173523 226069190 /nfs/dbraw/zinc/06/91/90/226069190.db2.gz OZFBPHRMVBUPBD-OAHLLOKOSA-N 2 1 298.405 3.663 20 0 CHADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000347173523 226069192 /nfs/dbraw/zinc/06/91/92/226069192.db2.gz OZFBPHRMVBUPBD-OAHLLOKOSA-N 2 1 298.405 3.663 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C1CC(OC(C)(C)C)C1 ZINC000352566983 227070283 /nfs/dbraw/zinc/07/02/83/227070283.db2.gz HMHXUQZFXZJICL-GTPINHCMSA-N 2 1 296.499 3.577 20 0 CHADMP C[C@@H]1CCC[C@H](CC[NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000352760369 227198753 /nfs/dbraw/zinc/19/87/53/227198753.db2.gz PBLTZPRUMGQOSJ-ZIAGYGMSSA-N 2 1 295.496 3.511 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000353241941 228073334 /nfs/dbraw/zinc/07/33/34/228073334.db2.gz GVIACPQVFNYJDB-ZDUSSCGKSA-N 2 1 299.409 3.775 20 0 CHADMP Cc1ccccc1C1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000179426117 260048027 /nfs/dbraw/zinc/04/80/27/260048027.db2.gz JEPZANSVLCPNDE-GOSISDBHSA-N 2 1 286.463 3.659 20 0 CHADMP CC(C)[N@H+](Cc1cccc(Cl)c1)CC1CC[NH2+]CC1 ZINC000094012374 260342749 /nfs/dbraw/zinc/34/27/49/260342749.db2.gz HKORYBZFANJVLN-UHFFFAOYSA-N 2 1 280.843 3.550 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000094021285 260342838 /nfs/dbraw/zinc/34/28/38/260342838.db2.gz HLPBYCSOEDMRLK-CYBMUJFWSA-N 2 1 292.854 3.865 20 0 CHADMP CC[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(Cl)s1 ZINC000518211739 260356820 /nfs/dbraw/zinc/35/68/20/260356820.db2.gz JOMKFCQXKLJIFD-GFCCVEGCSA-N 2 1 297.855 3.809 20 0 CHADMP CCc1ccc([C@H](CC)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000130184588 260393187 /nfs/dbraw/zinc/39/31/87/260393187.db2.gz TWIUJSLQGCJUBT-QRVBRYPASA-N 2 1 286.463 3.917 20 0 CHADMP CC[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000049093246 260658462 /nfs/dbraw/zinc/65/84/62/260658462.db2.gz WJDBMKWSBGBUJH-DLBZAZTESA-N 2 1 288.479 3.718 20 0 CHADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152867037 261070452 /nfs/dbraw/zinc/07/04/52/261070452.db2.gz QZTORFPEBDFYCF-VKJFTORMSA-N 2 1 284.447 3.617 20 0 CHADMP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152867297 261070636 /nfs/dbraw/zinc/07/06/36/261070636.db2.gz QZTORFPEBDFYCF-RLFYNMQTSA-N 2 1 284.447 3.617 20 0 CHADMP CCOc1ccccc1[C@H](CC)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000153945432 261085456 /nfs/dbraw/zinc/08/54/56/261085456.db2.gz XQOZJYLZIARZOW-VYDXJSESSA-N 2 1 290.451 3.609 20 0 CHADMP CCOc1ccccc1[C@H](CC)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000153945432 261085457 /nfs/dbraw/zinc/08/54/57/261085457.db2.gz XQOZJYLZIARZOW-VYDXJSESSA-N 2 1 290.451 3.609 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2c(c1)CCCC2 ZINC000161643246 261107496 /nfs/dbraw/zinc/10/74/96/261107496.db2.gz GHQGOGPEJREOJE-CWFSZBLJSA-N 2 1 298.474 3.843 20 0 CHADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000449068575 261146898 /nfs/dbraw/zinc/14/68/98/261146898.db2.gz BWDTZVJYUOBSQO-WBVHZDCISA-N 2 1 278.484 3.808 20 0 CHADMP CCC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)C1CCCC1 ZINC000449075692 261150561 /nfs/dbraw/zinc/15/05/61/261150561.db2.gz RLXHRTWIHNUGIU-RHSMWYFYSA-N 2 1 277.456 3.776 20 0 CHADMP Cc1cc(NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000302551328 261353868 /nfs/dbraw/zinc/35/38/68/261353868.db2.gz IHWQWWVCAUDDAU-MRXNPFEDSA-N 2 1 283.419 3.713 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000178033920 261724007 /nfs/dbraw/zinc/72/40/07/261724007.db2.gz NFDMFAADAKGAFF-OAHLLOKOSA-N 2 1 285.435 3.617 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C(F)F)cc2)CC[N@@H+]1C ZINC000183955188 262002093 /nfs/dbraw/zinc/00/20/93/262002093.db2.gz KXSXVXCKJXKPHT-DOMZBBRYSA-N 2 1 282.378 3.539 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C(F)F)cc2)CC[N@H+]1C ZINC000183955188 262002095 /nfs/dbraw/zinc/00/20/95/262002095.db2.gz KXSXVXCKJXKPHT-DOMZBBRYSA-N 2 1 282.378 3.539 20 0 CHADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C(F)F)cc2)CC[NH+]1C ZINC000183955188 262002097 /nfs/dbraw/zinc/00/20/97/262002097.db2.gz KXSXVXCKJXKPHT-DOMZBBRYSA-N 2 1 282.378 3.539 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C(F)F)cc2)CC[NH+]1C ZINC000183955188 262002098 /nfs/dbraw/zinc/00/20/98/262002098.db2.gz KXSXVXCKJXKPHT-DOMZBBRYSA-N 2 1 282.378 3.539 20 0 CHADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2sccc2OC)CC1 ZINC000186136196 262080695 /nfs/dbraw/zinc/08/06/95/262080695.db2.gz SQDFTNWYESUZNG-CYBMUJFWSA-N 2 1 296.480 3.672 20 0 CHADMP Cc1ccc(SC[C@@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000186471042 262094628 /nfs/dbraw/zinc/09/46/28/262094628.db2.gz ZHGUTISOVCOGEZ-OAGGEKHMSA-N 2 1 292.492 3.548 20 0 CHADMP Cc1ccc(SC[C@@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000186471042 262094629 /nfs/dbraw/zinc/09/46/29/262094629.db2.gz ZHGUTISOVCOGEZ-OAGGEKHMSA-N 2 1 292.492 3.548 20 0 CHADMP Cc1ccc(SC[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000186471026 262094739 /nfs/dbraw/zinc/09/47/39/262094739.db2.gz ZHGUTISOVCOGEZ-ARFHVFGLSA-N 2 1 292.492 3.548 20 0 CHADMP Cc1ccc(SC[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000186471026 262094741 /nfs/dbraw/zinc/09/47/41/262094741.db2.gz ZHGUTISOVCOGEZ-ARFHVFGLSA-N 2 1 292.492 3.548 20 0 CHADMP Cc1ccsc1C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000019913230 262206036 /nfs/dbraw/zinc/20/60/36/262206036.db2.gz NTUSJJRNANVRFR-UHFFFAOYSA-N 2 1 288.460 3.668 20 0 CHADMP Cc1ccsc1C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000019913230 262206038 /nfs/dbraw/zinc/20/60/38/262206038.db2.gz NTUSJJRNANVRFR-UHFFFAOYSA-N 2 1 288.460 3.668 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H]1C ZINC000390692809 262241490 /nfs/dbraw/zinc/24/14/90/262241490.db2.gz QKEURAFBGKYIMT-HQXSIMGVSA-N 2 1 298.474 3.816 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000221785590 262296361 /nfs/dbraw/zinc/29/63/61/262296361.db2.gz IBBAXUXVEJWHEQ-UHFFFAOYSA-N 2 1 288.357 3.525 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000221785590 262296362 /nfs/dbraw/zinc/29/63/62/262296362.db2.gz IBBAXUXVEJWHEQ-UHFFFAOYSA-N 2 1 288.357 3.525 20 0 CHADMP CC(C)=CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000188443811 262296789 /nfs/dbraw/zinc/29/67/89/262296789.db2.gz FAPVVGIBZKFGJF-FUHWJXTLSA-N 2 1 272.436 3.595 20 0 CHADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000221836499 262304395 /nfs/dbraw/zinc/30/43/95/262304395.db2.gz GFLGAJHXMDNPEN-XKQJLSEDSA-N 2 1 278.415 3.595 20 0 CHADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000221836499 262304397 /nfs/dbraw/zinc/30/43/97/262304397.db2.gz GFLGAJHXMDNPEN-XKQJLSEDSA-N 2 1 278.415 3.595 20 0 CHADMP CC(C)[N@@H+](C)CCCN[C@H](C)c1cc2ccccc2o1 ZINC000221926752 262327892 /nfs/dbraw/zinc/32/78/92/262327892.db2.gz RVEWQPRVDKCSBF-CQSZACIVSA-N 2 1 274.408 3.814 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000221926752 262327893 /nfs/dbraw/zinc/32/78/93/262327893.db2.gz RVEWQPRVDKCSBF-CQSZACIVSA-N 2 1 274.408 3.814 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000221926752 262327894 /nfs/dbraw/zinc/32/78/94/262327894.db2.gz RVEWQPRVDKCSBF-CQSZACIVSA-N 2 1 274.408 3.814 20 0 CHADMP CC1(C)CC[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000390775378 262345084 /nfs/dbraw/zinc/34/50/84/262345084.db2.gz MMDKODVUKMIKQI-QZTJIDSGSA-N 2 1 286.463 3.677 20 0 CHADMP CC(C)[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000390782846 262346067 /nfs/dbraw/zinc/34/60/67/262346067.db2.gz UGKACKAREGMKCS-MJGOQNOKSA-N 2 1 288.479 3.923 20 0 CHADMP CC(C)[C@H](C[NH2+]C[C@H](C)c1ccccc1)[NH+]1CCCC1 ZINC000021045011 262374775 /nfs/dbraw/zinc/37/47/75/262374775.db2.gz FEJDUKMCJJEFEC-WMZOPIPTSA-N 2 1 274.452 3.500 20 0 CHADMP CC(C)[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414689550 263032591 /nfs/dbraw/zinc/03/25/91/263032591.db2.gz GDVPIDYKBSTXGK-NUJGCVRESA-N 2 1 274.452 3.704 20 0 CHADMP [NH3+]CCC[N@@H+]1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000414689493 263032678 /nfs/dbraw/zinc/03/26/78/263032678.db2.gz GMQIOGQWAKMZMQ-CQSZACIVSA-N 2 1 286.341 3.581 20 0 CHADMP [NH3+]CCC[N@H+]1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000414689493 263032679 /nfs/dbraw/zinc/03/26/79/263032679.db2.gz GMQIOGQWAKMZMQ-CQSZACIVSA-N 2 1 286.341 3.581 20 0 CHADMP C[C@@]1(c2ccccc2)CC[C@@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000414760828 263040110 /nfs/dbraw/zinc/04/01/10/263040110.db2.gz HQWZBGIKERKLKY-RTBURBONSA-N 2 1 298.474 3.572 20 0 CHADMP CCC[C@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000414775177 263043825 /nfs/dbraw/zinc/04/38/25/263043825.db2.gz ZPAUJUHSSZOCKO-CEXWTWQISA-N 2 1 286.463 3.502 20 0 CHADMP C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414855086 263071782 /nfs/dbraw/zinc/07/17/82/263071782.db2.gz WDEIBWWTCFDBFS-KDOFPFPSSA-N 2 1 292.442 3.644 20 0 CHADMP [NH3+]C1(C[NH2+]Cc2cc(Cl)cs2)CCCCCC1 ZINC000414862597 263076319 /nfs/dbraw/zinc/07/63/19/263076319.db2.gz VNTJWRZQVZQWHP-UHFFFAOYSA-N 2 1 272.845 3.543 20 0 CHADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000414963449 263167395 /nfs/dbraw/zinc/16/73/95/263167395.db2.gz TXHYFHJJWPMLDR-AUUYWEPGSA-N 2 1 298.405 3.580 20 0 CHADMP CCn1c2ccccc2c2cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])ccc21 ZINC000415006649 263218737 /nfs/dbraw/zinc/21/87/37/263218737.db2.gz KUFHYLQQAPKPCE-ZIAGYGMSSA-N 2 1 295.430 3.640 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415032805 263256814 /nfs/dbraw/zinc/25/68/14/263256814.db2.gz AWFMQGQIHOHBPX-PBHICJAKSA-N 2 1 292.854 3.612 20 0 CHADMP C[C@H](CC[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccccc1 ZINC000415036145 263257158 /nfs/dbraw/zinc/25/71/58/263257158.db2.gz FJMSTJKPGKBVJY-LSTHTHJFSA-N 2 1 294.442 3.525 20 0 CHADMP c1ccc2cc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)ccc2c1 ZINC000415036708 263257183 /nfs/dbraw/zinc/25/71/83/263257183.db2.gz GCSCNTULBQCJHC-WOJBJXKFSA-N 2 1 294.442 3.804 20 0 CHADMP [NH3+]C[C@H]([NH2+][C@H]1CC[C@H](Cc2ccccc2)C1)C1CCCC1 ZINC000415070767 263261302 /nfs/dbraw/zinc/26/13/02/263261302.db2.gz VNGZZVWREACDIE-NEWSRXKRSA-N 2 1 286.463 3.505 20 0 CHADMP [NH3+]C[C@@H]([NH2+]Cc1cc2ccccc2s1)C1CCCC1 ZINC000415073894 263264300 /nfs/dbraw/zinc/26/43/00/263264300.db2.gz ZZNSYHHHMLDOKY-OAHLLOKOSA-N 2 1 274.433 3.508 20 0 CHADMP Cc1ccc([C@H]([NH2+]C2CC[NH+](C)CC2)C2CCCC2)cc1 ZINC000187708836 263266937 /nfs/dbraw/zinc/26/69/37/263266937.db2.gz VNISJTJIYYNBOE-LJQANCHMSA-N 2 1 286.463 3.910 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc2c(s1)CCC2 ZINC000453403411 263267033 /nfs/dbraw/zinc/26/70/33/263267033.db2.gz OJBJYUFROXJIKN-CYBMUJFWSA-N 2 1 292.492 3.762 20 0 CHADMP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000187801689 263268990 /nfs/dbraw/zinc/26/89/90/263268990.db2.gz CEULMMXWUAALBF-DKSSEZFCSA-N 2 1 286.463 3.870 20 0 CHADMP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)CC2 ZINC000187801689 263268992 /nfs/dbraw/zinc/26/89/92/263268992.db2.gz CEULMMXWUAALBF-DKSSEZFCSA-N 2 1 286.463 3.870 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000189307162 264287380 /nfs/dbraw/zinc/28/73/80/264287380.db2.gz BZFONSLIMXQNCW-UHFFFAOYSA-N 2 1 297.446 3.635 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)CC1(c2ccccc2)CC1 ZINC000189307162 264287383 /nfs/dbraw/zinc/28/73/83/264287383.db2.gz BZFONSLIMXQNCW-UHFFFAOYSA-N 2 1 297.446 3.635 20 0 CHADMP CC1(C)CC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000314691663 265178124 /nfs/dbraw/zinc/17/81/24/265178124.db2.gz LSLWAVKKQCMVFL-HNAYVOBHSA-N 2 1 298.474 3.873 20 0 CHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cc(F)cc(F)c1 ZINC000094825997 265258330 /nfs/dbraw/zinc/25/83/30/265258330.db2.gz HBEBFJISJCRQKI-KGLIPLIRSA-N 2 1 296.405 3.880 20 0 CHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cc(F)cc(F)c1 ZINC000094825997 265258334 /nfs/dbraw/zinc/25/83/34/265258334.db2.gz HBEBFJISJCRQKI-KGLIPLIRSA-N 2 1 296.405 3.880 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccnc1 ZINC000356703576 266162171 /nfs/dbraw/zinc/16/21/71/266162171.db2.gz VAYLIPQMMXABOB-HNNXBMFYSA-N 2 1 287.451 3.529 20 0 CHADMP CC[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(C)cc1 ZINC000356818639 266179599 /nfs/dbraw/zinc/17/95/99/266179599.db2.gz WLKQQXMKSDSMRC-MSOLQXFVSA-N 2 1 274.452 3.910 20 0 CHADMP CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000570898272 327631903 /nfs/dbraw/zinc/63/19/03/327631903.db2.gz JJRIAOURGFCLOI-USXIJHARSA-N 2 1 277.456 3.776 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cccc(C)c1C ZINC000164605282 327722488 /nfs/dbraw/zinc/72/24/88/327722488.db2.gz DGDKEDWOVVSAHM-INIZCTEOSA-N 2 1 285.435 3.939 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)[C@H](C)C1 ZINC000531694531 328025192 /nfs/dbraw/zinc/02/51/92/328025192.db2.gz BJHUIJYUUWVDJZ-CRAIPNDOSA-N 2 1 288.479 3.804 20 0 CHADMP CC(C)CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)C ZINC000531711785 328027594 /nfs/dbraw/zinc/02/75/94/328027594.db2.gz ZPJBRNGRALNBDN-PMPSAXMXSA-N 2 1 268.489 3.910 20 0 CHADMP CC(C)CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)C ZINC000531711785 328027595 /nfs/dbraw/zinc/02/75/95/328027595.db2.gz ZPJBRNGRALNBDN-PMPSAXMXSA-N 2 1 268.489 3.910 20 0 CHADMP CC(C)CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)C ZINC000531711784 328027643 /nfs/dbraw/zinc/02/76/43/328027643.db2.gz ZPJBRNGRALNBDN-OAGGEKHMSA-N 2 1 268.489 3.910 20 0 CHADMP CC(C)CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)C ZINC000531711784 328027644 /nfs/dbraw/zinc/02/76/44/328027644.db2.gz ZPJBRNGRALNBDN-OAGGEKHMSA-N 2 1 268.489 3.910 20 0 CHADMP CC(C)[C@@H](C)[NH+](C)CCCC[N@H+](C)[C@H](C)C(C)C ZINC000534274712 328043333 /nfs/dbraw/zinc/04/33/33/328043333.db2.gz AIGWPYXPGPCZQH-HZPDHXFCSA-N 2 1 256.478 3.719 20 0 CHADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCC[C@H]1C1CCCCC1 ZINC000401766745 328056784 /nfs/dbraw/zinc/05/67/84/328056784.db2.gz LXJHXHMUSODFAM-ROUUACIJSA-N 2 1 289.467 3.691 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000563481969 328069717 /nfs/dbraw/zinc/06/97/17/328069717.db2.gz FGDFPJGHEJXAKR-NJAFHUGGSA-N 2 1 274.452 3.500 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000563481969 328069719 /nfs/dbraw/zinc/06/97/19/328069719.db2.gz FGDFPJGHEJXAKR-NJAFHUGGSA-N 2 1 274.452 3.500 20 0 CHADMP Cc1ccccc1[C@H]([NH2+]CCCc1c[nH+]cn1C)C(C)C ZINC000563630877 328078823 /nfs/dbraw/zinc/07/88/23/328078823.db2.gz WKJDOZUTEHNDRY-GOSISDBHSA-N 2 1 285.435 3.648 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1)c1c[nH+]ccc1N ZINC000571156485 328088838 /nfs/dbraw/zinc/08/88/38/328088838.db2.gz GCFNVPNBYZBVQG-JGGQBBKZSA-N 2 1 299.393 3.620 20 0 CHADMP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1Cl ZINC000194001558 329064558 /nfs/dbraw/zinc/06/45/58/329064558.db2.gz IHOHAGBELLCCMW-HIFRSBDPSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1Cl ZINC000194001558 329064561 /nfs/dbraw/zinc/06/45/61/329064561.db2.gz IHOHAGBELLCCMW-HIFRSBDPSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1Cl ZINC000194001558 329064562 /nfs/dbraw/zinc/06/45/62/329064562.db2.gz IHOHAGBELLCCMW-HIFRSBDPSA-N 2 1 280.843 3.563 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+]CCC2CCCCCC2)C1 ZINC000571329048 328107622 /nfs/dbraw/zinc/10/76/22/328107622.db2.gz YAWXTJMGWYACJG-QGZVFWFLSA-N 2 1 266.473 3.668 20 0 CHADMP C[C@@H]1[C@@H](N2CCCC2)CC[N@H+]1C[C@H]1CCCC(C)(C)C1 ZINC000571448015 328122617 /nfs/dbraw/zinc/12/26/17/328122617.db2.gz OBRRLZHIVVLUIS-IKGGRYGDSA-N 2 1 278.484 3.761 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCCF ZINC000284024889 328182753 /nfs/dbraw/zinc/18/27/53/328182753.db2.gz IARNOGFQQIJUIF-SJLPKXTDSA-N 2 1 292.442 3.626 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCCF ZINC000284024889 328182754 /nfs/dbraw/zinc/18/27/54/328182754.db2.gz IARNOGFQQIJUIF-SJLPKXTDSA-N 2 1 292.442 3.626 20 0 CHADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC000280853785 328236680 /nfs/dbraw/zinc/23/66/80/328236680.db2.gz BRCABFSKZYUCTJ-CSFVBSKPSA-N 2 1 292.854 3.658 20 0 CHADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC000280853785 328236681 /nfs/dbraw/zinc/23/66/81/328236681.db2.gz BRCABFSKZYUCTJ-CSFVBSKPSA-N 2 1 292.854 3.658 20 0 CHADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296064924 328288807 /nfs/dbraw/zinc/28/88/07/328288807.db2.gz WESDGZPMESYEEW-XNRPARBSSA-N 2 1 284.447 3.758 20 0 CHADMP CC(C)c1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000531932188 328320725 /nfs/dbraw/zinc/32/07/25/328320725.db2.gz HFCCGJXROKEBHL-GPMSIDNRSA-N 2 1 288.479 3.671 20 0 CHADMP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2C)CC1)C(C)C ZINC000531954970 328329774 /nfs/dbraw/zinc/32/97/74/328329774.db2.gz UQVCKFFFEBOHSB-IBGZPJMESA-N 2 1 288.479 3.984 20 0 CHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000049554046 328371541 /nfs/dbraw/zinc/37/15/41/328371541.db2.gz HAHFRUQHGNZPEA-OCCSQVGLSA-N 2 1 274.408 3.732 20 0 CHADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000558419116 327092448 /nfs/dbraw/zinc/09/24/48/327092448.db2.gz IAYGWNXIBULGGZ-BBWFWOEESA-N 2 1 266.473 3.665 20 0 CHADMP CSc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)s1 ZINC000569413459 327173108 /nfs/dbraw/zinc/17/31/08/327173108.db2.gz HDYKDKJYYZUYQV-UHFFFAOYSA-N 2 1 298.521 3.682 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)C/C(C)=C/c2ccccc2)CC1 ZINC000092165646 327188893 /nfs/dbraw/zinc/18/88/93/327188893.db2.gz HBVRBBSZLMVPIE-BMRADRMJSA-N 2 1 286.463 3.896 20 0 CHADMP CC(C)(C)CCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000410388801 327190651 /nfs/dbraw/zinc/19/06/51/327190651.db2.gz SGUXFKFLNHIRRF-INIZCTEOSA-N 2 1 266.473 3.621 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCCC(C)(C)C)C[C@H]1C ZINC000410397434 327191859 /nfs/dbraw/zinc/19/18/59/327191859.db2.gz ZZSKXPVOGJPHQM-CABCVRRESA-N 2 1 254.462 3.617 20 0 CHADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000554376547 327216741 /nfs/dbraw/zinc/21/67/41/327216741.db2.gz SJLCGQFPQDUKPI-DJIMGWMZSA-N 2 1 264.457 3.562 20 0 CHADMP CC1=CC[C@H]([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000556235672 327250414 /nfs/dbraw/zinc/25/04/14/327250414.db2.gz DIYJTFPVEISUCF-KSZLIROESA-N 2 1 278.484 3.833 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(C3CC3)CCC2)C[C@H]1c1ccccc1 ZINC000559787388 327261832 /nfs/dbraw/zinc/26/18/32/327261832.db2.gz ORPQPBSYNMLTEW-MOPGFXCFSA-N 2 1 298.474 3.992 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CC2(C3CC3)CCC2)C[C@H]1c1ccccc1 ZINC000559787388 327261834 /nfs/dbraw/zinc/26/18/34/327261834.db2.gz ORPQPBSYNMLTEW-MOPGFXCFSA-N 2 1 298.474 3.992 20 0 CHADMP CC(C)C(C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)C(C)C ZINC000560047600 327280447 /nfs/dbraw/zinc/28/04/47/327280447.db2.gz AROVMIWLGYQZSQ-MRXNPFEDSA-N 2 1 268.489 3.625 20 0 CHADMP Cc1ccccc1C[C@@H]([NH2+]CCC[N@H+](C)C(C)C)C1CC1 ZINC000560247324 327293549 /nfs/dbraw/zinc/29/35/49/327293549.db2.gz MHKRAWMJORUDCB-LJQANCHMSA-N 2 1 288.479 3.636 20 0 CHADMP C[C@]1(C[NH3+])CC[N@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000261608234 327295380 /nfs/dbraw/zinc/29/53/80/327295380.db2.gz RTIQEGIYWPUBAY-OAHLLOKOSA-N 2 1 294.851 3.725 20 0 CHADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000261608234 327295381 /nfs/dbraw/zinc/29/53/81/327295381.db2.gz RTIQEGIYWPUBAY-OAHLLOKOSA-N 2 1 294.851 3.725 20 0 CHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc(Cl)cs3)C2)CC1 ZINC000583348768 327313532 /nfs/dbraw/zinc/31/35/32/327313532.db2.gz DRGYNBVIRHELHS-CYBMUJFWSA-N 2 1 298.883 3.565 20 0 CHADMP Cc1cccc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000560524563 327318295 /nfs/dbraw/zinc/31/82/95/327318295.db2.gz GFRPTWOGHWFFDD-LULLPPNCSA-N 2 1 286.463 3.561 20 0 CHADMP C[NH+](C)CCC[N@@H+](C)CC(c1ccccc1)c1ccccc1 ZINC000560524242 327318465 /nfs/dbraw/zinc/31/84/65/327318465.db2.gz SXGAVAKAPKGJOQ-UHFFFAOYSA-N 2 1 296.458 3.702 20 0 CHADMP CC[N@H+](CC[NH2+][C@@H](C)CCc1ccc(F)cc1F)C(C)C ZINC000560526301 327319590 /nfs/dbraw/zinc/31/95/90/327319590.db2.gz BWJFAVQYLAZEOR-AWEZNQCLSA-N 2 1 298.421 3.606 20 0 CHADMP CC[N@@H+](CC[NH2+][C@@H](C)CCc1ccc(F)cc1F)C(C)C ZINC000560526301 327319591 /nfs/dbraw/zinc/31/95/91/327319591.db2.gz BWJFAVQYLAZEOR-AWEZNQCLSA-N 2 1 298.421 3.606 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261806045 327352200 /nfs/dbraw/zinc/35/22/00/327352200.db2.gz ZFRIEDAOONQCEN-MAAHGYRXSA-N 2 1 280.415 3.570 20 0 CHADMP CC[NH+](CC)[C@H](C[NH2+][C@H]1CC[C@H](C)C1)CC(C)C ZINC000462684049 331325045 /nfs/dbraw/zinc/32/50/45/331325045.db2.gz PZAHCSFYZNOIAH-JYJNAYRXSA-N 2 1 254.462 3.521 20 0 CHADMP CC1=CC[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000561278517 327382160 /nfs/dbraw/zinc/38/21/60/327382160.db2.gz HZSPPCVAULGLDT-UXHICEINSA-N 2 1 298.474 3.639 20 0 CHADMP C[C@H](C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C)c1cccc(Cl)c1 ZINC000574846858 327386052 /nfs/dbraw/zinc/38/60/52/327386052.db2.gz VALDJTLWCIGESG-KEYYUXOJSA-N 2 1 294.870 3.716 20 0 CHADMP C[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C)c1cccc(Cl)c1 ZINC000574846858 327386053 /nfs/dbraw/zinc/38/60/53/327386053.db2.gz VALDJTLWCIGESG-KEYYUXOJSA-N 2 1 294.870 3.716 20 0 CHADMP C[C@H](C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C)c1cccc(Cl)c1 ZINC000574846858 327386054 /nfs/dbraw/zinc/38/60/54/327386054.db2.gz VALDJTLWCIGESG-KEYYUXOJSA-N 2 1 294.870 3.716 20 0 CHADMP C[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C)c1cccc(Cl)c1 ZINC000574846858 327386055 /nfs/dbraw/zinc/38/60/55/327386055.db2.gz VALDJTLWCIGESG-KEYYUXOJSA-N 2 1 294.870 3.716 20 0 CHADMP Cc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2[nH+]1 ZINC000561366949 327389595 /nfs/dbraw/zinc/38/95/95/327389595.db2.gz KYJIPLHIKFFRFP-XYPWUTKMSA-N 2 1 295.430 3.605 20 0 CHADMP CC1(C)CC([NH2+]Cc2ccc(Cl)c(F)c2)CC(C)(C)[NH2+]1 ZINC000043388539 328789183 /nfs/dbraw/zinc/78/91/83/328789183.db2.gz GPLUWFXIPLEIRD-UHFFFAOYSA-N 2 1 298.833 3.878 20 0 CHADMP Cc1ccc([C@@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)C2CCC2)o1 ZINC000580379389 328798533 /nfs/dbraw/zinc/79/85/33/328798533.db2.gz YKPZUUVUJRLNRK-KSSFIOAISA-N 2 1 290.451 3.751 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CCc1ccsc1 ZINC000360966592 328913138 /nfs/dbraw/zinc/91/31/38/328913138.db2.gz QAHXWROGFIWCQU-ZIAGYGMSSA-N 2 1 291.464 3.500 20 0 CHADMP C/C(=C\c1ccccc1)C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000377840541 329031473 /nfs/dbraw/zinc/03/14/73/329031473.db2.gz SRZNORCJZLTQSJ-IGMRJXIPSA-N 2 1 284.447 3.506 20 0 CHADMP C/C(=C\c1ccccc1)C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000377840541 329031475 /nfs/dbraw/zinc/03/14/75/329031475.db2.gz SRZNORCJZLTQSJ-IGMRJXIPSA-N 2 1 284.447 3.506 20 0 CHADMP C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000377840541 329031476 /nfs/dbraw/zinc/03/14/76/329031476.db2.gz SRZNORCJZLTQSJ-IGMRJXIPSA-N 2 1 284.447 3.506 20 0 CHADMP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000194001558 329064557 /nfs/dbraw/zinc/06/45/57/329064557.db2.gz IHOHAGBELLCCMW-HIFRSBDPSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)s1 ZINC000173872176 329153012 /nfs/dbraw/zinc/15/30/12/329153012.db2.gz BASLJYSBXAJQCA-INIZCTEOSA-N 2 1 292.492 3.673 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2)C(C)C)[C@@H](C)C1 ZINC000469217905 329198401 /nfs/dbraw/zinc/19/84/01/329198401.db2.gz SOZZWNOAPPSWTG-UHOSZYNNSA-N 2 1 288.479 3.746 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000178696842 329202425 /nfs/dbraw/zinc/20/24/25/329202425.db2.gz KROVYJOWWCJHBM-CABCVRRESA-N 2 1 285.435 3.741 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000178695302 329202443 /nfs/dbraw/zinc/20/24/43/329202443.db2.gz DPCDNOFFLOGLNI-HOTGVXAUSA-N 2 1 285.435 3.795 20 0 CHADMP C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000178975704 329203565 /nfs/dbraw/zinc/20/35/65/329203565.db2.gz ZDLQBCKNWJTAIB-ZIAGYGMSSA-N 2 1 294.870 3.763 20 0 CHADMP Cc1occc1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000321022000 329214266 /nfs/dbraw/zinc/21/42/66/329214266.db2.gz WBRSTOIGWZKOOK-HNAYVOBHSA-N 2 1 298.430 3.588 20 0 CHADMP Cc1occc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000321022000 329214267 /nfs/dbraw/zinc/21/42/67/329214267.db2.gz WBRSTOIGWZKOOK-HNAYVOBHSA-N 2 1 298.430 3.588 20 0 CHADMP CCc1nc(C)c([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)s1 ZINC000180401922 329215727 /nfs/dbraw/zinc/21/57/27/329215727.db2.gz ITEDJSAAILZUIF-LBPRGKRZSA-N 2 1 295.496 3.537 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000180627306 329221269 /nfs/dbraw/zinc/22/12/69/329221269.db2.gz OEWYVWHURIYOGU-HNAYVOBHSA-N 2 1 297.446 3.803 20 0 CHADMP CCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CCC1 ZINC000582955455 329293731 /nfs/dbraw/zinc/29/37/31/329293731.db2.gz ZQNKRFHBCXACQB-MSOLQXFVSA-N 2 1 286.463 3.992 20 0 CHADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CCC1 ZINC000582955455 329293732 /nfs/dbraw/zinc/29/37/32/329293732.db2.gz ZQNKRFHBCXACQB-MSOLQXFVSA-N 2 1 286.463 3.992 20 0 CHADMP CCC[C@@H]1CCC[N@@H+](CCCc2cnccc2C)C1 ZINC000582991592 329294457 /nfs/dbraw/zinc/29/44/57/329294457.db2.gz WVTCQEWUKLHSSL-MRXNPFEDSA-N 2 1 260.425 3.835 20 0 CHADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1cc2ccccc2s1 ZINC000583032797 329305150 /nfs/dbraw/zinc/30/51/50/329305150.db2.gz UNTOHECMNKAEMM-ZDUSSCGKSA-N 2 1 299.443 3.918 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000584378550 329307068 /nfs/dbraw/zinc/30/70/68/329307068.db2.gz NYFLATXQIJMOKJ-YTQUADARSA-N 2 1 290.495 3.643 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCC[C@H]1C ZINC000459730577 329374010 /nfs/dbraw/zinc/37/40/10/329374010.db2.gz DVRXDEPTRUSJJV-VQHPVUNQSA-N 2 1 266.473 3.523 20 0 CHADMP C[NH+]1CCC([NH2+]C2CCC3(CCCCC3)CC2)CC1 ZINC000188778807 329963139 /nfs/dbraw/zinc/96/31/39/329963139.db2.gz WGJVXUSFEQTXNV-UHFFFAOYSA-N 2 1 264.457 3.563 20 0 CHADMP Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)CC2CC[NH2+]CC2)cc1 ZINC000262114324 330000070 /nfs/dbraw/zinc/00/00/70/330000070.db2.gz BIQXUESNZIBREX-OALUTQOASA-N 2 1 286.463 3.563 20 0 CHADMP CC(C)[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379637990 330144339 /nfs/dbraw/zinc/14/43/39/330144339.db2.gz ZFSNABOBKSLTQK-AOIWGVFYSA-N 2 1 288.479 3.921 20 0 CHADMP CC(C)[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379637990 330144340 /nfs/dbraw/zinc/14/43/40/330144340.db2.gz ZFSNABOBKSLTQK-AOIWGVFYSA-N 2 1 288.479 3.921 20 0 CHADMP CC(C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379643618 330144913 /nfs/dbraw/zinc/14/49/13/330144913.db2.gz BKVTWCWGPSPPNY-WMZOPIPTSA-N 2 1 274.452 3.675 20 0 CHADMP CC(C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379643618 330144914 /nfs/dbraw/zinc/14/49/14/330144914.db2.gz BKVTWCWGPSPPNY-WMZOPIPTSA-N 2 1 274.452 3.675 20 0 CHADMP C[C@H](CC[NH2+][C@H]1C[C@@H](C)[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000379657873 330146905 /nfs/dbraw/zinc/14/69/05/330146905.db2.gz UUMZPPSSUGGGBR-CBZIJGRNSA-N 2 1 274.452 3.531 20 0 CHADMP CCC(CC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379656120 330146915 /nfs/dbraw/zinc/14/69/15/330146915.db2.gz OBOQRDAHCXGMQR-YJBOKZPZSA-N 2 1 274.452 3.818 20 0 CHADMP CCC(CC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379656120 330146917 /nfs/dbraw/zinc/14/69/17/330146917.db2.gz OBOQRDAHCXGMQR-YJBOKZPZSA-N 2 1 274.452 3.818 20 0 CHADMP Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c(C)c1 ZINC000422693271 330150775 /nfs/dbraw/zinc/15/07/75/330150775.db2.gz LSOXXLHJJXIJEO-QZTJIDSGSA-N 2 1 266.388 3.538 20 0 CHADMP c1ccc(CCC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000422730310 330152606 /nfs/dbraw/zinc/15/26/06/330152606.db2.gz JNYUFYQISXPUQP-WOJBJXKFSA-N 2 1 294.442 3.702 20 0 CHADMP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cc(F)c(Cl)cc1Cl ZINC000423241509 330181739 /nfs/dbraw/zinc/18/17/39/330181739.db2.gz YBIVARCJPHKSCG-JGVFFNPUSA-N 2 1 279.186 3.520 20 0 CHADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000422785862 330154804 /nfs/dbraw/zinc/15/48/04/330154804.db2.gz RWJDWPSLCCRZOV-AEJSXWLSSA-N 2 1 275.223 3.770 20 0 CHADMP [NH3+][C@@H]1C[C@H]([NH2+]C2(c3ccccc3)CCC2)c2ccccc21 ZINC000422924853 330160781 /nfs/dbraw/zinc/16/07/81/330160781.db2.gz AGIRFSRKQULLBU-MSOLQXFVSA-N 2 1 278.399 3.800 20 0 CHADMP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1cc2ccccc2s1 ZINC000423053237 330167392 /nfs/dbraw/zinc/16/73/92/330167392.db2.gz ABQBREFRPJTIKG-YRGRVCCFSA-N 2 1 274.433 3.692 20 0 CHADMP CCC1(C[NH2+][C@H](C)c2c[nH+]ccc2N)CCCCC1 ZINC000423055500 330167478 /nfs/dbraw/zinc/16/74/78/330167478.db2.gz WNLILQBAOVMXSJ-CYBMUJFWSA-N 2 1 261.413 3.505 20 0 CHADMP CSCc1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000423059652 330167797 /nfs/dbraw/zinc/16/77/97/330167797.db2.gz MJFXJOQKMSMRMN-QZTJIDSGSA-N 2 1 298.455 3.784 20 0 CHADMP CC(C)[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)Cc1ccccc1 ZINC000423065487 330168309 /nfs/dbraw/zinc/16/83/09/330168309.db2.gz BIZGUCAMPVZIIG-WBVHZDCISA-N 2 1 297.446 3.660 20 0 CHADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423100596 330170281 /nfs/dbraw/zinc/17/02/81/330170281.db2.gz NADFVVDISUOATF-VDHUWJSZSA-N 2 1 272.436 3.506 20 0 CHADMP CC[C@H]([NH2+][C@H]1C[C@H](c2ccccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000423148165 330172827 /nfs/dbraw/zinc/17/28/27/330172827.db2.gz UQFFYEVDRNAZBA-PYTWLRIVSA-N 2 1 292.854 3.706 20 0 CHADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c(F)cccc32)c2ccccc21 ZINC000423149504 330172886 /nfs/dbraw/zinc/17/28/86/330172886.db2.gz XNLIOCMRKGSLSV-QRVBRYPASA-N 2 1 296.389 3.938 20 0 CHADMP [NH3+]C1(C[NH2+][C@@H]2CCSc3c(F)cccc32)CCCCC1 ZINC000423175073 330174683 /nfs/dbraw/zinc/17/46/83/330174683.db2.gz CUECRPQIDDBXPF-CQSZACIVSA-N 2 1 294.439 3.614 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c(C)c1 ZINC000423184049 330175784 /nfs/dbraw/zinc/17/57/84/330175784.db2.gz HNTWDFYXQLVEGE-KRWDZBQOSA-N 2 1 297.446 3.529 20 0 CHADMP C[NH2+]CCC[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000423198077 330176496 /nfs/dbraw/zinc/17/64/96/330176496.db2.gz CVYQZZYUFPNMOE-KRWDZBQOSA-N 2 1 288.822 3.629 20 0 CHADMP [NH3+]C1(C[NH2+][C@@H](c2cccnc2)C2CCC2)CCCCCC1 ZINC000423198439 330176557 /nfs/dbraw/zinc/17/65/57/330176557.db2.gz FWAZWCLYOLPOPX-QGZVFWFLSA-N 2 1 287.451 3.564 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(-c2ccccc2)o1 ZINC000423203351 330177074 /nfs/dbraw/zinc/17/70/74/330177074.db2.gz CHRMWKMWBSNRKF-CABCVRRESA-N 2 1 284.403 3.597 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000423259228 330183489 /nfs/dbraw/zinc/18/34/89/330183489.db2.gz DIQGCCLGVXWFOH-DJIMGWMZSA-N 2 1 294.870 3.939 20 0 CHADMP CCC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)c1ccsc1 ZINC000423262694 330183790 /nfs/dbraw/zinc/18/37/90/330183790.db2.gz NDZQRLVWPRSLTM-KBPBESRZSA-N 2 1 254.443 3.552 20 0 CHADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(-c2ccccc2)s1 ZINC000423266718 330183925 /nfs/dbraw/zinc/18/39/25/330183925.db2.gz CBYDSYHHNLVKTA-SWLSCSKDSA-N 2 1 286.444 3.803 20 0 CHADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1nccc2ccccc21 ZINC000423264731 330184007 /nfs/dbraw/zinc/18/40/07/330184007.db2.gz QHDWDHQMYKVONU-KBXCAEBGSA-N 2 1 297.446 3.793 20 0 CHADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc2cc(OC)ccc2c1 ZINC000423275884 330185057 /nfs/dbraw/zinc/18/50/57/330185057.db2.gz MGEBIRIFYCMULV-RBUKOAKNSA-N 2 1 298.430 3.626 20 0 CHADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc2cc(OC)ccc2c1 ZINC000423275885 330185076 /nfs/dbraw/zinc/18/50/76/330185076.db2.gz MGEBIRIFYCMULV-RTBURBONSA-N 2 1 298.430 3.626 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccccc1SC ZINC000423292631 330187719 /nfs/dbraw/zinc/18/77/19/330187719.db2.gz NPCKVQWCBQDDFM-GFCCVEGCSA-N 2 1 266.454 3.577 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000423294285 330187892 /nfs/dbraw/zinc/18/78/92/330187892.db2.gz BSTLFIKCNUOIIQ-FZMZJTMJSA-N 2 1 254.805 3.508 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000423294286 330188085 /nfs/dbraw/zinc/18/80/85/330188085.db2.gz BSTLFIKCNUOIIQ-RISCZKNCSA-N 2 1 254.805 3.508 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000423295036 330188362 /nfs/dbraw/zinc/18/83/62/330188362.db2.gz DHIJFVYGGDZHQC-IXDOHACOSA-N 2 1 278.415 3.569 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1SC ZINC000423297803 330188600 /nfs/dbraw/zinc/18/86/00/330188600.db2.gz LYEFFCPFHJTFBY-QWHCGFSZSA-N 2 1 266.454 3.577 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000423297194 330188714 /nfs/dbraw/zinc/18/87/14/330188714.db2.gz JDIVQGWTCQUMDN-BEFAXECRSA-N 2 1 297.446 3.917 20 0 CHADMP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000423298407 330188894 /nfs/dbraw/zinc/18/88/94/330188894.db2.gz OIPBMXOWJTZOMK-HTQZYQBOSA-N 2 1 295.641 3.892 20 0 CHADMP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(Cl)c(Cl)c1Cl ZINC000423298408 330189149 /nfs/dbraw/zinc/18/91/49/330189149.db2.gz OIPBMXOWJTZOMK-JGVFFNPUSA-N 2 1 295.641 3.892 20 0 CHADMP [NH3+]C1(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)CCC1 ZINC000423317107 330190179 /nfs/dbraw/zinc/19/01/79/330190179.db2.gz CEFNUGZOUWAULA-MRXNPFEDSA-N 2 1 276.399 3.528 20 0 CHADMP [NH3+][C@H](C[NH2+][C@@H]1CCCSc2ccc(Cl)cc21)C1CC1 ZINC000423320084 330190244 /nfs/dbraw/zinc/19/02/44/330190244.db2.gz MAVYNHQRQHHQMZ-ZIAGYGMSSA-N 2 1 296.867 3.594 20 0 CHADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000423361348 330193530 /nfs/dbraw/zinc/19/35/30/330193530.db2.gz AFBBUOXAMJMFSB-RCBQFDQVSA-N 2 1 280.843 3.693 20 0 CHADMP Fc1ccc([C@H]([NH2+]CC[C@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000423369768 330194989 /nfs/dbraw/zinc/19/49/89/330194989.db2.gz TXNLJPDAKKMCNL-RTBURBONSA-N 2 1 298.405 3.647 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CC[NH2+]1 ZINC000423368703 330195078 /nfs/dbraw/zinc/19/50/78/330195078.db2.gz FHNWIAQBZXBMCU-GAJTVXKRSA-N 2 1 299.245 3.711 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1cc(Cl)ccc1OC ZINC000423398735 330196077 /nfs/dbraw/zinc/19/60/77/330196077.db2.gz VJKJQFIWEDLSMV-LNSITVRQSA-N 2 1 296.842 3.530 20 0 CHADMP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(Cl)cc1F ZINC000423405863 330196803 /nfs/dbraw/zinc/19/68/03/330196803.db2.gz UEKAVFUUAXMZSZ-XZJROXQQSA-N 2 1 298.833 3.764 20 0 CHADMP Cc1cc2cc([C@H](C)[NH2+][C@H]3CC[NH2+]C[C@H]3C)oc2cc1C ZINC000423406489 330196822 /nfs/dbraw/zinc/19/68/22/330196822.db2.gz UTCIEGJUOOBFMZ-YCPHGPKFSA-N 2 1 286.419 3.698 20 0 CHADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-c2c(F)cccc2F)cc1 ZINC000423408766 330197134 /nfs/dbraw/zinc/19/71/34/330197134.db2.gz XYCBSUIDRBGFBL-RYUDHWBXSA-N 2 1 290.357 3.630 20 0 CHADMP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423387650 330199914 /nfs/dbraw/zinc/19/99/14/330199914.db2.gz HWMOBRPCMGCKKI-WWGRRREGSA-N 2 1 286.419 3.644 20 0 CHADMP CCC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423451875 330202910 /nfs/dbraw/zinc/20/29/10/330202910.db2.gz VQBVNQTYWMPJNL-MJVIPROJSA-N 2 1 288.357 3.872 20 0 CHADMP CC[C@H]([NH3+])C[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000423455627 330203619 /nfs/dbraw/zinc/20/36/19/330203619.db2.gz CUDCFYSZYOROPA-GJZGRUSLSA-N 2 1 266.816 3.508 20 0 CHADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(SC(C)C)cc1 ZINC000423465030 330204328 /nfs/dbraw/zinc/20/43/28/330204328.db2.gz MJHYRGOGLFEYLO-OCCSQVGLSA-N 2 1 266.454 3.575 20 0 CHADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-c2cccs2)cc1 ZINC000423484757 330206614 /nfs/dbraw/zinc/20/66/14/330206614.db2.gz YWVLGMQJCRQDQS-SWLSCSKDSA-N 2 1 274.433 3.803 20 0 CHADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423519106 330209691 /nfs/dbraw/zinc/20/96/91/330209691.db2.gz ZXJIBKXODXWJJL-RISCZKNCSA-N 2 1 295.496 3.743 20 0 CHADMP Cc1cc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)c(C)s1 ZINC000423532387 330210194 /nfs/dbraw/zinc/21/01/94/330210194.db2.gz QZWCLXSCXXBHGA-NHYWBVRUSA-N 2 1 266.454 3.533 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC000536830127 330228652 /nfs/dbraw/zinc/22/86/52/330228652.db2.gz AWSQFOITCZIDLG-JKSUJKDBSA-N 2 1 292.442 3.844 20 0 CHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccccc2F)C1 ZINC000536840175 330235472 /nfs/dbraw/zinc/23/54/72/330235472.db2.gz RMHFJZYMGFTWNO-JKSUJKDBSA-N 2 1 292.442 3.844 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccccc2F)C1 ZINC000536840175 330235473 /nfs/dbraw/zinc/23/54/73/330235473.db2.gz RMHFJZYMGFTWNO-JKSUJKDBSA-N 2 1 292.442 3.844 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000527227748 330239074 /nfs/dbraw/zinc/23/90/74/330239074.db2.gz XLBDBOPNYCBHNO-OAHLLOKOSA-N 2 1 296.405 3.834 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(C(F)F)cc1 ZINC000527238326 330240708 /nfs/dbraw/zinc/24/07/08/330240708.db2.gz UKOAPLLGATZSNL-UHFFFAOYSA-N 2 1 293.361 3.699 20 0 CHADMP C[NH+]1CCC([NH2+][C@H]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000527631653 330266877 /nfs/dbraw/zinc/26/68/77/330266877.db2.gz MXEVSGGDBCWCBB-ROUUACIJSA-N 2 1 286.463 3.787 20 0 CHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@H](c2ccccc2)CC1 ZINC000527726306 330277648 /nfs/dbraw/zinc/27/76/48/330277648.db2.gz HCKJJTCNVHRNLH-ZWKOTPCHSA-N 2 1 297.446 3.669 20 0 CHADMP C1=CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000527742712 330279913 /nfs/dbraw/zinc/27/99/13/330279913.db2.gz CXXJSBZIXZGMBD-LJQANCHMSA-N 2 1 296.458 3.739 20 0 CHADMP C1=CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000527742712 330279914 /nfs/dbraw/zinc/27/99/14/330279914.db2.gz CXXJSBZIXZGMBD-LJQANCHMSA-N 2 1 296.458 3.739 20 0 CHADMP c1cc2cccc(CNC[C@H]3CC[N@@H+]3C3CCCCC3)c2[nH]1 ZINC000527753421 330281249 /nfs/dbraw/zinc/28/12/49/330281249.db2.gz UWAIOWIRWCEORD-GOSISDBHSA-N 2 1 297.446 3.665 20 0 CHADMP c1cc2cccc(CNC[C@H]3CC[N@H+]3C3CCCCC3)c2[nH]1 ZINC000527753421 330281250 /nfs/dbraw/zinc/28/12/50/330281250.db2.gz UWAIOWIRWCEORD-GOSISDBHSA-N 2 1 297.446 3.665 20 0 CHADMP Cc1cccc([C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C(C)C)c1 ZINC000527861673 330285077 /nfs/dbraw/zinc/28/50/77/330285077.db2.gz MTCMYRQQJOYDFG-FUHWJXTLSA-N 2 1 274.452 3.624 20 0 CHADMP CC[C@H](C)c1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000527848536 330288034 /nfs/dbraw/zinc/28/80/34/330288034.db2.gz RQSLICYJLITQKS-GJZGRUSLSA-N 2 1 274.452 3.945 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)CCc2ccccc2)C1 ZINC000527855327 330288901 /nfs/dbraw/zinc/28/89/01/330288901.db2.gz WAYUZHBNFUUNNI-RTBURBONSA-N 2 1 288.479 3.719 20 0 CHADMP CCC(CC)[C@H](C[NH2+][C@H]1CCC[C@H](C)C1)[NH+](C)C ZINC000036849202 330300505 /nfs/dbraw/zinc/30/05/05/330300505.db2.gz SJFGSBQIICVXFM-BPUTZDHNSA-N 2 1 254.462 3.521 20 0 CHADMP CCCCC1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000536876092 330311515 /nfs/dbraw/zinc/31/15/15/330311515.db2.gz JUDQSKWWJFLVMI-RDHHWEPZSA-N 2 1 266.473 3.808 20 0 CHADMP CCCCC1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000536876092 330311516 /nfs/dbraw/zinc/31/15/16/330311516.db2.gz JUDQSKWWJFLVMI-RDHHWEPZSA-N 2 1 266.473 3.808 20 0 CHADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000044533112 330329658 /nfs/dbraw/zinc/32/96/58/330329658.db2.gz AWDUOWBXJYXDTQ-CABCVRRESA-N 2 1 286.419 3.734 20 0 CHADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044533112 330329659 /nfs/dbraw/zinc/32/96/59/330329659.db2.gz AWDUOWBXJYXDTQ-CABCVRRESA-N 2 1 286.419 3.734 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000044534529 330329946 /nfs/dbraw/zinc/32/99/46/330329946.db2.gz GLGNASSGKSZMHC-CZUORRHYSA-N 2 1 280.843 3.723 20 0 CHADMP C1CC([C@@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C2CCCCC2)C1 ZINC000424273275 330333324 /nfs/dbraw/zinc/33/33/24/330333324.db2.gz WGACJLHUNYJCMQ-QYZOEREBSA-N 2 1 290.495 3.952 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000533105875 330337392 /nfs/dbraw/zinc/33/73/92/330337392.db2.gz CBGCOBVUIVGSKU-QGZVFWFLSA-N 2 1 286.463 3.973 20 0 CHADMP CCCC1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000106868924 330341447 /nfs/dbraw/zinc/34/14/47/330341447.db2.gz WPAMHESSDJMMPT-SJJHQCBESA-N 2 1 264.457 3.562 20 0 CHADMP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000445438176 330347821 /nfs/dbraw/zinc/34/78/21/330347821.db2.gz FCSCDFJSSWCHEI-UIAACRFSSA-N 2 1 298.474 3.652 20 0 CHADMP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000445438176 330347822 /nfs/dbraw/zinc/34/78/22/330347822.db2.gz FCSCDFJSSWCHEI-UIAACRFSSA-N 2 1 298.474 3.652 20 0 CHADMP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000445438176 330347823 /nfs/dbraw/zinc/34/78/23/330347823.db2.gz FCSCDFJSSWCHEI-UIAACRFSSA-N 2 1 298.474 3.652 20 0 CHADMP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])CCS2 ZINC000424374453 330348411 /nfs/dbraw/zinc/34/84/11/330348411.db2.gz LCVMBILKHQUKOV-BZUAXINKSA-N 2 1 290.476 3.700 20 0 CHADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000045692256 330348659 /nfs/dbraw/zinc/34/86/59/330348659.db2.gz PAXKJAKTPQYOQG-BZOOQXSSSA-N 2 1 294.870 3.906 20 0 CHADMP CC(C)CC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119661193 330378357 /nfs/dbraw/zinc/37/83/57/330378357.db2.gz LNQODGBCOQPARQ-QAPCUYQASA-N 2 1 278.484 3.808 20 0 CHADMP CC(C)c1ccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000121878993 330407204 /nfs/dbraw/zinc/40/72/04/330407204.db2.gz QTWQDZJWXASPRK-UHFFFAOYSA-N 2 1 286.463 3.569 20 0 CHADMP CCC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000084056764 330483689 /nfs/dbraw/zinc/48/36/89/330483689.db2.gz UYLXCXMLLXDUIB-UHFFFAOYSA-N 2 1 286.463 3.821 20 0 CHADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CC(C)(C)CCc2ccccc21 ZINC000436286003 330673432 /nfs/dbraw/zinc/67/34/32/330673432.db2.gz QDJDIGPWTILANQ-SFHVURJKSA-N 2 1 297.446 3.656 20 0 CHADMP Cc1cc([C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)c(C)o1 ZINC000447592116 330872345 /nfs/dbraw/zinc/87/23/45/330872345.db2.gz GVRQDKMNGZGYCD-AWEZNQCLSA-N 2 1 278.440 3.669 20 0 CHADMP CCC[C@@H]([NH2+]CCCn1cc[nH+]c1C)C1CCCC1 ZINC000449093391 330898467 /nfs/dbraw/zinc/89/84/67/330898467.db2.gz WFHPRLCGXOJPIM-MRXNPFEDSA-N 2 1 263.429 3.530 20 0 CHADMP C[C@@H](CF)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449331727 330915305 /nfs/dbraw/zinc/91/53/05/330915305.db2.gz PHNCXMRIPCYOMC-ZDUSSCGKSA-N 2 1 272.452 3.613 20 0 CHADMP C[C@H](CF)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449331726 330915309 /nfs/dbraw/zinc/91/53/09/330915309.db2.gz PHNCXMRIPCYOMC-CYBMUJFWSA-N 2 1 272.452 3.613 20 0 CHADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H](C)CCC(F)(F)F ZINC000449383968 330921277 /nfs/dbraw/zinc/92/12/77/330921277.db2.gz LEQCGRLLMRHDDQ-KGLIPLIRSA-N 2 1 294.405 3.818 20 0 CHADMP C[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000449691979 330943948 /nfs/dbraw/zinc/94/39/48/330943948.db2.gz ZHXAHCBAQXROEA-PKOBYXMFSA-N 2 1 286.463 3.644 20 0 CHADMP Cc1cccc(Cl)c1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000450853079 331002949 /nfs/dbraw/zinc/00/29/49/331002949.db2.gz HIHLWGDLQINIOK-AWEZNQCLSA-N 2 1 280.843 3.565 20 0 CHADMP Cc1cccc(Cl)c1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000450853079 331002950 /nfs/dbraw/zinc/00/29/50/331002950.db2.gz HIHLWGDLQINIOK-AWEZNQCLSA-N 2 1 280.843 3.565 20 0 CHADMP Cc1cccc(Cl)c1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000450853080 331002985 /nfs/dbraw/zinc/00/29/85/331002985.db2.gz HIHLWGDLQINIOK-CQSZACIVSA-N 2 1 280.843 3.565 20 0 CHADMP Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000450853080 331002986 /nfs/dbraw/zinc/00/29/86/331002986.db2.gz HIHLWGDLQINIOK-CQSZACIVSA-N 2 1 280.843 3.565 20 0 CHADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccncc1 ZINC000453065338 331085827 /nfs/dbraw/zinc/08/58/27/331085827.db2.gz USIVIINZBDCHQS-SJLPKXTDSA-N 2 1 289.467 3.777 20 0 CHADMP CCC[C@H]([NH2+]CCCCn1cc[nH+]c1C)C1CCC1 ZINC000453111665 331090183 /nfs/dbraw/zinc/09/01/83/331090183.db2.gz CKBWOSJRNDLGJX-INIZCTEOSA-N 2 1 263.429 3.530 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453128769 331092211 /nfs/dbraw/zinc/09/22/11/331092211.db2.gz QXQXSKAQAIBKMA-QGZVFWFLSA-N 2 1 275.440 3.530 20 0 CHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000453358198 331121973 /nfs/dbraw/zinc/12/19/73/331121973.db2.gz IXXQZWYOHAKMNS-KNTRFNDTSA-N 2 1 298.474 3.533 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000453358198 331121974 /nfs/dbraw/zinc/12/19/74/331121974.db2.gz IXXQZWYOHAKMNS-KNTRFNDTSA-N 2 1 298.474 3.533 20 0 CHADMP CC(C)=CCC[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453389395 331126945 /nfs/dbraw/zinc/12/69/45/331126945.db2.gz CGPNCZUMBUSTSF-OAHLLOKOSA-N 2 1 252.446 3.585 20 0 CHADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000453398308 331128378 /nfs/dbraw/zinc/12/83/78/331128378.db2.gz KMTDNJNAALAIAP-SNRMKQJTSA-N 2 1 286.463 3.643 20 0 CHADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453404733 331129189 /nfs/dbraw/zinc/12/91/89/331129189.db2.gz PPDFDSBZWONCON-IRXDYDNUSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1cc(Cl)cc(C[NH2+]CCCC[N@H+](C)C2CC2)c1 ZINC000453598634 331135727 /nfs/dbraw/zinc/13/57/27/331135727.db2.gz PWGJNXUCYZWGEB-UHFFFAOYSA-N 2 1 280.843 3.612 20 0 CHADMP C[N@@H+](CCCC[NH2+]Cc1cccc2ccccc21)C1CC1 ZINC000453601076 331135888 /nfs/dbraw/zinc/13/58/88/331135888.db2.gz UFJMTJWQVZVDCX-UHFFFAOYSA-N 2 1 282.431 3.804 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)C[C@@H]1n1ccnc1 ZINC000459349565 331277597 /nfs/dbraw/zinc/27/75/97/331277597.db2.gz IDSLJSIMCVENAS-KXBFYZLASA-N 2 1 295.430 3.844 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2cccc(Cl)c2)C[C@H]1C ZINC000459385500 331279403 /nfs/dbraw/zinc/27/94/03/331279403.db2.gz YPNDSKUYMQCEET-PBHICJAKSA-N 2 1 294.870 3.687 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2cccc(Cl)c2)C[C@H]1C ZINC000459385500 331279404 /nfs/dbraw/zinc/27/94/04/331279404.db2.gz YPNDSKUYMQCEET-PBHICJAKSA-N 2 1 294.870 3.687 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2cccc(Cl)c2)C[C@H]1C ZINC000459385500 331279405 /nfs/dbraw/zinc/27/94/05/331279405.db2.gz YPNDSKUYMQCEET-PBHICJAKSA-N 2 1 294.870 3.687 20 0 CHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc3ccccc32)C1 ZINC000459722527 331295792 /nfs/dbraw/zinc/29/57/92/331295792.db2.gz BPRYOZUOAXDYAB-INIZCTEOSA-N 2 1 282.431 3.661 20 0 CHADMP CC(C)CCC[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459729690 331296433 /nfs/dbraw/zinc/29/64/33/331296433.db2.gz DIPPLCJSGMEIDL-JKSUJKDBSA-N 2 1 254.462 3.523 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000459735763 331296857 /nfs/dbraw/zinc/29/68/57/331296857.db2.gz POKLLAHPMDTXER-UONOGXRCSA-N 2 1 280.843 3.723 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@H](C)C2 ZINC000459735052 331296861 /nfs/dbraw/zinc/29/68/61/331296861.db2.gz HJNYZVTYCQXXNT-GPMSIDNRSA-N 2 1 286.463 3.550 20 0 CHADMP C[C@H](CCC(C)(C)C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459794429 331301349 /nfs/dbraw/zinc/30/13/49/331301349.db2.gz UTTHLPNOVJAULN-CABCVRRESA-N 2 1 254.462 3.523 20 0 CHADMP Cc1ccc([C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C2CC2)cc1 ZINC000459793961 331301467 /nfs/dbraw/zinc/30/14/67/331301467.db2.gz UFZLTPDMIGUABY-VQIMIIECSA-N 2 1 286.463 3.768 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)[C@H](C)C1 ZINC000462118272 331317630 /nfs/dbraw/zinc/31/76/30/331317630.db2.gz DKZZEUADNVTNLG-ILOCAZANSA-N 2 1 278.484 3.665 20 0 CHADMP CC[NH+](CC)[C@H](C[NH2+][C@H]1CC[C@@H](C)C1)CC(C)C ZINC000462684051 331325072 /nfs/dbraw/zinc/32/50/72/331325072.db2.gz PZAHCSFYZNOIAH-PMPSAXMXSA-N 2 1 254.462 3.521 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCC(C(C)C)CC1 ZINC000462689243 331325231 /nfs/dbraw/zinc/32/52/31/331325231.db2.gz UUAAEKNNPMDZMT-QQFBHYJXSA-N 2 1 254.462 3.521 20 0 CHADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCCCC2)C1 ZINC000462747940 331327166 /nfs/dbraw/zinc/32/71/66/331327166.db2.gz YOZVJDFMQKPGCI-HNNXBMFYSA-N 2 1 266.473 3.809 20 0 CHADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCCCC2)C1 ZINC000462747940 331327167 /nfs/dbraw/zinc/32/71/67/331327167.db2.gz YOZVJDFMQKPGCI-HNNXBMFYSA-N 2 1 266.473 3.809 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C3CCCC3)cc2)C1 ZINC000462799865 331329626 /nfs/dbraw/zinc/32/96/26/331329626.db2.gz YTPUTBLTDVNIIE-QGZVFWFLSA-N 2 1 286.463 3.776 20 0 CHADMP Cc1cc(N(C)CC[C@H]2CCCC[N@H+]2C)c2ccccc2[nH+]1 ZINC000463077360 331339594 /nfs/dbraw/zinc/33/95/94/331339594.db2.gz KMRXQGDXWBYEHT-MRXNPFEDSA-N 2 1 297.446 3.854 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CC[N@@H+]1C ZINC000464060325 331355710 /nfs/dbraw/zinc/35/57/10/331355710.db2.gz UTKHCMJKJJRZRN-NRSFXHEJSA-N 2 1 286.463 3.641 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CC[N@H+]1C ZINC000464060325 331355711 /nfs/dbraw/zinc/35/57/11/331355711.db2.gz UTKHCMJKJJRZRN-NRSFXHEJSA-N 2 1 286.463 3.641 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CC[N@@H+]1C ZINC000464060326 331355784 /nfs/dbraw/zinc/35/57/84/331355784.db2.gz UTKHCMJKJJRZRN-VDHUWJSZSA-N 2 1 286.463 3.641 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CC[N@H+]1C ZINC000464060326 331355785 /nfs/dbraw/zinc/35/57/85/331355785.db2.gz UTKHCMJKJJRZRN-VDHUWJSZSA-N 2 1 286.463 3.641 20 0 CHADMP CC[NH+]1CCC([N@H+](C)CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC000464866692 331372052 /nfs/dbraw/zinc/37/20/52/331372052.db2.gz FGIOAVMKYZNYBF-HOTGVXAUSA-N 2 1 266.473 3.619 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC000464866692 331372053 /nfs/dbraw/zinc/37/20/53/331372053.db2.gz FGIOAVMKYZNYBF-HOTGVXAUSA-N 2 1 266.473 3.619 20 0 CHADMP C(CC[NH+]1C[C@H]2CCC[C@@H]2C1)CC[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000464874603 331372463 /nfs/dbraw/zinc/37/24/63/331372463.db2.gz BTHKLAIQFPBCCJ-MKXGPGLRSA-N 2 1 290.495 3.621 20 0 CHADMP CCSc1cccc(C[NH2+]CCC[NH+](CC)CC)c1 ZINC000471967404 331525051 /nfs/dbraw/zinc/52/50/51/331525051.db2.gz ZIRBQWUIPZJZGA-UHFFFAOYSA-N 2 1 280.481 3.620 20 0 CHADMP Cc1cc(Cl)ccc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475560143 331637352 /nfs/dbraw/zinc/63/73/52/331637352.db2.gz GYHOZJUGDBTQLZ-UHFFFAOYSA-N 2 1 292.854 3.755 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000488415767 332005701 /nfs/dbraw/zinc/00/57/01/332005701.db2.gz HFQSVEKKBTVFCZ-JTDSTZFVSA-N 2 1 286.463 3.807 20 0 CHADMP CC(C)[C@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CS1 ZINC000488439326 332008695 /nfs/dbraw/zinc/00/86/95/332008695.db2.gz ZPLKLLWFILROQM-IXDOHACOSA-N 2 1 298.540 3.618 20 0 CHADMP CC(C)[C@H](C[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1)[NH+]1CCCC1 ZINC000488452791 332010662 /nfs/dbraw/zinc/01/06/62/332010662.db2.gz BNSPHCUOAFZCAX-JYJNAYRXSA-N 2 1 298.540 3.617 20 0 CHADMP C[C@@H]([NH2+]C1CCC2(CC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000488508858 332014608 /nfs/dbraw/zinc/01/46/08/332014608.db2.gz UNYIZGSNWATALE-CVEARBPZSA-N 2 1 290.495 3.952 20 0 CHADMP Cc1cccc(N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000336657176 335109855 /nfs/dbraw/zinc/10/98/55/335109855.db2.gz MSQVCAMFCVRKJD-SJLPKXTDSA-N 2 1 295.430 3.713 20 0 CHADMP Cc1cccc(N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000336657176 335109856 /nfs/dbraw/zinc/10/98/56/335109856.db2.gz MSQVCAMFCVRKJD-SJLPKXTDSA-N 2 1 295.430 3.713 20 0 CHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccccc2Cl)C1 ZINC000247407787 334280365 /nfs/dbraw/zinc/28/03/65/334280365.db2.gz YIXQTRNJUJTYQA-KGLIPLIRSA-N 2 1 280.843 3.723 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccccc2Cl)C1 ZINC000247407787 334280367 /nfs/dbraw/zinc/28/03/67/334280367.db2.gz YIXQTRNJUJTYQA-KGLIPLIRSA-N 2 1 280.843 3.723 20 0 CHADMP c1cc2cc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)ccc2o1 ZINC000511989283 332949821 /nfs/dbraw/zinc/94/98/21/332949821.db2.gz KTDWADMYARHFRE-UHFFFAOYSA-N 2 1 298.430 3.929 20 0 CHADMP CC[C@H]1CC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000575773357 335114012 /nfs/dbraw/zinc/11/40/12/335114012.db2.gz MOSNZNXTGRXGPT-QFBILLFUSA-N 2 1 286.463 3.738 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000513111774 333004891 /nfs/dbraw/zinc/00/48/91/333004891.db2.gz MJHINGVVAHEFKT-IHRRRGAJSA-N 2 1 292.389 3.572 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000513111774 333004893 /nfs/dbraw/zinc/00/48/93/333004893.db2.gz MJHINGVVAHEFKT-IHRRRGAJSA-N 2 1 292.389 3.572 20 0 CHADMP CC(C)c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000513152090 333006426 /nfs/dbraw/zinc/00/64/26/333006426.db2.gz CCVOGADHBDCIIR-DFNIBXOVSA-N 2 1 286.463 3.867 20 0 CHADMP CC(C)c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000513152090 333006428 /nfs/dbraw/zinc/00/64/28/333006428.db2.gz CCVOGADHBDCIIR-DFNIBXOVSA-N 2 1 286.463 3.867 20 0 CHADMP CC(C)c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000513152090 333006430 /nfs/dbraw/zinc/00/64/30/333006430.db2.gz CCVOGADHBDCIIR-DFNIBXOVSA-N 2 1 286.463 3.867 20 0 CHADMP CCc1ccc([C@@H]2CCC[N@@H+](CCCn3ccnc3)C2)cc1 ZINC000513373345 333015860 /nfs/dbraw/zinc/01/58/60/333015860.db2.gz YJCRIIDTKILXMG-LJQANCHMSA-N 2 1 297.446 3.715 20 0 CHADMP C[C@H]1C[C@H](CC[NH2+]C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000513545567 333024788 /nfs/dbraw/zinc/02/47/88/333024788.db2.gz RGVASHMYGIDCJY-WMZOPIPTSA-N 2 1 286.463 3.819 20 0 CHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]C4CCC4)[C@@H]3C2)cc1 ZINC000513656742 333029918 /nfs/dbraw/zinc/02/99/18/333029918.db2.gz XBWNRRMEQNUSPT-DFQSSKMNSA-N 2 1 298.474 3.819 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+](CCSC(C)C)CC1 ZINC000513902925 333049380 /nfs/dbraw/zinc/04/93/80/333049380.db2.gz WZDRJNXAAHZZMH-UHFFFAOYSA-N 2 1 286.529 3.572 20 0 CHADMP C[C@@H]([NH2+]C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309813910 333049923 /nfs/dbraw/zinc/04/99/23/333049923.db2.gz XHNTVCMSPNKWLV-SJLPKXTDSA-N 2 1 286.463 3.819 20 0 CHADMP CC[C@H]([NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)c1c(C)noc1C ZINC000516855098 333084229 /nfs/dbraw/zinc/08/42/29/333084229.db2.gz SUAHCKLUMJPCDO-MAZHCROVSA-N 2 1 293.455 3.643 20 0 CHADMP CSC1(C[NH2+]CCC[N@@H+](C)C2CCCCC2)CCC1 ZINC000336809358 335120245 /nfs/dbraw/zinc/12/02/45/335120245.db2.gz VEOJBSQPKINFRE-UHFFFAOYSA-N 2 1 284.513 3.516 20 0 CHADMP Cc1cc(C)cc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000517536613 333101540 /nfs/dbraw/zinc/10/15/40/333101540.db2.gz TZVHDYGYTDLRNX-INIZCTEOSA-N 2 1 288.479 3.905 20 0 CHADMP C/C(=C/c1ccccc1)C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000521236554 333116080 /nfs/dbraw/zinc/11/60/80/333116080.db2.gz KLRWAUXIMCVACE-LYPXWFNGSA-N 2 1 286.463 3.800 20 0 CHADMP CC[C@H]([NH2+]CCC[N@H+](C)C(C)C)c1cccc(F)c1 ZINC000219091537 333141276 /nfs/dbraw/zinc/14/12/76/333141276.db2.gz GCLYMFFULSFQSX-INIZCTEOSA-N 2 1 266.404 3.597 20 0 CHADMP CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1cccc(F)c1 ZINC000219091537 333141277 /nfs/dbraw/zinc/14/12/77/333141277.db2.gz GCLYMFFULSFQSX-INIZCTEOSA-N 2 1 266.404 3.597 20 0 CHADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000186091335 333154820 /nfs/dbraw/zinc/15/48/20/333154820.db2.gz IHXPKFZNEGBQRZ-IBGZPJMESA-N 2 1 298.474 3.897 20 0 CHADMP CC[C@@H](C)[N@H+](C)CC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000186616594 333163711 /nfs/dbraw/zinc/16/37/11/333163711.db2.gz XGPHXIRPYZWTJI-IYXRBSQSSA-N 2 1 294.405 3.675 20 0 CHADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000186616594 333163712 /nfs/dbraw/zinc/16/37/12/333163712.db2.gz XGPHXIRPYZWTJI-IYXRBSQSSA-N 2 1 294.405 3.675 20 0 CHADMP Cc1cccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c1C ZINC000521818408 333189823 /nfs/dbraw/zinc/18/98/23/333189823.db2.gz LABQUJDZMLBGAH-MRXNPFEDSA-N 2 1 288.479 3.905 20 0 CHADMP CCc1cccc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1 ZINC000189721916 333198465 /nfs/dbraw/zinc/19/84/65/333198465.db2.gz SHKOEYKROAIZTJ-MAUKXSAKSA-N 2 1 283.419 3.529 20 0 CHADMP CC(C)[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccccc1 ZINC000223025102 333203405 /nfs/dbraw/zinc/20/34/05/333203405.db2.gz FKJWLTKZBVJMPV-KRWDZBQOSA-N 2 1 262.441 3.704 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000223023944 333203477 /nfs/dbraw/zinc/20/34/77/333203477.db2.gz LOVNKMJEBXEVOL-QGZVFWFLSA-N 2 1 278.415 3.597 20 0 CHADMP CC[C@@H](C)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000521942087 333224480 /nfs/dbraw/zinc/22/44/80/333224480.db2.gz WEESHSGLHAMPQM-GDBMZVCRSA-N 2 1 294.508 3.856 20 0 CHADMP CC[C@@H](C)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000521942087 333224481 /nfs/dbraw/zinc/22/44/81/333224481.db2.gz WEESHSGLHAMPQM-GDBMZVCRSA-N 2 1 294.508 3.856 20 0 CHADMP CC[C@@H](C)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000521942087 333224483 /nfs/dbraw/zinc/22/44/83/333224483.db2.gz WEESHSGLHAMPQM-GDBMZVCRSA-N 2 1 294.508 3.856 20 0 CHADMP CC[C@@H](C)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000521942090 333224596 /nfs/dbraw/zinc/22/45/96/333224596.db2.gz WEESHSGLHAMPQM-ZBFHGGJFSA-N 2 1 294.508 3.856 20 0 CHADMP CC[C@@H](C)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000521942090 333224597 /nfs/dbraw/zinc/22/45/97/333224597.db2.gz WEESHSGLHAMPQM-ZBFHGGJFSA-N 2 1 294.508 3.856 20 0 CHADMP CC[C@@H](C)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000521942090 333224598 /nfs/dbraw/zinc/22/45/98/333224598.db2.gz WEESHSGLHAMPQM-ZBFHGGJFSA-N 2 1 294.508 3.856 20 0 CHADMP C[C@H](CCC1CC1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192921531 333240223 /nfs/dbraw/zinc/24/02/23/333240223.db2.gz HTKNUBKLKSECEQ-APWZRJJASA-N 2 1 286.463 3.677 20 0 CHADMP CC(C)c1ccc([C@H](C)[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000227183770 333277633 /nfs/dbraw/zinc/27/76/33/333277633.db2.gz PMZCRRSZHVWILH-RLFYNMQTSA-N 2 1 274.452 3.930 20 0 CHADMP CC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000227540328 333285551 /nfs/dbraw/zinc/28/55/51/333285551.db2.gz IXPJAADLKYITRS-SQNIBIBYSA-N 2 1 266.388 3.872 20 0 CHADMP CC[NH+](CC)C[C@@H](C)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000228131655 333295123 /nfs/dbraw/zinc/29/51/23/333295123.db2.gz OIEABEQRQILFPD-IYXRBSQSSA-N 2 1 294.405 3.675 20 0 CHADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CC(c2ccccc2C)C1 ZINC000228819931 333297325 /nfs/dbraw/zinc/29/73/25/333297325.db2.gz CWBWEZGABRANDX-GTPINHCMSA-N 2 1 274.452 3.561 20 0 CHADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CC(c2ccccc2C)C1 ZINC000228819931 333297326 /nfs/dbraw/zinc/29/73/26/333297326.db2.gz CWBWEZGABRANDX-GTPINHCMSA-N 2 1 274.452 3.561 20 0 CHADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000228819903 333297409 /nfs/dbraw/zinc/29/74/09/333297409.db2.gz SHCVPENIDVGICD-BZOOQXSSSA-N 2 1 294.870 3.906 20 0 CHADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000228819903 333297407 /nfs/dbraw/zinc/29/74/07/333297407.db2.gz SHCVPENIDVGICD-BZOOQXSSSA-N 2 1 294.870 3.906 20 0 CHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(Cl)c(Cl)c3)C[C@@H]21 ZINC000230045971 333312509 /nfs/dbraw/zinc/31/25/09/333312509.db2.gz WPALSLPEZCWDHO-TYNCELHUSA-N 2 1 299.245 3.553 20 0 CHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(Cl)c(Cl)c3)C[C@@H]21 ZINC000230045971 333312510 /nfs/dbraw/zinc/31/25/10/333312510.db2.gz WPALSLPEZCWDHO-TYNCELHUSA-N 2 1 299.245 3.553 20 0 CHADMP C[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000230657338 333319852 /nfs/dbraw/zinc/31/98/52/333319852.db2.gz SNCSHXXQMXSFPC-AEFFLSMTSA-N 2 1 286.463 3.677 20 0 CHADMP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000230773858 333321706 /nfs/dbraw/zinc/32/17/06/333321706.db2.gz ITPKZSZPYZOKTL-WNRNVDISSA-N 2 1 278.484 3.808 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000524155928 333354683 /nfs/dbraw/zinc/35/46/83/333354683.db2.gz ZBPIBVMZAZJVOT-INIZCTEOSA-N 2 1 274.452 3.800 20 0 CHADMP C[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1)C1CC(F)(F)C1 ZINC000529530891 333493550 /nfs/dbraw/zinc/49/35/50/333493550.db2.gz JAMZSAHDPIJVMK-UMVBOHGHSA-N 2 1 288.426 3.520 20 0 CHADMP CC[C@H]1CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000576112695 335156241 /nfs/dbraw/zinc/15/62/41/335156241.db2.gz QFXZUQKRGPWWEB-FCFHUKJJSA-N 2 1 298.474 3.960 20 0 CHADMP C[C@H](CC[NH2+][C@H](C)c1cccc(F)c1)[NH+]1CCCCC1 ZINC000544374410 333927644 /nfs/dbraw/zinc/92/76/44/333927644.db2.gz MXJNCIMWFABEQU-HUUCEWRRSA-N 2 1 278.415 3.741 20 0 CHADMP CCC(CC)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000545899481 334004890 /nfs/dbraw/zinc/00/48/90/334004890.db2.gz PPUFJFVPPJDELH-UHFFFAOYSA-N 2 1 262.441 3.805 20 0 CHADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076002081 334065988 /nfs/dbraw/zinc/06/59/88/334065988.db2.gz LYOOWHYPBOQGCH-SJLPKXTDSA-N 2 1 274.452 3.801 20 0 CHADMP CC[C@H](C[NH2+][C@@H](C)C[NH+](CC)CC)c1ccccc1 ZINC000135612131 334134546 /nfs/dbraw/zinc/13/45/46/334134546.db2.gz NOBGQEIMYKOTND-JKSUJKDBSA-N 2 1 262.441 3.500 20 0 CHADMP C[N@@H+](C1CCCC1)C(C)(C)CN1CCCCCC1 ZINC000548634509 334164491 /nfs/dbraw/zinc/16/44/91/334164491.db2.gz YSBQFIHVOXOPDZ-UHFFFAOYSA-N 2 1 252.446 3.515 20 0 CHADMP CN(C1CCCC1)C(C)(C)C[NH+]1CCCCCC1 ZINC000548634509 334164492 /nfs/dbraw/zinc/16/44/92/334164492.db2.gz YSBQFIHVOXOPDZ-UHFFFAOYSA-N 2 1 252.446 3.515 20 0 CHADMP C([NH2+][C@@H]1CCC[C@H]2C[C@H]21)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000548883132 334178736 /nfs/dbraw/zinc/17/87/36/334178736.db2.gz XNJOCHRPVWKKKX-DZOHQFGASA-N 2 1 276.468 3.562 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CCN([C@H](CC)c2ccc(F)cc2)C1 ZINC000245429757 334192445 /nfs/dbraw/zinc/19/24/45/334192445.db2.gz NGWBJZOKEICMTD-CRAIPNDOSA-N 2 1 292.442 3.941 20 0 CHADMP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](CC)c2ccc(F)cc2)C1 ZINC000245429757 334192446 /nfs/dbraw/zinc/19/24/46/334192446.db2.gz NGWBJZOKEICMTD-CRAIPNDOSA-N 2 1 292.442 3.941 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](CC)c2ccc(F)cc2)C1 ZINC000245429757 334192447 /nfs/dbraw/zinc/19/24/47/334192447.db2.gz NGWBJZOKEICMTD-CRAIPNDOSA-N 2 1 292.442 3.941 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](CC)c2ccc(F)cc2)C1 ZINC000245429757 334192448 /nfs/dbraw/zinc/19/24/48/334192448.db2.gz NGWBJZOKEICMTD-CRAIPNDOSA-N 2 1 292.442 3.941 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](CC)c2ccc(F)cc2)C1 ZINC000245429757 334192449 /nfs/dbraw/zinc/19/24/49/334192449.db2.gz NGWBJZOKEICMTD-CRAIPNDOSA-N 2 1 292.442 3.941 20 0 CHADMP C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245461197 334195111 /nfs/dbraw/zinc/19/51/11/334195111.db2.gz WGJRVLXGYHRUPJ-HOTGVXAUSA-N 2 1 290.426 3.695 20 0 CHADMP C[C@@H](c1cccc(F)c1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245461197 334195112 /nfs/dbraw/zinc/19/51/12/334195112.db2.gz WGJRVLXGYHRUPJ-HOTGVXAUSA-N 2 1 290.426 3.695 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3ccccc3o2)[C@@H](C)C1 ZINC000246916263 334271904 /nfs/dbraw/zinc/27/19/04/334271904.db2.gz MUMOSNRRFIJQIK-WMLDXEAASA-N 2 1 286.419 3.595 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3ccccc3o2)[C@@H](C)C1 ZINC000246916263 334271906 /nfs/dbraw/zinc/27/19/06/334271906.db2.gz MUMOSNRRFIJQIK-WMLDXEAASA-N 2 1 286.419 3.595 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3ccccc3o2)[C@@H](C)C1 ZINC000246916263 334271907 /nfs/dbraw/zinc/27/19/07/334271907.db2.gz MUMOSNRRFIJQIK-WMLDXEAASA-N 2 1 286.419 3.595 20 0 CHADMP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccccc2F)C1 ZINC000081572687 334197241 /nfs/dbraw/zinc/19/72/41/334197241.db2.gz FTDGPIHZLMGREF-LSDHHAIUSA-N 2 1 278.415 3.550 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccccc2F)C1 ZINC000081572687 334197242 /nfs/dbraw/zinc/19/72/42/334197242.db2.gz FTDGPIHZLMGREF-LSDHHAIUSA-N 2 1 278.415 3.550 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC000081572687 334197243 /nfs/dbraw/zinc/19/72/43/334197243.db2.gz FTDGPIHZLMGREF-LSDHHAIUSA-N 2 1 278.415 3.550 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC000081572687 334197244 /nfs/dbraw/zinc/19/72/44/334197244.db2.gz FTDGPIHZLMGREF-LSDHHAIUSA-N 2 1 278.415 3.550 20 0 CHADMP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246930278 334271989 /nfs/dbraw/zinc/27/19/89/334271989.db2.gz GZXSBOCOCKJLMQ-TWMKSMIVSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246930278 334271990 /nfs/dbraw/zinc/27/19/90/334271990.db2.gz GZXSBOCOCKJLMQ-TWMKSMIVSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246930229 334272158 /nfs/dbraw/zinc/27/21/58/334272158.db2.gz GZXSBOCOCKJLMQ-QZWWFDLISA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246930229 334272160 /nfs/dbraw/zinc/27/21/60/334272160.db2.gz GZXSBOCOCKJLMQ-QZWWFDLISA-N 2 1 266.473 3.664 20 0 CHADMP CCCC[C@@H](CC)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000549840277 334206291 /nfs/dbraw/zinc/20/62/91/334206291.db2.gz FXRYJTYAXHIQCL-SJORKVTESA-N 2 1 266.473 3.621 20 0 CHADMP CCCC[C@@H](CC)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000549840277 334206292 /nfs/dbraw/zinc/20/62/92/334206292.db2.gz FXRYJTYAXHIQCL-SJORKVTESA-N 2 1 266.473 3.621 20 0 CHADMP CCCC[C@@H](CC)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000549840277 334206293 /nfs/dbraw/zinc/20/62/93/334206293.db2.gz FXRYJTYAXHIQCL-SJORKVTESA-N 2 1 266.473 3.621 20 0 CHADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)CC[C@H]1c1ccccc1 ZINC000245688333 334212660 /nfs/dbraw/zinc/21/26/60/334212660.db2.gz PYKGCJGKGOSFAL-BHIYHBOVSA-N 2 1 286.463 3.596 20 0 CHADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)CC[C@H]1c1ccccc1 ZINC000245688333 334212661 /nfs/dbraw/zinc/21/26/61/334212661.db2.gz PYKGCJGKGOSFAL-BHIYHBOVSA-N 2 1 286.463 3.596 20 0 CHADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)CC[C@H]1c1ccccc1 ZINC000245688333 334212662 /nfs/dbraw/zinc/21/26/62/334212662.db2.gz PYKGCJGKGOSFAL-BHIYHBOVSA-N 2 1 286.463 3.596 20 0 CHADMP CCC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245697744 334213343 /nfs/dbraw/zinc/21/33/43/334213343.db2.gz LHTDHGRKBLWGSY-REPLKXPHSA-N 2 1 298.474 3.962 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)C(C)(C)c2ccccc2)C1 ZINC000246984737 334273411 /nfs/dbraw/zinc/27/34/11/334273411.db2.gz JXHYHKFVKKVEIZ-IAGOWNOFSA-N 2 1 288.479 3.674 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)c2cccs2)C1 ZINC000246992321 334273450 /nfs/dbraw/zinc/27/34/50/334273450.db2.gz KGQQACVVVRFEQX-UONOGXRCSA-N 2 1 266.454 3.521 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(C)cc2)C2CC2)C1 ZINC000245939246 334224903 /nfs/dbraw/zinc/22/49/03/334224903.db2.gz ANOQLZNYPUDACM-QFBILLFUSA-N 2 1 286.463 3.768 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC2(C)C)C[C@@H]1c1ccccc1 ZINC000550680203 334226751 /nfs/dbraw/zinc/22/67/51/334226751.db2.gz JDLZLDJRHYLNSA-KSZLIROESA-N 2 1 286.463 3.990 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCC2(C)C)C[C@@H]1c1ccccc1 ZINC000550680203 334226752 /nfs/dbraw/zinc/22/67/52/334226752.db2.gz JDLZLDJRHYLNSA-KSZLIROESA-N 2 1 286.463 3.990 20 0 CHADMP CC1=CC[C@@H]([NH2+]C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000550893554 334232386 /nfs/dbraw/zinc/23/23/86/334232386.db2.gz ZIAPPEGSRVDUEK-IAGOWNOFSA-N 2 1 264.457 3.585 20 0 CHADMP C[C@H]1C[C@H]1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000550940887 334234612 /nfs/dbraw/zinc/23/46/12/334234612.db2.gz ZMIMMUOYSJRNQM-FLODPWGTSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H]1C[C@H]1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000550940889 334234730 /nfs/dbraw/zinc/23/47/30/334234730.db2.gz ZMIMMUOYSJRNQM-SVUBNXHSSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(C2CC2)c1 ZINC000551050624 334237125 /nfs/dbraw/zinc/23/71/25/334237125.db2.gz JKAHUXPTOMLHHN-CABCVRRESA-N 2 1 272.436 3.556 20 0 CHADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000551175549 334240003 /nfs/dbraw/zinc/24/00/03/334240003.db2.gz MNAMWXPFVMJBEG-KCITZHQASA-N 2 1 286.463 3.848 20 0 CHADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000551175549 334240004 /nfs/dbraw/zinc/24/00/04/334240004.db2.gz MNAMWXPFVMJBEG-KCITZHQASA-N 2 1 286.463 3.848 20 0 CHADMP CCC1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000551525855 334252488 /nfs/dbraw/zinc/25/24/88/334252488.db2.gz TWCPASWQSCBQEV-JVGQSUMCSA-N 2 1 286.463 3.675 20 0 CHADMP CCC1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000551525855 334252489 /nfs/dbraw/zinc/25/24/89/334252489.db2.gz TWCPASWQSCBQEV-JVGQSUMCSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC2(C)C)CC1 ZINC000551530888 334252762 /nfs/dbraw/zinc/25/27/62/334252762.db2.gz ZFOWJOHFGNZNRH-MAUKXSAKSA-N 2 1 286.463 3.990 20 0 CHADMP CC[C@@H](c1ccc(F)cc1F)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246766043 334269210 /nfs/dbraw/zinc/26/92/10/334269210.db2.gz GRATUCOPKOSWEC-GUYCJALGSA-N 2 1 296.405 3.690 20 0 CHADMP Cc1nc(C)c([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)s1 ZINC000246850855 334270690 /nfs/dbraw/zinc/27/06/90/334270690.db2.gz BSAGABDRCBUIHJ-CHWSQXEVSA-N 2 1 295.496 3.675 20 0 CHADMP Cc1nc(C)c([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)s1 ZINC000246850855 334270691 /nfs/dbraw/zinc/27/06/91/334270691.db2.gz BSAGABDRCBUIHJ-CHWSQXEVSA-N 2 1 295.496 3.675 20 0 CHADMP C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246870812 334270862 /nfs/dbraw/zinc/27/08/62/334270862.db2.gz ALOWLIIRGSEOAN-MAUKXSAKSA-N 2 1 290.426 3.837 20 0 CHADMP C[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246870812 334270863 /nfs/dbraw/zinc/27/08/63/334270863.db2.gz ALOWLIIRGSEOAN-MAUKXSAKSA-N 2 1 290.426 3.837 20 0 CHADMP Cc1cccc(C(C)(C)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000246888662 334271405 /nfs/dbraw/zinc/27/14/05/334271405.db2.gz DOJMZBUTYOCWBB-JFIYKMOQSA-N 2 1 288.479 3.591 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CC[N@@H+]1C ZINC000246903229 334271660 /nfs/dbraw/zinc/27/16/60/334271660.db2.gz FYEBLLOTCGZMEA-KLHDSHLOSA-N 2 1 266.473 3.664 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CC[N@H+]1C ZINC000246903229 334271662 /nfs/dbraw/zinc/27/16/62/334271662.db2.gz FYEBLLOTCGZMEA-KLHDSHLOSA-N 2 1 266.473 3.664 20 0 CHADMP C[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000552048966 334281525 /nfs/dbraw/zinc/28/15/25/334281525.db2.gz FZXMMFONQREKTI-QXCFHYIPSA-N 2 1 286.463 3.643 20 0 CHADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)ccc1Cl ZINC000552067614 334284916 /nfs/dbraw/zinc/28/49/16/334284916.db2.gz RJACBIZEHHKPET-OIISXLGYSA-N 2 1 292.854 3.611 20 0 CHADMP Cc1ccccc1[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000248149485 334295961 /nfs/dbraw/zinc/29/59/61/334295961.db2.gz QPCRFPKABBKJSW-XYJFISCASA-N 2 1 274.452 3.764 20 0 CHADMP Cc1ccccc1[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000248149485 334295962 /nfs/dbraw/zinc/29/59/62/334295962.db2.gz QPCRFPKABBKJSW-XYJFISCASA-N 2 1 274.452 3.764 20 0 CHADMP Cc1c[nH+]ccc1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248666549 334312106 /nfs/dbraw/zinc/31/21/06/334312106.db2.gz OEPSFQIUQNBUPY-WMZOPIPTSA-N 2 1 295.430 3.855 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cs2)[C@@H](C)C1 ZINC000248741525 334315357 /nfs/dbraw/zinc/31/53/57/334315357.db2.gz RAIFDVOOYIDUHE-SMDDNHRTSA-N 2 1 286.872 3.564 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cs2)[C@@H](C)C1 ZINC000248741525 334315358 /nfs/dbraw/zinc/31/53/58/334315358.db2.gz RAIFDVOOYIDUHE-SMDDNHRTSA-N 2 1 286.872 3.564 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)cs2)[C@@H](C)C1 ZINC000248741525 334315359 /nfs/dbraw/zinc/31/53/59/334315359.db2.gz RAIFDVOOYIDUHE-SMDDNHRTSA-N 2 1 286.872 3.564 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cs2)[C@@H](C)C1 ZINC000248741525 334315360 /nfs/dbraw/zinc/31/53/60/334315360.db2.gz RAIFDVOOYIDUHE-SMDDNHRTSA-N 2 1 286.872 3.564 20 0 CHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3occc32)C1 ZINC000248760089 334316626 /nfs/dbraw/zinc/31/66/26/334316626.db2.gz DIGLUXCLJVHPPB-WBVHZDCISA-N 2 1 290.451 3.615 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3occc32)C1 ZINC000248760089 334316627 /nfs/dbraw/zinc/31/66/27/334316627.db2.gz DIGLUXCLJVHPPB-WBVHZDCISA-N 2 1 290.451 3.615 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000552337425 334318064 /nfs/dbraw/zinc/31/80/64/334318064.db2.gz UDBCJJBBIVIJPT-VJFUWPCTSA-N 2 1 290.426 3.536 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000552337425 334318066 /nfs/dbraw/zinc/31/80/66/334318066.db2.gz UDBCJJBBIVIJPT-VJFUWPCTSA-N 2 1 290.426 3.536 20 0 CHADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000248898261 334321318 /nfs/dbraw/zinc/32/13/18/334321318.db2.gz NYSMHHPKPHAIDM-AHCXZYCDSA-N 2 1 278.484 3.521 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCC12CCCC2 ZINC000249030547 334325069 /nfs/dbraw/zinc/32/50/69/334325069.db2.gz FGAUUFKUQNEDTI-IRXDYDNUSA-N 2 1 278.484 3.953 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+]CC[C@H](C)c2ccccc2)C1 ZINC000249041515 334325677 /nfs/dbraw/zinc/32/56/77/334325677.db2.gz UVQNXENBKAEVQT-DLBZAZTESA-N 2 1 274.452 3.502 20 0 CHADMP C[C@H](CCC1CC1)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000249066282 334326535 /nfs/dbraw/zinc/32/65/35/334326535.db2.gz ZLSNZIZHPIBZFO-JKSUJKDBSA-N 2 1 266.473 3.667 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)Cc2ccccc2)[C@@H](C)C1 ZINC000249420318 334333764 /nfs/dbraw/zinc/33/37/64/334333764.db2.gz HJZIXHJFBXGGFP-AOIWGVFYSA-N 2 1 288.479 3.527 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)Cc2ccccc2)[C@@H](C)C1 ZINC000249420318 334333765 /nfs/dbraw/zinc/33/37/65/334333765.db2.gz HJZIXHJFBXGGFP-AOIWGVFYSA-N 2 1 288.479 3.527 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)Cc2ccccc2)[C@@H](C)C1 ZINC000249420318 334333767 /nfs/dbraw/zinc/33/37/67/334333767.db2.gz HJZIXHJFBXGGFP-AOIWGVFYSA-N 2 1 288.479 3.527 20 0 CHADMP c1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250529943 334345706 /nfs/dbraw/zinc/34/57/06/334345706.db2.gz KGYBEUXMEKWTNH-LNLFQRSKSA-N 2 1 284.447 3.671 20 0 CHADMP CCc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000250529080 334345774 /nfs/dbraw/zinc/34/57/74/334345774.db2.gz SWPJMDRTXBSCHN-WBAXXEDZSA-N 2 1 272.436 3.526 20 0 CHADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCc2occc21 ZINC000251221695 334358390 /nfs/dbraw/zinc/35/83/90/334358390.db2.gz OKBFNAWTCBHTCJ-FMKPAKJESA-N 2 1 276.424 3.557 20 0 CHADMP CCC1CCC(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000251560605 334364264 /nfs/dbraw/zinc/36/42/64/334364264.db2.gz IKYIRWJSBPIYFK-RNONSGAXSA-N 2 1 266.473 3.521 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000251676219 334366557 /nfs/dbraw/zinc/36/65/57/334366557.db2.gz HOZPSIKIMBSFJW-DNVCBOLYSA-N 2 1 280.415 3.523 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)C1CCCC1 ZINC000090798237 334367981 /nfs/dbraw/zinc/36/79/81/334367981.db2.gz CNJTZHOHUYLKOT-FMKPAKJESA-N 2 1 266.473 3.521 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000251779786 334369549 /nfs/dbraw/zinc/36/95/49/334369549.db2.gz SKBOWOHMVWJABF-UONOGXRCSA-N 2 1 280.843 3.723 20 0 CHADMP CC[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000251836242 334370428 /nfs/dbraw/zinc/37/04/28/334370428.db2.gz QJEQWJZAQUSFNI-ZSNVMCELSA-N 2 1 264.457 3.560 20 0 CHADMP CC[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000251836242 334370430 /nfs/dbraw/zinc/37/04/30/334370430.db2.gz QJEQWJZAQUSFNI-ZSNVMCELSA-N 2 1 264.457 3.560 20 0 CHADMP C[C@@H](NCCC[N@H+]1CCCC[C@H]1C)c1cc(F)cc(F)c1 ZINC000252106331 334373714 /nfs/dbraw/zinc/37/37/14/334373714.db2.gz HBEBFJISJCRQKI-ZIAGYGMSSA-N 2 1 296.405 3.880 20 0 CHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cc(F)cc(F)c1 ZINC000252106331 334373715 /nfs/dbraw/zinc/37/37/15/334373715.db2.gz HBEBFJISJCRQKI-ZIAGYGMSSA-N 2 1 296.405 3.880 20 0 CHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cc(F)cc(F)c1 ZINC000252106331 334373716 /nfs/dbraw/zinc/37/37/16/334373716.db2.gz HBEBFJISJCRQKI-ZIAGYGMSSA-N 2 1 296.405 3.880 20 0 CHADMP CC(C)(C)C1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000252673755 334384908 /nfs/dbraw/zinc/38/49/08/334384908.db2.gz LZTKVVINMWYDFB-BACDZXNISA-N 2 1 278.484 3.808 20 0 CHADMP C[C@@H](CCc1ccccc1)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000553469634 334386897 /nfs/dbraw/zinc/38/68/97/334386897.db2.gz XOFPOWJRSZTSTF-HKUYNNGSSA-N 2 1 288.479 3.529 20 0 CHADMP C[C@@H](CCc1ccccc1)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000553469634 334386899 /nfs/dbraw/zinc/38/68/99/334386899.db2.gz XOFPOWJRSZTSTF-HKUYNNGSSA-N 2 1 288.479 3.529 20 0 CHADMP C[C@@H](CCc1ccccc1)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000553469634 334386901 /nfs/dbraw/zinc/38/69/01/334386901.db2.gz XOFPOWJRSZTSTF-HKUYNNGSSA-N 2 1 288.479 3.529 20 0 CHADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCSc3ccccc32)c2ccccc21 ZINC000252762221 334390887 /nfs/dbraw/zinc/39/08/87/334390887.db2.gz DQJJRZDIGCMGDY-IXDOHACOSA-N 2 1 296.439 3.958 20 0 CHADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(-c2ccccc2)o1 ZINC000567639438 334745112 /nfs/dbraw/zinc/74/51/12/334745112.db2.gz PCSCJZIPJXCIJV-CQSZACIVSA-N 2 1 272.392 3.597 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)CCc2ccccc2)C1 ZINC000176282224 335256465 /nfs/dbraw/zinc/25/64/65/335256465.db2.gz OREMQJXMFQRYOZ-PKOBYXMFSA-N 2 1 288.479 3.671 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)CCc2ccccc2)C1 ZINC000176282224 335256466 /nfs/dbraw/zinc/25/64/66/335256466.db2.gz OREMQJXMFQRYOZ-PKOBYXMFSA-N 2 1 288.479 3.671 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)CCc2ccccc2)C1 ZINC000176282224 335256467 /nfs/dbraw/zinc/25/64/67/335256467.db2.gz OREMQJXMFQRYOZ-PKOBYXMFSA-N 2 1 288.479 3.671 20 0 CHADMP CC[NH2+]CCC[NH2+][C@@H](CC)c1cccc(Cl)c1F ZINC000578878229 335683481 /nfs/dbraw/zinc/68/34/81/335683481.db2.gz CKPUYGJYDGWXDG-ZDUSSCGKSA-N 2 1 272.795 3.519 20 0 CHADMP CC[NH2+]CCC[NH2+][C@H](CC)c1cccc(Cl)c1F ZINC000578878228 335683611 /nfs/dbraw/zinc/68/36/11/335683611.db2.gz CKPUYGJYDGWXDG-CYBMUJFWSA-N 2 1 272.795 3.519 20 0 CHADMP C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382430071 336089204 /nfs/dbraw/zinc/08/92/04/336089204.db2.gz ZOSLDCWSPVBWHG-ZDNSCYFHSA-N 2 1 298.474 3.675 20 0 CHADMP C([NH2+][C@H]1CCCCC12CCCC2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000383737605 336117255 /nfs/dbraw/zinc/11/72/55/336117255.db2.gz ADNAIXZZBIWMTQ-WBVHZDCISA-N 2 1 276.468 3.563 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@@H]1CCc2c1cccc2Cl)C1CC1 ZINC000581985215 336184929 /nfs/dbraw/zinc/18/49/29/336184929.db2.gz MPVGCYQIHDXDHG-QGZVFWFLSA-N 2 1 292.854 3.791 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc2c(c1)CCCC2 ZINC000387398958 336193412 /nfs/dbraw/zinc/19/34/12/336193412.db2.gz YDUBVAJDMWOHFF-LRLLJDFBSA-N 2 1 298.474 3.841 20 0 CHADMP Cc1cc2cc(C[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)oc2cc1C ZINC000347040476 534086435 /nfs/dbraw/zinc/08/64/35/534086435.db2.gz HYDNVUFGXMUFKQ-GJZGRUSLSA-N 2 1 286.419 3.609 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000164615261 518193382 /nfs/dbraw/zinc/19/33/82/518193382.db2.gz FFXKNPCAOFPOHY-INIZCTEOSA-N 2 1 285.435 3.939 20 0 CHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2nccc3ccccc32)C1 ZINC000289661142 519864151 /nfs/dbraw/zinc/86/41/51/519864151.db2.gz IRKIQUVPHQNJMC-HZPDHXFCSA-N 2 1 297.446 3.617 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2nccc3ccccc32)C1 ZINC000289661142 519864153 /nfs/dbraw/zinc/86/41/53/519864153.db2.gz IRKIQUVPHQNJMC-HZPDHXFCSA-N 2 1 297.446 3.617 20 0 CHADMP c1cc(-c2ccccc2)oc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352545109 534464250 /nfs/dbraw/zinc/46/42/50/534464250.db2.gz FXPITONOVDNPDN-IBGZPJMESA-N 2 1 296.414 3.522 20 0 CHADMP c1cc(-c2ccccc2)oc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352545109 534464257 /nfs/dbraw/zinc/46/42/57/534464257.db2.gz FXPITONOVDNPDN-IBGZPJMESA-N 2 1 296.414 3.522 20 0 CHADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2csc3ccccc23)C1 ZINC000072859414 520255640 /nfs/dbraw/zinc/25/56/40/520255640.db2.gz KCAADUOFECPYOU-CQSZACIVSA-N 2 1 288.460 3.675 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2csc3ccccc23)C1 ZINC000072859414 520255643 /nfs/dbraw/zinc/25/56/43/520255643.db2.gz KCAADUOFECPYOU-CQSZACIVSA-N 2 1 288.460 3.675 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2csc3ccccc23)C1 ZINC000072859414 520255649 /nfs/dbraw/zinc/25/56/49/520255649.db2.gz KCAADUOFECPYOU-CQSZACIVSA-N 2 1 288.460 3.675 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000264988545 520401190 /nfs/dbraw/zinc/40/11/90/520401190.db2.gz MJLLWGJNCWXSQL-MRXNPFEDSA-N 2 1 289.467 3.587 20 0 CHADMP CCCC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000037267027 521097894 /nfs/dbraw/zinc/09/78/94/521097894.db2.gz PSXKSPJOJXZWKZ-QGZVFWFLSA-N 2 1 278.415 3.741 20 0 CHADMP CCCC[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000037256131 521238755 /nfs/dbraw/zinc/23/87/55/521238755.db2.gz VZRRRGRYPDRLCA-KRWDZBQOSA-N 2 1 260.425 3.602 20 0 CHADMP CCC[NH+](CCC)CCC[NH2+]Cc1ccsc1C ZINC000339226294 521646692 /nfs/dbraw/zinc/64/66/92/521646692.db2.gz KUZLDFBJZOAIIJ-UHFFFAOYSA-N 2 1 268.470 3.658 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H]1CC=CCC1 ZINC000290498786 521663038 /nfs/dbraw/zinc/66/30/38/521663038.db2.gz PAHNKINJSNUFCF-INIZCTEOSA-N 2 1 275.440 3.514 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H]1CC=CCC1 ZINC000290498786 521663041 /nfs/dbraw/zinc/66/30/41/521663041.db2.gz PAHNKINJSNUFCF-INIZCTEOSA-N 2 1 275.440 3.514 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc3ccccc3s2)CC1 ZINC000277331911 522042552 /nfs/dbraw/zinc/04/25/52/522042552.db2.gz VQPBLSGCFOHOAZ-OAHLLOKOSA-N 2 1 288.460 3.817 20 0 CHADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1cccc(Cl)c1 ZINC000037878826 522813576 /nfs/dbraw/zinc/81/35/76/522813576.db2.gz DOBCNRKFLMUXFK-MRXNPFEDSA-N 2 1 280.843 3.865 20 0 CHADMP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339425639 523101180 /nfs/dbraw/zinc/10/11/80/523101180.db2.gz GCQDWSWJBUWGNT-ZWKOTPCHSA-N 2 1 272.436 3.555 20 0 CHADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339425639 523101185 /nfs/dbraw/zinc/10/11/85/523101185.db2.gz GCQDWSWJBUWGNT-ZWKOTPCHSA-N 2 1 272.436 3.555 20 0 CHADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339425639 523101188 /nfs/dbraw/zinc/10/11/88/523101188.db2.gz GCQDWSWJBUWGNT-ZWKOTPCHSA-N 2 1 272.436 3.555 20 0 CHADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339425639 523101195 /nfs/dbraw/zinc/10/11/95/523101195.db2.gz GCQDWSWJBUWGNT-ZWKOTPCHSA-N 2 1 272.436 3.555 20 0 CHADMP CC[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@H]1c1ccccc1 ZINC000246551085 523271031 /nfs/dbraw/zinc/27/10/31/523271031.db2.gz TUSUALKRJMMNPO-PKOBYXMFSA-N 2 1 286.463 3.502 20 0 CHADMP C[NH+]1CCC(CNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000044526299 523764574 /nfs/dbraw/zinc/76/45/74/523764574.db2.gz YOKWQLLEMWRJCJ-UHFFFAOYSA-N 2 1 289.810 3.642 20 0 CHADMP Cc1cccc(N2CCC([NH2+][C@H]3CC[C@@H]3C3CCC3)CC2)[nH+]1 ZINC000337997759 524540933 /nfs/dbraw/zinc/54/09/33/524540933.db2.gz MUMPJVBVNWSABB-MSOLQXFVSA-N 2 1 299.462 3.527 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C3CCC3)cc2)CC[N@H+]1C ZINC000277285125 524809303 /nfs/dbraw/zinc/80/93/03/524809303.db2.gz SXKRIDXUQYEIAK-KSSFIOAISA-N 2 1 272.436 3.526 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCSc2ccccc21 ZINC000037128154 524914841 /nfs/dbraw/zinc/91/48/41/524914841.db2.gz MXTZMRXYNLKUIF-XOUADPBQSA-N 2 1 290.476 3.542 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2CC(c3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC000157757647 524922042 /nfs/dbraw/zinc/92/20/42/524922042.db2.gz JCVPKKCBBHZRMY-DUFSDNGMSA-N 2 1 292.854 3.658 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2CC(c3cccc(Cl)c3)C2)CC[N@H+]1C ZINC000157757647 524922049 /nfs/dbraw/zinc/92/20/49/524922049.db2.gz JCVPKKCBBHZRMY-DUFSDNGMSA-N 2 1 292.854 3.658 20 0 CHADMP CSC1(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000290490054 525333132 /nfs/dbraw/zinc/33/31/32/525333132.db2.gz VXZMYLKSDFCXFM-UHFFFAOYSA-N 2 1 292.492 3.512 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc2ccccc2c1 ZINC000037248824 525402108 /nfs/dbraw/zinc/40/21/08/525402108.db2.gz UBXLQVDIGINFSP-CQSZACIVSA-N 2 1 268.404 3.585 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000129665431 525437115 /nfs/dbraw/zinc/43/71/15/525437115.db2.gz JNZNKAWWMVEMRZ-CZUORRHYSA-N 2 1 294.870 3.690 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC=CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274898611 525547444 /nfs/dbraw/zinc/54/74/44/525547444.db2.gz KSSIPXXYBUJCTN-YTQUADARSA-N 2 1 284.447 3.595 20 0 CHADMP C[C@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000291292433 525587954 /nfs/dbraw/zinc/58/79/54/525587954.db2.gz ZZTPDSFCTIYLAE-SMMRIJLZSA-N 2 1 298.474 3.785 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc2ccccc21 ZINC000093978075 525617734 /nfs/dbraw/zinc/61/77/34/525617734.db2.gz PREAVEQNOPUMDS-ZOBUZTSGSA-N 2 1 282.431 3.973 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc2ccccc21 ZINC000093978075 525617739 /nfs/dbraw/zinc/61/77/39/525617739.db2.gz PREAVEQNOPUMDS-ZOBUZTSGSA-N 2 1 282.431 3.973 20 0 CHADMP Fc1cc(Cl)cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000275005162 526300680 /nfs/dbraw/zinc/30/06/80/526300680.db2.gz OQSMDSYEOIBRNE-UHFFFAOYSA-N 2 1 296.817 3.586 20 0 CHADMP c1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649275 526501816 /nfs/dbraw/zinc/50/18/16/526501816.db2.gz VUVJMDHBDMLYCS-KXBFYZLASA-N 2 1 284.447 3.528 20 0 CHADMP Cc1oc2ccccc2c1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277359439 526786486 /nfs/dbraw/zinc/78/64/86/526786486.db2.gz FDLYOOABJDHYOQ-OAHLLOKOSA-N 2 1 286.419 3.657 20 0 CHADMP [NH3+]C[C@H]1CCC[N@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000044529628 527234221 /nfs/dbraw/zinc/23/42/21/527234221.db2.gz HBSLUVWHCKVSJR-LLVKDONJSA-N 2 1 294.851 3.725 20 0 CHADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000044529628 527234226 /nfs/dbraw/zinc/23/42/26/527234226.db2.gz HBSLUVWHCKVSJR-LLVKDONJSA-N 2 1 294.851 3.725 20 0 CHADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccccc32)c2ccccc21 ZINC000227535362 527375303 /nfs/dbraw/zinc/37/53/03/527375303.db2.gz AGNDVKUMZFMNQG-GUDVDZBRSA-N 2 1 278.399 3.798 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000338017555 527420582 /nfs/dbraw/zinc/42/05/82/527420582.db2.gz NUKJSPHDUVEVSV-HNNXBMFYSA-N 2 1 271.408 3.549 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000276405161 527422455 /nfs/dbraw/zinc/42/24/55/527422455.db2.gz UCUQALOGSLORKL-JTQLQIEISA-N 2 1 283.828 3.647 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(C)cc(Cl)c1 ZINC000339234959 527446246 /nfs/dbraw/zinc/44/62/46/527446246.db2.gz CXPKSLYJYRWMOR-CYBMUJFWSA-N 2 1 291.826 3.579 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3ncccc3c2)C[C@H]1C ZINC000353748074 527834308 /nfs/dbraw/zinc/83/43/08/527834308.db2.gz PGZMEKVDXGHOGJ-QAPCUYQASA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3ncccc3c2)C[C@H]1C ZINC000353748074 527834313 /nfs/dbraw/zinc/83/43/13/527834313.db2.gz PGZMEKVDXGHOGJ-QAPCUYQASA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3ncccc3c2)C[C@H]1C ZINC000353748074 527834317 /nfs/dbraw/zinc/83/43/17/527834317.db2.gz PGZMEKVDXGHOGJ-QAPCUYQASA-N 2 1 297.446 3.539 20 0 CHADMP CCCCC[C@@H]1CCC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347934678 528261660 /nfs/dbraw/zinc/26/16/60/528261660.db2.gz ZFVCZJHHWMQBAY-CQSZACIVSA-N 2 1 295.496 3.749 20 0 CHADMP CCCCC[C@@H]1CCC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347934678 528261668 /nfs/dbraw/zinc/26/16/68/528261668.db2.gz ZFVCZJHHWMQBAY-CQSZACIVSA-N 2 1 295.496 3.749 20 0 CHADMP CC(C)[N@H+](Cc1ncc(C[NH+](C)C)s1)C1CCCCC1 ZINC000347585848 528967545 /nfs/dbraw/zinc/96/75/45/528967545.db2.gz KZWFSVQAOKTZCT-UHFFFAOYSA-N 2 1 295.496 3.748 20 0 CHADMP CC(C)[N@@H+](Cc1ncc(C[NH+](C)C)s1)C1CCCCC1 ZINC000347585848 528967553 /nfs/dbraw/zinc/96/75/53/528967553.db2.gz KZWFSVQAOKTZCT-UHFFFAOYSA-N 2 1 295.496 3.748 20 0 CHADMP CCSc1cccc(C[N@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000352526725 529250051 /nfs/dbraw/zinc/25/00/51/529250051.db2.gz RCMUKKJVMGJRJR-HNNXBMFYSA-N 2 1 278.465 3.502 20 0 CHADMP C[NH+]1CCC([NH2+][C@H](c2cccs2)C2CCCC2)CC1 ZINC000037128734 1117968028 /nfs/dbraw/zinc/96/80/28/1117968028.db2.gz NRSWQPXRXLYUGD-INIZCTEOSA-N 2 1 278.465 3.663 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000130651037 1125483524 /nfs/dbraw/zinc/48/35/24/1125483524.db2.gz MNRJQLQNZJQCLB-UKRRQHHQSA-N 2 1 286.419 3.656 20 0 CHADMP Cc1oc2ccccc2c1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000130651037 1125483526 /nfs/dbraw/zinc/48/35/26/1125483526.db2.gz MNRJQLQNZJQCLB-UKRRQHHQSA-N 2 1 286.419 3.656 20 0 CHADMP Cc1oc2ccccc2c1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000130651037 1125483528 /nfs/dbraw/zinc/48/35/28/1125483528.db2.gz MNRJQLQNZJQCLB-UKRRQHHQSA-N 2 1 286.419 3.656 20 0 CHADMP Cc1oc2ccccc2c1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000130651037 1125483533 /nfs/dbraw/zinc/48/35/33/1125483533.db2.gz MNRJQLQNZJQCLB-UKRRQHHQSA-N 2 1 286.419 3.656 20 0 CHADMP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000579877963 1117979767 /nfs/dbraw/zinc/97/97/67/1117979767.db2.gz YMOACVAIBDUHCM-BBWFWOEESA-N 2 1 268.489 3.911 20 0 CHADMP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+](C)CCC[NH3+] ZINC000146519978 1118252619 /nfs/dbraw/zinc/25/26/19/1118252619.db2.gz UUNCSCKXUHUGTG-NSHDSACASA-N 2 1 289.250 3.595 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)C[C@@H]1C ZINC000251760320 1125501855 /nfs/dbraw/zinc/50/18/55/1125501855.db2.gz KEOASSPXFQHIME-TWMKSMIVSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@@H]1CC[C@@H]([NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000093336726 1125502369 /nfs/dbraw/zinc/50/23/69/1125502369.db2.gz AKLMXKOQCLHJQJ-NZSAHSFTSA-N 2 1 286.463 3.629 20 0 CHADMP C[N@@H+](CCCCCC[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000710693786 1121474625 /nfs/dbraw/zinc/47/46/25/1121474625.db2.gz MPXUOWZWDHFRCP-UHFFFAOYSA-N 2 1 288.357 3.656 20 0 CHADMP CC1(C)CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000086903870 1121528614 /nfs/dbraw/zinc/52/86/14/1121528614.db2.gz CQPPCIFTKPDXFY-AWEZNQCLSA-N 2 1 264.457 3.562 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000502717923 1122141702 /nfs/dbraw/zinc/14/17/02/1122141702.db2.gz HOAQLXOLIINWJA-SJORKVTESA-N 2 1 264.457 3.515 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000502717923 1122141704 /nfs/dbraw/zinc/14/17/04/1122141704.db2.gz HOAQLXOLIINWJA-SJORKVTESA-N 2 1 264.457 3.515 20 0 CHADMP C[C@@H]1CCCC[C@@H]1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC001191259413 1122584696 /nfs/dbraw/zinc/58/46/96/1122584696.db2.gz VMSPCWSVYZXBKZ-BRWVUGGUSA-N 2 1 266.473 3.619 20 0 CHADMP CCC[NH+](CCC)CCC[NH2+]Cc1ccc(C)c(F)c1 ZINC000520216424 1123064283 /nfs/dbraw/zinc/06/42/83/1123064283.db2.gz FLZHCJXQZMQJHF-UHFFFAOYSA-N 2 1 280.431 3.736 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)CCCC(F)(F)F)CC1 ZINC001202445362 1123208815 /nfs/dbraw/zinc/20/88/15/1123208815.db2.gz YFTPHHAYYWETJC-UHFFFAOYSA-N 2 1 280.378 3.525 20 0 CHADMP CCC(CC)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(F)(F)F ZINC000865756294 1124010304 /nfs/dbraw/zinc/01/03/04/1124010304.db2.gz IYDDWGMDCFWNHQ-CHWSQXEVSA-N 2 1 292.389 3.572 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)CC[C@@H]2CCCC2(F)F)CC1 ZINC000878034187 1125113945 /nfs/dbraw/zinc/11/39/45/1125113945.db2.gz KJRUSPXCCNPFQW-AWEZNQCLSA-N 2 1 288.426 3.617 20 0 CHADMP CC[N@@H+](CCCCCC[NH3+])[C@H](C)c1cccc(OC)c1 ZINC000846218428 1131701004 /nfs/dbraw/zinc/70/10/04/1131701004.db2.gz OCMZYVYLGNVXPA-OAHLLOKOSA-N 2 1 278.440 3.597 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)[C@H](C)CCO[C@@H](C)CC)CC1 ZINC001172358987 1132187159 /nfs/dbraw/zinc/18/71/59/1132187159.db2.gz HKFCUSVVDPPQKP-SJORKVTESA-N 2 1 298.515 3.776 20 0 CHADMP CCCCCC[C@@H](CCC)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001172386988 1132212057 /nfs/dbraw/zinc/21/20/57/1132212057.db2.gz OGAPMWXDRLOIGU-IXDOHACOSA-N 2 1 266.473 3.619 20 0 CHADMP CCCCCC[C@@H](CCC)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001172386988 1132212061 /nfs/dbraw/zinc/21/20/61/1132212061.db2.gz OGAPMWXDRLOIGU-IXDOHACOSA-N 2 1 266.473 3.619 20 0 CHADMP CC[C@H]([NH2+]C1CCN(C2CC2)CC1)c1cc(F)ccc1F ZINC000119664474 1125536009 /nfs/dbraw/zinc/53/60/09/1125536009.db2.gz KOVLGRRWEAXXGS-KRWDZBQOSA-N 2 1 294.389 3.632 20 0 CHADMP CCC(CC)[C@H](C[NH2+][C@H]1CC(C)(C)C[C@H]1C)[NH+](C)C ZINC000300132479 1125550506 /nfs/dbraw/zinc/55/05/06/1125550506.db2.gz GEBHEDPJBNHRLN-KBMXLJTQSA-N 2 1 268.489 3.767 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205980785 1125560965 /nfs/dbraw/zinc/56/09/65/1125560965.db2.gz AEWBEVXAUPCEQX-OSNZYPHYSA-N 2 1 266.473 3.820 20 0 CHADMP CC[NH+](CC)Cc1ccccc1Nc1c[nH+]c2ccccn12 ZINC001211989308 1125603693 /nfs/dbraw/zinc/60/36/93/1125603693.db2.gz NXYAKVZZZMDIFB-UHFFFAOYSA-N 2 1 294.402 3.920 20 0 CHADMP Cc1coc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)c1 ZINC000885908669 1125625658 /nfs/dbraw/zinc/62/56/58/1125625658.db2.gz XFGZQUSFSAVIKB-UHFFFAOYSA-N 2 1 298.430 3.864 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c2ccccc21 ZINC000246556047 1125645399 /nfs/dbraw/zinc/64/53/99/1125645399.db2.gz WWORSJKFUUTNEC-FJWRHQQOSA-N 2 1 286.463 3.943 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCSc3ccccc32)C1 ZINC000246966735 1125651887 /nfs/dbraw/zinc/65/18/87/1125651887.db2.gz IWIUELCGVBFJMW-ZBFHGGJFSA-N 2 1 290.476 3.545 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000886119164 1125652929 /nfs/dbraw/zinc/65/29/29/1125652929.db2.gz ZLNKNJWXBSGJAX-IRXDYDNUSA-N 2 1 296.499 3.578 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000886119164 1125652931 /nfs/dbraw/zinc/65/29/31/1125652931.db2.gz ZLNKNJWXBSGJAX-IRXDYDNUSA-N 2 1 296.499 3.578 20 0 CHADMP CC[C@@H]1c2ccsc2CCN1CC[C@H]1CCC[N@H+]1C ZINC000247329635 1125656634 /nfs/dbraw/zinc/65/66/34/1125656634.db2.gz USKOMTPNBBBKMI-UKRRQHHQSA-N 2 1 278.465 3.542 20 0 CHADMP CC[C@@H]1c2ccsc2CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000247329635 1125656638 /nfs/dbraw/zinc/65/66/38/1125656638.db2.gz USKOMTPNBBBKMI-UKRRQHHQSA-N 2 1 278.465 3.542 20 0 CHADMP CC[C@@H]1c2ccsc2CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000247329635 1125656651 /nfs/dbraw/zinc/65/66/51/1125656651.db2.gz USKOMTPNBBBKMI-UKRRQHHQSA-N 2 1 278.465 3.542 20 0 CHADMP CCSc1cccc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000248723245 1125674839 /nfs/dbraw/zinc/67/48/39/1125674839.db2.gz OUADMEQOEQFVEZ-GOEBONIOSA-N 2 1 292.492 3.713 20 0 CHADMP CCSc1cccc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000248723245 1125674843 /nfs/dbraw/zinc/67/48/43/1125674843.db2.gz OUADMEQOEQFVEZ-GOEBONIOSA-N 2 1 292.492 3.713 20 0 CHADMP CCSc1cccc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000248723245 1125674845 /nfs/dbraw/zinc/67/48/45/1125674845.db2.gz OUADMEQOEQFVEZ-GOEBONIOSA-N 2 1 292.492 3.713 20 0 CHADMP CCSc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000248723245 1125674848 /nfs/dbraw/zinc/67/48/48/1125674848.db2.gz OUADMEQOEQFVEZ-GOEBONIOSA-N 2 1 292.492 3.713 20 0 CHADMP CCSc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000248723245 1125674850 /nfs/dbraw/zinc/67/48/50/1125674850.db2.gz OUADMEQOEQFVEZ-GOEBONIOSA-N 2 1 292.492 3.713 20 0 CHADMP CCSc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000248723245 1125674852 /nfs/dbraw/zinc/67/48/52/1125674852.db2.gz OUADMEQOEQFVEZ-GOEBONIOSA-N 2 1 292.492 3.713 20 0 CHADMP CCSc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000248723245 1125674854 /nfs/dbraw/zinc/67/48/54/1125674854.db2.gz OUADMEQOEQFVEZ-GOEBONIOSA-N 2 1 292.492 3.713 20 0 CHADMP Cc1[nH]c(C2CC[NH+](CC3CC(C)(C)C3)CC2)[nH+]c1C ZINC000886659332 1125704097 /nfs/dbraw/zinc/70/40/97/1125704097.db2.gz KHIIYWYTPQIIKL-UHFFFAOYSA-N 2 1 275.440 3.642 20 0 CHADMP c1ccc([C@@H]2C[N@H+](CC3CC[NH2+]CC3)[C@H]3CCCC[C@@H]23)cc1 ZINC000261918467 1125747908 /nfs/dbraw/zinc/74/79/08/1125747908.db2.gz KDWUDZOZTYNOHU-UFYCRDLUSA-N 2 1 298.474 3.644 20 0 CHADMP C[N@@H+](C[C@@]1(C)CC[NH2+]C1)C1c2ccccc2-c2ccccc21 ZINC000261946428 1125748272 /nfs/dbraw/zinc/74/82/72/1125748272.db2.gz FJCPPHWJPKMQIP-FQEVSTJZSA-N 2 1 292.426 3.688 20 0 CHADMP c1cc2c(cccc2C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)[nH]1 ZINC000093564168 1125770635 /nfs/dbraw/zinc/77/06/35/1125770635.db2.gz GFGSYLXIRWCORS-QGZVFWFLSA-N 2 1 297.446 3.618 20 0 CHADMP C[C@H]([NH2+]CC1(C2CC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508691193 1125774298 /nfs/dbraw/zinc/77/42/98/1125774298.db2.gz MBBUVEUQXSICLS-FUHWJXTLSA-N 2 1 298.474 3.677 20 0 CHADMP C[C@H]([NH2+]CC1CC(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000621738402 1129188478 /nfs/dbraw/zinc/18/84/78/1129188478.db2.gz FVIXSYPALLGFJY-DHRZBBNESA-N 2 1 286.463 3.533 20 0 CHADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253194829 1129621443 /nfs/dbraw/zinc/62/14/43/1129621443.db2.gz QUESQWWBKTYQLW-XNRPHZJLSA-N 2 1 280.843 3.708 20 0 CHADMP CC(C)CC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903056415 1130106361 /nfs/dbraw/zinc/10/63/61/1130106361.db2.gz UJYRTIXTILFHRB-YTTRVJOFSA-N 2 1 264.457 3.559 20 0 CHADMP CC(C)CCC[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001170067744 1130130489 /nfs/dbraw/zinc/13/04/89/1130130489.db2.gz CEUNMYUCVGUSDY-NXOAAHMSSA-N 2 1 266.473 3.806 20 0 CHADMP CC(C)CCC[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001170067744 1130130492 /nfs/dbraw/zinc/13/04/92/1130130492.db2.gz CEUNMYUCVGUSDY-NXOAAHMSSA-N 2 1 266.473 3.806 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cc2ccc(C)cc2o1 ZINC000338008874 1126709151 /nfs/dbraw/zinc/70/91/51/1126709151.db2.gz BQVTWDYQXSNINC-AWEZNQCLSA-N 2 1 297.402 3.987 20 0 CHADMP Cc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2C)C2CCC2)o1 ZINC000338016008 1126710836 /nfs/dbraw/zinc/71/08/36/1126710836.db2.gz YOYSVSHUGITIKN-QGZVFWFLSA-N 2 1 287.407 3.614 20 0 CHADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(-c2ccccc2)o1 ZINC000481955691 1126735321 /nfs/dbraw/zinc/73/53/21/1126735321.db2.gz WXFCLZTXXPWFSU-HUUCEWRRSA-N 2 1 286.419 3.937 20 0 CHADMP CC1=C(c2ccco2)C[N@H+](CCC[NH+]2CCCCC2)CC1 ZINC000338349490 1126736991 /nfs/dbraw/zinc/73/69/91/1126736991.db2.gz NGXXHPXCGXSIBS-UHFFFAOYSA-N 2 1 288.435 3.635 20 0 CHADMP CC1=C(c2ccco2)C[N@@H+](CCC[NH+]2CCCCC2)CC1 ZINC000338349490 1126736993 /nfs/dbraw/zinc/73/69/93/1126736993.db2.gz NGXXHPXCGXSIBS-UHFFFAOYSA-N 2 1 288.435 3.635 20 0 CHADMP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1C ZINC000482330898 1126751286 /nfs/dbraw/zinc/75/12/86/1126751286.db2.gz JCTTXEGTVKHEGL-UGSOOPFHSA-N 2 1 299.462 3.523 20 0 CHADMP CCc1ccc([C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)o1 ZINC000483158468 1126770506 /nfs/dbraw/zinc/77/05/06/1126770506.db2.gz UQGDJDWUOSDTHO-XJKSGUPXSA-N 2 1 280.456 3.859 20 0 CHADMP C[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000483135683 1126769375 /nfs/dbraw/zinc/76/93/75/1126769375.db2.gz GKNYMUPTEFATOJ-ZHCJQAHYSA-N 2 1 266.473 3.521 20 0 CHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](C(C)(C)C)C1 ZINC000483256945 1126776185 /nfs/dbraw/zinc/77/61/85/1126776185.db2.gz GGHYSGSENWQTBH-HOTGVXAUSA-N 2 1 266.473 3.619 20 0 CHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000483256945 1126776189 /nfs/dbraw/zinc/77/61/89/1126776189.db2.gz GGHYSGSENWQTBH-HOTGVXAUSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cc[nH]c3)cc2)C1 ZINC000175697763 1126784680 /nfs/dbraw/zinc/78/46/80/1126784680.db2.gz ZWXZFAKEKRIKED-MRXNPFEDSA-N 2 1 297.446 3.536 20 0 CHADMP CC[C@@H]1C[N@H+]([C@@H](C)c2ccc3ccccc3c2)CC[C@H]1[NH3+] ZINC000251855811 1126797505 /nfs/dbraw/zinc/79/75/05/1126797505.db2.gz SGFIATYFLGOKKH-QMTMVMCOSA-N 2 1 282.431 3.960 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CC1 ZINC000483739562 1126799555 /nfs/dbraw/zinc/79/95/55/1126799555.db2.gz DBXBEXYSNHSSBV-HLLBOEOZSA-N 2 1 292.492 3.909 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CC1 ZINC000483739562 1126799559 /nfs/dbraw/zinc/79/95/59/1126799559.db2.gz DBXBEXYSNHSSBV-HLLBOEOZSA-N 2 1 292.492 3.909 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccccc1Cl ZINC000177295587 1126799981 /nfs/dbraw/zinc/79/99/81/1126799981.db2.gz AUPJUFILTWKQDD-QWHCGFSZSA-N 2 1 291.826 3.832 20 0 CHADMP CC[C@@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000177819177 1126805842 /nfs/dbraw/zinc/80/58/42/1126805842.db2.gz KNRFFKASCPMWMV-BQFCYCMXSA-N 2 1 274.452 3.500 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C2CC2)cc1 ZINC000178366179 1126812103 /nfs/dbraw/zinc/81/21/03/1126812103.db2.gz WZULGMGWBKQQFZ-QWHCGFSZSA-N 2 1 269.392 3.630 20 0 CHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cncs1 ZINC000484287752 1126814344 /nfs/dbraw/zinc/81/43/44/1126814344.db2.gz HAAVTSQMRQVCDW-ILXRZTDVSA-N 2 1 295.496 3.694 20 0 CHADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000484357932 1126814806 /nfs/dbraw/zinc/81/48/06/1126814806.db2.gz QSVARUNKHINYFO-CABCVRRESA-N 2 1 286.419 3.876 20 0 CHADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000484357932 1126814809 /nfs/dbraw/zinc/81/48/09/1126814809.db2.gz QSVARUNKHINYFO-CABCVRRESA-N 2 1 286.419 3.876 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000178701960 1126818992 /nfs/dbraw/zinc/81/89/92/1126818992.db2.gz YVOGGFTXRLNRLT-CHWSQXEVSA-N 2 1 291.826 3.832 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000904306697 1126844127 /nfs/dbraw/zinc/84/41/27/1126844127.db2.gz CZCNTXGZXLNOEH-UPJWGTAASA-N 2 1 278.827 3.603 20 0 CHADMP CCC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H](CC)c1ccccc1 ZINC000904310292 1126844436 /nfs/dbraw/zinc/84/44/36/1126844436.db2.gz ZIINNVYWJJBUQA-UAGQMJEPSA-N 2 1 260.425 3.587 20 0 CHADMP [NH3+][C@H](C[NH2+][C@H]1CCC[C@@H](c2ccccc2)CC1)CC(F)F ZINC000904470627 1126853207 /nfs/dbraw/zinc/85/32/07/1126853207.db2.gz ZQLVPMZIDWGMPM-PMPSAXMXSA-N 2 1 296.405 3.675 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252414140 1126853586 /nfs/dbraw/zinc/85/35/86/1126853586.db2.gz HBFQPUXTLRDIPE-JKIFEVAISA-N 2 1 292.854 3.865 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252414140 1126853588 /nfs/dbraw/zinc/85/35/88/1126853588.db2.gz HBFQPUXTLRDIPE-JKIFEVAISA-N 2 1 292.854 3.865 20 0 CHADMP C[C@H]([NH2+]C[C@H]([NH3+])CC(F)F)c1csc2ccccc21 ZINC000904483678 1126854437 /nfs/dbraw/zinc/85/44/37/1126854437.db2.gz LKJYPBMGVGFSPN-VHSXEESVSA-N 2 1 284.375 3.534 20 0 CHADMP Cc1cc[nH+]c(N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000182638284 1126874390 /nfs/dbraw/zinc/87/43/90/1126874390.db2.gz KIFVJZYIONBMQO-OAHLLOKOSA-N 2 1 299.418 3.504 20 0 CHADMP Cc1cc[nH+]c(N[C@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000182636186 1126875152 /nfs/dbraw/zinc/87/51/52/1126875152.db2.gz WCTAHXIVSXVSGI-OAHLLOKOSA-N 2 1 299.418 3.504 20 0 CHADMP c1ccc(C[C@@H]2CC[C@@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000189048793 1126927905 /nfs/dbraw/zinc/92/79/05/1126927905.db2.gz WWCLITQMCIRGLJ-MTQWCTHYSA-N 2 1 298.474 3.614 20 0 CHADMP C[C@H](CC[NH2+]Cc1cc(F)cc(Cl)c1)[NH+]1CCCCC1 ZINC000485701442 1126945425 /nfs/dbraw/zinc/94/54/25/1126945425.db2.gz KHKJQELQLSZIOS-CYBMUJFWSA-N 2 1 298.833 3.833 20 0 CHADMP Cc1nccn1CCC[N@H+](C)Cc1cccc(Cl)c1F ZINC000190999498 1126946243 /nfs/dbraw/zinc/94/62/43/1126946243.db2.gz BNCKSKHUCGIDAI-UHFFFAOYSA-N 2 1 295.789 3.506 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(Cl)c1F ZINC000190999498 1126946248 /nfs/dbraw/zinc/94/62/48/1126946248.db2.gz BNCKSKHUCGIDAI-UHFFFAOYSA-N 2 1 295.789 3.506 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cccc(O)c1 ZINC000194852259 1126976728 /nfs/dbraw/zinc/97/67/28/1126976728.db2.gz CSYMXYBUBUBLAC-HOTGVXAUSA-N 2 1 290.451 3.555 20 0 CHADMP Cc1[nH+]ccn1CCCCCCCCn1cc[nH+]c1C ZINC000267174617 1126993838 /nfs/dbraw/zinc/99/38/38/1126993838.db2.gz WCVZCJQGIGMLPJ-UHFFFAOYSA-N 2 1 274.412 3.737 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CC1(C)C ZINC000486950111 1127010863 /nfs/dbraw/zinc/01/08/63/1127010863.db2.gz KNWFOFCPJQPKQW-OAGGEKHMSA-N 2 1 266.473 3.523 20 0 CHADMP Cc1cccnc1[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)C(C)C ZINC000268098211 1127011470 /nfs/dbraw/zinc/01/14/70/1127011470.db2.gz KDRVOOSMYALLOP-IAGOWNOFSA-N 2 1 289.467 3.551 20 0 CHADMP Cc1cccnc1[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)C(C)C ZINC000268098211 1127011472 /nfs/dbraw/zinc/01/14/72/1127011472.db2.gz KDRVOOSMYALLOP-IAGOWNOFSA-N 2 1 289.467 3.551 20 0 CHADMP CC/C=C\CCCCCC[N@@H+]1CCC[C@@H]1C[NH2+]C ZINC001236421272 1130935979 /nfs/dbraw/zinc/93/59/79/1130935979.db2.gz STPIXPMZMYKRPU-YIEVGGLXSA-N 2 1 252.446 3.587 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000268866591 1127026405 /nfs/dbraw/zinc/02/64/05/1127026405.db2.gz NWPIFAXJHPBSFV-OALUTQOASA-N 2 1 297.446 3.583 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CCC[C@@H]1C[NH2+]C ZINC001236421272 1130935984 /nfs/dbraw/zinc/93/59/84/1130935984.db2.gz STPIXPMZMYKRPU-YIEVGGLXSA-N 2 1 252.446 3.587 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@@H]2CC2(C)C)c1 ZINC000487307417 1127031557 /nfs/dbraw/zinc/03/15/57/1127031557.db2.gz GEXZYYPIRHIIPW-PBHICJAKSA-N 2 1 274.452 3.663 20 0 CHADMP C([NH2+]C1CC2(C1)CCCCC2)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668817879 1127053019 /nfs/dbraw/zinc/05/30/19/1127053019.db2.gz BLCPNZIWEUINFR-QGZVFWFLSA-N 2 1 290.495 3.811 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](Cc1cccs1)C(C)C ZINC000270585668 1127057318 /nfs/dbraw/zinc/05/73/18/1127057318.db2.gz DGHDRTUDSDTFLE-UHFFFAOYSA-N 2 1 277.437 3.554 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1cccs1)C(C)C ZINC000270585668 1127057325 /nfs/dbraw/zinc/05/73/25/1127057325.db2.gz DGHDRTUDSDTFLE-UHFFFAOYSA-N 2 1 277.437 3.554 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C ZINC000270617925 1127058827 /nfs/dbraw/zinc/05/88/27/1127058827.db2.gz CSJKNNXHOMHDLA-MRXNPFEDSA-N 2 1 289.398 3.708 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000270655508 1127059199 /nfs/dbraw/zinc/05/91/99/1127059199.db2.gz NBYFMFBOVXUXQY-SUMWQHHRSA-N 2 1 299.418 3.573 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000270655508 1127059202 /nfs/dbraw/zinc/05/92/02/1127059202.db2.gz NBYFMFBOVXUXQY-SUMWQHHRSA-N 2 1 299.418 3.573 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(C)C ZINC000165322150 1129214477 /nfs/dbraw/zinc/21/44/77/1129214477.db2.gz KPPGEGUESRUZFD-OALUTQOASA-N 2 1 288.479 3.575 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC=CCC1 ZINC000271435468 1127080920 /nfs/dbraw/zinc/08/09/20/1127080920.db2.gz CNCRRIXRMCOWTA-BHIYHBOVSA-N 2 1 284.447 3.595 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC=CCC1 ZINC000271435468 1127080921 /nfs/dbraw/zinc/08/09/21/1127080921.db2.gz CNCRRIXRMCOWTA-BHIYHBOVSA-N 2 1 284.447 3.595 20 0 CHADMP Cc1ccncc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000271463757 1127083487 /nfs/dbraw/zinc/08/34/87/1127083487.db2.gz QCKCUETUVYPKAL-DOTOQJQBSA-N 2 1 289.467 3.553 20 0 CHADMP CC[C@H]1CCC[C@H](C[N@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000349408319 1127149936 /nfs/dbraw/zinc/14/99/36/1127149936.db2.gz PFOAGSXIGQCZCW-IRXDYDNUSA-N 2 1 277.456 3.730 20 0 CHADMP CC[C@H]1CCC[C@H](C[N@@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000349408319 1127149938 /nfs/dbraw/zinc/14/99/38/1127149938.db2.gz PFOAGSXIGQCZCW-IRXDYDNUSA-N 2 1 277.456 3.730 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c(C)oc2ccccc21 ZINC000349409636 1127150453 /nfs/dbraw/zinc/15/04/53/1127150453.db2.gz SCLWYOIKWDZLSR-UHFFFAOYSA-N 2 1 297.402 3.768 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c(C)oc2ccccc21 ZINC000349409636 1127150455 /nfs/dbraw/zinc/15/04/55/1127150455.db2.gz SCLWYOIKWDZLSR-UHFFFAOYSA-N 2 1 297.402 3.768 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC[C@@H](C)F)C2)s1 ZINC000570971002 1127151098 /nfs/dbraw/zinc/15/10/98/1127151098.db2.gz XKRYHJGFPFGIBI-HIFRSBDPSA-N 2 1 298.471 3.558 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC[C@@H](C)F)C2)s1 ZINC000570971002 1127151102 /nfs/dbraw/zinc/15/11/02/1127151102.db2.gz XKRYHJGFPFGIBI-HIFRSBDPSA-N 2 1 298.471 3.558 20 0 CHADMP C/C(=C/c1ccccc1)C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000588177138 1127180026 /nfs/dbraw/zinc/18/00/26/1127180026.db2.gz NCVNORYJZITLFX-SOBQPUOHSA-N 2 1 286.463 3.944 20 0 CHADMP Cc1ccc(C[N@H+](C)C2CC[NH+](CC3CC3)CC2)cc1C ZINC001168389092 1127218506 /nfs/dbraw/zinc/21/85/06/1127218506.db2.gz JYQSITXQMFFECY-UHFFFAOYSA-N 2 1 286.463 3.610 20 0 CHADMP Cc1ccnc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000285464730 1127230312 /nfs/dbraw/zinc/23/03/12/1127230312.db2.gz AJVHAGSIKVJGHB-IAGOWNOFSA-N 2 1 289.467 3.553 20 0 CHADMP CCc1oc2ccccc2c1CN1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000352932468 1127251907 /nfs/dbraw/zinc/25/19/07/1127251907.db2.gz PWWCSUZLTDKDGO-WMLDXEAASA-N 2 1 298.430 3.521 20 0 CHADMP CCc1oc2ccccc2c1CN1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000352932468 1127251909 /nfs/dbraw/zinc/25/19/09/1127251909.db2.gz PWWCSUZLTDKDGO-WMLDXEAASA-N 2 1 298.430 3.521 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000590818900 1127274960 /nfs/dbraw/zinc/27/49/60/1127274960.db2.gz HGVMYEMZVZDBJX-JXMROGBWSA-N 2 1 286.463 3.752 20 0 CHADMP Cc1nccn1CCC[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000286730277 1127272585 /nfs/dbraw/zinc/27/25/85/1127272585.db2.gz HCZJNXQSQLMTDB-HNNXBMFYSA-N 2 1 289.448 3.726 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000286730277 1127272592 /nfs/dbraw/zinc/27/25/92/1127272592.db2.gz HCZJNXQSQLMTDB-HNNXBMFYSA-N 2 1 289.448 3.726 20 0 CHADMP CCCc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000591701357 1127313677 /nfs/dbraw/zinc/31/36/77/1127313677.db2.gz PNUZMRAYDVUWTM-OAHLLOKOSA-N 2 1 285.435 3.570 20 0 CHADMP CC[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(OC)cc1 ZINC000356871064 1127386029 /nfs/dbraw/zinc/38/60/29/1127386029.db2.gz IYTQQEBDDBOYKL-SJLPKXTDSA-N 2 1 290.451 3.610 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(CC)o1 ZINC000290625238 1127392038 /nfs/dbraw/zinc/39/20/38/1127392038.db2.gz XOBCFQIMBHPRPO-UHFFFAOYSA-N 2 1 289.423 3.513 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(CC)o1 ZINC000290625238 1127392043 /nfs/dbraw/zinc/39/20/43/1127392043.db2.gz XOBCFQIMBHPRPO-UHFFFAOYSA-N 2 1 289.423 3.513 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000359629770 1127471027 /nfs/dbraw/zinc/47/10/27/1127471027.db2.gz GKDFFOWRMJYSAH-OAHLLOKOSA-N 2 1 296.455 3.683 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000359629770 1127471029 /nfs/dbraw/zinc/47/10/29/1127471029.db2.gz GKDFFOWRMJYSAH-OAHLLOKOSA-N 2 1 296.455 3.683 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]CC[C@H](C)c1ccccc1 ZINC001308797940 1127485469 /nfs/dbraw/zinc/48/54/69/1127485469.db2.gz MDJZNORHCZAWKG-DLBZAZTESA-N 2 1 276.468 3.890 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]CC[C@H](C)c1ccccc1 ZINC001308797940 1127485471 /nfs/dbraw/zinc/48/54/71/1127485471.db2.gz MDJZNORHCZAWKG-DLBZAZTESA-N 2 1 276.468 3.890 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000360328334 1127495980 /nfs/dbraw/zinc/49/59/80/1127495980.db2.gz FPRTULICLSEWOK-MOPGFXCFSA-N 2 1 297.446 3.583 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@H](c3ccccc3F)C2)CC1 ZINC000360919202 1127520054 /nfs/dbraw/zinc/52/00/54/1127520054.db2.gz LWKJTOZVGLCNJB-HOCLYGCPSA-N 2 1 290.426 3.536 20 0 CHADMP CC(C)=CCC[C@H](C)CC[NH2+]CCn1cc[nH+]c1C ZINC000361007553 1127529119 /nfs/dbraw/zinc/52/91/19/1127529119.db2.gz GRTZSOUFMMQFNK-HNNXBMFYSA-N 2 1 263.429 3.554 20 0 CHADMP C[C@H](CC1CCCC1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001308869254 1127529743 /nfs/dbraw/zinc/52/97/43/1127529743.db2.gz NBBHRUKNJPQMER-NVXWUHKLSA-N 2 1 278.484 3.952 20 0 CHADMP C[C@H](CC1CCCC1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001308869254 1127529745 /nfs/dbraw/zinc/52/97/45/1127529745.db2.gz NBBHRUKNJPQMER-NVXWUHKLSA-N 2 1 278.484 3.952 20 0 CHADMP C[C@@H](CC1CCCC1)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001308869255 1127530195 /nfs/dbraw/zinc/53/01/95/1127530195.db2.gz NBBHRUKNJPQMER-RDJZCZTQSA-N 2 1 278.484 3.952 20 0 CHADMP C[C@@H](CC1CCCC1)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001308869255 1127530196 /nfs/dbraw/zinc/53/01/96/1127530196.db2.gz NBBHRUKNJPQMER-RDJZCZTQSA-N 2 1 278.484 3.952 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OC)cc1 ZINC000361766031 1127587405 /nfs/dbraw/zinc/58/74/05/1127587405.db2.gz RAHAJJDVXQQMNO-KYJSFNMBSA-N 2 1 290.451 3.609 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OC)cc1 ZINC000361766031 1127587407 /nfs/dbraw/zinc/58/74/07/1127587407.db2.gz RAHAJJDVXQQMNO-KYJSFNMBSA-N 2 1 290.451 3.609 20 0 CHADMP Cc1cc(C)cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000296116481 1129220983 /nfs/dbraw/zinc/22/09/83/1129220983.db2.gz ZURQRURSHZPYQE-MIGBEJBISA-N 2 1 272.436 3.579 20 0 CHADMP Cc1cnccc1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000296367950 1127670274 /nfs/dbraw/zinc/67/02/74/1127670274.db2.gz JVARXYGGUKCJIE-UHFFFAOYSA-N 2 1 297.446 3.520 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)c2ccccc2)CC1 ZINC000604884608 1127720245 /nfs/dbraw/zinc/72/02/45/1127720245.db2.gz UTRWQFYNJJFVRE-QGZVFWFLSA-N 2 1 288.479 3.842 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+](CCC2CCCC2)CC1 ZINC000607729363 1127820628 /nfs/dbraw/zinc/82/06/28/1127820628.db2.gz VNGATTGNIIMEOW-UHFFFAOYSA-N 2 1 266.473 3.619 20 0 CHADMP C[N@H+](Cc1ccoc1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411195299 1127846701 /nfs/dbraw/zinc/84/67/01/1127846701.db2.gz WEKLIWDRPRWQPO-UHFFFAOYSA-N 2 1 298.430 3.898 20 0 CHADMP C[N@@H+](Cc1ccoc1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411195299 1127846705 /nfs/dbraw/zinc/84/67/05/1127846705.db2.gz WEKLIWDRPRWQPO-UHFFFAOYSA-N 2 1 298.430 3.898 20 0 CHADMP CC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccs1 ZINC000373524613 1127848220 /nfs/dbraw/zinc/84/82/20/1127848220.db2.gz TXHYGGYOZWPWHD-NRXISQOPSA-N 2 1 278.465 3.806 20 0 CHADMP CC[NH+](CC)C1CC[NH+](C[C@H](C)c2ccccc2)CC1 ZINC000116879160 1127860076 /nfs/dbraw/zinc/86/00/76/1127860076.db2.gz DODPAZFBGPANNU-INIZCTEOSA-N 2 1 274.452 3.596 20 0 CHADMP CC(C)c1cccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000659983574 1127875685 /nfs/dbraw/zinc/87/56/85/1127875685.db2.gz QEENIPRJJALHIS-QAPCUYQASA-N 2 1 274.452 3.725 20 0 CHADMP CC(C)c1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000659983574 1127875689 /nfs/dbraw/zinc/87/56/89/1127875689.db2.gz QEENIPRJJALHIS-QAPCUYQASA-N 2 1 274.452 3.725 20 0 CHADMP CC(C)c1cccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000659983574 1127875692 /nfs/dbraw/zinc/87/56/92/1127875692.db2.gz QEENIPRJJALHIS-QAPCUYQASA-N 2 1 274.452 3.725 20 0 CHADMP CC(C)c1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000659983574 1127875697 /nfs/dbraw/zinc/87/56/97/1127875697.db2.gz QEENIPRJJALHIS-QAPCUYQASA-N 2 1 274.452 3.725 20 0 CHADMP CCCc1[nH+]ccn1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000413000605 1127937766 /nfs/dbraw/zinc/93/77/66/1127937766.db2.gz OAEAJGHOBRUZAY-UHFFFAOYSA-N 2 1 297.446 3.870 20 0 CHADMP CC[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000539822864 1127943168 /nfs/dbraw/zinc/94/31/68/1127943168.db2.gz VIRNJVKVGDSMFG-JZXOWHBKSA-N 2 1 274.452 3.595 20 0 CHADMP CC[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000539822864 1127943170 /nfs/dbraw/zinc/94/31/70/1127943170.db2.gz VIRNJVKVGDSMFG-JZXOWHBKSA-N 2 1 274.452 3.595 20 0 CHADMP CC[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000539822864 1127943171 /nfs/dbraw/zinc/94/31/71/1127943171.db2.gz VIRNJVKVGDSMFG-JZXOWHBKSA-N 2 1 274.452 3.595 20 0 CHADMP CC[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000539822864 1127943174 /nfs/dbraw/zinc/94/31/74/1127943174.db2.gz VIRNJVKVGDSMFG-JZXOWHBKSA-N 2 1 274.452 3.595 20 0 CHADMP CC[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC(C)(C)C ZINC000539862577 1127949341 /nfs/dbraw/zinc/94/93/41/1127949341.db2.gz DIRVDSKDBWVWLJ-SFHVURJKSA-N 2 1 288.479 3.877 20 0 CHADMP CC[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(C)(C)C ZINC000539862577 1127949342 /nfs/dbraw/zinc/94/93/42/1127949342.db2.gz DIRVDSKDBWVWLJ-SFHVURJKSA-N 2 1 288.479 3.877 20 0 CHADMP CC[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(C)(C)C ZINC000539862577 1127949345 /nfs/dbraw/zinc/94/93/45/1127949345.db2.gz DIRVDSKDBWVWLJ-SFHVURJKSA-N 2 1 288.479 3.877 20 0 CHADMP C(C1CCCCCC1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000539897546 1127951838 /nfs/dbraw/zinc/95/18/38/1127951838.db2.gz BWJHIDYWMPAIGO-PKOBYXMFSA-N 2 1 290.495 3.906 20 0 CHADMP C(C1CCCCCC1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000539897543 1127952396 /nfs/dbraw/zinc/95/23/96/1127952396.db2.gz BWJHIDYWMPAIGO-HKUYNNGSSA-N 2 1 290.495 3.906 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC[C@H](C)C2)C[C@@H]1C ZINC000540052739 1127958828 /nfs/dbraw/zinc/95/88/28/1127958828.db2.gz PAIGBQAKUYMWTR-NXOAAHMSSA-N 2 1 266.473 3.617 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000467238343 1127961196 /nfs/dbraw/zinc/96/11/96/1127961196.db2.gz MFDNUJBASFDWCF-OALUTQOASA-N 2 1 286.463 3.568 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000467238343 1127961199 /nfs/dbraw/zinc/96/11/99/1127961199.db2.gz MFDNUJBASFDWCF-OALUTQOASA-N 2 1 286.463 3.568 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000467238343 1127961202 /nfs/dbraw/zinc/96/12/02/1127961202.db2.gz MFDNUJBASFDWCF-OALUTQOASA-N 2 1 286.463 3.568 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C2CCCC2)[C@@H](C)C1 ZINC000540143951 1127962504 /nfs/dbraw/zinc/96/25/04/1127962504.db2.gz KCGIASRHIILFEU-GOEBONIOSA-N 2 1 266.473 3.523 20 0 CHADMP Cc1ccc([C@@H]2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)cc1 ZINC000544190660 1127962914 /nfs/dbraw/zinc/96/29/14/1127962914.db2.gz QTZUZFCIGZCZLB-MOPGFXCFSA-N 2 1 286.463 3.659 20 0 CHADMP Cc1ccc([C@@H]2CC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)cc1 ZINC000544190660 1127962915 /nfs/dbraw/zinc/96/29/15/1127962915.db2.gz QTZUZFCIGZCZLB-MOPGFXCFSA-N 2 1 286.463 3.659 20 0 CHADMP Cc1ccc([C@@H]2CC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)cc1 ZINC000544190660 1127962916 /nfs/dbraw/zinc/96/29/16/1127962916.db2.gz QTZUZFCIGZCZLB-MOPGFXCFSA-N 2 1 286.463 3.659 20 0 CHADMP COc1ccc([C@@H]([NH2+]CCC[N@@H+](C)C(C)C)C(C)C)cc1 ZINC000540259562 1127971859 /nfs/dbraw/zinc/97/18/59/1127971859.db2.gz RJUOOTMAZGTEOR-SFHVURJKSA-N 2 1 292.467 3.712 20 0 CHADMP CCC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000540606394 1127985815 /nfs/dbraw/zinc/98/58/15/1127985815.db2.gz GZIWGMYFBBOGPA-JQHSSLGASA-N 2 1 274.452 3.643 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](CC(C)C)C2)C1 ZINC000300308698 1127998249 /nfs/dbraw/zinc/99/82/49/1127998249.db2.gz KQHOHIFLLAOTSL-BBWFWOEESA-N 2 1 266.473 3.523 20 0 CHADMP CCCC[C@H](CCC)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300409659 1128000220 /nfs/dbraw/zinc/00/02/20/1128000220.db2.gz BHKFMHSGXPIIIX-XHSDSOJGSA-N 2 1 252.446 3.562 20 0 CHADMP CCC1CCC(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000468961931 1128030272 /nfs/dbraw/zinc/03/02/72/1128030272.db2.gz MCJQTXZZSIQFAD-RDHHWEPZSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@@H](CCC1CC1)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000469777952 1128053885 /nfs/dbraw/zinc/05/38/85/1128053885.db2.gz ZMIJKKCLDCJTRR-HOTGVXAUSA-N 2 1 266.473 3.809 20 0 CHADMP Cc1ccccc1[C@H](C(C)C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000469971095 1128060262 /nfs/dbraw/zinc/06/02/62/1128060262.db2.gz FDLBOSAXBUCGKW-SFHVURJKSA-N 2 1 274.452 3.624 20 0 CHADMP CCC[C@@H](C[N@H+]1CCC[C@@H](C[NH2+]C)C1)c1ccccc1 ZINC000470000659 1128061709 /nfs/dbraw/zinc/06/17/09/1128061709.db2.gz UDJBBMPAARLHCF-WMZOPIPTSA-N 2 1 274.452 3.502 20 0 CHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000470363841 1128070095 /nfs/dbraw/zinc/07/00/95/1128070095.db2.gz QPOAOAXFQAVGGU-IOASZLSFSA-N 2 1 280.843 3.516 20 0 CHADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470958929 1128084511 /nfs/dbraw/zinc/08/45/11/1128084511.db2.gz LXFYLSXUFZWCFY-PKOBYXMFSA-N 2 1 286.463 3.801 20 0 CHADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470958929 1128084513 /nfs/dbraw/zinc/08/45/13/1128084513.db2.gz LXFYLSXUFZWCFY-PKOBYXMFSA-N 2 1 286.463 3.801 20 0 CHADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470958929 1128084518 /nfs/dbraw/zinc/08/45/18/1128084518.db2.gz LXFYLSXUFZWCFY-PKOBYXMFSA-N 2 1 286.463 3.801 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](C)c2c(C)oc3ccccc32)CC1 ZINC000924569040 1128105660 /nfs/dbraw/zinc/10/56/60/1128105660.db2.gz FUOQRBLNUBLXLI-CYBMUJFWSA-N 2 1 286.419 3.876 20 0 CHADMP C[C@H]1C[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000924952700 1128117346 /nfs/dbraw/zinc/11/73/46/1128117346.db2.gz YTLDDSAZDXJLBI-BYUNMRKYSA-N 2 1 284.447 3.570 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000252155305 1128120785 /nfs/dbraw/zinc/12/07/85/1128120785.db2.gz NDWCCSVFXITPQB-HOTGVXAUSA-N 2 1 266.473 3.809 20 0 CHADMP CCC[C@H](CC)[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001257265395 1128124525 /nfs/dbraw/zinc/12/45/25/1128124525.db2.gz DKUKURJLVAMKOM-YESZJQIVSA-N 2 1 266.473 3.904 20 0 CHADMP CCC[C@H](CC)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001257265395 1128124526 /nfs/dbraw/zinc/12/45/26/1128124526.db2.gz DKUKURJLVAMKOM-YESZJQIVSA-N 2 1 266.473 3.904 20 0 CHADMP CCC[C@H](CC)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001257265395 1128124527 /nfs/dbraw/zinc/12/45/27/1128124527.db2.gz DKUKURJLVAMKOM-YESZJQIVSA-N 2 1 266.473 3.904 20 0 CHADMP CSC1CCC(C[NH2+][C@@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000925802287 1128142406 /nfs/dbraw/zinc/14/24/06/1128142406.db2.gz KYKJLPHWOKLZGS-RKHAHWSXSA-N 2 1 292.492 3.586 20 0 CHADMP CSC1CCC(C[NH2+][C@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000925802285 1128142434 /nfs/dbraw/zinc/14/24/34/1128142434.db2.gz KYKJLPHWOKLZGS-DXCHVLGVSA-N 2 1 292.492 3.586 20 0 CHADMP C[C@H]([NH2+]C1CC2(C1)CCCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000926119910 1128156015 /nfs/dbraw/zinc/15/60/15/1128156015.db2.gz SHPSEFMUZOCBNK-HOTGVXAUSA-N 2 1 290.495 3.952 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)C2CCCCCC2)C1 ZINC000542476771 1128162654 /nfs/dbraw/zinc/16/26/54/1128162654.db2.gz CCKWKVMHEGCAJF-CVEARBPZSA-N 2 1 266.473 3.667 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C2CCCCCC2)C1 ZINC000542476772 1128162698 /nfs/dbraw/zinc/16/26/98/1128162698.db2.gz CCKWKVMHEGCAJF-HOTGVXAUSA-N 2 1 266.473 3.667 20 0 CHADMP CC(C)C(C(C)C)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000926539689 1128179422 /nfs/dbraw/zinc/17/94/22/1128179422.db2.gz GXMCCIFNUXPPAR-HNSVSWJLSA-N 2 1 266.473 3.518 20 0 CHADMP C[C@H](Cc1cccc(F)c1)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001168473320 1128208438 /nfs/dbraw/zinc/20/84/38/1128208438.db2.gz CNKKYABTYDWRCT-CVEARBPZSA-N 2 1 292.442 3.598 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCC(F)(F)C2)[C@@H](C)C1 ZINC000495001056 1128222088 /nfs/dbraw/zinc/22/20/88/1128222088.db2.gz VYQZAOMFHFQJEQ-ZNMIVQPWSA-N 2 1 288.426 3.522 20 0 CHADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc4ccccc4c3)C2)C1 ZINC000559310872 1128230544 /nfs/dbraw/zinc/23/05/44/1128230544.db2.gz GNPIVMICNLZURS-FQEVSTJZSA-N 2 1 294.442 3.758 20 0 CHADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc4ccccc4c3)C2)C1 ZINC000559310872 1128230548 /nfs/dbraw/zinc/23/05/48/1128230548.db2.gz GNPIVMICNLZURS-FQEVSTJZSA-N 2 1 294.442 3.758 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1C[C@H]1c1ccccc1 ZINC000670154792 1128269904 /nfs/dbraw/zinc/26/99/04/1128269904.db2.gz HAPGGYOTUZWPNJ-BDTLANNCSA-N 2 1 298.474 3.784 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1C[C@H]1c1ccccc1 ZINC000670154792 1128269906 /nfs/dbraw/zinc/26/99/06/1128269906.db2.gz HAPGGYOTUZWPNJ-BDTLANNCSA-N 2 1 298.474 3.784 20 0 CHADMP CCc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)s1 ZINC001649175652 1128331286 /nfs/dbraw/zinc/33/12/86/1128331286.db2.gz NLFIGABBFZBRBV-AWEZNQCLSA-N 2 1 280.481 3.521 20 0 CHADMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000561983823 1128367684 /nfs/dbraw/zinc/36/76/84/1128367684.db2.gz UNTZMAROSNADGR-QAPCUYQASA-N 2 1 298.430 3.719 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(-c2ccccc2)o1 ZINC000561983823 1128367695 /nfs/dbraw/zinc/36/76/95/1128367695.db2.gz UNTZMAROSNADGR-QAPCUYQASA-N 2 1 298.430 3.719 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(-c2ccccc2)o1 ZINC000561983823 1128367698 /nfs/dbraw/zinc/36/76/98/1128367698.db2.gz UNTZMAROSNADGR-QAPCUYQASA-N 2 1 298.430 3.719 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000561983823 1128367701 /nfs/dbraw/zinc/36/77/01/1128367701.db2.gz UNTZMAROSNADGR-QAPCUYQASA-N 2 1 298.430 3.719 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000561983823 1128367704 /nfs/dbraw/zinc/36/77/04/1128367704.db2.gz UNTZMAROSNADGR-QAPCUYQASA-N 2 1 298.430 3.719 20 0 CHADMP C[C@@H](C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C(C)(C)C ZINC000670266537 1128378032 /nfs/dbraw/zinc/37/80/32/1128378032.db2.gz JZIYBXXIYIRLMJ-CVEARBPZSA-N 2 1 268.489 3.770 20 0 CHADMP Cc1cc(C)c([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1C ZINC000037140794 1128417720 /nfs/dbraw/zinc/41/77/20/1128417720.db2.gz RXHNQQDRIMNAIQ-MRXNPFEDSA-N 2 1 286.463 3.889 20 0 CHADMP CC(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996572 1128404925 /nfs/dbraw/zinc/40/49/25/1128404925.db2.gz NSNUHDKMVLWVTK-QZTJIDSGSA-N 2 1 272.436 3.526 20 0 CHADMP CC(C)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996572 1128404926 /nfs/dbraw/zinc/40/49/26/1128404926.db2.gz NSNUHDKMVLWVTK-QZTJIDSGSA-N 2 1 272.436 3.526 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)[C@H]2CCCC[C@H]2C)C1 ZINC000562522487 1128407724 /nfs/dbraw/zinc/40/77/24/1128407724.db2.gz GMIRLWPQSWQHHC-NCOADZHNSA-N 2 1 266.473 3.521 20 0 CHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1)C1CC1 ZINC000537968335 1128427575 /nfs/dbraw/zinc/42/75/75/1128427575.db2.gz BMOUEPOBVGPQJG-GOSISDBHSA-N 2 1 274.452 3.805 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000124358836 1128443914 /nfs/dbraw/zinc/44/39/14/1128443914.db2.gz FZQQOLQUSGVXGG-CVEARBPZSA-N 2 1 298.474 3.700 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2cccs2)C2CCCC2)C1 ZINC000037644650 1128434174 /nfs/dbraw/zinc/43/41/74/1128434174.db2.gz SZAUIFLXOZCTFI-WMLDXEAASA-N 2 1 292.492 3.911 20 0 CHADMP CCCc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649257 1128435084 /nfs/dbraw/zinc/43/50/84/1128435084.db2.gz LTGCRVDHINGBPX-NVXWUHKLSA-N 2 1 286.463 3.774 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000125977371 1128459510 /nfs/dbraw/zinc/45/95/10/1128459510.db2.gz UGKFDVBTXZFJEY-DLBZAZTESA-N 2 1 274.452 3.766 20 0 CHADMP CC(C)(C)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000126443168 1128464026 /nfs/dbraw/zinc/46/40/26/1128464026.db2.gz SKJHGCHAWFMOOX-ZDUSSCGKSA-N 2 1 292.492 3.620 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000126892113 1128470328 /nfs/dbraw/zinc/47/03/28/1128470328.db2.gz YNMZANVAXHNLEL-WMLDXEAASA-N 2 1 292.492 3.738 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000126892113 1128470329 /nfs/dbraw/zinc/47/03/29/1128470329.db2.gz YNMZANVAXHNLEL-WMLDXEAASA-N 2 1 292.492 3.738 20 0 CHADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccccc2)cc1F ZINC000563721320 1128475875 /nfs/dbraw/zinc/47/58/75/1128475875.db2.gz GFBFXPCEEYCDKU-RDTXWAMCSA-N 2 1 298.405 3.804 20 0 CHADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccccc2)cc1F ZINC000563721320 1128475876 /nfs/dbraw/zinc/47/58/76/1128475876.db2.gz GFBFXPCEEYCDKU-RDTXWAMCSA-N 2 1 298.405 3.804 20 0 CHADMP CCC1CC([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000564067280 1128492339 /nfs/dbraw/zinc/49/23/39/1128492339.db2.gz SGKCUWWPIFLPEB-JCJXWUGKSA-N 2 1 286.463 3.675 20 0 CHADMP C[NH2+]C1CC[NH+](Cc2ccc(C3CCCCC3)cc2)CC1 ZINC000564988355 1128517503 /nfs/dbraw/zinc/51/75/03/1128517503.db2.gz FDYCFGCVJXSJOY-UHFFFAOYSA-N 2 1 286.463 3.918 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](F)C2)C[C@H]1c1ccccc1 ZINC000564965912 1128517941 /nfs/dbraw/zinc/51/79/41/1128517941.db2.gz MGUAPLJIGHTJJJ-MHORFTMASA-N 2 1 290.426 3.692 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](F)C2)C[C@H]1c1ccccc1 ZINC000564965912 1128517943 /nfs/dbraw/zinc/51/79/43/1128517943.db2.gz MGUAPLJIGHTJJJ-MHORFTMASA-N 2 1 290.426 3.692 20 0 CHADMP CCCCC[C@@H](C)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001257508933 1128521637 /nfs/dbraw/zinc/52/16/37/1128521637.db2.gz LYFLOCIFZPBPFH-HZPDHXFCSA-N 2 1 254.462 3.796 20 0 CHADMP CC(C)C[C@H](C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C)c1ccccc1 ZINC000566411164 1128544367 /nfs/dbraw/zinc/54/43/67/1128544367.db2.gz AEYPVCAAVFOLMI-KBAYOESNSA-N 2 1 274.452 3.628 20 0 CHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC2(C)CCC2)C1 ZINC000556105230 1128547544 /nfs/dbraw/zinc/54/75/44/1128547544.db2.gz VDJDHWVMNDNXAQ-DLBZAZTESA-N 2 1 278.484 3.763 20 0 CHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC2(C)CCC2)C1 ZINC000556105230 1128547548 /nfs/dbraw/zinc/54/75/48/1128547548.db2.gz VDJDHWVMNDNXAQ-DLBZAZTESA-N 2 1 278.484 3.763 20 0 CHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC2(C)CCC2)C1 ZINC000556105230 1128547551 /nfs/dbraw/zinc/54/75/51/1128547551.db2.gz VDJDHWVMNDNXAQ-DLBZAZTESA-N 2 1 278.484 3.763 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000564251735 1128561219 /nfs/dbraw/zinc/56/12/19/1128561219.db2.gz KEJFUMJFJBKFGJ-CVEARBPZSA-N 2 1 262.441 3.500 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000564251735 1128561222 /nfs/dbraw/zinc/56/12/22/1128561222.db2.gz KEJFUMJFJBKFGJ-CVEARBPZSA-N 2 1 262.441 3.500 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC[N@@H+]1C ZINC000129714481 1128554417 /nfs/dbraw/zinc/55/44/17/1128554417.db2.gz CSTGYHICZNBFQO-CSMYWGQOSA-N 2 1 292.854 3.863 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC[N@H+]1C ZINC000129714481 1128554419 /nfs/dbraw/zinc/55/44/19/1128554419.db2.gz CSTGYHICZNBFQO-CSMYWGQOSA-N 2 1 292.854 3.863 20 0 CHADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000567258116 1128561388 /nfs/dbraw/zinc/56/13/88/1128561388.db2.gz NVYPDZQVAKNMHS-FLFBIERCSA-N 2 1 298.474 3.703 20 0 CHADMP c1cc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)cs1 ZINC000567359019 1128563320 /nfs/dbraw/zinc/56/33/20/1128563320.db2.gz FZUZVRFDWCQUAV-SFHVURJKSA-N 2 1 298.455 3.731 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000567648357 1128569307 /nfs/dbraw/zinc/56/93/07/1128569307.db2.gz CKYGPOCEXONALB-XIRDDKMYSA-N 2 1 295.430 3.556 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[C@H](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000567648355 1128569706 /nfs/dbraw/zinc/56/97/06/1128569706.db2.gz CKYGPOCEXONALB-UAGQMJEPSA-N 2 1 295.430 3.556 20 0 CHADMP [NH3+]C[C@@H]([NH2+][C@H]1CCCc2c3ccccc3[nH]c21)C1CCCC1 ZINC000567724433 1128570544 /nfs/dbraw/zinc/57/05/44/1128570544.db2.gz PMUZOHNEDLGBTK-ZWKOTPCHSA-N 2 1 297.446 3.652 20 0 CHADMP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000130333769 1128579482 /nfs/dbraw/zinc/57/94/82/1128579482.db2.gz VZQUMNVNYPDGNL-CGTJXYLNSA-N 2 1 272.436 3.581 20 0 CHADMP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000130333769 1128579486 /nfs/dbraw/zinc/57/94/86/1128579486.db2.gz VZQUMNVNYPDGNL-CGTJXYLNSA-N 2 1 272.436 3.581 20 0 CHADMP C[N@H+](Cc1ccc(C(C)(C)C)cc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236211417 1128614711 /nfs/dbraw/zinc/61/47/11/1128614711.db2.gz HWMNYBZHMSXAHL-SJORKVTESA-N 2 1 274.452 3.686 20 0 CHADMP C[N@@H+](Cc1ccc(C(C)(C)C)cc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236211417 1128614712 /nfs/dbraw/zinc/61/47/12/1128614712.db2.gz HWMNYBZHMSXAHL-SJORKVTESA-N 2 1 274.452 3.686 20 0 CHADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000131355032 1128615472 /nfs/dbraw/zinc/61/54/72/1128615472.db2.gz IXENISMXJRISIS-UHFFFAOYSA-N 2 1 296.405 3.978 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CC(C(C)C)C(C)C)C[C@@H]1C ZINC000556602128 1128608874 /nfs/dbraw/zinc/60/88/74/1128608874.db2.gz QNBJAANMNJHTCK-HOTGVXAUSA-N 2 1 268.489 3.719 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CC(C(C)C)C(C)C)C[C@@H]1C ZINC000556602128 1128608875 /nfs/dbraw/zinc/60/88/75/1128608875.db2.gz QNBJAANMNJHTCK-HOTGVXAUSA-N 2 1 268.489 3.719 20 0 CHADMP Cc1nccn1CC[N@H+](C)[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000499051671 1128635771 /nfs/dbraw/zinc/63/57/71/1128635771.db2.gz FGGZOLNXXGPYKP-OALUTQOASA-N 2 1 297.446 3.768 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000499051671 1128635773 /nfs/dbraw/zinc/63/57/73/1128635773.db2.gz FGGZOLNXXGPYKP-OALUTQOASA-N 2 1 297.446 3.768 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000499051671 1128635776 /nfs/dbraw/zinc/63/57/76/1128635776.db2.gz FGGZOLNXXGPYKP-OALUTQOASA-N 2 1 297.446 3.768 20 0 CHADMP Cc1nccn1CC[N@H+](C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000499051672 1128636022 /nfs/dbraw/zinc/63/60/22/1128636022.db2.gz FGGZOLNXXGPYKP-RBUKOAKNSA-N 2 1 297.446 3.768 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000499051672 1128636025 /nfs/dbraw/zinc/63/60/25/1128636025.db2.gz FGGZOLNXXGPYKP-RBUKOAKNSA-N 2 1 297.446 3.768 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000499051672 1128636026 /nfs/dbraw/zinc/63/60/26/1128636026.db2.gz FGGZOLNXXGPYKP-RBUKOAKNSA-N 2 1 297.446 3.768 20 0 CHADMP CC[C@@H](C)[NH+](C)Cc1cncc(C[N@H+](C)[C@H](C)CC)c1 ZINC000570771530 1128632098 /nfs/dbraw/zinc/63/20/98/1128632098.db2.gz BPZTWOPNDSHTBH-HUUCEWRRSA-N 2 1 277.456 3.542 20 0 CHADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc3ccccc3c2)C1 ZINC000571924234 1128640120 /nfs/dbraw/zinc/64/01/20/1128640120.db2.gz FRIPYTIHRPDDTL-PMACEKPBSA-N 2 1 294.442 3.756 20 0 CHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc3ccccc3c2)C1 ZINC000571924234 1128640123 /nfs/dbraw/zinc/64/01/23/1128640123.db2.gz FRIPYTIHRPDDTL-PMACEKPBSA-N 2 1 294.442 3.756 20 0 CHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc3ccccc3c2)C1 ZINC000571924234 1128640125 /nfs/dbraw/zinc/64/01/25/1128640125.db2.gz FRIPYTIHRPDDTL-PMACEKPBSA-N 2 1 294.442 3.756 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)c2sccc21 ZINC000572713350 1128646676 /nfs/dbraw/zinc/64/66/76/1128646676.db2.gz QYIIAYRLHIDOBJ-VNHYZAJKSA-N 2 1 278.465 3.618 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)c2sccc21 ZINC000572713350 1128646679 /nfs/dbraw/zinc/64/66/79/1128646679.db2.gz QYIIAYRLHIDOBJ-VNHYZAJKSA-N 2 1 278.465 3.618 20 0 CHADMP Cc1ccccc1-c1cccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000573119621 1128651402 /nfs/dbraw/zinc/65/14/02/1128651402.db2.gz FUTJXFPMFMAAJI-SFHVURJKSA-N 2 1 294.442 3.833 20 0 CHADMP CC(C)c1ccc(CC[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000573249503 1128653220 /nfs/dbraw/zinc/65/32/20/1128653220.db2.gz MQUPFUCTWPYYQY-LPHOPBHVSA-N 2 1 288.479 3.625 20 0 CHADMP CC(C)c1ccc(CC[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000573249503 1128653221 /nfs/dbraw/zinc/65/32/21/1128653221.db2.gz MQUPFUCTWPYYQY-LPHOPBHVSA-N 2 1 288.479 3.625 20 0 CHADMP CC(C)c1ccc(CC[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000573249503 1128653223 /nfs/dbraw/zinc/65/32/23/1128653223.db2.gz MQUPFUCTWPYYQY-LPHOPBHVSA-N 2 1 288.479 3.625 20 0 CHADMP CC(C)c1ccc(CC[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000573249503 1128653224 /nfs/dbraw/zinc/65/32/24/1128653224.db2.gz MQUPFUCTWPYYQY-LPHOPBHVSA-N 2 1 288.479 3.625 20 0 CHADMP CC(C)c1ccc(CC[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000573249504 1128653236 /nfs/dbraw/zinc/65/32/36/1128653236.db2.gz MQUPFUCTWPYYQY-QFBILLFUSA-N 2 1 288.479 3.625 20 0 CHADMP CC(C)c1ccc(CC[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000573249504 1128653239 /nfs/dbraw/zinc/65/32/39/1128653239.db2.gz MQUPFUCTWPYYQY-QFBILLFUSA-N 2 1 288.479 3.625 20 0 CHADMP CC(C)c1ccc(CC[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000573249504 1128653240 /nfs/dbraw/zinc/65/32/40/1128653240.db2.gz MQUPFUCTWPYYQY-QFBILLFUSA-N 2 1 288.479 3.625 20 0 CHADMP CC(C)c1ccc(CC[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000573249504 1128653241 /nfs/dbraw/zinc/65/32/41/1128653241.db2.gz MQUPFUCTWPYYQY-QFBILLFUSA-N 2 1 288.479 3.625 20 0 CHADMP CC1=CC[C@@H]([NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000573707357 1128656847 /nfs/dbraw/zinc/65/68/47/1128656847.db2.gz YIWMYIRSKOSJDF-DLBZAZTESA-N 2 1 264.457 3.729 20 0 CHADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000577814717 1128690337 /nfs/dbraw/zinc/69/03/37/1128690337.db2.gz WZHDWOPDRMOYPR-ZYSHUDEJSA-N 2 1 286.463 3.802 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001258053853 1128707778 /nfs/dbraw/zinc/70/77/78/1128707778.db2.gz XCRGNFWGLBIRIW-HRCADAONSA-N 2 1 254.462 3.521 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(Cl)c1 ZINC000034958903 1117753785 /nfs/dbraw/zinc/75/37/85/1117753785.db2.gz OAAQZYCIAGKPBI-RJPYNODJSA-N 2 1 278.827 3.616 20 0 CHADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CCCc2cncn2C)C1 ZINC000579729056 1117766468 /nfs/dbraw/zinc/76/64/68/1117766468.db2.gz QRFVJSNKDMWSEL-DLBZAZTESA-N 2 1 297.446 3.539 20 0 CHADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000579729056 1117766471 /nfs/dbraw/zinc/76/64/71/1117766471.db2.gz QRFVJSNKDMWSEL-DLBZAZTESA-N 2 1 297.446 3.539 20 0 CHADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000579729056 1117766475 /nfs/dbraw/zinc/76/64/75/1117766475.db2.gz QRFVJSNKDMWSEL-DLBZAZTESA-N 2 1 297.446 3.539 20 0 CHADMP Cc1ccc(C[N@@H+](CCCc2c[nH+]cn2C)C(C)C)s1 ZINC000579001351 1128735242 /nfs/dbraw/zinc/73/52/42/1128735242.db2.gz PXJYKOLQPFPVFQ-UHFFFAOYSA-N 2 1 291.464 3.633 20 0 CHADMP Cc1ccc(C[N@H+](CCCc2c[nH+]cn2C)C(C)C)s1 ZINC000579001351 1128735244 /nfs/dbraw/zinc/73/52/44/1128735244.db2.gz PXJYKOLQPFPVFQ-UHFFFAOYSA-N 2 1 291.464 3.633 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430164936 1117801596 /nfs/dbraw/zinc/80/15/96/1117801596.db2.gz MZSXIRIRUKPOFF-MSOLQXFVSA-N 2 1 278.484 3.787 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000430164936 1117801600 /nfs/dbraw/zinc/80/16/00/1117801600.db2.gz MZSXIRIRUKPOFF-MSOLQXFVSA-N 2 1 278.484 3.787 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000430164936 1117801603 /nfs/dbraw/zinc/80/16/03/1117801603.db2.gz MZSXIRIRUKPOFF-MSOLQXFVSA-N 2 1 278.484 3.787 20 0 CHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1 ZINC000530460195 1117808332 /nfs/dbraw/zinc/80/83/32/1117808332.db2.gz TXTYWSKTOPZIGU-ZWKOTPCHSA-N 2 1 297.446 3.669 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(Cl)cc1 ZINC000623336832 1117833876 /nfs/dbraw/zinc/83/38/76/1117833876.db2.gz HWULCKCRXJLEAH-DOMZBBRYSA-N 2 1 280.843 3.863 20 0 CHADMP CCC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623339894 1117837014 /nfs/dbraw/zinc/83/70/14/1117837014.db2.gz OMLBFYYSRKPLRI-IAGOWNOFSA-N 2 1 274.452 3.990 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623339896 1117838084 /nfs/dbraw/zinc/83/80/84/1117838084.db2.gz OMLBFYYSRKPLRI-SJORKVTESA-N 2 1 274.452 3.990 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3ccccc32)CC1(C)C ZINC000623385038 1117846554 /nfs/dbraw/zinc/84/65/54/1117846554.db2.gz ZCRGILHZQYAOOT-KRWDZBQOSA-N 2 1 282.431 3.802 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(C)(C)c1ccccc1 ZINC000623399521 1117849606 /nfs/dbraw/zinc/84/96/06/1117849606.db2.gz POLPNNFYELKNSL-RDJZCZTQSA-N 2 1 288.479 3.815 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(C)(C)c1ccccc1 ZINC000623399520 1117849960 /nfs/dbraw/zinc/84/99/60/1117849960.db2.gz POLPNNFYELKNSL-NVXWUHKLSA-N 2 1 288.479 3.815 20 0 CHADMP CC/C=C\CCCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001236364574 1128738829 /nfs/dbraw/zinc/73/88/29/1128738829.db2.gz YWBPIOUELJATHQ-NMEQGOOXSA-N 2 1 292.389 3.725 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CC[C@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001236364574 1128738831 /nfs/dbraw/zinc/73/88/31/1128738831.db2.gz YWBPIOUELJATHQ-NMEQGOOXSA-N 2 1 292.389 3.725 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccoc1 ZINC000178098019 1117885864 /nfs/dbraw/zinc/88/58/64/1117885864.db2.gz XYIVZDQAKMXNGZ-GJZGRUSLSA-N 2 1 264.413 3.585 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2F)CC[N@@H+]1Cc1ccccc1 ZINC000339583898 1117890432 /nfs/dbraw/zinc/89/04/32/1117890432.db2.gz KLGDKVHTIXYVPM-DDBAPUKQSA-N 2 1 290.426 3.520 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2F)CC[N@H+]1Cc1ccccc1 ZINC000339583898 1117890438 /nfs/dbraw/zinc/89/04/38/1117890438.db2.gz KLGDKVHTIXYVPM-DDBAPUKQSA-N 2 1 290.426 3.520 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccoc2)c1 ZINC000178737729 1117895308 /nfs/dbraw/zinc/89/53/08/1117895308.db2.gz JQEPBXQRALRMMB-AWEZNQCLSA-N 2 1 272.392 3.582 20 0 CHADMP CC(C)Oc1cccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)c1 ZINC000179683888 1117909902 /nfs/dbraw/zinc/90/99/02/1117909902.db2.gz FZAVAMCPBADCGE-RDJZCZTQSA-N 2 1 290.451 3.609 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCc1cccc(Cl)c1 ZINC000180462985 1117930499 /nfs/dbraw/zinc/93/04/99/1117930499.db2.gz XOMPWOQPKIGXBJ-KEYYUXOJSA-N 2 1 294.870 3.591 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@H]3[C@@H]4CCC[C@@H]43)CC23CC3)cc1 ZINC000579377288 1128746637 /nfs/dbraw/zinc/74/66/37/1128746637.db2.gz LUVKLDSVUHQZPV-YRXWBPOGSA-N 2 1 296.458 3.572 20 0 CHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+][C@H]3[C@@H]4CCC[C@@H]43)CC23CC3)cc1 ZINC000579377288 1128746641 /nfs/dbraw/zinc/74/66/41/1128746641.db2.gz LUVKLDSVUHQZPV-YRXWBPOGSA-N 2 1 296.458 3.572 20 0 CHADMP CC[C@H](CCc1ccccc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000623999573 1117967466 /nfs/dbraw/zinc/96/74/66/1117967466.db2.gz VEFFVVYMTWIPNL-RBUKOAKNSA-N 2 1 288.479 3.719 20 0 CHADMP CCC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000624119412 1117984762 /nfs/dbraw/zinc/98/47/62/1117984762.db2.gz AWTBKMGPSGUCIL-AEFFLSMTSA-N 2 1 274.452 3.849 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc(F)ccc1F ZINC000624120596 1117985526 /nfs/dbraw/zinc/98/55/26/1117985526.db2.gz CDXOVPMSRGGRFL-SUMWQHHRSA-N 2 1 296.405 3.737 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(F)ccc1F ZINC000624120596 1117985530 /nfs/dbraw/zinc/98/55/30/1117985530.db2.gz CDXOVPMSRGGRFL-SUMWQHHRSA-N 2 1 296.405 3.737 20 0 CHADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000624121802 1117986016 /nfs/dbraw/zinc/98/60/16/1117986016.db2.gz DFAXQORYFKILPH-GUYCJALGSA-N 2 1 292.854 3.649 20 0 CHADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121181 1117986080 /nfs/dbraw/zinc/98/60/80/1117986080.db2.gz PPARYTJDHMEOBO-ULQDDVLXSA-N 2 1 274.452 3.500 20 0 CHADMP CCC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccsc1 ZINC000624123680 1117986877 /nfs/dbraw/zinc/98/68/77/1117986877.db2.gz QHQKMALCDAODSC-GDBMZVCRSA-N 2 1 280.481 3.911 20 0 CHADMP CC[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624124833 1117986905 /nfs/dbraw/zinc/98/69/05/1117986905.db2.gz LYBOPJUAEIFHEC-RTBURBONSA-N 2 1 288.479 3.719 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1nccc2ccccc21 ZINC000624123568 1117987001 /nfs/dbraw/zinc/98/70/01/1117987001.db2.gz OGXPHMDXKJZKOF-HOTGVXAUSA-N 2 1 297.446 3.617 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1nccc2ccccc21 ZINC000624123568 1117987005 /nfs/dbraw/zinc/98/70/05/1117987005.db2.gz OGXPHMDXKJZKOF-HOTGVXAUSA-N 2 1 297.446 3.617 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(C2CC2)c1 ZINC000624124161 1117987685 /nfs/dbraw/zinc/98/76/85/1117987685.db2.gz YRKQCLSSAZHREB-HOTGVXAUSA-N 2 1 286.463 3.947 20 0 CHADMP c1cn(CCC[N@H+]2CCC[C@H]2CCCc2ccccc2)cn1 ZINC000182865889 1118030906 /nfs/dbraw/zinc/03/09/06/1118030906.db2.gz WTRXXOOQGUUPOI-LJQANCHMSA-N 2 1 297.446 3.761 20 0 CHADMP CC(C)=CCC[C@@H](C)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001258085984 1128752323 /nfs/dbraw/zinc/75/23/23/1128752323.db2.gz PIGVLUMDHQWWPM-IAGOWNOFSA-N 2 1 266.473 3.962 20 0 CHADMP COc1ccccc1[C@H](C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000184496262 1118054594 /nfs/dbraw/zinc/05/45/94/1118054594.db2.gz KFSVEORPRCQYAT-CVEARBPZSA-N 2 1 290.451 3.610 20 0 CHADMP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000091587973 1118065489 /nfs/dbraw/zinc/06/54/89/1118065489.db2.gz URBZBSCEMWWGPI-HKUYNNGSSA-N 2 1 286.463 3.795 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(C2CC2)c1 ZINC000340175833 1118098853 /nfs/dbraw/zinc/09/88/53/1118098853.db2.gz RCQZHMSSVNEHPQ-GJZGRUSLSA-N 2 1 284.447 3.699 20 0 CHADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000312498816 1118114432 /nfs/dbraw/zinc/11/44/32/1118114432.db2.gz LENXLBQIYKEXMG-RYUDHWBXSA-N 2 1 297.512 3.597 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CCCCCCC2)[C@H](C)C1 ZINC000765238124 1118140124 /nfs/dbraw/zinc/14/01/24/1118140124.db2.gz DSANCAKLBPRZSO-NVXWUHKLSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1sc2ccccc2c1Cl ZINC000124498462 1118154709 /nfs/dbraw/zinc/15/47/09/1118154709.db2.gz KUOYNNXKXXUMAJ-WDEREUQCSA-N 2 1 294.851 3.866 20 0 CHADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1sc2ccccc2c1Cl ZINC000124498462 1118154710 /nfs/dbraw/zinc/15/47/10/1118154710.db2.gz KUOYNNXKXXUMAJ-WDEREUQCSA-N 2 1 294.851 3.866 20 0 CHADMP Cc1cc2c(c(C)c1)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000655698850 1118188054 /nfs/dbraw/zinc/18/80/54/1118188054.db2.gz XWYYZILNAFUMPY-GOSISDBHSA-N 2 1 284.447 3.507 20 0 CHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](c2ccc(C)o2)C2CCC2)C1 ZINC000542665212 1118196370 /nfs/dbraw/zinc/19/63/70/1118196370.db2.gz GPWRZGCAWUIABD-QAPCUYQASA-N 2 1 290.451 3.751 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(C)o2)C2CCC2)C1 ZINC000542665212 1118196374 /nfs/dbraw/zinc/19/63/74/1118196374.db2.gz GPWRZGCAWUIABD-QAPCUYQASA-N 2 1 290.451 3.751 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC001648814909 1118222904 /nfs/dbraw/zinc/22/29/04/1118222904.db2.gz UIWRRQCFBNPTRT-MEWRGDBZSA-N 2 1 278.484 3.523 20 0 CHADMP Cc1ccc([C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C2CCC2)o1 ZINC000542670698 1118237649 /nfs/dbraw/zinc/23/76/49/1118237649.db2.gz IYRQFUXNMPTIGO-INIZCTEOSA-N 2 1 278.440 3.607 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)s1 ZINC000037649004 1118278653 /nfs/dbraw/zinc/27/86/53/1118278653.db2.gz QAWVEPSWFQTTAG-GHMZBOCLSA-N 2 1 284.856 3.536 20 0 CHADMP C/C(=C/c1ccccc1)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000255063446 1118279961 /nfs/dbraw/zinc/27/99/61/1118279961.db2.gz ZEEMMCULJYRGNV-SKHUITFRSA-N 2 1 272.436 3.504 20 0 CHADMP C/C(=C/c1ccccc1)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000255063446 1118279965 /nfs/dbraw/zinc/27/99/65/1118279965.db2.gz ZEEMMCULJYRGNV-SKHUITFRSA-N 2 1 272.436 3.504 20 0 CHADMP C/C(=C/c1ccccc1)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000255063446 1118279969 /nfs/dbraw/zinc/27/99/69/1118279969.db2.gz ZEEMMCULJYRGNV-SKHUITFRSA-N 2 1 272.436 3.504 20 0 CHADMP C/C(=C/c1ccccc1)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000255063446 1118279972 /nfs/dbraw/zinc/27/99/72/1118279972.db2.gz ZEEMMCULJYRGNV-SKHUITFRSA-N 2 1 272.436 3.504 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(CC)cc1 ZINC000580006281 1118285247 /nfs/dbraw/zinc/28/52/47/1118285247.db2.gz SYHMPENMVHCOJN-UHFFFAOYSA-N 2 1 299.462 3.920 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(CC)cc1 ZINC000580006281 1118285249 /nfs/dbraw/zinc/28/52/49/1118285249.db2.gz SYHMPENMVHCOJN-UHFFFAOYSA-N 2 1 299.462 3.920 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2F)cc1 ZINC000340525192 1118317713 /nfs/dbraw/zinc/31/77/13/1118317713.db2.gz WCQAATRQDXQJIS-VUCTXSBTSA-N 2 1 287.382 3.722 20 0 CHADMP C[C@@H]([NH2+]Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000306747606 1118340322 /nfs/dbraw/zinc/34/03/22/1118340322.db2.gz FPYBZZMJEUEXHH-XLIONFOSSA-N 2 1 294.442 3.687 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000069754242 1118370389 /nfs/dbraw/zinc/37/03/89/1118370389.db2.gz NUKQQQMECKLUNW-UHFFFAOYSA-N 2 1 298.217 3.678 20 0 CHADMP CC[N@@H+](C/C=C/c1ccccc1)CCC[NH+]1CCCC1 ZINC000580245226 1118407032 /nfs/dbraw/zinc/40/70/32/1118407032.db2.gz FTUHCKLOBVRJIE-XYOKQWHBSA-N 2 1 272.436 3.508 20 0 CHADMP CC[N@H+](C/C=C/c1ccccc1)CCC[NH+]1CCCC1 ZINC000580245226 1118407033 /nfs/dbraw/zinc/40/70/33/1118407033.db2.gz FTUHCKLOBVRJIE-XYOKQWHBSA-N 2 1 272.436 3.508 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3sccc3c2)[C@H](C)C1 ZINC000580262062 1118411511 /nfs/dbraw/zinc/41/15/11/1118411511.db2.gz HZYFDXDWIPDHJA-CJNGLKHVSA-N 2 1 288.460 3.721 20 0 CHADMP c1c2ccccc2[nH]c1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000684021906 1118489874 /nfs/dbraw/zinc/48/98/74/1118489874.db2.gz XWNJPDPJEZVYPD-SFHVURJKSA-N 2 1 297.446 3.618 20 0 CHADMP c1c2ccccc2[nH]c1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000684021906 1118489878 /nfs/dbraw/zinc/48/98/78/1118489878.db2.gz XWNJPDPJEZVYPD-SFHVURJKSA-N 2 1 297.446 3.618 20 0 CHADMP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398202370 1118498927 /nfs/dbraw/zinc/49/89/27/1118498927.db2.gz NFKAOFXGSFPYKG-FCEWJHQRSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398202370 1118498929 /nfs/dbraw/zinc/49/89/29/1118498929.db2.gz NFKAOFXGSFPYKG-FCEWJHQRSA-N 2 1 286.463 3.675 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C(C)C ZINC000126850280 1118511694 /nfs/dbraw/zinc/51/16/94/1118511694.db2.gz HUUTXIKMVXAAAB-WBVHZDCISA-N 2 1 294.508 3.984 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C(C)C ZINC000126850280 1118511697 /nfs/dbraw/zinc/51/16/97/1118511697.db2.gz HUUTXIKMVXAAAB-WBVHZDCISA-N 2 1 294.508 3.984 20 0 CHADMP CCCCCC[C@@H](C)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC000228832525 1118511904 /nfs/dbraw/zinc/51/19/04/1118511904.db2.gz MNFUXKUEARAMMX-CQSZACIVSA-N 2 1 263.429 3.882 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000580916403 1118521707 /nfs/dbraw/zinc/52/17/07/1118521707.db2.gz UCNLCTKZTIUZOI-MELADBBJSA-N 2 1 294.405 3.818 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000580916403 1118521709 /nfs/dbraw/zinc/52/17/09/1118521709.db2.gz UCNLCTKZTIUZOI-MELADBBJSA-N 2 1 294.405 3.818 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000160757793 1118537581 /nfs/dbraw/zinc/53/75/81/1118537581.db2.gz DDFWNWRIVBUGQB-KCITZHQASA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000160757793 1118537583 /nfs/dbraw/zinc/53/75/83/1118537583.db2.gz DDFWNWRIVBUGQB-KCITZHQASA-N 2 1 286.463 3.675 20 0 CHADMP CC[N@H+](CCC[NH+](C)C)Cc1csc2ccccc12 ZINC000349410498 1118583694 /nfs/dbraw/zinc/58/36/94/1118583694.db2.gz VBIJFOWKJJNCJV-UHFFFAOYSA-N 2 1 276.449 3.675 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1csc2ccccc12 ZINC000349410498 1118583695 /nfs/dbraw/zinc/58/36/95/1118583695.db2.gz VBIJFOWKJJNCJV-UHFFFAOYSA-N 2 1 276.449 3.675 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)c(F)c1 ZINC000322342861 1118601022 /nfs/dbraw/zinc/60/10/22/1118601022.db2.gz CMNUBZBPLYLCBZ-HLVVYCRESA-N 2 1 296.817 3.755 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000605421247 1118601182 /nfs/dbraw/zinc/60/11/82/1118601182.db2.gz NFXBEFAAFXVGQI-KBPBESRZSA-N 2 1 280.843 3.675 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000605421247 1118601185 /nfs/dbraw/zinc/60/11/85/1118601185.db2.gz NFXBEFAAFXVGQI-KBPBESRZSA-N 2 1 280.843 3.675 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000605421247 1118601188 /nfs/dbraw/zinc/60/11/88/1118601188.db2.gz NFXBEFAAFXVGQI-KBPBESRZSA-N 2 1 280.843 3.675 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000605421247 1118601189 /nfs/dbraw/zinc/60/11/89/1118601189.db2.gz NFXBEFAAFXVGQI-KBPBESRZSA-N 2 1 280.843 3.675 20 0 CHADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cccc(C3CCCC3)c2)C1 ZINC000656786086 1118656728 /nfs/dbraw/zinc/65/67/28/1118656728.db2.gz KKRKOMCGHDUXBM-GOSISDBHSA-N 2 1 272.436 3.515 20 0 CHADMP C[C@H]1C[N@@H+](Cc2cccc(C3CCCC3)c2)CC[C@@H]1[NH3+] ZINC000656784904 1118657350 /nfs/dbraw/zinc/65/73/50/1118657350.db2.gz FDNXNDIBDMXLQZ-KSSFIOAISA-N 2 1 272.436 3.513 20 0 CHADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(C3CCCC3)c2)C1 ZINC000656785707 1118657647 /nfs/dbraw/zinc/65/76/47/1118657647.db2.gz IOCHQTHHOSLIRT-KBXCAEBGSA-N 2 1 272.436 3.513 20 0 CHADMP C[C@@H](C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccccc1 ZINC000656789356 1118659142 /nfs/dbraw/zinc/65/91/42/1118659142.db2.gz WNVHMFVEPJUEIJ-PWIZWCRZSA-N 2 1 294.442 3.525 20 0 CHADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723700158 1118708480 /nfs/dbraw/zinc/70/84/80/1118708480.db2.gz YUSJDBKWXZBYJR-GJZGRUSLSA-N 2 1 268.404 3.572 20 0 CHADMP C[C@H](c1ccccc1)[N@@H+](CC1CC[NH+](C)CC1)C1CC1 ZINC000891591769 1118715110 /nfs/dbraw/zinc/71/51/10/1118715110.db2.gz FALYZLJDZWLDDJ-OAHLLOKOSA-N 2 1 272.436 3.554 20 0 CHADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000131519659 1118761238 /nfs/dbraw/zinc/76/12/38/1118761238.db2.gz PAQZEXNTSOUZGE-NVXWUHKLSA-N 2 1 280.415 3.523 20 0 CHADMP CC[N@H+](CC[NH2+][C@@H](C)CCc1c(F)cccc1F)C(C)C ZINC000510679389 1118786166 /nfs/dbraw/zinc/78/61/66/1118786166.db2.gz GUBWFXXYKAEKOJ-AWEZNQCLSA-N 2 1 298.421 3.606 20 0 CHADMP CC[N@@H+](CC[NH2+][C@@H](C)CCc1c(F)cccc1F)C(C)C ZINC000510679389 1118786168 /nfs/dbraw/zinc/78/61/68/1118786168.db2.gz GUBWFXXYKAEKOJ-AWEZNQCLSA-N 2 1 298.421 3.606 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000510676210 1118786180 /nfs/dbraw/zinc/78/61/80/1118786180.db2.gz UAWSNKHMUBZTOK-BPQIPLTHSA-N 2 1 278.484 3.809 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@H]3C3CCC3)CC2)cc1 ZINC000510723418 1118796741 /nfs/dbraw/zinc/79/67/41/1118796741.db2.gz QWQVJWHLEQONGF-PMACEKPBSA-N 2 1 298.474 3.819 20 0 CHADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@H]1CC[C@H]1C1CCC1)C2 ZINC000510736961 1118805894 /nfs/dbraw/zinc/80/58/94/1118805894.db2.gz QOSAPOVLURUGBB-PMACEKPBSA-N 2 1 298.474 3.603 20 0 CHADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@H]1CC[C@H]1C1CCC1)C2 ZINC000510736961 1118805899 /nfs/dbraw/zinc/80/58/99/1118805899.db2.gz QOSAPOVLURUGBB-PMACEKPBSA-N 2 1 298.474 3.603 20 0 CHADMP FCCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000510748972 1118807264 /nfs/dbraw/zinc/80/72/64/1118807264.db2.gz DNWMJNNZWCTJAC-RCCFBDPRSA-N 2 1 296.474 3.759 20 0 CHADMP FCCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000510748972 1118807271 /nfs/dbraw/zinc/80/72/71/1118807271.db2.gz DNWMJNNZWCTJAC-RCCFBDPRSA-N 2 1 296.474 3.759 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000510756983 1118807486 /nfs/dbraw/zinc/80/74/86/1118807486.db2.gz UIIZUUKPIQAFBW-IXDOHACOSA-N 2 1 284.463 3.759 20 0 CHADMP CC[C@H]1CCCC[C@@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000401302382 1118850693 /nfs/dbraw/zinc/85/06/93/1118850693.db2.gz LLAOLHNHSFDNRR-VQTPCSAVSA-N 2 1 278.484 3.808 20 0 CHADMP CC[C@@H]1CCCC[C@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000401302375 1118850826 /nfs/dbraw/zinc/85/08/26/1118850826.db2.gz LLAOLHNHSFDNRR-CIQAELJKSA-N 2 1 278.484 3.808 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCc2cccc(C)c2)C1 ZINC000181132780 1118904482 /nfs/dbraw/zinc/90/44/82/1118904482.db2.gz UTRRBYDZSCPTFV-IBGZPJMESA-N 2 1 288.479 3.591 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCc2cccc(C)c2)C1 ZINC000181132780 1118904485 /nfs/dbraw/zinc/90/44/85/1118904485.db2.gz UTRRBYDZSCPTFV-IBGZPJMESA-N 2 1 288.479 3.591 20 0 CHADMP C1=CCC(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000724186439 1118919129 /nfs/dbraw/zinc/91/91/29/1118919129.db2.gz QBAVSQNMNNBZNI-UHFFFAOYSA-N 2 1 284.447 3.597 20 0 CHADMP CC(C)(C)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000380910059 1118965148 /nfs/dbraw/zinc/96/51/48/1118965148.db2.gz KRGAASIQSMHCJS-KRWDZBQOSA-N 2 1 274.452 3.534 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC001207276508 1118999759 /nfs/dbraw/zinc/99/97/59/1118999759.db2.gz YMBWZEGYIOZXHV-INIZCTEOSA-N 2 1 278.415 3.550 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC001207276508 1118999762 /nfs/dbraw/zinc/99/97/62/1118999762.db2.gz YMBWZEGYIOZXHV-INIZCTEOSA-N 2 1 278.415 3.550 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@H]1c1ccccc1 ZINC000582095532 1119006695 /nfs/dbraw/zinc/00/66/95/1119006695.db2.gz VXRHOMMCVIDJMN-ROUUACIJSA-N 2 1 272.436 3.698 20 0 CHADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000261605693 1119063831 /nfs/dbraw/zinc/06/38/31/1119063831.db2.gz CUWJMQYZQVHNHD-IBGZPJMESA-N 2 1 280.415 3.524 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000342545412 1119076898 /nfs/dbraw/zinc/07/68/98/1119076898.db2.gz IJTJHBVTTKGZHZ-UHFFFAOYSA-N 2 1 289.810 3.510 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000342545412 1119076902 /nfs/dbraw/zinc/07/69/02/1119076902.db2.gz IJTJHBVTTKGZHZ-UHFFFAOYSA-N 2 1 289.810 3.510 20 0 CHADMP C[N@H+](Cc1csc2ccccc12)C[C@H]1CCC[NH+](C)C1 ZINC000342556640 1119082142 /nfs/dbraw/zinc/08/21/42/1119082142.db2.gz UGPZNUQCRNDQIG-AWEZNQCLSA-N 2 1 288.460 3.675 20 0 CHADMP C[NH+](Cc1csc2ccccc12)C[C@H]1CCC[N@H+](C)C1 ZINC000342556640 1119082145 /nfs/dbraw/zinc/08/21/45/1119082145.db2.gz UGPZNUQCRNDQIG-AWEZNQCLSA-N 2 1 288.460 3.675 20 0 CHADMP C[NH+](Cc1csc2ccccc12)C[C@H]1CCC[N@@H+](C)C1 ZINC000342556640 1119082149 /nfs/dbraw/zinc/08/21/49/1119082149.db2.gz UGPZNUQCRNDQIG-AWEZNQCLSA-N 2 1 288.460 3.675 20 0 CHADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916047 1119183072 /nfs/dbraw/zinc/18/30/72/1119183072.db2.gz UHVJWNUOGIZLET-OKZBNKHCSA-N 2 1 272.436 3.602 20 0 CHADMP Cc1ccc([C@@H](C)C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000628213897 1128829407 /nfs/dbraw/zinc/82/94/07/1128829407.db2.gz CKKCBVHHZZEKGB-ROUUACIJSA-N 2 1 288.479 3.809 20 0 CHADMP Cc1[nH+]ccn1CCCCNc1cc(C)[nH+]c2ccccc12 ZINC000078336142 1119211721 /nfs/dbraw/zinc/21/17/21/1119211721.db2.gz NTRYMEIARXRUDQ-UHFFFAOYSA-N 2 1 294.402 3.940 20 0 CHADMP CC[C@H](Cc1ccccc1)[N@H+](CC)CCCn1cc[nH+]c1C ZINC000342859903 1119212100 /nfs/dbraw/zinc/21/21/00/1119212100.db2.gz LCAVADYFNBSWKY-LJQANCHMSA-N 2 1 299.462 3.925 20 0 CHADMP CC[C@H](Cc1ccccc1)[N@@H+](CC)CCCn1cc[nH+]c1C ZINC000342859903 1119212102 /nfs/dbraw/zinc/21/21/02/1119212102.db2.gz LCAVADYFNBSWKY-LJQANCHMSA-N 2 1 299.462 3.925 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)C2(C)CC2)cc1F ZINC000153725252 1119282160 /nfs/dbraw/zinc/28/21/60/1119282160.db2.gz QEQIADLNYAWZPR-GFCCVEGCSA-N 2 1 287.382 3.598 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC23CC3)CC[N@@H+]1Cc1ccccc1 ZINC000583576114 1119378810 /nfs/dbraw/zinc/37/88/10/1119378810.db2.gz DVOOAVSQESDEJH-QRQLOZEOSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC23CC3)CC[N@H+]1Cc1ccccc1 ZINC000583576114 1119378812 /nfs/dbraw/zinc/37/88/12/1119378812.db2.gz DVOOAVSQESDEJH-QRQLOZEOSA-N 2 1 298.474 3.962 20 0 CHADMP Cc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657799754 1119424346 /nfs/dbraw/zinc/42/43/46/1119424346.db2.gz YUGNENWILYIACM-FCEWJHQRSA-N 2 1 284.447 3.589 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@H](CC)c2ccccc2F)CC1 ZINC000168748814 1119474712 /nfs/dbraw/zinc/47/47/12/1119474712.db2.gz LOQGIMRGJVVDSE-QGZVFWFLSA-N 2 1 278.415 3.741 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCCSCC2)C1 ZINC000657838470 1119496287 /nfs/dbraw/zinc/49/62/87/1119496287.db2.gz BMYBCSCMLHBERZ-BBWFWOEESA-N 2 1 298.540 3.620 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCC23CC3)cc1F ZINC000657849855 1119510379 /nfs/dbraw/zinc/51/03/79/1119510379.db2.gz CUTNXTUHOQYWNM-KRWDZBQOSA-N 2 1 299.393 3.742 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000708527390 1119520927 /nfs/dbraw/zinc/52/09/27/1119520927.db2.gz COPBKJFCQFWGTE-RACLHMPKSA-N 2 1 298.474 3.533 20 0 CHADMP C[C@H](CC1CCC1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000128073469 1119537943 /nfs/dbraw/zinc/53/79/43/1119537943.db2.gz FZBCKGQJFBZHSY-MRXNPFEDSA-N 2 1 286.463 3.819 20 0 CHADMP CC(C)C1CCC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000090576673 1119547207 /nfs/dbraw/zinc/54/72/07/1119547207.db2.gz PDGJRKSINBDOLA-OPQOLIRYSA-N 2 1 278.484 3.665 20 0 CHADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@@H]2CCCC[C@@H]2C)C1 ZINC001648920961 1119606814 /nfs/dbraw/zinc/60/68/14/1119606814.db2.gz LHMWEDDWBALZEI-IKGGRYGDSA-N 2 1 280.500 3.913 20 0 CHADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@@H]2CCCC[C@@H]2C)C1 ZINC001648920961 1119606818 /nfs/dbraw/zinc/60/68/18/1119606818.db2.gz LHMWEDDWBALZEI-IKGGRYGDSA-N 2 1 280.500 3.913 20 0 CHADMP CCC1(C)CCC([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000685455720 1119610623 /nfs/dbraw/zinc/61/06/23/1119610623.db2.gz TXYPBLDYXBHGRS-KLAILNCOSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1cc(Cl)ccc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000685470665 1119612211 /nfs/dbraw/zinc/61/22/11/1119612211.db2.gz FUWHRUYYXLZPAO-DOTOQJQBSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000685470665 1119612213 /nfs/dbraw/zinc/61/22/13/1119612213.db2.gz FUWHRUYYXLZPAO-DOTOQJQBSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000685470665 1119612215 /nfs/dbraw/zinc/61/22/15/1119612215.db2.gz FUWHRUYYXLZPAO-DOTOQJQBSA-N 2 1 292.854 3.565 20 0 CHADMP CCCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCC1 ZINC000685469215 1119612463 /nfs/dbraw/zinc/61/24/63/1119612463.db2.gz VVGQWWBALHGLOC-IKGGRYGDSA-N 2 1 264.457 3.562 20 0 CHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)c1cccnc1 ZINC000685469953 1119612709 /nfs/dbraw/zinc/61/27/09/1119612709.db2.gz XUFBYINMCGMJQP-MRXNPFEDSA-N 2 1 297.446 3.726 20 0 CHADMP CCCc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000685470718 1119612798 /nfs/dbraw/zinc/61/27/98/1119612798.db2.gz LBZSUMNTSXDGKY-MOPGFXCFSA-N 2 1 286.463 3.555 20 0 CHADMP CCCc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000685470718 1119612800 /nfs/dbraw/zinc/61/28/00/1119612800.db2.gz LBZSUMNTSXDGKY-MOPGFXCFSA-N 2 1 286.463 3.555 20 0 CHADMP CCCc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000685470718 1119612801 /nfs/dbraw/zinc/61/28/01/1119612801.db2.gz LBZSUMNTSXDGKY-MOPGFXCFSA-N 2 1 286.463 3.555 20 0 CHADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(Cl)c1Cl ZINC000271890229 1119615601 /nfs/dbraw/zinc/61/56/01/1119615601.db2.gz RSJVPYOKURMWRA-LLVKDONJSA-N 2 1 299.245 3.906 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@]2(C)CCCS2)c1 ZINC000628214260 1119627931 /nfs/dbraw/zinc/62/79/31/1119627931.db2.gz QGTWTNGQLMHGPB-QGZVFWFLSA-N 2 1 292.492 3.514 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](CC)Cc1cccs1 ZINC000685666150 1119650281 /nfs/dbraw/zinc/65/02/81/1119650281.db2.gz FYKYUCGVYVQOFW-GJZGRUSLSA-N 2 1 282.497 3.779 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](CC)Cc1cccs1 ZINC000685666150 1119650282 /nfs/dbraw/zinc/65/02/82/1119650282.db2.gz FYKYUCGVYVQOFW-GJZGRUSLSA-N 2 1 282.497 3.779 20 0 CHADMP CC[C@@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(OC)cc1 ZINC000658094055 1119681699 /nfs/dbraw/zinc/68/16/99/1119681699.db2.gz XFSLYMTYDNHKMD-DOTOQJQBSA-N 2 1 290.451 3.609 20 0 CHADMP CC[C@@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(OC)cc1 ZINC000658094055 1119681701 /nfs/dbraw/zinc/68/17/01/1119681701.db2.gz XFSLYMTYDNHKMD-DOTOQJQBSA-N 2 1 290.451 3.609 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000340176108 1119744539 /nfs/dbraw/zinc/74/45/39/1119744539.db2.gz FINAYHVWFUKBSZ-OALUTQOASA-N 2 1 280.415 3.612 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000340176108 1119744544 /nfs/dbraw/zinc/74/45/44/1119744544.db2.gz FINAYHVWFUKBSZ-OALUTQOASA-N 2 1 280.415 3.612 20 0 CHADMP c1ccc2cc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)ccc2c1 ZINC000647483021 1119793375 /nfs/dbraw/zinc/79/33/75/1119793375.db2.gz RTTQJROTWMBNER-UHFFFAOYSA-N 2 1 280.415 3.556 20 0 CHADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC000376006394 1119807490 /nfs/dbraw/zinc/80/74/90/1119807490.db2.gz JCVPKKCBBHZRMY-CSFVBSKPSA-N 2 1 292.854 3.658 20 0 CHADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)CC[N@H+]1C ZINC000376006394 1119807493 /nfs/dbraw/zinc/80/74/93/1119807493.db2.gz JCVPKKCBBHZRMY-CSFVBSKPSA-N 2 1 292.854 3.658 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C[C@@H]3CC=CCC3)C2)cc1 ZINC000309731128 1119833740 /nfs/dbraw/zinc/83/37/40/1119833740.db2.gz PCPONDNOPLACBE-UYAOXDASSA-N 2 1 298.474 3.845 20 0 CHADMP CC(C)(C)CC[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309921476 1119842046 /nfs/dbraw/zinc/84/20/46/1119842046.db2.gz WCDRSGSKFBDRIG-GOSISDBHSA-N 2 1 288.479 3.924 20 0 CHADMP CCCC[C@@H](C)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685852452 1119873297 /nfs/dbraw/zinc/87/32/97/1119873297.db2.gz WKMGUOHFAUECPD-MRXNPFEDSA-N 2 1 292.467 3.638 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1C[C@H]1C ZINC000414073550 1119883051 /nfs/dbraw/zinc/88/30/51/1119883051.db2.gz MFMBFXHSFRNZFS-DLTWYDFYSA-N 2 1 292.492 3.594 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1C[C@H]1C ZINC000414073550 1119883054 /nfs/dbraw/zinc/88/30/54/1119883054.db2.gz MFMBFXHSFRNZFS-DLTWYDFYSA-N 2 1 292.492 3.594 20 0 CHADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC001258162174 1128875762 /nfs/dbraw/zinc/87/57/62/1128875762.db2.gz IHTDNTAGMXLGCZ-NNXHMXCWSA-N 2 1 266.473 3.520 20 0 CHADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000414170437 1119925398 /nfs/dbraw/zinc/92/53/98/1119925398.db2.gz CAMWFAHNJFHGGX-YOEHRIQHSA-N 2 1 278.415 3.598 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C(C)(C)c1ccccc1 ZINC000414177081 1119927907 /nfs/dbraw/zinc/92/79/07/1119927907.db2.gz JMFMJZFWOXJBAY-DLBZAZTESA-N 2 1 288.479 3.674 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1csc(Cl)c1 ZINC000414183233 1119929712 /nfs/dbraw/zinc/92/97/12/1119929712.db2.gz NCQFHFPEOSRGPR-NEPJUHHUSA-N 2 1 286.872 3.784 20 0 CHADMP CC1(C)CCC(C)(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000414258898 1119959089 /nfs/dbraw/zinc/95/90/89/1119959089.db2.gz XSOOMNZBXICQQB-HZPDHXFCSA-N 2 1 278.484 3.809 20 0 CHADMP C[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)[C@@H]1c1ccccc1 ZINC000472590619 1119989236 /nfs/dbraw/zinc/98/92/36/1119989236.db2.gz GTRYHWVICPDSGD-NJAFHUGGSA-N 2 1 272.436 3.554 20 0 CHADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)[C@@H]1c1ccccc1 ZINC000472590619 1119989239 /nfs/dbraw/zinc/98/92/39/1119989239.db2.gz GTRYHWVICPDSGD-NJAFHUGGSA-N 2 1 272.436 3.554 20 0 CHADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)[C@@H]1c1ccccc1 ZINC000472590619 1119989241 /nfs/dbraw/zinc/98/92/41/1119989241.db2.gz GTRYHWVICPDSGD-NJAFHUGGSA-N 2 1 272.436 3.554 20 0 CHADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)[C@@H]1c1ccccc1 ZINC000472590619 1119989243 /nfs/dbraw/zinc/98/92/43/1119989243.db2.gz GTRYHWVICPDSGD-NJAFHUGGSA-N 2 1 272.436 3.554 20 0 CHADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647544547 1120004401 /nfs/dbraw/zinc/00/44/01/1120004401.db2.gz RPNZQCWIAJJQBD-MUGJNUQGSA-N 2 1 298.474 3.502 20 0 CHADMP Clc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647543221 1120005030 /nfs/dbraw/zinc/00/50/30/1120005030.db2.gz JQVZKISHFQNFTH-CHWSQXEVSA-N 2 1 298.883 3.613 20 0 CHADMP CC(C)[N@H+](C)C[C@@H](C)Nc1cc[nH+]c2cc(F)ccc12 ZINC000685925779 1120010885 /nfs/dbraw/zinc/01/08/85/1120010885.db2.gz ARTAMENCGNGORQ-GFCCVEGCSA-N 2 1 275.371 3.515 20 0 CHADMP C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccncc1 ZINC000177465775 1120038455 /nfs/dbraw/zinc/03/84/55/1120038455.db2.gz PKAYGRBADRXUCC-DLBZAZTESA-N 2 1 297.446 3.643 20 0 CHADMP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccncc1 ZINC000177465775 1120038458 /nfs/dbraw/zinc/03/84/58/1120038458.db2.gz PKAYGRBADRXUCC-DLBZAZTESA-N 2 1 297.446 3.643 20 0 CHADMP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624119503 1120051809 /nfs/dbraw/zinc/05/18/09/1120051809.db2.gz DGAGCGGXFAHHBB-HRCADAONSA-N 2 1 254.462 3.523 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000204973736 1120062845 /nfs/dbraw/zinc/06/28/45/1120062845.db2.gz PYNWHOMNBXDSEH-GOSISDBHSA-N 2 1 297.446 3.619 20 0 CHADMP CC(C)CCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120781 1120065760 /nfs/dbraw/zinc/06/57/60/1120065760.db2.gz GWJCFKLOZJORDE-HZPDHXFCSA-N 2 1 254.462 3.523 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccoc1 ZINC000378160166 1120112297 /nfs/dbraw/zinc/11/22/97/1120112297.db2.gz IDTAPJPHPWDMBU-FUHWJXTLSA-N 2 1 298.430 3.842 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccoc1 ZINC000378160166 1120112298 /nfs/dbraw/zinc/11/22/98/1120112298.db2.gz IDTAPJPHPWDMBU-FUHWJXTLSA-N 2 1 298.430 3.842 20 0 CHADMP CC[C@@H]1CCC[NH+](C/C=C/C[N@@H+]2CCC[C@H](CC)C2)C1 ZINC000613628967 1120133194 /nfs/dbraw/zinc/13/31/94/1120133194.db2.gz IKMANBMAKNIUQK-FBLDJFESSA-N 2 1 278.484 3.787 20 0 CHADMP CC[C@@H]1CCC[N@@H+](C/C=C/C[NH+]2CCC[C@H](CC)C2)C1 ZINC000613628967 1120133196 /nfs/dbraw/zinc/13/31/96/1120133196.db2.gz IKMANBMAKNIUQK-FBLDJFESSA-N 2 1 278.484 3.787 20 0 CHADMP CC[C@@H]1CCC[N@H+](C/C=C/C[NH+]2CCC[C@H](CC)C2)C1 ZINC000613628967 1120133197 /nfs/dbraw/zinc/13/31/97/1120133197.db2.gz IKMANBMAKNIUQK-FBLDJFESSA-N 2 1 278.484 3.787 20 0 CHADMP Cc1ccccc1[C@@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000472668551 1120139396 /nfs/dbraw/zinc/13/93/96/1120139396.db2.gz GWDNTMDAEFKDFM-QZTJIDSGSA-N 2 1 286.463 3.659 20 0 CHADMP Cc1ccccc1[C@@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000472668551 1120139399 /nfs/dbraw/zinc/13/93/99/1120139399.db2.gz GWDNTMDAEFKDFM-QZTJIDSGSA-N 2 1 286.463 3.659 20 0 CHADMP Cc1ccccc1[C@@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000472668551 1120139400 /nfs/dbraw/zinc/13/94/00/1120139400.db2.gz GWDNTMDAEFKDFM-QZTJIDSGSA-N 2 1 286.463 3.659 20 0 CHADMP Cc1cc(NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000309744931 1120150173 /nfs/dbraw/zinc/15/01/73/1120150173.db2.gz TVXPTNZNFGSKMQ-IBGZPJMESA-N 2 1 295.430 3.714 20 0 CHADMP C[C@H](c1ccc(F)cc1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000472763746 1120165257 /nfs/dbraw/zinc/16/52/57/1120165257.db2.gz NIBZMXJGWWIEQP-RHSMWYFYSA-N 2 1 278.415 3.693 20 0 CHADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000472763746 1120165259 /nfs/dbraw/zinc/16/52/59/1120165259.db2.gz NIBZMXJGWWIEQP-RHSMWYFYSA-N 2 1 278.415 3.693 20 0 CHADMP C[C@H](c1ccc(F)cc1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000472763746 1120165261 /nfs/dbraw/zinc/16/52/61/1120165261.db2.gz NIBZMXJGWWIEQP-RHSMWYFYSA-N 2 1 278.415 3.693 20 0 CHADMP C[C@H](c1ccc(F)cc1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000472763746 1120165263 /nfs/dbraw/zinc/16/52/63/1120165263.db2.gz NIBZMXJGWWIEQP-RHSMWYFYSA-N 2 1 278.415 3.693 20 0 CHADMP CC[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)s2)CC[C@@H]1[NH3+] ZINC000166186373 1120232952 /nfs/dbraw/zinc/23/29/52/1120232952.db2.gz LTAYBIVQGPLEFL-JSGCOSHPSA-N 2 1 280.481 3.605 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)CCC2 ZINC000179526206 1120249577 /nfs/dbraw/zinc/24/95/77/1120249577.db2.gz YTXUAEIGBBBYMV-STEAMIEHSA-N 2 1 286.463 3.691 20 0 CHADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000659945180 1120300854 /nfs/dbraw/zinc/30/08/54/1120300854.db2.gz SYPRBKRUEYIMKL-HUUCEWRRSA-N 2 1 288.426 3.618 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000338784359 1120318970 /nfs/dbraw/zinc/31/89/70/1120318970.db2.gz XRXNGGRAHFRWOA-OHDICMOHSA-N 2 1 297.446 3.609 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(SC)c2)C[C@H]1C ZINC000659983005 1120323202 /nfs/dbraw/zinc/32/32/02/1120323202.db2.gz BIHFXNZNAFWQIZ-ZBFHGGJFSA-N 2 1 292.492 3.713 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(SC)c2)C[C@H]1C ZINC000659983005 1120323205 /nfs/dbraw/zinc/32/32/05/1120323205.db2.gz BIHFXNZNAFWQIZ-ZBFHGGJFSA-N 2 1 292.492 3.713 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(SC)c2)C[C@H]1C ZINC000659983005 1120323211 /nfs/dbraw/zinc/32/32/11/1120323211.db2.gz BIHFXNZNAFWQIZ-ZBFHGGJFSA-N 2 1 292.492 3.713 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(SC)c2)C[C@H]1C ZINC000659983005 1120323214 /nfs/dbraw/zinc/32/32/14/1120323214.db2.gz BIHFXNZNAFWQIZ-ZBFHGGJFSA-N 2 1 292.492 3.713 20 0 CHADMP CC(C)[N@@H+](CCC1CC[NH+](C)CC1)Cc1ccccc1 ZINC001207479355 1120373167 /nfs/dbraw/zinc/37/31/67/1120373167.db2.gz GVRCIMQJNYEAOZ-UHFFFAOYSA-N 2 1 274.452 3.629 20 0 CHADMP CC(C)c1cccc(CN2CCC3(CCC[N@H+]3C)CC2)c1 ZINC000660166640 1120410592 /nfs/dbraw/zinc/41/05/92/1120410592.db2.gz BSZJLERAFQRZPB-UHFFFAOYSA-N 2 1 286.463 3.870 20 0 CHADMP CC(C)c1cccc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000660166640 1120410593 /nfs/dbraw/zinc/41/05/93/1120410593.db2.gz BSZJLERAFQRZPB-UHFFFAOYSA-N 2 1 286.463 3.870 20 0 CHADMP CC(C)c1cccc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)c1 ZINC000660166640 1120410594 /nfs/dbraw/zinc/41/05/94/1120410594.db2.gz BSZJLERAFQRZPB-UHFFFAOYSA-N 2 1 286.463 3.870 20 0 CHADMP CC[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)[NH+]1CCCC1 ZINC000417332727 1120429166 /nfs/dbraw/zinc/42/91/66/1120429166.db2.gz XQDADNPEIKWPNL-XUWVNRHRSA-N 2 1 292.492 3.704 20 0 CHADMP CC[C@@H]1c2ccccc2CC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207486447 1120491455 /nfs/dbraw/zinc/49/14/55/1120491455.db2.gz IUCYXUNOPQIVCZ-LJQANCHMSA-N 2 1 286.463 3.728 20 0 CHADMP CC[N@@H+](CCC1CC[NH+](C)CC1)Cc1ccc(C)cc1 ZINC001207487634 1120504487 /nfs/dbraw/zinc/50/44/87/1120504487.db2.gz OZNPQXVXZBAYOT-UHFFFAOYSA-N 2 1 274.452 3.549 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCSC2CCCCC2)C1 ZINC000500078382 1120505422 /nfs/dbraw/zinc/50/54/22/1120505422.db2.gz YSVODLBRPHZPBU-INIZCTEOSA-N 2 1 298.540 3.716 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCSC2CCCCC2)C[C@@H]1C ZINC000500093429 1120508926 /nfs/dbraw/zinc/50/89/26/1120508926.db2.gz SGQOYUCSZTYTOO-HOTGVXAUSA-N 2 1 298.540 3.857 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCSC2CCCCC2)C[C@@H]1C ZINC000500093429 1120508928 /nfs/dbraw/zinc/50/89/28/1120508928.db2.gz SGQOYUCSZTYTOO-HOTGVXAUSA-N 2 1 298.540 3.857 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCSC2CCCCC2)C[C@@H]1C ZINC000500093429 1120508932 /nfs/dbraw/zinc/50/89/32/1120508932.db2.gz SGQOYUCSZTYTOO-HOTGVXAUSA-N 2 1 298.540 3.857 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCSC2CCCCC2)C1 ZINC000500126432 1120516693 /nfs/dbraw/zinc/51/66/93/1120516693.db2.gz SQAYYQQAPMAZQC-MRXNPFEDSA-N 2 1 298.540 3.716 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCSC2CCCCC2)C1 ZINC000500126432 1120516696 /nfs/dbraw/zinc/51/66/96/1120516696.db2.gz SQAYYQQAPMAZQC-MRXNPFEDSA-N 2 1 298.540 3.716 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCSC2CCCCC2)C1 ZINC000500126432 1120516703 /nfs/dbraw/zinc/51/67/03/1120516703.db2.gz SQAYYQQAPMAZQC-MRXNPFEDSA-N 2 1 298.540 3.716 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)[C@@H](C)c1ccccc1 ZINC000543472398 1120529288 /nfs/dbraw/zinc/52/92/88/1120529288.db2.gz FVVAMCGKFCRCFP-RYRKJORJSA-N 2 1 274.452 3.643 20 0 CHADMP C[C@H]1CCc2ccccc2[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000651491993 1120545994 /nfs/dbraw/zinc/54/59/94/1120545994.db2.gz FVTSBRICBUBYKG-HNAYVOBHSA-N 2 1 286.463 3.774 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCc2ccccc21 ZINC000019913089 1120549304 /nfs/dbraw/zinc/54/93/04/1120549304.db2.gz AULFMTJKMCQIKL-MAUKXSAKSA-N 2 1 272.436 3.528 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000226331364 1120552390 /nfs/dbraw/zinc/55/23/90/1120552390.db2.gz OSHYQKXHZFCEJG-OAHLLOKOSA-N 2 1 254.462 3.665 20 0 CHADMP CC[C@@H](c1ccc(Cl)cc1)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000428997009 1120605780 /nfs/dbraw/zinc/60/57/80/1120605780.db2.gz DYIBECZQAMXDOK-IRXDYDNUSA-N 2 1 292.854 3.819 20 0 CHADMP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000428997009 1120605783 /nfs/dbraw/zinc/60/57/83/1120605783.db2.gz DYIBECZQAMXDOK-IRXDYDNUSA-N 2 1 292.854 3.819 20 0 CHADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000428997009 1120605786 /nfs/dbraw/zinc/60/57/86/1120605786.db2.gz DYIBECZQAMXDOK-IRXDYDNUSA-N 2 1 292.854 3.819 20 0 CHADMP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000428997009 1120605788 /nfs/dbraw/zinc/60/57/88/1120605788.db2.gz DYIBECZQAMXDOK-IRXDYDNUSA-N 2 1 292.854 3.819 20 0 CHADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000429017187 1120616982 /nfs/dbraw/zinc/61/69/82/1120616982.db2.gz DUAZEDRIBQACLK-QFBILLFUSA-N 2 1 286.463 3.899 20 0 CHADMP CC(C)c1ccc([C@H](C)[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000429017187 1120616985 /nfs/dbraw/zinc/61/69/85/1120616985.db2.gz DUAZEDRIBQACLK-QFBILLFUSA-N 2 1 286.463 3.899 20 0 CHADMP CC(C)c1ccc([C@H](C)[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000429017187 1120616987 /nfs/dbraw/zinc/61/69/87/1120616987.db2.gz DUAZEDRIBQACLK-QFBILLFUSA-N 2 1 286.463 3.899 20 0 CHADMP CC[C@H](N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cccc(Cl)c1 ZINC000673627253 1120626181 /nfs/dbraw/zinc/62/61/81/1120626181.db2.gz KBJIMDJDTZSSOE-SJORKVTESA-N 2 1 292.854 3.865 20 0 CHADMP CC(C)CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000429044224 1120627056 /nfs/dbraw/zinc/62/70/56/1120627056.db2.gz CJSSUAPMQNBFLF-IBGZPJMESA-N 2 1 288.479 3.877 20 0 CHADMP CC(C)CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000429044224 1120627059 /nfs/dbraw/zinc/62/70/59/1120627059.db2.gz CJSSUAPMQNBFLF-IBGZPJMESA-N 2 1 288.479 3.877 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000300256757 1120635395 /nfs/dbraw/zinc/63/53/95/1120635395.db2.gz IPTFKIQWZTWJFW-NVXWUHKLSA-N 2 1 292.854 3.612 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000300256757 1120635397 /nfs/dbraw/zinc/63/53/97/1120635397.db2.gz IPTFKIQWZTWJFW-NVXWUHKLSA-N 2 1 292.854 3.612 20 0 CHADMP CC1=C(C)C[NH+]([C@@H](C)CC[N@H+]2CCC(C)=C(C)C2)CC1 ZINC000483380212 1120664650 /nfs/dbraw/zinc/66/46/50/1120664650.db2.gz PIOGPBQCCMSOFD-SFHVURJKSA-N 2 1 276.468 3.849 20 0 CHADMP CC1=C(C)C[NH+](CC[C@H](C)[N@@H+]2CCC(C)=C(C)C2)CC1 ZINC000483380212 1120664655 /nfs/dbraw/zinc/66/46/55/1120664655.db2.gz PIOGPBQCCMSOFD-SFHVURJKSA-N 2 1 276.468 3.849 20 0 CHADMP CC1=C(C)C[NH+](CC[C@H](C)[N@H+]2CCC(C)=C(C)C2)CC1 ZINC000483380212 1120664657 /nfs/dbraw/zinc/66/46/57/1120664657.db2.gz PIOGPBQCCMSOFD-SFHVURJKSA-N 2 1 276.468 3.849 20 0 CHADMP CC[C@H](C)C[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000093062710 1128936187 /nfs/dbraw/zinc/93/61/87/1128936187.db2.gz IJZIRMOXIJBFON-HNNXBMFYSA-N 2 1 274.452 3.595 20 0 CHADMP CC[C@H](C)C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000093076733 1128936809 /nfs/dbraw/zinc/93/68/09/1128936809.db2.gz YEGPFYISRPZPOJ-DZKIICNBSA-N 2 1 280.481 3.767 20 0 CHADMP CC[C@H](C)C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000093076733 1128936812 /nfs/dbraw/zinc/93/68/12/1128936812.db2.gz YEGPFYISRPZPOJ-DZKIICNBSA-N 2 1 280.481 3.767 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000124015250 1120817809 /nfs/dbraw/zinc/81/78/09/1120817809.db2.gz DXIZHMIJWRNLLV-KRWDZBQOSA-N 2 1 277.456 3.730 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000124015250 1120817814 /nfs/dbraw/zinc/81/78/14/1120817814.db2.gz DXIZHMIJWRNLLV-KRWDZBQOSA-N 2 1 277.456 3.730 20 0 CHADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC3(CC4CC4)CC3)CC[NH2+]2)cc1 ZINC000925732489 1120834391 /nfs/dbraw/zinc/83/43/91/1120834391.db2.gz BXSKXEDMIOZWMM-ROUUACIJSA-N 2 1 284.447 3.650 20 0 CHADMP c1ccc([C@H]2C[C@@H]([NH2+]CC3(CC4CC4)CC3)CC[NH2+]2)cc1 ZINC000925732490 1120834984 /nfs/dbraw/zinc/83/49/84/1120834984.db2.gz BXSKXEDMIOZWMM-ZWKOTPCHSA-N 2 1 284.447 3.650 20 0 CHADMP CC(C)(C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)CC(F)F ZINC000925734737 1120841761 /nfs/dbraw/zinc/84/17/61/1120841761.db2.gz UIGCEXMVTMNCMT-LSDHHAIUSA-N 2 1 296.405 3.751 20 0 CHADMP CC1(C)C[C@]1(C)C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000925735437 1120843617 /nfs/dbraw/zinc/84/36/17/1120843617.db2.gz ZUBOGHQJVYGYQH-XYJFISCASA-N 2 1 272.436 3.506 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CCCc2cccc(Cl)c2)[C@@H](C)C1 ZINC000246561858 1120874391 /nfs/dbraw/zinc/87/43/91/1120874391.db2.gz XETRPWJTBGWJLA-YOEHRIQHSA-N 2 1 294.870 3.593 20 0 CHADMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1cccc(Cl)c1 ZINC000050953061 1120881841 /nfs/dbraw/zinc/88/18/41/1120881841.db2.gz JKCLHQHPYYHPCI-UHFFFAOYSA-N 2 1 280.843 3.552 20 0 CHADMP C[C@H](c1ccccc1F)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295074 1120920822 /nfs/dbraw/zinc/92/08/22/1120920822.db2.gz DVZSYYILRCWTDN-ZBFHGGJFSA-N 2 1 290.426 3.598 20 0 CHADMP Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c(C)s1 ZINC000662316659 1120925817 /nfs/dbraw/zinc/92/58/17/1120925817.db2.gz LNOYSZGQFUWMRL-MLGOLLRUSA-N 2 1 280.481 3.704 20 0 CHADMP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@@H]4CCCC[C@H]34)CC[NH2+]2)cc1 ZINC000925764896 1120930331 /nfs/dbraw/zinc/93/03/31/1120930331.db2.gz KMIMJIRBTVEGHB-ZWJWXYIHSA-N 2 1 284.447 3.648 20 0 CHADMP CC1(C)C[C@]1([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000663340719 1120939285 /nfs/dbraw/zinc/93/92/85/1120939285.db2.gz DATSSAJUVGKWFA-LMMKCTJWSA-N 2 1 284.447 3.528 20 0 CHADMP c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc(C2CC2)c1 ZINC000663343745 1120940252 /nfs/dbraw/zinc/94/02/52/1120940252.db2.gz DCLQSAVRSPVOKC-SFHVURJKSA-N 2 1 298.474 3.776 20 0 CHADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(C)s1 ZINC000663346558 1120941386 /nfs/dbraw/zinc/94/13/86/1120941386.db2.gz URLHMJJNLNVNDA-MRXNPFEDSA-N 2 1 292.492 3.577 20 0 CHADMP Cc1cc(C)c(-c2ccc(C[NH+](C)C)cc2)c(C)[nH+]1 ZINC001204660645 1120944022 /nfs/dbraw/zinc/94/40/22/1120944022.db2.gz KBRJIHDNWREYQP-UHFFFAOYSA-N 2 1 254.377 3.735 20 0 CHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(Cl)c(Cl)c3)C[C@H]21 ZINC000228472299 1120950262 /nfs/dbraw/zinc/95/02/62/1120950262.db2.gz WPALSLPEZCWDHO-LALPHHSUSA-N 2 1 299.245 3.553 20 0 CHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(Cl)c(Cl)c3)C[C@H]21 ZINC000228472299 1120950265 /nfs/dbraw/zinc/95/02/65/1120950265.db2.gz WPALSLPEZCWDHO-LALPHHSUSA-N 2 1 299.245 3.553 20 0 CHADMP FCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466328 1120980678 /nfs/dbraw/zinc/98/06/78/1120980678.db2.gz RAQGFPNTGVEPIY-BZSNNMDCSA-N 2 1 296.474 3.616 20 0 CHADMP CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C1CCC1 ZINC000663466206 1120981053 /nfs/dbraw/zinc/98/10/53/1120981053.db2.gz PKIPYTHMCCEQGS-SJLPKXTDSA-N 2 1 278.484 3.667 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1Cc2ccc(OC)cc2C1 ZINC001167825428 1120999360 /nfs/dbraw/zinc/99/93/60/1120999360.db2.gz IRLSLIIPZMBQMJ-OAHLLOKOSA-N 2 1 290.451 3.521 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC2(CCCC2)C1 ZINC001167826174 1121000753 /nfs/dbraw/zinc/00/07/53/1121000753.db2.gz OAJLYAXTZYBAPP-MRXNPFEDSA-N 2 1 266.473 3.763 20 0 CHADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(-c2ccccc2F)s1 ZINC000643528411 1121008004 /nfs/dbraw/zinc/00/80/04/1121008004.db2.gz IYFVBNQAMFPLSS-WDEREUQCSA-N 2 1 278.396 3.552 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000300402529 1121018675 /nfs/dbraw/zinc/01/86/75/1121018675.db2.gz ULSJPSOYJNHICZ-GJZGRUSLSA-N 2 1 254.462 3.521 20 0 CHADMP CC[C@@H]1CCCC[N@H+]1[C@H](C)CCC[NH+](CC)CC ZINC001167837818 1121040022 /nfs/dbraw/zinc/04/00/22/1121040022.db2.gz MXWZVJYMYNMDEW-HZPDHXFCSA-N 2 1 254.462 3.761 20 0 CHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H]3CC=CCC3)C2)CC1 ZINC000512178301 1121141983 /nfs/dbraw/zinc/14/19/83/1121141983.db2.gz IVFGOAWYDCSNPR-RTBURBONSA-N 2 1 290.495 3.787 20 0 CHADMP CC(C)Cc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000094901159 1121242658 /nfs/dbraw/zinc/24/26/58/1121242658.db2.gz GMTSVBVBVGYIGQ-DFNIBXOVSA-N 2 1 286.463 3.600 20 0 CHADMP Cc1oc2ccccc2c1C[NH2+]CCC[NH+]1CCCCC1 ZINC000123216301 1121263457 /nfs/dbraw/zinc/26/34/57/1121263457.db2.gz KRCIPVFSOPCEOK-UHFFFAOYSA-N 2 1 286.419 3.707 20 0 CHADMP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000675752431 1121349153 /nfs/dbraw/zinc/34/91/53/1121349153.db2.gz VASYPYWCSHMBOX-XSLAGTTESA-N 2 1 278.484 3.808 20 0 CHADMP CC[C@H](Cc1cccs1)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000675816593 1121366111 /nfs/dbraw/zinc/36/61/11/1121366111.db2.gz ITRSAQYVIDPSHD-DZGCQCFKSA-N 2 1 291.464 3.500 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)o2)CC1 ZINC000432819398 1121386338 /nfs/dbraw/zinc/38/63/38/1121386338.db2.gz XPRPJVAKWUMZNM-KRWDZBQOSA-N 2 1 298.430 3.863 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)o2)CC1 ZINC000432819398 1121386348 /nfs/dbraw/zinc/38/63/48/1121386348.db2.gz XPRPJVAKWUMZNM-KRWDZBQOSA-N 2 1 298.430 3.863 20 0 CHADMP c1ccc2cc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)ccc2c1 ZINC000314701475 1121442149 /nfs/dbraw/zinc/44/21/49/1121442149.db2.gz JTHYPXPOKAWODC-UXHICEINSA-N 2 1 294.442 3.804 20 0 CHADMP C[N@@H+](CCCCCC[NH3+])Cc1ccc(C(F)F)cc1 ZINC000710829151 1121475891 /nfs/dbraw/zinc/47/58/91/1121475891.db2.gz LRAWPQKAAHAFTM-UHFFFAOYSA-N 2 1 270.367 3.575 20 0 CHADMP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CCCCCC[NH3+] ZINC000710843497 1121476041 /nfs/dbraw/zinc/47/60/41/1121476041.db2.gz VCZCIFOBICSXHM-AWEZNQCLSA-N 2 1 274.408 3.945 20 0 CHADMP CC/C=C\CC[N@H+](C)CCCc1nccn1CCC ZINC000429262055 1121486950 /nfs/dbraw/zinc/48/69/50/1121486950.db2.gz STNQHBYEVPPFQU-SREVYHEPSA-N 2 1 263.429 3.514 20 0 CHADMP CC/C=C\CC[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000429262055 1121486954 /nfs/dbraw/zinc/48/69/54/1121486954.db2.gz STNQHBYEVPPFQU-SREVYHEPSA-N 2 1 263.429 3.514 20 0 CHADMP CC/C=C\CC[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000429262055 1121486955 /nfs/dbraw/zinc/48/69/55/1121486955.db2.gz STNQHBYEVPPFQU-SREVYHEPSA-N 2 1 263.429 3.514 20 0 CHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC3(C)CCC3)C2)CC1 ZINC000432941696 1121489602 /nfs/dbraw/zinc/48/96/02/1121489602.db2.gz XJIKOQQZIHRHDB-QGZVFWFLSA-N 2 1 278.484 3.621 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]1C ZINC000322326220 1121610533 /nfs/dbraw/zinc/61/05/33/1121610533.db2.gz KMEZDAHZNGNRIB-RWQQGDIJSA-N 2 1 286.463 3.533 20 0 CHADMP CCC(CC)[N@@H+]([C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001167918414 1121613295 /nfs/dbraw/zinc/61/32/95/1121613295.db2.gz TUKGVSMOLGQLGY-LSZYHPAVSA-N 2 1 264.457 3.545 20 0 CHADMP Cc1ccccc1C[N@@H+]([C@H]1C[C@H]2C[C@H]2C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001167918673 1121615434 /nfs/dbraw/zinc/61/54/34/1121615434.db2.gz LMLHCTKQEHYYFY-YCKXBTPASA-N 2 1 298.474 3.865 20 0 CHADMP [NH3+]CCCCCCC[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000842471478 1121624228 /nfs/dbraw/zinc/62/42/28/1121624228.db2.gz CYJWSTDRKOCLOF-UHFFFAOYSA-N 2 1 278.415 3.699 20 0 CHADMP Cc1ccc([C@@H](C)CC[N@H+]2CCC[C@](C)(C[NH3+])CC2)o1 ZINC001206294282 1121714277 /nfs/dbraw/zinc/71/42/77/1121714277.db2.gz JYMXFFNQIAMBBI-YOEHRIQHSA-N 2 1 278.440 3.533 20 0 CHADMP CC[C@H](C[NH2+]CC1CCC(C(C)C)CC1)[NH+]1CCCC1 ZINC001177223016 1121718453 /nfs/dbraw/zinc/71/84/53/1121718453.db2.gz YVIDRFJRGMHSHM-DAWZGUTISA-N 2 1 280.500 3.913 20 0 CHADMP C[C@@H](C[NH2+]CC1CCCCCC1)[N@H+]1CCCC[C@@H]1C ZINC001177278149 1121723267 /nfs/dbraw/zinc/72/32/67/1121723267.db2.gz SRMNTCBHFDLKFX-HOTGVXAUSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@@H](C[NH2+]CC1CCCCCC1)[N@@H+]1CCCC[C@@H]1C ZINC001177278149 1121723262 /nfs/dbraw/zinc/72/32/62/1121723262.db2.gz SRMNTCBHFDLKFX-HOTGVXAUSA-N 2 1 266.473 3.809 20 0 CHADMP CC[C@H](C[NH2+]CC[N@H+](CC)C(C)C)c1ccccc1 ZINC001177612263 1121742424 /nfs/dbraw/zinc/74/24/24/1121742424.db2.gz UHCJVPLPLMDBNJ-MRXNPFEDSA-N 2 1 262.441 3.500 20 0 CHADMP CC[C@H](C[NH2+]CC[N@@H+](CC)C(C)C)c1ccccc1 ZINC001177612263 1121742431 /nfs/dbraw/zinc/74/24/31/1121742431.db2.gz UHCJVPLPLMDBNJ-MRXNPFEDSA-N 2 1 262.441 3.500 20 0 CHADMP Cc1cc(C)c(/C=C\C[NH2+]C[C@H]2CCC[N@H+](C)C2)c(C)c1 ZINC001177795138 1121751573 /nfs/dbraw/zinc/75/15/73/1121751573.db2.gz OJEMHLGXXCDQPU-GNJLHFKMSA-N 2 1 286.463 3.556 20 0 CHADMP CCC[NH+](CCC)CCC[NH2+]Cc1cnc2ccccc2c1 ZINC000728063350 1121759440 /nfs/dbraw/zinc/75/94/40/1121759440.db2.gz LOWNEGZQAYOPDO-UHFFFAOYSA-N 2 1 299.462 3.837 20 0 CHADMP CC[C@@H]1C[C@H]1C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001178710146 1121809045 /nfs/dbraw/zinc/80/90/45/1121809045.db2.gz VEDIOYPZFJDVLL-MSOLQXFVSA-N 2 1 288.479 3.780 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C[C@@H]1CCC[C@H](CC)C1 ZINC001178836157 1121820972 /nfs/dbraw/zinc/82/09/72/1121820972.db2.gz UOMVLYVUDMVJNB-IXDOHACOSA-N 2 1 268.489 3.913 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H]1CCC[C@H](CC)C1 ZINC001178836157 1121820986 /nfs/dbraw/zinc/82/09/86/1121820986.db2.gz UOMVLYVUDMVJNB-IXDOHACOSA-N 2 1 268.489 3.913 20 0 CHADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000262066819 1129012426 /nfs/dbraw/zinc/01/24/26/1129012426.db2.gz FQEZPCOVUDVCAD-WBVHZDCISA-N 2 1 296.414 3.648 20 0 CHADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000262066809 1129012853 /nfs/dbraw/zinc/01/28/53/1129012853.db2.gz FQEZPCOVUDVCAD-NVXWUHKLSA-N 2 1 296.414 3.648 20 0 CHADMP c1csc([C@@H]2CCC[N@@H+]2CCCC2CC[NH2+]CC2)c1 ZINC000647872582 1121841917 /nfs/dbraw/zinc/84/19/17/1121841917.db2.gz BZYOBPGOYROGHV-HNNXBMFYSA-N 2 1 278.465 3.665 20 0 CHADMP CC[N@@H+](Cc1csc2ccccc12)[C@H]1CCC[NH2+]CC1 ZINC000345195406 1121852683 /nfs/dbraw/zinc/85/26/83/1121852683.db2.gz AWRAQNHHKQOXLA-HNNXBMFYSA-N 2 1 288.460 3.865 20 0 CHADMP CC[C@@H](c1ccccc1)[N@@H+](CC(C)C)C[C@@H]1CC[NH2+]C1 ZINC000647884873 1121905290 /nfs/dbraw/zinc/90/52/90/1121905290.db2.gz CIASHRVMHJOPBL-AEFFLSMTSA-N 2 1 274.452 3.705 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C3CC3)cc2)[C@@H](C)C1 ZINC001179906656 1121928835 /nfs/dbraw/zinc/92/88/35/1121928835.db2.gz ZLGOKHIDONMNLM-HNAYVOBHSA-N 2 1 286.463 3.726 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C3CC3)cc2)[C@@H](C)C1 ZINC001179906656 1121928839 /nfs/dbraw/zinc/92/88/39/1121928839.db2.gz ZLGOKHIDONMNLM-HNAYVOBHSA-N 2 1 286.463 3.726 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C3CC3)cc2)[C@@H](C)C1 ZINC001179906656 1121928848 /nfs/dbraw/zinc/92/88/48/1121928848.db2.gz ZLGOKHIDONMNLM-HNAYVOBHSA-N 2 1 286.463 3.726 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC001179905863 1121929382 /nfs/dbraw/zinc/92/93/82/1121929382.db2.gz OHEHIQBYFXWNOJ-MLHJIOFPSA-N 2 1 280.500 3.865 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC001179905863 1121929388 /nfs/dbraw/zinc/92/93/88/1121929388.db2.gz OHEHIQBYFXWNOJ-MLHJIOFPSA-N 2 1 280.500 3.865 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001179905863 1121929391 /nfs/dbraw/zinc/92/93/91/1121929391.db2.gz OHEHIQBYFXWNOJ-MLHJIOFPSA-N 2 1 280.500 3.865 20 0 CHADMP CCC1CCC([N@@H+](C)CC2CC[NH+](CC)CC2)CC1 ZINC001180386390 1121983408 /nfs/dbraw/zinc/98/34/08/1121983408.db2.gz NZMDKDPSSYESHC-UHFFFAOYSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420304471 1121996573 /nfs/dbraw/zinc/99/65/73/1121996573.db2.gz OOGSFZQAWHLIAN-RVKKMQEKSA-N 2 1 290.426 3.598 20 0 CHADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(Cl)cc1 ZINC000420298419 1121997634 /nfs/dbraw/zinc/99/76/34/1121997634.db2.gz FGCICDYGKSIZJE-AWEZNQCLSA-N 2 1 280.843 3.552 20 0 CHADMP Fc1cccc(C[N@@H+](CC[C@@H]2CC[NH2+]C2)C2CCCC2)c1 ZINC000420301047 1121997873 /nfs/dbraw/zinc/99/78/73/1121997873.db2.gz IIGXSEOWDMZVRB-HNNXBMFYSA-N 2 1 290.426 3.570 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@@H+](CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000420321733 1121999021 /nfs/dbraw/zinc/99/90/21/1121999021.db2.gz RNKAOOPNORXNDH-ZIAGYGMSSA-N 2 1 292.854 3.865 20 0 CHADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1cccc2ccccc21 ZINC000420321336 1122000550 /nfs/dbraw/zinc/00/05/50/1122000550.db2.gz RHTKVBUOISYJRH-MRXNPFEDSA-N 2 1 282.431 3.661 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420325082 1122002029 /nfs/dbraw/zinc/00/20/29/1122002029.db2.gz HYJIPWGXXQEZOR-LZLYRXPVSA-N 2 1 290.426 3.598 20 0 CHADMP CC[N@@H+](Cc1cc(C)co1)Cc1ccc(C[NH+](C)C)cc1 ZINC001181485867 1122061328 /nfs/dbraw/zinc/06/13/28/1122061328.db2.gz KSEKJTAJFMLBKD-UHFFFAOYSA-N 2 1 286.419 3.672 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC001181534045 1122062413 /nfs/dbraw/zinc/06/24/13/1122062413.db2.gz FMDJEYNEVGMMNP-BRSBDYLESA-N 2 1 278.484 3.619 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC001181534045 1122062422 /nfs/dbraw/zinc/06/24/22/1122062422.db2.gz FMDJEYNEVGMMNP-BRSBDYLESA-N 2 1 278.484 3.619 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC001181534045 1122062425 /nfs/dbraw/zinc/06/24/25/1122062425.db2.gz FMDJEYNEVGMMNP-BRSBDYLESA-N 2 1 278.484 3.619 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)C1 ZINC000502281068 1122069740 /nfs/dbraw/zinc/06/97/40/1122069740.db2.gz KOYQVOXIZLJHBD-ZRSRNVLSSA-N 2 1 292.511 3.913 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)c1 ZINC000502286724 1122069856 /nfs/dbraw/zinc/06/98/56/1122069856.db2.gz YLPZJVGARUUXGC-IPMKNSEASA-N 2 1 286.463 3.807 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001203263048 1122078418 /nfs/dbraw/zinc/07/84/18/1122078418.db2.gz FIIKEEAWIXTPLZ-QXAKKESOSA-N 2 1 290.495 3.690 20 0 CHADMP C[N@@H+](CCCCCC[NH3+])Cc1cc(Cl)cc(Cl)c1 ZINC000710748507 1122088601 /nfs/dbraw/zinc/08/86/01/1122088601.db2.gz CVRYTXBZYOOTMD-UHFFFAOYSA-N 2 1 289.250 3.944 20 0 CHADMP Cc1cc(-n2ccnc2)ccc1C[N@H+](C)[C@H]1CC[C@H](C)C1 ZINC000429591002 1122107719 /nfs/dbraw/zinc/10/77/19/1122107719.db2.gz PUHSMGQGUXBRJL-YOEHRIQHSA-N 2 1 283.419 3.801 20 0 CHADMP Cc1cc(-n2ccnc2)ccc1C[N@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000429591000 1122108376 /nfs/dbraw/zinc/10/83/76/1122108376.db2.gz PUHSMGQGUXBRJL-WMLDXEAASA-N 2 1 283.419 3.801 20 0 CHADMP Cc1ccc([C@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)cc1C ZINC000502693817 1122137926 /nfs/dbraw/zinc/13/79/26/1122137926.db2.gz XMKBUYCXKGNKGR-RTBURBONSA-N 2 1 286.463 3.925 20 0 CHADMP Cc1ccc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)cc1C ZINC000502693817 1122137928 /nfs/dbraw/zinc/13/79/28/1122137928.db2.gz XMKBUYCXKGNKGR-RTBURBONSA-N 2 1 286.463 3.925 20 0 CHADMP Cc1ccc([C@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)cc1C ZINC000502693817 1122137931 /nfs/dbraw/zinc/13/79/31/1122137931.db2.gz XMKBUYCXKGNKGR-RTBURBONSA-N 2 1 286.463 3.925 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1C1CCCCC1 ZINC000502717923 1122141700 /nfs/dbraw/zinc/14/17/00/1122141700.db2.gz HOAQLXOLIINWJA-SJORKVTESA-N 2 1 264.457 3.515 20 0 CHADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001182423956 1122152487 /nfs/dbraw/zinc/15/24/87/1122152487.db2.gz MMVSEKHFEGTGJM-IEBWSBKVSA-N 2 1 286.463 3.644 20 0 CHADMP CC(C)[C@@H](c1ccccc1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000502853972 1122152708 /nfs/dbraw/zinc/15/27/08/1122152708.db2.gz DMYMEJGNIJXCGX-ROUUACIJSA-N 2 1 274.452 3.800 20 0 CHADMP CC(C)[C@@H](c1ccccc1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000502853972 1122152710 /nfs/dbraw/zinc/15/27/10/1122152710.db2.gz DMYMEJGNIJXCGX-ROUUACIJSA-N 2 1 274.452 3.800 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000502868969 1122153505 /nfs/dbraw/zinc/15/35/05/1122153505.db2.gz VITPVNDJBZDSID-RVKKMQEKSA-N 2 1 290.426 3.693 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2F)[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000502868969 1122153508 /nfs/dbraw/zinc/15/35/08/1122153508.db2.gz VITPVNDJBZDSID-RVKKMQEKSA-N 2 1 290.426 3.693 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2F)[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000502868969 1122153510 /nfs/dbraw/zinc/15/35/10/1122153510.db2.gz VITPVNDJBZDSID-RVKKMQEKSA-N 2 1 290.426 3.693 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000503094207 1122167848 /nfs/dbraw/zinc/16/78/48/1122167848.db2.gz HUMVELUOYYZYSI-MSOLQXFVSA-N 2 1 286.463 3.596 20 0 CHADMP Cc1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc1C ZINC001204356657 1122193671 /nfs/dbraw/zinc/19/36/71/1122193671.db2.gz CVVRQMRIJDSQGI-UHFFFAOYSA-N 2 1 286.463 3.754 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001182959839 1122197104 /nfs/dbraw/zinc/19/71/04/1122197104.db2.gz MRUQRFXBEYJSKA-RYQLBKOJSA-N 2 1 278.484 3.808 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001182959839 1122197107 /nfs/dbraw/zinc/19/71/07/1122197107.db2.gz MRUQRFXBEYJSKA-RYQLBKOJSA-N 2 1 278.484 3.808 20 0 CHADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc3cc(Cl)ccc3[nH]2)CC1 ZINC001205266464 1122222444 /nfs/dbraw/zinc/22/24/44/1122222444.db2.gz VAESIITUTPPAPB-MRXNPFEDSA-N 2 1 291.826 3.525 20 0 CHADMP C([NH2+][C@H]1CC[C@H]1C1CCC1)[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001183379220 1122222828 /nfs/dbraw/zinc/22/28/28/1122222828.db2.gz KGHWPCBFONGZET-QYZOEREBSA-N 2 1 290.495 3.952 20 0 CHADMP C([NH2+][C@H]1CC[C@H]1C1CCC1)[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001183379220 1122222836 /nfs/dbraw/zinc/22/28/36/1122222836.db2.gz KGHWPCBFONGZET-QYZOEREBSA-N 2 1 290.495 3.952 20 0 CHADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCC(c4ccccc4)CC3)[C@H]2C1 ZINC001184387484 1122272997 /nfs/dbraw/zinc/27/29/97/1122272997.db2.gz LFGSNAGWLOPSSI-TZCBXBLLSA-N 2 1 298.474 3.643 20 0 CHADMP C[N@@H+](Cc1ccc2c(c1)CCCC2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000430071651 1122282635 /nfs/dbraw/zinc/28/26/35/1122282635.db2.gz OUTMCXJVBCFOHJ-YOFSQIOKSA-N 2 1 298.474 3.622 20 0 CHADMP C[NH+](Cc1ccc2c(c1)CCCC2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000430071651 1122282638 /nfs/dbraw/zinc/28/26/38/1122282638.db2.gz OUTMCXJVBCFOHJ-YOFSQIOKSA-N 2 1 298.474 3.622 20 0 CHADMP C[NH+](Cc1ccc2c(c1)CCCC2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000430071651 1122282646 /nfs/dbraw/zinc/28/26/46/1122282646.db2.gz OUTMCXJVBCFOHJ-YOFSQIOKSA-N 2 1 298.474 3.622 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000514222559 1122389513 /nfs/dbraw/zinc/38/95/13/1122389513.db2.gz PLFWZQTYZSUOIU-CYBMUJFWSA-N 2 1 291.464 3.679 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@@H](C(C)C)[C@@H](C)C1 ZINC000509977351 1122399069 /nfs/dbraw/zinc/39/90/69/1122399069.db2.gz NHQMGGMYVMCGEI-UAGQMJEPSA-N 2 1 277.456 3.632 20 0 CHADMP CSc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000281593209 1122410915 /nfs/dbraw/zinc/41/09/15/1122410915.db2.gz LTIWQEPGMDIPMM-BMFZPTHFSA-N 2 1 290.476 3.686 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000514819950 1122455093 /nfs/dbraw/zinc/45/50/93/1122455093.db2.gz GCTGUFLETKGHLJ-XHSDSOJGSA-N 2 1 272.452 3.615 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000514819950 1122455095 /nfs/dbraw/zinc/45/50/95/1122455095.db2.gz GCTGUFLETKGHLJ-XHSDSOJGSA-N 2 1 272.452 3.615 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[C@H]1c1ccccc1)c1c[nH+]ccc1N ZINC000515232736 1122484015 /nfs/dbraw/zinc/48/40/15/1122484015.db2.gz KYVHXRYQASIACG-UAGQMJEPSA-N 2 1 295.430 3.729 20 0 CHADMP CC[N@@H+](CCC[NH2+]C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000435874647 1122494873 /nfs/dbraw/zinc/49/48/73/1122494873.db2.gz MJTZVOXELXNYLJ-GFCCVEGCSA-N 2 1 288.357 3.698 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000436283415 1122530531 /nfs/dbraw/zinc/53/05/31/1122530531.db2.gz UYRUEFJIKDGVAU-QRQLOZEOSA-N 2 1 286.463 3.644 20 0 CHADMP CC1(C)C[C@H](c2ccccc2)[N@@H+](CCCn2ccnc2)C1 ZINC000425543374 1122548009 /nfs/dbraw/zinc/54/80/09/1122548009.db2.gz PELUMVJMGONQGZ-QGZVFWFLSA-N 2 1 283.419 3.746 20 0 CHADMP CCCCC[C@H]([NH2+]C1CC[NH+](C)CC1)C(C)(C)C ZINC000121384510 1122551627 /nfs/dbraw/zinc/55/16/27/1122551627.db2.gz YKFKDISSSSVLNB-HNNXBMFYSA-N 2 1 254.462 3.665 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205539165 1122551942 /nfs/dbraw/zinc/55/19/42/1122551942.db2.gz TYHQALSDFPYWAA-DLBZAZTESA-N 2 1 284.463 3.912 20 0 CHADMP CC1(C)[C@@H]2C[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@@H]21 ZINC001191204708 1122581780 /nfs/dbraw/zinc/58/17/80/1122581780.db2.gz VIFQIYJGSJSOAH-KDURUIRLSA-N 2 1 298.474 3.760 20 0 CHADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC001191259413 1122584690 /nfs/dbraw/zinc/58/46/90/1122584690.db2.gz VMSPCWSVYZXBKZ-BRWVUGGUSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H]1CCCC[C@@H]1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC001191259413 1122584693 /nfs/dbraw/zinc/58/46/93/1122584693.db2.gz VMSPCWSVYZXBKZ-BRWVUGGUSA-N 2 1 266.473 3.619 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205591649 1122639922 /nfs/dbraw/zinc/63/99/22/1122639922.db2.gz NPVJRJKYQWYSEF-MRXNPFEDSA-N 2 1 298.833 3.610 20 0 CHADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@@H+]1[C@H]2C=CC[C@@H]1CC2 ZINC001192428089 1122643430 /nfs/dbraw/zinc/64/34/30/1122643430.db2.gz POCYPHMREJRTAT-VQTJNVASSA-N 2 1 296.458 3.965 20 0 CHADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cc2cc(Cl)ccc2o1 ZINC000425943756 1122672814 /nfs/dbraw/zinc/67/28/14/1122672814.db2.gz SPUGFVZHBZUXHS-NWDGAFQWSA-N 2 1 294.826 3.935 20 0 CHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCCC(C)(C)C1 ZINC000438379526 1122696124 /nfs/dbraw/zinc/69/61/24/1122696124.db2.gz WMVTWGBUGRFKMM-UHFFFAOYSA-N 2 1 298.434 3.588 20 0 CHADMP CC[C@H](C[N@@H+](CC)CC[C@H]1CCC[NH+]1C)c1ccccc1 ZINC001193592261 1122699580 /nfs/dbraw/zinc/69/95/80/1122699580.db2.gz DBMOFCKPNZMFFU-IEBWSBKVSA-N 2 1 288.479 3.986 20 0 CHADMP CC[C@H](C[NH+](CC)CC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001193592261 1122699583 /nfs/dbraw/zinc/69/95/83/1122699583.db2.gz DBMOFCKPNZMFFU-IEBWSBKVSA-N 2 1 288.479 3.986 20 0 CHADMP CC[C@H](C[NH+](CC)CC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001193592261 1122699585 /nfs/dbraw/zinc/69/95/85/1122699585.db2.gz DBMOFCKPNZMFFU-IEBWSBKVSA-N 2 1 288.479 3.986 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2ccc3cccccc2-3)CC[C@H]1C[NH3+] ZINC001205651655 1122742816 /nfs/dbraw/zinc/74/28/16/1122742816.db2.gz HXLIGTGMZIYOBA-RDJZCZTQSA-N 2 1 282.431 3.598 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C(C2CC2)C2CC2)cc1F ZINC000153697497 1129075698 /nfs/dbraw/zinc/07/56/98/1129075698.db2.gz ZTSYOKGSUWMGLO-UHFFFAOYSA-N 2 1 299.393 3.598 20 0 CHADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2CC2CCC(C)(C)CC2)C1 ZINC000518442078 1122757849 /nfs/dbraw/zinc/75/78/49/1122757849.db2.gz SMNVAWRJPSOVSW-IAGOWNOFSA-N 2 1 278.484 3.619 20 0 CHADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CC2CCC(C)(C)CC2)C1 ZINC000518442078 1122757852 /nfs/dbraw/zinc/75/78/52/1122757852.db2.gz SMNVAWRJPSOVSW-IAGOWNOFSA-N 2 1 278.484 3.619 20 0 CHADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CC2CCC(C)(C)CC2)C1 ZINC000518442078 1122757856 /nfs/dbraw/zinc/75/78/56/1122757856.db2.gz SMNVAWRJPSOVSW-IAGOWNOFSA-N 2 1 278.484 3.619 20 0 CHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CC2CCC(C)(C)CC2)C1 ZINC000518442078 1122757862 /nfs/dbraw/zinc/75/78/62/1122757862.db2.gz SMNVAWRJPSOVSW-IAGOWNOFSA-N 2 1 278.484 3.619 20 0 CHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CC2CCC(C)(C)CC2)C1 ZINC000518442078 1122757869 /nfs/dbraw/zinc/75/78/69/1122757869.db2.gz SMNVAWRJPSOVSW-IAGOWNOFSA-N 2 1 278.484 3.619 20 0 CHADMP C=C/C=C/CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001194268360 1122763784 /nfs/dbraw/zinc/76/37/84/1122763784.db2.gz HALGMXGQFABBBD-WUUFJKRQSA-N 2 1 296.458 3.717 20 0 CHADMP C=C/C=C/CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001194268360 1122763788 /nfs/dbraw/zinc/76/37/88/1122763788.db2.gz HALGMXGQFABBBD-WUUFJKRQSA-N 2 1 296.458 3.717 20 0 CHADMP C=C/C=C/CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001194268360 1122763790 /nfs/dbraw/zinc/76/37/90/1122763790.db2.gz HALGMXGQFABBBD-WUUFJKRQSA-N 2 1 296.458 3.717 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](c2ccccc2)C[C@@H]1C ZINC000439325800 1122772177 /nfs/dbraw/zinc/77/21/77/1122772177.db2.gz UBNDUGKWDFNNBY-LPHOPBHVSA-N 2 1 297.446 3.850 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](c2ccccc2)C[C@@H]1C ZINC000439325800 1122772180 /nfs/dbraw/zinc/77/21/80/1122772180.db2.gz UBNDUGKWDFNNBY-LPHOPBHVSA-N 2 1 297.446 3.850 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](c2ccccc2)C[C@H]1C ZINC000439325798 1122772249 /nfs/dbraw/zinc/77/22/49/1122772249.db2.gz UBNDUGKWDFNNBY-APWZRJJASA-N 2 1 297.446 3.850 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](c2ccccc2)C[C@H]1C ZINC000439325798 1122772250 /nfs/dbraw/zinc/77/22/50/1122772250.db2.gz UBNDUGKWDFNNBY-APWZRJJASA-N 2 1 297.446 3.850 20 0 CHADMP c1ccc([C@H]2C[C@@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167965814 1122817471 /nfs/dbraw/zinc/81/74/71/1122817471.db2.gz NGDNLINFNQUUOQ-NOSIKRSBSA-N 2 1 296.458 3.538 20 0 CHADMP Cc1cccc(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167968820 1122851796 /nfs/dbraw/zinc/85/17/96/1122851796.db2.gz VQPPYPPHWIWSDN-YQQQUEKLSA-N 2 1 298.474 3.798 20 0 CHADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000578918582 1122941688 /nfs/dbraw/zinc/94/16/88/1122941688.db2.gz JQXSPCQNFSUIEN-ROUUACIJSA-N 2 1 274.452 3.533 20 0 CHADMP C[N@H+]1CC[C@H]2CN(Cc3cccc(C(C)(C)C)c3)CC[C@@H]21 ZINC001197032846 1122943515 /nfs/dbraw/zinc/94/35/15/1122943515.db2.gz SYAWFTJZIDGSII-WMZOPIPTSA-N 2 1 286.463 3.510 20 0 CHADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(C(C)(C)C)c3)CC[C@@H]21 ZINC001197032846 1122943519 /nfs/dbraw/zinc/94/35/19/1122943519.db2.gz SYAWFTJZIDGSII-WMZOPIPTSA-N 2 1 286.463 3.510 20 0 CHADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc(C(C)(C)C)c3)CC[C@@H]21 ZINC001197032846 1122943522 /nfs/dbraw/zinc/94/35/22/1122943522.db2.gz SYAWFTJZIDGSII-WMZOPIPTSA-N 2 1 286.463 3.510 20 0 CHADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(C(C)(C)C)c3)CC[C@@H]21 ZINC001197032846 1122943525 /nfs/dbraw/zinc/94/35/25/1122943525.db2.gz SYAWFTJZIDGSII-WMZOPIPTSA-N 2 1 286.463 3.510 20 0 CHADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(C(C)(C)C)c3)CC[C@@H]21 ZINC001197032846 1122943526 /nfs/dbraw/zinc/94/35/26/1122943526.db2.gz SYAWFTJZIDGSII-WMZOPIPTSA-N 2 1 286.463 3.510 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)C[C@@H](C)CC(C)C ZINC000507517617 1122960657 /nfs/dbraw/zinc/96/06/57/1122960657.db2.gz YQXNNHOJDRCIAP-ARFHVFGLSA-N 2 1 279.472 3.878 20 0 CHADMP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC[NH+](C(C)C)C(C)C ZINC001198908300 1123016474 /nfs/dbraw/zinc/01/64/74/1123016474.db2.gz OWZZIFJRYCWEMH-SJORKVTESA-N 2 1 266.473 3.687 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCc2c1cccc2C ZINC000164600135 1123020823 /nfs/dbraw/zinc/02/08/23/1123020823.db2.gz NJPLUQRHZDYGJK-SFHVURJKSA-N 2 1 283.419 3.557 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC2CCCC2)[C@@H](C)C1 ZINC000440696464 1123030176 /nfs/dbraw/zinc/03/01/76/1123030176.db2.gz UAWRMTXHSNGDOH-DOTOQJQBSA-N 2 1 266.473 3.619 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000441327759 1123078446 /nfs/dbraw/zinc/07/84/46/1123078446.db2.gz GYKSGEPVBITHHP-INIZCTEOSA-N 2 1 277.456 3.730 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000441327759 1123078449 /nfs/dbraw/zinc/07/84/49/1123078449.db2.gz GYKSGEPVBITHHP-INIZCTEOSA-N 2 1 277.456 3.730 20 0 CHADMP Cc1cccc([C@H](C)[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000441325607 1123078942 /nfs/dbraw/zinc/07/89/42/1123078942.db2.gz CKUIYYACSZAIDR-FUHWJXTLSA-N 2 1 274.452 3.862 20 0 CHADMP Cc1cccc([C@H](C)[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000441325607 1123078947 /nfs/dbraw/zinc/07/89/47/1123078947.db2.gz CKUIYYACSZAIDR-FUHWJXTLSA-N 2 1 274.452 3.862 20 0 CHADMP Cc1cccc([C@H](C)[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000441325607 1123078951 /nfs/dbraw/zinc/07/89/51/1123078951.db2.gz CKUIYYACSZAIDR-FUHWJXTLSA-N 2 1 274.452 3.862 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441342232 1123080127 /nfs/dbraw/zinc/08/01/27/1123080127.db2.gz YDGIDQNXYXRKFQ-QZTJIDSGSA-N 2 1 274.452 3.944 20 0 CHADMP CC[C@H](c1ccccc1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441342232 1123080132 /nfs/dbraw/zinc/08/01/32/1123080132.db2.gz YDGIDQNXYXRKFQ-QZTJIDSGSA-N 2 1 274.452 3.944 20 0 CHADMP CC[C@H](c1ccccc1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441342232 1123080139 /nfs/dbraw/zinc/08/01/39/1123080139.db2.gz YDGIDQNXYXRKFQ-QZTJIDSGSA-N 2 1 274.452 3.944 20 0 CHADMP Cc1cc(F)ccc1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000050577101 1123093475 /nfs/dbraw/zinc/09/34/75/1123093475.db2.gz DBHGBPJYODDBED-UHFFFAOYSA-N 2 1 292.442 3.878 20 0 CHADMP Cc1cc(F)ccc1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000050577101 1123093478 /nfs/dbraw/zinc/09/34/78/1123093478.db2.gz DBHGBPJYODDBED-UHFFFAOYSA-N 2 1 292.442 3.878 20 0 CHADMP CC(C)[N@@H+](CC1CC[NH+](C)CC1)[C@@H](C)c1ccsc1 ZINC000894981092 1123097741 /nfs/dbraw/zinc/09/77/41/1123097741.db2.gz WNFZSCCOOFYMPM-AWEZNQCLSA-N 2 1 280.481 3.861 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C[C@H]1CC=CCC1 ZINC001201423675 1123098271 /nfs/dbraw/zinc/09/82/71/1123098271.db2.gz RKHFGWQSRIHNPJ-OKZBNKHCSA-N 2 1 276.468 3.682 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C[C@H]1CC=CCC1 ZINC001201423675 1123098273 /nfs/dbraw/zinc/09/82/73/1123098273.db2.gz RKHFGWQSRIHNPJ-OKZBNKHCSA-N 2 1 276.468 3.682 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1C[C@H]1CC=CCC1 ZINC001201423675 1123098276 /nfs/dbraw/zinc/09/82/76/1123098276.db2.gz RKHFGWQSRIHNPJ-OKZBNKHCSA-N 2 1 276.468 3.682 20 0 CHADMP CCC[C@H](C)C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001201543255 1123117337 /nfs/dbraw/zinc/11/73/37/1123117337.db2.gz OKMFQJQLDSTWIH-ARFHVFGLSA-N 2 1 292.492 3.548 20 0 CHADMP CC(C)CC[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001201630551 1123129256 /nfs/dbraw/zinc/12/92/56/1123129256.db2.gz VSTNFXUACFUNGB-UHFFFAOYSA-N 2 1 266.473 3.761 20 0 CHADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000430699621 1123165686 /nfs/dbraw/zinc/16/56/86/1123165686.db2.gz QAJWBQZOVRUZLQ-XJNFMUPTSA-N 2 1 277.456 3.632 20 0 CHADMP c1ccc2c(c1)CC[N@@H+](C1CC[NH+](CC3CCCC3)CC1)C2 ZINC001202178430 1123181978 /nfs/dbraw/zinc/18/19/78/1123181978.db2.gz PWZMFQUZAJWKCO-UHFFFAOYSA-N 2 1 298.474 3.699 20 0 CHADMP c1ccc2c(c1)CC[N@H+](C1CC[NH+](CC3CCCC3)CC1)C2 ZINC001202178430 1123181981 /nfs/dbraw/zinc/18/19/81/1123181981.db2.gz PWZMFQUZAJWKCO-UHFFFAOYSA-N 2 1 298.474 3.699 20 0 CHADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000269942900 1129107167 /nfs/dbraw/zinc/10/71/67/1129107167.db2.gz GYWXZQZCHBRBHL-FHWLQOOXSA-N 2 1 286.463 3.643 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C2CCC2)cc1 ZINC000427691178 1123241699 /nfs/dbraw/zinc/24/16/99/1123241699.db2.gz SSKPJXKXSUVHII-ZYSHUDEJSA-N 2 1 286.463 3.909 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C2CCC2)cc1 ZINC000427691178 1123241703 /nfs/dbraw/zinc/24/17/03/1123241703.db2.gz SSKPJXKXSUVHII-ZYSHUDEJSA-N 2 1 286.463 3.909 20 0 CHADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(C(F)F)nc1 ZINC000850440414 1123266917 /nfs/dbraw/zinc/26/69/17/1123266917.db2.gz XHTMYKXQTUDWTO-UBHSHLNASA-N 2 1 297.393 3.543 20 0 CHADMP CCC(CC)[C@@H](C[NH2+]C1CCC(C(F)F)CC1)[NH+](C)C ZINC000442718474 1123335878 /nfs/dbraw/zinc/33/58/78/1123335878.db2.gz OWRNFNDKFIWRQA-YMAMQOFZSA-N 2 1 290.442 3.766 20 0 CHADMP C[C@@H]([NH2+]C[C@@]1(c2ccccc2)CC1(C)C)c1c[nH+]ccc1N ZINC000665299588 1123349028 /nfs/dbraw/zinc/34/90/28/1123349028.db2.gz PTBWQGDCECSTPV-AUUYWEPGSA-N 2 1 295.430 3.513 20 0 CHADMP Cc1cc(C)c([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1C ZINC000271833411 1129115884 /nfs/dbraw/zinc/11/58/84/1129115884.db2.gz FKOYOCJBLMLOBR-MRXNPFEDSA-N 2 1 272.436 3.524 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1(C)CC1 ZINC000163260733 1129116914 /nfs/dbraw/zinc/11/69/14/1129116914.db2.gz WILCCYCJJUFVPE-SOLBZPMBSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1(C)CC1 ZINC000163260733 1129116915 /nfs/dbraw/zinc/11/69/15/1129116915.db2.gz WILCCYCJJUFVPE-SOLBZPMBSA-N 2 1 286.463 3.818 20 0 CHADMP CCC[N@H+](CC)CC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000474041204 1123363545 /nfs/dbraw/zinc/36/35/45/1123363545.db2.gz GISFUTGMIRHGNP-ZDUSSCGKSA-N 2 1 276.415 3.522 20 0 CHADMP CCC[N@@H+](CC)CC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000474041204 1123363547 /nfs/dbraw/zinc/36/35/47/1123363547.db2.gz GISFUTGMIRHGNP-ZDUSSCGKSA-N 2 1 276.415 3.522 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000191102498 1123375086 /nfs/dbraw/zinc/37/50/86/1123375086.db2.gz XOUQIBAWHVGQRG-NSHDSACASA-N 2 1 274.861 3.784 20 0 CHADMP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1csc(Cl)c1 ZINC000191103277 1123375471 /nfs/dbraw/zinc/37/54/71/1123375471.db2.gz MRJVCTFEMPTATJ-JTQLQIEISA-N 2 1 274.861 3.640 20 0 CHADMP Cc1nccn1CCC[N@H+](C)Cc1ccc(Cl)c(C)c1 ZINC000349387442 1123417186 /nfs/dbraw/zinc/41/71/86/1123417186.db2.gz VPNUDGLLBYWAEE-UHFFFAOYSA-N 2 1 291.826 3.675 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(Cl)c(C)c1 ZINC000349387442 1123417188 /nfs/dbraw/zinc/41/71/88/1123417188.db2.gz VPNUDGLLBYWAEE-UHFFFAOYSA-N 2 1 291.826 3.675 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(Cl)c(C)c1 ZINC000349387442 1123417189 /nfs/dbraw/zinc/41/71/89/1123417189.db2.gz VPNUDGLLBYWAEE-UHFFFAOYSA-N 2 1 291.826 3.675 20 0 CHADMP CC[N@H+](CCCn1cc[nH+]c1C)Cc1ccc(Cl)s1 ZINC000428283996 1123438426 /nfs/dbraw/zinc/43/84/26/1123438426.db2.gz CVKZZXCSWDAUGR-UHFFFAOYSA-N 2 1 297.855 3.819 20 0 CHADMP CC[N@@H+](CCCn1cc[nH+]c1C)Cc1ccc(Cl)s1 ZINC000428283996 1123438429 /nfs/dbraw/zinc/43/84/29/1123438429.db2.gz CVKZZXCSWDAUGR-UHFFFAOYSA-N 2 1 297.855 3.819 20 0 CHADMP C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157100162 1129121751 /nfs/dbraw/zinc/12/17/51/1129121751.db2.gz GSGYBYLHWORXLW-HOTGVXAUSA-N 2 1 290.426 3.837 20 0 CHADMP C[C@@H](c1ccccc1F)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157100162 1129121753 /nfs/dbraw/zinc/12/17/53/1129121753.db2.gz GSGYBYLHWORXLW-HOTGVXAUSA-N 2 1 290.426 3.837 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](CC(C)C)C2)C1 ZINC001648960399 1123446582 /nfs/dbraw/zinc/44/65/82/1123446582.db2.gz OOEAZWAOQRXKFM-RCCFBDPRSA-N 2 1 280.500 3.913 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H](CC(C)C)C2)C1 ZINC001648960397 1123447077 /nfs/dbraw/zinc/44/70/77/1123447077.db2.gz OOEAZWAOQRXKFM-KURKYZTESA-N 2 1 280.500 3.913 20 0 CHADMP CC[NH+]1CCC([N@H+](C)C[C@@H](c2ccccc2)C(C)C)CC1 ZINC000474122530 1123454977 /nfs/dbraw/zinc/45/49/77/1123454977.db2.gz ZITXOPQNNFVQLX-LJQANCHMSA-N 2 1 288.479 3.842 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](c2ccccc2)C(C)C)CC1 ZINC000474122530 1123454979 /nfs/dbraw/zinc/45/49/79/1123454979.db2.gz ZITXOPQNNFVQLX-LJQANCHMSA-N 2 1 288.479 3.842 20 0 CHADMP CC(C)[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000052419416 1123482419 /nfs/dbraw/zinc/48/24/19/1123482419.db2.gz ZMJMRNIDJPUGDY-UHFFFAOYSA-N 2 1 274.452 3.949 20 0 CHADMP C1=C[C@H](C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000895527281 1123488591 /nfs/dbraw/zinc/48/85/91/1123488591.db2.gz LRRSTOFFPRDHLZ-QRFRQXIXSA-N 2 1 296.458 3.910 20 0 CHADMP C1=C[C@H](C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000895527281 1123488592 /nfs/dbraw/zinc/48/85/92/1123488592.db2.gz LRRSTOFFPRDHLZ-QRFRQXIXSA-N 2 1 296.458 3.910 20 0 CHADMP CC(C)[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000474281877 1123499675 /nfs/dbraw/zinc/49/96/75/1123499675.db2.gz FTRHUJRXGPZWML-WDSOQIARSA-N 2 1 288.479 3.841 20 0 CHADMP CC(C)[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000474281877 1123499677 /nfs/dbraw/zinc/49/96/77/1123499677.db2.gz FTRHUJRXGPZWML-WDSOQIARSA-N 2 1 288.479 3.841 20 0 CHADMP CC(C)[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000474281877 1123499679 /nfs/dbraw/zinc/49/96/79/1123499679.db2.gz FTRHUJRXGPZWML-WDSOQIARSA-N 2 1 288.479 3.841 20 0 CHADMP CC(C)[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000474281877 1123499680 /nfs/dbraw/zinc/49/96/80/1123499680.db2.gz FTRHUJRXGPZWML-WDSOQIARSA-N 2 1 288.479 3.841 20 0 CHADMP CCC1(CC)CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000474423693 1123526134 /nfs/dbraw/zinc/52/61/34/1123526134.db2.gz AZTMJVHGIRSXDT-GDBMZVCRSA-N 2 1 266.473 3.808 20 0 CHADMP CCC1(CC)CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000474423693 1123526136 /nfs/dbraw/zinc/52/61/36/1123526136.db2.gz AZTMJVHGIRSXDT-GDBMZVCRSA-N 2 1 266.473 3.808 20 0 CHADMP CCC1(CC)CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000474432530 1123529001 /nfs/dbraw/zinc/52/90/01/1123529001.db2.gz QWDYGCXGPOMEPP-DLBZAZTESA-N 2 1 278.484 3.952 20 0 CHADMP CC[NH+]1CCC([N@H+](C)Cc2c(C)cc(C)cc2C)CC1 ZINC000157457625 1129128750 /nfs/dbraw/zinc/12/87/50/1129128750.db2.gz UAIIAFATAHPWNZ-UHFFFAOYSA-N 2 1 274.452 3.528 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)Cc2c(C)cc(C)cc2C)CC1 ZINC000157457625 1129128753 /nfs/dbraw/zinc/12/87/53/1129128753.db2.gz UAIIAFATAHPWNZ-UHFFFAOYSA-N 2 1 274.452 3.528 20 0 CHADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000313870182 1129129367 /nfs/dbraw/zinc/12/93/67/1129129367.db2.gz QSRIHCMKEZARSW-KXBFYZLASA-N 2 1 280.415 3.586 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H](c2ccccc2)C(C)C)C1 ZINC000474604003 1123557750 /nfs/dbraw/zinc/55/77/50/1123557750.db2.gz PYMCCEIBJHDQEA-IEBWSBKVSA-N 2 1 288.479 3.748 20 0 CHADMP C[C@@H]1CC[N@H+]1[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168038977 1123559053 /nfs/dbraw/zinc/55/90/53/1123559053.db2.gz AQGNHSLKJBKQKB-XLMAVXFVSA-N 2 1 272.436 3.522 20 0 CHADMP C[C@@H]1CC[NH+]1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168038977 1123559059 /nfs/dbraw/zinc/55/90/59/1123559059.db2.gz AQGNHSLKJBKQKB-XLMAVXFVSA-N 2 1 272.436 3.522 20 0 CHADMP C[C@@H]1CC[NH+]1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168038977 1123559062 /nfs/dbraw/zinc/55/90/62/1123559062.db2.gz AQGNHSLKJBKQKB-XLMAVXFVSA-N 2 1 272.436 3.522 20 0 CHADMP CCCc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000429533505 1123561183 /nfs/dbraw/zinc/56/11/83/1123561183.db2.gz WXEHTPUCTCFCCQ-GOSISDBHSA-N 2 1 274.452 3.555 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](c2ccccc2)C(C)C)C1 ZINC000474633561 1123562911 /nfs/dbraw/zinc/56/29/11/1123562911.db2.gz ZEBDNFBZAIHXDV-HKUYNNGSSA-N 2 1 288.479 3.748 20 0 CHADMP Cc1cc(C)c(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(C)c1 ZINC000429533152 1123563477 /nfs/dbraw/zinc/56/34/77/1123563477.db2.gz ZICLNDPGPQVAAD-KRWDZBQOSA-N 2 1 274.452 3.528 20 0 CHADMP CCC[N@H+](C)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168040970 1123571545 /nfs/dbraw/zinc/57/15/45/1123571545.db2.gz PLXXPGAYFATXGW-ALXJQNPVSA-N 2 1 274.452 3.770 20 0 CHADMP CCC[N@@H+](C)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168040970 1123571550 /nfs/dbraw/zinc/57/15/50/1123571550.db2.gz PLXXPGAYFATXGW-ALXJQNPVSA-N 2 1 274.452 3.770 20 0 CHADMP CCC[NH+](C)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168040970 1123571555 /nfs/dbraw/zinc/57/15/55/1123571555.db2.gz PLXXPGAYFATXGW-ALXJQNPVSA-N 2 1 274.452 3.770 20 0 CHADMP CCC[NH+](C)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168040970 1123571560 /nfs/dbraw/zinc/57/15/60/1123571560.db2.gz PLXXPGAYFATXGW-ALXJQNPVSA-N 2 1 274.452 3.770 20 0 CHADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000474706728 1123574218 /nfs/dbraw/zinc/57/42/18/1123574218.db2.gz HSRRHJFCBNHWDM-JYJNAYRXSA-N 2 1 292.467 3.507 20 0 CHADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000474706728 1123574221 /nfs/dbraw/zinc/57/42/21/1123574221.db2.gz HSRRHJFCBNHWDM-JYJNAYRXSA-N 2 1 292.467 3.507 20 0 CHADMP C[C@@H]1CC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168042285 1123594737 /nfs/dbraw/zinc/59/47/37/1123594737.db2.gz YSJPKNMLOFXEDC-VXIBKDFQSA-N 2 1 286.463 3.770 20 0 CHADMP C[C@@H]1CC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168042285 1123594740 /nfs/dbraw/zinc/59/47/40/1123594740.db2.gz YSJPKNMLOFXEDC-VXIBKDFQSA-N 2 1 286.463 3.770 20 0 CHADMP C[C@@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168042285 1123594742 /nfs/dbraw/zinc/59/47/42/1123594742.db2.gz YSJPKNMLOFXEDC-VXIBKDFQSA-N 2 1 286.463 3.770 20 0 CHADMP C[C@@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168042285 1123594743 /nfs/dbraw/zinc/59/47/43/1123594743.db2.gz YSJPKNMLOFXEDC-VXIBKDFQSA-N 2 1 286.463 3.770 20 0 CHADMP CC[N@@H+](C1CC1)C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1 ZINC001168042391 1123595448 /nfs/dbraw/zinc/59/54/48/1123595448.db2.gz ZKISPWIOFQFBTR-HZPDHXFCSA-N 2 1 286.463 3.912 20 0 CHADMP CC[N@H+](C1CC1)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168042391 1123595450 /nfs/dbraw/zinc/59/54/50/1123595450.db2.gz ZKISPWIOFQFBTR-HZPDHXFCSA-N 2 1 286.463 3.912 20 0 CHADMP CC[N@@H+](C1CC1)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168042391 1123595451 /nfs/dbraw/zinc/59/54/51/1123595451.db2.gz ZKISPWIOFQFBTR-HZPDHXFCSA-N 2 1 286.463 3.912 20 0 CHADMP C[C@H]1CCC[N@@H+]1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168042592 1123595649 /nfs/dbraw/zinc/59/56/49/1123595649.db2.gz ZTSGWZMMTLMTCA-GVDBMIGSSA-N 2 1 286.463 3.912 20 0 CHADMP C[C@H]1CCC[N@H+]1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168042592 1123595652 /nfs/dbraw/zinc/59/56/52/1123595652.db2.gz ZTSGWZMMTLMTCA-GVDBMIGSSA-N 2 1 286.463 3.912 20 0 CHADMP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000474824344 1123595673 /nfs/dbraw/zinc/59/56/73/1123595673.db2.gz ZFSICHNTKAWOCQ-BHIYHBOVSA-N 2 1 288.479 3.889 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)s1 ZINC000858106879 1123631819 /nfs/dbraw/zinc/63/18/19/1123631819.db2.gz CICXDQKOTPINGE-CHWSQXEVSA-N 2 1 266.454 3.580 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000858106879 1123631823 /nfs/dbraw/zinc/63/18/23/1123631823.db2.gz CICXDQKOTPINGE-CHWSQXEVSA-N 2 1 266.454 3.580 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccc(Cl)cc1)C(C)C ZINC000346353160 1123680943 /nfs/dbraw/zinc/68/09/43/1123680943.db2.gz RDXVYYNTIVTTDD-MRXNPFEDSA-N 2 1 291.826 3.832 20 0 CHADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000158128049 1129139726 /nfs/dbraw/zinc/13/97/26/1129139726.db2.gz OXJSLSKADDNPOP-JSGCOSHPSA-N 2 1 295.496 3.567 20 0 CHADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000158128049 1129139727 /nfs/dbraw/zinc/13/97/27/1129139727.db2.gz OXJSLSKADDNPOP-JSGCOSHPSA-N 2 1 295.496 3.567 20 0 CHADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000346693798 1123707156 /nfs/dbraw/zinc/70/71/56/1123707156.db2.gz PSWJWPMRSZPLPD-WMLDXEAASA-N 2 1 298.405 3.662 20 0 CHADMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1Cl ZINC000443985847 1123718784 /nfs/dbraw/zinc/71/87/84/1123718784.db2.gz ZYGQUZVJRXHDCE-MRXNPFEDSA-N 2 1 294.870 3.858 20 0 CHADMP CCSc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000158157046 1129140938 /nfs/dbraw/zinc/14/09/38/1129140938.db2.gz XTKNUAQTOFUNLM-CABCVRRESA-N 2 1 292.492 3.791 20 0 CHADMP CC[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccc(F)cn1 ZINC000346873623 1123728640 /nfs/dbraw/zinc/72/86/40/1123728640.db2.gz HPUYSQPFAPJHPR-GOEBONIOSA-N 2 1 293.430 3.526 20 0 CHADMP CC[C@@H]([NH2+]CC[C@@H](C)[NH+]1CCCCC1)c1ccc(F)cn1 ZINC000346873622 1123728921 /nfs/dbraw/zinc/72/89/21/1123728921.db2.gz HPUYSQPFAPJHPR-GDBMZVCRSA-N 2 1 293.430 3.526 20 0 CHADMP C[C@@H]([NH3+])c1ccc(-c2ccc(C(F)(F)C[NH3+])cc2)cc1F ZINC000629737598 1123731510 /nfs/dbraw/zinc/73/15/10/1123731510.db2.gz KBHBKUJQGDUURF-SNVBAGLBSA-N 2 1 294.320 3.563 20 0 CHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccccn1 ZINC000347000916 1123738879 /nfs/dbraw/zinc/73/88/79/1123738879.db2.gz UPRDVYFXFJXKBJ-RYRKJORJSA-N 2 1 289.467 3.633 20 0 CHADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000469860034 1123757837 /nfs/dbraw/zinc/75/78/37/1123757837.db2.gz DRITXTWZOYNUOG-KBPBESRZSA-N 2 1 286.444 3.584 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC(C)C)c2cccs2)C1 ZINC000163279693 1129143926 /nfs/dbraw/zinc/14/39/26/1129143926.db2.gz HXWZUZZBHDYOGB-GJZGRUSLSA-N 2 1 280.481 3.767 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000309806617 1123773662 /nfs/dbraw/zinc/77/36/62/1123773662.db2.gz USMWZSDCIACFNJ-RWQQGDIJSA-N 2 1 286.463 3.533 20 0 CHADMP CCC[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccccn1 ZINC000158501071 1129145768 /nfs/dbraw/zinc/14/57/68/1129145768.db2.gz SVXHPXDYMVVJEP-IRXDYDNUSA-N 2 1 289.467 3.777 20 0 CHADMP CCC[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccccn1 ZINC000158501071 1129145770 /nfs/dbraw/zinc/14/57/70/1129145770.db2.gz SVXHPXDYMVVJEP-IRXDYDNUSA-N 2 1 289.467 3.777 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc3ccccc32)CC1 ZINC000429549917 1123822258 /nfs/dbraw/zinc/82/22/58/1123822258.db2.gz QDZKIUNUSASGIK-SFHVURJKSA-N 2 1 282.431 3.756 20 0 CHADMP CC(C)[C@@H](C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000475218632 1123824729 /nfs/dbraw/zinc/82/47/29/1123824729.db2.gz ZERBOVYNGZOLCF-RTBURBONSA-N 2 1 288.479 3.842 20 0 CHADMP C[NH+](C)[C@H]1CCC[C@H](Nc2cc[nH+]c3ccsc32)C1 ZINC000301596492 1123916526 /nfs/dbraw/zinc/91/65/26/1123916526.db2.gz SIKFLYIXJQLWLH-RYUDHWBXSA-N 2 1 275.421 3.581 20 0 CHADMP Cc1cc[nH+]c(NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000301657390 1123921589 /nfs/dbraw/zinc/92/15/89/1123921589.db2.gz VRIPMRVSUZGQJR-UHFFFAOYSA-N 2 1 295.430 3.988 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](CCc2ccccc2)C(C)C)C1 ZINC000163291162 1129154645 /nfs/dbraw/zinc/15/46/45/1129154645.db2.gz USUJAXFABLETAM-MOPGFXCFSA-N 2 1 288.479 3.575 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]c3ccc(C)cc32)C1 ZINC000302181820 1123959860 /nfs/dbraw/zinc/95/98/60/1123959860.db2.gz ZXADJZLQXJOCMP-MRXNPFEDSA-N 2 1 297.446 3.711 20 0 CHADMP Cc1cccc(NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[nH+]1 ZINC000302236440 1123964205 /nfs/dbraw/zinc/96/42/05/1123964205.db2.gz JQOZZFSZTJAFON-GASCZTMLSA-N 2 1 275.440 3.560 20 0 CHADMP Cc1cccc(NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[nH+]1 ZINC000302236440 1123964208 /nfs/dbraw/zinc/96/42/08/1123964208.db2.gz JQOZZFSZTJAFON-GASCZTMLSA-N 2 1 275.440 3.560 20 0 CHADMP Cc1[nH]c2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2c1C ZINC000339071887 1123971566 /nfs/dbraw/zinc/97/15/66/1123971566.db2.gz UVWHKJUZRMXENV-IAGOWNOFSA-N 2 1 297.446 3.501 20 0 CHADMP CC[N@H+](CCC[NH+]1CCCCC1)Cc1cccc(F)c1 ZINC000444591882 1124044193 /nfs/dbraw/zinc/04/41/93/1124044193.db2.gz OLXUTEPHDOSWRR-UHFFFAOYSA-N 2 1 278.415 3.524 20 0 CHADMP CC[N@@H+](CCC[NH+]1CCCCC1)Cc1cccc(F)c1 ZINC000444591882 1124044197 /nfs/dbraw/zinc/04/41/97/1124044197.db2.gz OLXUTEPHDOSWRR-UHFFFAOYSA-N 2 1 278.415 3.524 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)CCc2ccccc2CC)CC1 ZINC000444649405 1124047835 /nfs/dbraw/zinc/04/78/35/1124047835.db2.gz MDJKYFZLNYEIHP-UHFFFAOYSA-N 2 1 288.479 3.598 20 0 CHADMP CC(C)[C@@H]([NH2+]CC[C@@H](C)[NH+]1CCCCC1)c1ccccn1 ZINC000866338549 1124053966 /nfs/dbraw/zinc/05/39/66/1124053966.db2.gz TVJLDGKIBINIIJ-SJLPKXTDSA-N 2 1 289.467 3.633 20 0 CHADMP CC(C)C[C@@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000445576369 1124092013 /nfs/dbraw/zinc/09/20/13/1124092013.db2.gz JYRHSKHXBYQXRL-MRXNPFEDSA-N 2 1 289.467 3.664 20 0 CHADMP [NH3+]CCC[N@@H+]1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000414735270 1129178854 /nfs/dbraw/zinc/17/88/54/1129178854.db2.gz GRWLGFUXHUYVQH-CQSZACIVSA-N 2 1 286.341 3.581 20 0 CHADMP [NH3+]CCC[N@H+]1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000414735270 1129178856 /nfs/dbraw/zinc/17/88/56/1129178856.db2.gz GRWLGFUXHUYVQH-CQSZACIVSA-N 2 1 286.341 3.581 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(Cl)c1 ZINC000447315235 1124462493 /nfs/dbraw/zinc/46/24/93/1124462493.db2.gz YEIRSJBATOVRPC-WBVHZDCISA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(Cl)c1 ZINC000447315235 1124462498 /nfs/dbraw/zinc/46/24/98/1124462498.db2.gz YEIRSJBATOVRPC-WBVHZDCISA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(Cl)c1 ZINC000447315235 1124462501 /nfs/dbraw/zinc/46/25/01/1124462501.db2.gz YEIRSJBATOVRPC-WBVHZDCISA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(Cl)c1 ZINC000447315235 1124462504 /nfs/dbraw/zinc/46/25/04/1124462504.db2.gz YEIRSJBATOVRPC-WBVHZDCISA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c(C)o1 ZINC000447541282 1124484791 /nfs/dbraw/zinc/48/47/91/1124484791.db2.gz GAQMCEHJNMGVOT-GDBMZVCRSA-N 2 1 278.440 3.667 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c(C)o1 ZINC000447541282 1124484794 /nfs/dbraw/zinc/48/47/94/1124484794.db2.gz GAQMCEHJNMGVOT-GDBMZVCRSA-N 2 1 278.440 3.667 20 0 CHADMP C[C@H](C[NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000447816496 1124527289 /nfs/dbraw/zinc/52/72/89/1124527289.db2.gz LEGSVFWNJJMUFB-IKGGRYGDSA-N 2 1 274.452 3.643 20 0 CHADMP C[C@H](C[NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000447816496 1124527296 /nfs/dbraw/zinc/52/72/96/1124527296.db2.gz LEGSVFWNJJMUFB-IKGGRYGDSA-N 2 1 274.452 3.643 20 0 CHADMP CC[N@H+](CC[NH2+]CC[C@@H](C)c1ccccc1)C(C)C ZINC000447814874 1124531086 /nfs/dbraw/zinc/53/10/86/1124531086.db2.gz ANKSOXRJMHMMTR-MRXNPFEDSA-N 2 1 262.441 3.500 20 0 CHADMP CC[N@@H+](CC[NH2+]CC[C@@H](C)c1ccccc1)C(C)C ZINC000447814874 1124531092 /nfs/dbraw/zinc/53/10/92/1124531092.db2.gz ANKSOXRJMHMMTR-MRXNPFEDSA-N 2 1 262.441 3.500 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cccc3ccoc32)C1 ZINC000449132731 1124654568 /nfs/dbraw/zinc/65/45/68/1124654568.db2.gz VZQIATQUXQZVLX-OAHLLOKOSA-N 2 1 286.419 3.643 20 0 CHADMP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)C(C)(C)CC ZINC000872038118 1124662599 /nfs/dbraw/zinc/66/25/99/1124662599.db2.gz ITYSDCVKKILLLZ-OAHLLOKOSA-N 2 1 265.445 3.776 20 0 CHADMP C[C@H]([NH2+]CC1CC(C)(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000528439843 1124667105 /nfs/dbraw/zinc/66/71/05/1124667105.db2.gz IWYCXAUMWLMRHY-GOEBONIOSA-N 2 1 278.484 3.665 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)ccc1F ZINC000449371988 1124704114 /nfs/dbraw/zinc/70/41/14/1124704114.db2.gz AUIPKXLWHZNWJD-CQSZACIVSA-N 2 1 278.415 3.658 20 0 CHADMP CC[C@@H]1CCCC[C@H]1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000449404694 1124728048 /nfs/dbraw/zinc/72/80/48/1124728048.db2.gz DTHAMPMUABAXDR-KGLIPLIRSA-N 2 1 295.496 3.511 20 0 CHADMP CCC[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C(C)(C)C ZINC000449471879 1124751469 /nfs/dbraw/zinc/75/14/69/1124751469.db2.gz PJWGRDLVLDXKFJ-ZDUSSCGKSA-N 2 1 283.485 3.509 20 0 CHADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000873222806 1124752966 /nfs/dbraw/zinc/75/29/66/1124752966.db2.gz CKTJUNFLQZAMAH-CQSZACIVSA-N 2 1 286.872 3.598 20 0 CHADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000873222806 1124752971 /nfs/dbraw/zinc/75/29/71/1124752971.db2.gz CKTJUNFLQZAMAH-CQSZACIVSA-N 2 1 286.872 3.598 20 0 CHADMP CC(C)[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H]1C ZINC000449561271 1124803851 /nfs/dbraw/zinc/80/38/51/1124803851.db2.gz UCDBNUCVUCEQFT-WVDLQDBSSA-N 2 1 278.484 3.662 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc(F)cc2)CC1(C)C ZINC000623399821 1124888349 /nfs/dbraw/zinc/88/83/49/1124888349.db2.gz AVDISETXZLGIFG-INIZCTEOSA-N 2 1 292.442 3.566 20 0 CHADMP CC[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(Cl)c2F)CC[NH2+]1 ZINC001246104633 1131322677 /nfs/dbraw/zinc/32/26/77/1131322677.db2.gz KSWFLXAOBPFQPZ-GRYCIOLGSA-N 2 1 284.806 3.660 20 0 CHADMP c1cc2ccc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cc2[nH]1 ZINC000529529354 1124980440 /nfs/dbraw/zinc/98/04/40/1124980440.db2.gz AHDWBRRGLJEUEK-GOSISDBHSA-N 2 1 297.446 3.618 20 0 CHADMP CC(C)=CCC[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000126347866 1125010167 /nfs/dbraw/zinc/01/01/67/1125010167.db2.gz WYDDUOWXVJGXFB-HNNXBMFYSA-N 2 1 298.434 3.800 20 0 CHADMP C(=C\c1ccccc1)\CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000450429944 1125022034 /nfs/dbraw/zinc/02/20/34/1125022034.db2.gz OGFXQAUBXCEISO-KZIVNFMESA-N 2 1 284.447 3.508 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC/C=C/c2ccccc2)C1 ZINC000450463266 1125028139 /nfs/dbraw/zinc/02/81/39/1125028139.db2.gz NMFGZFIUFNKKET-SSVWKNEZSA-N 2 1 286.463 3.754 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC/C=C/c2ccccc2)C1 ZINC000450463266 1125028146 /nfs/dbraw/zinc/02/81/46/1125028146.db2.gz NMFGZFIUFNKKET-SSVWKNEZSA-N 2 1 286.463 3.754 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC000450463266 1125028153 /nfs/dbraw/zinc/02/81/53/1125028153.db2.gz NMFGZFIUFNKKET-SSVWKNEZSA-N 2 1 286.463 3.754 20 0 CHADMP CC(C)Cc1ccccc1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000530213553 1125133233 /nfs/dbraw/zinc/13/32/33/1125133233.db2.gz WUDNTEOJQDIGPJ-CQSZACIVSA-N 2 1 283.419 3.543 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCOC2CCCCCC2)C[C@H]1C ZINC000531140150 1125196906 /nfs/dbraw/zinc/19/69/06/1125196906.db2.gz AVDJADTUWGOCFR-SJORKVTESA-N 2 1 296.499 3.530 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCOC2CCCCCC2)C[C@H]1C ZINC000531140150 1125196908 /nfs/dbraw/zinc/19/69/08/1125196908.db2.gz AVDJADTUWGOCFR-SJORKVTESA-N 2 1 296.499 3.530 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOC2CCCCCC2)C[C@H]1C ZINC000531140150 1125196912 /nfs/dbraw/zinc/19/69/12/1125196912.db2.gz AVDJADTUWGOCFR-SJORKVTESA-N 2 1 296.499 3.530 20 0 CHADMP CSc1ccc([C@H](C)NCCC[N@@H+](C)C(C)C)cc1F ZINC000532200981 1125239219 /nfs/dbraw/zinc/23/92/19/1125239219.db2.gz ZROXNEJJVVWBHF-ZDUSSCGKSA-N 2 1 298.471 3.929 20 0 CHADMP CSc1ccc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1F ZINC000532200981 1125239224 /nfs/dbraw/zinc/23/92/24/1125239224.db2.gz ZROXNEJJVVWBHF-ZDUSSCGKSA-N 2 1 298.471 3.929 20 0 CHADMP CSc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1F ZINC000532200981 1125239227 /nfs/dbraw/zinc/23/92/27/1125239227.db2.gz ZROXNEJJVVWBHF-ZDUSSCGKSA-N 2 1 298.471 3.929 20 0 CHADMP CCc1cccc(Cl)c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000475714622 1125276462 /nfs/dbraw/zinc/27/64/62/1125276462.db2.gz KUFFBTDMTNTWTN-UHFFFAOYSA-N 2 1 294.870 3.676 20 0 CHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC1CC1 ZINC000398124845 1125335494 /nfs/dbraw/zinc/33/54/94/1125335494.db2.gz HXZMIBSSVMZHFT-LPHOPBHVSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC1CC1 ZINC000398124845 1125335496 /nfs/dbraw/zinc/33/54/96/1125335496.db2.gz HXZMIBSSVMZHFT-LPHOPBHVSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)C ZINC000398173350 1125336531 /nfs/dbraw/zinc/33/65/31/1125336531.db2.gz IKVLIMXWFFLEQZ-DOTOQJQBSA-N 2 1 274.452 3.533 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)C ZINC000398173350 1125336534 /nfs/dbraw/zinc/33/65/34/1125336534.db2.gz IKVLIMXWFFLEQZ-DOTOQJQBSA-N 2 1 274.452 3.533 20 0 CHADMP C[N@@H+](CCC[NH2+]C1CCCCCC1)C1CCCCC1 ZINC000037860319 1125369570 /nfs/dbraw/zinc/36/95/70/1125369570.db2.gz IMDYXLUPXLUCJV-UHFFFAOYSA-N 2 1 266.473 3.953 20 0 CHADMP C[C@@H](CCc1ccco1)[NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000040668713 1125388740 /nfs/dbraw/zinc/38/87/40/1125388740.db2.gz JNEDYONREJPKOW-SOLBZPMBSA-N 2 1 292.467 3.701 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCC(C)(C)c3ccccc32)C1 ZINC000044535557 1125393983 /nfs/dbraw/zinc/39/39/83/1125393983.db2.gz HYABHIAJFLVFJJ-MAUKXSAKSA-N 2 1 286.463 3.731 20 0 CHADMP C[C@H](C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000348238450 1125426726 /nfs/dbraw/zinc/42/67/26/1125426726.db2.gz FGVRFLZVBVHHFW-ZAWLATJESA-N 2 1 286.463 3.500 20 0 CHADMP C[C@H](C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000348238450 1125426729 /nfs/dbraw/zinc/42/67/29/1125426729.db2.gz FGVRFLZVBVHHFW-ZAWLATJESA-N 2 1 286.463 3.500 20 0 CHADMP Cc1nccn1CCC[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000124863013 1125442840 /nfs/dbraw/zinc/44/28/40/1125442840.db2.gz YGTPNJOXYYWHIQ-CYBMUJFWSA-N 2 1 291.826 3.928 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000124863013 1125442842 /nfs/dbraw/zinc/44/28/42/1125442842.db2.gz YGTPNJOXYYWHIQ-CYBMUJFWSA-N 2 1 291.826 3.928 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000124863013 1125442844 /nfs/dbraw/zinc/44/28/44/1125442844.db2.gz YGTPNJOXYYWHIQ-CYBMUJFWSA-N 2 1 291.826 3.928 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000235999321 1125444132 /nfs/dbraw/zinc/44/41/32/1125444132.db2.gz GITDSRGOXANOSE-WBVHZDCISA-N 2 1 292.854 3.612 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000235999321 1125444133 /nfs/dbraw/zinc/44/41/33/1125444133.db2.gz GITDSRGOXANOSE-WBVHZDCISA-N 2 1 292.854 3.612 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC000124966240 1125444153 /nfs/dbraw/zinc/44/41/53/1125444153.db2.gz AXCKBIJNWUXFAD-CYBMUJFWSA-N 2 1 291.826 3.928 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1ccccc1Cl ZINC000124966240 1125444154 /nfs/dbraw/zinc/44/41/54/1125444154.db2.gz AXCKBIJNWUXFAD-CYBMUJFWSA-N 2 1 291.826 3.928 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)CCC2 ZINC001202612365 1125444596 /nfs/dbraw/zinc/44/45/96/1125444596.db2.gz WNAXDCKCOAVGKR-SJLPKXTDSA-N 2 1 286.463 3.835 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000348256326 1125446471 /nfs/dbraw/zinc/44/64/71/1125446471.db2.gz MVSUHOOXYWYUCW-IBGZPJMESA-N 2 1 297.446 3.635 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000348256326 1125446473 /nfs/dbraw/zinc/44/64/73/1125446473.db2.gz MVSUHOOXYWYUCW-IBGZPJMESA-N 2 1 297.446 3.635 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(CC(C)C)cc1 ZINC000348261919 1125448580 /nfs/dbraw/zinc/44/85/80/1125448580.db2.gz HOVIQONFLUJUMK-UHFFFAOYSA-N 2 1 299.462 3.912 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(CC(C)C)cc1 ZINC000348261919 1125448582 /nfs/dbraw/zinc/44/85/82/1125448582.db2.gz HOVIQONFLUJUMK-UHFFFAOYSA-N 2 1 299.462 3.912 20 0 CHADMP CC[N@H+](CCCCn1cc[nH+]c1C)C1CCCCC1 ZINC000125467001 1125449059 /nfs/dbraw/zinc/44/90/59/1125449059.db2.gz CFSCZMKVIGJRRD-UHFFFAOYSA-N 2 1 263.429 3.626 20 0 CHADMP CC[N@@H+](CCCCn1cc[nH+]c1C)C1CCCCC1 ZINC000125467001 1125449061 /nfs/dbraw/zinc/44/90/61/1125449061.db2.gz CFSCZMKVIGJRRD-UHFFFAOYSA-N 2 1 263.429 3.626 20 0 CHADMP CCS[C@H]1CCCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000125512523 1125449265 /nfs/dbraw/zinc/44/92/65/1125449265.db2.gz ZAJWPXPMCXTKEZ-INIZCTEOSA-N 2 1 295.496 3.579 20 0 CHADMP CCS[C@H]1CCCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000125512523 1125449268 /nfs/dbraw/zinc/44/92/68/1125449268.db2.gz ZAJWPXPMCXTKEZ-INIZCTEOSA-N 2 1 295.496 3.579 20 0 CHADMP CC1CC(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000621772118 1129194149 /nfs/dbraw/zinc/19/41/49/1129194149.db2.gz YSFAXZWNHXVZPW-KXWSQRDISA-N 2 1 286.463 3.533 20 0 CHADMP CC1CC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000621772118 1129194151 /nfs/dbraw/zinc/19/41/51/1129194151.db2.gz YSFAXZWNHXVZPW-KXWSQRDISA-N 2 1 286.463 3.533 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(C)(C)C ZINC000165331946 1129215336 /nfs/dbraw/zinc/21/53/36/1129215336.db2.gz VAVFKYCRYUGFTR-SJLPKXTDSA-N 2 1 288.479 3.575 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000638335774 1129254286 /nfs/dbraw/zinc/25/42/86/1129254286.db2.gz RTVZVSMGAYCGCJ-ATZDWAIDSA-N 2 1 297.446 3.611 20 0 CHADMP C[C@H]([NH2+][C@H]1CCC12CCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000282661163 1129275874 /nfs/dbraw/zinc/27/58/74/1129275874.db2.gz INTRYAKMSQNAOE-WDSOQIARSA-N 2 1 298.474 3.819 20 0 CHADMP Cc1ccc([C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000348080622 1129277694 /nfs/dbraw/zinc/27/76/94/1129277694.db2.gz RDJPVFRRVDLTQH-ROUUACIJSA-N 2 1 272.436 3.616 20 0 CHADMP C[C@H](Cc1ccsc1)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639375477 1129309015 /nfs/dbraw/zinc/30/90/15/1129309015.db2.gz WHQXPBYPDKXORZ-OAHLLOKOSA-N 2 1 292.492 3.629 20 0 CHADMP CCC1([NH+](C)C)CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000640017930 1129344957 /nfs/dbraw/zinc/34/49/57/1129344957.db2.gz NGZVAQRQLFQNJO-HNNXBMFYSA-N 2 1 260.425 3.554 20 0 CHADMP CCC1([NH+](C)C)CC[NH+](Cc2ccccc2SC)CC1 ZINC000640017593 1129345281 /nfs/dbraw/zinc/34/52/81/1129345281.db2.gz PEJUDLGTKCRJTK-UHFFFAOYSA-N 2 1 292.492 3.715 20 0 CHADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H]1CCC(F)(F)C1 ZINC000640533087 1129361654 /nfs/dbraw/zinc/36/16/54/1129361654.db2.gz CHNYAJJDGDUDMG-HNNXBMFYSA-N 2 1 288.426 3.620 20 0 CHADMP CC(C)[C@@H](C[NH2+]C[C@@H]1CC=CCC1)[NH+]1CCC(C)CC1 ZINC000642342112 1129415175 /nfs/dbraw/zinc/41/51/75/1129415175.db2.gz KVXPYCMAGFGLCL-QZTJIDSGSA-N 2 1 278.484 3.689 20 0 CHADMP [NH3+]C1CCC(Nc2cc[nH+]c3cc(F)c(Cl)cc23)CC1 ZINC000642998870 1129427001 /nfs/dbraw/zinc/42/70/01/1129427001.db2.gz ZBLTVNNARXHASM-UHFFFAOYSA-N 2 1 293.773 3.709 20 0 CHADMP CC[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cc1F ZINC000643546161 1129445136 /nfs/dbraw/zinc/44/51/36/1129445136.db2.gz JUFCEHIEFCDDNE-XJKSGUPXSA-N 2 1 294.389 3.680 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)s1 ZINC000643546262 1129445222 /nfs/dbraw/zinc/44/52/22/1129445222.db2.gz LMFDTHGYXDKXKC-GHMZBOCLSA-N 2 1 284.856 3.727 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc2ccccc2n1 ZINC000643546063 1129445568 /nfs/dbraw/zinc/44/55/68/1129445568.db2.gz HQBUJWGMHWYQJV-ZBFHGGJFSA-N 2 1 295.430 3.560 20 0 CHADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1CCC(C)(C)C1 ZINC001258598470 1129454955 /nfs/dbraw/zinc/45/49/55/1129454955.db2.gz HLTNIRILNWHCLV-RDJZCZTQSA-N 2 1 274.452 3.662 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@@H+]([C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000796042549 1129465037 /nfs/dbraw/zinc/46/50/37/1129465037.db2.gz VQFKVQVCAMXYAY-NVXWUHKLSA-N 2 1 292.854 3.743 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@H+]([C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000796042549 1129465039 /nfs/dbraw/zinc/46/50/39/1129465039.db2.gz VQFKVQVCAMXYAY-NVXWUHKLSA-N 2 1 292.854 3.743 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@@H+]([C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000796042550 1129465357 /nfs/dbraw/zinc/46/53/57/1129465357.db2.gz VQFKVQVCAMXYAY-RDJZCZTQSA-N 2 1 292.854 3.743 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@H+]([C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000796042550 1129465360 /nfs/dbraw/zinc/46/53/60/1129465360.db2.gz VQFKVQVCAMXYAY-RDJZCZTQSA-N 2 1 292.854 3.743 20 0 CHADMP CCCCC[C@@H](CCC)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001258662571 1129471345 /nfs/dbraw/zinc/47/13/45/1129471345.db2.gz RDXOXJGURVPKPW-HZPDHXFCSA-N 2 1 254.462 3.809 20 0 CHADMP CCCCCC[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000796255714 1129501038 /nfs/dbraw/zinc/50/10/38/1129501038.db2.gz QMPZWYBLVLUTQO-CYBMUJFWSA-N 2 1 283.485 3.653 20 0 CHADMP CC[N@@H+](C)C1CC[NH+]([C@@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC001258705720 1129536862 /nfs/dbraw/zinc/53/68/62/1129536862.db2.gz YIIKRFXBEBCQEB-GOEBONIOSA-N 2 1 266.473 3.617 20 0 CHADMP CCCC[N@@H+](CC)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000743872919 1129543167 /nfs/dbraw/zinc/54/31/67/1129543167.db2.gz DYKCVKHANPVVAS-GOSISDBHSA-N 2 1 274.452 3.631 20 0 CHADMP CCCC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000743872919 1129543171 /nfs/dbraw/zinc/54/31/71/1129543171.db2.gz DYKCVKHANPVVAS-GOSISDBHSA-N 2 1 274.452 3.631 20 0 CHADMP CCCC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000743872919 1129543174 /nfs/dbraw/zinc/54/31/74/1129543174.db2.gz DYKCVKHANPVVAS-GOSISDBHSA-N 2 1 274.452 3.631 20 0 CHADMP C[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647180532 1129555279 /nfs/dbraw/zinc/55/52/79/1129555279.db2.gz GBOXCZZWKDNIJO-NZSAHSFTSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647180532 1129555282 /nfs/dbraw/zinc/55/52/82/1129555282.db2.gz GBOXCZZWKDNIJO-NZSAHSFTSA-N 2 1 298.474 3.962 20 0 CHADMP Cc1ccc(C2([NH2+]C3CC[NH+](C4CC4)CC3)CCC2)cc1 ZINC000647353317 1129574217 /nfs/dbraw/zinc/57/42/17/1129574217.db2.gz VZRDUJYLNKDSHT-UHFFFAOYSA-N 2 1 284.447 3.591 20 0 CHADMP CC[C@H](C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000647479781 1129578369 /nfs/dbraw/zinc/57/83/69/1129578369.db2.gz ULQTXXFKYAFNSR-NZSAHSFTSA-N 2 1 286.463 3.644 20 0 CHADMP C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)C1CCCCCC1 ZINC000647482661 1129578946 /nfs/dbraw/zinc/57/89/46/1129578946.db2.gz WTXFEJBDODHFPI-UHFFFAOYSA-N 2 1 264.457 3.563 20 0 CHADMP Fc1ccc(C[N@@H+](CCCC2CC[NH2+]CC2)C2CC2)cc1 ZINC000647873441 1129586448 /nfs/dbraw/zinc/58/64/48/1129586448.db2.gz KBQSOORFZUWMOX-UHFFFAOYSA-N 2 1 290.426 3.570 20 0 CHADMP c1ccc2c(c1)cccc2[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647882015 1129587071 /nfs/dbraw/zinc/58/70/71/1129587071.db2.gz BKCGBZDCXAPNCL-BEFAXECRSA-N 2 1 280.415 3.586 20 0 CHADMP C[C@H](C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C(C)(C)C ZINC000648068451 1129595882 /nfs/dbraw/zinc/59/58/82/1129595882.db2.gz YXSNGNOCAYNJTC-NXHRZFHOSA-N 2 1 288.479 3.604 20 0 CHADMP CCCCCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000766547653 1129683903 /nfs/dbraw/zinc/68/39/03/1129683903.db2.gz ARIIHVODTGRGDF-HZPDHXFCSA-N 2 1 268.489 3.913 20 0 CHADMP CCCCCC[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099656 1129696972 /nfs/dbraw/zinc/69/69/72/1129696972.db2.gz DHJGFZQQKTUYAM-LVQVYYBASA-N 2 1 252.446 3.560 20 0 CHADMP CC(C)[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001169098616 1129696980 /nfs/dbraw/zinc/69/69/80/1129696980.db2.gz JUKGSLQGCCQLDH-ZJPYXAASSA-N 2 1 272.436 3.599 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3ccc(Cl)cc31)C2 ZINC001169101359 1129697829 /nfs/dbraw/zinc/69/78/29/1129697829.db2.gz RYGKHKSADXPJGQ-JYYAWHABSA-N 2 1 290.838 3.542 20 0 CHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1c1cccs1)C2 ZINC001169139940 1129700312 /nfs/dbraw/zinc/70/03/12/1129700312.db2.gz GJEIZDZTDOBZQW-CBBWQLFWSA-N 2 1 276.449 3.510 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1c1cccs1)C2 ZINC001169139940 1129700314 /nfs/dbraw/zinc/70/03/14/1129700314.db2.gz GJEIZDZTDOBZQW-CBBWQLFWSA-N 2 1 276.449 3.510 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]1c1cccs1)C2 ZINC001169139940 1129700317 /nfs/dbraw/zinc/70/03/17/1129700317.db2.gz GJEIZDZTDOBZQW-CBBWQLFWSA-N 2 1 276.449 3.510 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]1c1cccs1)C2 ZINC001169139940 1129700320 /nfs/dbraw/zinc/70/03/20/1129700320.db2.gz GJEIZDZTDOBZQW-CBBWQLFWSA-N 2 1 276.449 3.510 20 0 CHADMP CCCC1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169108865 1129703258 /nfs/dbraw/zinc/70/32/58/1129703258.db2.gz DJYYQHQSKDRCPY-NWJOVSIXSA-N 2 1 264.457 3.560 20 0 CHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H]1c1ccccc1F)C2 ZINC001169141021 1129704638 /nfs/dbraw/zinc/70/46/38/1129704638.db2.gz NZYKPOOTHUDCHW-BORJPKMPSA-N 2 1 288.410 3.588 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H]1c1ccccc1F)C2 ZINC001169141021 1129704639 /nfs/dbraw/zinc/70/46/39/1129704639.db2.gz NZYKPOOTHUDCHW-BORJPKMPSA-N 2 1 288.410 3.588 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]1c1ccccc1F)C2 ZINC001169141021 1129704642 /nfs/dbraw/zinc/70/46/42/1129704642.db2.gz NZYKPOOTHUDCHW-BORJPKMPSA-N 2 1 288.410 3.588 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H]1c1ccccc1F)C2 ZINC001169141021 1129704644 /nfs/dbraw/zinc/70/46/44/1129704644.db2.gz NZYKPOOTHUDCHW-BORJPKMPSA-N 2 1 288.410 3.588 20 0 CHADMP Cc1cc([NH2+][C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)ccc1N ZINC001169152854 1129705206 /nfs/dbraw/zinc/70/52/06/1129705206.db2.gz RCWKEDIBUVTPFE-RHSMWYFYSA-N 2 1 275.440 3.533 20 0 CHADMP C[N@@H+](Cc1ccc2ccccc2c1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169155517 1129705953 /nfs/dbraw/zinc/70/59/53/1129705953.db2.gz QCSLBGCDUXRVKX-PMOLBWCYSA-N 2 1 294.442 3.897 20 0 CHADMP C[NH+](Cc1ccc2ccccc2c1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169155517 1129705955 /nfs/dbraw/zinc/70/59/55/1129705955.db2.gz QCSLBGCDUXRVKX-PMOLBWCYSA-N 2 1 294.442 3.897 20 0 CHADMP C[NH+](Cc1ccc2ccccc2c1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169155517 1129705957 /nfs/dbraw/zinc/70/59/57/1129705957.db2.gz QCSLBGCDUXRVKX-PMOLBWCYSA-N 2 1 294.442 3.897 20 0 CHADMP CC[NH+]1CCC([NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)CC1 ZINC001169224718 1129710338 /nfs/dbraw/zinc/71/03/38/1129710338.db2.gz MKUYPEJBUJKIHK-AFGAAMFOSA-N 2 1 290.495 3.809 20 0 CHADMP CCCCC1CCC([NH2+]C2CC[NH+](CC)CC2)CC1 ZINC001169233982 1129711247 /nfs/dbraw/zinc/71/12/47/1129711247.db2.gz ZZWSJOALUUIBDA-UHFFFAOYSA-N 2 1 266.473 3.809 20 0 CHADMP CCC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(C)cc1 ZINC001169241899 1129712086 /nfs/dbraw/zinc/71/20/86/1129712086.db2.gz SNTTVVKWXITKRL-GOSISDBHSA-N 2 1 274.452 3.910 20 0 CHADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccccc2C)CC1 ZINC001169251753 1129713138 /nfs/dbraw/zinc/71/31/38/1129713138.db2.gz ZGEDOZCKFZWWOB-GOSISDBHSA-N 2 1 272.436 3.616 20 0 CHADMP CC[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccccc2C)CC1 ZINC001169251753 1129713140 /nfs/dbraw/zinc/71/31/40/1129713140.db2.gz ZGEDOZCKFZWWOB-GOSISDBHSA-N 2 1 272.436 3.616 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCCC[C@H]2C)C1 ZINC000651706118 1129745579 /nfs/dbraw/zinc/74/55/79/1129745579.db2.gz TUBYIHJEDTZSGA-ZACQAIPSSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc2[nH]c[nH+]c2c1 ZINC001169690492 1129747349 /nfs/dbraw/zinc/74/73/49/1129747349.db2.gz MJOHQIHAWARYAE-OAHLLOKOSA-N 2 1 292.386 3.803 20 0 CHADMP Cc1ccc2c(C)cc(NC(C)(C)CC[NH+](C)C)[nH+]c2c1 ZINC001169715525 1129750176 /nfs/dbraw/zinc/75/01/76/1129750176.db2.gz FINQLQXAYBTQLV-UHFFFAOYSA-N 2 1 285.435 3.994 20 0 CHADMP CC[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](CC)C2CCCCC2)CCO1 ZINC000651910547 1129751612 /nfs/dbraw/zinc/75/16/12/1129751612.db2.gz YFTHTYHXABSFIT-FUHWJXTLSA-N 2 1 296.499 3.578 20 0 CHADMP Cc1cc2ccccc2c(NCC[C@@H]2CCC[N@H+](C)C2)[nH+]1 ZINC001156389038 1129760649 /nfs/dbraw/zinc/76/06/49/1129760649.db2.gz MCXISQIZINUNHJ-HNNXBMFYSA-N 2 1 283.419 3.687 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206025685 1129766780 /nfs/dbraw/zinc/76/67/80/1129766780.db2.gz PAWFAPDDRMYLTQ-CABCVRRESA-N 2 1 294.870 3.764 20 0 CHADMP CC[C@H](C[C@@H](C)CC)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001258798387 1129777529 /nfs/dbraw/zinc/77/75/29/1129777529.db2.gz SREKUMNHXGRZBW-JKSUJKDBSA-N 2 1 266.473 3.619 20 0 CHADMP CC[C@H]1CCC[C@H]([NH2+]CC[N@H+](C)C2CCCC2)CC1 ZINC000086909026 1129829971 /nfs/dbraw/zinc/82/99/71/1129829971.db2.gz PRFDPFJKBPVSQY-HOTGVXAUSA-N 2 1 266.473 3.809 20 0 CHADMP CC[C@H]1CCC[C@H]([NH2+]CC[N@@H+](C)C2CCCC2)CC1 ZINC000086909026 1129829976 /nfs/dbraw/zinc/82/99/76/1129829976.db2.gz PRFDPFJKBPVSQY-HOTGVXAUSA-N 2 1 266.473 3.809 20 0 CHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc(F)cc2)cc1 ZINC000768173939 1129838935 /nfs/dbraw/zinc/83/89/35/1129838935.db2.gz GYYTUGQNHOBLDL-UHFFFAOYSA-N 2 1 286.394 3.519 20 0 CHADMP CCCC1CCC([N@@H+](C)CC2CC[NH+](C)CC2)CC1 ZINC000769327300 1129902174 /nfs/dbraw/zinc/90/21/74/1129902174.db2.gz AAUGLHMZOPKFAK-UHFFFAOYSA-N 2 1 266.473 3.619 20 0 CHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cncc2ccccc21 ZINC000769482936 1129909952 /nfs/dbraw/zinc/90/99/52/1129909952.db2.gz LNJIYBJKHQCNAI-GOSISDBHSA-N 2 1 297.446 3.541 20 0 CHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cncc2ccccc21 ZINC000769482936 1129909955 /nfs/dbraw/zinc/90/99/55/1129909955.db2.gz LNJIYBJKHQCNAI-GOSISDBHSA-N 2 1 297.446 3.541 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cncc2ccccc21 ZINC000769482936 1129909956 /nfs/dbraw/zinc/90/99/56/1129909956.db2.gz LNJIYBJKHQCNAI-GOSISDBHSA-N 2 1 297.446 3.541 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cncc2ccccc21 ZINC000769482936 1129909958 /nfs/dbraw/zinc/90/99/58/1129909958.db2.gz LNJIYBJKHQCNAI-GOSISDBHSA-N 2 1 297.446 3.541 20 0 CHADMP CCCCCC[C@@H](CC)[NH2+]C[C@]1(C)CC[NH2+]CC1(F)F ZINC001246221875 1131409970 /nfs/dbraw/zinc/40/99/70/1131409970.db2.gz PAAMIRIIQNWPNF-CABCVRRESA-N 2 1 290.442 3.960 20 0 CHADMP Cc1cc(C)c(-c2ccccc2C[NH+](C)C)c(C)[nH+]1 ZINC001239686058 1130054547 /nfs/dbraw/zinc/05/45/47/1130054547.db2.gz HVOMOKHQDKZWDK-UHFFFAOYSA-N 2 1 254.377 3.735 20 0 CHADMP C[NH+](C)Cc1ccccc1-c1ccc([C@@H]2CC[N@@H+](C)C2)cc1 ZINC001239686485 1130055536 /nfs/dbraw/zinc/05/55/36/1130055536.db2.gz RYKLIHXDJGGWSY-GOSISDBHSA-N 2 1 294.442 3.834 20 0 CHADMP CCCCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903055679 1130106237 /nfs/dbraw/zinc/10/62/37/1130106237.db2.gz JMGLPVQIBTWAAI-YTTRVJOFSA-N 2 1 264.457 3.703 20 0 CHADMP CC1(C)CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903099291 1130111385 /nfs/dbraw/zinc/11/13/85/1130111385.db2.gz DESHCZINQHUNHO-ZXFUBFMLSA-N 2 1 276.468 3.703 20 0 CHADMP Cc1cccc(C)c1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903123926 1130116755 /nfs/dbraw/zinc/11/67/55/1130116755.db2.gz DFDXUMXCSGGQFK-JLYLLQBASA-N 2 1 298.474 3.593 20 0 CHADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CCCCCC1 ZINC000903179601 1130125234 /nfs/dbraw/zinc/12/52/34/1130125234.db2.gz RGQWGGSTCBOQOK-ZNXRZULTSA-N 2 1 276.468 3.704 20 0 CHADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1(C2CCC2)CCC1 ZINC000903183475 1130125742 /nfs/dbraw/zinc/12/57/42/1130125742.db2.gz OYKHUXXETSTQCK-ZNXRZULTSA-N 2 1 288.479 3.704 20 0 CHADMP C1=CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCC1 ZINC000903344543 1130163724 /nfs/dbraw/zinc/16/37/24/1130163724.db2.gz HQGOHBATSYVVCW-VBZNHOPUSA-N 2 1 288.479 3.870 20 0 CHADMP C[C@H](CC1CCCC1)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903378062 1130167819 /nfs/dbraw/zinc/16/78/19/1130167819.db2.gz BCNOXBOCVBYSOY-QAPCUYQASA-N 2 1 289.467 3.633 20 0 CHADMP C[C@H]1C[C@@H](c2ccccc2)[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001170085028 1130188797 /nfs/dbraw/zinc/18/87/97/1130188797.db2.gz FHSOIUSORKSOPF-HKUYNNGSSA-N 2 1 286.463 3.946 20 0 CHADMP C[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3cccc(Cl)c3)CC2)C1 ZINC001170119611 1130275209 /nfs/dbraw/zinc/27/52/09/1130275209.db2.gz ZCZVSHRMADFLMK-CZUORRHYSA-N 2 1 292.854 3.778 20 0 CHADMP CCCCC1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000677237666 1130298288 /nfs/dbraw/zinc/29/82/88/1130298288.db2.gz NCMWWFZFPFWNGI-FOIPXRHGSA-N 2 1 278.484 3.952 20 0 CHADMP CC(C)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H]1C ZINC000677519588 1130315228 /nfs/dbraw/zinc/31/52/28/1130315228.db2.gz KRIMJWQXYDBJMN-AVEIZBFRSA-N 2 1 278.484 3.664 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C1CC1)C1CCCCC1 ZINC000678073469 1130346966 /nfs/dbraw/zinc/34/69/66/1130346966.db2.gz UTPVEMNTYNKVNY-UHFFFAOYSA-N 2 1 275.440 3.769 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C1CC1)C1CCCCC1 ZINC000678073469 1130346973 /nfs/dbraw/zinc/34/69/73/1130346973.db2.gz UTPVEMNTYNKVNY-UHFFFAOYSA-N 2 1 275.440 3.769 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccccc2C2CC2)CC1 ZINC000678132108 1130354737 /nfs/dbraw/zinc/35/47/37/1130354737.db2.gz YKJZSTPHAQOIPP-UHFFFAOYSA-N 2 1 286.463 3.869 20 0 CHADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001170151612 1130359374 /nfs/dbraw/zinc/35/93/74/1130359374.db2.gz GVHCDLLEFGFZKW-MISYRCLQSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@@H]1CC[C@@H]([NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001170151612 1130359379 /nfs/dbraw/zinc/35/93/79/1130359379.db2.gz GVHCDLLEFGFZKW-MISYRCLQSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@@H]1CC[C@@H]([NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001170151612 1130359384 /nfs/dbraw/zinc/35/93/84/1130359384.db2.gz GVHCDLLEFGFZKW-MISYRCLQSA-N 2 1 298.474 3.773 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccccc2C2CC2)CC1 ZINC000678194672 1130368981 /nfs/dbraw/zinc/36/89/81/1130368981.db2.gz IYKFHGDYZZCIJO-UHFFFAOYSA-N 2 1 286.463 3.870 20 0 CHADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001170156493 1130383055 /nfs/dbraw/zinc/38/30/55/1130383055.db2.gz GIWFXTFCPLQTAE-AFYVEPGGSA-N 2 1 298.474 3.629 20 0 CHADMP C[C@@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001170156493 1130383061 /nfs/dbraw/zinc/38/30/61/1130383061.db2.gz GIWFXTFCPLQTAE-AFYVEPGGSA-N 2 1 298.474 3.629 20 0 CHADMP C[C@@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001170156493 1130383066 /nfs/dbraw/zinc/38/30/66/1130383066.db2.gz GIWFXTFCPLQTAE-AFYVEPGGSA-N 2 1 298.474 3.629 20 0 CHADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001170156494 1130383214 /nfs/dbraw/zinc/38/32/14/1130383214.db2.gz GIWFXTFCPLQTAE-GTAWCEEGSA-N 2 1 298.474 3.629 20 0 CHADMP C[C@@H]1CC[C@H]([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001170156494 1130383221 /nfs/dbraw/zinc/38/32/21/1130383221.db2.gz GIWFXTFCPLQTAE-GTAWCEEGSA-N 2 1 298.474 3.629 20 0 CHADMP C[C@@H]1CC[C@H]([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001170156494 1130383227 /nfs/dbraw/zinc/38/32/27/1130383227.db2.gz GIWFXTFCPLQTAE-GTAWCEEGSA-N 2 1 298.474 3.629 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CCC2CCCCC2)cn1 ZINC000792173165 1130436121 /nfs/dbraw/zinc/43/61/21/1130436121.db2.gz SLAOTURKWVFDMH-UHFFFAOYSA-N 2 1 298.434 3.636 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2c3ccccc3CC[C@@H]2C)C1 ZINC000678767552 1130451165 /nfs/dbraw/zinc/45/11/65/1130451165.db2.gz NEEZRWRRDITVCO-FRQCXROJSA-N 2 1 286.463 3.632 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CC(C)(C)c2ccccc2)[C@H](C)C1 ZINC000678835681 1130462761 /nfs/dbraw/zinc/46/27/61/1130462761.db2.gz NNEAJHDLKVSDGL-SJLPKXTDSA-N 2 1 288.479 3.626 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CC(C)(C)c2ccccc2)[C@H](C)C1 ZINC000678835681 1130462763 /nfs/dbraw/zinc/46/27/63/1130462763.db2.gz NNEAJHDLKVSDGL-SJLPKXTDSA-N 2 1 288.479 3.626 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC(C)(C)c2ccccc2)[C@H](C)C1 ZINC000678835681 1130462764 /nfs/dbraw/zinc/46/27/64/1130462764.db2.gz NNEAJHDLKVSDGL-SJLPKXTDSA-N 2 1 288.479 3.626 20 0 CHADMP CCCC[N@@H+](C)CCC[NH2+][C@H](C)Cc1ccccc1Cl ZINC001170250652 1130474397 /nfs/dbraw/zinc/47/43/97/1130474397.db2.gz QLZXRVVWZRRBIR-OAHLLOKOSA-N 2 1 296.886 3.983 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(O)cc2)c1 ZINC000679401400 1130527468 /nfs/dbraw/zinc/52/74/68/1130527468.db2.gz WYBMRBFCULANMD-UHFFFAOYSA-N 2 1 298.430 3.522 20 0 CHADMP Cc1cccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1Cl ZINC001235037246 1130704811 /nfs/dbraw/zinc/70/48/11/1130704811.db2.gz FRBVFEFUNSTBAO-QGZVFWFLSA-N 2 1 292.854 3.757 20 0 CHADMP Cc1cccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1Cl ZINC001235037246 1130704817 /nfs/dbraw/zinc/70/48/17/1130704817.db2.gz FRBVFEFUNSTBAO-QGZVFWFLSA-N 2 1 292.854 3.757 20 0 CHADMP c1ccc2c(c1)cccc2C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235041681 1130704836 /nfs/dbraw/zinc/70/48/36/1130704836.db2.gz RNNRHYMTYGZYIJ-FQEVSTJZSA-N 2 1 294.442 3.948 20 0 CHADMP c1c2ccccc2oc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235047844 1130706860 /nfs/dbraw/zinc/70/68/60/1130706860.db2.gz WWTZXSZTUCILJV-GOSISDBHSA-N 2 1 284.403 3.541 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235111724 1130711387 /nfs/dbraw/zinc/71/13/87/1130711387.db2.gz STNJFIWEYBDLAO-IRXDYDNUSA-N 2 1 264.457 3.587 20 0 CHADMP c1cc(-c2cccc(C[NH+]3CCC4(CC[NH2+]4)CC3)c2)cs1 ZINC001235106423 1130711781 /nfs/dbraw/zinc/71/17/81/1130711781.db2.gz NMYBABBOPKBSJM-UHFFFAOYSA-N 2 1 298.455 3.743 20 0 CHADMP CCSc1ccccc1C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235144889 1130714657 /nfs/dbraw/zinc/71/46/57/1130714657.db2.gz SULYFUZKNFLXNV-UHFFFAOYSA-N 2 1 290.476 3.517 20 0 CHADMP CC1(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CCCCC1 ZINC001235151641 1130715145 /nfs/dbraw/zinc/71/51/45/1130715145.db2.gz IUCZARVXPFOIMM-KRWDZBQOSA-N 2 1 278.484 3.811 20 0 CHADMP CCc1cccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235162419 1130715856 /nfs/dbraw/zinc/71/58/56/1130715856.db2.gz VEFWCRJKESDDFE-LJQANCHMSA-N 2 1 286.463 3.603 20 0 CHADMP Cc1cccc(C)c1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235160526 1130716065 /nfs/dbraw/zinc/71/60/65/1130716065.db2.gz XPILKEHFAHLQPN-LJQANCHMSA-N 2 1 286.463 3.658 20 0 CHADMP c1[nH]c2ccccc2c1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235156447 1130716151 /nfs/dbraw/zinc/71/61/51/1130716151.db2.gz PZVJUSPFZHVRNZ-IBGZPJMESA-N 2 1 297.446 3.522 20 0 CHADMP Cc1cccc2[nH]cc(C[N@@H+]3CCCC[C@@]34CCC[NH2+]C4)c21 ZINC001235168285 1130716318 /nfs/dbraw/zinc/71/63/18/1130716318.db2.gz QLYDAISOMBFMEL-IBGZPJMESA-N 2 1 297.446 3.584 20 0 CHADMP Cc1cccc2[nH]cc(C[N@H+]3CCCC[C@@]34CCC[NH2+]C4)c21 ZINC001235168285 1130716321 /nfs/dbraw/zinc/71/63/21/1130716321.db2.gz QLYDAISOMBFMEL-IBGZPJMESA-N 2 1 297.446 3.584 20 0 CHADMP c1ccc(C2CC2)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235160813 1130716330 /nfs/dbraw/zinc/71/63/30/1130716330.db2.gz ZLKFWAKUOARSDW-FQEVSTJZSA-N 2 1 298.474 3.918 20 0 CHADMP c1oc2ccccc2c1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235159074 1130716657 /nfs/dbraw/zinc/71/66/57/1130716657.db2.gz VGETXBHCLDPQHQ-GOSISDBHSA-N 2 1 298.430 3.787 20 0 CHADMP CCCc1ccc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1 ZINC001235166968 1130716697 /nfs/dbraw/zinc/71/66/97/1130716697.db2.gz DHRWZJVQPSUBQI-IBGZPJMESA-N 2 1 286.463 3.747 20 0 CHADMP CCCc1ccc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1 ZINC001235166968 1130716700 /nfs/dbraw/zinc/71/67/00/1130716700.db2.gz DHRWZJVQPSUBQI-IBGZPJMESA-N 2 1 286.463 3.747 20 0 CHADMP c1cc2c(c(C[N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)c1)CCC2 ZINC001235158768 1130716806 /nfs/dbraw/zinc/71/68/06/1130716806.db2.gz VQNWBIHHIQYKLL-FQEVSTJZSA-N 2 1 298.474 3.529 20 0 CHADMP Cc1ccc2c(C[N@@H+]3CCCC[C@@]34CCC[NH2+]C4)c[nH]c2c1 ZINC001235172967 1130717869 /nfs/dbraw/zinc/71/78/69/1130717869.db2.gz NYPUSYJDFJHSQI-IBGZPJMESA-N 2 1 297.446 3.584 20 0 CHADMP Cc1ccc2c(C[N@H+]3CCCC[C@@]34CCC[NH2+]C4)c[nH]c2c1 ZINC001235172967 1130717874 /nfs/dbraw/zinc/71/78/74/1130717874.db2.gz NYPUSYJDFJHSQI-IBGZPJMESA-N 2 1 297.446 3.584 20 0 CHADMP c1cc2c(cccc2C[N@H+]2CCCCC23CC[NH2+]CC3)o1 ZINC001235191224 1130720892 /nfs/dbraw/zinc/72/08/92/1130720892.db2.gz ONAFEVVRYXMPDW-UHFFFAOYSA-N 2 1 284.403 3.541 20 0 CHADMP CC(C)c1ccc(C[N@H+]2CCCCC23CC[NH2+]CC3)cc1 ZINC001235191758 1130723192 /nfs/dbraw/zinc/72/31/92/1130723192.db2.gz YJINOLCZVKOGSA-UHFFFAOYSA-N 2 1 286.463 3.918 20 0 CHADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1cccc(-c3ccsc3)c1)C2 ZINC001235245967 1130727373 /nfs/dbraw/zinc/72/73/73/1130727373.db2.gz RVHXECPPRTVNSD-QZTJIDSGSA-N 2 1 298.455 3.728 20 0 CHADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc(-c3ccsc3)c1)C2 ZINC001235245967 1130727376 /nfs/dbraw/zinc/72/73/76/1130727376.db2.gz RVHXECPPRTVNSD-QZTJIDSGSA-N 2 1 298.455 3.728 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235402319 1130738743 /nfs/dbraw/zinc/73/87/43/1130738743.db2.gz IWNDTQHDWOOAOA-DSLCMKTCSA-N 2 1 282.447 3.537 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235402322 1130739323 /nfs/dbraw/zinc/73/93/23/1130739323.db2.gz IWNDTQHDWOOAOA-NMBNSIPYSA-N 2 1 282.447 3.537 20 0 CHADMP C(CC1CCCC1)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235424008 1130741552 /nfs/dbraw/zinc/74/15/52/1130741552.db2.gz IOGADNRBEPEMKD-ROUUACIJSA-N 2 1 278.484 3.668 20 0 CHADMP c1cc(C2CC2)ccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235427165 1130742090 /nfs/dbraw/zinc/74/20/90/1130742090.db2.gz NCGPYPKKZOEQKD-UXHICEINSA-N 2 1 298.474 3.776 20 0 CHADMP CC1(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CCCCC1 ZINC001235423458 1130742182 /nfs/dbraw/zinc/74/21/82/1130742182.db2.gz GQZYRXWYWKPXAF-DLBZAZTESA-N 2 1 278.484 3.668 20 0 CHADMP Cc1cccc(C)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235423593 1130742579 /nfs/dbraw/zinc/74/25/79/1130742579.db2.gz HBFJFFBZPUUUEQ-QZTJIDSGSA-N 2 1 286.463 3.515 20 0 CHADMP c1ccc(CC[N@H+](CCC[NH+]2CCCCC2)C2CC2)cc1 ZINC000781883054 1130744233 /nfs/dbraw/zinc/74/42/33/1130744233.db2.gz KVCFUYBSHWKYTI-UHFFFAOYSA-N 2 1 286.463 3.570 20 0 CHADMP C[N@@H+](Cc1cccc(-c2ccsc2)c1)C1CC[NH2+]CC1 ZINC001235465243 1130747162 /nfs/dbraw/zinc/74/71/62/1130747162.db2.gz IATSMGZYVZOWGQ-UHFFFAOYSA-N 2 1 286.444 3.599 20 0 CHADMP C[C@@H](C1CC1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000782181771 1130758020 /nfs/dbraw/zinc/75/80/20/1130758020.db2.gz KYSDSGXCHZAJKX-PXNSSMCTSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@@H](C1CC1)[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000782181771 1130758026 /nfs/dbraw/zinc/75/80/26/1130758026.db2.gz KYSDSGXCHZAJKX-PXNSSMCTSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@@H](C1CC1)[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000782181771 1130758030 /nfs/dbraw/zinc/75/80/30/1130758030.db2.gz KYSDSGXCHZAJKX-PXNSSMCTSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@@H](C1CC1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000782181771 1130758035 /nfs/dbraw/zinc/75/80/35/1130758035.db2.gz KYSDSGXCHZAJKX-PXNSSMCTSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@H](C1CC1)[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000782181773 1130758232 /nfs/dbraw/zinc/75/82/32/1130758232.db2.gz KYSDSGXCHZAJKX-YLJYHZDGSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@H](C1CC1)[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000782181773 1130758234 /nfs/dbraw/zinc/75/82/34/1130758234.db2.gz KYSDSGXCHZAJKX-YLJYHZDGSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@H](C1CC1)[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000782181773 1130758239 /nfs/dbraw/zinc/75/82/39/1130758239.db2.gz KYSDSGXCHZAJKX-YLJYHZDGSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@H](C1CC1)[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000782181773 1130758243 /nfs/dbraw/zinc/75/82/43/1130758243.db2.gz KYSDSGXCHZAJKX-YLJYHZDGSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000782183119 1130758734 /nfs/dbraw/zinc/75/87/34/1130758734.db2.gz IABHZQJVZXCRLI-AWEZNQCLSA-N 2 1 294.870 3.545 20 0 CHADMP [NH3+]Cc1cccc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)c1 ZINC001235666734 1130764414 /nfs/dbraw/zinc/76/44/14/1130764414.db2.gz VFRSQFFTWBPLEQ-LJQANCHMSA-N 2 1 280.415 3.525 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001235673506 1130764877 /nfs/dbraw/zinc/76/48/77/1130764877.db2.gz BEKUZDKFQSLUOJ-QGZVFWFLSA-N 2 1 294.442 3.833 20 0 CHADMP CC(C)c1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)ccc1Cl ZINC001235675904 1130765458 /nfs/dbraw/zinc/76/54/58/1130765458.db2.gz NIFOFWLOXQIBID-AWEZNQCLSA-N 2 1 280.843 3.634 20 0 CHADMP CC(C)c1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)ccc1Cl ZINC001235675904 1130765461 /nfs/dbraw/zinc/76/54/61/1130765461.db2.gz NIFOFWLOXQIBID-AWEZNQCLSA-N 2 1 280.843 3.634 20 0 CHADMP c1csc([C@H]2CCC[N@@H+]2CC2CC3(C2)CC[NH2+]CC3)c1 ZINC001235676544 1130766177 /nfs/dbraw/zinc/76/61/77/1130766177.db2.gz AOBKCOZJIOCLRR-OAHLLOKOSA-N 2 1 290.476 3.665 20 0 CHADMP CC1(C[N@H+]2CCCC[C@@H]2c2ccccc2F)CC[NH2+]CC1 ZINC001235676562 1130766714 /nfs/dbraw/zinc/76/67/14/1130766714.db2.gz AWNOSGNPIBVBKU-QGZVFWFLSA-N 2 1 290.426 3.742 20 0 CHADMP Fc1ccccc1[C@@H]1CCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001235680539 1130768633 /nfs/dbraw/zinc/76/86/33/1130768633.db2.gz TXRYFGVDGPXYAE-QAPCUYQASA-N 2 1 290.426 3.742 20 0 CHADMP CC[C@H]([NH3+])C[NH+]1CCC(CCc2ccc(Cl)cc2)CC1 ZINC001235694995 1130769656 /nfs/dbraw/zinc/76/96/56/1130769656.db2.gz MPRKDDRCGWYJOD-KRWDZBQOSA-N 2 1 294.870 3.722 20 0 CHADMP CC(C)Cc1ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)cc1 ZINC001235716467 1130771153 /nfs/dbraw/zinc/77/11/53/1130771153.db2.gz DHPIBGWESDOYMY-UHFFFAOYSA-N 2 1 288.479 3.707 20 0 CHADMP CC1=CC[C@@H](CC[N@H+](C)CCC2CC[NH2+]CC2)C1(C)C ZINC001235715176 1130771436 /nfs/dbraw/zinc/77/14/36/1130771436.db2.gz QVWYAICTONQQIF-KRWDZBQOSA-N 2 1 278.484 3.690 20 0 CHADMP c1ccc(-c2ccc(C[N@@H+]3CCCC4(C[NH2+]C4)C3)cc2)cc1 ZINC001235712045 1130772539 /nfs/dbraw/zinc/77/25/39/1130772539.db2.gz YLPFARFQWKXORP-UHFFFAOYSA-N 2 1 292.426 3.539 20 0 CHADMP c1ccc(-c2ccc(C[N@H+]3CCCC4(C[NH2+]C4)C3)cc2)cc1 ZINC001235712045 1130772543 /nfs/dbraw/zinc/77/25/43/1130772543.db2.gz YLPFARFQWKXORP-UHFFFAOYSA-N 2 1 292.426 3.539 20 0 CHADMP CC(C)(C[N@@H+]1CCC[C@H]1C[NH3+])Sc1ccc(Cl)cc1 ZINC001235725498 1130772970 /nfs/dbraw/zinc/77/29/70/1130772970.db2.gz PXOXWYXLVRYUAX-ZDUSSCGKSA-N 2 1 298.883 3.634 20 0 CHADMP CC(C)(C[N@H+]1CCC[C@H]1C[NH3+])Sc1ccc(Cl)cc1 ZINC001235725498 1130772975 /nfs/dbraw/zinc/77/29/75/1130772975.db2.gz PXOXWYXLVRYUAX-ZDUSSCGKSA-N 2 1 298.883 3.634 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@H]1C[NH3+] ZINC001235725032 1130773713 /nfs/dbraw/zinc/77/37/13/1130773713.db2.gz NNVBZAJJVRDQIR-KRWDZBQOSA-N 2 1 280.415 3.585 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1CCC[C@H]1C[NH3+] ZINC001235725032 1130773719 /nfs/dbraw/zinc/77/37/19/1130773719.db2.gz NNVBZAJJVRDQIR-KRWDZBQOSA-N 2 1 280.415 3.585 20 0 CHADMP CC[NH2+]C1CC[NH+](Cc2sc3ccccc3c2C)CC1 ZINC001235727560 1130774217 /nfs/dbraw/zinc/77/42/17/1130774217.db2.gz YYHXPTUASPFECH-UHFFFAOYSA-N 2 1 288.460 3.784 20 0 CHADMP CC[N@@H+](CC[C@@H](C)CCCC(C)(C)OC)C1CC[NH2+]CC1 ZINC001235761327 1130777001 /nfs/dbraw/zinc/77/70/01/1130777001.db2.gz TYRHQOJUJCGZHI-INIZCTEOSA-N 2 1 298.515 3.682 20 0 CHADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC001235750633 1130777096 /nfs/dbraw/zinc/77/70/96/1130777096.db2.gz QINUDZKQTQVGCY-CYBMUJFWSA-N 2 1 296.439 3.835 20 0 CHADMP C[NH2+]C1CC[NH+](Cc2sc3scc(C)c3c2C)CC1 ZINC001235788614 1130780814 /nfs/dbraw/zinc/78/08/14/1130780814.db2.gz JZAXJCMSKSRTBC-UHFFFAOYSA-N 2 1 294.489 3.763 20 0 CHADMP Clc1ccc([C@@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)s1 ZINC001235838909 1130784578 /nfs/dbraw/zinc/78/45/78/1130784578.db2.gz FDDJPJDRIZDQCN-ZDUSSCGKSA-N 2 1 298.883 3.928 20 0 CHADMP C[N@H+](Cc1cccc2c3ccccc3oc21)C[C@@H]1CC[NH2+]C1 ZINC001235841437 1130787535 /nfs/dbraw/zinc/78/75/35/1130787535.db2.gz FUNFWGRGEZDREZ-CQSZACIVSA-N 2 1 294.398 3.627 20 0 CHADMP CC(C)=CCCC1=CC[C@@H](C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)C2)CC1 ZINC001235910046 1130805173 /nfs/dbraw/zinc/80/51/73/1130805173.db2.gz PJNDULSKWYCLEV-FGTMMUONSA-N 2 1 294.458 3.830 20 0 CHADMP CC(C)=CCCC1=CC[C@@H](C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)C2)CC1 ZINC001235910046 1130805180 /nfs/dbraw/zinc/80/51/80/1130805180.db2.gz PJNDULSKWYCLEV-FGTMMUONSA-N 2 1 294.458 3.830 20 0 CHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[C@H]2C)CC1 ZINC000783247674 1130806123 /nfs/dbraw/zinc/80/61/23/1130806123.db2.gz YUBJYFWRTBKTAQ-VKJFTORMSA-N 2 1 272.436 3.600 20 0 CHADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC001235925587 1130806357 /nfs/dbraw/zinc/80/63/57/1130806357.db2.gz WJJXBPZUDJBRFJ-KRWDZBQOSA-N 2 1 296.414 3.792 20 0 CHADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccccc1-c1ccccc1 ZINC001235926336 1130806827 /nfs/dbraw/zinc/80/68/27/1130806827.db2.gz YZEUQMKSPOUVJJ-SFHVURJKSA-N 2 1 280.415 3.667 20 0 CHADMP COCCC[N@@H+](CC[C@@H](C)CC(C)(C)C)C1CC[NH2+]CC1 ZINC001235937826 1130810632 /nfs/dbraw/zinc/81/06/32/1130810632.db2.gz RCYLHDHXNQDRDP-MRXNPFEDSA-N 2 1 298.515 3.539 20 0 CHADMP Cc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c2ccccc12 ZINC001235952476 1130814654 /nfs/dbraw/zinc/81/46/54/1130814654.db2.gz XVVUOXAGHXEFFN-MRXNPFEDSA-N 2 1 282.431 3.580 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+](C)Cc1ccc2c(c1)C[NH2+]C2 ZINC001235958929 1130815955 /nfs/dbraw/zinc/81/59/55/1130815955.db2.gz BUKVMIUBHJWVCP-LJQANCHMSA-N 2 1 280.415 3.873 20 0 CHADMP CC[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc2c(c1)C[NH2+]C2 ZINC001235958921 1130816667 /nfs/dbraw/zinc/81/66/67/1130816667.db2.gz BUKVMIUBHJWVCP-IBGZPJMESA-N 2 1 280.415 3.873 20 0 CHADMP CC[C@H](c1ccccc1)[N@H+](C)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235958837 1130816833 /nfs/dbraw/zinc/81/68/33/1130816833.db2.gz BCBVBXWRXBBUAZ-FVQBIDKESA-N 2 1 296.405 3.560 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235958837 1130816838 /nfs/dbraw/zinc/81/68/38/1130816838.db2.gz BCBVBXWRXBBUAZ-FVQBIDKESA-N 2 1 296.405 3.560 20 0 CHADMP CC(C)c1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000783315315 1130817051 /nfs/dbraw/zinc/81/70/51/1130817051.db2.gz DEMIQKKGZSITJN-IRXDYDNUSA-N 2 1 272.436 3.526 20 0 CHADMP c1ccc(C2=CC[N@@H+](Cc3ccc4c(c3)C[NH2+]C4)CC2)cc1 ZINC001235963168 1130817838 /nfs/dbraw/zinc/81/78/38/1130817838.db2.gz PTKVUCDYTPQJQO-UHFFFAOYSA-N 2 1 290.410 3.579 20 0 CHADMP CC[N@H+](Cc1c(C)ccc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC001236005277 1130829377 /nfs/dbraw/zinc/82/93/77/1130829377.db2.gz CAORQUGZSVLUDS-KRWDZBQOSA-N 2 1 282.431 3.722 20 0 CHADMP CC[N@@H+](Cc1c(C)ccc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC001236005277 1130829384 /nfs/dbraw/zinc/82/93/84/1130829384.db2.gz CAORQUGZSVLUDS-KRWDZBQOSA-N 2 1 282.431 3.722 20 0 CHADMP Cc1c(C[N@@H+]2C[C@H](C)C[C@H]([NH3+])C2)cccc1-c1ccccc1 ZINC001236052432 1130840734 /nfs/dbraw/zinc/84/07/34/1130840734.db2.gz QVVREKPCLJIMHY-BEFAXECRSA-N 2 1 294.442 3.831 20 0 CHADMP Cc1c(C[N@H+]2C[C@H](C)C[C@H]([NH3+])C2)cccc1-c1ccccc1 ZINC001236052432 1130840743 /nfs/dbraw/zinc/84/07/43/1130840743.db2.gz QVVREKPCLJIMHY-BEFAXECRSA-N 2 1 294.442 3.831 20 0 CHADMP Cc1c(C[N@@H+]2C[C@@H](C)C[C@H]([NH3+])C2)cccc1-c1ccccc1 ZINC001236052437 1130841018 /nfs/dbraw/zinc/84/10/18/1130841018.db2.gz QVVREKPCLJIMHY-KXBFYZLASA-N 2 1 294.442 3.831 20 0 CHADMP Cc1c(C[N@H+]2C[C@@H](C)C[C@H]([NH3+])C2)cccc1-c1ccccc1 ZINC001236052437 1130841026 /nfs/dbraw/zinc/84/10/26/1130841026.db2.gz QVVREKPCLJIMHY-KXBFYZLASA-N 2 1 294.442 3.831 20 0 CHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc3oc4ccccc4c3c2)C1 ZINC001236068880 1130847049 /nfs/dbraw/zinc/84/70/49/1130847049.db2.gz YATMZERMOKCRQX-OAHLLOKOSA-N 2 1 294.398 3.627 20 0 CHADMP C[C@H]1C[N@@H+](Cc2cccc3c4ccccc4oc32)CCC[NH2+]1 ZINC001236094680 1130857882 /nfs/dbraw/zinc/85/78/82/1130857882.db2.gz HREZRHXKDIDTBN-AWEZNQCLSA-N 2 1 294.398 3.770 20 0 CHADMP C[N@@H+](CCCC[NH3+])Cc1ccccc1CCc1ccccc1 ZINC001236142226 1130873980 /nfs/dbraw/zinc/87/39/80/1130873980.db2.gz SVRGRAQSUBBUAJ-UHFFFAOYSA-N 2 1 296.458 3.643 20 0 CHADMP CC(C)c1ccc(C[C@@H](C)C[N@@H+](C)CCCC[NH3+])cc1 ZINC001236144129 1130875614 /nfs/dbraw/zinc/87/56/14/1130875614.db2.gz XNRXPAIRQNOWRT-MRXNPFEDSA-N 2 1 276.468 3.659 20 0 CHADMP CCC[N@@H+](Cc1ccc2cc(O)ccc2c1)C1CC[NH2+]CC1 ZINC001236181816 1130879361 /nfs/dbraw/zinc/87/93/61/1130879361.db2.gz GVQDKQDQRBXOBQ-UHFFFAOYSA-N 2 1 298.430 3.509 20 0 CHADMP CC[C@H]([NH3+])C[N@H+](C)[C@H](C)c1cccc2ccccc21 ZINC001236189355 1130881031 /nfs/dbraw/zinc/88/10/31/1130881031.db2.gz LRJLSBCUDYAWJQ-HIFRSBDPSA-N 2 1 256.393 3.570 20 0 CHADMP CC[C@H]([NH3+])C[N@@H+](C)[C@H](C)c1cccc2ccccc21 ZINC001236189355 1130881036 /nfs/dbraw/zinc/88/10/36/1130881036.db2.gz LRJLSBCUDYAWJQ-HIFRSBDPSA-N 2 1 256.393 3.570 20 0 CHADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@H]2c2c[nH]c3ccccc23)C1 ZINC001236193510 1130885201 /nfs/dbraw/zinc/88/52/01/1130885201.db2.gz RZFLDZYEBYWALS-BEFAXECRSA-N 2 1 297.446 3.647 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@H]2c2c[nH]c3ccccc23)C1 ZINC001236193510 1130885210 /nfs/dbraw/zinc/88/52/10/1130885210.db2.gz RZFLDZYEBYWALS-BEFAXECRSA-N 2 1 297.446 3.647 20 0 CHADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2c[nH]c3ccccc23)C1 ZINC001236193510 1130885214 /nfs/dbraw/zinc/88/52/14/1130885214.db2.gz RZFLDZYEBYWALS-BEFAXECRSA-N 2 1 297.446 3.647 20 0 CHADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@H]2c2c[nH]c3ccccc23)C1 ZINC001236193510 1130885217 /nfs/dbraw/zinc/88/52/17/1130885217.db2.gz RZFLDZYEBYWALS-BEFAXECRSA-N 2 1 297.446 3.647 20 0 CHADMP CC[N@@H+](Cc1ccc(C[NH3+])cc1)Cc1cccc(Cl)c1 ZINC001236194784 1130885539 /nfs/dbraw/zinc/88/55/39/1130885539.db2.gz QGVZXPPVNPMXHM-UHFFFAOYSA-N 2 1 288.822 3.821 20 0 CHADMP C[N@H+](Cc1cccc2[nH]cc(Cl)c21)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215741 1130889334 /nfs/dbraw/zinc/88/93/34/1130889334.db2.gz XRNVXUSRSKHQMI-HIFRSBDPSA-N 2 1 291.826 3.523 20 0 CHADMP C[N@@H+](Cc1cccc2[nH]cc(Cl)c21)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215741 1130889339 /nfs/dbraw/zinc/88/93/39/1130889339.db2.gz XRNVXUSRSKHQMI-HIFRSBDPSA-N 2 1 291.826 3.523 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+](C)[C@H]3CCCC[C@@H]3[NH3+])cc2)o1 ZINC001236215690 1130889422 /nfs/dbraw/zinc/88/94/22/1130889422.db2.gz ICRFLURISMGZJU-ROUUACIJSA-N 2 1 298.430 3.957 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+](C)[C@H]3CCCC[C@@H]3[NH3+])cc2)o1 ZINC001236215690 1130889429 /nfs/dbraw/zinc/88/94/29/1130889429.db2.gz ICRFLURISMGZJU-ROUUACIJSA-N 2 1 298.430 3.957 20 0 CHADMP CCCCOc1cccc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236214199 1130889868 /nfs/dbraw/zinc/88/98/68/1130889868.db2.gz CRLRAHGUOPXRIP-ROUUACIJSA-N 2 1 290.451 3.567 20 0 CHADMP CCCCOc1cccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236214199 1130889872 /nfs/dbraw/zinc/88/98/72/1130889872.db2.gz CRLRAHGUOPXRIP-ROUUACIJSA-N 2 1 290.451 3.567 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2cccc(C(C)(C)C)c2)CC1 ZINC001236213390 1130890340 /nfs/dbraw/zinc/89/03/40/1130890340.db2.gz RJAVDUACEOAACQ-UHFFFAOYSA-N 2 1 288.479 3.947 20 0 CHADMP COc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])c2ccccc12 ZINC001236215827 1130890685 /nfs/dbraw/zinc/89/06/85/1130890685.db2.gz YGWMCPAVWVIYPV-MSOLQXFVSA-N 2 1 298.430 3.550 20 0 CHADMP C[N@H+](Cc1cccc(OC(C)(C)C)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215914 1130892702 /nfs/dbraw/zinc/89/27/02/1130892702.db2.gz IUKWJCUKAUTRPA-IAGOWNOFSA-N 2 1 290.451 3.566 20 0 CHADMP C[N@@H+](Cc1cccc(OC(C)(C)C)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215914 1130892708 /nfs/dbraw/zinc/89/27/08/1130892708.db2.gz IUKWJCUKAUTRPA-IAGOWNOFSA-N 2 1 290.451 3.566 20 0 CHADMP CCCCc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])s1 ZINC001236216875 1130893363 /nfs/dbraw/zinc/89/33/63/1130893363.db2.gz LTLIGZSVDZUFSX-CVEARBPZSA-N 2 1 280.481 3.792 20 0 CHADMP CCCCc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])s1 ZINC001236216875 1130893371 /nfs/dbraw/zinc/89/33/71/1130893371.db2.gz LTLIGZSVDZUFSX-CVEARBPZSA-N 2 1 280.481 3.792 20 0 CHADMP C[N@@H+](Cc1ccc(C(C)(C)C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236222019 1130895546 /nfs/dbraw/zinc/89/55/46/1130895546.db2.gz JTWNQYDXMHUFKT-QAQDUYKDSA-N 2 1 274.452 3.686 20 0 CHADMP CCCCc1ccc(C[N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)s1 ZINC001236221862 1130895885 /nfs/dbraw/zinc/89/58/85/1130895885.db2.gz HKTBGMPRXYISQV-HDJSIYSDSA-N 2 1 280.481 3.792 20 0 CHADMP C[N@@H+](Cc1ccc(Cl)cc1Cl)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236225055 1130896696 /nfs/dbraw/zinc/89/66/96/1130896696.db2.gz ZLAKIVUQAXJTHM-JOCQHMNTSA-N 2 1 287.234 3.695 20 0 CHADMP [NH3+]C1CCC([N@H+](Cc2ccccc2)CC2CCC2)CC1 ZINC001236228244 1130897013 /nfs/dbraw/zinc/89/70/13/1130897013.db2.gz RWEBFJPIYDNTFW-UHFFFAOYSA-N 2 1 272.436 3.559 20 0 CHADMP CCCCOc1ccc(C[N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236222870 1130897034 /nfs/dbraw/zinc/89/70/34/1130897034.db2.gz MYZKXMJOXPPKKU-QAQDUYKDSA-N 2 1 290.451 3.567 20 0 CHADMP C[N@@H+](Cc1cccc(C(C)(C)C)c1)C1(C)CC[NH2+]CC1 ZINC001236225707 1130897965 /nfs/dbraw/zinc/89/79/65/1130897965.db2.gz CTGBGKIFVAXNFU-UHFFFAOYSA-N 2 1 274.452 3.558 20 0 CHADMP CC[N@@H+](Cc1cccc(C[NH3+])c1)Cc1ccc(C)c(C)c1 ZINC001236239967 1130902545 /nfs/dbraw/zinc/90/25/45/1130902545.db2.gz HXCOQXIQTBXJKJ-UHFFFAOYSA-N 2 1 282.431 3.784 20 0 CHADMP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cccc2c3ccccc3oc21 ZINC001236244801 1130903534 /nfs/dbraw/zinc/90/35/34/1130903534.db2.gz FRYXRAOWMVVDAS-CQSZACIVSA-N 2 1 280.371 3.509 20 0 CHADMP [NH3+]C[C@H]1CCC[N@H+]1Cc1cccc2c3ccccc3oc21 ZINC001236244801 1130903543 /nfs/dbraw/zinc/90/35/43/1130903543.db2.gz FRYXRAOWMVVDAS-CQSZACIVSA-N 2 1 280.371 3.509 20 0 CHADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(C)c(C)c1 ZINC001236242099 1130903724 /nfs/dbraw/zinc/90/37/24/1130903724.db2.gz XFTUUWVUMCVWET-KRWDZBQOSA-N 2 1 274.452 3.515 20 0 CHADMP C[C@H](CC[N@H+]1CC[C@@H]([NH3+])[C@H](C(F)(F)F)C1)CC(C)(C)C ZINC001236354525 1130917422 /nfs/dbraw/zinc/91/74/22/1130917422.db2.gz KFBCFTYHFNSHAV-JHJVBQTASA-N 2 1 294.405 3.660 20 0 CHADMP Cc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC001236375524 1130923376 /nfs/dbraw/zinc/92/33/76/1130923376.db2.gz ZTHVMYMYHIRRIJ-GOSISDBHSA-N 2 1 286.463 3.739 20 0 CHADMP CC[C@@H](C)C[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236383713 1130924117 /nfs/dbraw/zinc/92/41/17/1130924117.db2.gz WHFLTXUNNBTYPZ-OAHLLOKOSA-N 2 1 292.442 3.673 20 0 CHADMP CCCCCCc1csc(C[N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC001236412900 1130932873 /nfs/dbraw/zinc/93/28/73/1130932873.db2.gz XQPRHSAPURCTFG-FVQHAEBGSA-N 2 1 292.492 3.521 20 0 CHADMP CCCCCCc1csc(C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC001236412900 1130932877 /nfs/dbraw/zinc/93/28/77/1130932877.db2.gz XQPRHSAPURCTFG-FVQHAEBGSA-N 2 1 292.492 3.521 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+]1CCC[C@H]([NH3+])[C@@H]1C ZINC001236421738 1130936113 /nfs/dbraw/zinc/93/61/13/1130936113.db2.gz UCWKMUJMOWRXGV-NHYWBVRUSA-N 2 1 274.433 3.521 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+]1CCC[C@H]([NH3+])[C@@H]1C ZINC001236421738 1130936115 /nfs/dbraw/zinc/93/61/15/1130936115.db2.gz UCWKMUJMOWRXGV-NHYWBVRUSA-N 2 1 274.433 3.521 20 0 CHADMP C[C@H]1C[C@H]1C[N@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001236449918 1130945009 /nfs/dbraw/zinc/94/50/09/1130945009.db2.gz DVTGFGNIUJDXAB-ZFWWWQNUSA-N 2 1 292.854 3.550 20 0 CHADMP C[C@H]1C[C@H]1C[N@@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001236449918 1130945014 /nfs/dbraw/zinc/94/50/14/1130945014.db2.gz DVTGFGNIUJDXAB-ZFWWWQNUSA-N 2 1 292.854 3.550 20 0 CHADMP CCn1ccc2ccc(C[N@H+](C(C)C)[C@@H]3CCC[NH2+]C3)cc21 ZINC001236468534 1130949115 /nfs/dbraw/zinc/94/91/15/1130949115.db2.gz PFUYBUWGISVDGU-GOSISDBHSA-N 2 1 299.462 3.624 20 0 CHADMP CCn1ccc2ccc(C[N@@H+](C(C)C)[C@@H]3CCC[NH2+]C3)cc21 ZINC001236468534 1130949118 /nfs/dbraw/zinc/94/91/18/1130949118.db2.gz PFUYBUWGISVDGU-GOSISDBHSA-N 2 1 299.462 3.624 20 0 CHADMP CC(C)C[N@H+](Cc1cccc(C(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236475534 1130950594 /nfs/dbraw/zinc/95/05/94/1130950594.db2.gz XMQSXFWNKTVYRM-MRXNPFEDSA-N 2 1 296.405 3.834 20 0 CHADMP CC(C)C[N@@H+](Cc1cccc(C(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236475534 1130950596 /nfs/dbraw/zinc/95/05/96/1130950596.db2.gz XMQSXFWNKTVYRM-MRXNPFEDSA-N 2 1 296.405 3.834 20 0 CHADMP CC(C)C[N@H+](Cc1ccc(C(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236477921 1130951102 /nfs/dbraw/zinc/95/11/02/1130951102.db2.gz UTNCOFXAWAQZQZ-MRXNPFEDSA-N 2 1 296.405 3.834 20 0 CHADMP CC(C)C[N@@H+](Cc1ccc(C(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236477921 1130951107 /nfs/dbraw/zinc/95/11/07/1130951107.db2.gz UTNCOFXAWAQZQZ-MRXNPFEDSA-N 2 1 296.405 3.834 20 0 CHADMP CC[C@H](C)C[N@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC001236503430 1130959068 /nfs/dbraw/zinc/95/90/68/1130959068.db2.gz CARMQUCCEHIMPR-ZDUSSCGKSA-N 2 1 296.405 3.565 20 0 CHADMP CC[C@H](C)C[N@@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC001236503430 1130959070 /nfs/dbraw/zinc/95/90/70/1130959070.db2.gz CARMQUCCEHIMPR-ZDUSSCGKSA-N 2 1 296.405 3.565 20 0 CHADMP Cc1cccc(C)c1C[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550921 1130973081 /nfs/dbraw/zinc/97/30/81/1130973081.db2.gz JBWCPHBRYYFDDK-IYARVYRRSA-N 2 1 286.463 3.785 20 0 CHADMP CC(C)C[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551546 1130973857 /nfs/dbraw/zinc/97/38/57/1130973857.db2.gz RIRHHNRKQCYFTL-QAQDUYKDSA-N 2 1 278.415 3.554 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCC2CCCC2)CC2CC2)CC1 ZINC001236553268 1130974208 /nfs/dbraw/zinc/97/42/08/1130974208.db2.gz VPBGUBNWGLYDRN-QAQDUYKDSA-N 2 1 264.457 3.549 20 0 CHADMP Cc1ccccc1C[N@@H+](Cc1ccoc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236555718 1130974225 /nfs/dbraw/zinc/97/42/25/1130974225.db2.gz MMOVLEYFPACIBS-WGSAOQKQSA-N 2 1 298.430 3.860 20 0 CHADMP Cc1ccccc1C[N@@H+](Cc1ccco1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236556038 1130975024 /nfs/dbraw/zinc/97/50/24/1130975024.db2.gz PRGRUWAAMORRRU-IYARVYRRSA-N 2 1 298.430 3.860 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2F)C2CCCC2)CC1 ZINC001236567401 1130976614 /nfs/dbraw/zinc/97/66/14/1130976614.db2.gz UZITYJUFVRLCMI-JCNLHEQBSA-N 2 1 290.426 3.840 20 0 CHADMP CC(C)(C)CC[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236566060 1130976839 /nfs/dbraw/zinc/97/68/39/1130976839.db2.gz AQMIWLVUHXXMRW-KOMQPUFPSA-N 2 1 266.473 3.937 20 0 CHADMP Cc1ccc(C)c(C[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236571888 1130978020 /nfs/dbraw/zinc/97/80/20/1130978020.db2.gz JJQRWALIKMBIRB-UAPYVXQJSA-N 2 1 286.463 3.928 20 0 CHADMP C[C@]1(C[NH3+])CC[N@H+](Cc2sc(Cl)c3ccccc32)C1 ZINC001236615482 1130983115 /nfs/dbraw/zinc/98/31/15/1130983115.db2.gz IYZHCMVCPGTJHY-OAHLLOKOSA-N 2 1 294.851 3.725 20 0 CHADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2sc(Cl)c3ccccc32)C1 ZINC001236615482 1130983120 /nfs/dbraw/zinc/98/31/20/1130983120.db2.gz IYZHCMVCPGTJHY-OAHLLOKOSA-N 2 1 294.851 3.725 20 0 CHADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(-c3cccs3)cc2)C1 ZINC001236605917 1130983463 /nfs/dbraw/zinc/98/34/63/1130983463.db2.gz WXRDEAUFRLIKCL-QGZVFWFLSA-N 2 1 286.444 3.586 20 0 CHADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC001236605952 1130983727 /nfs/dbraw/zinc/98/37/27/1130983727.db2.gz XJJVTXZWSPOOOD-QFBILLFUSA-N 2 1 288.479 3.659 20 0 CHADMP CC(C)c1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)ccc1Cl ZINC001236615961 1130984263 /nfs/dbraw/zinc/98/42/63/1130984263.db2.gz LICRXLCWYLOAJJ-MRXNPFEDSA-N 2 1 280.843 3.634 20 0 CHADMP CC(C)c1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)ccc1Cl ZINC001236615961 1130984264 /nfs/dbraw/zinc/98/42/64/1130984264.db2.gz LICRXLCWYLOAJJ-MRXNPFEDSA-N 2 1 280.843 3.634 20 0 CHADMP Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c2ccccc12 ZINC001138014691 1130998383 /nfs/dbraw/zinc/99/83/83/1130998383.db2.gz YAOVVXDGAHOAJB-AEFFLSMTSA-N 2 1 294.442 3.532 20 0 CHADMP Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c2ccccc12 ZINC001138014691 1130998389 /nfs/dbraw/zinc/99/83/89/1130998389.db2.gz YAOVVXDGAHOAJB-AEFFLSMTSA-N 2 1 294.442 3.532 20 0 CHADMP Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c2ccccc12 ZINC001138014691 1130998395 /nfs/dbraw/zinc/99/83/95/1130998395.db2.gz YAOVVXDGAHOAJB-AEFFLSMTSA-N 2 1 294.442 3.532 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000815575927 1131001293 /nfs/dbraw/zinc/00/12/93/1131001293.db2.gz FDOQFIUBNWECMH-OCCSQVGLSA-N 2 1 289.398 3.626 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cc[nH]c2)CC2CCCCC2)CC1 ZINC001236758058 1131004822 /nfs/dbraw/zinc/00/48/22/1131004822.db2.gz BBMVDQVHRHLVHA-IYARVYRRSA-N 2 1 289.467 3.667 20 0 CHADMP C[C@@H]1C[C@@H]1C[N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236755787 1131005118 /nfs/dbraw/zinc/00/51/18/1131005118.db2.gz PJMYNWKKOGZPQD-VDHUWJSZSA-N 2 1 278.484 3.795 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccco2)CC2CCCCC2)CC1 ZINC001236756491 1131005170 /nfs/dbraw/zinc/00/51/70/1131005170.db2.gz XBWYLUUJCRLMQF-QAQDUYKDSA-N 2 1 290.451 3.932 20 0 CHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(-c4ccsc4)c3)C[C@@H]12 ZINC001236821030 1131013531 /nfs/dbraw/zinc/01/35/31/1131013531.db2.gz UIJLQCDPUGFVPV-CGTJXYLNSA-N 2 1 298.455 3.584 20 0 CHADMP CCC[N@H+](Cc1cc(C)cc(SC)c1)C[C@@H]1CC[NH2+]C1 ZINC001236843957 1131021192 /nfs/dbraw/zinc/02/11/92/1131021192.db2.gz NQEFRNJDANUPBE-OAHLLOKOSA-N 2 1 292.492 3.538 20 0 CHADMP CCC[N@H+](Cc1ccc(F)c(C2CC2)c1)C[C@H]1CC[NH2+]C1 ZINC001236843537 1131021534 /nfs/dbraw/zinc/02/15/34/1131021534.db2.gz JSGNCSLJVSACJF-HNNXBMFYSA-N 2 1 290.426 3.525 20 0 CHADMP CC[C@H]([NH3+])C[N@H+](C)Cc1ccccc1-c1ccc(F)cc1 ZINC001236869896 1131027521 /nfs/dbraw/zinc/02/75/21/1131027521.db2.gz MXVWWQZFJPHNDL-KRWDZBQOSA-N 2 1 286.394 3.662 20 0 CHADMP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccccc1-c1ccc(F)cc1 ZINC001236869896 1131027527 /nfs/dbraw/zinc/02/75/27/1131027527.db2.gz MXVWWQZFJPHNDL-KRWDZBQOSA-N 2 1 286.394 3.662 20 0 CHADMP CC[C@H]([NH3+])C[N@H+](C)Cc1ccccc1-c1ccccc1C ZINC001236871146 1131028132 /nfs/dbraw/zinc/02/81/32/1131028132.db2.gz XWBCMZPBAKHGPQ-KRWDZBQOSA-N 2 1 282.431 3.831 20 0 CHADMP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccccc1-c1ccccc1C ZINC001236871146 1131028137 /nfs/dbraw/zinc/02/81/37/1131028137.db2.gz XWBCMZPBAKHGPQ-KRWDZBQOSA-N 2 1 282.431 3.831 20 0 CHADMP C[N@@H+](CCCCC[NH3+])Cc1cc(Cl)cc(Cl)c1 ZINC001237160889 1131061482 /nfs/dbraw/zinc/06/14/82/1131061482.db2.gz LQONOCIQMXDCDY-UHFFFAOYSA-N 2 1 275.223 3.554 20 0 CHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccccc3C3CC3)C2)CC1 ZINC000798956815 1131064131 /nfs/dbraw/zinc/06/41/31/1131064131.db2.gz BGFJXPHFJGNHSG-UHFFFAOYSA-N 2 1 298.474 3.872 20 0 CHADMP C[C@H]1CCCC[C@@H]1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798956969 1131065662 /nfs/dbraw/zinc/06/56/62/1131065662.db2.gz SCCZZCFTCWPSKB-DLBZAZTESA-N 2 1 278.484 3.621 20 0 CHADMP CCc1cccc(C)c1C[N@@H+](C(C)C)C1CCN(C)CC1 ZINC001237335025 1131087275 /nfs/dbraw/zinc/08/72/75/1131087275.db2.gz TXZGXKRITRQHEI-UHFFFAOYSA-N 2 1 288.479 3.862 20 0 CHADMP C[C@H](CC[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1)CC(C)(C)C ZINC001237381657 1131093342 /nfs/dbraw/zinc/09/33/42/1131093342.db2.gz JKFSQEKJTMVOJR-OWCLPIDISA-N 2 1 266.473 3.523 20 0 CHADMP C[C@H](CC[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1)CC(C)(C)C ZINC001237381657 1131093349 /nfs/dbraw/zinc/09/33/49/1131093349.db2.gz JKFSQEKJTMVOJR-OWCLPIDISA-N 2 1 266.473 3.523 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c2ccccc12 ZINC001237389110 1131093643 /nfs/dbraw/zinc/09/36/43/1131093643.db2.gz FSMDPPCAMJERQM-YLJYHZDGSA-N 2 1 294.442 3.722 20 0 CHADMP CCCCc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237405810 1131097515 /nfs/dbraw/zinc/09/75/15/1131097515.db2.gz SAJOHWHKXHZUAS-RTBURBONSA-N 2 1 286.463 3.603 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237408184 1131098007 /nfs/dbraw/zinc/09/80/07/1131098007.db2.gz ZAFWLDFHUKQROJ-PXNSSMCTSA-N 2 1 294.442 3.722 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(C)cc(C)c2)C1 ZINC001116293763 1131139418 /nfs/dbraw/zinc/13/94/18/1131139418.db2.gz XNUILYZBOGUKAU-DLBZAZTESA-N 2 1 274.452 3.686 20 0 CHADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC(C)(C)Cc3occc32)C1 ZINC001116293569 1131139975 /nfs/dbraw/zinc/13/99/75/1131139975.db2.gz SGOLPDYPYRLKCA-ZBFHGGJFSA-N 2 1 290.451 3.615 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CC(C)(C)Cc3occc32)C1 ZINC001116293569 1131139980 /nfs/dbraw/zinc/13/99/80/1131139980.db2.gz SGOLPDYPYRLKCA-ZBFHGGJFSA-N 2 1 290.451 3.615 20 0 CHADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC(C)(C)Cc3occc32)C1 ZINC001116293566 1131140247 /nfs/dbraw/zinc/14/02/47/1131140247.db2.gz SGOLPDYPYRLKCA-GDBMZVCRSA-N 2 1 290.451 3.615 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC(C)(C)Cc3occc32)C1 ZINC001116293566 1131140252 /nfs/dbraw/zinc/14/02/52/1131140252.db2.gz SGOLPDYPYRLKCA-GDBMZVCRSA-N 2 1 290.451 3.615 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@H+]2Cc2cccc3cncn32)cc1 ZINC001238114871 1131171570 /nfs/dbraw/zinc/17/15/70/1131171570.db2.gz YIZXGLVLGYBELN-IBGZPJMESA-N 2 1 291.398 3.980 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc3c[nH+]cn32)cc1 ZINC001238114871 1131171574 /nfs/dbraw/zinc/17/15/74/1131171574.db2.gz YIZXGLVLGYBELN-IBGZPJMESA-N 2 1 291.398 3.980 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@H+]2Cc2cccc3c[nH+]cn32)cc1 ZINC001238114871 1131171579 /nfs/dbraw/zinc/17/15/79/1131171579.db2.gz YIZXGLVLGYBELN-IBGZPJMESA-N 2 1 291.398 3.980 20 0 CHADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccccc1SC(C)(C)C ZINC000817964509 1131192388 /nfs/dbraw/zinc/19/23/88/1131192388.db2.gz BBJUXWUFTFIKEH-SWLSCSKDSA-N 2 1 292.492 3.965 20 0 CHADMP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC001118018337 1131208265 /nfs/dbraw/zinc/20/82/65/1131208265.db2.gz GYKXQJVTBZNJHU-LBPRGKRZSA-N 2 1 292.810 3.688 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC001138542636 1131519055 /nfs/dbraw/zinc/51/90/55/1131519055.db2.gz DEVOBTYLGXETFP-GJZGRUSLSA-N 2 1 283.419 3.944 20 0 CHADMP Cc1nccn1-c1ccc(C[N@@H+]2C[C@H](C)CC23CC3)cc1 ZINC001138550349 1131519659 /nfs/dbraw/zinc/51/96/59/1131519659.db2.gz QMBPEFAPLFVXMO-CQSZACIVSA-N 2 1 281.403 3.555 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@H](C)CC23CC3)cc1 ZINC001138550349 1131519662 /nfs/dbraw/zinc/51/96/62/1131519662.db2.gz QMBPEFAPLFVXMO-CQSZACIVSA-N 2 1 281.403 3.555 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@H](C)CC23CC3)cc1 ZINC001138550349 1131519666 /nfs/dbraw/zinc/51/96/66/1131519666.db2.gz QMBPEFAPLFVXMO-CQSZACIVSA-N 2 1 281.403 3.555 20 0 CHADMP Cc1nc2c(s1)[C@@H]([N@@H+](C)CCCCCCC[NH3+])CCC2 ZINC000844221563 1131537185 /nfs/dbraw/zinc/53/71/85/1131537185.db2.gz GGBGGFXAQASBFK-HNNXBMFYSA-N 2 1 295.496 3.670 20 0 CHADMP CCn1ccc2ccc(C[N@H+](C)CCC[NH+]3CCCC3)cc21 ZINC001139122843 1131582998 /nfs/dbraw/zinc/58/29/98/1131582998.db2.gz MTTDNDUTXLKWIN-UHFFFAOYSA-N 2 1 299.462 3.579 20 0 CHADMP CCn1ccc2ccc(C[N@@H+](C)CCC[NH+]3CCCC3)cc21 ZINC001139122843 1131583002 /nfs/dbraw/zinc/58/30/02/1131583002.db2.gz MTTDNDUTXLKWIN-UHFFFAOYSA-N 2 1 299.462 3.579 20 0 CHADMP C[N@H+](Cc1ccc(-n2ccnc2)cc1)CC1CCCCC1 ZINC001139362709 1131605036 /nfs/dbraw/zinc/60/50/36/1131605036.db2.gz NQTRWXOADAXMPF-UHFFFAOYSA-N 2 1 283.419 3.884 20 0 CHADMP C[C@@H]1C[N@H+](C2CCC(C(C)(C)C)CC2)CCC[C@@H]1C[NH3+] ZINC001246566870 1131634616 /nfs/dbraw/zinc/63/46/16/1131634616.db2.gz JVBHUFMCGFOEAT-NUWOQIAWSA-N 2 1 280.500 3.898 20 0 CHADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3C(F)F)C2)CC1 ZINC001139798784 1131637625 /nfs/dbraw/zinc/63/76/25/1131637625.db2.gz DQIQMWFQQFBFLI-UHFFFAOYSA-N 2 1 294.389 3.542 20 0 CHADMP CC[NH+](CC)C1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC001139882574 1131645491 /nfs/dbraw/zinc/64/54/91/1131645491.db2.gz OBVHFUICAYSFKB-UHFFFAOYSA-N 2 1 286.463 3.870 20 0 CHADMP CC[C@@H]1CC([N@H+]2CCCC[C@@](C)(F)C2)C[C@@H](CC)[NH2+]1 ZINC001246570968 1131645967 /nfs/dbraw/zinc/64/59/67/1131645967.db2.gz CBRDJBVWZSFYEF-IIAWOOMASA-N 2 1 270.436 3.510 20 0 CHADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCCC[C@@](C)(F)C2)CC[NH2+]1 ZINC001246576881 1131662118 /nfs/dbraw/zinc/66/21/18/1131662118.db2.gz PXORDXPDGCCTJE-OWCLPIDISA-N 2 1 270.436 3.511 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000846217792 1131700602 /nfs/dbraw/zinc/70/06/02/1131700602.db2.gz BUGBPJLBOFHQLB-MRXNPFEDSA-N 2 1 280.843 3.996 20 0 CHADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CCCCCC[NH3+])C1 ZINC000846219640 1131702207 /nfs/dbraw/zinc/70/22/07/1131702207.db2.gz UMLDXXPUGSOTLH-IAGOWNOFSA-N 2 1 274.452 3.692 20 0 CHADMP CSC(C)(C)C[C@@H](C)[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001246606584 1131715239 /nfs/dbraw/zinc/71/52/39/1131715239.db2.gz BFQJRDLQNGYVTH-CQSZACIVSA-N 2 1 284.513 3.515 20 0 CHADMP CC(C)CCC[C@H](C)[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001246605973 1131715670 /nfs/dbraw/zinc/71/56/70/1131715670.db2.gz LPTLUFPIFSMWPO-DLBZAZTESA-N 2 1 266.473 3.809 20 0 CHADMP CCCC[C@@H](CCC)[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001246607328 1131716325 /nfs/dbraw/zinc/71/63/25/1131716325.db2.gz CYRQHXZHIFHRKQ-MRXNPFEDSA-N 2 1 266.473 3.953 20 0 CHADMP CCCC[C@H](CCC)[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001246607321 1131716380 /nfs/dbraw/zinc/71/63/80/1131716380.db2.gz CYRQHXZHIFHRKQ-INIZCTEOSA-N 2 1 266.473 3.953 20 0 CHADMP CCCC[C@@H](CCC)[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246614201 1131718802 /nfs/dbraw/zinc/71/88/02/1131718802.db2.gz MTPRYGRWUWOGBW-SJORKVTESA-N 2 1 266.473 3.953 20 0 CHADMP C1CCC2(C1)CCC([N@H+]1CCC[C@@]3(CCC[NH2+]3)C1)CC2 ZINC001246625586 1131722498 /nfs/dbraw/zinc/72/24/98/1131722498.db2.gz WXJITPWXKMAOFD-SFHVURJKSA-N 2 1 276.468 3.707 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CC1 ZINC000834908357 1131730026 /nfs/dbraw/zinc/73/00/26/1131730026.db2.gz DESUMNOLYJACSM-GVDBMIGSSA-N 2 1 278.484 3.809 20 0 CHADMP CC[C@H](C)C[NH2+]CCC[N@@H+](CC)C1CCCCC1 ZINC001203042632 1131767767 /nfs/dbraw/zinc/76/77/67/1131767767.db2.gz AALAVEZEMJWTMT-HNNXBMFYSA-N 2 1 254.462 3.667 20 0 CHADMP C[N@@H+](CCC[NH3+])C1CCC(c2ccc(Cl)cc2)CC1 ZINC001246682840 1131780587 /nfs/dbraw/zinc/78/05/87/1131780587.db2.gz XBHXYYBVNVRSMG-UHFFFAOYSA-N 2 1 280.843 3.647 20 0 CHADMP CCCCC[C@H](CCC)[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246693717 1131781925 /nfs/dbraw/zinc/78/19/25/1131781925.db2.gz QGRVIHYNLIELSU-YESZJQIVSA-N 2 1 284.463 3.759 20 0 CHADMP CCCCC(CCCC)[N@H+]1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001246698416 1131782569 /nfs/dbraw/zinc/78/25/69/1131782569.db2.gz XWNICBXKUHTFET-GDBMZVCRSA-N 2 1 284.463 3.744 20 0 CHADMP CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]3CCC[C@@H]32)C[C@H](CC)[NH2+]1 ZINC001246819817 1131785761 /nfs/dbraw/zinc/78/57/61/1131785761.db2.gz KGOYGVFCENPQNR-KSWRQPAISA-N 2 1 264.457 3.560 20 0 CHADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]3CCC[C@@H]32)C[C@H](CC)[NH2+]1 ZINC001246819817 1131785767 /nfs/dbraw/zinc/78/57/67/1131785767.db2.gz KGOYGVFCENPQNR-KSWRQPAISA-N 2 1 264.457 3.560 20 0 CHADMP CCCC[C@@H]1C[C@H]([N@@H+](C)[C@H]2CC[C@H](C)CC2)CC[NH2+]1 ZINC001246995025 1131839026 /nfs/dbraw/zinc/83/90/26/1131839026.db2.gz FELLKIDXSUHQBZ-QBPKDAKJSA-N 2 1 266.473 3.808 20 0 CHADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001247004241 1131840886 /nfs/dbraw/zinc/84/08/86/1131840886.db2.gz RHXCICBBELGLAC-ARFHVFGLSA-N 2 1 254.462 3.652 20 0 CHADMP Fc1ccc([C@H]2CC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)cc1 ZINC001140805054 1131928472 /nfs/dbraw/zinc/92/84/72/1131928472.db2.gz PVGJYDVUMJVVIR-AWEZNQCLSA-N 2 1 295.361 3.692 20 0 CHADMP Fc1ccc([C@H]2CC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)cc1 ZINC001140805054 1131928477 /nfs/dbraw/zinc/92/84/77/1131928477.db2.gz PVGJYDVUMJVVIR-AWEZNQCLSA-N 2 1 295.361 3.692 20 0 CHADMP COc1ccccc1[C@H](C)[N@H+](C)Cc1c[nH]c2cc[nH+]cc12 ZINC001140805139 1131929990 /nfs/dbraw/zinc/92/99/90/1131929990.db2.gz TVTIRYDAHRSZRB-ZDUSSCGKSA-N 2 1 295.386 3.765 20 0 CHADMP COc1ccccc1[C@H](C)[N@@H+](C)Cc1c[nH]c2cc[nH+]cc12 ZINC001140805139 1131929998 /nfs/dbraw/zinc/92/99/98/1131929998.db2.gz TVTIRYDAHRSZRB-ZDUSSCGKSA-N 2 1 295.386 3.765 20 0 CHADMP CCC(CC)[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000037107679 1131996796 /nfs/dbraw/zinc/99/67/96/1131996796.db2.gz CYFHYWLLOLRWJL-SFHVURJKSA-N 2 1 274.452 3.848 20 0 CHADMP CC[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000716727472 1132030116 /nfs/dbraw/zinc/03/01/16/1132030116.db2.gz LGTSGQBTJDKTNI-LEAZDLGRSA-N 2 1 298.474 3.818 20 0 CHADMP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@@H]3CCC[C@H]3C2)CC1(C)C ZINC001171632280 1132063245 /nfs/dbraw/zinc/06/32/45/1132063245.db2.gz YQAOHALLAVTBIW-GJZGRUSLSA-N 2 1 278.484 3.760 20 0 CHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@H]3CCC[C@H]3C2)CC1(C)C ZINC001171632280 1132063252 /nfs/dbraw/zinc/06/32/52/1132063252.db2.gz YQAOHALLAVTBIW-GJZGRUSLSA-N 2 1 278.484 3.760 20 0 CHADMP C[C@@H]1CCCCC[N@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171638500 1132080613 /nfs/dbraw/zinc/08/06/13/1132080613.db2.gz ZOTHTKKZWXCENH-CQSZACIVSA-N 2 1 266.473 3.902 20 0 CHADMP C[C@@H]1CCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)[C@@H]1C ZINC001171637416 1132082663 /nfs/dbraw/zinc/08/26/63/1132082663.db2.gz MSWMNZKTQJGTNG-ZIAGYGMSSA-N 2 1 266.473 3.758 20 0 CHADMP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967713 1132112497 /nfs/dbraw/zinc/11/24/97/1132112497.db2.gz AZONKLLHJFUOGW-DOTOQJQBSA-N 2 1 274.452 3.818 20 0 CHADMP CC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967716 1132112647 /nfs/dbraw/zinc/11/26/47/1132112647.db2.gz AZONKLLHJFUOGW-NVXWUHKLSA-N 2 1 274.452 3.818 20 0 CHADMP C[N@@H+](CC1CC1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976643 1132117848 /nfs/dbraw/zinc/11/78/48/1132117848.db2.gz MFDAOKZEWTWIER-SFHVURJKSA-N 2 1 286.463 3.771 20 0 CHADMP C[NH+](CC1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976643 1132117851 /nfs/dbraw/zinc/11/78/51/1132117851.db2.gz MFDAOKZEWTWIER-SFHVURJKSA-N 2 1 286.463 3.771 20 0 CHADMP C[NH+](CC1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976643 1132117853 /nfs/dbraw/zinc/11/78/53/1132117853.db2.gz MFDAOKZEWTWIER-SFHVURJKSA-N 2 1 286.463 3.771 20 0 CHADMP CC1(C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982304 1132119849 /nfs/dbraw/zinc/11/98/49/1132119849.db2.gz HFKLVYBOMFYGJG-IAGOWNOFSA-N 2 1 286.463 3.818 20 0 CHADMP CCC[N@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172080346 1132122903 /nfs/dbraw/zinc/12/29/03/1132122903.db2.gz UIKNSGBSBVEDLL-REPLKXPHSA-N 2 1 286.463 3.914 20 0 CHADMP CCC[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172080346 1132122906 /nfs/dbraw/zinc/12/29/06/1132122906.db2.gz UIKNSGBSBVEDLL-REPLKXPHSA-N 2 1 286.463 3.914 20 0 CHADMP CCC[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172080346 1132122910 /nfs/dbraw/zinc/12/29/10/1132122910.db2.gz UIKNSGBSBVEDLL-REPLKXPHSA-N 2 1 286.463 3.914 20 0 CHADMP CCC[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172080346 1132122915 /nfs/dbraw/zinc/12/29/15/1132122915.db2.gz UIKNSGBSBVEDLL-REPLKXPHSA-N 2 1 286.463 3.914 20 0 CHADMP C[N@H+](C1CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172078888 1132123472 /nfs/dbraw/zinc/12/34/72/1132123472.db2.gz JZSSMJZNTUBUKK-REPLKXPHSA-N 2 1 284.447 3.666 20 0 CHADMP C[N@@H+](C1CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172078888 1132123478 /nfs/dbraw/zinc/12/34/78/1132123478.db2.gz JZSSMJZNTUBUKK-REPLKXPHSA-N 2 1 284.447 3.666 20 0 CHADMP C[NH+](C1CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172078888 1132123481 /nfs/dbraw/zinc/12/34/81/1132123481.db2.gz JZSSMJZNTUBUKK-REPLKXPHSA-N 2 1 284.447 3.666 20 0 CHADMP C[NH+](C1CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172078888 1132123485 /nfs/dbraw/zinc/12/34/85/1132123485.db2.gz JZSSMJZNTUBUKK-REPLKXPHSA-N 2 1 284.447 3.666 20 0 CHADMP Cc1ccc(CCC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)s1 ZINC001172099312 1132124854 /nfs/dbraw/zinc/12/48/54/1132124854.db2.gz JFARZQFNQKZMEN-PHZGNYQRSA-N 2 1 292.492 3.594 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)C2 ZINC001172100516 1132125001 /nfs/dbraw/zinc/12/50/01/1132125001.db2.gz DDWVXPCWORFFSQ-ZSOGYDGISA-N 2 1 296.817 3.584 20 0 CHADMP CC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172069789 1132125363 /nfs/dbraw/zinc/12/53/63/1132125363.db2.gz XIAZICMOCMAZTH-BCDXTJNWSA-N 2 1 284.447 3.714 20 0 CHADMP CC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172069789 1132125367 /nfs/dbraw/zinc/12/53/67/1132125367.db2.gz XIAZICMOCMAZTH-BCDXTJNWSA-N 2 1 284.447 3.714 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]CCC2CC2)C3)cc1 ZINC001172066560 1132125531 /nfs/dbraw/zinc/12/55/31/1132125531.db2.gz ZOGZMXPLMVYKKF-ACDBMABISA-N 2 1 298.474 3.962 20 0 CHADMP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172100222 1132126123 /nfs/dbraw/zinc/12/61/23/1132126123.db2.gz BIYNADVETDPSBW-NRSFXHEJSA-N 2 1 272.436 3.661 20 0 CHADMP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172100222 1132126125 /nfs/dbraw/zinc/12/61/25/1132126125.db2.gz BIYNADVETDPSBW-NRSFXHEJSA-N 2 1 272.436 3.661 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)C2 ZINC001172099552 1132126218 /nfs/dbraw/zinc/12/62/18/1132126218.db2.gz LAYSTKYOQUMMGZ-OKYOBFRVSA-N 2 1 284.447 3.743 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)C2 ZINC001172099552 1132126220 /nfs/dbraw/zinc/12/62/20/1132126220.db2.gz LAYSTKYOQUMMGZ-OKYOBFRVSA-N 2 1 284.447 3.743 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](Cc1ccccc1)C1CC1)C2 ZINC001172129389 1132128220 /nfs/dbraw/zinc/12/82/20/1132128220.db2.gz ZAEIGVRZHYKRFB-BWTSREIZSA-N 2 1 284.447 3.666 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](Cc1ccccc1)C1CC1)C2 ZINC001172129389 1132128225 /nfs/dbraw/zinc/12/82/25/1132128225.db2.gz ZAEIGVRZHYKRFB-BWTSREIZSA-N 2 1 284.447 3.666 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+](Cc1ccccc1)C1CC1)C2 ZINC001172129389 1132128229 /nfs/dbraw/zinc/12/82/29/1132128229.db2.gz ZAEIGVRZHYKRFB-BWTSREIZSA-N 2 1 284.447 3.666 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](Cc1ccccc1)C1CC1)C2 ZINC001172129389 1132128233 /nfs/dbraw/zinc/12/82/33/1132128233.db2.gz ZAEIGVRZHYKRFB-BWTSREIZSA-N 2 1 284.447 3.666 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccccc1C1CC1)C2 ZINC001172102611 1132128402 /nfs/dbraw/zinc/12/84/02/1132128402.db2.gz NKEZSZVVCALOTA-NNZMDNLPSA-N 2 1 284.447 3.669 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC(c3ccccc3)C1)C2 ZINC001172105739 1132129231 /nfs/dbraw/zinc/12/92/31/1132129231.db2.gz JWCFJIHFDBNCRI-QHPSASCESA-N 2 1 284.447 3.538 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC(c3ccccc3)C1)C2 ZINC001172105739 1132129236 /nfs/dbraw/zinc/12/92/36/1132129236.db2.gz JWCFJIHFDBNCRI-QHPSASCESA-N 2 1 284.447 3.538 20 0 CHADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(Cl)c1 ZINC001172109730 1132129846 /nfs/dbraw/zinc/12/98/46/1132129846.db2.gz KNNZLQIEGFBKMD-PHZGNYQRSA-N 2 1 292.854 3.753 20 0 CHADMP CCCC(CCC)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172108206 1132130128 /nfs/dbraw/zinc/13/01/28/1132130128.db2.gz SAZVXHNYLUYPFT-PHZGNYQRSA-N 2 1 252.446 3.560 20 0 CHADMP CCCC(CCC)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172108206 1132130131 /nfs/dbraw/zinc/13/01/31/1132130131.db2.gz SAZVXHNYLUYPFT-PHZGNYQRSA-N 2 1 252.446 3.560 20 0 CHADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1F ZINC001172108858 1132130393 /nfs/dbraw/zinc/13/03/93/1132130393.db2.gz GYAWQMQCOZXWLP-AFIMGQEJSA-N 2 1 290.426 3.882 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC(c3ccccc3)C1)C2 ZINC001172105738 1132130598 /nfs/dbraw/zinc/13/05/98/1132130598.db2.gz JWCFJIHFDBNCRI-DJPWPSDPSA-N 2 1 284.447 3.538 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC(c3ccccc3)C1)C2 ZINC001172105738 1132130604 /nfs/dbraw/zinc/13/06/04/1132130604.db2.gz JWCFJIHFDBNCRI-DJPWPSDPSA-N 2 1 284.447 3.538 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CCC2 ZINC001172111610 1132132409 /nfs/dbraw/zinc/13/24/09/1132132409.db2.gz VUUMVYAKVZIJCN-AJYBTWMASA-N 2 1 298.474 3.977 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CCC2 ZINC001172111610 1132132413 /nfs/dbraw/zinc/13/24/13/1132132413.db2.gz VUUMVYAKVZIJCN-AJYBTWMASA-N 2 1 298.474 3.977 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCc3ccccc3CC1)C2 ZINC001172113313 1132134041 /nfs/dbraw/zinc/13/40/41/1132134041.db2.gz IFEHVGCYFBEDHW-OWZKRDHZSA-N 2 1 298.474 3.539 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCc3ccccc3CC1)C2 ZINC001172113313 1132134045 /nfs/dbraw/zinc/13/40/45/1132134045.db2.gz IFEHVGCYFBEDHW-OWZKRDHZSA-N 2 1 298.474 3.539 20 0 CHADMP C[C@@H]1CC[C@@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H]1C ZINC001172372608 1132166958 /nfs/dbraw/zinc/16/69/58/1132166958.db2.gz YJFOXJNXVGQRFK-JAPOXJDPSA-N 2 1 278.484 3.936 20 0 CHADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC001172375418 1132168896 /nfs/dbraw/zinc/16/88/96/1132168896.db2.gz UPVBPIHBYCBFAY-RYRKJORJSA-N 2 1 280.500 3.863 20 0 CHADMP CC[C@H](C)OCC[C@H](C)[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172334213 1132173786 /nfs/dbraw/zinc/17/37/86/1132173786.db2.gz LTQIANVLAPVQKC-XSLAGTTESA-N 2 1 298.515 3.808 20 0 CHADMP CC[C@H](CC(C)C)[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001172404188 1132197278 /nfs/dbraw/zinc/19/72/78/1132197278.db2.gz ZDFKNEGXOWSNFG-MRXNPFEDSA-N 2 1 289.467 3.754 20 0 CHADMP C[N@@H+]([C@H]1CC[C@@H](c2ccccc2)C1)C1CCC([NH3+])CC1 ZINC001172551134 1132263844 /nfs/dbraw/zinc/26/38/44/1132263844.db2.gz MPZFRZBRNKELOE-CPFNUKBASA-N 2 1 272.436 3.524 20 0 CHADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172562160 1132268487 /nfs/dbraw/zinc/26/84/87/1132268487.db2.gz VLGMJNMIERTBDC-MOPGFXCFSA-N 2 1 286.463 3.740 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172537832 1132276471 /nfs/dbraw/zinc/27/64/71/1132276471.db2.gz VSPIHPDYLOYEOA-GUDVDZBRSA-N 2 1 286.463 3.787 20 0 CHADMP C[NH+]1CC[C@]2(CC[N@H+](C3CCC4(CCCC4)CC3)C2)C1 ZINC001172730383 1132303248 /nfs/dbraw/zinc/30/32/48/1132303248.db2.gz FXXGHTAEFZVJNJ-SFHVURJKSA-N 2 1 276.468 3.517 20 0 CHADMP CCN1CCC([N@@H+](C)C2CCC3(CCCC3)CC2)CC1 ZINC001172730139 1132304524 /nfs/dbraw/zinc/30/45/24/1132304524.db2.gz XIFVUKOXLWJPOM-UHFFFAOYSA-N 2 1 278.484 3.906 20 0 CHADMP CC[NH+]1CCC([N@H+](C)C2CCC3(CCCC3)CC2)CC1 ZINC001172730139 1132304529 /nfs/dbraw/zinc/30/45/29/1132304529.db2.gz XIFVUKOXLWJPOM-UHFFFAOYSA-N 2 1 278.484 3.906 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)C2CCC3(CCCC3)CC2)CC1 ZINC001172730139 1132304531 /nfs/dbraw/zinc/30/45/31/1132304531.db2.gz XIFVUKOXLWJPOM-UHFFFAOYSA-N 2 1 278.484 3.906 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCC23CCCC3)CC1 ZINC001173110467 1132394553 /nfs/dbraw/zinc/39/45/53/1132394553.db2.gz SSQSNDYOJAZNJY-UHFFFAOYSA-N 2 1 264.457 3.658 20 0 CHADMP C[NH+](C)CCC[N@@H+](C)C1CCC2(CCCCC2)CC1 ZINC001173117260 1132396746 /nfs/dbraw/zinc/39/67/46/1132396746.db2.gz FLCVEZQOOFXKMP-UHFFFAOYSA-N 2 1 266.473 3.763 20 0 CHADMP C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012117 1132410791 /nfs/dbraw/zinc/41/07/91/1132410791.db2.gz STFMHDBIBCZXHG-CYBMUJFWSA-N 2 1 277.371 3.682 20 0 CHADMP Fc1cccc([C@H]2CC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001232016373 1132410818 /nfs/dbraw/zinc/41/08/18/1132410818.db2.gz WIVXXDGVGCWTHH-AWEZNQCLSA-N 2 1 295.361 3.692 20 0 CHADMP Fc1ccc([C@@H]2CC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001232016564 1132411313 /nfs/dbraw/zinc/41/13/13/1132411313.db2.gz ZMBAEMRZGIDLAV-CQSZACIVSA-N 2 1 295.361 3.692 20 0 CHADMP CC[N@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1ccccc1F ZINC001232015234 1132411487 /nfs/dbraw/zinc/41/14/87/1132411487.db2.gz DKEYVQYXPZHZQD-UHFFFAOYSA-N 2 1 283.350 3.724 20 0 CHADMP CC[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1ccccc1F ZINC001232015234 1132411491 /nfs/dbraw/zinc/41/14/91/1132411491.db2.gz DKEYVQYXPZHZQD-UHFFFAOYSA-N 2 1 283.350 3.724 20 0 CHADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001232017324 1132412644 /nfs/dbraw/zinc/41/26/44/1132412644.db2.gz PWFQPEAVULKLMH-ZIAGYGMSSA-N 2 1 269.392 3.575 20 0 CHADMP C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+]C(C)(C)C[NH3+] ZINC001173205902 1132415403 /nfs/dbraw/zinc/41/54/03/1132415403.db2.gz ROMTYCFGHPWFOG-MRXNPFEDSA-N 2 1 296.458 3.924 20 0 CHADMP CCCC[C@@H](CC(C)C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001173259888 1132427496 /nfs/dbraw/zinc/42/74/96/1132427496.db2.gz MYHAGIDDBNEJBJ-IRXDYDNUSA-N 2 1 266.473 3.619 20 0 CHADMP CCCC[C@@H](CC(C)C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001173259888 1132427501 /nfs/dbraw/zinc/42/75/01/1132427501.db2.gz MYHAGIDDBNEJBJ-IRXDYDNUSA-N 2 1 266.473 3.619 20 0 CHADMP CCC(CC)[N@@H+](C)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232146390 1132428678 /nfs/dbraw/zinc/42/86/78/1132428678.db2.gz PCJGEZXRVPNRJF-UHFFFAOYSA-N 2 1 266.404 3.508 20 0 CHADMP CC[C@@H]1CC[C@H]([NH2+]C2CCN(c3[nH+]cccc3C)CC2)C1 ZINC001173262202 1132430653 /nfs/dbraw/zinc/43/06/53/1132430653.db2.gz CADGUPNTNPKUGU-WBVHZDCISA-N 2 1 287.451 3.527 20 0 CHADMP COc1ccc([C@@H](C)[N@@H+](C)CCCCCCC[NH3+])cc1 ZINC000842471595 1132433665 /nfs/dbraw/zinc/43/36/65/1132433665.db2.gz LHJRSIWOZLNVCH-OAHLLOKOSA-N 2 1 278.440 3.597 20 0 CHADMP CC[C@@H]1CC[C@@H]([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)C1 ZINC001173281575 1132453223 /nfs/dbraw/zinc/45/32/23/1132453223.db2.gz TZSHTKADVBBTJQ-FGTMMUONSA-N 2 1 278.484 3.906 20 0 CHADMP Clc1csc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000843126075 1132496286 /nfs/dbraw/zinc/49/62/86/1132496286.db2.gz FSSNXQZKITZOMV-STQMWFEESA-N 2 1 298.883 3.613 20 0 CHADMP Cc1c(C)c(C)c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(C)c1C ZINC001206632061 1132544917 /nfs/dbraw/zinc/54/49/17/1132544917.db2.gz FLXBGECAFNLAJP-SFHVURJKSA-N 2 1 288.479 3.790 20 0 CHADMP Cc1cccc2c1cc[nH+]c2NC[C@H]1CCC[NH2+]C[C@@H]1C ZINC001155025337 1132636820 /nfs/dbraw/zinc/63/68/20/1132636820.db2.gz NLKZONGXSVWZMX-LSDHHAIUSA-N 2 1 283.419 3.591 20 0 CHADMP CC(C)(C)c1ccc(NCc2ccc3c(c2)CC[NH2+]C3)[nH+]c1 ZINC001155272617 1132651101 /nfs/dbraw/zinc/65/11/01/1132651101.db2.gz QLSZHZGCTHAHPZ-UHFFFAOYSA-N 2 1 295.430 3.637 20 0 CHADMP CC1(C)C[C@@H](Nc2cc(C3CC3)cc[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001158263371 1132766978 /nfs/dbraw/zinc/76/69/78/1132766978.db2.gz BXNXMNOQQLQRKX-QAPCUYQASA-N 2 1 287.451 3.915 20 0 CHADMP CC1(C)C[C@@H](Nc2cccc(C3CC3)[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001158271575 1132768230 /nfs/dbraw/zinc/76/82/30/1132768230.db2.gz JWYMPYFFFQIANE-KDOFPFPSSA-N 2 1 287.451 3.915 20 0 CHADMP C[N@@H+](Cc1ccccc1NC1=CC[NH2+]CC1)C1CCCCC1 ZINC001159791750 1132910425 /nfs/dbraw/zinc/91/04/25/1132910425.db2.gz UZUPYIPHVKKSMR-UHFFFAOYSA-N 2 1 299.462 3.740 20 0 CHADMP Cc1cccc2c1cc[nH+]c2NCc1ccccc1C[NH3+] ZINC001160907479 1132986060 /nfs/dbraw/zinc/98/60/60/1132986060.db2.gz RYHYEEXWYKBXOG-UHFFFAOYSA-N 2 1 277.371 3.614 20 0 CHADMP Cc1cc(C)c2[nH+]c(N[C@@H]3CCC[C@@H]([NH3+])C3)cc(C)c2c1 ZINC001162395838 1133074118 /nfs/dbraw/zinc/07/41/18/1133074118.db2.gz VZSAPTOZNNXNAJ-HUUCEWRRSA-N 2 1 283.419 3.842 20 0 CHADMP C[N@H+]1CCCC[C@@H]1c1ccc(NC(=[NH2+])C(C)(C)C)nc1 ZINC001162660867 1133101986 /nfs/dbraw/zinc/10/19/86/1133101986.db2.gz OUXRNDMZCLHZAX-CYBMUJFWSA-N 2 1 274.412 3.674 20 0 CHADMP CC(C)(C)C(=[NH2+])Nc1cc(N2CCCCC2)cc[nH+]1 ZINC001162662525 1133103045 /nfs/dbraw/zinc/10/30/45/1133103045.db2.gz XDRKNDJEZBNWKM-UHFFFAOYSA-N 2 1 260.385 3.507 20 0 CHADMP C[NH+](C)CC1CCC(Nc2[nH+]ccc3ccccc32)CC1 ZINC001163296172 1133141303 /nfs/dbraw/zinc/14/13/03/1133141303.db2.gz AEJHCZALIKKXCO-UHFFFAOYSA-N 2 1 283.419 3.767 20 0 CHADMP CC1(Nc2ccc3c(c2)[nH+]cn3[C@H]2CCC[NH2+]CC2)CCC1 ZINC001164032495 1133194193 /nfs/dbraw/zinc/19/41/93/1133194193.db2.gz IUCJZRLXRRAFTM-HNNXBMFYSA-N 2 1 298.434 3.705 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CCC2CC=CC2)CC[N@@H+]1Cc1ccccc1 ZINC001203639675 1133346865 /nfs/dbraw/zinc/34/68/65/1133346865.db2.gz PFNKZSDPVBNCFN-YLJYHZDGSA-N 2 1 298.474 3.985 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CCC2CC=CC2)CC[N@H+]1Cc1ccccc1 ZINC001203639675 1133346872 /nfs/dbraw/zinc/34/68/72/1133346872.db2.gz PFNKZSDPVBNCFN-YLJYHZDGSA-N 2 1 298.474 3.985 20 0 CHADMP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C1CCCCCCC1 ZINC001204170016 1133415263 /nfs/dbraw/zinc/41/52/63/1133415263.db2.gz FTYUQBFLXVNNDU-UHFFFAOYSA-N 2 1 298.434 3.812 20 0 CHADMP CCc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)o1 ZINC001204392551 1133441089 /nfs/dbraw/zinc/44/10/89/1133441089.db2.gz HLKJEMAVZRZKNR-MRXNPFEDSA-N 2 1 290.451 3.682 20 0 CHADMP CCc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)o1 ZINC001204392551 1133441093 /nfs/dbraw/zinc/44/10/93/1133441093.db2.gz HLKJEMAVZRZKNR-MRXNPFEDSA-N 2 1 290.451 3.682 20 0 CHADMP CC[N@@H+](Cc1cc2c(s1)C[NH2+]CC2)C1CCCCC1 ZINC001204598731 1133465908 /nfs/dbraw/zinc/46/59/08/1133465908.db2.gz OHSIXDYDLOLEMI-UHFFFAOYSA-N 2 1 278.465 3.548 20 0 CHADMP Cc1cc(C[NH+]2CCC([NH3+])CC2)ccc1Oc1ccccc1 ZINC001204646392 1133471285 /nfs/dbraw/zinc/47/12/85/1133471285.db2.gz RBTARJPRKFJQBH-UHFFFAOYSA-N 2 1 296.414 3.710 20 0 CHADMP CCCCCCc1csc(C[NH+]2CCC([NH3+])CC2)c1 ZINC001204646350 1133471300 /nfs/dbraw/zinc/47/13/00/1133471300.db2.gz QBJPUUVISKTQKZ-UHFFFAOYSA-N 2 1 280.481 3.794 20 0 CHADMP c1cncc([C@H]2CCC[N@H+]2CCC[NH2+]C2CCCCC2)c1 ZINC001204848619 1133491354 /nfs/dbraw/zinc/49/13/54/1133491354.db2.gz PLEVRJONQTWNMW-GOSISDBHSA-N 2 1 287.451 3.531 20 0 CHADMP c1cncc([C@H]2CCC[N@@H+]2CCC[NH2+]C2CCCCC2)c1 ZINC001204848619 1133491356 /nfs/dbraw/zinc/49/13/56/1133491356.db2.gz PLEVRJONQTWNMW-GOSISDBHSA-N 2 1 287.451 3.531 20 0 CHADMP [NH3+]CCCCCC[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001204870003 1133493906 /nfs/dbraw/zinc/49/39/06/1133493906.db2.gz LILUZRGIRSQQAE-UHFFFAOYSA-N 2 1 292.854 3.948 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@](C)([NH3+])C3)cc2)cc1 ZINC001204938469 1133503724 /nfs/dbraw/zinc/50/37/24/1133503724.db2.gz LPMCBACXDUNPJE-FQEVSTJZSA-N 2 1 294.442 3.975 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CCC[C@](C)([NH3+])C3)cc2)cc1 ZINC001204938469 1133503727 /nfs/dbraw/zinc/50/37/27/1133503727.db2.gz LPMCBACXDUNPJE-FQEVSTJZSA-N 2 1 294.442 3.975 20 0 CHADMP Cc1ccc(-c2cccc(C[N@@H+]3CCC[C@](C)([NH3+])C3)c2)cc1 ZINC001204945636 1133505462 /nfs/dbraw/zinc/50/54/62/1133505462.db2.gz IBEQZNMKGXHDOR-FQEVSTJZSA-N 2 1 294.442 3.975 20 0 CHADMP Cc1ccc(-c2cccc(C[N@H+]3CCC[C@](C)([NH3+])C3)c2)cc1 ZINC001204945636 1133505464 /nfs/dbraw/zinc/50/54/64/1133505464.db2.gz IBEQZNMKGXHDOR-FQEVSTJZSA-N 2 1 294.442 3.975 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@@](C)([NH3+])C1 ZINC001204947323 1133506229 /nfs/dbraw/zinc/50/62/29/1133506229.db2.gz XOSHCKYGDNYFND-HXUWFJFHSA-N 2 1 294.442 3.975 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1CCC[C@@](C)([NH3+])C1 ZINC001204947323 1133506231 /nfs/dbraw/zinc/50/62/31/1133506231.db2.gz XOSHCKYGDNYFND-HXUWFJFHSA-N 2 1 294.442 3.975 20 0 CHADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC[C@@H](C)CCCC(C)(C)OC)C1 ZINC001205001113 1133515010 /nfs/dbraw/zinc/51/50/10/1133515010.db2.gz OGYZXPMEZMYGLL-IRXDYDNUSA-N 2 1 298.515 3.539 20 0 CHADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)CC1 ZINC001205102619 1133529732 /nfs/dbraw/zinc/52/97/32/1133529732.db2.gz URTRJSUCYMNABP-IBGZPJMESA-N 2 1 298.405 3.806 20 0 CHADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC001205110713 1133530721 /nfs/dbraw/zinc/53/07/21/1133530721.db2.gz YZCPNBJIQOLLQH-SFHVURJKSA-N 2 1 292.426 3.571 20 0 CHADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccccc2-c2ccccc2)CC1 ZINC001205109708 1133531000 /nfs/dbraw/zinc/53/10/00/1133531000.db2.gz JRZNIDYHXCGPNM-SFHVURJKSA-N 2 1 280.415 3.667 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2Oc2ccccc2)C[C@H]1C[NH3+] ZINC001205136151 1133535279 /nfs/dbraw/zinc/53/52/79/1133535279.db2.gz RNOICLRONLVEID-DOTOQJQBSA-N 2 1 296.414 3.506 20 0 CHADMP C[C@H]1c2ccccc2CC[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC001205164629 1133539719 /nfs/dbraw/zinc/53/97/19/1133539719.db2.gz JSACXPUJCZEJDD-ZDUSSCGKSA-N 2 1 298.455 3.513 20 0 CHADMP CC1(C[N@H+]2CCCC[C@@H]2c2ccccc2)CC[NH2+]CC1 ZINC001205171189 1133540585 /nfs/dbraw/zinc/54/05/85/1133540585.db2.gz LTGXGYSNLIGGDB-QGZVFWFLSA-N 2 1 272.436 3.603 20 0 CHADMP CC(C)(CC[N@H+]1CCC[C@@](C)([NH3+])CC1)c1ccccc1 ZINC001205254805 1133550085 /nfs/dbraw/zinc/55/00/85/1133550085.db2.gz BMXGCVVQMMQVGI-GOSISDBHSA-N 2 1 274.452 3.558 20 0 CHADMP CCCCOc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1 ZINC001205266429 1133552386 /nfs/dbraw/zinc/55/23/86/1133552386.db2.gz ULDSVAKNTDBWIB-SFHVURJKSA-N 2 1 290.451 3.569 20 0 CHADMP CCSc1ccccc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205296407 1133555443 /nfs/dbraw/zinc/55/54/43/1133555443.db2.gz OMDSFMVWAASEEZ-MRXNPFEDSA-N 2 1 278.465 3.502 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205305516 1133558012 /nfs/dbraw/zinc/55/80/12/1133558012.db2.gz SBEDSRHZOUYPBR-DOTOQJQBSA-N 2 1 288.479 3.791 20 0 CHADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1cccc2c3ccccc3oc21 ZINC001205324912 1133561597 /nfs/dbraw/zinc/56/15/97/1133561597.db2.gz HVADZYKSWBDVRB-CQSZACIVSA-N 2 1 294.398 3.770 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CC[NH2+]CC[C@H]3C)cc2)cc1 ZINC001205332365 1133563740 /nfs/dbraw/zinc/56/37/40/1133563740.db2.gz PSAZFIAAMVSUAX-QGZVFWFLSA-N 2 1 294.442 3.846 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3CC[NH2+]CC[C@H]3C)cc2)cc1 ZINC001205332365 1133563746 /nfs/dbraw/zinc/56/37/46/1133563746.db2.gz PSAZFIAAMVSUAX-QGZVFWFLSA-N 2 1 294.442 3.846 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)C[C@@H]1C ZINC000084981665 1133582355 /nfs/dbraw/zinc/58/23/55/1133582355.db2.gz KEOASSPXFQHIME-QZWWFDLISA-N 2 1 266.473 3.665 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CCCCC2)C[C@@H]1C ZINC000084982091 1133582868 /nfs/dbraw/zinc/58/28/68/1133582868.db2.gz PXLSYICZUMKNNE-OWCLPIDISA-N 2 1 266.473 3.665 20 0 CHADMP Cc1c(C)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)ccc1Cl ZINC001205591355 1133592105 /nfs/dbraw/zinc/59/21/05/1133592105.db2.gz KYEQSFYNWFXOTN-MRXNPFEDSA-N 2 1 298.833 3.610 20 0 CHADMP CC[C@H]1CCCC[C@@H]1C[NH2+]C[C@@H](C)[NH+](CC)CC ZINC001205639593 1133597815 /nfs/dbraw/zinc/59/78/15/1133597815.db2.gz FFFIYUWRPZDCFH-OWCLPIDISA-N 2 1 254.462 3.523 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC001205718383 1133605972 /nfs/dbraw/zinc/60/59/72/1133605972.db2.gz YGHVDYFEOOLLIF-JYJNAYRXSA-N 2 1 266.473 3.665 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC001205718383 1133605976 /nfs/dbraw/zinc/60/59/76/1133605976.db2.gz YGHVDYFEOOLLIF-JYJNAYRXSA-N 2 1 266.473 3.665 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC001205718382 1133606460 /nfs/dbraw/zinc/60/64/60/1133606460.db2.gz YGHVDYFEOOLLIF-HRCADAONSA-N 2 1 266.473 3.665 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC001205718382 1133606461 /nfs/dbraw/zinc/60/64/61/1133606461.db2.gz YGHVDYFEOOLLIF-HRCADAONSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c2ccccc12 ZINC001205904883 1133628257 /nfs/dbraw/zinc/62/82/57/1133628257.db2.gz XXQFEFVOTBWYAU-CVEARBPZSA-N 2 1 282.431 3.707 20 0 CHADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC001205901483 1133628646 /nfs/dbraw/zinc/62/86/46/1133628646.db2.gz COPXMNWIPLKQDH-OXJNMPFZSA-N 2 1 294.442 3.913 20 0 CHADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC001205926597 1133631284 /nfs/dbraw/zinc/63/12/84/1133631284.db2.gz SBBSVYRSCSXSKM-KURKYZTESA-N 2 1 280.500 3.913 20 0 CHADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC001205926598 1133631593 /nfs/dbraw/zinc/63/15/93/1133631593.db2.gz SBBSVYRSCSXSKM-SQNIBIBYSA-N 2 1 280.500 3.913 20 0 CHADMP Cc1ccc(Cl)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1F ZINC001205996564 1133639473 /nfs/dbraw/zinc/63/94/73/1133639473.db2.gz XHMVOSPLNGEWBR-OLZOCXBDSA-N 2 1 298.833 3.594 20 0 CHADMP CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001206011510 1133641119 /nfs/dbraw/zinc/64/11/19/1133641119.db2.gz CZTDFLNYJSKZSA-LPHOPBHVSA-N 2 1 288.479 3.692 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccc(C3CCC3)cc2)CCC[C@@H]1C[NH3+] ZINC001206025391 1133643338 /nfs/dbraw/zinc/64/33/38/1133643338.db2.gz NVHUPNCMCFBRQZ-DNVCBOLYSA-N 2 1 286.463 3.761 20 0 CHADMP CSc1cc(C)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206035712 1133646394 /nfs/dbraw/zinc/64/63/94/1133646394.db2.gz CUTZWQATRQYHKA-HOCLYGCPSA-N 2 1 292.492 3.524 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001206043632 1133647545 /nfs/dbraw/zinc/64/75/45/1133647545.db2.gz OTTVHKOAJXJFSM-OXQOHEQNSA-N 2 1 294.442 3.831 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001206043632 1133647549 /nfs/dbraw/zinc/64/75/49/1133647549.db2.gz OTTVHKOAJXJFSM-OXQOHEQNSA-N 2 1 294.442 3.831 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](CC)Cc1ccccc1 ZINC001206127555 1133661444 /nfs/dbraw/zinc/66/14/44/1133661444.db2.gz IMGLRLGUIKCQQO-FUHWJXTLSA-N 2 1 276.468 3.718 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](CC)Cc1ccccc1 ZINC001206127555 1133661443 /nfs/dbraw/zinc/66/14/43/1133661443.db2.gz IMGLRLGUIKCQQO-FUHWJXTLSA-N 2 1 276.468 3.718 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206188833 1133669178 /nfs/dbraw/zinc/66/91/78/1133669178.db2.gz VZVAGOMCYCUIMZ-DLBZAZTESA-N 2 1 292.442 3.635 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206188840 1133669256 /nfs/dbraw/zinc/66/92/56/1133669256.db2.gz VZVAGOMCYCUIMZ-IRXDYDNUSA-N 2 1 292.442 3.635 20 0 CHADMP CC[C@H]1CCC[C@@H](C[NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC001206256211 1133677750 /nfs/dbraw/zinc/67/77/50/1133677750.db2.gz NHVJEEKSEHJSFE-JKSUJKDBSA-N 2 1 266.473 3.667 20 0 CHADMP CC[C@H]1CCC[C@@H](C[NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC001206256211 1133677753 /nfs/dbraw/zinc/67/77/53/1133677753.db2.gz NHVJEEKSEHJSFE-JKSUJKDBSA-N 2 1 266.473 3.667 20 0 CHADMP Cc1csc2sc(C[N@H+]3CC[NH2+]C[C@H](C)C3)c(C)c12 ZINC001206276599 1133680799 /nfs/dbraw/zinc/68/07/99/1133680799.db2.gz HCBPKTKGOYPFDG-JTQLQIEISA-N 2 1 294.489 3.621 20 0 CHADMP Cc1csc2sc(C[N@@H+]3CC[NH2+]C[C@H](C)C3)c(C)c12 ZINC001206276599 1133680802 /nfs/dbraw/zinc/68/08/02/1133680802.db2.gz HCBPKTKGOYPFDG-JTQLQIEISA-N 2 1 294.489 3.621 20 0 CHADMP CCn1ccc2c1cccc2C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206305072 1133686521 /nfs/dbraw/zinc/68/65/21/1133686521.db2.gz SLJPFGWHHGBDLF-LJQANCHMSA-N 2 1 299.462 3.612 20 0 CHADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC001206540770 1133715020 /nfs/dbraw/zinc/71/50/20/1133715020.db2.gz CURKWLIXDADOED-IBGZPJMESA-N 2 1 282.431 3.791 20 0 CHADMP Cc1csc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c1Cl ZINC001206549442 1133715641 /nfs/dbraw/zinc/71/56/41/1133715641.db2.gz NBXHXJPGSLANID-AWEZNQCLSA-N 2 1 286.872 3.661 20 0 CHADMP Cc1csc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1Cl ZINC001206549442 1133715642 /nfs/dbraw/zinc/71/56/42/1133715642.db2.gz NBXHXJPGSLANID-AWEZNQCLSA-N 2 1 286.872 3.661 20 0 CHADMP CC1=CC[C@H](CC[N@H+]2CCCC[C@@](C)(C[NH3+])C2)C1(C)C ZINC001206542008 1133716009 /nfs/dbraw/zinc/71/60/09/1133716009.db2.gz PCTFTCMVZJMCNY-AEFFLSMTSA-N 2 1 278.484 3.820 20 0 CHADMP Cc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc(C)c1Cl ZINC001206575750 1133720218 /nfs/dbraw/zinc/72/02/18/1133720218.db2.gz XTLRASGSEJUSKM-KRWDZBQOSA-N 2 1 294.870 3.908 20 0 CHADMP CC(C)[N@@H+](CCCC1CCCC1)[C@@H]1CCC[NH2+]CC1 ZINC001206583779 1133722460 /nfs/dbraw/zinc/72/24/60/1133722460.db2.gz WKIGSISZVWRQBB-QGZVFWFLSA-N 2 1 266.473 3.809 20 0 CHADMP Cc1cc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(C)s1 ZINC001206588545 1133722844 /nfs/dbraw/zinc/72/28/44/1133722844.db2.gz AZULUKVBPODXMH-INIZCTEOSA-N 2 1 280.481 3.717 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206771449 1133747246 /nfs/dbraw/zinc/74/72/46/1133747246.db2.gz WTRFQJQGQZNZIK-OCCSQVGLSA-N 2 1 288.460 3.769 20 0 CHADMP CSc1cccc(Cl)c1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206812544 1133751810 /nfs/dbraw/zinc/75/18/10/1133751810.db2.gz ZJQQXMIDXWCSQQ-NEPJUHHUSA-N 2 1 298.883 3.621 20 0 CHADMP CSc1cccc(Cl)c1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206812544 1133751811 /nfs/dbraw/zinc/75/18/11/1133751811.db2.gz ZJQQXMIDXWCSQQ-NEPJUHHUSA-N 2 1 298.883 3.621 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC001207103655 1133766739 /nfs/dbraw/zinc/76/67/39/1133766739.db2.gz YSSOERHSZUSADQ-BHIYHBOVSA-N 2 1 298.474 3.677 20 0 CHADMP c1ccc(C[NH+]2CCC(C[N@H+]3CCC34CCCC4)CC2)cc1 ZINC001207287666 1133788790 /nfs/dbraw/zinc/78/87/90/1133788790.db2.gz WCQUOKKPJAOKDF-UHFFFAOYSA-N 2 1 298.474 3.917 20 0 CHADMP C[C@H](C[N@@H+](C)CCCC[NH+]1CCCCC1)c1ccccc1 ZINC001207302958 1133789969 /nfs/dbraw/zinc/78/99/69/1133789969.db2.gz WTDAMWIKDVIQMQ-GOSISDBHSA-N 2 1 288.479 3.988 20 0 CHADMP C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2c2ccccc2)CC1 ZINC001207479593 1133805881 /nfs/dbraw/zinc/80/58/81/1133805881.db2.gz KKHDNWUHCAJSPC-LJQANCHMSA-N 2 1 286.463 3.946 20 0 CHADMP C[N@H+](CCCc1cccc(Cl)c1)CCC[NH+]1CCCC1 ZINC001207590030 1133823997 /nfs/dbraw/zinc/82/39/97/1133823997.db2.gz ZGDQYHRYYIQXKI-UHFFFAOYSA-N 2 1 294.870 3.690 20 0 CHADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001207627229 1133832082 /nfs/dbraw/zinc/83/20/82/1133832082.db2.gz UNYOHMFZXPXQFZ-RDGPPVDQSA-N 2 1 288.479 3.539 20 0 CHADMP CCC[N@@H+](CCCCc1ccccc1)CCC[NH+](C)C ZINC001207615514 1133832646 /nfs/dbraw/zinc/83/26/46/1133832646.db2.gz YNGCSNRKLJBBNP-UHFFFAOYSA-N 2 1 276.468 3.673 20 0 CHADMP CC(C)C(C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1)C(C)C ZINC001207783163 1133847475 /nfs/dbraw/zinc/84/74/75/1133847475.db2.gz BTRNSNYSZALIOM-GVDBMIGSSA-N 2 1 280.500 3.577 20 0 CHADMP CC(C)[NH+]1CCC(C[N@@H+](C)C[C@@H](C)c2ccccc2)CC1 ZINC001207903751 1133860212 /nfs/dbraw/zinc/86/02/12/1133860212.db2.gz AKKGJASXWZJISR-QGZVFWFLSA-N 2 1 288.479 3.842 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCC[C@H]2C)CC1 ZINC000088683794 1133874988 /nfs/dbraw/zinc/87/49/88/1133874988.db2.gz KMALQEPCQQOWJA-APWZRJJASA-N 2 1 286.463 3.738 20 0 CHADMP CS[C@H](C)CC[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001208151737 1133887204 /nfs/dbraw/zinc/88/72/04/1133887204.db2.gz XXYDJLWVJDWVOO-OAHLLOKOSA-N 2 1 298.540 3.857 20 0 CHADMP CC(C)[N@H+](C[C@H]1CCC[NH+](C)C1)[C@@H](C)c1ccccc1 ZINC001208615130 1133918943 /nfs/dbraw/zinc/91/89/43/1133918943.db2.gz PVKWFTFYQOIHKP-IRXDYDNUSA-N 2 1 274.452 3.800 20 0 CHADMP CC(C)[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@@H](C)c1ccccc1 ZINC001208615130 1133918949 /nfs/dbraw/zinc/91/89/49/1133918949.db2.gz PVKWFTFYQOIHKP-IRXDYDNUSA-N 2 1 274.452 3.800 20 0 CHADMP CC(C)[NH+](C[C@H]1CCC[N@H+](C)C1)[C@@H](C)c1ccccc1 ZINC001208615130 1133918953 /nfs/dbraw/zinc/91/89/53/1133918953.db2.gz PVKWFTFYQOIHKP-IRXDYDNUSA-N 2 1 274.452 3.800 20 0 CHADMP CC(C)[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@@H](C)c1ccccc1 ZINC001208615130 1133918959 /nfs/dbraw/zinc/91/89/59/1133918959.db2.gz PVKWFTFYQOIHKP-IRXDYDNUSA-N 2 1 274.452 3.800 20 0 CHADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@H]2c2ccccc2Cl)C1 ZINC001208610193 1133919284 /nfs/dbraw/zinc/91/92/84/1133919284.db2.gz ZRIOCKRBWGIUNX-PBHICJAKSA-N 2 1 292.854 3.819 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@H]2c2ccccc2Cl)C1 ZINC001208610193 1133919289 /nfs/dbraw/zinc/91/92/89/1133919289.db2.gz ZRIOCKRBWGIUNX-PBHICJAKSA-N 2 1 292.854 3.819 20 0 CHADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2ccccc2Cl)C1 ZINC001208610193 1133919294 /nfs/dbraw/zinc/91/92/94/1133919294.db2.gz ZRIOCKRBWGIUNX-PBHICJAKSA-N 2 1 292.854 3.819 20 0 CHADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@H]2c2ccccc2Cl)C1 ZINC001208610193 1133919297 /nfs/dbraw/zinc/91/92/97/1133919297.db2.gz ZRIOCKRBWGIUNX-PBHICJAKSA-N 2 1 292.854 3.819 20 0 CHADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+](CCC2CC2)CC1 ZINC001208684174 1133927185 /nfs/dbraw/zinc/92/71/85/1133927185.db2.gz SFWQIBUIIBFDTQ-UHFFFAOYSA-N 2 1 286.463 3.773 20 0 CHADMP CCC(CC)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208951288 1133965514 /nfs/dbraw/zinc/96/55/14/1133965514.db2.gz BJUOIBDVZNSLND-QGZVFWFLSA-N 2 1 274.452 3.629 20 0 CHADMP CCC(CC)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208951288 1133965519 /nfs/dbraw/zinc/96/55/19/1133965519.db2.gz BJUOIBDVZNSLND-QGZVFWFLSA-N 2 1 274.452 3.629 20 0 CHADMP CCC(CC)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208951288 1133965525 /nfs/dbraw/zinc/96/55/25/1133965525.db2.gz BJUOIBDVZNSLND-QGZVFWFLSA-N 2 1 274.452 3.629 20 0 CHADMP CCC[NH+](CCC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208945822 1133966764 /nfs/dbraw/zinc/96/67/64/1133966764.db2.gz DTSOSFDUZGDHDU-SFHVURJKSA-N 2 1 274.452 3.631 20 0 CHADMP CC[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208935025 1133967089 /nfs/dbraw/zinc/96/70/89/1133967089.db2.gz HQFPGQZGKFGZAI-MOPGFXCFSA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208935025 1133967093 /nfs/dbraw/zinc/96/70/93/1133967093.db2.gz HQFPGQZGKFGZAI-MOPGFXCFSA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@H]1CCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208935025 1133967098 /nfs/dbraw/zinc/96/70/98/1133967098.db2.gz HQFPGQZGKFGZAI-MOPGFXCFSA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@H]1CCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208935025 1133967101 /nfs/dbraw/zinc/96/71/01/1133967101.db2.gz HQFPGQZGKFGZAI-MOPGFXCFSA-N 2 1 286.463 3.773 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001209289119 1134003899 /nfs/dbraw/zinc/00/38/99/1134003899.db2.gz YYZOUFPTEJYXLT-OSFIAYCASA-N 2 1 278.484 3.787 20 0 CHADMP C[N@H+](CCC[NH+]1CCCCC1)CCc1ccccc1Cl ZINC001209450817 1134023662 /nfs/dbraw/zinc/02/36/62/1134023662.db2.gz MEUAWJIOAGSGSP-UHFFFAOYSA-N 2 1 294.870 3.690 20 0 CHADMP C[N@@H+](CCC[NH+]1CCCCC1)CCc1ccccc1Cl ZINC001209450817 1134023665 /nfs/dbraw/zinc/02/36/65/1134023665.db2.gz MEUAWJIOAGSGSP-UHFFFAOYSA-N 2 1 294.870 3.690 20 0 CHADMP CC[N@H+](CCC[NH+](C)C)Cc1cc2cc(Cl)ccc2[nH]1 ZINC001209724774 1134055494 /nfs/dbraw/zinc/05/54/94/1134055494.db2.gz IXCBRSRTUDZDLO-UHFFFAOYSA-N 2 1 293.842 3.595 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc2cc(Cl)ccc2[nH]1 ZINC001209724774 1134055501 /nfs/dbraw/zinc/05/55/01/1134055501.db2.gz IXCBRSRTUDZDLO-UHFFFAOYSA-N 2 1 293.842 3.595 20 0 CHADMP CC1(C)CCC(c2ccc(C[NH+]3CC(C[NH3+])C3)cc2)CC1 ZINC001210543526 1134243670 /nfs/dbraw/zinc/24/36/70/1134243670.db2.gz DYJNOXCTMWXHRC-UHFFFAOYSA-N 2 1 286.463 3.761 20 0 CHADMP Cc1[nH+]c2ccccn2c1NC1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001210704439 1134275373 /nfs/dbraw/zinc/27/53/73/1134275373.db2.gz HHYFIJZGCZILNV-INIZCTEOSA-N 2 1 296.418 3.587 20 0 CHADMP Cc1cccc2[nH+]cc(NC3=CC[C@@H]([NH+]4CCCC4)CC3)n21 ZINC001210708704 1134276445 /nfs/dbraw/zinc/27/64/45/1134276445.db2.gz PAXZRKNPSCFKCX-MRXNPFEDSA-N 2 1 296.418 3.587 20 0 CHADMP C[NH2+]Cc1cccc(Nc2ccc3c[nH+]ccc3c2)c1F ZINC001216223180 1134811762 /nfs/dbraw/zinc/81/17/62/1134811762.db2.gz KTKVSDPPEZOZIX-UHFFFAOYSA-N 2 1 281.334 3.837 20 0 CHADMP CCC[C@H](C)C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222153885 1135201013 /nfs/dbraw/zinc/20/10/13/1135201013.db2.gz CAAOEKWCQMBBFG-IRXDYDNUSA-N 2 1 266.473 3.668 20 0 CHADMP C1=CC[C@H](C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CC1 ZINC001222154837 1135201110 /nfs/dbraw/zinc/20/11/10/1135201110.db2.gz RMXAJEUTZMHXIJ-ZWKOTPCHSA-N 2 1 276.468 3.589 20 0 CHADMP C(C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1)C1CCCC1 ZINC001222153954 1135201268 /nfs/dbraw/zinc/20/12/68/1135201268.db2.gz DNAHJWAEUGCRIR-SFHVURJKSA-N 2 1 278.484 3.813 20 0 CHADMP CC/C=C\CCC[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222153958 1135201376 /nfs/dbraw/zinc/20/13/76/1135201376.db2.gz DNNFSDDTNXSVSC-JXCVUKRWSA-N 2 1 278.484 3.979 20 0 CHADMP Cc1cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)oc1C ZINC001222160251 1135202626 /nfs/dbraw/zinc/20/26/26/1135202626.db2.gz DDVUEGVEZIDEJX-SFHVURJKSA-N 2 1 290.451 3.642 20 0 CHADMP C[C@H](CC[N@H+]1CCC[C@]12CCC[NH2+]C2)CC(C)(C)C ZINC001222232324 1135211318 /nfs/dbraw/zinc/21/13/18/1135211318.db2.gz UXMSJFJFCIHRBD-WBVHZDCISA-N 2 1 266.473 3.667 20 0 CHADMP c1sc2ccccc2c1C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222243612 1135213177 /nfs/dbraw/zinc/21/31/77/1135213177.db2.gz NINWREFCRUVVBM-QGZVFWFLSA-N 2 1 286.444 3.619 20 0 CHADMP c1sc2ccccc2c1C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222243612 1135213180 /nfs/dbraw/zinc/21/31/80/1135213180.db2.gz NINWREFCRUVVBM-QGZVFWFLSA-N 2 1 286.444 3.619 20 0 CHADMP CC1=CC[C@H](CC[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)C1(C)C ZINC001222259152 1135215859 /nfs/dbraw/zinc/21/58/59/1135215859.db2.gz LLPKMXFLLYOCBL-MJGOQNOKSA-N 2 1 290.495 3.835 20 0 CHADMP CC(C)c1cccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001222278239 1135217367 /nfs/dbraw/zinc/21/73/67/1135217367.db2.gz YRFVFTXNUKROOH-LJQANCHMSA-N 2 1 286.463 3.776 20 0 CHADMP C[C@H](C[N@@H+]1CCC[C@@]2(CC[NH2+]2)C1)c1cccc2ccccc21 ZINC001222283352 1135217413 /nfs/dbraw/zinc/21/74/13/1135217413.db2.gz XECQQVQLPMOBRU-OXQOHEQNSA-N 2 1 294.442 3.771 20 0 CHADMP C[C@H](C[N@H+]1CCC[C@@]2(CC[NH2+]2)C1)c1cccc2ccccc21 ZINC001222283352 1135217417 /nfs/dbraw/zinc/21/74/17/1135217417.db2.gz XECQQVQLPMOBRU-OXQOHEQNSA-N 2 1 294.442 3.771 20 0 CHADMP C[C@@H](C[N@@H+]1CCC[C@]2(CC[NH2+]2)C1)c1cccc2ccccc21 ZINC001222283350 1135217504 /nfs/dbraw/zinc/21/75/04/1135217504.db2.gz XECQQVQLPMOBRU-JXFKEZNVSA-N 2 1 294.442 3.771 20 0 CHADMP C[C@@H](C[N@H+]1CCC[C@]2(CC[NH2+]2)C1)c1cccc2ccccc21 ZINC001222283350 1135217509 /nfs/dbraw/zinc/21/75/09/1135217509.db2.gz XECQQVQLPMOBRU-JXFKEZNVSA-N 2 1 294.442 3.771 20 0 CHADMP CC1=C[C@H](C)[C@H](C[NH+]2CCC3(CCCC[NH2+]3)CC2)CC1 ZINC001222287375 1135218540 /nfs/dbraw/zinc/21/85/40/1135218540.db2.gz IEDBFHMMECTXDA-IRXDYDNUSA-N 2 1 276.468 3.587 20 0 CHADMP c1cc2c(cccc2C[NH+]2CCC3(CCCC[NH2+]3)CC2)o1 ZINC001222297912 1135219622 /nfs/dbraw/zinc/21/96/22/1135219622.db2.gz NIBSUXXNUQOCTO-UHFFFAOYSA-N 2 1 284.403 3.541 20 0 CHADMP CSc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1 ZINC001222307728 1135222196 /nfs/dbraw/zinc/22/21/96/1135222196.db2.gz ARXYWOIOSGKNED-QGZVFWFLSA-N 2 1 290.476 3.517 20 0 CHADMP Clc1csc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222315932 1135223790 /nfs/dbraw/zinc/22/37/90/1135223790.db2.gz RKDIOXVMHCQATH-AWEZNQCLSA-N 2 1 284.856 3.510 20 0 CHADMP Clc1csc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222315932 1135223784 /nfs/dbraw/zinc/22/37/84/1135223784.db2.gz RKDIOXVMHCQATH-AWEZNQCLSA-N 2 1 284.856 3.510 20 0 CHADMP Cc1ccc(Cl)cc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222321564 1135225459 /nfs/dbraw/zinc/22/54/59/1135225459.db2.gz ZAZRULKRXNPYGM-QGZVFWFLSA-N 2 1 292.854 3.757 20 0 CHADMP C[C@H](CC[N@H+]1CCC[C@]2(CCC[NH2+]2)C1)CC(C)(C)C ZINC001222345029 1135229504 /nfs/dbraw/zinc/22/95/04/1135229504.db2.gz GYKLXPBVAOPLLQ-NVXWUHKLSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@H](CC[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1)CC(C)(C)C ZINC001222345029 1135229502 /nfs/dbraw/zinc/22/95/02/1135229502.db2.gz GYKLXPBVAOPLLQ-NVXWUHKLSA-N 2 1 266.473 3.667 20 0 CHADMP CC/C=C\CCCCCC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222464917 1135244249 /nfs/dbraw/zinc/24/42/49/1135244249.db2.gz HXWKUONRGQNBJL-LIMHQNJXSA-N 2 1 264.457 3.731 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222464917 1135244253 /nfs/dbraw/zinc/24/42/53/1135244253.db2.gz HXWKUONRGQNBJL-LIMHQNJXSA-N 2 1 264.457 3.731 20 0 CHADMP CC/C=C\CCCCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222623541 1135256134 /nfs/dbraw/zinc/25/61/34/1135256134.db2.gz LWSVBBVNCFVXRW-FEFURNDJSA-N 2 1 278.484 3.835 20 0 CHADMP C[C@@H](C[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21)c1cccc2ccccc21 ZINC001222616190 1135256649 /nfs/dbraw/zinc/25/66/49/1135256649.db2.gz ZCXRELJYXOTHKF-RIFZZMRRSA-N 2 1 294.442 3.627 20 0 CHADMP c1cc(-c2ccccc2)sc1C[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222620228 1135256772 /nfs/dbraw/zinc/25/67/72/1135256772.db2.gz HRIUOWVHFKTLEN-DOTOQJQBSA-N 2 1 298.455 3.599 20 0 CHADMP C[C@H](CC[NH+]1CCC2(CCC[NH2+]2)CC1)CC(C)(C)C ZINC001226783964 1135741518 /nfs/dbraw/zinc/74/15/18/1135741518.db2.gz INDDYOOKNMTVGR-OAHLLOKOSA-N 2 1 266.473 3.667 20 0 CHADMP CC[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1F ZINC000352793311 529671071 /nfs/dbraw/zinc/67/10/71/529671071.db2.gz AZRPECYVGAECBE-ZQIUZPCESA-N 2 1 278.415 3.739 20 0 CHADMP CC1=C[C@@H](C)C[C@H](C[N@H+](C)C2CC[NH+](C(C)C)CC2)C1 ZINC000574491869 335023766 /nfs/dbraw/zinc/02/37/66/335023766.db2.gz FQMYGDKXLPCOIE-WBVHZDCISA-N 2 1 278.484 3.783 20 0 CHADMP CC(C)CC[C@H]1CCC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000574766166 335045998 /nfs/dbraw/zinc/04/59/98/335045998.db2.gz FMAWGMXCFSASEH-NVXWUHKLSA-N 2 1 277.456 3.547 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)c(C)o1 ZINC000020439208 171203414 /nfs/dbraw/zinc/20/34/14/171203414.db2.gz AYOBHAIJZQLOGO-OAHLLOKOSA-N 2 1 278.440 3.669 20 0 CHADMP CCC(CC)[C@H](C[NH2+]C1CCC(C)CC1)[NH+](C)C ZINC000021519087 171314955 /nfs/dbraw/zinc/31/49/55/171314955.db2.gz DXHNIZHCAAXMNT-BCLQGDPASA-N 2 1 254.462 3.521 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCCCCCC1 ZINC000021813435 171330966 /nfs/dbraw/zinc/33/09/66/171330966.db2.gz KYRHJXXKOYQUQZ-MRXNPFEDSA-N 2 1 266.473 3.953 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000038097990 174111639 /nfs/dbraw/zinc/11/16/39/174111639.db2.gz UGHKVYQLPCPNLM-NSHDSACASA-N 2 1 284.806 3.614 20 0 CHADMP CCCCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000078776036 177385547 /nfs/dbraw/zinc/38/55/47/177385547.db2.gz TVZUXKBSGSXYMV-QGZVFWFLSA-N 2 1 266.473 3.765 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc2ccccc2s1 ZINC000347477539 226178686 /nfs/dbraw/zinc/17/86/86/226178686.db2.gz CRVYHVGCYSCXIY-UHFFFAOYSA-N 2 1 299.443 3.928 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc2ccccc2s1 ZINC000347477539 226178689 /nfs/dbraw/zinc/17/86/89/226178689.db2.gz CRVYHVGCYSCXIY-UHFFFAOYSA-N 2 1 299.443 3.928 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C(C)(C)C)C[C@H]1C ZINC000347589667 226210266 /nfs/dbraw/zinc/21/02/66/226210266.db2.gz YNFMNMHIWMYUTP-GDBMZVCRSA-N 2 1 277.456 3.728 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C(C)(C)C)C[C@H]1C ZINC000347589667 226210268 /nfs/dbraw/zinc/21/02/68/226210268.db2.gz YNFMNMHIWMYUTP-GDBMZVCRSA-N 2 1 277.456 3.728 20 0 CHADMP [NH3+]CCC[N@H+](Cc1cnc2ccccc2c1)CC1CCCC1 ZINC000352541543 227050755 /nfs/dbraw/zinc/05/07/55/227050755.db2.gz ZBARVUWBESMNDR-UHFFFAOYSA-N 2 1 297.446 3.576 20 0 CHADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352757026 227206733 /nfs/dbraw/zinc/20/67/33/227206733.db2.gz CYZXIJHIUYVSAZ-TZMCWYRMSA-N 2 1 295.496 3.509 20 0 CHADMP Cc1ccc(CCC[N@H+]2CCc3ccccc3[C@H]2C)cn1 ZINC000353614131 228131116 /nfs/dbraw/zinc/13/11/16/228131116.db2.gz GRQDCVGPLKEQJO-MRXNPFEDSA-N 2 1 280.415 3.942 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@](C)(c2ccccc2)CC1 ZINC000352186177 228195951 /nfs/dbraw/zinc/19/59/51/228195951.db2.gz JQVUAJUQJLBZDT-IBGZPJMESA-N 2 1 297.446 3.635 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@](C)(c2ccccc2)CC1 ZINC000352186177 228195952 /nfs/dbraw/zinc/19/59/52/228195952.db2.gz JQVUAJUQJLBZDT-IBGZPJMESA-N 2 1 297.446 3.635 20 0 CHADMP CC(C)[C@@H](C[NH2+]C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000513006940 260093552 /nfs/dbraw/zinc/09/35/52/260093552.db2.gz GNVJVAKQOLXRDB-QGZVFWFLSA-N 2 1 294.870 3.763 20 0 CHADMP CC(C)C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000037649390 260115648 /nfs/dbraw/zinc/11/56/48/260115648.db2.gz DBPKWUUGGDONMT-APWZRJJASA-N 2 1 286.463 3.848 20 0 CHADMP C[C@@H](C[NH2+]Cc1sccc1Cl)C[NH+]1CCCCC1 ZINC000394042143 260185994 /nfs/dbraw/zinc/18/59/94/260185994.db2.gz GANHHQZHUNDMNU-LBPRGKRZSA-N 2 1 286.872 3.613 20 0 CHADMP CC(C)CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000449176725 260272965 /nfs/dbraw/zinc/27/29/65/260272965.db2.gz UEWQBABFLODTEZ-YVSFHVDLSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000449176725 260272967 /nfs/dbraw/zinc/27/29/67/260272967.db2.gz UEWQBABFLODTEZ-YVSFHVDLSA-N 2 1 266.473 3.664 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(C)c1 ZINC000088163968 260280544 /nfs/dbraw/zinc/28/05/44/260280544.db2.gz QAIPJTKUGXBJGW-CSNJMZFVSA-N 2 1 286.463 3.969 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC000088163968 260280546 /nfs/dbraw/zinc/28/05/46/260280546.db2.gz QAIPJTKUGXBJGW-CSNJMZFVSA-N 2 1 286.463 3.969 20 0 CHADMP C/C(=C/c1ccccc1)C[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000518269486 260364712 /nfs/dbraw/zinc/36/47/12/260364712.db2.gz DCWOTZMICKNYQQ-BLMOFCDVSA-N 2 1 286.463 3.800 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000128132716 260372036 /nfs/dbraw/zinc/37/20/36/260372036.db2.gz MYZSICZJAXHFPC-SFHVURJKSA-N 2 1 290.426 3.741 20 0 CHADMP CC[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000152177005 261060535 /nfs/dbraw/zinc/06/05/35/261060535.db2.gz SAQIPMHNYCSBKN-OLZOCXBDSA-N 2 1 257.381 3.630 20 0 CHADMP Cc1cc([C@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)c(C)s1 ZINC000052206020 261075141 /nfs/dbraw/zinc/07/51/41/261075141.db2.gz NCPJBZDHRZAGTO-DZGCQCFKSA-N 2 1 280.481 3.890 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccco1 ZINC000154873026 261095528 /nfs/dbraw/zinc/09/55/28/261095528.db2.gz DPYRSVAQUAAYHR-HNNXBMFYSA-N 2 1 286.419 3.971 20 0 CHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCCF)CC1 ZINC000360993339 261143624 /nfs/dbraw/zinc/14/36/24/261143624.db2.gz ATQOJSWWNFSKLH-UHFFFAOYSA-N 2 1 292.442 3.769 20 0 CHADMP c1ccc2c(c1)CCC[C@H]2[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173602907 261166474 /nfs/dbraw/zinc/16/64/74/261166474.db2.gz BSBSADLMZWLCMY-YLJYHZDGSA-N 2 1 298.474 3.872 20 0 CHADMP CC1=C[C@H](C)C[C@@H](C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000300161603 261178584 /nfs/dbraw/zinc/17/85/84/261178584.db2.gz SMZRZQFBJHWYGU-JWNBLRDTSA-N 2 1 276.468 3.584 20 0 CHADMP c1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000161605736 261253846 /nfs/dbraw/zinc/25/38/46/261253846.db2.gz LLSWZHQRDQURBB-AKHDSKFASA-N 2 1 284.447 3.539 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000164592875 261355215 /nfs/dbraw/zinc/35/52/15/261355215.db2.gz QIQBTGPTHIKTNA-INIZCTEOSA-N 2 1 299.462 3.928 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000164685446 261357739 /nfs/dbraw/zinc/35/77/39/261357739.db2.gz ZBAIMMSHCZRFME-CYBMUJFWSA-N 2 1 291.826 3.976 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000165630642 261374325 /nfs/dbraw/zinc/37/43/25/261374325.db2.gz ZIBOTMGEPOQLFN-MSOLQXFVSA-N 2 1 283.419 3.508 20 0 CHADMP Cc1cccc(NCc2ccccc2C[NH+]2CCCC2)[nH+]1 ZINC000172058780 261491384 /nfs/dbraw/zinc/49/13/84/261491384.db2.gz NCPFMTLYNOPOES-UHFFFAOYSA-N 2 1 281.403 3.598 20 0 CHADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)C2CC2)c2ccccc21 ZINC000228285042 261907967 /nfs/dbraw/zinc/90/79/67/261907967.db2.gz ZXWJXWNFOGBAIK-CEXWTWQISA-N 2 1 278.399 3.872 20 0 CHADMP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(Cl)nc1 ZINC000183953982 262001673 /nfs/dbraw/zinc/00/16/73/262001673.db2.gz UJSANUYLHDADLO-ZDUSSCGKSA-N 2 1 295.858 3.508 20 0 CHADMP Cc1cncc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000184281067 262014671 /nfs/dbraw/zinc/01/46/71/262014671.db2.gz PBWLWDIIHPGPKT-DOTOQJQBSA-N 2 1 289.467 3.553 20 0 CHADMP CCSc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000186241879 262085297 /nfs/dbraw/zinc/08/52/97/262085297.db2.gz OUADMEQOEQFVEZ-ZBFHGGJFSA-N 2 1 292.492 3.713 20 0 CHADMP CCSc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000186241879 262085299 /nfs/dbraw/zinc/08/52/99/262085299.db2.gz OUADMEQOEQFVEZ-ZBFHGGJFSA-N 2 1 292.492 3.713 20 0 CHADMP CCSc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000186241879 262085300 /nfs/dbraw/zinc/08/53/00/262085300.db2.gz OUADMEQOEQFVEZ-ZBFHGGJFSA-N 2 1 292.492 3.713 20 0 CHADMP CCSc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000186241879 262085302 /nfs/dbraw/zinc/08/53/02/262085302.db2.gz OUADMEQOEQFVEZ-ZBFHGGJFSA-N 2 1 292.492 3.713 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CCC2)[C@H]2CCC[C@H]21 ZINC000514088526 262185226 /nfs/dbraw/zinc/18/52/26/262185226.db2.gz MBNVPHFZMMMIDW-CEXWTWQISA-N 2 1 298.474 3.571 20 0 CHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(F)c(F)c1 ZINC000019913127 262205855 /nfs/dbraw/zinc/20/58/55/262205855.db2.gz BZPFLHSIXPHXQS-KGLIPLIRSA-N 2 1 296.405 3.880 20 0 CHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(F)c(F)c1 ZINC000019913127 262205857 /nfs/dbraw/zinc/20/58/57/262205857.db2.gz BZPFLHSIXPHXQS-KGLIPLIRSA-N 2 1 296.405 3.880 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1Cc1ccccc1 ZINC000502694570 262225419 /nfs/dbraw/zinc/22/54/19/262225419.db2.gz RGTZFVJCTDSCBU-RBUKOAKNSA-N 2 1 286.463 3.568 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000502694570 262225420 /nfs/dbraw/zinc/22/54/20/262225420.db2.gz RGTZFVJCTDSCBU-RBUKOAKNSA-N 2 1 286.463 3.568 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000502694570 262225421 /nfs/dbraw/zinc/22/54/21/262225421.db2.gz RGTZFVJCTDSCBU-RBUKOAKNSA-N 2 1 286.463 3.568 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1Cc1ccccc1 ZINC000502694571 262225475 /nfs/dbraw/zinc/22/54/75/262225475.db2.gz RGTZFVJCTDSCBU-RTBURBONSA-N 2 1 286.463 3.568 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000502694571 262225476 /nfs/dbraw/zinc/22/54/76/262225476.db2.gz RGTZFVJCTDSCBU-RTBURBONSA-N 2 1 286.463 3.568 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000502694571 262225477 /nfs/dbraw/zinc/22/54/77/262225477.db2.gz RGTZFVJCTDSCBU-RTBURBONSA-N 2 1 286.463 3.568 20 0 CHADMP CCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000221779693 262296316 /nfs/dbraw/zinc/29/63/16/262296316.db2.gz WSAHBGKYOLQWAI-XIRDDKMYSA-N 2 1 260.425 3.600 20 0 CHADMP CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000221779693 262296317 /nfs/dbraw/zinc/29/63/17/262296317.db2.gz WSAHBGKYOLQWAI-XIRDDKMYSA-N 2 1 260.425 3.600 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000221781715 262296320 /nfs/dbraw/zinc/29/63/20/262296320.db2.gz MOWMRZFJZMREQQ-UHFFFAOYSA-N 2 1 289.250 3.813 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000221781715 262296321 /nfs/dbraw/zinc/29/63/21/262296321.db2.gz MOWMRZFJZMREQQ-UHFFFAOYSA-N 2 1 289.250 3.813 20 0 CHADMP CC(C)[N@@H+](C)CCCN[C@H]1CCc2cc(Cl)ccc21 ZINC000221925743 262328015 /nfs/dbraw/zinc/32/80/15/262328015.db2.gz UQAOEPFWQOFGLP-INIZCTEOSA-N 2 1 280.843 3.647 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000221925743 262328016 /nfs/dbraw/zinc/32/80/16/262328016.db2.gz UQAOEPFWQOFGLP-INIZCTEOSA-N 2 1 280.843 3.647 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000221925743 262328018 /nfs/dbraw/zinc/32/80/18/262328018.db2.gz UQAOEPFWQOFGLP-INIZCTEOSA-N 2 1 280.843 3.647 20 0 CHADMP Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414668494 263026213 /nfs/dbraw/zinc/02/62/13/263026213.db2.gz AAZXCONRAZYAHN-RYRKJORJSA-N 2 1 272.436 3.520 20 0 CHADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccc3ccccc3c2)CC[NH2+]1 ZINC000414677402 263030362 /nfs/dbraw/zinc/03/03/62/263030362.db2.gz JBINGTJNEXSGNI-WBVHZDCISA-N 2 1 282.431 3.660 20 0 CHADMP CC[N@H+](Cc1ccc(Cl)cc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414677044 263030500 /nfs/dbraw/zinc/03/05/00/263030500.db2.gz ODUXDBSFAMOOOL-ZFWWWQNUSA-N 2 1 280.843 3.550 20 0 CHADMP Cc1ccc([C@H]2CCC[N@H+]2C[C@H]([NH3+])CC(C)C)s1 ZINC000414685988 263032313 /nfs/dbraw/zinc/03/23/13/263032313.db2.gz ADMRAPHIJKUZLQ-ZIAGYGMSSA-N 2 1 266.454 3.567 20 0 CHADMP Cc1ccc([C@H]2CCC[N@@H+]2C[C@H]([NH3+])CC(C)C)s1 ZINC000414685988 263032314 /nfs/dbraw/zinc/03/23/14/263032314.db2.gz ADMRAPHIJKUZLQ-ZIAGYGMSSA-N 2 1 266.454 3.567 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000414756989 263039621 /nfs/dbraw/zinc/03/96/21/263039621.db2.gz WMXMADWAVJZLSY-OAHLLOKOSA-N 2 1 280.843 3.531 20 0 CHADMP CC[C@H](C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000414788853 263048369 /nfs/dbraw/zinc/04/83/69/263048369.db2.gz XJYZNWNBFXMAJF-QRQLOZEOSA-N 2 1 286.463 3.502 20 0 CHADMP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2c(F)cccc2Cl)cc1 ZINC000414815836 263053901 /nfs/dbraw/zinc/05/39/01/263053901.db2.gz YJIYQRLTTLUXMY-LLVKDONJSA-N 2 1 292.785 3.789 20 0 CHADMP Fc1cc(-c2ccccc2)ccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414839373 263057721 /nfs/dbraw/zinc/05/77/21/263057721.db2.gz XIMYHSRUKIXZKN-OAHLLOKOSA-N 2 1 298.405 3.582 20 0 CHADMP C[C@@H](CC[NH2+][C@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000414854814 263071441 /nfs/dbraw/zinc/07/14/41/263071441.db2.gz VPRDVQSIGPAUTJ-MAUKXSAKSA-N 2 1 274.452 3.677 20 0 CHADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)CCc1ccc(Cl)s1 ZINC000414855835 263072078 /nfs/dbraw/zinc/07/20/78/263072078.db2.gz XKSKRXWVPOXCDA-RYUDHWBXSA-N 2 1 288.888 3.686 20 0 CHADMP Cc1cc2cc(C[NH2+]C[C@@]3(C)CCC[NH2+]C3)oc2cc1C ZINC000414906424 263112894 /nfs/dbraw/zinc/11/28/94/263112894.db2.gz PMICIWNDGYVVOS-SFHVURJKSA-N 2 1 286.419 3.529 20 0 CHADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000414963457 263167617 /nfs/dbraw/zinc/16/76/17/263167617.db2.gz TXHYFHJJWPMLDR-LIRRHRJNSA-N 2 1 298.405 3.580 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415032807 263256840 /nfs/dbraw/zinc/25/68/40/263256840.db2.gz AWFMQGQIHOHBPX-RHSMWYFYSA-N 2 1 292.854 3.612 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1C ZINC000453437179 263274256 /nfs/dbraw/zinc/27/42/56/263274256.db2.gz VHGJVYSSJWVNII-MRXNPFEDSA-N 2 1 274.452 3.828 20 0 CHADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000070169587 264225392 /nfs/dbraw/zinc/22/53/92/264225392.db2.gz ARWMHLCHPYOADY-NSHDSACASA-N 2 1 287.234 3.554 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C2CCCC2)c1 ZINC000065976634 265007725 /nfs/dbraw/zinc/00/77/25/265007725.db2.gz VHGNWHKKXZVICL-UHFFFAOYSA-N 2 1 260.425 3.559 20 0 CHADMP CC[NH+](Cc1ccc(C[N@H+](CC)C2CC2)cc1)C1CC1 ZINC000356461928 266119547 /nfs/dbraw/zinc/11/95/47/266119547.db2.gz OAZHQYXLHJBQJQ-UHFFFAOYSA-N 2 1 272.436 3.655 20 0 CHADMP C[C@@H]1CCC[C@H](C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)C1 ZINC000356996015 266227515 /nfs/dbraw/zinc/22/75/15/266227515.db2.gz GYULFASNOWBEMY-WBVHZDCISA-N 2 1 289.467 3.501 20 0 CHADMP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1cnccc1C ZINC000357777825 266359496 /nfs/dbraw/zinc/35/94/96/266359496.db2.gz KFBVYWSYVXZUGW-MRXNPFEDSA-N 2 1 277.456 3.553 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(F)F)cc2)[C@H]2CCC[C@H]21 ZINC000367591928 267103491 /nfs/dbraw/zinc/10/34/91/267103491.db2.gz AHKYQSPZGAUVOT-OWCLPIDISA-N 2 1 294.389 3.587 20 0 CHADMP CCC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000368401745 267169246 /nfs/dbraw/zinc/16/92/46/267169246.db2.gz GCSYTGGPFPHRNV-CEXWTWQISA-N 2 1 286.463 3.787 20 0 CHADMP CC(C)Sc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000119221188 267311123 /nfs/dbraw/zinc/31/11/23/267311123.db2.gz QNAJINILQARHMQ-MRXNPFEDSA-N 2 1 292.492 3.571 20 0 CHADMP CC(C)Sc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000119221188 267311124 /nfs/dbraw/zinc/31/11/24/267311124.db2.gz QNAJINILQARHMQ-MRXNPFEDSA-N 2 1 292.492 3.571 20 0 CHADMP Cc1ccccc1C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000370534159 267327013 /nfs/dbraw/zinc/32/70/13/267327013.db2.gz RFULLVQBNROCHS-AQNXPRMDSA-N 2 1 298.474 3.533 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)c(C)o1 ZINC000119426706 267334625 /nfs/dbraw/zinc/33/46/25/267334625.db2.gz NHWXGCCMVRTCHF-CQSZACIVSA-N 2 1 290.451 3.954 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1C(C)(C)C ZINC000534353146 328048299 /nfs/dbraw/zinc/04/82/99/328048299.db2.gz PNKIVLVYJXORCQ-CVEARBPZSA-N 2 1 288.479 3.977 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000268776713 328071966 /nfs/dbraw/zinc/07/19/66/328071966.db2.gz AOZIBMDZBPJGGK-JTQLQIEISA-N 2 1 298.217 3.849 20 0 CHADMP CCCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000563553753 328073629 /nfs/dbraw/zinc/07/36/29/328073629.db2.gz LVCNFOTWQBBIRL-UHFFFAOYSA-N 2 1 274.452 3.819 20 0 CHADMP Cc1[nH+]cn(Cc2ccc(C[NH+]3CCCCC3)cc2)c1C ZINC000411271930 328081890 /nfs/dbraw/zinc/08/18/90/328081890.db2.gz SASOBSOJNBGBEZ-UHFFFAOYSA-N 2 1 283.419 3.534 20 0 CHADMP CC(C)Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000571328198 328108624 /nfs/dbraw/zinc/10/86/24/328108624.db2.gz KNEFIRAHUHFZEL-QFBILLFUSA-N 2 1 288.479 3.657 20 0 CHADMP CC(C)Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000571328198 328108625 /nfs/dbraw/zinc/10/86/25/328108625.db2.gz KNEFIRAHUHFZEL-QFBILLFUSA-N 2 1 288.479 3.657 20 0 CHADMP CC(C)Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000571328198 328108627 /nfs/dbraw/zinc/10/86/27/328108627.db2.gz KNEFIRAHUHFZEL-QFBILLFUSA-N 2 1 288.479 3.657 20 0 CHADMP CC(C)Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000571328198 328108629 /nfs/dbraw/zinc/10/86/29/328108629.db2.gz KNEFIRAHUHFZEL-QFBILLFUSA-N 2 1 288.479 3.657 20 0 CHADMP CC(C)Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000571328196 328108777 /nfs/dbraw/zinc/10/87/77/328108777.db2.gz KNEFIRAHUHFZEL-APWZRJJASA-N 2 1 288.479 3.657 20 0 CHADMP CC(C)Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000571328196 328108779 /nfs/dbraw/zinc/10/87/79/328108779.db2.gz KNEFIRAHUHFZEL-APWZRJJASA-N 2 1 288.479 3.657 20 0 CHADMP CC(C)Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000571328196 328108781 /nfs/dbraw/zinc/10/87/81/328108781.db2.gz KNEFIRAHUHFZEL-APWZRJJASA-N 2 1 288.479 3.657 20 0 CHADMP CC(C)Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000571328196 328108782 /nfs/dbraw/zinc/10/87/82/328108782.db2.gz KNEFIRAHUHFZEL-APWZRJJASA-N 2 1 288.479 3.657 20 0 CHADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000571514277 328130032 /nfs/dbraw/zinc/13/00/32/328130032.db2.gz JNGFRRIHGSNXPN-QYZOEREBSA-N 2 1 278.399 3.717 20 0 CHADMP Cc1ccc(CC[C@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C)cc1 ZINC000582151480 328303842 /nfs/dbraw/zinc/30/38/42/328303842.db2.gz AFBRYMVWTSJQBC-DLBZAZTESA-N 2 1 276.468 3.634 20 0 CHADMP Cc1ccc(CC[C@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000582151480 328303843 /nfs/dbraw/zinc/30/38/43/328303843.db2.gz AFBRYMVWTSJQBC-DLBZAZTESA-N 2 1 276.468 3.634 20 0 CHADMP CC(C)=CC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000531909974 328308313 /nfs/dbraw/zinc/30/83/13/328308313.db2.gz AZENWYDJJNFGGV-QGZVFWFLSA-N 2 1 278.484 3.929 20 0 CHADMP CC[C@@H]1CCC[C@H]1[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000531947166 328328483 /nfs/dbraw/zinc/32/84/83/328328483.db2.gz JNIFJAAFNGXSPP-BRWVUGGUSA-N 2 1 266.473 3.809 20 0 CHADMP CC[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000531947165 328328544 /nfs/dbraw/zinc/32/85/44/328328544.db2.gz JNIFJAAFNGXSPP-BBWFWOEESA-N 2 1 266.473 3.809 20 0 CHADMP CCCC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000049543588 328370708 /nfs/dbraw/zinc/37/07/08/328370708.db2.gz DJYYQHQSKDRCPY-QLQQRZLESA-N 2 1 264.457 3.560 20 0 CHADMP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000049554377 328371532 /nfs/dbraw/zinc/37/15/32/328371532.db2.gz BYKQRCWEAHMCID-VXGBXAGGSA-N 2 1 297.512 3.740 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3ccc(Cl)cc32)C1 ZINC000534973199 328372202 /nfs/dbraw/zinc/37/22/02/328372202.db2.gz BZPBISDWAUXOKP-DYVFJYSZSA-N 2 1 292.854 3.649 20 0 CHADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261585675 327004302 /nfs/dbraw/zinc/00/43/02/327004302.db2.gz INVMJKAUTSMPEA-CKRXIKOQSA-N 2 1 299.245 3.724 20 0 CHADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261585675 327004303 /nfs/dbraw/zinc/00/43/03/327004303.db2.gz INVMJKAUTSMPEA-CKRXIKOQSA-N 2 1 299.245 3.724 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2CCCC23CCCCC3)CC1 ZINC000313002711 327022894 /nfs/dbraw/zinc/02/28/94/327022894.db2.gz ZWVCDUIOBJPJID-INIZCTEOSA-N 2 1 264.457 3.563 20 0 CHADMP C[C@@H](C[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000584129319 327047407 /nfs/dbraw/zinc/04/74/07/327047407.db2.gz WVOZJDOJBJWUKG-IKGGRYGDSA-N 2 1 274.452 3.500 20 0 CHADMP C[C@@H](C[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000584129319 327047408 /nfs/dbraw/zinc/04/74/08/327047408.db2.gz WVOZJDOJBJWUKG-IKGGRYGDSA-N 2 1 274.452 3.500 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000558226559 327079384 /nfs/dbraw/zinc/07/93/84/327079384.db2.gz POXNLOQXKSBCEZ-IXDOHACOSA-N 2 1 280.500 3.913 20 0 CHADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000558251134 327081582 /nfs/dbraw/zinc/08/15/82/327081582.db2.gz LDGQHPYXSHBPIJ-OWYHZJEWSA-N 2 1 286.463 3.675 20 0 CHADMP CC[C@@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccccc1 ZINC000558417766 327092869 /nfs/dbraw/zinc/09/28/69/327092869.db2.gz IASVLWIQCGAJOW-UBLGTCEWSA-N 2 1 286.463 3.737 20 0 CHADMP CC[C@@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000558417766 327092870 /nfs/dbraw/zinc/09/28/70/327092870.db2.gz IASVLWIQCGAJOW-UBLGTCEWSA-N 2 1 286.463 3.737 20 0 CHADMP CC[C@@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000558417766 327092871 /nfs/dbraw/zinc/09/28/71/327092871.db2.gz IASVLWIQCGAJOW-UBLGTCEWSA-N 2 1 286.463 3.737 20 0 CHADMP c1ccc([C@H]2CCCC[N@@H+]2CCC[NH+]2CCCC2)cc1 ZINC000558609819 327109344 /nfs/dbraw/zinc/10/93/44/327109344.db2.gz IFSDBUSDQPEAJL-GOSISDBHSA-N 2 1 272.436 3.700 20 0 CHADMP Cc1ccncc1CCC[N@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000569410337 327173904 /nfs/dbraw/zinc/17/39/04/327173904.db2.gz TUYQAGJTGCULMW-HOCLYGCPSA-N 2 1 260.425 3.833 20 0 CHADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000569566666 327198876 /nfs/dbraw/zinc/19/88/76/327198876.db2.gz LNFMLFZKSBKIKF-CQSZACIVSA-N 2 1 298.883 3.855 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000584261430 327203598 /nfs/dbraw/zinc/20/35/98/327203598.db2.gz CGTBKGUIXZLGNS-MXWWQKGMSA-N 2 1 292.442 3.782 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000584261430 327203599 /nfs/dbraw/zinc/20/35/99/327203599.db2.gz CGTBKGUIXZLGNS-MXWWQKGMSA-N 2 1 292.442 3.782 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000536475932 327240691 /nfs/dbraw/zinc/24/06/91/327240691.db2.gz KARPNTQRVKJRBS-UHFFFAOYSA-N 2 1 299.462 3.800 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000536475932 327240692 /nfs/dbraw/zinc/24/06/92/327240692.db2.gz KARPNTQRVKJRBS-UHFFFAOYSA-N 2 1 299.462 3.800 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCCCC1 ZINC000149941117 327254934 /nfs/dbraw/zinc/25/49/34/327254934.db2.gz OTNYNWSSOZXDTJ-HZTRTUMWSA-N 2 1 264.457 3.560 20 0 CHADMP CCC(CC)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000559721715 327258523 /nfs/dbraw/zinc/25/85/23/327258523.db2.gz HPXNUSWQZOWCKN-SJORKVTESA-N 2 1 260.425 3.600 20 0 CHADMP CCC(CC)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000559721715 327258524 /nfs/dbraw/zinc/25/85/24/327258524.db2.gz HPXNUSWQZOWCKN-SJORKVTESA-N 2 1 260.425 3.600 20 0 CHADMP CCC[C@H](CC)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000559787448 327262092 /nfs/dbraw/zinc/26/20/92/327262092.db2.gz PIKDYXTUXSCNDH-KSZLIROESA-N 2 1 274.452 3.990 20 0 CHADMP CCC[C@H](CC)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000559787448 327262093 /nfs/dbraw/zinc/26/20/93/327262093.db2.gz PIKDYXTUXSCNDH-KSZLIROESA-N 2 1 274.452 3.990 20 0 CHADMP C[C@@H](c1ccccc1Cl)N(C)CC[C@H]1CCC[N@H+]1C ZINC000559841758 327264985 /nfs/dbraw/zinc/26/49/85/327264985.db2.gz DWTLXRXMIGMHLR-UONOGXRCSA-N 2 1 280.843 3.817 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCC[C@H]2F)cc1 ZINC000559920366 327271925 /nfs/dbraw/zinc/27/19/25/327271925.db2.gz WCQAATRQDXQJIS-JLZZUVOBSA-N 2 1 287.382 3.722 20 0 CHADMP CCC1CC([NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000560245794 327293264 /nfs/dbraw/zinc/29/32/64/327293264.db2.gz JBTHIDLWMTZUDG-KLHKWILBSA-N 2 1 274.452 3.675 20 0 CHADMP C[N@H+](Cc1cnc(C2CCCCC2)s1)CC(C)(C)C[NH3+] ZINC000564974823 327299927 /nfs/dbraw/zinc/29/99/27/327299927.db2.gz VYLDRDJQNWZQRI-UHFFFAOYSA-N 2 1 295.496 3.608 20 0 CHADMP C[N@@H+](Cc1cnc(C2CCCCC2)s1)CC(C)(C)C[NH3+] ZINC000564974823 327299928 /nfs/dbraw/zinc/29/99/28/327299928.db2.gz VYLDRDJQNWZQRI-UHFFFAOYSA-N 2 1 295.496 3.608 20 0 CHADMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000560550146 327323694 /nfs/dbraw/zinc/32/36/94/327323694.db2.gz VAXHAPCYSUGSNW-FZCLSBEQSA-N 2 1 278.484 3.664 20 0 CHADMP CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261617660 327359561 /nfs/dbraw/zinc/35/95/61/327359561.db2.gz UFYLVRFYPWAYJS-RHSMWYFYSA-N 2 1 260.425 3.542 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261574354 327389074 /nfs/dbraw/zinc/38/90/74/327389074.db2.gz XGHOSXJYIYUGHY-RDBSUJKOSA-N 2 1 280.843 3.721 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261574350 327389094 /nfs/dbraw/zinc/38/90/94/327389094.db2.gz XGHOSXJYIYUGHY-MCIONIFRSA-N 2 1 280.843 3.721 20 0 CHADMP CC(C)CCC1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000582189478 328622072 /nfs/dbraw/zinc/62/20/72/328622072.db2.gz RBWSICFKZHTLDT-UHFFFAOYSA-N 2 1 277.456 3.501 20 0 CHADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000043389686 328789193 /nfs/dbraw/zinc/78/91/93/328789193.db2.gz KLPBHFQVMZIXMX-UHFFFAOYSA-N 2 1 298.833 3.833 20 0 CHADMP CC1=CCC[C@H](C)[C@H]1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377621153 329020940 /nfs/dbraw/zinc/02/09/40/329020940.db2.gz GPIRWPRBUFGQQL-AQDBYXPISA-N 2 1 276.468 3.536 20 0 CHADMP CC1=CCC[C@H](C)[C@H]1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377621153 329020941 /nfs/dbraw/zinc/02/09/41/329020941.db2.gz GPIRWPRBUFGQQL-AQDBYXPISA-N 2 1 276.468 3.536 20 0 CHADMP CC1=CCC[C@H](C)[C@H]1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000377621153 329020942 /nfs/dbraw/zinc/02/09/42/329020942.db2.gz GPIRWPRBUFGQQL-AQDBYXPISA-N 2 1 276.468 3.536 20 0 CHADMP Cc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000193736483 329061395 /nfs/dbraw/zinc/06/13/95/329061395.db2.gz WLMYGAJHOJXLRU-MQVJKMGUSA-N 2 1 292.854 3.753 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CC=CCC3)CC23CC3)cc1 ZINC000582486748 329096672 /nfs/dbraw/zinc/09/66/72/329096672.db2.gz QXPUNPPRLIOAOS-MOPGFXCFSA-N 2 1 296.458 3.882 20 0 CHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CC=CCC3)CC23CC3)cc1 ZINC000582486748 329096674 /nfs/dbraw/zinc/09/66/74/329096674.db2.gz QXPUNPPRLIOAOS-MOPGFXCFSA-N 2 1 296.458 3.882 20 0 CHADMP C[C@H]([NH2+]CCCC1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000394547921 329125876 /nfs/dbraw/zinc/12/58/76/329125876.db2.gz FSIQHMZCYPKYCD-QFBILLFUSA-N 2 1 286.463 3.677 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)sc2C)[C@H](C)C1 ZINC000175732409 329171279 /nfs/dbraw/zinc/17/12/79/329171279.db2.gz VQBFBERTHGVGFJ-WBMJQRKESA-N 2 1 280.481 3.527 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)sc2C)[C@H](C)C1 ZINC000175732409 329171281 /nfs/dbraw/zinc/17/12/81/329171281.db2.gz VQBFBERTHGVGFJ-WBMJQRKESA-N 2 1 280.481 3.527 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)sc2C)[C@H](C)C1 ZINC000175732409 329171283 /nfs/dbraw/zinc/17/12/83/329171283.db2.gz VQBFBERTHGVGFJ-WBMJQRKESA-N 2 1 280.481 3.527 20 0 CHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)C2CC2)CC1 ZINC000177345675 329186324 /nfs/dbraw/zinc/18/63/24/329186324.db2.gz QASZJJDVFWOXDI-LSDHHAIUSA-N 2 1 272.436 3.600 20 0 CHADMP CC(C)C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccn1 ZINC000178409292 329199735 /nfs/dbraw/zinc/19/97/35/329199735.db2.gz YVHZDECWKRWNFL-GOSISDBHSA-N 2 1 289.467 3.634 20 0 CHADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000178412337 329199740 /nfs/dbraw/zinc/19/97/40/329199740.db2.gz PQULVGNSVFSAGX-ZDUSSCGKSA-N 2 1 295.496 3.711 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C1CCC1 ZINC000178793605 329200679 /nfs/dbraw/zinc/20/06/79/329200679.db2.gz LWONBRDRMWTBEG-QRTARXTBSA-N 2 1 292.492 3.909 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CCC1 ZINC000178793605 329200680 /nfs/dbraw/zinc/20/06/80/329200680.db2.gz LWONBRDRMWTBEG-QRTARXTBSA-N 2 1 292.492 3.909 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)C2CCC2)cc1F ZINC000178625139 329201537 /nfs/dbraw/zinc/20/15/37/329201537.db2.gz XYVYHFRYUGAJQI-LBPRGKRZSA-N 2 1 287.382 3.598 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000178698079 329202411 /nfs/dbraw/zinc/20/24/11/329202411.db2.gz DTZLSKSFWGUWQJ-WDEREUQCSA-N 2 1 297.855 3.893 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000178699871 329202519 /nfs/dbraw/zinc/20/25/19/329202519.db2.gz NNHVCJCTIWYAEZ-XJKSGUPXSA-N 2 1 285.435 3.795 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCCc1ccccc1 ZINC000179278094 329206856 /nfs/dbraw/zinc/20/68/56/329206856.db2.gz UWNPUNOIRURQLB-UHFFFAOYSA-N 2 1 285.435 3.536 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)CCCc1ccccc1 ZINC000179278094 329206857 /nfs/dbraw/zinc/20/68/57/329206857.db2.gz UWNPUNOIRURQLB-UHFFFAOYSA-N 2 1 285.435 3.536 20 0 CHADMP CCC[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccccn1 ZINC000183952884 329255237 /nfs/dbraw/zinc/25/52/37/329255237.db2.gz SGROWWQHACOLDX-INIZCTEOSA-N 2 1 289.467 3.634 20 0 CHADMP CC[NH2+]CCC[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000582898941 329282869 /nfs/dbraw/zinc/28/28/69/329282869.db2.gz DNHNSKTYGFXTNV-GOSISDBHSA-N 2 1 286.394 3.504 20 0 CHADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000582992023 329294447 /nfs/dbraw/zinc/29/44/47/329294447.db2.gz OVKIZJAFWZZYHR-MKQDKFQKSA-N 2 1 296.405 3.531 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1sc(C(C)C)nc1C ZINC000131405226 329635832 /nfs/dbraw/zinc/63/58/32/329635832.db2.gz ICYJKGTVWSGOHJ-CYBMUJFWSA-N 2 1 297.512 3.957 20 0 CHADMP CC(C)[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379637996 330144309 /nfs/dbraw/zinc/14/43/09/330144309.db2.gz ZFSNABOBKSLTQK-ZIFCJYIRSA-N 2 1 288.479 3.921 20 0 CHADMP CC(C)[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379637996 330144310 /nfs/dbraw/zinc/14/43/10/330144310.db2.gz ZFSNABOBKSLTQK-ZIFCJYIRSA-N 2 1 288.479 3.921 20 0 CHADMP CC(C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379643615 330144807 /nfs/dbraw/zinc/14/48/07/330144807.db2.gz BKVTWCWGPSPPNY-FUHWJXTLSA-N 2 1 274.452 3.675 20 0 CHADMP CC(C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379643615 330144808 /nfs/dbraw/zinc/14/48/08/330144808.db2.gz BKVTWCWGPSPPNY-FUHWJXTLSA-N 2 1 274.452 3.675 20 0 CHADMP CC(C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379643613 330144877 /nfs/dbraw/zinc/14/48/77/330144877.db2.gz BKVTWCWGPSPPNY-AEFFLSMTSA-N 2 1 274.452 3.675 20 0 CHADMP CC(C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379643613 330144879 /nfs/dbraw/zinc/14/48/79/330144879.db2.gz BKVTWCWGPSPPNY-AEFFLSMTSA-N 2 1 274.452 3.675 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000379640481 330145987 /nfs/dbraw/zinc/14/59/87/330145987.db2.gz WSOFGZKALYHXLY-BPQIPLTHSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000379640481 330145988 /nfs/dbraw/zinc/14/59/88/330145988.db2.gz WSOFGZKALYHXLY-BPQIPLTHSA-N 2 1 286.463 3.818 20 0 CHADMP CC(C)CC[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422733889 330152813 /nfs/dbraw/zinc/15/28/13/330152813.db2.gz RWMAGQFZZDDWQZ-SZMVWBNQSA-N 2 1 274.452 3.894 20 0 CHADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3F)c2ccccc21 ZINC000422764826 330153854 /nfs/dbraw/zinc/15/38/54/330153854.db2.gz ONWHCKLXATXCDK-SQNIBIBYSA-N 2 1 282.362 3.547 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cccs1 ZINC000422766238 330153868 /nfs/dbraw/zinc/15/38/68/330153868.db2.gz RBCPHVJAWONDDL-IMJJTQAJSA-N 2 1 286.444 3.892 20 0 CHADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3F)c2ccccc21 ZINC000422764823 330154044 /nfs/dbraw/zinc/15/40/44/330154044.db2.gz ONWHCKLXATXCDK-KURKYZTESA-N 2 1 282.362 3.547 20 0 CHADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](c2cccs2)C2CC2)c2ccccc21 ZINC000422792360 330155208 /nfs/dbraw/zinc/15/52/08/330155208.db2.gz DNIFLVOWYKRDAV-INMHGKMJSA-N 2 1 284.428 3.934 20 0 CHADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](c2cccs2)C2CC2)c2ccccc21 ZINC000422792358 330155304 /nfs/dbraw/zinc/15/53/04/330155304.db2.gz DNIFLVOWYKRDAV-BFYDXBDKSA-N 2 1 284.428 3.934 20 0 CHADMP C[C@H]([NH2+]CCCCC1CCCC1)c1c[nH+]ccc1N ZINC000422798864 330155627 /nfs/dbraw/zinc/15/56/27/330155627.db2.gz TWMQJFKDQYCHID-ZDUSSCGKSA-N 2 1 261.413 3.505 20 0 CHADMP CC(C)[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)c1ccccc1 ZINC000422804182 330155886 /nfs/dbraw/zinc/15/58/86/330155886.db2.gz DUFMAJANQLGKGE-ZBFHGGJFSA-N 2 1 283.419 3.585 20 0 CHADMP CC1(C)CCC[C@@H]1[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422841534 330157197 /nfs/dbraw/zinc/15/71/97/330157197.db2.gz WINWWXOVOKRJNC-BBWFWOEESA-N 2 1 272.436 3.648 20 0 CHADMP CCC(CC)C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422859133 330157880 /nfs/dbraw/zinc/15/78/80/330157880.db2.gz JLLMOUNUNDLIJY-IAGOWNOFSA-N 2 1 260.425 3.506 20 0 CHADMP CC(C)(C)CC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422937986 330161321 /nfs/dbraw/zinc/16/13/21/330161321.db2.gz KIBTYNAEQBIGCI-HOTGVXAUSA-N 2 1 260.425 3.506 20 0 CHADMP c1ccc([C@@H]2C[C@H]([NH2+]C3(c4ccccc4)CC3)CC[NH2+]2)cc1 ZINC000422943304 330161595 /nfs/dbraw/zinc/16/15/95/330161595.db2.gz XXAJKRKFVMJMQT-MOPGFXCFSA-N 2 1 292.426 3.759 20 0 CHADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCC3=CCCCC3)CC[NH2+]2)cc1 ZINC000422963238 330164435 /nfs/dbraw/zinc/16/44/35/330164435.db2.gz IAGRXHZYCMHCGP-OALUTQOASA-N 2 1 284.447 3.960 20 0 CHADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(Cl)s1 ZINC000423536241 330210697 /nfs/dbraw/zinc/21/06/97/330210697.db2.gz ZCJCVCXFHVYDQD-ONGXEEELSA-N 2 1 272.845 3.570 20 0 CHADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000423024753 330165928 /nfs/dbraw/zinc/16/59/28/330165928.db2.gz MMMSKLGUANBFTN-CWSCBRNRSA-N 2 1 292.320 3.535 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cc2ccccc2s1 ZINC000423053235 330167452 /nfs/dbraw/zinc/16/74/52/330167452.db2.gz ABQBREFRPJTIKG-SCRDCRAPSA-N 2 1 274.433 3.692 20 0 CHADMP Cc1oc2ccccc2c1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423053498 330167458 /nfs/dbraw/zinc/16/74/58/330167458.db2.gz SQECHCWDUJQROF-QZTJIDSGSA-N 2 1 292.382 3.976 20 0 CHADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3CCC34CCCC4)CC[NH2+]2)cc1 ZINC000423068859 330168318 /nfs/dbraw/zinc/16/83/18/330168318.db2.gz ABSBMFSFEOHKFT-OKZBNKHCSA-N 2 1 284.447 3.792 20 0 CHADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)c2ccccc21 ZINC000423077724 330168588 /nfs/dbraw/zinc/16/85/88/330168588.db2.gz MWRYPFFFFFUMRQ-RBUKOAKNSA-N 2 1 278.399 3.798 20 0 CHADMP FC1(F)CC[C@H](C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000423100298 330170231 /nfs/dbraw/zinc/17/02/31/330170231.db2.gz VCOZGWHFSZYKOY-BPUTZDHNSA-N 2 1 294.389 3.505 20 0 CHADMP CSCc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000423113464 330170794 /nfs/dbraw/zinc/17/07/94/330170794.db2.gz UGGRUSBSMFDFGN-QZTJIDSGSA-N 2 1 298.455 3.784 20 0 CHADMP C[C@@H](CCCC[NH3+])[NH2+]CC(F)(F)c1ccc(Cl)cc1 ZINC000423114307 330170867 /nfs/dbraw/zinc/17/08/67/330170867.db2.gz VDSBEESNEVTQNB-NSHDSACASA-N 2 1 290.785 3.539 20 0 CHADMP C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2Cl)C1)[C@H]1CCCC[NH2+]1 ZINC000423143214 330172449 /nfs/dbraw/zinc/17/24/49/330172449.db2.gz CPGZQBLFWVGRAD-AYMQEEERSA-N 2 1 292.854 3.706 20 0 CHADMP CC[C@H]([NH2+]CC1([NH3+])CCCCC1)c1cccc(F)c1 ZINC000423176301 330174755 /nfs/dbraw/zinc/17/47/55/330174755.db2.gz GNDOWQRQLGRIIX-HNNXBMFYSA-N 2 1 264.388 3.528 20 0 CHADMP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423193962 330175880 /nfs/dbraw/zinc/17/58/80/330175880.db2.gz REGPZJDRQAWFDE-GJZGRUSLSA-N 2 1 299.462 3.566 20 0 CHADMP [NH3+]CC[NH2+][C@@H](CCc1ccccc1Cl)c1ccccc1 ZINC000423193008 330175985 /nfs/dbraw/zinc/17/59/85/330175985.db2.gz WDWRBBWQEZAQRW-KRWDZBQOSA-N 2 1 288.822 3.562 20 0 CHADMP Fc1ccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423205205 330176969 /nfs/dbraw/zinc/17/69/69/330176969.db2.gz DWNIGMFHYRMANZ-BEFAXECRSA-N 2 1 298.405 3.504 20 0 CHADMP CCC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1ccsc1 ZINC000423262695 330183726 /nfs/dbraw/zinc/18/37/26/330183726.db2.gz NDZQRLVWPRSLTM-KGLIPLIRSA-N 2 1 254.443 3.552 20 0 CHADMP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1Cl ZINC000423264506 330184185 /nfs/dbraw/zinc/18/41/85/330184185.db2.gz CCTDPDUVLUXFLA-DOMZBBRYSA-N 2 1 298.858 3.761 20 0 CHADMP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423277469 330185006 /nfs/dbraw/zinc/18/50/06/330185006.db2.gz OEMKGPNPPYFETP-DZGCQCFKSA-N 2 1 298.883 3.538 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccccc1SC ZINC000423292632 330187796 /nfs/dbraw/zinc/18/77/96/330187796.db2.gz NPCKVQWCBQDDFM-LBPRGKRZSA-N 2 1 266.454 3.577 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(SC)c(OC)c1 ZINC000423294446 330187952 /nfs/dbraw/zinc/18/79/52/330187952.db2.gz BYXKYPLMIKZVLV-GXTWGEPZSA-N 2 1 296.480 3.585 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc(C)sc1C ZINC000423297301 330188557 /nfs/dbraw/zinc/18/85/57/330188557.db2.gz JRNKBWIRJWWRDE-AAEUAGOBSA-N 2 1 254.443 3.533 20 0 CHADMP C[C@@H](C[NH3+])C[NH2+][C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000423297183 330188705 /nfs/dbraw/zinc/18/87/05/330188705.db2.gz JBVFXQFOSKSHPW-CBAPKCEASA-N 2 1 293.263 3.617 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000423304321 330188992 /nfs/dbraw/zinc/18/89/92/330188992.db2.gz YJDDSLGMFAZAKU-GUYCJALGSA-N 2 1 285.435 3.652 20 0 CHADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(-c2ccccc2)s1 ZINC000423314445 330189702 /nfs/dbraw/zinc/18/97/02/330189702.db2.gz HGTWBMVXYHFZMS-SWLSCSKDSA-N 2 1 286.444 3.803 20 0 CHADMP CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423317883 330189997 /nfs/dbraw/zinc/18/99/97/330189997.db2.gz KUCZZZNYBGTMSB-WBMJQRKESA-N 2 1 278.465 3.575 20 0 CHADMP CCC[C@@H]([NH2+][C@H](C)C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000423322039 330190354 /nfs/dbraw/zinc/19/03/54/330190354.db2.gz IJYXPORFRMECQF-NOZJJQNGSA-N 2 1 275.223 3.771 20 0 CHADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(-c2ccccc2)o1 ZINC000423324818 330190638 /nfs/dbraw/zinc/19/06/38/330190638.db2.gz JAFFCXNFNWFDCX-HNAYVOBHSA-N 2 1 298.430 3.987 20 0 CHADMP Clc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)CCS2 ZINC000423353679 330193073 /nfs/dbraw/zinc/19/30/73/330193073.db2.gz BYHDZFMEPPPWSN-OCCSQVGLSA-N 2 1 296.867 3.609 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1Cl ZINC000423352652 330193103 /nfs/dbraw/zinc/19/31/03/330193103.db2.gz ADMKGHFNUVQJEZ-CMPLNLGQSA-N 2 1 287.234 3.786 20 0 CHADMP Clc1cccc2c1SCC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423355106 330193117 /nfs/dbraw/zinc/19/31/17/330193117.db2.gz DVVAUNPXEKWGPV-BXUZGUMPSA-N 2 1 296.867 3.609 20 0 CHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423355733 330193433 /nfs/dbraw/zinc/19/34/33/330193433.db2.gz GABGMNPYYFPROK-UONOGXRCSA-N 2 1 272.392 3.534 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)c2ccccc2)cc1 ZINC000423362253 330194108 /nfs/dbraw/zinc/19/41/08/330194108.db2.gz BBIYIVHXJWTPKC-LSTHTHJFSA-N 2 1 294.442 3.672 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C)c2ccccc2)cc1 ZINC000423362247 330194121 /nfs/dbraw/zinc/19/41/21/330194121.db2.gz BBIYIVHXJWTPKC-FFZOFVMBSA-N 2 1 294.442 3.672 20 0 CHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423402521 330196243 /nfs/dbraw/zinc/19/62/43/330196243.db2.gz XVSZTESZXWFEQG-XBFCOCLRSA-N 2 1 272.392 3.532 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@H]2CC[NH2+][C@@H](C)C2)c2ccccc2)cc1 ZINC000423384142 330199517 /nfs/dbraw/zinc/19/95/17/330199517.db2.gz QCLFBFXBESEAIJ-FFZOFVMBSA-N 2 1 294.442 3.815 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@H]2CC[NH2+][C@H](C)C2)c2ccccc2)cc1 ZINC000423384143 330199722 /nfs/dbraw/zinc/19/97/22/330199722.db2.gz QCLFBFXBESEAIJ-LSTHTHJFSA-N 2 1 294.442 3.815 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cc2cc(Cl)ccc2o1 ZINC000423391311 330200195 /nfs/dbraw/zinc/20/01/95/330200195.db2.gz KTTXSDGJVUHMIG-MJVIPROJSA-N 2 1 292.810 3.735 20 0 CHADMP Cc1nc(-c2cc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cs2)cs1 ZINC000423448897 330202650 /nfs/dbraw/zinc/20/26/50/330202650.db2.gz QSWSDXHMLQOPTA-AEJSXWLSSA-N 2 1 295.477 3.566 20 0 CHADMP CCC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423451874 330202983 /nfs/dbraw/zinc/20/29/83/330202983.db2.gz VQBVNQTYWMPJNL-GYSYKLTISA-N 2 1 288.357 3.872 20 0 CHADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000423453742 330203207 /nfs/dbraw/zinc/20/32/07/330203207.db2.gz YAFXFTZFAFKZIM-OAGGEKHMSA-N 2 1 298.430 3.652 20 0 CHADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000423461086 330204054 /nfs/dbraw/zinc/20/40/54/330204054.db2.gz JHQSEJHIKBIDFD-SMDDNHRTSA-N 2 1 289.448 3.506 20 0 CHADMP CSc1ccccc1[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423500167 330208025 /nfs/dbraw/zinc/20/80/25/330208025.db2.gz KDXLAPGTKISQHC-WFASDCNBSA-N 2 1 278.465 3.577 20 0 CHADMP CSc1ccccc1[C@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423500165 330208163 /nfs/dbraw/zinc/20/81/63/330208163.db2.gz KDXLAPGTKISQHC-SWLSCSKDSA-N 2 1 278.465 3.577 20 0 CHADMP CCC[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccsc1 ZINC000423498288 330208239 /nfs/dbraw/zinc/20/82/39/330208239.db2.gz HWZABWBJFCNHJE-GJZGRUSLSA-N 2 1 266.454 3.696 20 0 CHADMP Cc1cc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)c(C)s1 ZINC000423532388 330210316 /nfs/dbraw/zinc/21/03/16/330210316.db2.gz QZWCLXSCXXBHGA-XHDPSFHLSA-N 2 1 266.454 3.533 20 0 CHADMP CSc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1F ZINC000423532696 330210487 /nfs/dbraw/zinc/21/04/87/330210487.db2.gz RNBAULLKLGLRLO-ABAIWWIYSA-N 2 1 296.455 3.716 20 0 CHADMP CCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)s1 ZINC000538717829 330229680 /nfs/dbraw/zinc/22/96/80/330229680.db2.gz BVCZSAFLFXPLMV-ZIAGYGMSSA-N 2 1 280.481 3.615 20 0 CHADMP CCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)s1 ZINC000538717829 330229682 /nfs/dbraw/zinc/22/96/82/330229682.db2.gz BVCZSAFLFXPLMV-ZIAGYGMSSA-N 2 1 280.481 3.615 20 0 CHADMP CCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)s1 ZINC000538717829 330229684 /nfs/dbraw/zinc/22/96/84/330229684.db2.gz BVCZSAFLFXPLMV-ZIAGYGMSSA-N 2 1 280.481 3.615 20 0 CHADMP CCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)s1 ZINC000538717829 330229685 /nfs/dbraw/zinc/22/96/85/330229685.db2.gz BVCZSAFLFXPLMV-ZIAGYGMSSA-N 2 1 280.481 3.615 20 0 CHADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccccc2F)C1 ZINC000536840155 330235543 /nfs/dbraw/zinc/23/55/43/330235543.db2.gz RMHFJZYMGFTWNO-CVEARBPZSA-N 2 1 292.442 3.844 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccccc2F)C1 ZINC000536840155 330235544 /nfs/dbraw/zinc/23/55/44/330235544.db2.gz RMHFJZYMGFTWNO-CVEARBPZSA-N 2 1 292.442 3.844 20 0 CHADMP Cc1cccc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C(C)C)c1 ZINC000527861676 330285080 /nfs/dbraw/zinc/28/50/80/330285080.db2.gz MTCMYRQQJOYDFG-WMZOPIPTSA-N 2 1 274.452 3.624 20 0 CHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)[C@H]2CC23CC3)CC1 ZINC000527865725 330285543 /nfs/dbraw/zinc/28/55/43/330285543.db2.gz ODRPIXBZTZZCEY-FRQCXROJSA-N 2 1 298.474 3.990 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC12CC2 ZINC000527869704 330285923 /nfs/dbraw/zinc/28/59/23/330285923.db2.gz WDNCHSNUHKPADW-RWQQGDIJSA-N 2 1 298.474 3.675 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC12CC2 ZINC000527869704 330285924 /nfs/dbraw/zinc/28/59/24/330285924.db2.gz WDNCHSNUHKPADW-RWQQGDIJSA-N 2 1 298.474 3.675 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)[C@H]2CC23CC3)CC1 ZINC000527847667 330287946 /nfs/dbraw/zinc/28/79/46/330287946.db2.gz HFDHHGUIGBKPGH-VQIMIIECSA-N 2 1 298.474 3.738 20 0 CHADMP C[C@H](Nc1[nH+]ccc2ccccc21)C(C)(C)C[NH+](C)C ZINC000527903599 330289643 /nfs/dbraw/zinc/28/96/43/330289643.db2.gz IVMBEUMOFYGHSW-ZDUSSCGKSA-N 2 1 271.408 3.623 20 0 CHADMP CCCCC1CCC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000536876069 330311477 /nfs/dbraw/zinc/31/14/77/330311477.db2.gz JUDQSKWWJFLVMI-OTBWCIGPSA-N 2 1 266.473 3.808 20 0 CHADMP CCCCC1CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000536876069 330311478 /nfs/dbraw/zinc/31/14/78/330311478.db2.gz JUDQSKWWJFLVMI-OTBWCIGPSA-N 2 1 266.473 3.808 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc2ccccc2c1 ZINC000044535107 330329917 /nfs/dbraw/zinc/32/99/17/330329917.db2.gz GVFPGJWSLLOYAZ-CVEARBPZSA-N 2 1 282.431 3.832 20 0 CHADMP C([NH2+][C@H](C1CCC1)C1CCCCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000424272734 330333254 /nfs/dbraw/zinc/33/32/54/330333254.db2.gz UXSKAJVEQSSZGP-BEFAXECRSA-N 2 1 290.495 3.809 20 0 CHADMP Cc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1Cl ZINC000424384828 330349540 /nfs/dbraw/zinc/34/95/40/330349540.db2.gz VTVJEBVXKVAUOI-AWEZNQCLSA-N 2 1 292.854 3.612 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](C)c2ccccc2)CC1 ZINC000116879256 330361149 /nfs/dbraw/zinc/36/11/49/330361149.db2.gz KOPRIUWFAMOEDI-MRXNPFEDSA-N 2 1 274.452 3.596 20 0 CHADMP CC(C)CC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119661454 330378288 /nfs/dbraw/zinc/37/82/88/330378288.db2.gz LNQODGBCOQPARQ-CRAIPNDOSA-N 2 1 278.484 3.808 20 0 CHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C2CCCC2)C1 ZINC000120096478 330384368 /nfs/dbraw/zinc/38/43/68/330384368.db2.gz VVGVLJFAHWKENS-HOTGVXAUSA-N 2 1 264.457 3.515 20 0 CHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000120096478 330384369 /nfs/dbraw/zinc/38/43/69/330384369.db2.gz VVGVLJFAHWKENS-HOTGVXAUSA-N 2 1 264.457 3.515 20 0 CHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000120096478 330384370 /nfs/dbraw/zinc/38/43/70/330384370.db2.gz VVGVLJFAHWKENS-HOTGVXAUSA-N 2 1 264.457 3.515 20 0 CHADMP CC[N@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCCC[C@@H]1C ZINC000120087385 330385420 /nfs/dbraw/zinc/38/54/20/330385420.db2.gz SBASQQAVRUYWGT-DOTOQJQBSA-N 2 1 277.456 3.872 20 0 CHADMP CC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCCC[C@@H]1C ZINC000120087385 330385421 /nfs/dbraw/zinc/38/54/21/330385421.db2.gz SBASQQAVRUYWGT-DOTOQJQBSA-N 2 1 277.456 3.872 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CCCCn1ccnc1C ZINC000120780435 330391361 /nfs/dbraw/zinc/39/13/61/330391361.db2.gz DZZVGQCRIKNCSP-SJORKVTESA-N 2 1 277.456 3.872 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1[N@H+](C)CCCCn1cc[nH+]c1C ZINC000120780435 330391362 /nfs/dbraw/zinc/39/13/62/330391362.db2.gz DZZVGQCRIKNCSP-SJORKVTESA-N 2 1 277.456 3.872 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000120780435 330391363 /nfs/dbraw/zinc/39/13/63/330391363.db2.gz DZZVGQCRIKNCSP-SJORKVTESA-N 2 1 277.456 3.872 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2C=CCCC2)cc1 ZINC000090393040 330392266 /nfs/dbraw/zinc/39/22/66/330392266.db2.gz UWLFQCGTNSJYKB-YOEHRIQHSA-N 2 1 281.403 3.940 20 0 CHADMP CC[NH+](CC)[C@H](C[NH2+]C[C@@H]1CC=CCC1)CC(C)C ZINC000515083637 330470395 /nfs/dbraw/zinc/47/03/95/330470395.db2.gz COFCKFXEWIBEEI-SJORKVTESA-N 2 1 266.473 3.689 20 0 CHADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H](C)CCC(F)(F)F ZINC000449383967 330921246 /nfs/dbraw/zinc/92/12/46/330921246.db2.gz LEQCGRLLMRHDDQ-KBPBESRZSA-N 2 1 294.405 3.818 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000451178885 331018943 /nfs/dbraw/zinc/01/89/43/331018943.db2.gz BHEQNWQPYGTBEW-JFRXWTBNSA-N 2 1 286.463 3.737 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000451178885 331018944 /nfs/dbraw/zinc/01/89/44/331018944.db2.gz BHEQNWQPYGTBEW-JFRXWTBNSA-N 2 1 286.463 3.737 20 0 CHADMP CCC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)C(C)(C)C ZINC000451439025 331029687 /nfs/dbraw/zinc/02/96/87/331029687.db2.gz NRDQUIPRWYDRAW-OAHLLOKOSA-N 2 1 265.445 3.776 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000452062169 331052622 /nfs/dbraw/zinc/05/26/22/331052622.db2.gz ROZASGGPHZPRPY-VYDXJSESSA-N 2 1 277.456 3.776 20 0 CHADMP CSc1ccccc1[C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000194830430 331062877 /nfs/dbraw/zinc/06/28/77/331062877.db2.gz UYKSCSYWQZBROV-CYBMUJFWSA-N 2 1 280.481 3.647 20 0 CHADMP CSc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000194847632 331064684 /nfs/dbraw/zinc/06/46/84/331064684.db2.gz DFWPHTCDRIEXMB-KGLIPLIRSA-N 2 1 290.476 3.543 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2sccc21 ZINC000453057394 331085180 /nfs/dbraw/zinc/08/51/80/331085180.db2.gz DXSDWPRBBBIERL-KQTLUZQSSA-N 2 1 290.476 3.903 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cs1 ZINC000453113599 331090367 /nfs/dbraw/zinc/09/03/67/331090367.db2.gz UMMPEFPTURWKJS-GJZGRUSLSA-N 2 1 280.481 3.828 20 0 CHADMP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453393724 331127652 /nfs/dbraw/zinc/12/76/52/331127652.db2.gz FZZWUVNBMZUBOX-UGSOOPFHSA-N 2 1 290.426 3.523 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C2=CCCC2)[C@@H]2CCC[C@@H]21 ZINC000453405952 331129264 /nfs/dbraw/zinc/12/92/64/331129264.db2.gz SWPKFPIRKKVVHF-ULQDDVLXSA-N 2 1 276.468 3.585 20 0 CHADMP CC(C)c1nc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cs1 ZINC000453409523 331129717 /nfs/dbraw/zinc/12/97/17/331129717.db2.gz UNNUCGHPJOVPOE-CYBMUJFWSA-N 2 1 295.496 3.792 20 0 CHADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)C(C)(C)c1ccccc1 ZINC000453416522 331130385 /nfs/dbraw/zinc/13/03/85/331130385.db2.gz XOYJLQZAUAHMAZ-INIZCTEOSA-N 2 1 288.479 3.817 20 0 CHADMP COc1c(C)c[nH+]c(CN(C)Cc2sccc2C)c1C ZINC000195051666 331133805 /nfs/dbraw/zinc/13/38/05/331133805.db2.gz UIVHMUKZHQZXPA-UHFFFAOYSA-N 2 1 290.432 3.709 20 0 CHADMP Cc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000195131986 331138038 /nfs/dbraw/zinc/13/80/38/331138038.db2.gz KWKDOKUJPGJKNM-AEFFLSMTSA-N 2 1 298.430 3.761 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000195131986 331138040 /nfs/dbraw/zinc/13/80/40/331138040.db2.gz KWKDOKUJPGJKNM-AEFFLSMTSA-N 2 1 298.430 3.761 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)CCc2cccc(Cl)c2)CC1 ZINC000459325891 331276236 /nfs/dbraw/zinc/27/62/36/331276236.db2.gz LYHXODOQLKYNGA-UHFFFAOYSA-N 2 1 294.870 3.689 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C3CC3)cc2)C1 ZINC000459384744 331279504 /nfs/dbraw/zinc/27/95/04/331279504.db2.gz YAPUQJLSSROXML-KRWDZBQOSA-N 2 1 286.463 3.728 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000459384744 331279505 /nfs/dbraw/zinc/27/95/05/331279505.db2.gz YAPUQJLSSROXML-KRWDZBQOSA-N 2 1 286.463 3.728 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000459384744 331279506 /nfs/dbraw/zinc/27/95/06/331279506.db2.gz YAPUQJLSSROXML-KRWDZBQOSA-N 2 1 286.463 3.728 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2cccc(Cl)c2)C[C@H]1C ZINC000459385502 331279518 /nfs/dbraw/zinc/27/95/18/331279518.db2.gz YPNDSKUYMQCEET-RHSMWYFYSA-N 2 1 294.870 3.687 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2cccc(Cl)c2)C[C@H]1C ZINC000459385502 331279519 /nfs/dbraw/zinc/27/95/19/331279519.db2.gz YPNDSKUYMQCEET-RHSMWYFYSA-N 2 1 294.870 3.687 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2cccc(Cl)c2)C[C@H]1C ZINC000459385502 331279520 /nfs/dbraw/zinc/27/95/20/331279520.db2.gz YPNDSKUYMQCEET-RHSMWYFYSA-N 2 1 294.870 3.687 20 0 CHADMP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000459418177 331280612 /nfs/dbraw/zinc/28/06/12/331280612.db2.gz FQONOWJDVXALEU-DNVCBOLYSA-N 2 1 286.463 3.652 20 0 CHADMP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000459466668 331283224 /nfs/dbraw/zinc/28/32/24/331283224.db2.gz JWLZZJJNWXNABD-MRXNPFEDSA-N 2 1 298.474 3.797 20 0 CHADMP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000459466668 331283225 /nfs/dbraw/zinc/28/32/25/331283225.db2.gz JWLZZJJNWXNABD-MRXNPFEDSA-N 2 1 298.474 3.797 20 0 CHADMP C[C@@H](CC[NH2+]C1CC[NH+](C2CC2)CC1)CC(C)(C)C ZINC000459505929 331285186 /nfs/dbraw/zinc/28/51/86/331285186.db2.gz JELRLIYYBFODQS-AWEZNQCLSA-N 2 1 266.473 3.665 20 0 CHADMP C[N@@H+](CCCC[NH2+]Cc1ccc(C2CC2)cc1)C1CC1 ZINC000459597677 331289997 /nfs/dbraw/zinc/28/99/97/331289997.db2.gz OVEBJTAZSXJSLC-UHFFFAOYSA-N 2 1 272.436 3.528 20 0 CHADMP CC1(C)[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]1c1ccccc1 ZINC000459683785 331294213 /nfs/dbraw/zinc/29/42/13/331294213.db2.gz CVXGLRFHHWXYKV-OALUTQOASA-N 2 1 298.474 3.643 20 0 CHADMP CC(C)[C@H](C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000459725025 331296052 /nfs/dbraw/zinc/29/60/52/331296052.db2.gz AWWPQLNBNAPTQD-MJGOQNOKSA-N 2 1 288.479 3.748 20 0 CHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc3ccccc3c2)C1 ZINC000459734969 331296817 /nfs/dbraw/zinc/29/68/17/331296817.db2.gz PDUJTXMZOCOANH-INIZCTEOSA-N 2 1 282.431 3.661 20 0 CHADMP CCC[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C1CCCC1 ZINC000459771525 331299772 /nfs/dbraw/zinc/29/97/72/331299772.db2.gz NSGFLMNIGAXDAC-HNNXBMFYSA-N 2 1 295.496 3.653 20 0 CHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000459793174 331301283 /nfs/dbraw/zinc/30/12/83/331301283.db2.gz SYTYUPPNPVIUQX-QRQLOZEOSA-N 2 1 286.463 3.644 20 0 CHADMP CCC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000459800604 331301544 /nfs/dbraw/zinc/30/15/44/331301544.db2.gz ZUMVXXOSWIECOV-WBVHZDCISA-N 2 1 266.473 3.667 20 0 CHADMP CC(C)[C@@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000166088506 331306677 /nfs/dbraw/zinc/30/66/77/331306677.db2.gz GYWXZQZCHBRBHL-IPMKNSEASA-N 2 1 286.463 3.643 20 0 CHADMP CC(C)[C@@H](C[NH2+][C@@H]1CC[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000462679884 331325128 /nfs/dbraw/zinc/32/51/28/331325128.db2.gz IMPPKTPKPXQSHR-GVDBMIGSSA-N 2 1 266.473 3.521 20 0 CHADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCCCC1 ZINC000462749661 331327268 /nfs/dbraw/zinc/32/72/68/331327268.db2.gz ULYLUOSNHAFPOD-MRXNPFEDSA-N 2 1 252.446 3.563 20 0 CHADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCCCC1 ZINC000462749661 331327269 /nfs/dbraw/zinc/32/72/69/331327269.db2.gz ULYLUOSNHAFPOD-MRXNPFEDSA-N 2 1 252.446 3.563 20 0 CHADMP CC[NH+]1CCC([N@H+](C)CC[C@H]2CCC[C@H](C)C2)CC1 ZINC000464866694 331372043 /nfs/dbraw/zinc/37/20/43/331372043.db2.gz FGIOAVMKYZNYBF-JKSUJKDBSA-N 2 1 266.473 3.619 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)CC[C@H]2CCC[C@H](C)C2)CC1 ZINC000464866694 331372044 /nfs/dbraw/zinc/37/20/44/331372044.db2.gz FGIOAVMKYZNYBF-JKSUJKDBSA-N 2 1 266.473 3.619 20 0 CHADMP CC(C)[NH+](CC[NH2+][C@@H]1CCC[C@H]1CCCF)C(C)C ZINC000510702252 332912499 /nfs/dbraw/zinc/91/24/99/332912499.db2.gz LVTDKUZITCPFCC-JKSUJKDBSA-N 2 1 272.452 3.613 20 0 CHADMP CC(C)[NH+](CC[NH2+][C@H]1CCC[C@H]1CCCF)C(C)C ZINC000510702249 332912552 /nfs/dbraw/zinc/91/25/52/332912552.db2.gz LVTDKUZITCPFCC-HOTGVXAUSA-N 2 1 272.452 3.613 20 0 CHADMP CC(C)[C@H](C[NH2+][C@H]1CCC[C@H]1CCCF)[NH+]1CCCC1 ZINC000510755335 332915636 /nfs/dbraw/zinc/91/56/36/332915636.db2.gz ORSPRPJBLPDRME-ULQDDVLXSA-N 2 1 284.463 3.615 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000510928690 332920789 /nfs/dbraw/zinc/92/07/89/332920789.db2.gz AZUOUZIRHLAFEG-DJIMGWMZSA-N 2 1 277.456 3.632 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000510928556 332920855 /nfs/dbraw/zinc/92/08/55/332920855.db2.gz AIDBACRUFXYCFS-CVEARBPZSA-N 2 1 277.456 3.776 20 0 CHADMP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccsc1 ZINC000480601749 331778354 /nfs/dbraw/zinc/77/83/54/331778354.db2.gz QWSNHTKEHHLPOG-RBSFLKMASA-N 2 1 280.481 3.767 20 0 CHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccco1 ZINC000484286347 331895602 /nfs/dbraw/zinc/89/56/02/331895602.db2.gz ACUODKIJCOTUOX-PMPSAXMXSA-N 2 1 278.440 3.831 20 0 CHADMP C[C@@H]1C[C@H]1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000488415768 332005681 /nfs/dbraw/zinc/00/56/81/332005681.db2.gz HFQSVEKKBTVFCZ-MDZRGWNJSA-N 2 1 286.463 3.807 20 0 CHADMP CC(C)[C@H]1C[C@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)CS1 ZINC000488419645 332006060 /nfs/dbraw/zinc/00/60/60/332006060.db2.gz HGALUJJZROOULT-DOTOQJQBSA-N 2 1 298.540 3.761 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C/C(C)=C/c1ccccc1 ZINC000513089339 333003753 /nfs/dbraw/zinc/00/37/53/333003753.db2.gz MZWSKPKCIGRAOS-QCUIPMNBSA-N 2 1 272.436 3.554 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C/C(C)=C/c1ccccc1 ZINC000513089339 333003755 /nfs/dbraw/zinc/00/37/55/333003755.db2.gz MZWSKPKCIGRAOS-QCUIPMNBSA-N 2 1 272.436 3.554 20 0 CHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]C4CCC4)[C@@H]3C2)cc1 ZINC000513656744 333029925 /nfs/dbraw/zinc/02/99/25/333029925.db2.gz XBWNRRMEQNUSPT-SXLOBPIMSA-N 2 1 298.474 3.819 20 0 CHADMP C[N@H+](Cc1ccc(C(C)(C)C)s1)CC1CC[NH+](C)CC1 ZINC000513723885 333035742 /nfs/dbraw/zinc/03/57/42/333035742.db2.gz BOOWHFGSQUHGGZ-UHFFFAOYSA-N 2 1 294.508 3.819 20 0 CHADMP CC(C)C[C@@H](C)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000309762374 333048885 /nfs/dbraw/zinc/04/88/85/333048885.db2.gz ANEKMHLZWBCSKF-QGZVFWFLSA-N 2 1 288.479 3.923 20 0 CHADMP CC(C)(C)C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000309887801 333051056 /nfs/dbraw/zinc/05/10/56/333051056.db2.gz AEGLPDWWRKNWED-SFHVURJKSA-N 2 1 288.479 3.924 20 0 CHADMP CC(C)[C@H](C)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309921989 333051422 /nfs/dbraw/zinc/05/14/22/333051422.db2.gz RFJYXWGTVHBYOV-ZHALLVOQSA-N 2 1 288.479 3.779 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000310019496 333052956 /nfs/dbraw/zinc/05/29/56/333052956.db2.gz QLXWCOULYWROTP-FUHWJXTLSA-N 2 1 286.463 3.677 20 0 CHADMP CC[NH+](CC)CCC[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000513970202 333056528 /nfs/dbraw/zinc/05/65/28/333056528.db2.gz LYSTVMWALFXKOJ-CQSZACIVSA-N 2 1 266.404 3.550 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000513970202 333056530 /nfs/dbraw/zinc/05/65/30/333056530.db2.gz LYSTVMWALFXKOJ-CQSZACIVSA-N 2 1 266.404 3.550 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)C2CCC2)CC1 ZINC000178166547 333068849 /nfs/dbraw/zinc/06/88/49/333068849.db2.gz JNBYEPWZTJKBEE-INIZCTEOSA-N 2 1 286.463 3.738 20 0 CHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCC3CCCCC3)C2)C1 ZINC000516796624 333082873 /nfs/dbraw/zinc/08/28/73/333082873.db2.gz NIGGVKNOIDREIB-GOSISDBHSA-N 2 1 278.484 3.765 20 0 CHADMP C[C@H]([NH2+][C@H]1CCCC[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183185342 333119359 /nfs/dbraw/zinc/11/93/59/333119359.db2.gz KHTIQUILXCCIQQ-HPFXQQBRSA-N 2 1 278.484 3.808 20 0 CHADMP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000185333342 333138657 /nfs/dbraw/zinc/13/86/57/333138657.db2.gz DPPMUWYZKAXLQM-CVEARBPZSA-N 2 1 295.430 3.525 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(SCC)c2)C1 ZINC000185487340 333141525 /nfs/dbraw/zinc/14/15/25/333141525.db2.gz JNYZGVQFTIPKRD-MRXNPFEDSA-N 2 1 292.492 3.620 20 0 CHADMP COc1ccsc1[C@@H](C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000186286028 333158009 /nfs/dbraw/zinc/15/80/09/333158009.db2.gz BGPZVJZHCMMIFK-ZIAGYGMSSA-N 2 1 296.480 3.672 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc21 ZINC000224113601 333216783 /nfs/dbraw/zinc/21/67/83/333216783.db2.gz WAESCGOZOUAQAS-FSZRXZPDSA-N 2 1 272.436 3.697 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc21 ZINC000224113601 333216785 /nfs/dbraw/zinc/21/67/85/333216785.db2.gz WAESCGOZOUAQAS-FSZRXZPDSA-N 2 1 272.436 3.697 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000195139163 333246438 /nfs/dbraw/zinc/24/64/38/333246438.db2.gz SJCHYIDZSYCTPJ-RDJZCZTQSA-N 2 1 274.452 3.533 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000195139185 333246578 /nfs/dbraw/zinc/24/65/78/333246578.db2.gz SJCHYIDZSYCTPJ-DOTOQJQBSA-N 2 1 274.452 3.533 20 0 CHADMP CCc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000227374341 333282070 /nfs/dbraw/zinc/28/20/70/333282070.db2.gz VRCOAOYKZZFPEA-UONOGXRCSA-N 2 1 286.419 3.568 20 0 CHADMP CCc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000227374341 333282071 /nfs/dbraw/zinc/28/20/71/333282071.db2.gz VRCOAOYKZZFPEA-UONOGXRCSA-N 2 1 286.419 3.568 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCc2sc(Cl)cc21 ZINC000229591627 333306587 /nfs/dbraw/zinc/30/65/87/333306587.db2.gz CPFQCZDKJXIKQP-KGYLQXTDSA-N 2 1 298.883 3.709 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCc2sc(Cl)cc21 ZINC000229591627 333306588 /nfs/dbraw/zinc/30/65/88/333306588.db2.gz CPFQCZDKJXIKQP-KGYLQXTDSA-N 2 1 298.883 3.709 20 0 CHADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000230769317 333321584 /nfs/dbraw/zinc/32/15/84/333321584.db2.gz XJNKWYXIMZNOQY-ULQDDVLXSA-N 2 1 278.484 3.665 20 0 CHADMP CC(C)[C@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000232757042 333342486 /nfs/dbraw/zinc/34/24/86/333342486.db2.gz LAMGQYPKFYJVFS-APWZRJJASA-N 2 1 286.463 3.500 20 0 CHADMP Cc1cc(C)cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000524252670 333357977 /nfs/dbraw/zinc/35/79/77/333357977.db2.gz UYACKLRQRJXEGN-LJQANCHMSA-N 2 1 286.463 3.754 20 0 CHADMP c1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CC=CCC3)CC2)cc1 ZINC000236614797 333374139 /nfs/dbraw/zinc/37/41/39/333374139.db2.gz PHIWSJIQIXYGNT-LJQANCHMSA-N 2 1 298.474 3.639 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC1(C)C ZINC000397592283 333426194 /nfs/dbraw/zinc/42/61/94/333426194.db2.gz KGLFQHLVBGSFED-CRAIPNDOSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H](C[NH2+][C@@H](C)c1ccccc1Cl)C[NH+]1CCCC1 ZINC000062078041 333541826 /nfs/dbraw/zinc/54/18/26/333541826.db2.gz DNFCWWHPNCRSSS-KBPBESRZSA-N 2 1 280.843 3.723 20 0 CHADMP CCC(CC)(C[NH2+]C(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000540596151 333736818 /nfs/dbraw/zinc/73/68/18/333736818.db2.gz PCCSFMWLFPBJJD-OAHLLOKOSA-N 2 1 262.441 3.894 20 0 CHADMP CC[C@H]1CCC[C@H]([NH2+]CC[NH+](C(C)C)C(C)C)C1 ZINC000071104562 333843539 /nfs/dbraw/zinc/84/35/39/333843539.db2.gz LETLOWANXVAFTC-HOTGVXAUSA-N 2 1 254.462 3.664 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)C2CCC2)o1 ZINC000543592973 333882580 /nfs/dbraw/zinc/88/25/80/333882580.db2.gz ZDSBRKABYFJZKQ-LZLYRXPVSA-N 2 1 290.451 3.892 20 0 CHADMP CC(C)=CCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000564304658 334039732 /nfs/dbraw/zinc/03/97/32/334039732.db2.gz MEHMVYNVPUSEQN-MJGOQNOKSA-N 2 1 286.463 3.843 20 0 CHADMP C[C@H](CCc1ccc(Cl)s1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000546656485 334044040 /nfs/dbraw/zinc/04/40/40/334044040.db2.gz PXTWAUCSWWITHM-GFCCVEGCSA-N 2 1 298.883 3.574 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(C)o2)CC1 ZINC000134154867 334082253 /nfs/dbraw/zinc/08/22/53/334082253.db2.gz WIARQDOXJMMCLP-UHFFFAOYSA-N 2 1 278.440 3.532 20 0 CHADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(-c2ccccc2)o1 ZINC000547538888 334100138 /nfs/dbraw/zinc/10/01/38/334100138.db2.gz LZHBRQFQHIRPDK-AWEZNQCLSA-N 2 1 295.386 3.573 20 0 CHADMP C[NH+]1CCC([NH2+]CC2CCC(C(C)(C)C)CC2)CC1 ZINC000135691720 334136459 /nfs/dbraw/zinc/13/64/59/334136459.db2.gz UJSZLMNUQWAGFF-UHFFFAOYSA-N 2 1 266.473 3.523 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000136207692 334149368 /nfs/dbraw/zinc/14/93/68/334149368.db2.gz WZODALKXZCAZNP-CZUORRHYSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(Cl)ccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000136207692 334149372 /nfs/dbraw/zinc/14/93/72/334149372.db2.gz WZODALKXZCAZNP-CZUORRHYSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000136207692 334149374 /nfs/dbraw/zinc/14/93/74/334149374.db2.gz WZODALKXZCAZNP-CZUORRHYSA-N 2 1 280.843 3.563 20 0 CHADMP CC(C)[NH+](CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1)C(C)C ZINC000549146791 334186511 /nfs/dbraw/zinc/18/65/11/334186511.db2.gz YBQJVLCQIXUQAJ-NEWSRXKRSA-N 2 1 288.479 3.887 20 0 CHADMP CC(C)CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)C1CC1 ZINC000549228201 334188238 /nfs/dbraw/zinc/18/82/38/334188238.db2.gz HMCGCEVBCWIFBT-AEFFLSMTSA-N 2 1 280.500 3.911 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CCN([C@H](C)c2ccc(F)c(F)c2)C1 ZINC000245432210 334192809 /nfs/dbraw/zinc/19/28/09/334192809.db2.gz OMGXITYEPYBKEC-KGLIPLIRSA-N 2 1 296.405 3.690 20 0 CHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(F)c(F)c2)C1 ZINC000245456909 334194425 /nfs/dbraw/zinc/19/44/25/334194425.db2.gz JGDXCOWLJNLWDC-ZIAGYGMSSA-N 2 1 296.405 3.736 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(F)c(F)c2)C1 ZINC000245456909 334194426 /nfs/dbraw/zinc/19/44/26/334194426.db2.gz JGDXCOWLJNLWDC-ZIAGYGMSSA-N 2 1 296.405 3.736 20 0 CHADMP CC[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245566299 334204065 /nfs/dbraw/zinc/20/40/65/334204065.db2.gz XCFILUHQOREJJM-BQFCYCMXSA-N 2 1 274.452 3.675 20 0 CHADMP CC[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245566299 334204066 /nfs/dbraw/zinc/20/40/66/334204066.db2.gz XCFILUHQOREJJM-BQFCYCMXSA-N 2 1 274.452 3.675 20 0 CHADMP CC[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245566300 334204146 /nfs/dbraw/zinc/20/41/46/334204146.db2.gz XCFILUHQOREJJM-XYJFISCASA-N 2 1 274.452 3.675 20 0 CHADMP CC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245566300 334204148 /nfs/dbraw/zinc/20/41/48/334204148.db2.gz XCFILUHQOREJJM-XYJFISCASA-N 2 1 274.452 3.675 20 0 CHADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CC[C@H]1c1ccccc1 ZINC000245688339 334212691 /nfs/dbraw/zinc/21/26/91/334212691.db2.gz PYKGCJGKGOSFAL-NZSAHSFTSA-N 2 1 286.463 3.596 20 0 CHADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)CC[C@H]1c1ccccc1 ZINC000245688339 334212693 /nfs/dbraw/zinc/21/26/93/334212693.db2.gz PYKGCJGKGOSFAL-NZSAHSFTSA-N 2 1 286.463 3.596 20 0 CHADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)CC[C@H]1c1ccccc1 ZINC000245688339 334212694 /nfs/dbraw/zinc/21/26/94/334212694.db2.gz PYKGCJGKGOSFAL-NZSAHSFTSA-N 2 1 286.463 3.596 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000550238837 334216840 /nfs/dbraw/zinc/21/68/40/334216840.db2.gz MDBDWXQBTFPPIF-WMLDXEAASA-N 2 1 292.854 3.819 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000550238837 334216845 /nfs/dbraw/zinc/21/68/45/334216845.db2.gz MDBDWXQBTFPPIF-WMLDXEAASA-N 2 1 292.854 3.819 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000550238837 334216846 /nfs/dbraw/zinc/21/68/46/334216846.db2.gz MDBDWXQBTFPPIF-WMLDXEAASA-N 2 1 292.854 3.819 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000550238837 334216848 /nfs/dbraw/zinc/21/68/48/334216848.db2.gz MDBDWXQBTFPPIF-WMLDXEAASA-N 2 1 292.854 3.819 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000550238837 334216849 /nfs/dbraw/zinc/21/68/49/334216849.db2.gz MDBDWXQBTFPPIF-WMLDXEAASA-N 2 1 292.854 3.819 20 0 CHADMP CC(C)CCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550611896 334225202 /nfs/dbraw/zinc/22/52/02/334225202.db2.gz DQRHSCCCVJASRD-ROUUACIJSA-N 2 1 274.452 3.848 20 0 CHADMP CC(C)CCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550611896 334225203 /nfs/dbraw/zinc/22/52/03/334225203.db2.gz DQRHSCCCVJASRD-ROUUACIJSA-N 2 1 274.452 3.848 20 0 CHADMP CCC(CC)C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551030099 334236560 /nfs/dbraw/zinc/23/65/60/334236560.db2.gz HNXWWSYZWVPDOT-ROUUACIJSA-N 2 1 274.452 3.848 20 0 CHADMP CCC(CC)C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551030099 334236561 /nfs/dbraw/zinc/23/65/61/334236561.db2.gz HNXWWSYZWVPDOT-ROUUACIJSA-N 2 1 274.452 3.848 20 0 CHADMP CC(C)C1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000551087045 334238310 /nfs/dbraw/zinc/23/83/10/334238310.db2.gz LDOKMWWNLDCPPQ-QZTJIDSGSA-N 2 1 286.463 3.848 20 0 CHADMP CC(C)C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000551087045 334238311 /nfs/dbraw/zinc/23/83/11/334238311.db2.gz LDOKMWWNLDCPPQ-QZTJIDSGSA-N 2 1 286.463 3.848 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)(C)C)[C@H]2CCC[C@@H]21 ZINC000551229007 334241720 /nfs/dbraw/zinc/24/17/20/334241720.db2.gz POFVTPBYCFIAOH-ILXRZTDVSA-N 2 1 266.473 3.521 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(Cl)s2)C1 ZINC000247073347 334275252 /nfs/dbraw/zinc/27/52/52/334275252.db2.gz OJPXWSFBPUAYCC-NEPJUHHUSA-N 2 1 286.872 3.784 20 0 CHADMP CCC1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000551525853 334252552 /nfs/dbraw/zinc/25/25/52/334252552.db2.gz TWCPASWQSCBQEV-GSHBMFQSSA-N 2 1 286.463 3.675 20 0 CHADMP CCC1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000551525853 334252554 /nfs/dbraw/zinc/25/25/54/334252554.db2.gz TWCPASWQSCBQEV-GSHBMFQSSA-N 2 1 286.463 3.675 20 0 CHADMP CC(C)=CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000551589337 334255288 /nfs/dbraw/zinc/25/52/88/334255288.db2.gz WGHBLZUYHAUVFK-UHFFFAOYSA-N 2 1 298.474 3.941 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC000247116048 334275872 /nfs/dbraw/zinc/27/58/72/334275872.db2.gz UFIIKVQODBVLKB-CABCVRRESA-N 2 1 278.415 3.597 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246457481 334258565 /nfs/dbraw/zinc/25/85/65/334258565.db2.gz YMMMAXTWDBFZJV-CVEARBPZSA-N 2 1 282.431 3.784 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000247202650 334277486 /nfs/dbraw/zinc/27/74/86/334277486.db2.gz WMJKYAOJWHMWGN-OLZOCXBDSA-N 2 1 298.833 3.862 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000552091146 334288253 /nfs/dbraw/zinc/28/82/53/334288253.db2.gz CFVNAMUBMOBDJZ-HJZRJOMTSA-N 2 1 286.463 3.818 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)c1ccccc1 ZINC000247982929 334292957 /nfs/dbraw/zinc/29/29/57/334292957.db2.gz INPKPTYVQDCYRM-JQHSSLGASA-N 2 1 288.479 3.815 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)(C)c1ccccc1 ZINC000247982929 334292958 /nfs/dbraw/zinc/29/29/58/334292958.db2.gz INPKPTYVQDCYRM-JQHSSLGASA-N 2 1 288.479 3.815 20 0 CHADMP CC1=CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000552133217 334293589 /nfs/dbraw/zinc/29/35/89/334293589.db2.gz BNGLXSIIPQIZAM-YZGWKJHDSA-N 2 1 298.474 3.985 20 0 CHADMP CC1=CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000552133217 334293590 /nfs/dbraw/zinc/29/35/90/334293590.db2.gz BNGLXSIIPQIZAM-YZGWKJHDSA-N 2 1 298.474 3.985 20 0 CHADMP C[C@H]([NH2+][C@H]1CCCC[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248399811 334300237 /nfs/dbraw/zinc/30/02/37/334300237.db2.gz KHTIQUILXCCIQQ-CVYDXHPNSA-N 2 1 278.484 3.808 20 0 CHADMP CC(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000552247723 334308107 /nfs/dbraw/zinc/30/81/07/334308107.db2.gz YGDQLFSZYRNRKZ-QRVBRYPASA-N 2 1 286.463 3.772 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@H](C)c2ccccc2)C1 ZINC000248883082 334320745 /nfs/dbraw/zinc/32/07/45/334320745.db2.gz LGAADYDXDSBSLC-ROUUACIJSA-N 2 1 288.479 3.844 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC[C@H](C)c2ccccc2)C1 ZINC000248883082 334320746 /nfs/dbraw/zinc/32/07/46/334320746.db2.gz LGAADYDXDSBSLC-ROUUACIJSA-N 2 1 288.479 3.844 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@H](C)c2ccccc2)C1 ZINC000248883082 334320747 /nfs/dbraw/zinc/32/07/47/334320747.db2.gz LGAADYDXDSBSLC-ROUUACIJSA-N 2 1 288.479 3.844 20 0 CHADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000249086013 334327099 /nfs/dbraw/zinc/32/70/99/334327099.db2.gz IVOUAYIJSVJHHE-BHIYHBOVSA-N 2 1 286.463 3.677 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3CCC34CCCC4)C2)cc1 ZINC000249107054 334327900 /nfs/dbraw/zinc/32/79/00/334327900.db2.gz PSNKLTMOBYPGRJ-MOPGFXCFSA-N 2 1 298.474 3.821 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1CCc1ccccc1 ZINC000089425678 334345040 /nfs/dbraw/zinc/34/50/40/334345040.db2.gz FATHSGGOIZHWPB-RTBURBONSA-N 2 1 286.463 3.568 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000089425678 334345041 /nfs/dbraw/zinc/34/50/41/334345041.db2.gz FATHSGGOIZHWPB-RTBURBONSA-N 2 1 286.463 3.568 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000089425678 334345042 /nfs/dbraw/zinc/34/50/42/334345042.db2.gz FATHSGGOIZHWPB-RTBURBONSA-N 2 1 286.463 3.568 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000089541549 334346393 /nfs/dbraw/zinc/34/63/93/334346393.db2.gz NVWDVFDORMXLII-CKEIUWERSA-N 2 1 294.870 3.591 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C2CC2)cc1 ZINC000251509585 334362584 /nfs/dbraw/zinc/36/25/84/334362584.db2.gz ZIGFLVWAWFEWRG-FHWLQOOXSA-N 2 1 284.447 3.663 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCc2ccccc21 ZINC000251574164 334364628 /nfs/dbraw/zinc/36/46/28/334364628.db2.gz AULFMTJKMCQIKL-QAPCUYQASA-N 2 1 272.436 3.528 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)C1CCCC1 ZINC000090798239 334367866 /nfs/dbraw/zinc/36/78/66/334367866.db2.gz CNJTZHOHUYLKOT-IIAWOOMASA-N 2 1 266.473 3.521 20 0 CHADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC000251801035 334369976 /nfs/dbraw/zinc/36/99/76/334369976.db2.gz OCDLAQPZLSMJNV-BRWVUGGUSA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252419972 334379305 /nfs/dbraw/zinc/37/93/05/334379305.db2.gz XBNCOFTXYQOTFJ-YEUAOBPJSA-N 2 1 278.484 3.662 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC000252438604 334379941 /nfs/dbraw/zinc/37/99/41/334379941.db2.gz DPTKTCXLTPRJLI-QRQLOZEOSA-N 2 1 286.463 3.644 20 0 CHADMP CSc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252641402 334383794 /nfs/dbraw/zinc/38/37/94/334383794.db2.gz LTIWQEPGMDIPMM-BPUTZDHNSA-N 2 1 290.476 3.686 20 0 CHADMP Clc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000252673291 334384887 /nfs/dbraw/zinc/38/48/87/334384887.db2.gz IMTSXFWRHDCSIA-OLZOCXBDSA-N 2 1 299.245 3.710 20 0 CHADMP Clc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000252673291 334384888 /nfs/dbraw/zinc/38/48/88/334384888.db2.gz IMTSXFWRHDCSIA-OLZOCXBDSA-N 2 1 299.245 3.710 20 0 CHADMP CC(C)(C)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252674609 334385145 /nfs/dbraw/zinc/38/51/45/334385145.db2.gz SPIUXJIYCFTJKN-ROUUACIJSA-N 2 1 286.463 3.701 20 0 CHADMP CC1=C[C@H](C)C[C@@H](C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000576438598 335203615 /nfs/dbraw/zinc/20/36/15/335203615.db2.gz RZEAGSXFMMUSNS-KVSKMBFKSA-N 2 1 290.495 3.643 20 0 CHADMP CC1(C)CC(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000576576117 335220567 /nfs/dbraw/zinc/22/05/67/335220567.db2.gz KLTWAVXQKVNFBL-DLBZAZTESA-N 2 1 272.436 3.506 20 0 CHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000577196779 335320855 /nfs/dbraw/zinc/32/08/55/335320855.db2.gz QAQLQLLJHRSDRV-INIZCTEOSA-N 2 1 292.854 3.504 20 0 CHADMP c1csc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000577672096 335387477 /nfs/dbraw/zinc/38/74/77/335387477.db2.gz ANLLFMLDBWECCI-UHFFFAOYSA-N 2 1 278.465 3.635 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCCC12CC2 ZINC000581142135 336015402 /nfs/dbraw/zinc/01/54/02/336015402.db2.gz IHQZATRDFFSWAZ-SFHVURJKSA-N 2 1 286.463 3.949 20 0 CHADMP CC[C@H](C)[NH+]1CCCC2(CCC[N@H+]([C@@H](C)CC)C2)C1 ZINC000581280374 336036180 /nfs/dbraw/zinc/03/61/80/336036180.db2.gz AFPWMKHIULPSAB-PYNWJHIZSA-N 2 1 266.473 3.761 20 0 CHADMP CC[C@@H](C)[NH+]1CCC[C@@]2(CCC[N@H+]([C@@H](C)CC)C2)C1 ZINC000581280372 336036194 /nfs/dbraw/zinc/03/61/94/336036194.db2.gz AFPWMKHIULPSAB-IXDOHACOSA-N 2 1 266.473 3.761 20 0 CHADMP CC[C@@H](C)[N@@H+]1CCC[C@@]2(CCC[NH+]([C@@H](C)CC)C2)C1 ZINC000581280372 336036195 /nfs/dbraw/zinc/03/61/95/336036195.db2.gz AFPWMKHIULPSAB-IXDOHACOSA-N 2 1 266.473 3.761 20 0 CHADMP CC[C@@H](C)[N@H+]1CCC[C@@]2(CCC[NH+]([C@@H](C)CC)C2)C1 ZINC000581280372 336036197 /nfs/dbraw/zinc/03/61/97/336036197.db2.gz AFPWMKHIULPSAB-IXDOHACOSA-N 2 1 266.473 3.761 20 0 CHADMP Cc1cnccc1CC[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000581308054 336044971 /nfs/dbraw/zinc/04/49/71/336044971.db2.gz STVWYKXAEBZDSW-CYBMUJFWSA-N 2 1 290.357 3.904 20 0 CHADMP CC[N@@H+](CCCc1cncn1C)Cc1ccccc1Cl ZINC000581318379 336047783 /nfs/dbraw/zinc/04/77/83/336047783.db2.gz OZROATGCGBVXQT-UHFFFAOYSA-N 2 1 291.826 3.528 20 0 CHADMP CC[N@@H+](CCCc1c[nH+]cn1C)Cc1ccccc1Cl ZINC000581318379 336047786 /nfs/dbraw/zinc/04/77/86/336047786.db2.gz OZROATGCGBVXQT-UHFFFAOYSA-N 2 1 291.826 3.528 20 0 CHADMP C[C@@H]([NH2+][C@H]1CCC[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381777872 336072697 /nfs/dbraw/zinc/07/26/97/336072697.db2.gz XBNNELJWHZVWMC-FPAYPSAMSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@H](CC1CC1)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381935997 336078506 /nfs/dbraw/zinc/07/85/06/336078506.db2.gz UQGSOEMEGFOZLB-GPMSIDNRSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@H](CC1CC1)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381935998 336078632 /nfs/dbraw/zinc/07/86/32/336078632.db2.gz UQGSOEMEGFOZLB-JTDSTZFVSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(Cl)cc1Cl ZINC000382559913 336093610 /nfs/dbraw/zinc/09/36/10/336093610.db2.gz RPLKGBGBFODIGF-SNVBAGLBSA-N 2 1 287.234 3.786 20 0 CHADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(Cl)cc1Cl ZINC000382559912 336093659 /nfs/dbraw/zinc/09/36/59/336093659.db2.gz RPLKGBGBFODIGF-JTQLQIEISA-N 2 1 287.234 3.786 20 0 CHADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000383937815 336119408 /nfs/dbraw/zinc/11/94/08/336119408.db2.gz XCPWUOURDFAXGD-KTAKPFMOSA-N 2 1 294.870 3.904 20 0 CHADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000383937815 336119409 /nfs/dbraw/zinc/11/94/09/336119409.db2.gz XCPWUOURDFAXGD-KTAKPFMOSA-N 2 1 294.870 3.904 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CC34CCCC4)CC2)cc1 ZINC000387385118 336193483 /nfs/dbraw/zinc/19/34/83/336193483.db2.gz ZBIJCQVETNWGRX-GOSISDBHSA-N 2 1 284.447 3.573 20 0 CHADMP Cc1cc2cc(C[N@@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)oc2cc1C ZINC000347040491 534086524 /nfs/dbraw/zinc/08/65/24/534086524.db2.gz HYDNVUFGXMUFKQ-HUUCEWRRSA-N 2 1 286.419 3.609 20 0 CHADMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000211860216 518707590 /nfs/dbraw/zinc/70/75/90/518707590.db2.gz DOLCYLVLARCIGH-KRWDZBQOSA-N 2 1 290.426 3.666 20 0 CHADMP CC(C)(C)[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000127866391 518967671 /nfs/dbraw/zinc/96/76/71/518967671.db2.gz LXFPMWHMQPAMNU-RCCFBDPRSA-N 2 1 286.463 3.990 20 0 CHADMP Cc1cc[nH+]c(NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000347757973 534404144 /nfs/dbraw/zinc/40/41/44/534404144.db2.gz UQWSZNAARGLWPD-UHFFFAOYSA-N 2 1 281.403 3.598 20 0 CHADMP CC(C)=CCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000276600266 519415281 /nfs/dbraw/zinc/41/52/81/519415281.db2.gz AYSNLTGWQDAVHI-UHFFFAOYSA-N 2 1 286.463 3.639 20 0 CHADMP CC(C)CCC[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000338437496 519641075 /nfs/dbraw/zinc/64/10/75/519641075.db2.gz SQDFWDXZMBWFJM-INIZCTEOSA-N 2 1 254.462 3.667 20 0 CHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2cnc3ccccc3c2)CC1 ZINC000337126368 519670175 /nfs/dbraw/zinc/67/01/75/519670175.db2.gz FXIMORDEHOBICQ-UHFFFAOYSA-N 2 1 297.446 3.539 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cnc3ccccc3c2)CC1 ZINC000337126368 519670177 /nfs/dbraw/zinc/67/01/77/519670177.db2.gz FXIMORDEHOBICQ-UHFFFAOYSA-N 2 1 297.446 3.539 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC000125944667 519676848 /nfs/dbraw/zinc/67/68/48/519676848.db2.gz DAAMAGIQCOKUIR-GJZGRUSLSA-N 2 1 278.415 3.597 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]3CCC[C@@H]31)CCC2 ZINC000352596895 534453629 /nfs/dbraw/zinc/45/36/29/534453629.db2.gz DRKAFNKWIRXELS-VBSBHUPXSA-N 2 1 298.474 3.835 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)c2ccc3ccccc3c2)C1 ZINC000040592689 522085254 /nfs/dbraw/zinc/08/52/54/522085254.db2.gz HUMWSHVFQIWHNJ-HZPDHXFCSA-N 2 1 282.431 3.832 20 0 CHADMP C[NH+](CCCCC[N@H+](C)Cc1ccoc1)Cc1ccoc1 ZINC000354241434 522726493 /nfs/dbraw/zinc/72/64/93/522726493.db2.gz SZLGCECUFWXVSU-UHFFFAOYSA-N 2 1 290.407 3.607 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(C)cc1 ZINC000037649154 522867551 /nfs/dbraw/zinc/86/75/51/522867551.db2.gz FCBQOFFGWZJELH-CRAIPNDOSA-N 2 1 272.436 3.520 20 0 CHADMP C[N@@H+](Cc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000226452047 523171861 /nfs/dbraw/zinc/17/18/61/523171861.db2.gz KJZOJKRCNYNAFN-CQSZACIVSA-N 2 1 287.234 3.567 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1ccoc1)C1CCCCC1 ZINC000340371811 523819899 /nfs/dbraw/zinc/81/98/99/523819899.db2.gz MBUOFVXQLMQLRI-QGZVFWFLSA-N 2 1 290.451 3.899 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1ccoc1)C1CCCCC1 ZINC000340371811 523819902 /nfs/dbraw/zinc/81/99/02/523819902.db2.gz MBUOFVXQLMQLRI-QGZVFWFLSA-N 2 1 290.451 3.899 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1ccoc1)C1CCCCC1 ZINC000340371811 523819907 /nfs/dbraw/zinc/81/99/07/523819907.db2.gz MBUOFVXQLMQLRI-QGZVFWFLSA-N 2 1 290.451 3.899 20 0 CHADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000130479181 524167974 /nfs/dbraw/zinc/16/79/74/524167974.db2.gz YUKUVOMLLIZUBX-NTZNESFSSA-N 2 1 284.494 3.603 20 0 CHADMP C[C@@H](CCc1ccccc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164014 524535547 /nfs/dbraw/zinc/53/55/47/524535547.db2.gz KKBUIWSFUPFOJH-UXDRXVOSSA-N 2 1 286.463 3.613 20 0 CHADMP C[C@@H](CCc1ccccc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164014 524535558 /nfs/dbraw/zinc/53/55/58/524535558.db2.gz KKBUIWSFUPFOJH-UXDRXVOSSA-N 2 1 286.463 3.613 20 0 CHADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1nccc2ccccc21 ZINC000289581629 525336958 /nfs/dbraw/zinc/33/69/58/525336958.db2.gz DVETYOJXNWBQOM-INIZCTEOSA-N 2 1 297.446 3.761 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000279840842 525403023 /nfs/dbraw/zinc/40/30/23/525403023.db2.gz HPAYBYAGHPMPKT-CHWSQXEVSA-N 2 1 280.843 3.516 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCc3ccccc32)CC[N@@H+]1C ZINC000156216616 525445245 /nfs/dbraw/zinc/44/52/45/525445245.db2.gz BUORVAQHVXGKBC-QGPMSJSTSA-N 2 1 272.436 3.526 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCc3ccccc32)CC[N@H+]1C ZINC000156216616 525445253 /nfs/dbraw/zinc/44/52/53/525445253.db2.gz BUORVAQHVXGKBC-QGPMSJSTSA-N 2 1 272.436 3.526 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)s1 ZINC000275584173 525487034 /nfs/dbraw/zinc/48/70/34/525487034.db2.gz PFMSQWFCIABUIU-MNOVXSKESA-N 2 1 295.839 3.511 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc2ccccc21 ZINC000093978072 525567159 /nfs/dbraw/zinc/56/71/59/525567159.db2.gz PREAVEQNOPUMDS-HLLBOEOZSA-N 2 1 282.431 3.973 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc2ccccc21 ZINC000093978072 525567165 /nfs/dbraw/zinc/56/71/65/525567165.db2.gz PREAVEQNOPUMDS-HLLBOEOZSA-N 2 1 282.431 3.973 20 0 CHADMP COc1ccc2cc([C@@H](C)[NH2+]C3CC[NH+](C)CC3)ccc2c1 ZINC000119711155 525636031 /nfs/dbraw/zinc/63/60/31/525636031.db2.gz XADGKONUAJMGKG-CQSZACIVSA-N 2 1 298.430 3.593 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)s1 ZINC000125724952 525729440 /nfs/dbraw/zinc/72/94/40/525729440.db2.gz MAPPAFRONWLPDY-CABCVRRESA-N 2 1 280.481 3.828 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)s1 ZINC000125725184 525923281 /nfs/dbraw/zinc/92/32/81/525923281.db2.gz MAPPAFRONWLPDY-GJZGRUSLSA-N 2 1 280.481 3.828 20 0 CHADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527693 526043774 /nfs/dbraw/zinc/04/37/74/526043774.db2.gz OVUOBCBANDDYFV-HUUCEWRRSA-N 2 1 274.452 3.716 20 0 CHADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527623 526066040 /nfs/dbraw/zinc/06/60/40/526066040.db2.gz BUYASQPRJLQELC-LSDHHAIUSA-N 2 1 268.404 3.572 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277256793 526112171 /nfs/dbraw/zinc/11/21/71/526112171.db2.gz QPPAQLNFDPVYFM-ZIAGYGMSSA-N 2 1 280.843 3.817 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277256793 526112180 /nfs/dbraw/zinc/11/21/80/526112180.db2.gz QPPAQLNFDPVYFM-ZIAGYGMSSA-N 2 1 280.843 3.817 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC34CCC4)CC2)cc1 ZINC000282091039 526467733 /nfs/dbraw/zinc/46/77/33/526467733.db2.gz ICSSLGJBIAGIHS-GOSISDBHSA-N 2 1 284.447 3.573 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCC34CCC4)CC2)cc1 ZINC000282091044 526468654 /nfs/dbraw/zinc/46/86/54/526468654.db2.gz ICSSLGJBIAGIHS-SFHVURJKSA-N 2 1 284.447 3.573 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000275615135 527422518 /nfs/dbraw/zinc/42/25/18/527422518.db2.gz RKRBRUQDIMFXOC-RTBURBONSA-N 2 1 297.446 3.583 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000339240111 527445407 /nfs/dbraw/zinc/44/54/07/527445407.db2.gz NSWAUTLZJTVODQ-OAHLLOKOSA-N 2 1 297.446 3.885 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3ccccc3n2)C[C@H]1C ZINC000353749437 527755109 /nfs/dbraw/zinc/75/51/09/527755109.db2.gz KYYQWUJWBFSMNV-CRAIPNDOSA-N 2 1 297.446 3.539 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3ccccc3n2)C[C@H]1C ZINC000353749437 527755113 /nfs/dbraw/zinc/75/51/13/527755113.db2.gz KYYQWUJWBFSMNV-CRAIPNDOSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc3ccccc3n2)C[C@H]1C ZINC000353749437 527755114 /nfs/dbraw/zinc/75/51/14/527755114.db2.gz KYYQWUJWBFSMNV-CRAIPNDOSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc3ccccc3n2)C[C@H]1C ZINC000353749437 527755117 /nfs/dbraw/zinc/75/51/17/527755117.db2.gz KYYQWUJWBFSMNV-CRAIPNDOSA-N 2 1 297.446 3.539 20 0 CHADMP CC(C)CC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccoc1 ZINC000353441480 527808641 /nfs/dbraw/zinc/80/86/41/527808641.db2.gz MVVOXAMUILNRBK-MRXNPFEDSA-N 2 1 280.456 3.934 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000192923248 529179988 /nfs/dbraw/zinc/17/99/88/529179988.db2.gz YQERAZFTIJUATM-QZTJIDSGSA-N 2 1 274.452 3.533 20 0 CHADMP CCC[C@H]([NH2+]C1CC[NH+](C)CC1)c1cc(C)sc1C ZINC000623853774 1117946703 /nfs/dbraw/zinc/94/67/03/1117946703.db2.gz HJVMPNCJMKYYFF-INIZCTEOSA-N 2 1 280.481 3.890 20 0 CHADMP CC[C@H]1CCC[C@@H](C[NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC001202646249 1125483942 /nfs/dbraw/zinc/48/39/42/1125483942.db2.gz GJAKXKWUEPVWLL-HRCADAONSA-N 2 1 254.462 3.521 20 0 CHADMP CC(C)CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C1CC1 ZINC000624123104 1117985355 /nfs/dbraw/zinc/98/53/55/1117985355.db2.gz FYUIYBBVKRODKJ-DOTOQJQBSA-N 2 1 266.473 3.523 20 0 CHADMP CC[C@H]1CCC[C@@H](C[NH2+][C@@H](C)C[N@H+](C)C(C)C)C1 ZINC001202646249 1125483939 /nfs/dbraw/zinc/48/39/39/1125483939.db2.gz GJAKXKWUEPVWLL-HRCADAONSA-N 2 1 254.462 3.521 20 0 CHADMP CCCCCC[C@H](C)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC000228832537 1118511964 /nfs/dbraw/zinc/51/19/64/1118511964.db2.gz MNFUXKUEARAMMX-AWEZNQCLSA-N 2 1 263.429 3.882 20 0 CHADMP C[NH+](C)C[C@H]1CC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000114198574 1125496603 /nfs/dbraw/zinc/49/66/03/1125496603.db2.gz ZUVDZLSLUAGAJY-OAHLLOKOSA-N 2 1 292.426 3.640 20 0 CHADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@@H]2CCCC[C@H]2C)C1 ZINC001648920964 1119606912 /nfs/dbraw/zinc/60/69/12/1119606912.db2.gz LHMWEDDWBALZEI-ZACQAIPSSA-N 2 1 280.500 3.913 20 0 CHADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@@H]2CCCC[C@H]2C)C1 ZINC001648920964 1119606914 /nfs/dbraw/zinc/60/69/14/1119606914.db2.gz LHMWEDDWBALZEI-ZACQAIPSSA-N 2 1 280.500 3.913 20 0 CHADMP CC(C)Cc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000226334280 1120596621 /nfs/dbraw/zinc/59/66/21/1120596621.db2.gz FMNGPVWKLHUSRP-UHFFFAOYSA-N 2 1 276.468 3.705 20 0 CHADMP CCCC(CCC)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001182959831 1122197570 /nfs/dbraw/zinc/19/75/70/1122197570.db2.gz MOFAAFPZPIESKG-MRXNPFEDSA-N 2 1 266.473 3.952 20 0 CHADMP CCCC(CCC)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001182959831 1122197572 /nfs/dbraw/zinc/19/75/72/1122197572.db2.gz MOFAAFPZPIESKG-MRXNPFEDSA-N 2 1 266.473 3.952 20 0 CHADMP CCC[C@@H](C)[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000444596010 1124044558 /nfs/dbraw/zinc/04/45/58/1124044558.db2.gz KURVPCOJLMOCSO-SJORKVTESA-N 2 1 266.473 3.763 20 0 CHADMP CC[C@H](C)[C@H](C)[N@@H+](CCCCn1ccnc1C)C1CC1 ZINC000120690474 1124967305 /nfs/dbraw/zinc/96/73/05/1124967305.db2.gz UGSNCYNWMJROPE-GJZGRUSLSA-N 2 1 277.456 3.871 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@H](C)C2)CC1 ZINC001173108286 1132391954 /nfs/dbraw/zinc/39/19/54/1132391954.db2.gz AMCDJKREFZGZJU-GTPINHCMSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCCCCCC[NH3+] ZINC000842472663 1132433206 /nfs/dbraw/zinc/43/32/06/1132433206.db2.gz HQDIGTXFMOOTML-BZUAXINKSA-N 2 1 252.446 3.549 20 0 CHADMP CC/C=C\CCCCC[N@H+](C)C1CC[NH+](C)CC1 ZINC001208189269 1133902640 /nfs/dbraw/zinc/90/26/40/1133902640.db2.gz TUJKCNUHBKXANT-WAYWQWQTSA-N 2 1 252.446 3.539 20 0 CHADMP CC/C=C\CCCCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001208189269 1133902645 /nfs/dbraw/zinc/90/26/45/1133902645.db2.gz TUJKCNUHBKXANT-WAYWQWQTSA-N 2 1 252.446 3.539 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cscn1 ZINC000536624828 1125508895 /nfs/dbraw/zinc/50/88/95/1125508895.db2.gz KAEXYZOFEDJXAK-QLFBSQMISA-N 2 1 295.496 3.552 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CCCCC2)C[C@H]1C ZINC000251862082 1125516663 /nfs/dbraw/zinc/51/66/63/1125516663.db2.gz PXLSYICZUMKNNE-BZUAXINKSA-N 2 1 266.473 3.665 20 0 CHADMP CCCCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134872181 1125567490 /nfs/dbraw/zinc/56/74/90/1125567490.db2.gz OKYYRLXRPXQXIA-WBVHZDCISA-N 2 1 264.457 3.515 20 0 CHADMP CCCCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134872181 1125567497 /nfs/dbraw/zinc/56/74/97/1125567497.db2.gz OKYYRLXRPXQXIA-WBVHZDCISA-N 2 1 264.457 3.515 20 0 CHADMP CCCCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134872181 1125567501 /nfs/dbraw/zinc/56/75/01/1125567501.db2.gz OKYYRLXRPXQXIA-WBVHZDCISA-N 2 1 264.457 3.515 20 0 CHADMP CC(C)c1ccc(CC[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC001205981720 1125620933 /nfs/dbraw/zinc/62/09/33/1125620933.db2.gz FZLJKXHCMDUOHP-APWZRJJASA-N 2 1 288.479 3.659 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(SC)c(F)c2)C1 ZINC000247106790 1125655080 /nfs/dbraw/zinc/65/50/80/1125655080.db2.gz QGJOWYCIVHVYIH-CHWSQXEVSA-N 2 1 296.455 3.540 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)C1 ZINC000248634469 1125672892 /nfs/dbraw/zinc/67/28/92/1125672892.db2.gz JLWZNUVIVOXXOD-BPQIPLTHSA-N 2 1 286.463 3.500 20 0 CHADMP CCC1([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886617158 1125698551 /nfs/dbraw/zinc/69/85/51/1125698551.db2.gz FQHLMDZDRAJRRM-BZSNNMDCSA-N 2 1 284.447 3.572 20 0 CHADMP Cc1[nH]c(C2CC[NH+](CCc3ccc(C)cc3)CC2)[nH+]c1C ZINC000886664057 1125704896 /nfs/dbraw/zinc/70/48/96/1125704896.db2.gz AQMNGKDHIGTDGR-UHFFFAOYSA-N 2 1 297.446 3.757 20 0 CHADMP Cc1[nH]c(C2CC[NH+](CCCc3ccccc3)CC2)[nH+]c1C ZINC000886667577 1125704920 /nfs/dbraw/zinc/70/49/20/1125704920.db2.gz CZQNYIOQUZIMCL-UHFFFAOYSA-N 2 1 297.446 3.839 20 0 CHADMP Cc1[nH]c(C2CC[NH+]([C@@H](C)CC(C)C)CC2)[nH+]c1C ZINC000886661223 1125705065 /nfs/dbraw/zinc/70/50/65/1125705065.db2.gz PJCVLTNAFIGZLU-LBPRGKRZSA-N 2 1 263.429 3.641 20 0 CHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCF ZINC000285216425 1125709942 /nfs/dbraw/zinc/70/99/42/1125709942.db2.gz GERJPGNPIUQYHB-QGZVFWFLSA-N 2 1 292.442 3.626 20 0 CHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCF ZINC000285216425 1125709947 /nfs/dbraw/zinc/70/99/47/1125709947.db2.gz GERJPGNPIUQYHB-QGZVFWFLSA-N 2 1 292.442 3.626 20 0 CHADMP C[C@H]([NH3+])C1CC[NH+](Cc2csc(Cl)c2Cl)CC1 ZINC000261928323 1125747881 /nfs/dbraw/zinc/74/78/81/1125747881.db2.gz LENXBOAUVORBCE-QMMMGPOBSA-N 2 1 293.263 3.614 20 0 CHADMP CC(C)[N@@H+](Cc1cccc(Cl)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000261933968 1125748247 /nfs/dbraw/zinc/74/82/47/1125748247.db2.gz DAYNCPWMPSSHSP-INIZCTEOSA-N 2 1 280.843 3.550 20 0 CHADMP Cc1ccccc1[C@H](C(C)C)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261994346 1125749520 /nfs/dbraw/zinc/74/95/20/1125749520.db2.gz KPJNOLFIMGJWAZ-ZWKOTPCHSA-N 2 1 274.452 3.624 20 0 CHADMP CCCC[C@H](CC)CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430125689 1125761427 /nfs/dbraw/zinc/76/14/27/1125761427.db2.gz CNDJOXDXKOXFQU-IRXDYDNUSA-N 2 1 266.473 3.621 20 0 CHADMP CCCC[C@H](CC)CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000430125689 1125761434 /nfs/dbraw/zinc/76/14/34/1125761434.db2.gz CNDJOXDXKOXFQU-IRXDYDNUSA-N 2 1 266.473 3.621 20 0 CHADMP CCCC[C@H](CC)CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000430125689 1125761438 /nfs/dbraw/zinc/76/14/38/1125761438.db2.gz CNDJOXDXKOXFQU-IRXDYDNUSA-N 2 1 266.473 3.621 20 0 CHADMP CC1=C(C)C[C@H]([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000638321327 1129254361 /nfs/dbraw/zinc/25/43/61/1129254361.db2.gz LNBFWIQRMACAQB-JKSUJKDBSA-N 2 1 276.468 3.728 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1ccc(F)cc1F ZINC000136291697 1126725908 /nfs/dbraw/zinc/72/59/08/1126725908.db2.gz ROGVWQPEPPJXCI-LBPRGKRZSA-N 2 1 293.361 3.553 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1ccc(F)cc1F ZINC000136291697 1126725911 /nfs/dbraw/zinc/72/59/11/1126725911.db2.gz ROGVWQPEPPJXCI-LBPRGKRZSA-N 2 1 293.361 3.553 20 0 CHADMP CCCc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000482006574 1126738442 /nfs/dbraw/zinc/73/84/42/1126738442.db2.gz MFTLANPKNGFUEB-OALUTQOASA-N 2 1 286.463 3.555 20 0 CHADMP CCCc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000482006574 1126738446 /nfs/dbraw/zinc/73/84/46/1126738446.db2.gz MFTLANPKNGFUEB-OALUTQOASA-N 2 1 286.463 3.555 20 0 CHADMP CCCc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000482006574 1126738449 /nfs/dbraw/zinc/73/84/49/1126738449.db2.gz MFTLANPKNGFUEB-OALUTQOASA-N 2 1 286.463 3.555 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)Cc2ccccc2)C[C@H]1C ZINC000481993687 1126739353 /nfs/dbraw/zinc/73/93/53/1126739353.db2.gz UUYRMAMWJUISKS-LMMKCTJWSA-N 2 1 288.479 3.670 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)Cc2ccccc2)C[C@H]1C ZINC000481993687 1126739354 /nfs/dbraw/zinc/73/93/54/1126739354.db2.gz UUYRMAMWJUISKS-LMMKCTJWSA-N 2 1 288.479 3.670 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000482358669 1126751985 /nfs/dbraw/zinc/75/19/85/1126751985.db2.gz OTNVLTJEAUEFAU-RDTXWAMCSA-N 2 1 290.426 3.523 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC000483210024 1126772857 /nfs/dbraw/zinc/77/28/57/1126772857.db2.gz CNZOLUJHITXPNH-KRWDZBQOSA-N 2 1 266.473 3.621 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)ccc3ccccc32)C1 ZINC000483216789 1126772874 /nfs/dbraw/zinc/77/28/74/1126772874.db2.gz BLXKLPUPTRKGCV-KRWDZBQOSA-N 2 1 296.458 3.922 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)ccc3ccccc32)C1 ZINC000483216789 1126772876 /nfs/dbraw/zinc/77/28/76/1126772876.db2.gz BLXKLPUPTRKGCV-KRWDZBQOSA-N 2 1 296.458 3.922 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)ccc3ccccc32)C1 ZINC000483216789 1126772880 /nfs/dbraw/zinc/77/28/80/1126772880.db2.gz BLXKLPUPTRKGCV-KRWDZBQOSA-N 2 1 296.458 3.922 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCC2CCCCC2)[C@H](C)C1 ZINC000483252914 1126775806 /nfs/dbraw/zinc/77/58/06/1126775806.db2.gz ARXCEEFCCHOFSB-WBVHZDCISA-N 2 1 266.473 3.619 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCC2CCCCC2)[C@H](C)C1 ZINC000483252914 1126775810 /nfs/dbraw/zinc/77/58/10/1126775810.db2.gz ARXCEEFCCHOFSB-WBVHZDCISA-N 2 1 266.473 3.619 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC2CCCCC2)[C@H](C)C1 ZINC000483252914 1126775812 /nfs/dbraw/zinc/77/58/12/1126775812.db2.gz ARXCEEFCCHOFSB-WBVHZDCISA-N 2 1 266.473 3.619 20 0 CHADMP Cc1ncc(C[N@H+]2CC3(CCCC3)[C@H]2c2ccccc2)n1C ZINC000668229846 1126778836 /nfs/dbraw/zinc/77/88/36/1126778836.db2.gz VUIMYQRGHUNZPX-GOSISDBHSA-N 2 1 295.430 3.846 20 0 CHADMP Cc1ncc(CN2CC3(CCCC3)[C@H]2c2ccccc2)n1C ZINC000668229846 1126778838 /nfs/dbraw/zinc/77/88/38/1126778838.db2.gz VUIMYQRGHUNZPX-GOSISDBHSA-N 2 1 295.430 3.846 20 0 CHADMP C(CC1CCCCC1)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000483293738 1126777451 /nfs/dbraw/zinc/77/74/51/1126777451.db2.gz DPJKVIITNPGADA-INIZCTEOSA-N 2 1 264.457 3.563 20 0 CHADMP C(CC1CCCCC1)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000483293738 1126777455 /nfs/dbraw/zinc/77/74/55/1126777455.db2.gz DPJKVIITNPGADA-INIZCTEOSA-N 2 1 264.457 3.563 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)C2CCCCC2)cn1 ZINC000177233239 1126798469 /nfs/dbraw/zinc/79/84/69/1126798469.db2.gz GDFXPPGUMRKDKB-CQSZACIVSA-N 2 1 298.434 3.634 20 0 CHADMP C[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2n1)C[NH+]1CCCC1 ZINC000178244340 1126810520 /nfs/dbraw/zinc/81/05/20/1126810520.db2.gz SWTZKCQGJUIDQD-CVEARBPZSA-N 2 1 297.446 3.617 20 0 CHADMP CCCC[C@H](CCC)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000484288536 1126814067 /nfs/dbraw/zinc/81/40/67/1126814067.db2.gz AURXBZXAPPGEKW-PMPSAXMXSA-N 2 1 254.462 3.523 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000178701949 1126819241 /nfs/dbraw/zinc/81/92/41/1126819241.db2.gz YVOGGFTXRLNRLT-QWHCGFSZSA-N 2 1 291.826 3.832 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000178707274 1126819483 /nfs/dbraw/zinc/81/94/83/1126819483.db2.gz WFRNEDDYAUYLOP-UONOGXRCSA-N 2 1 297.402 3.925 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccccn2)c1 ZINC000179466756 1126828453 /nfs/dbraw/zinc/82/84/53/1126828453.db2.gz QFGJDLMEEKSOJU-MRXNPFEDSA-N 2 1 297.446 3.773 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904308600 1126843959 /nfs/dbraw/zinc/84/39/59/1126843959.db2.gz SLIZTRCJVFHMPA-JBLDHEPKSA-N 2 1 287.234 3.724 20 0 CHADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)nc2)CC1 ZINC000181378078 1126854834 /nfs/dbraw/zinc/85/48/34/1126854834.db2.gz LYCJUDVGRXCALW-ZDUSSCGKSA-N 2 1 295.858 3.506 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(C)(C)CC)C[C@@H]1C ZINC000484924631 1126856983 /nfs/dbraw/zinc/85/69/83/1126856983.db2.gz IBUANBGMYZPMKD-LSDHHAIUSA-N 2 1 254.462 3.617 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(C)(C)CC)C[C@@H]1C ZINC000484924631 1126856986 /nfs/dbraw/zinc/85/69/86/1126856986.db2.gz IBUANBGMYZPMKD-LSDHHAIUSA-N 2 1 254.462 3.617 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(C)(C)CC)C[C@@H]1C ZINC000484924631 1126856988 /nfs/dbraw/zinc/85/69/88/1126856988.db2.gz IBUANBGMYZPMKD-LSDHHAIUSA-N 2 1 254.462 3.617 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000183188301 1126882706 /nfs/dbraw/zinc/88/27/06/1126882706.db2.gz ICVXLZSOBBQCCT-SOLBZPMBSA-N 2 1 286.463 3.990 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000187246190 1126909393 /nfs/dbraw/zinc/90/93/93/1126909393.db2.gz HVNLFQUZAFTTEU-IBGZPJMESA-N 2 1 299.462 3.829 20 0 CHADMP CC/C=C\CCCCC[N@@H+](CC)C1CC[NH2+]CC1 ZINC001235760134 1130777535 /nfs/dbraw/zinc/77/75/35/1130777535.db2.gz MRZXDNGDPWTETN-WAYWQWQTSA-N 2 1 252.446 3.587 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000194476760 1126974592 /nfs/dbraw/zinc/97/45/92/1126974592.db2.gz YIGKLNAHLLHNCX-MRXNPFEDSA-N 2 1 285.435 3.755 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]CC[C@H](C)c1ccccc1 ZINC000194476774 1126974773 /nfs/dbraw/zinc/97/47/73/1126974773.db2.gz YIGKLNAHLLHNCX-INIZCTEOSA-N 2 1 285.435 3.755 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000268777421 1127023434 /nfs/dbraw/zinc/02/34/34/1127023434.db2.gz BRCLDFKGBPIXJT-CQSZACIVSA-N 2 1 297.402 3.987 20 0 CHADMP CC(C)(C[NH2+]Cc1cc(Cl)cs1)C[NH+]1CCCC1 ZINC000487208274 1127025194 /nfs/dbraw/zinc/02/51/94/1127025194.db2.gz ZXTZRFVQTLLEJM-UHFFFAOYSA-N 2 1 286.872 3.613 20 0 CHADMP CC[C@@H]1c2ccsc2CC[N@H+]1CCCn1cc[nH+]c1C ZINC000269126911 1127035340 /nfs/dbraw/zinc/03/53/40/1127035340.db2.gz GDHCDZOISSDPHJ-OAHLLOKOSA-N 2 1 289.448 3.653 20 0 CHADMP CC[C@@H]1c2ccsc2CC[N@@H+]1CCCn1cc[nH+]c1C ZINC000269126911 1127035342 /nfs/dbraw/zinc/03/53/42/1127035342.db2.gz GDHCDZOISSDPHJ-OAHLLOKOSA-N 2 1 289.448 3.653 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCc2ccc(C)cc21 ZINC000270005547 1127049413 /nfs/dbraw/zinc/04/94/13/1127049413.db2.gz ZOUJIDPVICIZII-GOSISDBHSA-N 2 1 283.419 3.557 20 0 CHADMP CCC(CC)C[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236566056 1130976166 /nfs/dbraw/zinc/97/61/66/1130976166.db2.gz APWYJURTGKEQDH-JCNLHEQBSA-N 2 1 266.473 3.937 20 0 CHADMP CCCC[C@H](CC)C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236635004 1130986501 /nfs/dbraw/zinc/98/65/01/1130986501.db2.gz ZTJLVDVJBXQHQU-HNNXBMFYSA-N 2 1 266.473 3.809 20 0 CHADMP Cc1ccncc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000271463766 1127084169 /nfs/dbraw/zinc/08/41/69/1127084169.db2.gz QCKCUETUVYPKAL-WBVHZDCISA-N 2 1 289.467 3.553 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]C1(c2cccc(C)c2)CCC1 ZINC000646021832 1127116604 /nfs/dbraw/zinc/11/66/04/1127116604.db2.gz BTEVMKXYLACQCO-UHFFFAOYSA-N 2 1 297.446 3.949 20 0 CHADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc(Cl)cs1 ZINC000349373498 1127149071 /nfs/dbraw/zinc/14/90/71/1127149071.db2.gz WXTNDRMOXXPQKX-UHFFFAOYSA-N 2 1 274.861 3.565 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(Cl)cs1 ZINC000349373498 1127149072 /nfs/dbraw/zinc/14/90/72/1127149072.db2.gz WXTNDRMOXXPQKX-UHFFFAOYSA-N 2 1 274.861 3.565 20 0 CHADMP CC[NH+](CC)CCC[N@@H+]1Cc2cccc(C)c2CC1(C)C ZINC001307788938 1127174038 /nfs/dbraw/zinc/17/40/38/1127174038.db2.gz CVTBYVYCHSSJTJ-UHFFFAOYSA-N 2 1 288.479 3.864 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1Cc2cccc(C)c2CC1(C)C ZINC001307788938 1127174042 /nfs/dbraw/zinc/17/40/42/1127174042.db2.gz CVTBYVYCHSSJTJ-UHFFFAOYSA-N 2 1 288.479 3.864 20 0 CHADMP CC1(C)CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000157573518 1127185426 /nfs/dbraw/zinc/18/54/26/1127185426.db2.gz DRSPGFJXWDYWST-ARFHVFGLSA-N 2 1 264.457 3.562 20 0 CHADMP Cc1c(C[NH3+])cccc1-c1cccc(C[N@H+](C)C2CC2)c1 ZINC000665147214 1127192481 /nfs/dbraw/zinc/19/24/81/1127192481.db2.gz GLILNVYMJZLOSO-UHFFFAOYSA-N 2 1 280.415 3.715 20 0 CHADMP Cc1sccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000351813361 1127209917 /nfs/dbraw/zinc/20/99/17/1127209917.db2.gz QZZFOUCGPNQHND-WBVHZDCISA-N 2 1 290.476 3.505 20 0 CHADMP Cc1sccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000351813361 1127209920 /nfs/dbraw/zinc/20/99/20/1127209920.db2.gz QZZFOUCGPNQHND-WBVHZDCISA-N 2 1 290.476 3.505 20 0 CHADMP CC[N@@H+](Cc1cccc(F)c1)C1CC[NH+](CC2CC2)CC1 ZINC001168387597 1127214496 /nfs/dbraw/zinc/21/44/96/1127214496.db2.gz LXBKYXWFSHGKSJ-UHFFFAOYSA-N 2 1 290.426 3.522 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c(C)c1 ZINC000352338197 1127225272 /nfs/dbraw/zinc/22/52/72/1127225272.db2.gz PLJDBKCKAVMUHT-INIZCTEOSA-N 2 1 283.419 3.715 20 0 CHADMP Cc1ccnc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000285472527 1127230138 /nfs/dbraw/zinc/23/01/38/1127230138.db2.gz AXWCMCKSJQGELK-IAGOWNOFSA-N 2 1 289.467 3.695 20 0 CHADMP CCc1oc2ccccc2c1CN1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000352932471 1127252062 /nfs/dbraw/zinc/25/20/62/1127252062.db2.gz PWWCSUZLTDKDGO-YOEHRIQHSA-N 2 1 298.430 3.521 20 0 CHADMP CCc1oc2ccccc2c1CN1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000352932471 1127252063 /nfs/dbraw/zinc/25/20/63/1127252063.db2.gz PWWCSUZLTDKDGO-YOEHRIQHSA-N 2 1 298.430 3.521 20 0 CHADMP Cc1cccc(CC[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000295078770 1129217995 /nfs/dbraw/zinc/21/79/95/1129217995.db2.gz RSLFWOAVCRYIQQ-UXDRXVOSSA-N 2 1 286.463 3.531 20 0 CHADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000510740655 1127271219 /nfs/dbraw/zinc/27/12/19/1127271219.db2.gz VRHSBZADGVKLSU-UONOGXRCSA-N 2 1 298.421 3.606 20 0 CHADMP CCc1cccc(Cl)c1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000573101959 1127294118 /nfs/dbraw/zinc/29/41/18/1127294118.db2.gz ZZVMOZVSQNHBEQ-CQSZACIVSA-N 2 1 294.870 3.722 20 0 CHADMP CCc1cccc(Cl)c1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000573101959 1127294120 /nfs/dbraw/zinc/29/41/20/1127294120.db2.gz ZZVMOZVSQNHBEQ-CQSZACIVSA-N 2 1 294.870 3.722 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(F)c2ccccc21 ZINC000287283834 1127299459 /nfs/dbraw/zinc/29/94/59/1127299459.db2.gz JRMJAOHOCZWJLO-ZDUSSCGKSA-N 2 1 286.394 3.724 20 0 CHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000355581841 1127350321 /nfs/dbraw/zinc/35/03/21/1127350321.db2.gz IWGJYCFMYLZFHZ-QGZVFWFLSA-N 2 1 298.434 3.586 20 0 CHADMP CC[C@@H](CN[C@@H](C)c1ccccc1C)[NH+]1CCCC1 ZINC000480791179 1127382345 /nfs/dbraw/zinc/38/23/45/1127382345.db2.gz ZSSKEXGZKDXIMM-HOTGVXAUSA-N 2 1 260.425 3.520 20 0 CHADMP CC[C@@H](C[NH2+][C@@H](C)c1ccccc1C)[NH+]1CCCC1 ZINC000480791179 1127382348 /nfs/dbraw/zinc/38/23/48/1127382348.db2.gz ZSSKEXGZKDXIMM-HOTGVXAUSA-N 2 1 260.425 3.520 20 0 CHADMP CC[N@@H+](CCC[NH2+][C@@H]1CC[C@H]1SC)C1CCCCC1 ZINC000593660890 1127393857 /nfs/dbraw/zinc/39/38/57/1127393857.db2.gz PJHYFHQVPXTMOJ-HZPDHXFCSA-N 2 1 284.513 3.515 20 0 CHADMP CCC1(C)CCC([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)CC1 ZINC000358088375 1127402042 /nfs/dbraw/zinc/40/20/42/1127402042.db2.gz AOTBNPLKIXQYMG-ODIFPOPNSA-N 2 1 277.456 3.776 20 0 CHADMP c1ccc(CC2(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)cc1 ZINC000358282135 1127412723 /nfs/dbraw/zinc/41/27/23/1127412723.db2.gz BHGOVFZRWALYQI-OALUTQOASA-N 2 1 298.474 3.616 20 0 CHADMP Cc1ncsc1C[NH2+]C(C)(C)CC[NH+]1CCCCCC1 ZINC000359139916 1127451207 /nfs/dbraw/zinc/45/12/07/1127451207.db2.gz JOOAKNAQMPXZMT-UHFFFAOYSA-N 2 1 295.496 3.586 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000359230880 1127454443 /nfs/dbraw/zinc/45/44/43/1127454443.db2.gz ZAZSTYLUHHMKEM-SFHVURJKSA-N 2 1 272.436 3.522 20 0 CHADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359227431 1127454820 /nfs/dbraw/zinc/45/48/20/1127454820.db2.gz WHXNFFHVQNXBRF-FUHWJXTLSA-N 2 1 286.463 3.563 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCCc3ccccc32)C1 ZINC000360233680 1127493555 /nfs/dbraw/zinc/49/35/55/1127493555.db2.gz JHDJXUCXYBQPQT-LPHOPBHVSA-N 2 1 286.463 3.776 20 0 CHADMP CC[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cc(Cl)ccc1OC ZINC000360858991 1127515877 /nfs/dbraw/zinc/51/58/77/1127515877.db2.gz MNQJOUWNOCSTFO-SWLSCSKDSA-N 2 1 298.858 3.730 20 0 CHADMP C[N@H+](CCNc1cc[nH+]c2ccsc21)Cc1ccccc1 ZINC000360963838 1127523625 /nfs/dbraw/zinc/52/36/25/1127523625.db2.gz HBVMOBOZRCZQOX-UHFFFAOYSA-N 2 1 297.427 3.840 20 0 CHADMP C[N@@H+](CCNc1cc[nH+]c2ccsc21)Cc1ccccc1 ZINC000360963838 1127523629 /nfs/dbraw/zinc/52/36/29/1127523629.db2.gz HBVMOBOZRCZQOX-UHFFFAOYSA-N 2 1 297.427 3.840 20 0 CHADMP c1cc(C2CCC2)ccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000294117962 1127549940 /nfs/dbraw/zinc/54/99/40/1127549940.db2.gz NFHOSZIJRQNOIU-INIZCTEOSA-N 2 1 284.447 3.528 20 0 CHADMP CN(CC[C@@H]1CCCC[N@H+]1C)c1cc[nH+]c2ccccc21 ZINC000361299216 1127554644 /nfs/dbraw/zinc/55/46/44/1127554644.db2.gz LZCZRSIQFPEGIW-HNNXBMFYSA-N 2 1 283.419 3.545 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000361544855 1127571058 /nfs/dbraw/zinc/57/10/58/1127571058.db2.gz XHQNHUPOWYVQRU-INIZCTEOSA-N 2 1 277.456 3.730 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000361544855 1127571060 /nfs/dbraw/zinc/57/10/60/1127571060.db2.gz XHQNHUPOWYVQRU-INIZCTEOSA-N 2 1 277.456 3.730 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000295967611 1129220458 /nfs/dbraw/zinc/22/04/58/1129220458.db2.gz NNYMIAUPKPIWCD-RLAWYHOSSA-N 2 1 278.465 3.586 20 0 CHADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(Cl)c1 ZINC000294942036 1127609955 /nfs/dbraw/zinc/60/99/55/1127609955.db2.gz GYYYGBGERDXABO-RJCAOGMDSA-N 2 1 292.854 3.658 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C1CCC2(CC2)CC1 ZINC000362918191 1127654196 /nfs/dbraw/zinc/65/41/96/1127654196.db2.gz MGRYQPBXWKCLBI-INIZCTEOSA-N 2 1 278.484 3.953 20 0 CHADMP Cc1cccc(C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CC2)c1 ZINC000295820834 1127654223 /nfs/dbraw/zinc/65/42/23/1127654223.db2.gz BTGMMGFZIXOLCT-RAFMOHDBSA-N 2 1 298.474 3.531 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000295863521 1127655657 /nfs/dbraw/zinc/65/56/57/1127655657.db2.gz BPVUVCBFCGEIHK-NXWXRZEISA-N 2 1 286.463 3.643 20 0 CHADMP Cc1ccccc1C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000296327648 1127668738 /nfs/dbraw/zinc/66/87/38/1127668738.db2.gz HDKFAWQDHYJROD-RAFMOHDBSA-N 2 1 298.474 3.531 20 0 CHADMP CCC1([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000296672938 1127680719 /nfs/dbraw/zinc/68/07/19/1127680719.db2.gz KUTFKZJUBBWTRP-WBVHZDCISA-N 2 1 272.436 3.572 20 0 CHADMP CCC1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000296672938 1127680721 /nfs/dbraw/zinc/68/07/21/1127680721.db2.gz KUTFKZJUBBWTRP-WBVHZDCISA-N 2 1 272.436 3.572 20 0 CHADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H]1c1ccccc1 ZINC000364071034 1127690064 /nfs/dbraw/zinc/69/00/64/1127690064.db2.gz DMTJBAVXCCKSOG-NCXUSEDFSA-N 2 1 298.474 3.785 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1ccsc1 ZINC000297645644 1127703528 /nfs/dbraw/zinc/70/35/28/1127703528.db2.gz JXTVZHRFDSSKNA-GDBMZVCRSA-N 2 1 280.481 3.909 20 0 CHADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(C(F)(F)F)cc1 ZINC000061627540 1127708609 /nfs/dbraw/zinc/70/86/09/1127708609.db2.gz WBDNWFSFTRXYQM-GOOCMWNKSA-N 2 1 298.352 3.550 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cs1 ZINC000297928843 1127711508 /nfs/dbraw/zinc/71/15/08/1127711508.db2.gz XLTTVPNZZLNQDA-AAEUAGOBSA-N 2 1 277.437 3.548 20 0 CHADMP CC(C)[C@@H](C)[NH+](C)C[C@H](C)C[N@H+](C)[C@@H](C)C(C)C ZINC000605573498 1127743064 /nfs/dbraw/zinc/74/30/64/1127743064.db2.gz XBHCDFOYXCCHFC-MUJYYYPQSA-N 2 1 256.478 3.575 20 0 CHADMP CC(C)[C@@H](C)[N@@H+](C)C[C@H](C)C[NH+](C)[C@@H](C)C(C)C ZINC000605573498 1127743066 /nfs/dbraw/zinc/74/30/66/1127743066.db2.gz XBHCDFOYXCCHFC-MUJYYYPQSA-N 2 1 256.478 3.575 20 0 CHADMP CC(C)[C@@H](C)[N@H+](C)C[C@H](C)C[NH+](C)[C@@H](C)C(C)C ZINC000605573498 1127743069 /nfs/dbraw/zinc/74/30/69/1127743069.db2.gz XBHCDFOYXCCHFC-MUJYYYPQSA-N 2 1 256.478 3.575 20 0 CHADMP C[C@@H](CCc1ccccc1)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000368612397 1127758719 /nfs/dbraw/zinc/75/87/19/1127758719.db2.gz KLEGCTCTNMVBQP-KRWDZBQOSA-N 2 1 286.463 3.568 20 0 CHADMP Cc1cccc([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000373519745 1127848705 /nfs/dbraw/zinc/84/87/05/1127848705.db2.gz GLKBYMZOIQYRSV-FAEJEUNOSA-N 2 1 272.436 3.663 20 0 CHADMP CN(C/C=C/c1ccccc1)CC[C@H]1CCCC[N@H+]1C ZINC000608500872 1127871303 /nfs/dbraw/zinc/87/13/03/1127871303.db2.gz QQGMZKSWCAODJJ-VEGGFIAOSA-N 2 1 272.436 3.506 20 0 CHADMP C[N@@H+](C/C=C/c1ccccc1)CC[C@H]1CCCC[NH+]1C ZINC000608500872 1127871307 /nfs/dbraw/zinc/87/13/07/1127871307.db2.gz QQGMZKSWCAODJJ-VEGGFIAOSA-N 2 1 272.436 3.506 20 0 CHADMP C[N@H+](C/C=C/c1ccccc1)CC[C@H]1CCCC[NH+]1C ZINC000608500872 1127871311 /nfs/dbraw/zinc/87/13/11/1127871311.db2.gz QQGMZKSWCAODJJ-VEGGFIAOSA-N 2 1 272.436 3.506 20 0 CHADMP C[NH+](C/C=C/c1ccccc1)CC[C@H]1CCCC[N@@H+]1C ZINC000608500872 1127871316 /nfs/dbraw/zinc/87/13/16/1127871316.db2.gz QQGMZKSWCAODJJ-VEGGFIAOSA-N 2 1 272.436 3.506 20 0 CHADMP C[NH+](C/C=C/c1ccccc1)CC[C@H]1CCCC[N@H+]1C ZINC000608500872 1127871319 /nfs/dbraw/zinc/87/13/19/1127871319.db2.gz QQGMZKSWCAODJJ-VEGGFIAOSA-N 2 1 272.436 3.506 20 0 CHADMP CC(C[NH+]1C[C@H](C)CC[C@@H]1C)C[N@H+]1C[C@H](C)CC[C@@H]1C ZINC000608578141 1127878959 /nfs/dbraw/zinc/87/89/59/1127878959.db2.gz RVCDRMQGJOEAHB-LMSBXDPUSA-N 2 1 280.500 3.863 20 0 CHADMP C[C@H](CC1CCCCC1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623509637 1127915781 /nfs/dbraw/zinc/91/57/81/1127915781.db2.gz LEUYBAFIKPRFRI-ZBFHGGJFSA-N 2 1 266.473 3.808 20 0 CHADMP Cc1cccc([C@@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)c1C ZINC000535471143 1127916773 /nfs/dbraw/zinc/91/67/73/1127916773.db2.gz XLIQGRFLKOBHJW-MJGOQNOKSA-N 2 1 286.463 3.925 20 0 CHADMP Cc1cccc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)c1C ZINC000535471143 1127916776 /nfs/dbraw/zinc/91/67/76/1127916776.db2.gz XLIQGRFLKOBHJW-MJGOQNOKSA-N 2 1 286.463 3.925 20 0 CHADMP Cc1cccc([C@@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)c1C ZINC000535471143 1127916781 /nfs/dbraw/zinc/91/67/81/1127916781.db2.gz XLIQGRFLKOBHJW-MJGOQNOKSA-N 2 1 286.463 3.925 20 0 CHADMP CC(C)(C[NH2+]C[C@H]1C[C@@H]1c1ccccc1)[NH+]1CCCCC1 ZINC000539406193 1127921454 /nfs/dbraw/zinc/92/14/54/1127921454.db2.gz ZUYCAENRFXVKEL-QZTJIDSGSA-N 2 1 286.463 3.644 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2C(C)(C)C)CC1(C)C ZINC000623551409 1127936514 /nfs/dbraw/zinc/93/65/14/1127936514.db2.gz XNBLCVFGWVETBV-RRFJBIMHSA-N 2 1 266.473 3.664 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(C)C)cc2)C1 ZINC000539820447 1127943605 /nfs/dbraw/zinc/94/36/05/1127943605.db2.gz KDUOJBNIOROIAY-GOSISDBHSA-N 2 1 288.479 3.974 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2)C1 ZINC000539820447 1127943609 /nfs/dbraw/zinc/94/36/09/1127943609.db2.gz KDUOJBNIOROIAY-GOSISDBHSA-N 2 1 288.479 3.974 20 0 CHADMP CC[C@H](C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1)c1ccccc1 ZINC000539836829 1127945874 /nfs/dbraw/zinc/94/58/74/1127945874.db2.gz INUKJTZWUVMHEM-SCTDSRPQSA-N 2 1 288.479 3.985 20 0 CHADMP CC[C@H](C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1)c1ccccc1 ZINC000539836829 1127945877 /nfs/dbraw/zinc/94/58/77/1127945877.db2.gz INUKJTZWUVMHEM-SCTDSRPQSA-N 2 1 288.479 3.985 20 0 CHADMP CC[C@H](C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1)c1ccccc1 ZINC000539836829 1127945879 /nfs/dbraw/zinc/94/58/79/1127945879.db2.gz INUKJTZWUVMHEM-SCTDSRPQSA-N 2 1 288.479 3.985 20 0 CHADMP CC[C@H](C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1)c1ccccc1 ZINC000539836831 1127946334 /nfs/dbraw/zinc/94/63/34/1127946334.db2.gz INUKJTZWUVMHEM-ZHALLVOQSA-N 2 1 288.479 3.985 20 0 CHADMP CC[C@H](C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1)c1ccccc1 ZINC000539836831 1127946336 /nfs/dbraw/zinc/94/63/36/1127946336.db2.gz INUKJTZWUVMHEM-ZHALLVOQSA-N 2 1 288.479 3.985 20 0 CHADMP CC[C@H](C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1)c1ccccc1 ZINC000539836831 1127946337 /nfs/dbraw/zinc/94/63/37/1127946337.db2.gz INUKJTZWUVMHEM-ZHALLVOQSA-N 2 1 288.479 3.985 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(C)c(C)cc2C)C1 ZINC000539849456 1127947397 /nfs/dbraw/zinc/94/73/97/1127947397.db2.gz HCKMNPSEHDHLJE-SFHVURJKSA-N 2 1 288.479 3.776 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)c1 ZINC000539896583 1127952150 /nfs/dbraw/zinc/95/21/50/1127952150.db2.gz MBNDABLRDJELGR-QUCCMNQESA-N 2 1 298.474 3.752 20 0 CHADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000540052441 1127958888 /nfs/dbraw/zinc/95/88/88/1127958888.db2.gz DKVGALRZCHSZPU-DFEOGRTESA-N 2 1 290.495 3.761 20 0 CHADMP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](C2CCCC2)CC3)cc1 ZINC000540100436 1127961276 /nfs/dbraw/zinc/96/12/76/1127961276.db2.gz YXEDGZXVVRCEDT-UHFFFAOYSA-N 2 1 298.474 3.917 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000540141931 1127962783 /nfs/dbraw/zinc/96/27/83/1127962783.db2.gz LFBUVDTZGUGQHJ-SOLBZPMBSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2cccc3nccn32)[C@@H]2CCCC[C@H]12 ZINC000540507847 1127981321 /nfs/dbraw/zinc/98/13/21/1127981321.db2.gz PXRMFPNCHVUZSR-DJIMGWMZSA-N 2 1 283.419 3.735 20 0 CHADMP C[C@@H]1CCN(Cc2cccc3nccn32)[C@@H]2CCCC[C@H]12 ZINC000540507847 1127981325 /nfs/dbraw/zinc/98/13/25/1127981325.db2.gz PXRMFPNCHVUZSR-DJIMGWMZSA-N 2 1 283.419 3.735 20 0 CHADMP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000300326939 1127998526 /nfs/dbraw/zinc/99/85/26/1127998526.db2.gz ITPKZSZPYZOKTL-XLAORIBOSA-N 2 1 278.484 3.808 20 0 CHADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000300330044 1127998700 /nfs/dbraw/zinc/99/87/00/1127998700.db2.gz XJNKWYXIMZNOQY-GVDBMIGSSA-N 2 1 278.484 3.665 20 0 CHADMP CC[C@H](C)[N@H+](C)CC[NH2+]CC[C@H](C)c1ccccc1 ZINC000300424645 1128000578 /nfs/dbraw/zinc/00/05/78/1128000578.db2.gz YXMYKVDVHAMDMD-HOTGVXAUSA-N 2 1 262.441 3.500 20 0 CHADMP CC[C@H](C)[N@@H+](C)CC[NH2+]CC[C@H](C)c1ccccc1 ZINC000300424645 1128000582 /nfs/dbraw/zinc/00/05/82/1128000582.db2.gz YXMYKVDVHAMDMD-HOTGVXAUSA-N 2 1 262.441 3.500 20 0 CHADMP CCC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CCCCC1 ZINC000545161388 1128002726 /nfs/dbraw/zinc/00/27/26/1128002726.db2.gz UFEANKWQEGVBOQ-BZUAXINKSA-N 2 1 266.473 3.665 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCC2CCCC2)[C@H](C)C1 ZINC000469281050 1128039837 /nfs/dbraw/zinc/03/98/37/1128039837.db2.gz QGDZSUQDPHPUBU-NVXWUHKLSA-N 2 1 266.473 3.667 20 0 CHADMP CCC[C@H](C[N@H+]1CCC[C@@H](C[NH2+]C)C1)c1ccccc1 ZINC000470000657 1128061027 /nfs/dbraw/zinc/06/10/27/1128061027.db2.gz UDJBBMPAARLHCF-FUHWJXTLSA-N 2 1 274.452 3.502 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000557262201 1128097217 /nfs/dbraw/zinc/09/72/17/1128097217.db2.gz JTKHDKSJRWKLMX-HYVNUMGLSA-N 2 1 277.456 3.632 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000557262190 1128097275 /nfs/dbraw/zinc/09/72/75/1128097275.db2.gz JTKHDKSJRWKLMX-DJIMGWMZSA-N 2 1 277.456 3.632 20 0 CHADMP C[NH+](C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)C1CCCCC1 ZINC000924693886 1128109569 /nfs/dbraw/zinc/10/95/69/1128109569.db2.gz ILVLEQBQPDPIRD-HMQMGEFJSA-N 2 1 296.524 3.513 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1csc2ccccc12 ZINC000925815291 1128142933 /nfs/dbraw/zinc/14/29/33/1128142933.db2.gz VVIAQBQEWCTNGO-CHWSQXEVSA-N 2 1 297.427 3.763 20 0 CHADMP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1csc(Cl)c1 ZINC000925841535 1128143972 /nfs/dbraw/zinc/14/39/72/1128143972.db2.gz PVQAVJMINFVXHC-MPKXVKKWSA-N 2 1 284.856 3.584 20 0 CHADMP CCC1([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000926508812 1128176968 /nfs/dbraw/zinc/17/69/68/1128176968.db2.gz JODXHSWALFZTFE-FUHWJXTLSA-N 2 1 284.447 3.887 20 0 CHADMP CCC1([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000926508812 1128176969 /nfs/dbraw/zinc/17/69/69/1128176969.db2.gz JODXHSWALFZTFE-FUHWJXTLSA-N 2 1 284.447 3.887 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000494884347 1128208600 /nfs/dbraw/zinc/20/86/00/1128208600.db2.gz XRYGYNHNJKGSCO-RVKKMQEKSA-N 2 1 274.452 3.661 20 0 CHADMP C[C@@H](Cc1cccc(F)c1)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001168473323 1128208699 /nfs/dbraw/zinc/20/86/99/1128208699.db2.gz CNKKYABTYDWRCT-HOTGVXAUSA-N 2 1 292.442 3.598 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000322255301 1128341607 /nfs/dbraw/zinc/34/16/07/1128341607.db2.gz FISVLDNWGHWKRU-IEBWSBKVSA-N 2 1 286.463 3.677 20 0 CHADMP CCCC[N@@H+](CCCCCO)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034269 1128344741 /nfs/dbraw/zinc/34/47/41/1128344741.db2.gz YDEBYMDQVFXLJO-UHFFFAOYSA-N 2 1 298.515 3.560 20 0 CHADMP CCCc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000037140940 1128418354 /nfs/dbraw/zinc/41/83/54/1128418354.db2.gz XGSLHKULZNEQSP-HNNXBMFYSA-N 2 1 286.463 3.917 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000562017928 1128371270 /nfs/dbraw/zinc/37/12/70/1128371270.db2.gz MGZRLPCUOFTNIO-CIRFHOKZSA-N 2 1 278.484 3.523 20 0 CHADMP CC[C@@H]1CC[C@@H]1[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000562017466 1128371336 /nfs/dbraw/zinc/37/13/36/1128371336.db2.gz DISBNTGBRDDTIJ-TWMKSMIVSA-N 2 1 266.473 3.523 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@H]2C(C)(C)C)C1 ZINC000562078083 1128376272 /nfs/dbraw/zinc/37/62/72/1128376272.db2.gz RSWQIKPZCNPUCU-ZACQAIPSSA-N 2 1 280.500 3.769 20 0 CHADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C)cc1 ZINC000562090617 1128378675 /nfs/dbraw/zinc/37/86/75/1128378675.db2.gz CMDLILGKGUNUHT-HRCADAONSA-N 2 1 292.467 3.506 20 0 CHADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000562090617 1128378680 /nfs/dbraw/zinc/37/86/80/1128378680.db2.gz CMDLILGKGUNUHT-HRCADAONSA-N 2 1 292.467 3.506 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CCC1 ZINC000398029778 1128392170 /nfs/dbraw/zinc/39/21/70/1128392170.db2.gz MWFUPUNZEXAWRI-JTDSTZFVSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CCC1 ZINC000398029778 1128392173 /nfs/dbraw/zinc/39/21/73/1128392173.db2.gz MWFUPUNZEXAWRI-JTDSTZFVSA-N 2 1 286.463 3.675 20 0 CHADMP CC(C)(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996421 1128404709 /nfs/dbraw/zinc/40/47/09/1128404709.db2.gz BQIOBZNJSWPFCJ-QZTJIDSGSA-N 2 1 286.463 3.701 20 0 CHADMP CC(C)(C)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996421 1128404711 /nfs/dbraw/zinc/40/47/11/1128404711.db2.gz BQIOBZNJSWPFCJ-QZTJIDSGSA-N 2 1 286.463 3.701 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000037644195 1128433867 /nfs/dbraw/zinc/43/38/67/1128433867.db2.gz ZZFBGADWBLBXJW-JKSUJKDBSA-N 2 1 286.463 3.558 20 0 CHADMP C[C@H](C[NH2+][C@@H](C)c1cc2ccccc2o1)C[NH+]1CCCC1 ZINC000062077145 1128435933 /nfs/dbraw/zinc/43/59/33/1128435933.db2.gz XJTJXVIIJYCCIE-CABCVRRESA-N 2 1 286.419 3.815 20 0 CHADMP c1ccc([C@@H]2CCCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC001205171752 1128436136 /nfs/dbraw/zinc/43/61/36/1128436136.db2.gz WXZQBPQSOXZUEO-WMZOPIPTSA-N 2 1 272.436 3.603 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001257463613 1128444358 /nfs/dbraw/zinc/44/43/58/1128444358.db2.gz OHJNIUBJPIGJQV-JYJNAYRXSA-N 2 1 254.462 3.665 20 0 CHADMP CCCc1ccc([C@H](C)[NH2+]C2CC[NH+](CC)CC2)cc1 ZINC000038097952 1128437936 /nfs/dbraw/zinc/43/79/36/1128437936.db2.gz AEOCSISXJDDASH-HNNXBMFYSA-N 2 1 274.452 3.774 20 0 CHADMP CCC[N@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000125423451 1128450216 /nfs/dbraw/zinc/45/02/16/1128450216.db2.gz YKSMRHCQUXENFY-UHFFFAOYSA-N 2 1 285.435 3.884 20 0 CHADMP CCC[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000125423451 1128450218 /nfs/dbraw/zinc/45/02/18/1128450218.db2.gz YKSMRHCQUXENFY-UHFFFAOYSA-N 2 1 285.435 3.884 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000125531868 1128451095 /nfs/dbraw/zinc/45/10/95/1128451095.db2.gz IJRDEHSOOLQGCZ-OIISXLGYSA-N 2 1 275.440 3.625 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000125531868 1128451096 /nfs/dbraw/zinc/45/10/96/1128451096.db2.gz IJRDEHSOOLQGCZ-OIISXLGYSA-N 2 1 275.440 3.625 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)o1 ZINC000126002272 1128460135 /nfs/dbraw/zinc/46/01/35/1128460135.db2.gz PLHZDDFPSDELBV-DZGCQCFKSA-N 2 1 266.429 3.605 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]C1(c2cccc(C)c2)CCCC1 ZINC000127429943 1128478161 /nfs/dbraw/zinc/47/81/61/1128478161.db2.gz SCQAFYZHDIINHW-UHFFFAOYSA-N 2 1 297.446 3.949 20 0 CHADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000563944477 1128486331 /nfs/dbraw/zinc/48/63/31/1128486331.db2.gz MNHHHTOBDQMRGV-GFCCVEGCSA-N 2 1 292.810 3.545 20 0 CHADMP CC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000128075371 1128486648 /nfs/dbraw/zinc/48/66/48/1128486648.db2.gz ACITXVRDGWEADH-HKUYNNGSSA-N 2 1 286.463 3.819 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2-c2ccccc2)C1 ZINC000917395366 1128497306 /nfs/dbraw/zinc/49/73/06/1128497306.db2.gz JGZTYVHKGQOJOZ-QGZVFWFLSA-N 2 1 294.442 3.785 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1C[C@H]2[C@H](C1)CCCN2C ZINC001257484812 1128502895 /nfs/dbraw/zinc/50/28/95/1128502895.db2.gz DZVYUAZLJVBWKD-QAETUUGQSA-N 2 1 266.473 3.617 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC2(C)C)C[C@@H]1c1ccccc1 ZINC000556192826 1128561638 /nfs/dbraw/zinc/56/16/38/1128561638.db2.gz AODOKZUTHIFTFU-GVDBMIGSSA-N 2 1 272.436 3.600 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC2(C)C)C[C@@H]1c1ccccc1 ZINC000556192826 1128561641 /nfs/dbraw/zinc/56/16/41/1128561641.db2.gz AODOKZUTHIFTFU-GVDBMIGSSA-N 2 1 272.436 3.600 20 0 CHADMP C1CCC2(C1)CCC([NH2+][C@@H]1CC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000129281165 1128535713 /nfs/dbraw/zinc/53/57/13/1128535713.db2.gz PNKAAPCYPRWYPK-SJORKVTESA-N 2 1 276.468 3.706 20 0 CHADMP C1CCC2(C1)CCC([NH2+][C@@H]1CC[N@H+]3CCCC[C@@H]13)CC2 ZINC000129281165 1128535715 /nfs/dbraw/zinc/53/57/15/1128535715.db2.gz PNKAAPCYPRWYPK-SJORKVTESA-N 2 1 276.468 3.706 20 0 CHADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000556179092 1128560201 /nfs/dbraw/zinc/56/02/01/1128560201.db2.gz NYWRGOIPZZYMRT-YSHGAJCASA-N 2 1 286.463 3.848 20 0 CHADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000556179092 1128560204 /nfs/dbraw/zinc/56/02/04/1128560204.db2.gz NYWRGOIPZZYMRT-YSHGAJCASA-N 2 1 286.463 3.848 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC23CCCC3)C[C@H]1c1ccccc1 ZINC000556177847 1128560381 /nfs/dbraw/zinc/56/03/81/1128560381.db2.gz OUIKQAGVLJUXLC-BZSNNMDCSA-N 2 1 284.447 3.744 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CC23CCCC3)C[C@H]1c1ccccc1 ZINC000556177847 1128560382 /nfs/dbraw/zinc/56/03/82/1128560382.db2.gz OUIKQAGVLJUXLC-BZSNNMDCSA-N 2 1 284.447 3.744 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]CC(C2CC2)C2CC2)C[C@H]1c1ccccc1 ZINC000556093366 1128545422 /nfs/dbraw/zinc/54/54/22/1128545422.db2.gz JNIFXJWIMOEKQY-QUCCMNQESA-N 2 1 298.474 3.848 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CC(C2CC2)C2CC2)C[C@H]1c1ccccc1 ZINC000556093366 1128545424 /nfs/dbraw/zinc/54/54/24/1128545424.db2.gz JNIFXJWIMOEKQY-QUCCMNQESA-N 2 1 298.474 3.848 20 0 CHADMP CCCC[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000566525299 1128545945 /nfs/dbraw/zinc/54/59/45/1128545945.db2.gz LRENMDKWOHGARE-DLBZAZTESA-N 2 1 298.515 3.680 20 0 CHADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1cccc(C2CC2)c1 ZINC000566686452 1128549487 /nfs/dbraw/zinc/54/94/87/1128549487.db2.gz BOWNTTFKHJKKIT-AWEZNQCLSA-N 2 1 283.419 3.581 20 0 CHADMP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000566729360 1128550578 /nfs/dbraw/zinc/55/05/78/1128550578.db2.gz JFEQGEXBOAFDAT-SOUVJXGZSA-N 2 1 265.445 3.632 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](C)c2cc3c(s2)CCCC3)CC1 ZINC000129756239 1128556382 /nfs/dbraw/zinc/55/63/82/1128556382.db2.gz OURZVSWSOOUDPC-CYBMUJFWSA-N 2 1 292.492 3.762 20 0 CHADMP CC(C)C1([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000556234410 1128566099 /nfs/dbraw/zinc/56/60/99/1128566099.db2.gz XFTSLKLWWYRKDW-IAGOWNOFSA-N 2 1 272.436 3.600 20 0 CHADMP CC(C)C1([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000556234410 1128566101 /nfs/dbraw/zinc/56/61/01/1128566101.db2.gz XFTSLKLWWYRKDW-IAGOWNOFSA-N 2 1 272.436 3.600 20 0 CHADMP Clc1ccc2c(c1)CC[C@@H]2N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000130110655 1128566178 /nfs/dbraw/zinc/56/61/78/1128566178.db2.gz DVASDGPRIGEZMZ-YESZJQIVSA-N 2 1 290.838 3.544 20 0 CHADMP Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000130110655 1128566181 /nfs/dbraw/zinc/56/61/81/1128566181.db2.gz DVASDGPRIGEZMZ-YESZJQIVSA-N 2 1 290.838 3.544 20 0 CHADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCCc1cccc2ccccc21 ZINC000568162214 1128578457 /nfs/dbraw/zinc/57/84/57/1128578457.db2.gz RCNPFUPCXVOFCL-MAUKXSAKSA-N 2 1 282.431 3.584 20 0 CHADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCCc1cccc2ccccc21 ZINC000568162215 1128578867 /nfs/dbraw/zinc/57/88/67/1128578867.db2.gz RCNPFUPCXVOFCL-QAPCUYQASA-N 2 1 282.431 3.584 20 0 CHADMP CC[C@@H]1CCC[C@H]([NH2+]CC[NH+](C(C)C)C(C)C)C1 ZINC000071104559 1128583612 /nfs/dbraw/zinc/58/36/12/1128583612.db2.gz LETLOWANXVAFTC-CVEARBPZSA-N 2 1 254.462 3.664 20 0 CHADMP C[C@@H]1C[C@@H](N[C@H]2C[C@H](C)Sc3sccc32)CC[N@H+]1C ZINC000130602409 1128588825 /nfs/dbraw/zinc/58/88/25/1128588825.db2.gz ALAWLRDDXMDGNT-UHXUPSOCSA-N 2 1 296.505 3.746 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](C)Sc3sccc32)CCN1C ZINC000130602409 1128588827 /nfs/dbraw/zinc/58/88/27/1128588827.db2.gz ALAWLRDDXMDGNT-UHXUPSOCSA-N 2 1 296.505 3.746 20 0 CHADMP Cc1ccc(CC[C@@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C)cc1 ZINC000568685582 1128590010 /nfs/dbraw/zinc/59/00/10/1128590010.db2.gz AFBRYMVWTSJQBC-SJORKVTESA-N 2 1 276.468 3.634 20 0 CHADMP Cc1ccc(CC[C@@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000568685582 1128590012 /nfs/dbraw/zinc/59/00/12/1128590012.db2.gz AFBRYMVWTSJQBC-SJORKVTESA-N 2 1 276.468 3.634 20 0 CHADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2F)CC1 ZINC000569024435 1128596758 /nfs/dbraw/zinc/59/67/58/1128596758.db2.gz IYSZEZXZYGBLJS-QMCVQRASSA-N 2 1 282.447 3.510 20 0 CHADMP Cc1nccn1CCC[N@H+](C)[C@H](C)CCc1ccccc1 ZINC000556618678 1128610364 /nfs/dbraw/zinc/61/03/64/1128610364.db2.gz DRGWLLMFZRUQQS-MRXNPFEDSA-N 2 1 285.435 3.535 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)CCc1ccccc1 ZINC000556618678 1128610368 /nfs/dbraw/zinc/61/03/68/1128610368.db2.gz DRGWLLMFZRUQQS-MRXNPFEDSA-N 2 1 285.435 3.535 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)CCc1ccccc1 ZINC000556618678 1128610370 /nfs/dbraw/zinc/61/03/70/1128610370.db2.gz DRGWLLMFZRUQQS-MRXNPFEDSA-N 2 1 285.435 3.535 20 0 CHADMP CC[C@@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000570384604 1128622741 /nfs/dbraw/zinc/62/27/41/1128622741.db2.gz UCBHBBGZSVZKGU-PKOBYXMFSA-N 2 1 286.463 3.598 20 0 CHADMP CC[C@@H](C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000570384604 1128622742 /nfs/dbraw/zinc/62/27/42/1128622742.db2.gz UCBHBBGZSVZKGU-PKOBYXMFSA-N 2 1 286.463 3.598 20 0 CHADMP CC[C@@H](C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000570384604 1128622744 /nfs/dbraw/zinc/62/27/44/1128622744.db2.gz UCBHBBGZSVZKGU-PKOBYXMFSA-N 2 1 286.463 3.598 20 0 CHADMP Cc1c(C)c(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])ccc1Cl ZINC001236219910 1128623580 /nfs/dbraw/zinc/62/35/80/1128623580.db2.gz YGYKPQGXVJSDDC-HZPDHXFCSA-N 2 1 280.843 3.659 20 0 CHADMP Cc1c(C)c(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])ccc1Cl ZINC001236219910 1128623583 /nfs/dbraw/zinc/62/35/83/1128623583.db2.gz YGYKPQGXVJSDDC-HZPDHXFCSA-N 2 1 280.843 3.659 20 0 CHADMP CC1=CC[C@H]([NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000556833707 1128627998 /nfs/dbraw/zinc/62/79/98/1128627998.db2.gz JRNOJEPRZFYQFA-ULQDDVLXSA-N 2 1 276.468 3.728 20 0 CHADMP CC[C@H](C[N@@H+](CC)CC1CC[NH2+]CC1)c1ccccc1 ZINC000570682436 1128629821 /nfs/dbraw/zinc/62/98/21/1128629821.db2.gz FCIJKLDXIYLHCD-QGZVFWFLSA-N 2 1 274.452 3.502 20 0 CHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000556890249 1128636370 /nfs/dbraw/zinc/63/63/70/1128636370.db2.gz VPYOLFIHFYAQCN-DYVFJYSZSA-N 2 1 292.854 3.649 20 0 CHADMP Cc1ccc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000572019759 1128640793 /nfs/dbraw/zinc/64/07/93/1128640793.db2.gz PNVBJWCYCOORSJ-NXWXRZEISA-N 2 1 286.463 3.561 20 0 CHADMP CC(C)c1ccc(CC[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000573249505 1128652791 /nfs/dbraw/zinc/65/27/91/1128652791.db2.gz MQUPFUCTWPYYQY-VQIMIIECSA-N 2 1 288.479 3.625 20 0 CHADMP CC(C)c1ccc(CC[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000573249505 1128652793 /nfs/dbraw/zinc/65/27/93/1128652793.db2.gz MQUPFUCTWPYYQY-VQIMIIECSA-N 2 1 288.479 3.625 20 0 CHADMP CC(C)c1ccc(CC[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000573249505 1128652796 /nfs/dbraw/zinc/65/27/96/1128652796.db2.gz MQUPFUCTWPYYQY-VQIMIIECSA-N 2 1 288.479 3.625 20 0 CHADMP CC(C)c1ccc(CC[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000573249505 1128652798 /nfs/dbraw/zinc/65/27/98/1128652798.db2.gz MQUPFUCTWPYYQY-VQIMIIECSA-N 2 1 288.479 3.625 20 0 CHADMP CC(C)C[NH+]1CCC([N@@H+]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC001258017141 1128673326 /nfs/dbraw/zinc/67/33/26/1128673326.db2.gz SUXLDOOSJMDCMD-SJORKVTESA-N 2 1 278.484 3.619 20 0 CHADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC001258017141 1128673328 /nfs/dbraw/zinc/67/33/28/1128673328.db2.gz SUXLDOOSJMDCMD-SJORKVTESA-N 2 1 278.484 3.619 20 0 CHADMP CC(C)C[C@@H](C)C[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001258052719 1128702886 /nfs/dbraw/zinc/70/28/86/1128702886.db2.gz RSIZCMVTOYCAKK-BPKGMFCQSA-N 2 1 266.473 3.662 20 0 CHADMP Cc1ccc(CC[C@H](C)[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000578370008 1128716000 /nfs/dbraw/zinc/71/60/00/1128716000.db2.gz MCWZKBPRVXWOSU-PKOBYXMFSA-N 2 1 288.479 3.636 20 0 CHADMP Cc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000578370005 1128716212 /nfs/dbraw/zinc/71/62/12/1128716212.db2.gz MCWZKBPRVXWOSU-HKUYNNGSSA-N 2 1 288.479 3.636 20 0 CHADMP Cc1cc([C@@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)s1 ZINC000135199148 1128716232 /nfs/dbraw/zinc/71/62/32/1128716232.db2.gz LBKPZSPCSLLRRF-BPLDGKMQSA-N 2 1 278.465 3.642 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](CCC(C)C)C(C)(C)C)C1 ZINC000578694298 1128726554 /nfs/dbraw/zinc/72/65/54/1128726554.db2.gz PPWBGRXSNNZARX-CVEARBPZSA-N 2 1 268.489 3.769 20 0 CHADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000578778423 1128729218 /nfs/dbraw/zinc/72/92/18/1128729218.db2.gz UXEWKHNXBSXXTQ-CQSZACIVSA-N 2 1 298.405 3.664 20 0 CHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H](CC2CC2)c2ccccc2)C1 ZINC000578858251 1128730873 /nfs/dbraw/zinc/73/08/73/1128730873.db2.gz OJBJXESTPAFUOI-MJGOQNOKSA-N 2 1 286.463 3.849 20 0 CHADMP Clc1ccccc1CNCc1ccc(-n2ccnc2)cc1 ZINC000034991200 1117755678 /nfs/dbraw/zinc/75/56/78/1117755678.db2.gz MNMCNHJUAHPZCI-UHFFFAOYSA-N 2 1 297.789 3.816 20 0 CHADMP Cc1cccc(C2([NH2+]CCCc3c[nH+]cn3C)CCCC2)c1 ZINC000578999983 1128735218 /nfs/dbraw/zinc/73/52/18/1128735218.db2.gz FWUSZBWRNLUGIQ-UHFFFAOYSA-N 2 1 297.446 3.720 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc2[nH]ccc2c1 ZINC000683142931 1117795597 /nfs/dbraw/zinc/79/55/97/1117795597.db2.gz ZZYCEBHOULAAIL-UHFFFAOYSA-N 2 1 287.451 3.722 20 0 CHADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001206767585 1117818226 /nfs/dbraw/zinc/81/82/26/1117818226.db2.gz CCTPNOYAXJPDSU-GDBMZVCRSA-N 2 1 274.452 3.543 20 0 CHADMP C[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C(C)(C)C ZINC000670265663 1117827993 /nfs/dbraw/zinc/82/79/93/1117827993.db2.gz PAEJAAUEDXDFKP-VYDXJSESSA-N 2 1 278.484 3.617 20 0 CHADMP C[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C(C)(C)C ZINC000670265663 1117827998 /nfs/dbraw/zinc/82/79/98/1117827998.db2.gz PAEJAAUEDXDFKP-VYDXJSESSA-N 2 1 278.484 3.617 20 0 CHADMP C[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C(C)(C)C ZINC000670265663 1117828004 /nfs/dbraw/zinc/82/80/04/1117828004.db2.gz PAEJAAUEDXDFKP-VYDXJSESSA-N 2 1 278.484 3.617 20 0 CHADMP Cc1cc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c(C)s1 ZINC000623347607 1117838858 /nfs/dbraw/zinc/83/88/58/1117838858.db2.gz FSWGCUWDIFEFGQ-TZMCWYRMSA-N 2 1 280.481 3.888 20 0 CHADMP CCOc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623384260 1117847497 /nfs/dbraw/zinc/84/74/97/1117847497.db2.gz UMPSILJXZTWFHR-HOCLYGCPSA-N 2 1 290.451 3.609 20 0 CHADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623400574 1117850871 /nfs/dbraw/zinc/85/08/71/1117850871.db2.gz YIEFEFZTRLCMSA-OWCLPIDISA-N 2 1 266.473 3.664 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+][C@H](c2ccccc2)C2CCC2)CC1(C)C ZINC000623401031 1117851693 /nfs/dbraw/zinc/85/16/93/1117851693.db2.gz OOMIRXQJZIKAQM-QZTJIDSGSA-N 2 1 286.463 3.990 20 0 CHADMP Cc1cccnc1[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623420404 1117853423 /nfs/dbraw/zinc/85/34/23/1117853423.db2.gz AUPAFFIBEWYFCC-HZPDHXFCSA-N 2 1 289.467 3.550 20 0 CHADMP Cc1cccnc1[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000623420404 1117853426 /nfs/dbraw/zinc/85/34/26/1117853426.db2.gz AUPAFFIBEWYFCC-HZPDHXFCSA-N 2 1 289.467 3.550 20 0 CHADMP Cc1cccc([C@@H](C)C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623429009 1117855469 /nfs/dbraw/zinc/85/54/69/1117855469.db2.gz IRPRGNUMQOGMCT-RDJZCZTQSA-N 2 1 274.452 3.561 20 0 CHADMP CCC(CC)(CC)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623446820 1117858527 /nfs/dbraw/zinc/85/85/27/1117858527.db2.gz SEXPVJKPABSUAW-CQSZACIVSA-N 2 1 254.462 3.665 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)CC1(C)C ZINC000623511347 1117863298 /nfs/dbraw/zinc/86/32/98/1117863298.db2.gz LPPNAIAGNXBPQB-DOTOQJQBSA-N 2 1 290.426 3.666 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1F ZINC000623560820 1117872512 /nfs/dbraw/zinc/87/25/12/1117872512.db2.gz UERUVPRVHUCRAH-CZUORRHYSA-N 2 1 278.415 3.739 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1F ZINC000623560820 1117872517 /nfs/dbraw/zinc/87/25/17/1117872517.db2.gz UERUVPRVHUCRAH-CZUORRHYSA-N 2 1 278.415 3.739 20 0 CHADMP Cc1cc(F)ccc1C[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623563067 1117872708 /nfs/dbraw/zinc/87/27/08/1117872708.db2.gz MQKOHFFAOIGPTD-PBHICJAKSA-N 2 1 292.442 3.528 20 0 CHADMP C[C@H](CCN[C@@H](C)c1ccoc1)[N@@H+](C)Cc1ccccc1 ZINC000178225074 1117890521 /nfs/dbraw/zinc/89/05/21/1117890521.db2.gz QUUFACQCGXVKLU-CVEARBPZSA-N 2 1 286.419 3.841 20 0 CHADMP CC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)C1CCCCC1 ZINC000178707798 1117895269 /nfs/dbraw/zinc/89/52/69/1117895269.db2.gz LNUMLWAUZFCTIX-WMLDXEAASA-N 2 1 277.456 3.776 20 0 CHADMP CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000579288066 1128743548 /nfs/dbraw/zinc/74/35/48/1128743548.db2.gz IDMDKTJQHXIGKQ-WZGPROSRSA-N 2 1 286.463 3.675 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC2(C(F)(F)F)CCCC2)CC1(C)C ZINC000623788343 1117932701 /nfs/dbraw/zinc/93/27/01/1117932701.db2.gz WXHWDIIAOKIIOQ-LBPRGKRZSA-N 2 1 292.389 3.572 20 0 CHADMP CC[C@H](N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(C)cc1 ZINC000036996955 1117954775 /nfs/dbraw/zinc/95/47/75/1117954775.db2.gz GVGDKBGKDXNZHU-OKZBNKHCSA-N 2 1 272.436 3.663 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(C)cc1 ZINC000036996955 1117954784 /nfs/dbraw/zinc/95/47/84/1117954784.db2.gz GVGDKBGKDXNZHU-OKZBNKHCSA-N 2 1 272.436 3.663 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(C)cc1 ZINC000036996955 1117954788 /nfs/dbraw/zinc/95/47/88/1117954788.db2.gz GVGDKBGKDXNZHU-OKZBNKHCSA-N 2 1 272.436 3.663 20 0 CHADMP CCc1ccc([C@H](CC)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000037140827 1117970244 /nfs/dbraw/zinc/97/02/44/1117970244.db2.gz ROUFAFTYKWTEHZ-IBGZPJMESA-N 2 1 286.463 3.917 20 0 CHADMP Cc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624120855 1117984902 /nfs/dbraw/zinc/98/49/02/1117984902.db2.gz IMCATEHOGOLJDT-MJGOQNOKSA-N 2 1 288.479 3.638 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc(F)ccc1F ZINC000624120595 1117985136 /nfs/dbraw/zinc/98/51/36/1117985136.db2.gz CDXOVPMSRGGRFL-GUYCJALGSA-N 2 1 296.405 3.737 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(F)ccc1F ZINC000624120595 1117985137 /nfs/dbraw/zinc/98/51/37/1117985137.db2.gz CDXOVPMSRGGRFL-GUYCJALGSA-N 2 1 296.405 3.737 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624120218 1117986405 /nfs/dbraw/zinc/98/64/05/1117986405.db2.gz UOKPMHVXUIUPNQ-DOTOQJQBSA-N 2 1 274.452 3.632 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccsc1 ZINC000624123557 1117986650 /nfs/dbraw/zinc/98/66/50/1117986650.db2.gz NZNWQVHZNACVSP-ZFWWWQNUSA-N 2 1 266.454 3.521 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccsc1 ZINC000624123554 1117987112 /nfs/dbraw/zinc/98/71/12/1117987112.db2.gz NZNWQVHZNACVSP-DZGCQCFKSA-N 2 1 266.454 3.521 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(C)c1 ZINC000624124006 1117987202 /nfs/dbraw/zinc/98/72/02/1117987202.db2.gz VLVUKYKWQUGAFS-WMZOPIPTSA-N 2 1 274.452 3.768 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C1CCC(F)(F)CC1 ZINC000624123191 1117987612 /nfs/dbraw/zinc/98/76/12/1117987612.db2.gz HRHIOWWRYNSXON-KBPBESRZSA-N 2 1 288.426 3.522 20 0 CHADMP C[C@H]1CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000353816465 1117996486 /nfs/dbraw/zinc/99/64/86/1117996486.db2.gz MOKHSSATWKATFR-RMPXNZIMSA-N 2 1 284.447 3.570 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000360648757 1118026626 /nfs/dbraw/zinc/02/66/26/1118026626.db2.gz SDNXVQQBNLJKHZ-SFHVURJKSA-N 2 1 284.447 3.651 20 0 CHADMP CC(C)(C)[N@@H+](CCCn1ccnc1)Cc1ccc(F)cc1 ZINC000182860650 1118031339 /nfs/dbraw/zinc/03/13/39/1118031339.db2.gz OMGXYADVIKENEW-UHFFFAOYSA-N 2 1 289.398 3.713 20 0 CHADMP CCc1ccc([C@H](CC)[NH2+]C[C@H]2CC[N@@H+](CC)C2)cc1 ZINC000037644304 1118032752 /nfs/dbraw/zinc/03/27/52/1118032752.db2.gz OPCSDHWVIFNUBL-AEFFLSMTSA-N 2 1 274.452 3.632 20 0 CHADMP CC[NH+](Cc1ccccc1C[N@H+](CC)C1CC1)C1CC1 ZINC000193616749 1118067895 /nfs/dbraw/zinc/06/78/95/1118067895.db2.gz IUPHEJZTBKNCBS-UHFFFAOYSA-N 2 1 272.436 3.655 20 0 CHADMP CC(C)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398193440 1118095468 /nfs/dbraw/zinc/09/54/68/1118095468.db2.gz NHDJADDNZQZQPT-XYJFISCASA-N 2 1 274.452 3.531 20 0 CHADMP CC(C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398193440 1118095473 /nfs/dbraw/zinc/09/54/73/1118095473.db2.gz NHDJADDNZQZQPT-XYJFISCASA-N 2 1 274.452 3.531 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(C2CC2)c1 ZINC000340175835 1118099537 /nfs/dbraw/zinc/09/95/37/1118099537.db2.gz RCQZHMSSVNEHPQ-LSDHHAIUSA-N 2 1 284.447 3.699 20 0 CHADMP C[C@H](CCC1CCCCC1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248173697 1118100891 /nfs/dbraw/zinc/10/08/91/1118100891.db2.gz VFFPUXZFPBKTNJ-VYDXJSESSA-N 2 1 266.473 3.808 20 0 CHADMP C[C@H](CCC1CCCCC1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248173697 1118100895 /nfs/dbraw/zinc/10/08/95/1118100895.db2.gz VFFPUXZFPBKTNJ-VYDXJSESSA-N 2 1 266.473 3.808 20 0 CHADMP CC/C=C/CC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001167256531 1118123509 /nfs/dbraw/zinc/12/35/09/1118123509.db2.gz ZCPIQLZDNSXEIE-SHCNBLLESA-N 2 1 278.484 3.787 20 0 CHADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1sc2ccccc2c1Cl ZINC000124498679 1118154819 /nfs/dbraw/zinc/15/48/19/1118154819.db2.gz KUOYNNXKXXUMAJ-MNOVXSKESA-N 2 1 294.851 3.866 20 0 CHADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1sc2ccccc2c1Cl ZINC000124498679 1118154821 /nfs/dbraw/zinc/15/48/21/1118154821.db2.gz KUOYNNXKXXUMAJ-MNOVXSKESA-N 2 1 294.851 3.866 20 0 CHADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000129021008 1118156544 /nfs/dbraw/zinc/15/65/44/1118156544.db2.gz ZEXOKJBPLQKHCH-DNVCBOLYSA-N 2 1 280.415 3.665 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225877824 1118168181 /nfs/dbraw/zinc/16/81/81/1118168181.db2.gz HKBYCUANVVGAQY-BPQIPLTHSA-N 2 1 290.426 3.741 20 0 CHADMP Cc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c(C)o1 ZINC000020437967 1118173787 /nfs/dbraw/zinc/17/37/87/1118173787.db2.gz XQKYCXIUIXBMRL-HIFRSBDPSA-N 2 1 278.440 3.812 20 0 CHADMP Cc1cc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c(C)o1 ZINC000020437967 1118173789 /nfs/dbraw/zinc/17/37/89/1118173789.db2.gz XQKYCXIUIXBMRL-HIFRSBDPSA-N 2 1 278.440 3.812 20 0 CHADMP CCCC[N@H+](C)c1ccc(N[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000179831241 1128761749 /nfs/dbraw/zinc/76/17/49/1128761749.db2.gz ABQRRBRWZNPOPL-NVXWUHKLSA-N 2 1 289.467 3.818 20 0 CHADMP CCCC[N@@H+](C)c1ccc(N[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000179831241 1128761751 /nfs/dbraw/zinc/76/17/51/1128761751.db2.gz ABQRRBRWZNPOPL-NVXWUHKLSA-N 2 1 289.467 3.818 20 0 CHADMP CCCC[NH+](C)c1ccc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000179831241 1128761755 /nfs/dbraw/zinc/76/17/55/1128761755.db2.gz ABQRRBRWZNPOPL-NVXWUHKLSA-N 2 1 289.467 3.818 20 0 CHADMP CCCC[NH+](C)c1ccc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000179831241 1128761758 /nfs/dbraw/zinc/76/17/58/1128761758.db2.gz ABQRRBRWZNPOPL-NVXWUHKLSA-N 2 1 289.467 3.818 20 0 CHADMP CC(C)[NH2+]CCC[NH2+][C@H](c1cc(F)ccc1F)C(C)C ZINC000579941945 1118198806 /nfs/dbraw/zinc/19/88/06/1118198806.db2.gz PUEOGYGGCQZGTI-INIZCTEOSA-N 2 1 284.394 3.640 20 0 CHADMP C[C@H](NCCC[N@@H+](C)C1CCCCC1)c1ccncc1F ZINC000340471896 1118278197 /nfs/dbraw/zinc/27/81/97/1118278197.db2.gz ZDSZNBCJLRKGQX-AWEZNQCLSA-N 2 1 293.430 3.526 20 0 CHADMP CSc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000282191848 1118280816 /nfs/dbraw/zinc/28/08/16/1118280816.db2.gz GGCHSUJQMWGLSX-RDBSUJKOSA-N 2 1 278.465 3.542 20 0 CHADMP COc1cc(C[NH2+]CCC[NH+](C(C)C)C(C)C)ccc1C ZINC000683704729 1118296823 /nfs/dbraw/zinc/29/68/23/1118296823.db2.gz WRVYBRPEHLGQSF-UHFFFAOYSA-N 2 1 292.467 3.602 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CC=CC2)cc1 ZINC000122055984 1118306065 /nfs/dbraw/zinc/30/60/65/1118306065.db2.gz KZRFPMNXTHTUDD-CYBMUJFWSA-N 2 1 267.376 3.550 20 0 CHADMP CCc1ccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)s1 ZINC001236456623 1128770938 /nfs/dbraw/zinc/77/09/38/1128770938.db2.gz AKYQMKTYDFTSOW-UHFFFAOYSA-N 2 1 294.508 3.911 20 0 CHADMP C[C@@H]([NH2+]Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000306747608 1118340736 /nfs/dbraw/zinc/34/07/36/1118340736.db2.gz FPYBZZMJEUEXHH-YLJYHZDGSA-N 2 1 294.442 3.687 20 0 CHADMP CCOc1cccc([C@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)c1 ZINC000539279158 1118351033 /nfs/dbraw/zinc/35/10/33/1118351033.db2.gz ABQLUKARYNSKLD-DOTOQJQBSA-N 2 1 290.451 3.610 20 0 CHADMP CC/C=C/CC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000352368791 1118472616 /nfs/dbraw/zinc/47/26/16/1118472616.db2.gz LMMVYYJQNWDZGF-SNAWJCMRSA-N 2 1 274.408 3.590 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC[C@@H](C)c1ccccc1 ZINC000349349486 1118502971 /nfs/dbraw/zinc/50/29/71/1118502971.db2.gz ONNQBEKVVGTZRV-MRXNPFEDSA-N 2 1 285.435 3.707 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC[C@@H](C)c1ccccc1 ZINC000349349486 1118502972 /nfs/dbraw/zinc/50/29/72/1118502972.db2.gz ONNQBEKVVGTZRV-MRXNPFEDSA-N 2 1 285.435 3.707 20 0 CHADMP CC1(C)CCC([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000398314676 1118525285 /nfs/dbraw/zinc/52/52/85/1118525285.db2.gz VBAVVWVTNFABPX-BWTSREIZSA-N 2 1 298.474 3.675 20 0 CHADMP CC1(C)CCC([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000398314676 1118525286 /nfs/dbraw/zinc/52/52/86/1118525286.db2.gz VBAVVWVTNFABPX-BWTSREIZSA-N 2 1 298.474 3.675 20 0 CHADMP CC[C@@H]1CCC[C@H](C[N@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000349408320 1118580475 /nfs/dbraw/zinc/58/04/75/1118580475.db2.gz PFOAGSXIGQCZCW-SJORKVTESA-N 2 1 277.456 3.730 20 0 CHADMP CC[C@@H]1CCC[C@H](C[N@@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000349408320 1118580477 /nfs/dbraw/zinc/58/04/77/1118580477.db2.gz PFOAGSXIGQCZCW-SJORKVTESA-N 2 1 277.456 3.730 20 0 CHADMP C[N@@H+](C1CCC([NH3+])CC1)C1CCC(c2ccccc2)CC1 ZINC000091844533 1118581491 /nfs/dbraw/zinc/58/14/91/1118581491.db2.gz GYYKBNXJDPHYAW-UHFFFAOYSA-N 2 1 286.463 3.915 20 0 CHADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(C3CCCC3)c2)C1 ZINC000656785712 1118657531 /nfs/dbraw/zinc/65/75/31/1118657531.db2.gz IOCHQTHHOSLIRT-RDTXWAMCSA-N 2 1 272.436 3.513 20 0 CHADMP Cc1ccccc1C[N@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552669 1128794854 /nfs/dbraw/zinc/79/48/54/1128794854.db2.gz YSBSGIBBGPEESR-IYARVYRRSA-N 2 1 274.452 3.723 20 0 CHADMP C1=C(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC000090798555 1118765372 /nfs/dbraw/zinc/76/53/72/1118765372.db2.gz MVZPMSPYXHORAK-UHFFFAOYSA-N 2 1 298.474 3.784 20 0 CHADMP CSc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1F ZINC000158156039 1118788616 /nfs/dbraw/zinc/78/86/16/1118788616.db2.gz FNJZJAFYPQDNQI-CHWSQXEVSA-N 2 1 296.455 3.540 20 0 CHADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]2CCCF)CCCCC1 ZINC000510707690 1118791749 /nfs/dbraw/zinc/79/17/49/1118791749.db2.gz XDTSYUXFZUXREF-HZPDHXFCSA-N 2 1 284.463 3.759 20 0 CHADMP CC(C)CCCCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129535629 1118860786 /nfs/dbraw/zinc/86/07/86/1118860786.db2.gz DZBMACPRJMGIQG-CVEARBPZSA-N 2 1 254.462 3.665 20 0 CHADMP C[C@@H]([N@@H+](C)C/C=C\C[NH+](C)[C@@H](C)C1(C)CC1)C1(C)CC1 ZINC000255086536 1118865334 /nfs/dbraw/zinc/86/53/34/1118865334.db2.gz JMUCYNWEQNNFJE-CMKSSICZSA-N 2 1 278.484 3.783 20 0 CHADMP C[C@@H]([NH+](C)C/C=C\C[N@H+](C)[C@@H](C)C1(C)CC1)C1(C)CC1 ZINC000255086536 1118865341 /nfs/dbraw/zinc/86/53/41/1118865341.db2.gz JMUCYNWEQNNFJE-CMKSSICZSA-N 2 1 278.484 3.783 20 0 CHADMP C[C@@H]([NH+](C)C/C=C\C[N@@H+](C)[C@@H](C)C1(C)CC1)C1(C)CC1 ZINC000255086536 1118865349 /nfs/dbraw/zinc/86/53/49/1118865349.db2.gz JMUCYNWEQNNFJE-CMKSSICZSA-N 2 1 278.484 3.783 20 0 CHADMP Cc1cccc(CC[C@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C)c1 ZINC000380791937 1118950020 /nfs/dbraw/zinc/95/00/20/1118950020.db2.gz IPUHMPJPZMLBFO-DLBZAZTESA-N 2 1 276.468 3.634 20 0 CHADMP Cc1cccc(CC[C@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C)c1 ZINC000380791937 1118950022 /nfs/dbraw/zinc/95/00/22/1118950022.db2.gz IPUHMPJPZMLBFO-DLBZAZTESA-N 2 1 276.468 3.634 20 0 CHADMP CCC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(F)cc1F ZINC000342271749 1118963893 /nfs/dbraw/zinc/96/38/93/1118963893.db2.gz XZSHLKWLSYVEHD-YOEHRIQHSA-N 2 1 296.405 3.880 20 0 CHADMP CCC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(F)cc1F ZINC000342271749 1118963895 /nfs/dbraw/zinc/96/38/95/1118963895.db2.gz XZSHLKWLSYVEHD-YOEHRIQHSA-N 2 1 296.405 3.880 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(-c3cccs3)cc2)CC1 ZINC000657427675 1119078949 /nfs/dbraw/zinc/07/89/49/1119078949.db2.gz RSUCNDRWXVKQAM-UHFFFAOYSA-N 2 1 298.455 3.767 20 0 CHADMP Cc1ccc2cc(C[NH2+]C3CC([NH+]4CCCCC4)C3)[nH]c2c1 ZINC000657456947 1119108297 /nfs/dbraw/zinc/10/82/97/1119108297.db2.gz CIRXLJOFAZUSFJ-UHFFFAOYSA-N 2 1 297.446 3.583 20 0 CHADMP Cc1ccc2[nH+]c(N)n(-c3cc[nH+]c(C(C)(C)C)c3)c2c1 ZINC001213161051 1119126647 /nfs/dbraw/zinc/12/66/47/1119126647.db2.gz ZPRNBBAXFLJBES-UHFFFAOYSA-N 2 1 280.375 3.609 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000647256849 1119127060 /nfs/dbraw/zinc/12/70/60/1119127060.db2.gz JGMBIPADCVVIQZ-DABHTEOTSA-N 2 1 298.474 3.818 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000647256849 1119127064 /nfs/dbraw/zinc/12/70/64/1119127064.db2.gz JGMBIPADCVVIQZ-DABHTEOTSA-N 2 1 298.474 3.818 20 0 CHADMP CCCC[C@H](CC)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467504 1119148517 /nfs/dbraw/zinc/14/85/17/1119148517.db2.gz GJJUJNFHQLQIPO-SJORKVTESA-N 2 1 266.473 3.667 20 0 CHADMP CC[C@H](C)CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000657587049 1119200685 /nfs/dbraw/zinc/20/06/85/1119200685.db2.gz PNGACFJZOMGIIA-KRWDZBQOSA-N 2 1 288.479 3.719 20 0 CHADMP Cc1ccc([C@@H](C)C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000628213898 1128828888 /nfs/dbraw/zinc/82/88/88/1128828888.db2.gz CKKCBVHHZZEKGB-ZWKOTPCHSA-N 2 1 288.479 3.809 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000342859379 1119212490 /nfs/dbraw/zinc/21/24/90/1119212490.db2.gz JJOFMUWTTFLJTO-LPHOPBHVSA-N 2 1 297.446 3.535 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000342859379 1119212494 /nfs/dbraw/zinc/21/24/94/1119212494.db2.gz JJOFMUWTTFLJTO-LPHOPBHVSA-N 2 1 297.446 3.535 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000342860873 1119214571 /nfs/dbraw/zinc/21/45/71/1119214571.db2.gz RYHOSBALEXONSW-UHFFFAOYSA-N 2 1 297.446 3.884 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1)CC1CCC1 ZINC000342860873 1119214574 /nfs/dbraw/zinc/21/45/74/1119214574.db2.gz RYHOSBALEXONSW-UHFFFAOYSA-N 2 1 297.446 3.884 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000221921634 1119215490 /nfs/dbraw/zinc/21/54/90/1119215490.db2.gz NRWBICNYBRMRGE-OAHLLOKOSA-N 2 1 296.455 3.683 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000221921634 1119215492 /nfs/dbraw/zinc/21/54/92/1119215492.db2.gz NRWBICNYBRMRGE-OAHLLOKOSA-N 2 1 296.455 3.683 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCCCC[C@@H]1CC(C)C ZINC000342866290 1119218576 /nfs/dbraw/zinc/21/85/76/1119218576.db2.gz YUXAAEZPFWOSHV-QGZVFWFLSA-N 2 1 277.456 3.872 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCCC[C@@H]1CC(C)C ZINC000342866290 1119218578 /nfs/dbraw/zinc/21/85/78/1119218578.db2.gz YUXAAEZPFWOSHV-QGZVFWFLSA-N 2 1 277.456 3.872 20 0 CHADMP CC[C@@H](N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000153700559 1119279192 /nfs/dbraw/zinc/27/91/92/1119279192.db2.gz ZCPJEWZSVOVWLE-FUHWJXTLSA-N 2 1 272.436 3.744 20 0 CHADMP CC[C@@H](N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000153700559 1119279194 /nfs/dbraw/zinc/27/91/94/1119279194.db2.gz ZCPJEWZSVOVWLE-FUHWJXTLSA-N 2 1 272.436 3.744 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000124984079 1119324124 /nfs/dbraw/zinc/32/41/24/1119324124.db2.gz PVXYUBYSNSGTHR-SFHVURJKSA-N 2 1 283.419 3.727 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000124984079 1119324126 /nfs/dbraw/zinc/32/41/26/1119324126.db2.gz PVXYUBYSNSGTHR-SFHVURJKSA-N 2 1 283.419 3.727 20 0 CHADMP CCCC[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CCC1 ZINC000628280886 1128841466 /nfs/dbraw/zinc/84/14/66/1128841466.db2.gz NJUGXZDCQBAUAS-JKSUJKDBSA-N 2 1 266.473 3.808 20 0 CHADMP CC(C)C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000052456990 1119382155 /nfs/dbraw/zinc/38/21/55/1119382155.db2.gz RJBUCDBOCSAXNI-UHFFFAOYSA-N 2 1 286.419 3.657 20 0 CHADMP CCC(CC)[C@@H](C[NH2+][C@@H]1CCC[C@@H](CC)C1)[NH+](C)C ZINC000226928351 1119386077 /nfs/dbraw/zinc/38/60/77/1119386077.db2.gz XUTZMMTZUQQFNU-DJIMGWMZSA-N 2 1 268.489 3.911 20 0 CHADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000583733528 1119404380 /nfs/dbraw/zinc/40/43/80/1119404380.db2.gz QDJBQMQRUOLVLU-ZACQAIPSSA-N 2 1 266.473 3.523 20 0 CHADMP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000583733525 1119404691 /nfs/dbraw/zinc/40/46/91/1119404691.db2.gz QDJBQMQRUOLVLU-BRWVUGGUSA-N 2 1 266.473 3.523 20 0 CHADMP CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H]1CC[N@@H+](CCC)C1 ZINC000151124069 1119404736 /nfs/dbraw/zinc/40/47/36/1119404736.db2.gz PVDFKXUILUNPKZ-JYJNAYRXSA-N 2 1 254.462 3.523 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(CC)s2)C1 ZINC000151140253 1119410775 /nfs/dbraw/zinc/41/07/75/1119410775.db2.gz YDANFCZREMPYLR-KBPBESRZSA-N 2 1 280.481 3.693 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCSCC1 ZINC000657837980 1119498429 /nfs/dbraw/zinc/49/84/29/1119498429.db2.gz LMGJZPAUKXALFC-HOTGVXAUSA-N 2 1 284.513 3.516 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CC2(C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000090773033 1119550003 /nfs/dbraw/zinc/55/00/03/1119550003.db2.gz ZMKKFNIUXQVYDZ-APWZRJJASA-N 2 1 298.474 3.819 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CC2(C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000090773033 1119550005 /nfs/dbraw/zinc/55/00/05/1119550005.db2.gz ZMKKFNIUXQVYDZ-APWZRJJASA-N 2 1 298.474 3.819 20 0 CHADMP CC(C)[C@@H]([NH2+]CCC[NH+](C(C)C)C(C)C)c1cccnc1 ZINC000091350237 1119555859 /nfs/dbraw/zinc/55/58/59/1119555859.db2.gz WXPJFDCBKRZKTO-GOSISDBHSA-N 2 1 291.483 3.877 20 0 CHADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000657875371 1119589353 /nfs/dbraw/zinc/58/93/53/1119589353.db2.gz DAZJSULJVYQSMF-WBVHZDCISA-N 2 1 294.870 3.593 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](C)CCc2ccccc2)C1 ZINC001648920568 1119595471 /nfs/dbraw/zinc/59/54/71/1119595471.db2.gz CEUHVKKAUUULNS-HKUYNNGSSA-N 2 1 288.479 3.577 20 0 CHADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@H]2CCCC[C@@H]2C)C1 ZINC001648920963 1119607096 /nfs/dbraw/zinc/60/70/96/1119607096.db2.gz LHMWEDDWBALZEI-IXDOHACOSA-N 2 1 280.500 3.913 20 0 CHADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@H]2CCCC[C@@H]2C)C1 ZINC001648920963 1119607097 /nfs/dbraw/zinc/60/70/97/1119607097.db2.gz LHMWEDDWBALZEI-IXDOHACOSA-N 2 1 280.500 3.913 20 0 CHADMP Cc1ccc(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000062426666 1119621533 /nfs/dbraw/zinc/62/15/33/1119621533.db2.gz SAXXICIZWGRNAX-GOSISDBHSA-N 2 1 298.430 3.590 20 0 CHADMP C[C@H](CCc1ccco1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658226168 1119706801 /nfs/dbraw/zinc/70/68/01/1119706801.db2.gz GUGDBZRHHZNLMJ-HZPDHXFCSA-N 2 1 290.451 3.597 20 0 CHADMP C[C@H](CCc1ccco1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658226168 1119706805 /nfs/dbraw/zinc/70/68/05/1119706805.db2.gz GUGDBZRHHZNLMJ-HZPDHXFCSA-N 2 1 290.451 3.597 20 0 CHADMP C[C@H](Cc1cccs1)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658229260 1119706816 /nfs/dbraw/zinc/70/68/16/1119706816.db2.gz PYPGSUHNPDOHOH-CABCVRRESA-N 2 1 292.492 3.676 20 0 CHADMP C[C@H](Cc1cccs1)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658229260 1119706819 /nfs/dbraw/zinc/70/68/19/1119706819.db2.gz PYPGSUHNPDOHOH-CABCVRRESA-N 2 1 292.492 3.676 20 0 CHADMP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000317039710 1119827795 /nfs/dbraw/zinc/82/77/95/1119827795.db2.gz FUWBUOIAVSTPNU-FASAQXTFSA-N 2 1 296.414 3.881 20 0 CHADMP C[C@H](CC1CCC1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309741479 1119834682 /nfs/dbraw/zinc/83/46/82/1119834682.db2.gz RZCSUUAGPLEZHR-APWZRJJASA-N 2 1 286.463 3.677 20 0 CHADMP CC(C)CCC[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309810674 1119836307 /nfs/dbraw/zinc/83/63/07/1119836307.db2.gz MSUGNJFUDTXZIF-IBGZPJMESA-N 2 1 288.479 3.924 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](C)c2coc3ccccc23)CC1 ZINC000924572356 1119903976 /nfs/dbraw/zinc/90/39/76/1119903976.db2.gz ZTKGUISYQSJBNK-CYBMUJFWSA-N 2 1 272.392 3.568 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C(C)(C)c1ccccc1 ZINC000414177082 1119927709 /nfs/dbraw/zinc/92/77/09/1119927709.db2.gz JMFMJZFWOXJBAY-IAGOWNOFSA-N 2 1 288.479 3.674 20 0 CHADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C)cc1 ZINC000414191974 1119932078 /nfs/dbraw/zinc/93/20/78/1119932078.db2.gz SQJGTNIQXCNRAU-WMZOPIPTSA-N 2 1 274.452 3.768 20 0 CHADMP CCC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C(C)(C)C ZINC000414199281 1119934915 /nfs/dbraw/zinc/93/49/15/1119934915.db2.gz WRPJWGNOBYHZKC-GJZGRUSLSA-N 2 1 254.462 3.523 20 0 CHADMP CC(C)[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414198763 1119935133 /nfs/dbraw/zinc/93/51/33/1119935133.db2.gz WKIHMFLDRRYVBV-OALUTQOASA-N 2 1 288.479 3.575 20 0 CHADMP CCC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C(C)(C)C ZINC000414199280 1119935242 /nfs/dbraw/zinc/93/52/42/1119935242.db2.gz WRPJWGNOBYHZKC-CABCVRRESA-N 2 1 254.462 3.523 20 0 CHADMP CC1(C)C[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000414223112 1119946142 /nfs/dbraw/zinc/94/61/42/1119946142.db2.gz PFSZPGCFOWPWAN-MHORFTMASA-N 2 1 284.447 3.570 20 0 CHADMP C(CC1CCCCCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000377544644 1120050949 /nfs/dbraw/zinc/05/09/49/1120050949.db2.gz VMGMMOLREKTZCQ-DLBZAZTESA-N 2 1 264.457 3.563 20 0 CHADMP CCCc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)s1 ZINC000623657002 1120065139 /nfs/dbraw/zinc/06/51/39/1120065139.db2.gz HKLVRVDUDGHPNI-AWEZNQCLSA-N 2 1 280.481 3.522 20 0 CHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000623657251 1120066210 /nfs/dbraw/zinc/06/62/10/1120066210.db2.gz MDZVGOSYJRDORU-NEWSRXKRSA-N 2 1 286.463 3.644 20 0 CHADMP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120914 1120068526 /nfs/dbraw/zinc/06/85/26/1120068526.db2.gz KAAZRAFTEMAVBA-HRCADAONSA-N 2 1 254.462 3.523 20 0 CHADMP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120913 1120068716 /nfs/dbraw/zinc/06/87/16/1120068716.db2.gz KAAZRAFTEMAVBA-ARFHVFGLSA-N 2 1 254.462 3.523 20 0 CHADMP CCc1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000589836229 1120095954 /nfs/dbraw/zinc/09/59/54/1120095954.db2.gz JZMYBUZAFQAECE-QGZVFWFLSA-N 2 1 288.479 3.993 20 0 CHADMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(F)c1F ZINC000183209487 1120130758 /nfs/dbraw/zinc/13/07/58/1120130758.db2.gz JIFYQUWKNMQXAJ-NSHDSACASA-N 2 1 296.405 3.925 20 0 CHADMP CC(C)[C@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000472736178 1120156852 /nfs/dbraw/zinc/15/68/52/1120156852.db2.gz NCNGKKRHBRXQHY-DLBZAZTESA-N 2 1 266.473 3.619 20 0 CHADMP CC(C)[C@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000472736178 1120156854 /nfs/dbraw/zinc/15/68/54/1120156854.db2.gz NCNGKKRHBRXQHY-DLBZAZTESA-N 2 1 266.473 3.619 20 0 CHADMP CC(C)C[C@@H]1CCCCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000565154602 1120186172 /nfs/dbraw/zinc/18/61/72/1120186172.db2.gz AVFJNYDBXJHIKJ-INIZCTEOSA-N 2 1 277.456 3.643 20 0 CHADMP CC(C)C[C@@H]1CCCCC[N@H+]1CCCc1c[nH+]cn1C ZINC000565154602 1120186174 /nfs/dbraw/zinc/18/61/74/1120186174.db2.gz AVFJNYDBXJHIKJ-INIZCTEOSA-N 2 1 277.456 3.643 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236819874 1128898380 /nfs/dbraw/zinc/89/83/80/1128898380.db2.gz OWSAQBWSZCNOGC-QSVRLDAFSA-N 2 1 264.457 3.572 20 0 CHADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@H](CC(C)C)C1 ZINC000300666774 1120207698 /nfs/dbraw/zinc/20/76/98/1120207698.db2.gz HUZPCBSKOHHYFZ-GVDBMIGSSA-N 2 1 268.489 3.911 20 0 CHADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H](CC(C)C)C1 ZINC000300666774 1120207701 /nfs/dbraw/zinc/20/77/01/1120207701.db2.gz HUZPCBSKOHHYFZ-GVDBMIGSSA-N 2 1 268.489 3.911 20 0 CHADMP C[N@H+]1CC=C(CNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000354586656 1120211011 /nfs/dbraw/zinc/21/10/11/1120211011.db2.gz AKCMGJCSPMXHSG-UHFFFAOYSA-N 2 1 287.794 3.562 20 0 CHADMP C[N@@H+]1CC=C(CNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000354586656 1120211013 /nfs/dbraw/zinc/21/10/13/1120211013.db2.gz AKCMGJCSPMXHSG-UHFFFAOYSA-N 2 1 287.794 3.562 20 0 CHADMP CC(C)c1cccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000659920960 1120286454 /nfs/dbraw/zinc/28/64/54/1120286454.db2.gz SQWKTEYQNCMONS-UHFFFAOYSA-N 2 1 274.452 3.584 20 0 CHADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(SC)c2)C1 ZINC000659982438 1120323784 /nfs/dbraw/zinc/32/37/84/1120323784.db2.gz NAPQENFJYRZEEG-MRXNPFEDSA-N 2 1 292.492 3.572 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(SC)c2)C1 ZINC000659982438 1120323788 /nfs/dbraw/zinc/32/37/88/1120323788.db2.gz NAPQENFJYRZEEG-MRXNPFEDSA-N 2 1 292.492 3.572 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(SC)c2)C1 ZINC000659982438 1120323795 /nfs/dbraw/zinc/32/37/95/1120323795.db2.gz NAPQENFJYRZEEG-MRXNPFEDSA-N 2 1 292.492 3.572 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(SC)c2)C1 ZINC000659982438 1120323799 /nfs/dbraw/zinc/32/37/99/1120323799.db2.gz NAPQENFJYRZEEG-MRXNPFEDSA-N 2 1 292.492 3.572 20 0 CHADMP c1cc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)co1 ZINC000309962541 1120345264 /nfs/dbraw/zinc/34/52/64/1120345264.db2.gz JCVOQJJZLGBUKI-GOSISDBHSA-N 2 1 298.430 3.672 20 0 CHADMP c1cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)co1 ZINC000309962541 1120345267 /nfs/dbraw/zinc/34/52/67/1120345267.db2.gz JCVOQJJZLGBUKI-GOSISDBHSA-N 2 1 298.430 3.672 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000417336390 1120429784 /nfs/dbraw/zinc/42/97/84/1120429784.db2.gz HWQFPYVZLFMLLV-FXUDXRNXSA-N 2 1 292.492 3.562 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000644784152 1120485152 /nfs/dbraw/zinc/48/51/52/1120485152.db2.gz OUXPMPMNXOZNPH-OXQOHEQNSA-N 2 1 294.442 3.928 20 0 CHADMP C[C@H](c1cccc2ccccc21)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000644784152 1120485154 /nfs/dbraw/zinc/48/51/54/1120485154.db2.gz OUXPMPMNXOZNPH-OXQOHEQNSA-N 2 1 294.442 3.928 20 0 CHADMP C[C@H](c1cccc2ccccc21)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000644784152 1120485155 /nfs/dbraw/zinc/48/51/55/1120485155.db2.gz OUXPMPMNXOZNPH-OXQOHEQNSA-N 2 1 294.442 3.928 20 0 CHADMP CC[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000500116484 1120514855 /nfs/dbraw/zinc/51/48/55/1120514855.db2.gz ORWXREKYGJCYAC-YTQUADARSA-N 2 1 286.463 3.771 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000069710307 1120517910 /nfs/dbraw/zinc/51/79/10/1120517910.db2.gz UXJQRTUANVUANI-UHFFFAOYSA-N 2 1 294.442 3.749 20 0 CHADMP Cc1[nH]c2ccc(NCCC[N@@H+]3CCCC[C@@H]3C)cc2[nH+]1 ZINC001167751899 1120541943 /nfs/dbraw/zinc/54/19/43/1120541943.db2.gz ORIVDNNQHRCLLS-ZDUSSCGKSA-N 2 1 286.423 3.548 20 0 CHADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1csc2ccccc21 ZINC000925713788 1120664933 /nfs/dbraw/zinc/66/49/33/1120664933.db2.gz ZDFOKVBYVBWFPF-ZDUSSCGKSA-N 2 1 286.444 3.814 20 0 CHADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc(C(F)F)cc1)C2 ZINC000660662380 1120674913 /nfs/dbraw/zinc/67/49/13/1120674913.db2.gz JKEQXEHIZKGZHF-KRWDZBQOSA-N 2 1 294.389 3.542 20 0 CHADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(C(F)F)cc1)C2 ZINC000660662380 1120674915 /nfs/dbraw/zinc/67/49/15/1120674915.db2.gz JKEQXEHIZKGZHF-KRWDZBQOSA-N 2 1 294.389 3.542 20 0 CHADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(C(F)F)cc1)C2 ZINC000660662380 1120674922 /nfs/dbraw/zinc/67/49/22/1120674922.db2.gz JKEQXEHIZKGZHF-KRWDZBQOSA-N 2 1 294.389 3.542 20 0 CHADMP CSc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000282457980 1120686358 /nfs/dbraw/zinc/68/63/58/1120686358.db2.gz VKCPOSHDHLCLMZ-SOUVJXGZSA-N 2 1 290.476 3.686 20 0 CHADMP CC(C)C1CCC([N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)CC1 ZINC000228086240 1120774491 /nfs/dbraw/zinc/77/44/91/1120774491.db2.gz GVLBIYPMGACVEC-ABHNRTSZSA-N 2 1 278.484 3.667 20 0 CHADMP CC[N@@H+](C)C[C@H]1CCN(Cc2cc3c(ccc(C)c3C)[nH]2)C1 ZINC000473146738 1120816979 /nfs/dbraw/zinc/81/69/79/1120816979.db2.gz VMVMUWKXEZVNOK-MRXNPFEDSA-N 2 1 299.462 3.558 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1 ZINC000164597979 1120836799 /nfs/dbraw/zinc/83/67/99/1120836799.db2.gz QVKVOYLLMRDFCX-OAHLLOKOSA-N 2 1 285.435 3.885 20 0 CHADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000661968054 1120849251 /nfs/dbraw/zinc/84/92/51/1120849251.db2.gz TVCBVIPXUNCVMP-OALUTQOASA-N 2 1 284.447 3.514 20 0 CHADMP CCCC[C@H](CC)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000248907937 1120880509 /nfs/dbraw/zinc/88/05/09/1120880509.db2.gz ZBJSZVQPNYXXNZ-PMPSAXMXSA-N 2 1 254.462 3.617 20 0 CHADMP CCCC[C@H](CC)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000248907937 1120880514 /nfs/dbraw/zinc/88/05/14/1120880514.db2.gz ZBJSZVQPNYXXNZ-PMPSAXMXSA-N 2 1 254.462 3.617 20 0 CHADMP CCCC[C@H](CC)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000248907937 1120880517 /nfs/dbraw/zinc/88/05/17/1120880517.db2.gz ZBJSZVQPNYXXNZ-PMPSAXMXSA-N 2 1 254.462 3.617 20 0 CHADMP CCCC[C@H](CC)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248907937 1120880522 /nfs/dbraw/zinc/88/05/22/1120880522.db2.gz ZBJSZVQPNYXXNZ-PMPSAXMXSA-N 2 1 254.462 3.617 20 0 CHADMP CC[C@H](C)C[C@H](CC)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000251929796 1120884168 /nfs/dbraw/zinc/88/41/68/1120884168.db2.gz RCRYLDLUSLMNLT-XHSDSOJGSA-N 2 1 254.462 3.521 20 0 CHADMP CC(C)c1cccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000662234103 1120908232 /nfs/dbraw/zinc/90/82/32/1120908232.db2.gz IMIPMYHYKUUKSD-UHFFFAOYSA-N 2 1 272.436 3.526 20 0 CHADMP c1csc([C@@H]2CCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)c1 ZINC000662248407 1120911826 /nfs/dbraw/zinc/91/18/26/1120911826.db2.gz ATBXCEGTOXDLNJ-KRWDZBQOSA-N 2 1 298.455 3.731 20 0 CHADMP CC[C@H](CC(F)F)C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000662273120 1120916484 /nfs/dbraw/zinc/91/64/84/1120916484.db2.gz TXJZCSUPZLFMPW-CQSZACIVSA-N 2 1 284.394 3.519 20 0 CHADMP CC[C@H]1C[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC[C@H]1[NH3+] ZINC000662273713 1120916732 /nfs/dbraw/zinc/91/67/32/1120916732.db2.gz YUSKYOVZMAFJFS-UKBAYJJMSA-N 2 1 286.463 3.630 20 0 CHADMP C[C@@H]1CC2(C[N@H+]1CC[C@H]1CCc3ccccc31)CC[NH2+]CC2 ZINC000662283163 1120918701 /nfs/dbraw/zinc/91/87/01/1120918701.db2.gz LZSKMCZIVOTJEU-SJLPKXTDSA-N 2 1 298.474 3.571 20 0 CHADMP CC[C@@H](c1ccc(Br)cc1)[N@H+](C)CC(C)(C)[NH3+] ZINC000662292487 1120920920 /nfs/dbraw/zinc/92/09/20/1120920920.db2.gz ITZDKMZBRWGPRP-ZDUSSCGKSA-N 2 1 299.256 3.569 20 0 CHADMP CC[C@@H](c1ccc(Br)cc1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662292487 1120920922 /nfs/dbraw/zinc/92/09/22/1120920922.db2.gz ITZDKMZBRWGPRP-ZDUSSCGKSA-N 2 1 299.256 3.569 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000221910619 1120933778 /nfs/dbraw/zinc/93/37/78/1120933778.db2.gz IZPHRVTUGJMGOO-OAHLLOKOSA-N 2 1 262.441 3.630 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1F ZINC000663344248 1120940945 /nfs/dbraw/zinc/94/09/45/1120940945.db2.gz QCKYECVQPOJLFF-GDBMZVCRSA-N 2 1 290.426 3.598 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1F ZINC000663344248 1120940950 /nfs/dbraw/zinc/94/09/50/1120940950.db2.gz QCKYECVQPOJLFF-GDBMZVCRSA-N 2 1 290.426 3.598 20 0 CHADMP Clc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663347305 1120942641 /nfs/dbraw/zinc/94/26/41/1120942641.db2.gz JSUAYRZOHSOQQN-INIZCTEOSA-N 2 1 292.854 3.552 20 0 CHADMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1C ZINC000663347741 1120943046 /nfs/dbraw/zinc/94/30/46/1120943046.db2.gz UHUQLCZNXQWFKW-LJQANCHMSA-N 2 1 286.463 3.515 20 0 CHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1CCC1 ZINC000398800672 1120945793 /nfs/dbraw/zinc/94/57/93/1120945793.db2.gz NTEYJQSXQOUCFZ-QFBILLFUSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1CCC1 ZINC000398800672 1120945796 /nfs/dbraw/zinc/94/57/96/1120945796.db2.gz NTEYJQSXQOUCFZ-QFBILLFUSA-N 2 1 286.463 3.677 20 0 CHADMP C([NH2+][C@@H]1CCCC12CCCC2)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663465868 1120981078 /nfs/dbraw/zinc/98/10/78/1120981078.db2.gz LZOXZLRPPWCMRC-ZWKOTPCHSA-N 2 1 290.495 3.811 20 0 CHADMP CCCC[C@H](CC)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467503 1120981561 /nfs/dbraw/zinc/98/15/61/1120981561.db2.gz GJJUJNFHQLQIPO-IRXDYDNUSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@H]([NH2+]CC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390788723 1120981773 /nfs/dbraw/zinc/98/17/73/1120981773.db2.gz DFVMLRDPHANGPI-DOTOQJQBSA-N 2 1 274.452 3.533 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccs1 ZINC000663469941 1120984651 /nfs/dbraw/zinc/98/46/51/1120984651.db2.gz RTRHVCPWJAATJV-UKRRQHHQSA-N 2 1 278.465 3.521 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC001167823993 1120995811 /nfs/dbraw/zinc/99/58/11/1120995811.db2.gz APMXQUXPFWKAJN-PMPSAXMXSA-N 2 1 254.462 3.617 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001167825608 1121000159 /nfs/dbraw/zinc/00/01/59/1121000159.db2.gz KJHXOAITDDRCTE-UONOGXRCSA-N 2 1 294.405 3.771 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCCC12CC2 ZINC001167837771 1121040827 /nfs/dbraw/zinc/04/08/27/1121040827.db2.gz MKPDIWMJSVGKGL-OAHLLOKOSA-N 2 1 252.446 3.515 20 0 CHADMP CCCC[C@@H](CC)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000251276610 1121108722 /nfs/dbraw/zinc/10/87/22/1121108722.db2.gz DPBFWCIVVJGBBV-HZPDHXFCSA-N 2 1 254.462 3.809 20 0 CHADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(C(F)F)cc1)CC[NH2+]CC2 ZINC000335277476 1121123842 /nfs/dbraw/zinc/12/38/42/1121123842.db2.gz HTJMFDZXAWYOAF-CYBMUJFWSA-N 2 1 294.389 3.588 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H]2CC=CCC2)c1 ZINC000344220689 1121124035 /nfs/dbraw/zinc/12/40/35/1121124035.db2.gz UWVVYFSSTKEYFU-INIZCTEOSA-N 2 1 272.436 3.584 20 0 CHADMP c1cc(C[N@H+]2CC[C@H]3C[C@H]3C2)ccc1C[NH+]1CCCCC1 ZINC000661965960 1121164733 /nfs/dbraw/zinc/16/47/33/1121164733.db2.gz COGGAXRYSJEEML-OALUTQOASA-N 2 1 284.447 3.514 20 0 CHADMP Cc1ccccc1[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000163072094 1128973094 /nfs/dbraw/zinc/97/30/94/1128973094.db2.gz QPCRFPKABBKJSW-SOLBZPMBSA-N 2 1 274.452 3.764 20 0 CHADMP Cc1ccccc1[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000163072094 1128973098 /nfs/dbraw/zinc/97/30/98/1128973098.db2.gz QPCRFPKABBKJSW-SOLBZPMBSA-N 2 1 274.452 3.764 20 0 CHADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cccc3ccccc32)CC1 ZINC000512400795 1121312372 /nfs/dbraw/zinc/31/23/72/1121312372.db2.gz SJCXKPMHSRUGCZ-UHFFFAOYSA-N 2 1 294.442 3.900 20 0 CHADMP Cc1cn(Cc2ccc(C[NH+]3CCCCC3)cc2)c(C)[nH+]1 ZINC000631012931 1128978516 /nfs/dbraw/zinc/97/85/16/1128978516.db2.gz QILWBOUULLNIJN-UHFFFAOYSA-N 2 1 283.419 3.534 20 0 CHADMP C[C@@H]1CC[C@H]([NH+](C)C/C=C/C[N@H+](C)[C@@H]2CC[C@H](C)C2)C1 ZINC000429580844 1121341213 /nfs/dbraw/zinc/34/12/13/1121341213.db2.gz RGOLOUYKFMHFOY-LSNRLGPVSA-N 2 1 278.484 3.783 20 0 CHADMP C[C@@H]1CC[C@H]([N@@H+](C)C/C=C/C[NH+](C)[C@@H]2CC[C@H](C)C2)C1 ZINC000429580844 1121341221 /nfs/dbraw/zinc/34/12/21/1121341221.db2.gz RGOLOUYKFMHFOY-LSNRLGPVSA-N 2 1 278.484 3.783 20 0 CHADMP C[C@@H]1CC[C@H]([N@H+](C)C/C=C/C[NH+](C)[C@@H]2CC[C@H](C)C2)C1 ZINC000429580844 1121341229 /nfs/dbraw/zinc/34/12/29/1121341229.db2.gz RGOLOUYKFMHFOY-LSNRLGPVSA-N 2 1 278.484 3.783 20 0 CHADMP Cc1occc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000675780396 1121356478 /nfs/dbraw/zinc/35/64/78/1121356478.db2.gz XWEVDGZBWSMBBH-KBXCAEBGSA-N 2 1 290.451 3.721 20 0 CHADMP CC(C)c1ccc(CC[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000432796082 1121358948 /nfs/dbraw/zinc/35/89/48/1121358948.db2.gz FICBMCMFRRDGHR-LJQANCHMSA-N 2 1 288.479 3.769 20 0 CHADMP CC(C)C[N@@H+](CCC(C)(C)C)CC1CC[NH+](C)CC1 ZINC001175601428 1121381994 /nfs/dbraw/zinc/38/19/94/1121381994.db2.gz LOVDOFTWXGGQDD-UHFFFAOYSA-N 2 1 268.489 3.722 20 0 CHADMP Cc1ncc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)s1 ZINC000245586008 1121417029 /nfs/dbraw/zinc/41/70/29/1121417029.db2.gz MGMOROROPOHCLR-KGLIPLIRSA-N 2 1 295.496 3.614 20 0 CHADMP CC[C@H]1C[N@H+](C2c3ccccc3-c3ccccc32)CC[C@@H]1[NH3+] ZINC000316933541 1121479530 /nfs/dbraw/zinc/47/95/30/1121479530.db2.gz YQYHNHXEAHWPBL-LIRRHRJNSA-N 2 1 292.426 3.816 20 0 CHADMP C[C@H](c1ccccc1F)[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000316937294 1121480034 /nfs/dbraw/zinc/48/00/34/1121480034.db2.gz OAMOGFNVVPHLIK-CQSZACIVSA-N 2 1 298.405 3.664 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000512615254 1121494173 /nfs/dbraw/zinc/49/41/73/1121494173.db2.gz YWUKVMIOUHKGTD-JOCLIGHLSA-N 2 1 298.474 3.675 20 0 CHADMP [NH2+]=C(Nc1ccc(-c2ccccc2F)cc1)SCC[NH3+] ZINC001167915456 1121496078 /nfs/dbraw/zinc/49/60/78/1121496078.db2.gz HORURPCGDDQCCH-UHFFFAOYSA-N 2 1 289.379 3.531 20 0 CHADMP CC[NH+](CC)c1ccc(Nc2ccc(C[NH3+])cc2)cc1 ZINC001175967093 1121506054 /nfs/dbraw/zinc/50/60/54/1121506054.db2.gz JZONJSNOKVSCTR-UHFFFAOYSA-N 2 1 269.392 3.735 20 0 CHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](c2ccccc2)C1 ZINC000433044470 1121533659 /nfs/dbraw/zinc/53/36/59/1121533659.db2.gz NEBSVNFBEYWCPW-OALUTQOASA-N 2 1 286.463 3.740 20 0 CHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433044470 1121533664 /nfs/dbraw/zinc/53/36/64/1121533664.db2.gz NEBSVNFBEYWCPW-OALUTQOASA-N 2 1 286.463 3.740 20 0 CHADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433044470 1121533672 /nfs/dbraw/zinc/53/36/72/1121533672.db2.gz NEBSVNFBEYWCPW-OALUTQOASA-N 2 1 286.463 3.740 20 0 CHADMP Cc1ccc([C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C2CCCC2)o1 ZINC000543626730 1121533759 /nfs/dbraw/zinc/53/37/59/1121533759.db2.gz ISUDBDAKNKVJSR-SFHVURJKSA-N 2 1 288.435 3.671 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+]([C@H]2C[C@H]3C[C@H]3C2)C2CCCCC2)CC1 ZINC001167916682 1121550157 /nfs/dbraw/zinc/55/01/57/1121550157.db2.gz IRRSHIUEFWRLMW-ITTAAEBISA-N 2 1 276.468 3.690 20 0 CHADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923315183 1121558324 /nfs/dbraw/zinc/55/83/24/1121558324.db2.gz QZYIQFDIMZUDCM-SLUKUZTOSA-N 2 1 296.524 3.513 20 0 CHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167917112 1121560908 /nfs/dbraw/zinc/56/09/08/1121560908.db2.gz KIXOTSIURFJTHS-RDGPPVDQSA-N 2 1 298.474 3.675 20 0 CHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167917112 1121560916 /nfs/dbraw/zinc/56/09/16/1121560916.db2.gz KIXOTSIURFJTHS-RDGPPVDQSA-N 2 1 298.474 3.675 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]C(C)(C)Cc1ccc(C)cc1 ZINC000419333150 1121663766 /nfs/dbraw/zinc/66/37/66/1121663766.db2.gz LJXXGTIMVFXYAM-UHFFFAOYSA-N 2 1 299.462 3.891 20 0 CHADMP Cn1cncc1C1CCN(Cc2ccsc2Cl)CC1 ZINC001176978942 1121703969 /nfs/dbraw/zinc/70/39/69/1121703969.db2.gz YUXQINKZKCGCDC-UHFFFAOYSA-N 2 1 295.839 3.515 20 0 CHADMP C[NH+]1CC2(C1)CC[NH+](Cc1cccc(Cl)c1Cl)CC2 ZINC001204184673 1121710880 /nfs/dbraw/zinc/71/08/80/1121710880.db2.gz KLTUKEFRHSACAA-UHFFFAOYSA-N 2 1 299.245 3.521 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(C2CC2)c(C2CC2)c1 ZINC001177554204 1121734452 /nfs/dbraw/zinc/73/44/52/1121734452.db2.gz PFRFGGORKGXHAB-UHFFFAOYSA-N 2 1 295.430 3.736 20 0 CHADMP c1ccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCCC2)cc1 ZINC000166080708 1121735997 /nfs/dbraw/zinc/73/59/97/1121735997.db2.gz UBWTZMQOQRQTJW-RTBURBONSA-N 2 1 298.474 3.715 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC001177541817 1121737623 /nfs/dbraw/zinc/73/76/23/1121737623.db2.gz FBAHKKPCLBBWTN-HRCADAONSA-N 2 1 266.473 3.523 20 0 CHADMP CCCC[NH+]1CCC([NH2+]Cc2nccc3ccccc32)CC1 ZINC000894205735 1121744234 /nfs/dbraw/zinc/74/42/34/1121744234.db2.gz AXKGEFITHROPJW-UHFFFAOYSA-N 2 1 297.446 3.589 20 0 CHADMP C(CCC1CCCC1)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166738108 1121748539 /nfs/dbraw/zinc/74/85/39/1121748539.db2.gz XDVGWFWWTPNCGY-DLBZAZTESA-N 2 1 264.457 3.563 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc2ccccc2o1 ZINC001177911184 1121756421 /nfs/dbraw/zinc/75/64/21/1121756421.db2.gz HEBGZQQROQYSEJ-UHFFFAOYSA-N 2 1 283.375 3.508 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000285871961 1121764265 /nfs/dbraw/zinc/76/42/65/1121764265.db2.gz YGAJNWSNCRUHMO-QAPCUYQASA-N 2 1 283.419 3.665 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000285871961 1121764267 /nfs/dbraw/zinc/76/42/67/1121764267.db2.gz YGAJNWSNCRUHMO-QAPCUYQASA-N 2 1 283.419 3.665 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc3c2CCCC3)CC1 ZINC001206318967 1121771931 /nfs/dbraw/zinc/77/19/31/1121771931.db2.gz WHBDVPPQGNGTSG-IBGZPJMESA-N 2 1 286.463 3.516 20 0 CHADMP c1ccc(Oc2cccc(C[NH2+]CCC[NH+]3CCC3)c2)cc1 ZINC001178397635 1121781463 /nfs/dbraw/zinc/78/14/63/1121781463.db2.gz DJTQJMFCVGWULV-UHFFFAOYSA-N 2 1 296.414 3.664 20 0 CHADMP CCSc1ccccc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206335545 1121796526 /nfs/dbraw/zinc/79/65/26/1121796526.db2.gz GCDCPQIHMKTKDB-KRWDZBQOSA-N 2 1 292.492 3.750 20 0 CHADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246577236 1121804728 /nfs/dbraw/zinc/80/47/28/1121804728.db2.gz LTOQXZKORFVCSK-SUMDDJOVSA-N 2 1 284.447 3.696 20 0 CHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246577236 1121804745 /nfs/dbraw/zinc/80/47/45/1121804745.db2.gz LTOQXZKORFVCSK-SUMDDJOVSA-N 2 1 284.447 3.696 20 0 CHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246577236 1121804756 /nfs/dbraw/zinc/80/47/56/1121804756.db2.gz LTOQXZKORFVCSK-SUMDDJOVSA-N 2 1 284.447 3.696 20 0 CHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246577236 1121804769 /nfs/dbraw/zinc/80/47/69/1121804769.db2.gz LTOQXZKORFVCSK-SUMDDJOVSA-N 2 1 284.447 3.696 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C[C@@H]1CCC[C@@H](CC)C1 ZINC001178836154 1121821976 /nfs/dbraw/zinc/82/19/76/1121821976.db2.gz UOMVLYVUDMVJNB-BRWVUGGUSA-N 2 1 268.489 3.913 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H]1CCC[C@@H](CC)C1 ZINC001178836154 1121821988 /nfs/dbraw/zinc/82/19/88/1121821988.db2.gz UOMVLYVUDMVJNB-BRWVUGGUSA-N 2 1 268.489 3.913 20 0 CHADMP CC[C@H]1CCC[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)C1 ZINC001179081760 1121847661 /nfs/dbraw/zinc/84/76/61/1121847661.db2.gz OAQZPTQREDMTSX-JKSUJKDBSA-N 2 1 254.462 3.523 20 0 CHADMP CC(C)Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001179222750 1121859725 /nfs/dbraw/zinc/85/97/25/1121859725.db2.gz PRAWVKQNBGTPDD-GOSISDBHSA-N 2 1 288.479 3.848 20 0 CHADMP C([NH2+]C1CCCC1)[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000731453836 1121867479 /nfs/dbraw/zinc/86/74/79/1121867479.db2.gz QJLBBOUNKISJOO-KRWDZBQOSA-N 2 1 264.457 3.563 20 0 CHADMP CC(C)CCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001179924873 1121923367 /nfs/dbraw/zinc/92/33/67/1121923367.db2.gz KQBNWIOJSFRRLE-WMZOPIPTSA-N 2 1 278.484 3.761 20 0 CHADMP CC(C)CCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001179924873 1121923375 /nfs/dbraw/zinc/92/33/75/1121923375.db2.gz KQBNWIOJSFRRLE-WMZOPIPTSA-N 2 1 278.484 3.761 20 0 CHADMP CC(C)CCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001179924873 1121923380 /nfs/dbraw/zinc/92/33/80/1121923380.db2.gz KQBNWIOJSFRRLE-WMZOPIPTSA-N 2 1 278.484 3.761 20 0 CHADMP CC1(C)CCC[C@@H](C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC001179873172 1121924173 /nfs/dbraw/zinc/92/41/73/1121924173.db2.gz FANLFAHEOHCCFK-IAGOWNOFSA-N 2 1 278.484 3.621 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C3CC3)cc2)[C@H](C)C1 ZINC001179906651 1121929564 /nfs/dbraw/zinc/92/95/64/1121929564.db2.gz ZLGOKHIDONMNLM-BEFAXECRSA-N 2 1 286.463 3.726 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C3CC3)cc2)[C@H](C)C1 ZINC001179906651 1121929569 /nfs/dbraw/zinc/92/95/69/1121929569.db2.gz ZLGOKHIDONMNLM-BEFAXECRSA-N 2 1 286.463 3.726 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C3CC3)cc2)[C@H](C)C1 ZINC001179906651 1121929576 /nfs/dbraw/zinc/92/95/76/1121929576.db2.gz ZLGOKHIDONMNLM-BEFAXECRSA-N 2 1 286.463 3.726 20 0 CHADMP CC[N@@H+](CC1CC[NH+](CC)CC1)[C@@H](C)c1ccc(F)cc1 ZINC001180043217 1121941534 /nfs/dbraw/zinc/94/15/34/1121941534.db2.gz QQHSTJIIQHTBBQ-HNNXBMFYSA-N 2 1 292.442 3.941 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@@H](CC(C)C)C1 ZINC000509946621 1121982710 /nfs/dbraw/zinc/98/27/10/1121982710.db2.gz YBFMEKTYGABZRP-IRXDYDNUSA-N 2 1 277.456 3.776 20 0 CHADMP C[C@]1(C[NH3+])CC[N@H+](Cc2ccccc2Oc2ccccc2)C1 ZINC000420307775 1121997011 /nfs/dbraw/zinc/99/70/11/1121997011.db2.gz CIRGOYWKMZOJOO-LJQANCHMSA-N 2 1 296.414 3.650 20 0 CHADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccccc2Oc2ccccc2)C1 ZINC000420307775 1121997019 /nfs/dbraw/zinc/99/70/19/1121997019.db2.gz CIRGOYWKMZOJOO-LJQANCHMSA-N 2 1 296.414 3.650 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000420304142 1121997841 /nfs/dbraw/zinc/99/78/41/1121997841.db2.gz KYOWJKSBZSSFAZ-KGLIPLIRSA-N 2 1 292.854 3.865 20 0 CHADMP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420304473 1121997891 /nfs/dbraw/zinc/99/78/91/1121997891.db2.gz OOGSFZQAWHLIAN-VKJFTORMSA-N 2 1 290.426 3.598 20 0 CHADMP c1c2ccccc2[nH]c1[C@@H]1CCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420314697 1121999107 /nfs/dbraw/zinc/99/91/07/1121999107.db2.gz ZIRWZCSBVYMODU-KXBFYZLASA-N 2 1 297.446 3.695 20 0 CHADMP Cc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420317140 1122000655 /nfs/dbraw/zinc/00/06/55/1122000655.db2.gz NIPFUVQLBCPSJI-FUHWJXTLSA-N 2 1 272.436 3.522 20 0 CHADMP Cc1ccc([C@@H](C)[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000420325014 1122002083 /nfs/dbraw/zinc/00/20/83/1122002083.db2.gz VXOBJRFZTRTADF-SJORKVTESA-N 2 1 274.452 3.686 20 0 CHADMP Cc1cc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)c2ccccc2n1 ZINC000420376527 1122004065 /nfs/dbraw/zinc/00/40/65/1122004065.db2.gz VEWXTCPSISICBD-IBGZPJMESA-N 2 1 297.446 3.540 20 0 CHADMP [NH3+]C[C@@H]([NH2+]CCc1c(F)cccc1Cl)C1CCCCC1 ZINC000420374774 1122004740 /nfs/dbraw/zinc/00/47/40/1122004740.db2.gz SKOSIRQQLCXWBP-MRXNPFEDSA-N 2 1 298.833 3.519 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)oc1C ZINC000502412805 1122080961 /nfs/dbraw/zinc/08/09/61/1122080961.db2.gz FJSZLIUFPYAJRG-RDJZCZTQSA-N 2 1 292.467 3.915 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)oc1C ZINC000502412805 1122080966 /nfs/dbraw/zinc/08/09/66/1122080966.db2.gz FJSZLIUFPYAJRG-RDJZCZTQSA-N 2 1 292.467 3.915 20 0 CHADMP CCCc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)s1 ZINC001182034599 1122104504 /nfs/dbraw/zinc/10/45/04/1122104504.db2.gz ULEBOWPZMBGFED-KRWDZBQOSA-N 2 1 292.492 3.618 20 0 CHADMP CCCc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)s1 ZINC001182034599 1122104532 /nfs/dbraw/zinc/10/45/32/1122104532.db2.gz ULEBOWPZMBGFED-KRWDZBQOSA-N 2 1 292.492 3.618 20 0 CHADMP C[N@@H+](CCCC[NH2+]Cc1cccc(C2CC2)c1)C1CC1 ZINC000421386866 1122108034 /nfs/dbraw/zinc/10/80/34/1122108034.db2.gz RWNXKTWQTBRTJS-UHFFFAOYSA-N 2 1 272.436 3.528 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)oc1C ZINC000502695812 1122138848 /nfs/dbraw/zinc/13/88/48/1122138848.db2.gz AMCBSOUINIMWSO-UKRRQHHQSA-N 2 1 278.440 3.669 20 0 CHADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000503002145 1122161525 /nfs/dbraw/zinc/16/15/25/1122161525.db2.gz BSMDIVJPSOVYOB-KCITZHQASA-N 2 1 286.463 3.500 20 0 CHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000503002145 1122161529 /nfs/dbraw/zinc/16/15/29/1122161529.db2.gz BSMDIVJPSOVYOB-KCITZHQASA-N 2 1 286.463 3.500 20 0 CHADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(Cl)cc(Cl)c1 ZINC000271831645 1122178109 /nfs/dbraw/zinc/17/81/09/1122178109.db2.gz FAVHOKHIXWGDMM-NSHDSACASA-N 2 1 299.245 3.906 20 0 CHADMP CC(C)C[N@@H+](C)CCCNCc1coc2ccccc12 ZINC001182713751 1122184931 /nfs/dbraw/zinc/18/49/31/1122184931.db2.gz IHVVPRYFOQPOBB-UHFFFAOYSA-N 2 1 274.408 3.500 20 0 CHADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1coc2ccccc12 ZINC001182713751 1122184932 /nfs/dbraw/zinc/18/49/32/1122184932.db2.gz IHVVPRYFOQPOBB-UHFFFAOYSA-N 2 1 274.408 3.500 20 0 CHADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1coc2ccccc12 ZINC001182713751 1122184936 /nfs/dbraw/zinc/18/49/36/1122184936.db2.gz IHVVPRYFOQPOBB-UHFFFAOYSA-N 2 1 274.408 3.500 20 0 CHADMP CCC1([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC000272314215 1122197068 /nfs/dbraw/zinc/19/70/68/1122197068.db2.gz UKTFGYHLEUOVPY-UHFFFAOYSA-N 2 1 286.463 3.616 20 0 CHADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205257194 1122209205 /nfs/dbraw/zinc/20/92/05/1122209205.db2.gz TWOCZTAEFKOLDC-SJLPKXTDSA-N 2 1 298.515 3.811 20 0 CHADMP CSc1cccc(Cl)c1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205289399 1122251229 /nfs/dbraw/zinc/25/12/29/1122251229.db2.gz XUWJGFYQJZZALW-OAHLLOKOSA-N 2 1 298.883 3.765 20 0 CHADMP CSc1cccc(Cl)c1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205289399 1122251236 /nfs/dbraw/zinc/25/12/36/1122251236.db2.gz XUWJGFYQJZZALW-OAHLLOKOSA-N 2 1 298.883 3.765 20 0 CHADMP CC(C)c1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1Cl ZINC001205317308 1122302115 /nfs/dbraw/zinc/30/21/15/1122302115.db2.gz NKWDPGYQQPFLGJ-UKRRQHHQSA-N 2 1 294.870 3.880 20 0 CHADMP CC(C)c1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1Cl ZINC001205317308 1122302121 /nfs/dbraw/zinc/30/21/21/1122302121.db2.gz NKWDPGYQQPFLGJ-UKRRQHHQSA-N 2 1 294.870 3.880 20 0 CHADMP Cc1cc2cc(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)oc2cc1C ZINC000430137991 1122440402 /nfs/dbraw/zinc/44/04/02/1122440402.db2.gz XOAYYMBMFBRDGA-IBGZPJMESA-N 2 1 298.430 3.577 20 0 CHADMP Cc1cc2cc(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)oc2cc1C ZINC000430137991 1122440409 /nfs/dbraw/zinc/44/04/09/1122440409.db2.gz XOAYYMBMFBRDGA-IBGZPJMESA-N 2 1 298.430 3.577 20 0 CHADMP Cc1cc2cc(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)oc2cc1C ZINC000430137991 1122440412 /nfs/dbraw/zinc/44/04/12/1122440412.db2.gz XOAYYMBMFBRDGA-IBGZPJMESA-N 2 1 298.430 3.577 20 0 CHADMP Cc1cc2cc(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)oc2cc1C ZINC000430137991 1122440425 /nfs/dbraw/zinc/44/04/25/1122440425.db2.gz XOAYYMBMFBRDGA-IBGZPJMESA-N 2 1 298.430 3.577 20 0 CHADMP CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCCC1 ZINC001167958201 1122441694 /nfs/dbraw/zinc/44/16/94/1122441694.db2.gz DHQLKVNJNRONOW-ALOPSCKCSA-N 2 1 276.468 3.562 20 0 CHADMP C[NH2+]CCC[N@H+]1CCCCC[C@H]1c1cccc(C)c1 ZINC000435872894 1122494934 /nfs/dbraw/zinc/49/49/34/1122494934.db2.gz SFFNQZBXLVMIRM-KRWDZBQOSA-N 2 1 260.425 3.522 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1)C1CC1 ZINC000436295666 1122533946 /nfs/dbraw/zinc/53/39/46/1122533946.db2.gz SENTUMZYSSAOTD-DLBZAZTESA-N 2 1 264.457 3.562 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1)C1CC1 ZINC000436295796 1122535021 /nfs/dbraw/zinc/53/50/21/1122535021.db2.gz SENTUMZYSSAOTD-SJORKVTESA-N 2 1 264.457 3.562 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000505821666 1122550606 /nfs/dbraw/zinc/55/06/06/1122550606.db2.gz ZMFFZVWAYWEXND-VVZAMHAXSA-N 2 1 284.447 3.649 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000505821666 1122550608 /nfs/dbraw/zinc/55/06/08/1122550608.db2.gz ZMFFZVWAYWEXND-VVZAMHAXSA-N 2 1 284.447 3.649 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000505821666 1122550612 /nfs/dbraw/zinc/55/06/12/1122550612.db2.gz ZMFFZVWAYWEXND-VVZAMHAXSA-N 2 1 284.447 3.649 20 0 CHADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000414179419 1129062718 /nfs/dbraw/zinc/06/27/18/1129062718.db2.gz KPJPZXPARJDJNG-HCXYKTFWSA-N 2 1 286.463 3.846 20 0 CHADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000414179419 1129062724 /nfs/dbraw/zinc/06/27/24/1129062724.db2.gz KPJPZXPARJDJNG-HCXYKTFWSA-N 2 1 286.463 3.846 20 0 CHADMP CC(C)[C@@H]1CCCC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC001191021149 1122565519 /nfs/dbraw/zinc/56/55/19/1122565519.db2.gz CDGGMETUEAIUSD-SFHVURJKSA-N 2 1 283.419 3.883 20 0 CHADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000414179421 1129063267 /nfs/dbraw/zinc/06/32/67/1129063267.db2.gz KPJPZXPARJDJNG-MKXGPGLRSA-N 2 1 286.463 3.846 20 0 CHADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000414179421 1129063273 /nfs/dbraw/zinc/06/32/73/1129063273.db2.gz KPJPZXPARJDJNG-MKXGPGLRSA-N 2 1 286.463 3.846 20 0 CHADMP C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC001191119779 1122574258 /nfs/dbraw/zinc/57/42/58/1122574258.db2.gz AXKDDXSLBYNUGC-KZNAEPCWSA-N 2 1 278.484 3.621 20 0 CHADMP C(=C/C1CC1)\C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716693192 1122636323 /nfs/dbraw/zinc/63/63/23/1122636323.db2.gz OPHFIYMBASPBLC-LEARLUKTSA-N 2 1 296.458 3.595 20 0 CHADMP C[C@H]1CC[N@@H+](CCCc2cccc(Cl)c2)CC[C@@H]1C[NH3+] ZINC001205601043 1122646543 /nfs/dbraw/zinc/64/65/43/1122646543.db2.gz CWPLBECKBJTFNH-GOEBONIOSA-N 2 1 294.870 3.579 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000438070564 1122672964 /nfs/dbraw/zinc/67/29/64/1122672964.db2.gz FCZOJMGWNZCQFR-RBUKOAKNSA-N 2 1 288.479 3.817 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2cc3ccccc3s2)CC[C@@H]1C[NH3+] ZINC001205618724 1122674405 /nfs/dbraw/zinc/67/44/05/1122674405.db2.gz YKMQGNXAEQXJTD-UKRRQHHQSA-N 2 1 288.460 3.708 20 0 CHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(F)c(Cl)c2)CC1 ZINC000506328606 1122719509 /nfs/dbraw/zinc/71/95/09/1122719509.db2.gz VTQKUCJIZFOZLC-UHFFFAOYSA-N 2 1 298.833 3.784 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(F)c(Cl)c2)CC1 ZINC000506328606 1122719513 /nfs/dbraw/zinc/71/95/13/1122719513.db2.gz VTQKUCJIZFOZLC-UHFFFAOYSA-N 2 1 298.833 3.784 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000506342146 1122720920 /nfs/dbraw/zinc/72/09/20/1122720920.db2.gz SBGPZBSZSYXSJQ-PKOBYXMFSA-N 2 1 286.463 3.595 20 0 CHADMP C[N@H+]1CC[C@H]2[C@H](CCCN2CC2CCC(C)(C)CC2)C1 ZINC000518442081 1122757731 /nfs/dbraw/zinc/75/77/31/1122757731.db2.gz SMNVAWRJPSOVSW-SJORKVTESA-N 2 1 278.484 3.619 20 0 CHADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2CC2CCC(C)(C)CC2)C1 ZINC000518442081 1122757734 /nfs/dbraw/zinc/75/77/34/1122757734.db2.gz SMNVAWRJPSOVSW-SJORKVTESA-N 2 1 278.484 3.619 20 0 CHADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2CC2CCC(C)(C)CC2)C1 ZINC000518442081 1122757736 /nfs/dbraw/zinc/75/77/36/1122757736.db2.gz SMNVAWRJPSOVSW-SJORKVTESA-N 2 1 278.484 3.619 20 0 CHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2CC2CCC(C)(C)CC2)C1 ZINC000518442081 1122757740 /nfs/dbraw/zinc/75/77/40/1122757740.db2.gz SMNVAWRJPSOVSW-SJORKVTESA-N 2 1 278.484 3.619 20 0 CHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2CC2CCC(C)(C)CC2)C1 ZINC000518442081 1122757742 /nfs/dbraw/zinc/75/77/42/1122757742.db2.gz SMNVAWRJPSOVSW-SJORKVTESA-N 2 1 278.484 3.619 20 0 CHADMP C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000439324351 1122772275 /nfs/dbraw/zinc/77/22/75/1122772275.db2.gz SDBJWVDVXZBDAE-NEWSRXKRSA-N 2 1 286.463 3.739 20 0 CHADMP C[C@@H]1C[C@@H](c2ccccc2)CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000439324351 1122772277 /nfs/dbraw/zinc/77/22/77/1122772277.db2.gz SDBJWVDVXZBDAE-NEWSRXKRSA-N 2 1 286.463 3.739 20 0 CHADMP C[C@@H]1C[C@@H](c2ccccc2)CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000439324351 1122772280 /nfs/dbraw/zinc/77/22/80/1122772280.db2.gz SDBJWVDVXZBDAE-NEWSRXKRSA-N 2 1 286.463 3.739 20 0 CHADMP C(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)CC1CCCC1 ZINC001167965504 1122811718 /nfs/dbraw/zinc/81/17/18/1122811718.db2.gz IJDHWPOGTUKSSC-YQQQUEKLSA-N 2 1 290.495 3.952 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cc2ccccc2[nH]1 ZINC000775627770 1122831471 /nfs/dbraw/zinc/83/14/71/1122831471.db2.gz OFDKAIJCSQACNB-KGLIPLIRSA-N 2 1 296.418 3.660 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2ccccc2C)[C@@H](C)C1 ZINC000440355869 1122839580 /nfs/dbraw/zinc/83/95/80/1122839580.db2.gz NSCZQIQDUZSDMI-PKOBYXMFSA-N 2 1 288.479 3.590 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2ccccc2C)[C@@H](C)C1 ZINC000440355865 1122839752 /nfs/dbraw/zinc/83/97/52/1122839752.db2.gz NSCZQIQDUZSDMI-HKUYNNGSSA-N 2 1 288.479 3.590 20 0 CHADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1C[C@@H]3CCCC[C@@H]3C1)C2 ZINC001167982826 1122903393 /nfs/dbraw/zinc/90/33/93/1122903393.db2.gz BNZZYJZUVOUFKD-MKAJOQBOSA-N 2 1 288.479 3.514 20 0 CHADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@H+]1C[C@@H]3CCCC[C@@H]3C1)C2 ZINC001167982826 1122903397 /nfs/dbraw/zinc/90/33/97/1122903397.db2.gz BNZZYJZUVOUFKD-MKAJOQBOSA-N 2 1 288.479 3.514 20 0 CHADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@@H+]1C[C@@H]3CCCC[C@@H]3C1)C2 ZINC001167982826 1122903399 /nfs/dbraw/zinc/90/33/99/1122903399.db2.gz BNZZYJZUVOUFKD-MKAJOQBOSA-N 2 1 288.479 3.514 20 0 CHADMP C[N@@H+](CCCCC(F)(F)F)CC[C@H]1CCCC[NH+]1C ZINC000154405861 1129087294 /nfs/dbraw/zinc/08/72/94/1129087294.db2.gz LZZSKIWNBCNJGX-CYBMUJFWSA-N 2 1 280.378 3.525 20 0 CHADMP C[NH+](CCCCC(F)(F)F)CC[C@H]1CCCC[N@@H+]1C ZINC000154405861 1129087298 /nfs/dbraw/zinc/08/72/98/1129087298.db2.gz LZZSKIWNBCNJGX-CYBMUJFWSA-N 2 1 280.378 3.525 20 0 CHADMP C[NH+](CCCCC(F)(F)F)CC[C@H]1CCCC[N@H+]1C ZINC000154405861 1129087302 /nfs/dbraw/zinc/08/73/02/1129087302.db2.gz LZZSKIWNBCNJGX-CYBMUJFWSA-N 2 1 280.378 3.525 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000160138521 1122940271 /nfs/dbraw/zinc/94/02/71/1122940271.db2.gz XWTJVODPGHWWLD-CQSZACIVSA-N 2 1 296.405 3.567 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(Cl)cc1C ZINC000129841786 1122945175 /nfs/dbraw/zinc/94/51/75/1122945175.db2.gz AUMHNJXKTOKFEB-UHFFFAOYSA-N 2 1 291.826 3.723 20 0 CHADMP c1cc(-c2ccccc2)sc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427131929 1122945441 /nfs/dbraw/zinc/94/54/41/1122945441.db2.gz XBBCXZGQTAHGKK-RDJZCZTQSA-N 2 1 298.455 3.599 20 0 CHADMP c1cc(-c2ccccc2)sc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427131929 1122945444 /nfs/dbraw/zinc/94/54/44/1122945444.db2.gz XBBCXZGQTAHGKK-RDJZCZTQSA-N 2 1 298.455 3.599 20 0 CHADMP CCc1cccnc1[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000507527763 1122963501 /nfs/dbraw/zinc/96/35/01/1122963501.db2.gz MYUBIRXMJHPPGS-GOEBONIOSA-N 2 1 291.483 3.661 20 0 CHADMP CC(C)c1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000668172905 1122978450 /nfs/dbraw/zinc/97/84/50/1122978450.db2.gz WKMXLFAIFJUMAH-MAUKXSAKSA-N 2 1 274.452 3.582 20 0 CHADMP CC(C)c1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000668172905 1122978455 /nfs/dbraw/zinc/97/84/55/1122978455.db2.gz WKMXLFAIFJUMAH-MAUKXSAKSA-N 2 1 274.452 3.582 20 0 CHADMP CC(C)c1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000668172905 1122978459 /nfs/dbraw/zinc/97/84/59/1122978459.db2.gz WKMXLFAIFJUMAH-MAUKXSAKSA-N 2 1 274.452 3.582 20 0 CHADMP CC(C)c1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000668172905 1122978463 /nfs/dbraw/zinc/97/84/63/1122978463.db2.gz WKMXLFAIFJUMAH-MAUKXSAKSA-N 2 1 274.452 3.582 20 0 CHADMP C[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)CC(C)(C)C ZINC000188030441 1123011831 /nfs/dbraw/zinc/01/18/31/1123011831.db2.gz KDAJYYFFZURNDK-RBSFLKMASA-N 2 1 254.462 3.521 20 0 CHADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@@H](C)SC1)[NH+]1CCCC1 ZINC001199144873 1123021484 /nfs/dbraw/zinc/02/14/84/1123021484.db2.gz YDHRDJMQTNSMPZ-OIISXLGYSA-N 2 1 298.540 3.761 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C[C@@H]2CCCC[C@H]2C)C1 ZINC001199329543 1123028010 /nfs/dbraw/zinc/02/80/10/1123028010.db2.gz VVCKYQNKHHRVCJ-XDNAFOTISA-N 2 1 280.500 3.770 20 0 CHADMP CC[C@H](F)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000440774565 1123037764 /nfs/dbraw/zinc/03/77/64/1123037764.db2.gz YFQFIKQKPJULGO-RDJZCZTQSA-N 2 1 284.463 3.711 20 0 CHADMP C[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001199761271 1123040611 /nfs/dbraw/zinc/04/06/11/1123040611.db2.gz WDZKNORLNQPJIX-WCXIOVBPSA-N 2 1 280.500 3.911 20 0 CHADMP CCCC1CCC(C[NH2+]CC[N@H+](CC)C(C)C)CC1 ZINC001199990772 1123050358 /nfs/dbraw/zinc/05/03/58/1123050358.db2.gz OGVLJMSUUCNPGR-UHFFFAOYSA-N 2 1 268.489 3.913 20 0 CHADMP CCCC1CCC(C[NH2+]CC[N@@H+](CC)C(C)C)CC1 ZINC001199990772 1123050363 /nfs/dbraw/zinc/05/03/63/1123050363.db2.gz OGVLJMSUUCNPGR-UHFFFAOYSA-N 2 1 268.489 3.913 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1csc2ccccc12 ZINC000105443170 1123052613 /nfs/dbraw/zinc/05/26/13/1123052613.db2.gz QVWHRHZVEONYBZ-ZDUSSCGKSA-N 2 1 299.443 3.832 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205902015 1123060258 /nfs/dbraw/zinc/06/02/58/1123060258.db2.gz GUTUPTJRPZWDIZ-YESZJQIVSA-N 2 1 266.473 3.818 20 0 CHADMP Cc1cccc(C)c1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441371334 1123081963 /nfs/dbraw/zinc/08/19/63/1123081963.db2.gz TVLZOJRLJIDNKJ-QGZVFWFLSA-N 2 1 274.452 3.610 20 0 CHADMP Cc1cccc(C)c1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441371334 1123081967 /nfs/dbraw/zinc/08/19/67/1123081967.db2.gz TVLZOJRLJIDNKJ-QGZVFWFLSA-N 2 1 274.452 3.610 20 0 CHADMP Cc1cccc(C)c1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441371334 1123081970 /nfs/dbraw/zinc/08/19/70/1123081970.db2.gz TVLZOJRLJIDNKJ-QGZVFWFLSA-N 2 1 274.452 3.610 20 0 CHADMP C(C1CC1)[N@H+]1CCCC12CC[NH+](CC1CCCCC1)CC2 ZINC001201390534 1123095615 /nfs/dbraw/zinc/09/56/15/1123095615.db2.gz XPEPOYYWOGQDLK-UHFFFAOYSA-N 2 1 290.495 3.907 20 0 CHADMP CCc1ccc(C)[nH+]c1Nc1cccc(C[NH+](C)C)c1 ZINC001201384875 1123095655 /nfs/dbraw/zinc/09/56/55/1123095655.db2.gz QNLUJKMCBDLPGI-UHFFFAOYSA-N 2 1 269.392 3.758 20 0 CHADMP C[C@@H]1[C@@H](C)CCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995455 1123107178 /nfs/dbraw/zinc/10/71/78/1123107178.db2.gz GGICYWNGBWVFPM-PJFKJEBRSA-N 2 1 276.468 3.512 20 0 CHADMP C[C@@H]1[C@@H](C)CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995455 1123107179 /nfs/dbraw/zinc/10/71/79/1123107179.db2.gz GGICYWNGBWVFPM-PJFKJEBRSA-N 2 1 276.468 3.512 20 0 CHADMP C[C@@H]1[C@@H](C)CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995455 1123107181 /nfs/dbraw/zinc/10/71/81/1123107181.db2.gz GGICYWNGBWVFPM-PJFKJEBRSA-N 2 1 276.468 3.512 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000268814226 1129100497 /nfs/dbraw/zinc/10/04/97/1129100497.db2.gz NDHIRHKOKPIOFT-CYBMUJFWSA-N 2 1 283.375 3.597 20 0 CHADMP Cc1c(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)ccc(F)c1F ZINC001206598768 1129101418 /nfs/dbraw/zinc/10/14/18/1129101418.db2.gz MLAFVPDQFFMQRJ-OAHLLOKOSA-N 2 1 296.405 3.626 20 0 CHADMP CCCCCC[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001201754876 1123146123 /nfs/dbraw/zinc/14/61/23/1123146123.db2.gz LINVWPHZSADQRA-QGZVFWFLSA-N 2 1 266.473 3.907 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@@H+]1C[C@H]2[C@H](C1)CCCN2C ZINC001201981714 1123160796 /nfs/dbraw/zinc/16/07/96/1123160796.db2.gz QXCSBLZVSZJDJW-BZSNNMDCSA-N 2 1 278.484 3.785 20 0 CHADMP CCCCCC[C@@H]1CCC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000776266352 1123194855 /nfs/dbraw/zinc/19/48/55/1123194855.db2.gz UBFFBVSIUZCIIJ-WBVHZDCISA-N 2 1 277.456 3.691 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)c(C)c2)C[C@H]1C ZINC000507812445 1123219093 /nfs/dbraw/zinc/21/90/93/1123219093.db2.gz HNISFKPZLGWSKH-GDBMZVCRSA-N 2 1 294.870 3.953 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)c(C)c2)C[C@H]1C ZINC000507812445 1123219096 /nfs/dbraw/zinc/21/90/96/1123219096.db2.gz HNISFKPZLGWSKH-GDBMZVCRSA-N 2 1 294.870 3.953 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)c(C)c2)C[C@H]1C ZINC000507812445 1123219099 /nfs/dbraw/zinc/21/90/99/1123219099.db2.gz HNISFKPZLGWSKH-GDBMZVCRSA-N 2 1 294.870 3.953 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)c(C)c2)C[C@H]1C ZINC000507812445 1123219103 /nfs/dbraw/zinc/21/91/03/1123219103.db2.gz HNISFKPZLGWSKH-GDBMZVCRSA-N 2 1 294.870 3.953 20 0 CHADMP Cc1cc(C)cc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000665245711 1123252631 /nfs/dbraw/zinc/25/26/31/1123252631.db2.gz PRZGVJUOWUTTIU-ROUUACIJSA-N 2 1 266.388 3.538 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000508188775 1123268863 /nfs/dbraw/zinc/26/88/63/1123268863.db2.gz AQRAMSDKRBPLHZ-GOSISDBHSA-N 2 1 274.452 3.864 20 0 CHADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)c2ccccc21 ZINC000521225889 1123312442 /nfs/dbraw/zinc/31/24/42/1123312442.db2.gz GKJXQGYIAANPLB-SQNIBIBYSA-N 2 1 282.362 3.547 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000271870230 1129115584 /nfs/dbraw/zinc/11/55/84/1129115584.db2.gz MKCVPAHSUUHQDW-QGZVFWFLSA-N 2 1 290.838 3.643 20 0 CHADMP Cc1ccc(CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000272250259 1129117241 /nfs/dbraw/zinc/11/72/41/1129117241.db2.gz YHQCMFFOBLEEEL-FUHWJXTLSA-N 2 1 298.430 3.588 20 0 CHADMP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000272250259 1129117244 /nfs/dbraw/zinc/11/72/44/1129117244.db2.gz YHQCMFFOBLEEEL-FUHWJXTLSA-N 2 1 298.430 3.588 20 0 CHADMP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000272250259 1129117247 /nfs/dbraw/zinc/11/72/47/1129117247.db2.gz YHQCMFFOBLEEEL-FUHWJXTLSA-N 2 1 298.430 3.588 20 0 CHADMP Cc1ccoc1CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272211129 1129117259 /nfs/dbraw/zinc/11/72/59/1129117259.db2.gz QEPDLXNGXKXEMA-WMZOPIPTSA-N 2 1 298.430 3.588 20 0 CHADMP Cc1ccoc1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272211129 1129117261 /nfs/dbraw/zinc/11/72/61/1129117261.db2.gz QEPDLXNGXKXEMA-WMZOPIPTSA-N 2 1 298.430 3.588 20 0 CHADMP Cc1ccoc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272211129 1129117262 /nfs/dbraw/zinc/11/72/62/1129117262.db2.gz QEPDLXNGXKXEMA-WMZOPIPTSA-N 2 1 298.430 3.588 20 0 CHADMP CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000443413254 1123398035 /nfs/dbraw/zinc/39/80/35/1123398035.db2.gz FPSLWHXLJDUTJS-JYJNAYRXSA-N 2 1 273.424 3.582 20 0 CHADMP CCC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCC)C1)c1ccsc1 ZINC000191215690 1123399230 /nfs/dbraw/zinc/39/92/30/1123399230.db2.gz QOBVXISGHKQCFB-GDBMZVCRSA-N 2 1 280.481 3.911 20 0 CHADMP CC[C@@H](C[NH2+][C@@H](C)C1CCC(F)(F)CC1)[NH+]1CCCC1 ZINC000474058986 1123406856 /nfs/dbraw/zinc/40/68/56/1123406856.db2.gz OKLPMLUSVUEAPC-ZFWWWQNUSA-N 2 1 288.426 3.664 20 0 CHADMP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157120124 1129121927 /nfs/dbraw/zinc/12/19/27/1129121927.db2.gz NGHJARKRNMOHHV-QAPCUYQASA-N 2 1 290.426 3.837 20 0 CHADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157120124 1129121929 /nfs/dbraw/zinc/12/19/29/1129121929.db2.gz NGHJARKRNMOHHV-QAPCUYQASA-N 2 1 290.426 3.837 20 0 CHADMP COc1c(C)cc([C@H](C)[NH2+]CC2([NH3+])CCCC2)cc1Cl ZINC000854221963 1123478124 /nfs/dbraw/zinc/47/81/24/1123478124.db2.gz BCXWVSYJKLWASJ-LBPRGKRZSA-N 2 1 296.842 3.579 20 0 CHADMP CC(C)[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(F)cc1F ZINC000634682057 1129125277 /nfs/dbraw/zinc/12/52/77/1129125277.db2.gz GRAJHZAXWPYDKQ-QGZVFWFLSA-N 2 1 294.389 3.513 20 0 CHADMP CC(C)C[C@H](C[N@H+]1CC[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000474277476 1123500455 /nfs/dbraw/zinc/50/04/55/1123500455.db2.gz SYQMHLRIYPZEAR-IEBWSBKVSA-N 2 1 288.479 3.700 20 0 CHADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000313870180 1129129241 /nfs/dbraw/zinc/12/92/41/1129129241.db2.gz QSRIHCMKEZARSW-HNAYVOBHSA-N 2 1 280.415 3.586 20 0 CHADMP CC(C)[N@H+](C)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168039663 1123560338 /nfs/dbraw/zinc/56/03/38/1123560338.db2.gz GXGQPHQBRPZHQE-HZPDHXFCSA-N 2 1 274.452 3.768 20 0 CHADMP CC(C)[N@@H+](C)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168039663 1123560341 /nfs/dbraw/zinc/56/03/41/1123560341.db2.gz GXGQPHQBRPZHQE-HZPDHXFCSA-N 2 1 274.452 3.768 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](c2ccccc2)C(C)C)C1 ZINC000474633563 1123562801 /nfs/dbraw/zinc/56/28/01/1123562801.db2.gz ZEBDNFBZAIHXDV-MJGOQNOKSA-N 2 1 288.479 3.748 20 0 CHADMP CC(C)Cc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000429539666 1123572176 /nfs/dbraw/zinc/57/21/76/1123572176.db2.gz KLITZEURRMEVAN-LJQANCHMSA-N 2 1 288.479 3.801 20 0 CHADMP CC(C)C[C@@H](C[NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000474878146 1123607242 /nfs/dbraw/zinc/60/72/42/1123607242.db2.gz IUQZTGIRUUQJCG-IBGZPJMESA-N 2 1 286.463 3.668 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)CS1 ZINC000655691302 1123631492 /nfs/dbraw/zinc/63/14/92/1123631492.db2.gz SQNBMPPGZFDEAK-BZUAXINKSA-N 2 1 284.513 3.515 20 0 CHADMP C[C@H]([NH2+]C1CC(C)(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000395279773 1123655249 /nfs/dbraw/zinc/65/52/49/1123655249.db2.gz BPWGJWZXSIYWBL-RDJZCZTQSA-N 2 1 286.463 3.675 20 0 CHADMP CCC[N@H+](CCn1cc[nH+]c1C)[C@@H]1CCc2ccccc21 ZINC000346323206 1123678625 /nfs/dbraw/zinc/67/86/25/1123678625.db2.gz KCRRCGBBBUEIRT-GOSISDBHSA-N 2 1 283.419 3.591 20 0 CHADMP CCC[N@@H+](CCn1cc[nH+]c1C)[C@@H]1CCc2ccccc21 ZINC000346323206 1123678628 /nfs/dbraw/zinc/67/86/28/1123678628.db2.gz KCRRCGBBBUEIRT-GOSISDBHSA-N 2 1 283.419 3.591 20 0 CHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859929583 1123715384 /nfs/dbraw/zinc/71/53/84/1123715384.db2.gz CFINOEUTPGOGMG-ZGXWSNOMSA-N 2 1 298.474 3.596 20 0 CHADMP CCSc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000158157350 1129140512 /nfs/dbraw/zinc/14/05/12/1129140512.db2.gz XTKNUAQTOFUNLM-HUUCEWRRSA-N 2 1 292.492 3.791 20 0 CHADMP CC(C)C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccs1 ZINC000158204907 1129141400 /nfs/dbraw/zinc/14/14/00/1129141400.db2.gz LGIOUCIZMVHHIP-CABCVRRESA-N 2 1 280.481 3.767 20 0 CHADMP CC(C)C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccs1 ZINC000158204907 1129141402 /nfs/dbraw/zinc/14/14/02/1129141402.db2.gz LGIOUCIZMVHHIP-CABCVRRESA-N 2 1 280.481 3.767 20 0 CHADMP CSc1ccccc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000281885523 1123748051 /nfs/dbraw/zinc/74/80/51/1123748051.db2.gz ANRILCCRSQQLAN-KGLIPLIRSA-N 2 1 278.465 3.543 20 0 CHADMP C[C@@H](c1cccs1)[N@H+](C)CCC[NH+]1CCCCC1 ZINC000193472936 1123757907 /nfs/dbraw/zinc/75/79/07/1123757907.db2.gz PIHBXOAVNGWDFZ-AWEZNQCLSA-N 2 1 266.454 3.617 20 0 CHADMP C[C@@H](c1cccs1)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000193472936 1123757911 /nfs/dbraw/zinc/75/79/11/1123757911.db2.gz PIHBXOAVNGWDFZ-AWEZNQCLSA-N 2 1 266.454 3.617 20 0 CHADMP CCC[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccccn1 ZINC000158509113 1129146216 /nfs/dbraw/zinc/14/62/16/1129146216.db2.gz HHWHPLFDDCINEC-QGZVFWFLSA-N 2 1 289.467 3.634 20 0 CHADMP CC1(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000475216111 1123825298 /nfs/dbraw/zinc/82/52/98/1123825298.db2.gz MZAVGQOSRDDNKX-GUDVDZBRSA-N 2 1 298.474 3.677 20 0 CHADMP CC1(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000475216110 1123826091 /nfs/dbraw/zinc/82/60/91/1123826091.db2.gz MZAVGQOSRDDNKX-GBESFXJTSA-N 2 1 298.474 3.677 20 0 CHADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158615113 1129148317 /nfs/dbraw/zinc/14/83/17/1129148317.db2.gz HUYHVOSHDQWKSS-KZNAEPCWSA-N 2 1 272.436 3.554 20 0 CHADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158615113 1129148320 /nfs/dbraw/zinc/14/83/20/1129148320.db2.gz HUYHVOSHDQWKSS-KZNAEPCWSA-N 2 1 272.436 3.554 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000475333518 1123842388 /nfs/dbraw/zinc/84/23/88/1123842388.db2.gz JCZNDKMZYHISFV-FAEJEUNOSA-N 2 1 274.452 3.561 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000475334105 1123845675 /nfs/dbraw/zinc/84/56/75/1123845675.db2.gz MVERTEVCJQHBAW-BZOOQXSSSA-N 2 1 294.870 3.906 20 0 CHADMP CCC[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc(C)ccn1 ZINC000631651911 1123851413 /nfs/dbraw/zinc/85/14/13/1123851413.db2.gz NFHKKIXXXXEBGS-IAGOWNOFSA-N 2 1 289.467 3.553 20 0 CHADMP CCC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(C)ccn1 ZINC000631651911 1123851417 /nfs/dbraw/zinc/85/14/17/1123851417.db2.gz NFHKKIXXXXEBGS-IAGOWNOFSA-N 2 1 289.467 3.553 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC000037643638 1129151704 /nfs/dbraw/zinc/15/17/04/1129151704.db2.gz SMVFVMPBMKWCCA-IVMQYODDSA-N 2 1 286.463 3.644 20 0 CHADMP CC[NH+](CC)[C@@H](CNc1cc[nH+]cc1Cl)c1ccco1 ZINC000301500030 1123905525 /nfs/dbraw/zinc/90/55/25/1123905525.db2.gz FOCWPYZPEULQMX-AWEZNQCLSA-N 2 1 293.798 3.823 20 0 CHADMP Clc1c[nH+]ccc1NC1CC[NH+](CC2CCCC2)CC1 ZINC000301546007 1123909832 /nfs/dbraw/zinc/90/98/32/1123909832.db2.gz WTCABDMEXZUANE-UHFFFAOYSA-N 2 1 293.842 3.802 20 0 CHADMP C[NH+](C)[C@@H]1CCC[C@H](Nc2cc[nH+]c3ccsc32)C1 ZINC000301596491 1123915994 /nfs/dbraw/zinc/91/59/94/1123915994.db2.gz SIKFLYIXJQLWLH-NWDGAFQWSA-N 2 1 275.421 3.581 20 0 CHADMP Cc1cc[nH+]c(NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000301618741 1123918125 /nfs/dbraw/zinc/91/81/25/1123918125.db2.gz BNBMSUGADQIQMF-HOTGVXAUSA-N 2 1 275.440 3.560 20 0 CHADMP Cc1cc[nH+]c(NC2CCC([NH+]3CCCCC3)CC2)c1 ZINC000301633035 1123919743 /nfs/dbraw/zinc/91/97/43/1123919743.db2.gz JTWMREKTMNOAND-UHFFFAOYSA-N 2 1 273.424 3.599 20 0 CHADMP Cc1[nH]c2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2c1C ZINC000339071889 1123971634 /nfs/dbraw/zinc/97/16/34/1123971634.db2.gz UVWHKJUZRMXENV-SJORKVTESA-N 2 1 297.446 3.501 20 0 CHADMP C[N@@H+]1CC[C@H](Nc2cc[nH+]cc2Cl)[C@H]1c1ccccc1 ZINC000302834241 1123985561 /nfs/dbraw/zinc/98/55/61/1123985561.db2.gz SXTDCHVUZIYNEG-JKSUJKDBSA-N 2 1 287.794 3.592 20 0 CHADMP C[N@H+]1CC[C@H](Nc2cc[nH+]cc2Cl)[C@H]1c1ccccc1 ZINC000302834241 1123985566 /nfs/dbraw/zinc/98/55/66/1123985566.db2.gz SXTDCHVUZIYNEG-JKSUJKDBSA-N 2 1 287.794 3.592 20 0 CHADMP CC(C)[NH+](CCC[NH2+][C@@H]1CCCc2ncccc21)C(C)C ZINC000631586891 1124014758 /nfs/dbraw/zinc/01/47/58/1124014758.db2.gz ZPYGFCHRNIOSAJ-GOSISDBHSA-N 2 1 289.467 3.558 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CC[C@H](C)c2ccccc2)C1 ZINC000249043333 1124029634 /nfs/dbraw/zinc/02/96/34/1124029634.db2.gz VJBXALKRSQCTAC-ROUUACIJSA-N 2 1 288.479 3.890 20 0 CHADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(C(F)(F)F)s1)C[NH+](C)C ZINC000717985866 1129164655 /nfs/dbraw/zinc/16/46/55/1129164655.db2.gz UZBAPBKVJYEHSA-UWVGGRQHSA-N 2 1 294.386 3.615 20 0 CHADMP CCCc1ccc(C[NH2+]CCCCn2cc[nH+]c2C)s1 ZINC000621337602 1129164923 /nfs/dbraw/zinc/16/49/23/1129164923.db2.gz DNVIXYFYNRJNLT-UHFFFAOYSA-N 2 1 291.464 3.776 20 0 CHADMP Cc1ccc2[nH+]ccc(N3CCC4(CCC[N@@H+]4C)CC3)c2c1 ZINC000445597755 1124093093 /nfs/dbraw/zinc/09/30/93/1124093093.db2.gz STLKPMLMYRKUOE-UHFFFAOYSA-N 2 1 295.430 3.608 20 0 CHADMP C[N@@H+](CCC(C)(C)C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000525268960 1124121125 /nfs/dbraw/zinc/12/11/25/1124121125.db2.gz SOUUFYWUFRKSRK-GOSISDBHSA-N 2 1 288.479 3.877 20 0 CHADMP C[NH+](CCC(C)(C)C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000525268960 1124121127 /nfs/dbraw/zinc/12/11/27/1124121127.db2.gz SOUUFYWUFRKSRK-GOSISDBHSA-N 2 1 288.479 3.877 20 0 CHADMP C[NH+](CCC(C)(C)C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000525268960 1124121128 /nfs/dbraw/zinc/12/11/28/1124121128.db2.gz SOUUFYWUFRKSRK-GOSISDBHSA-N 2 1 288.479 3.877 20 0 CHADMP C[C@H](CC[N@H+]1CCCC12CC[NH+](C)CC2)c1ccccc1 ZINC000446793433 1124122756 /nfs/dbraw/zinc/12/27/56/1124122756.db2.gz DSWSIXIULWELGY-QGZVFWFLSA-N 2 1 286.463 3.740 20 0 CHADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000447067847 1124132356 /nfs/dbraw/zinc/13/23/56/1124132356.db2.gz MFTCBDZQRSQBOW-MRXNPFEDSA-N 2 1 286.419 3.590 20 0 CHADMP CCCc1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)s1 ZINC000621360037 1129172099 /nfs/dbraw/zinc/17/20/99/1129172099.db2.gz CVZAFANOYFVRCJ-UHFFFAOYSA-N 2 1 280.481 3.665 20 0 CHADMP CC1(C)CCC[C@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001258281723 1129174577 /nfs/dbraw/zinc/17/45/77/1129174577.db2.gz OYEMZFAAEUDXAP-ULQDDVLXSA-N 2 1 278.484 3.937 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(Cl)c1 ZINC000447315234 1124463103 /nfs/dbraw/zinc/46/31/03/1124463103.db2.gz YEIRSJBATOVRPC-RDJZCZTQSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(Cl)c1 ZINC000447315234 1124463107 /nfs/dbraw/zinc/46/31/07/1124463107.db2.gz YEIRSJBATOVRPC-RDJZCZTQSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(Cl)c1 ZINC000447315234 1124463110 /nfs/dbraw/zinc/46/31/10/1124463110.db2.gz YEIRSJBATOVRPC-RDJZCZTQSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(Cl)c1 ZINC000447315234 1124463114 /nfs/dbraw/zinc/46/31/14/1124463114.db2.gz YEIRSJBATOVRPC-RDJZCZTQSA-N 2 1 292.854 3.565 20 0 CHADMP CC1(C)C[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447580607 1124496944 /nfs/dbraw/zinc/49/69/44/1124496944.db2.gz PFSZPGCFOWPWAN-ZJPYXAASSA-N 2 1 284.447 3.570 20 0 CHADMP CC1(C)C[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447580606 1124498132 /nfs/dbraw/zinc/49/81/32/1124498132.db2.gz PFSZPGCFOWPWAN-XMTFNYHQSA-N 2 1 284.447 3.570 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H](C)c2ccccc2)C[C@@H]1C ZINC000447720522 1124518492 /nfs/dbraw/zinc/51/84/92/1124518492.db2.gz BZPQDVGCJNFMHR-AOIWGVFYSA-N 2 1 288.479 3.985 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H](C)c2ccccc2)C[C@@H]1C ZINC000447720522 1124518498 /nfs/dbraw/zinc/51/84/98/1124518498.db2.gz BZPQDVGCJNFMHR-AOIWGVFYSA-N 2 1 288.479 3.985 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H](C)c2ccccc2)C[C@@H]1C ZINC000447720522 1124518499 /nfs/dbraw/zinc/51/84/99/1124518499.db2.gz BZPQDVGCJNFMHR-AOIWGVFYSA-N 2 1 288.479 3.985 20 0 CHADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(C)c(Cl)c2)CC1 ZINC000447793616 1124527830 /nfs/dbraw/zinc/52/78/30/1124527830.db2.gz DMZHNKCGYYGQTL-UHFFFAOYSA-N 2 1 280.843 3.565 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C)c(Cl)c2)CC1 ZINC000447793616 1124527833 /nfs/dbraw/zinc/52/78/33/1124527833.db2.gz DMZHNKCGYYGQTL-UHFFFAOYSA-N 2 1 280.843 3.565 20 0 CHADMP CCC1([NH+]2CCCC2)CC[NH+](CCCC(F)(F)F)CC1 ZINC001119960739 1131267931 /nfs/dbraw/zinc/26/79/31/1131267931.db2.gz RRQZTYOMFLXNFL-UHFFFAOYSA-N 2 1 292.389 3.669 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc3ccoc32)C1 ZINC000449028255 1124634474 /nfs/dbraw/zinc/63/44/74/1124634474.db2.gz KUYHXANLEMTEPZ-OAHLLOKOSA-N 2 1 286.419 3.597 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3ccoc32)[C@@H](C)C1 ZINC000449027085 1124635099 /nfs/dbraw/zinc/63/50/99/1124635099.db2.gz HCKQRLRQZMQEHX-WMLDXEAASA-N 2 1 286.419 3.595 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3ccoc32)[C@@H](C)C1 ZINC000449027085 1124635100 /nfs/dbraw/zinc/63/51/00/1124635100.db2.gz HCKQRLRQZMQEHX-WMLDXEAASA-N 2 1 286.419 3.595 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3ccoc32)[C@@H](C)C1 ZINC000449027085 1124635101 /nfs/dbraw/zinc/63/51/01/1124635101.db2.gz HCKQRLRQZMQEHX-WMLDXEAASA-N 2 1 286.419 3.595 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)C1CCCC1 ZINC000449131480 1124652688 /nfs/dbraw/zinc/65/26/88/1124652688.db2.gz MWQNCTFPHVVARM-NVXWUHKLSA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc3ccoc32)C1 ZINC000449132730 1124654253 /nfs/dbraw/zinc/65/42/53/1124654253.db2.gz VZQIATQUXQZVLX-HNNXBMFYSA-N 2 1 286.419 3.643 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)C1CCC1 ZINC000449212462 1124670678 /nfs/dbraw/zinc/67/06/78/1124670678.db2.gz SQJPIBFIPBLMTE-RDJZCZTQSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1ccc(Cl)c(Cl)c1 ZINC001246097225 1131310720 /nfs/dbraw/zinc/31/07/20/1131310720.db2.gz XNNXTWXFJHGQJS-HOSYDEDBSA-N 2 1 287.234 3.785 20 0 CHADMP CC(C)C[C@@H](C)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561054 1124803048 /nfs/dbraw/zinc/80/30/48/1124803048.db2.gz RSIZCMVTOYCAKK-OZSLIKBDSA-N 2 1 266.473 3.662 20 0 CHADMP CC[C@H](C)[C@H](C)[N@H+](CCCCn1cc[nH+]c1C)C1CC1 ZINC000120690474 1124967312 /nfs/dbraw/zinc/96/73/12/1124967312.db2.gz UGSNCYNWMJROPE-GJZGRUSLSA-N 2 1 277.456 3.871 20 0 CHADMP CC[C@H](C)[C@H](C)[N@@H+](CCCCn1cc[nH+]c1C)C1CC1 ZINC000120690474 1124967317 /nfs/dbraw/zinc/96/73/17/1124967317.db2.gz UGSNCYNWMJROPE-GJZGRUSLSA-N 2 1 277.456 3.871 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000529526175 1124984156 /nfs/dbraw/zinc/98/41/56/1124984156.db2.gz HUCYEESIIRRJAK-UHFFFAOYSA-N 2 1 299.462 3.720 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000450461301 1125028317 /nfs/dbraw/zinc/02/83/17/1125028317.db2.gz ALYOVLHHQPAIGZ-INIZCTEOSA-N 2 1 294.870 3.546 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000450461301 1125028324 /nfs/dbraw/zinc/02/83/24/1125028324.db2.gz ALYOVLHHQPAIGZ-INIZCTEOSA-N 2 1 294.870 3.546 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000450461301 1125028332 /nfs/dbraw/zinc/02/83/32/1125028332.db2.gz ALYOVLHHQPAIGZ-INIZCTEOSA-N 2 1 294.870 3.546 20 0 CHADMP Cc1c(Cl)cccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000877517311 1125038925 /nfs/dbraw/zinc/03/89/25/1125038925.db2.gz LRDASQJBWOZYOZ-XYPWUTKMSA-N 2 1 292.854 3.705 20 0 CHADMP Cc1c(Cl)cccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000877517311 1125038928 /nfs/dbraw/zinc/03/89/28/1125038928.db2.gz LRDASQJBWOZYOZ-XYPWUTKMSA-N 2 1 292.854 3.705 20 0 CHADMP Cc1c(Cl)cccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000877517311 1125038936 /nfs/dbraw/zinc/03/89/36/1125038936.db2.gz LRDASQJBWOZYOZ-XYPWUTKMSA-N 2 1 292.854 3.705 20 0 CHADMP C1=C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000877623916 1125055638 /nfs/dbraw/zinc/05/56/38/1125055638.db2.gz DZNZSDFINOQJQF-YQVWRLOYSA-N 2 1 282.431 3.663 20 0 CHADMP C1=C[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000877623916 1125055648 /nfs/dbraw/zinc/05/56/48/1125055648.db2.gz DZNZSDFINOQJQF-YQVWRLOYSA-N 2 1 282.431 3.663 20 0 CHADMP C([N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C12CCC(CC1)C2 ZINC000450596250 1125067224 /nfs/dbraw/zinc/06/72/24/1125067224.db2.gz FUFDDXQRUOGKNE-YDXUJSMASA-N 2 1 288.479 3.515 20 0 CHADMP C([N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C12CCC(CC1)C2 ZINC000450596250 1125067227 /nfs/dbraw/zinc/06/72/27/1125067227.db2.gz FUFDDXQRUOGKNE-YDXUJSMASA-N 2 1 288.479 3.515 20 0 CHADMP C([NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C12CCC(CC1)C2 ZINC000450596250 1125067231 /nfs/dbraw/zinc/06/72/31/1125067231.db2.gz FUFDDXQRUOGKNE-YDXUJSMASA-N 2 1 288.479 3.515 20 0 CHADMP C([NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C12CCC(CC1)C2 ZINC000450596250 1125067234 /nfs/dbraw/zinc/06/72/34/1125067234.db2.gz FUFDDXQRUOGKNE-YDXUJSMASA-N 2 1 288.479 3.515 20 0 CHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C=CCCC1 ZINC000390982514 1125119319 /nfs/dbraw/zinc/11/93/19/1125119319.db2.gz WGLQLVGXYULVLF-RTBURBONSA-N 2 1 298.474 3.985 20 0 CHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C=CCCC1 ZINC000390982514 1125119322 /nfs/dbraw/zinc/11/93/22/1125119322.db2.gz WGLQLVGXYULVLF-RTBURBONSA-N 2 1 298.474 3.985 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H](C(C)(C)C)CC2)CC1 ZINC000392236902 1125142469 /nfs/dbraw/zinc/14/24/69/1125142469.db2.gz GSJAEXKVXADGFT-IAGOWNOFSA-N 2 1 278.484 3.833 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCC[C@H]2C2CCCCC2)CC1 ZINC000392232360 1125142685 /nfs/dbraw/zinc/14/26/85/1125142685.db2.gz SMNKLKLADPSHLR-RBUKOAKNSA-N 2 1 290.495 3.977 20 0 CHADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCc1c[nH+]cn1C)CCC2 ZINC000530407403 1125151812 /nfs/dbraw/zinc/15/18/12/1125151812.db2.gz FNCGRUOXJAUYEW-LJQANCHMSA-N 2 1 297.446 3.753 20 0 CHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000530460193 1125155080 /nfs/dbraw/zinc/15/50/80/1125155080.db2.gz TXTYWSKTOPZIGU-QZTJIDSGSA-N 2 1 297.446 3.669 20 0 CHADMP CC[N@@H+]1CC[C@H](C[NH2+]C(c2ccccc2)c2ccccc2)C1 ZINC000193494264 1125198488 /nfs/dbraw/zinc/19/84/88/1125198488.db2.gz WBVHWFMKYVNIOZ-QGZVFWFLSA-N 2 1 294.442 3.707 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+]C(c2ccccc2)c2ccccc2)C1 ZINC000193494264 1125198490 /nfs/dbraw/zinc/19/84/90/1125198490.db2.gz WBVHWFMKYVNIOZ-QGZVFWFLSA-N 2 1 294.442 3.707 20 0 CHADMP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000532227294 1125242728 /nfs/dbraw/zinc/24/27/28/1125242728.db2.gz CFSSENUIMIKXAD-DOTOQJQBSA-N 2 1 266.473 3.667 20 0 CHADMP Cc1cc(-n2ccnc2)ccc1CN1Cc2ccccc2C1 ZINC000192011713 1125330339 /nfs/dbraw/zinc/33/03/39/1125330339.db2.gz GYKPXCNNWSDVSX-UHFFFAOYSA-N 2 1 289.382 3.697 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000398044368 1125332682 /nfs/dbraw/zinc/33/26/82/1125332682.db2.gz UVHLUOUCHQZIKH-QWFCFKBJSA-N 2 1 298.474 3.843 20 0 CHADMP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@@H]1C ZINC000321948424 1125335523 /nfs/dbraw/zinc/33/55/23/1125335523.db2.gz WIZIUYUNGCWGKJ-SNRMKQJTSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@H]([NH2+][C@H]1CCCC2(CC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000883216727 1125379423 /nfs/dbraw/zinc/37/94/23/1125379423.db2.gz VNYFDJXGAMBIHW-ULQDDVLXSA-N 2 1 290.495 3.952 20 0 CHADMP CCSc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000883245070 1125383122 /nfs/dbraw/zinc/38/31/22/1125383122.db2.gz CZHQWBXMQRELRJ-MQVJKMGUSA-N 2 1 290.476 3.513 20 0 CHADMP C/C=C\C[C@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000626164226 1125385156 /nfs/dbraw/zinc/38/51/56/1125385156.db2.gz ZDRIOEACSMRDBR-LIMHQNJXSA-N 2 1 275.440 3.650 20 0 CHADMP C/C=C\C[C@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000626164226 1125385158 /nfs/dbraw/zinc/38/51/58/1125385158.db2.gz ZDRIOEACSMRDBR-LIMHQNJXSA-N 2 1 275.440 3.650 20 0 CHADMP CC[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000532446406 1125387637 /nfs/dbraw/zinc/38/76/37/1125387637.db2.gz WSZYPMPIJQSSRW-JKSUJKDBSA-N 2 1 274.452 3.949 20 0 CHADMP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040622056 1125388886 /nfs/dbraw/zinc/38/88/86/1125388886.db2.gz RCRYLDLUSLMNLT-HRCADAONSA-N 2 1 254.462 3.521 20 0 CHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3)CC[C@@H]21 ZINC000532536501 1125408834 /nfs/dbraw/zinc/40/88/34/1125408834.db2.gz OAGMSUNIGKRZAT-UXHICEINSA-N 2 1 294.442 3.756 20 0 CHADMP Cc1cc(C)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)c1 ZINC000532538399 1125410200 /nfs/dbraw/zinc/41/02/00/1125410200.db2.gz YRGWQLKGTCHGAJ-HKUYNNGSSA-N 2 1 286.463 3.528 20 0 CHADMP Cc1cc(C)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(C)c1 ZINC000532538399 1125410202 /nfs/dbraw/zinc/41/02/02/1125410202.db2.gz YRGWQLKGTCHGAJ-HKUYNNGSSA-N 2 1 286.463 3.528 20 0 CHADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883439501 1125410199 /nfs/dbraw/zinc/41/01/99/1125410199.db2.gz SWOSLCDSEHCTOL-UKRRQHHQSA-N 2 1 288.426 3.509 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(C)c1 ZINC000532538399 1125410205 /nfs/dbraw/zinc/41/02/05/1125410205.db2.gz YRGWQLKGTCHGAJ-HKUYNNGSSA-N 2 1 286.463 3.528 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)s1 ZINC000132055888 1125414017 /nfs/dbraw/zinc/41/40/17/1125414017.db2.gz OAEWESSSOOHQJH-TUKIKUTGSA-N 2 1 272.417 3.852 20 0 CHADMP Cc1cccc(N(C2CC[NH2+]CC2)C2CCC(C)CC2)[nH+]1 ZINC001168224366 1125420167 /nfs/dbraw/zinc/42/01/67/1125420167.db2.gz MWJNZZXSRQDFDU-UHFFFAOYSA-N 2 1 287.451 3.527 20 0 CHADMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)C1CCC(C)CC1 ZINC001168224822 1125421168 /nfs/dbraw/zinc/42/11/68/1125421168.db2.gz RYNJSKCLUKNJQJ-UHFFFAOYSA-N 2 1 287.451 3.527 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000119387334 1125426395 /nfs/dbraw/zinc/42/63/95/1125426395.db2.gz JQOXMGKPQQDNNY-QGZVFWFLSA-N 2 1 275.440 3.626 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000119387334 1125426396 /nfs/dbraw/zinc/42/63/96/1125426396.db2.gz JQOXMGKPQQDNNY-QGZVFWFLSA-N 2 1 275.440 3.626 20 0 CHADMP CC[C@@H]1CCCCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000124292130 1125436134 /nfs/dbraw/zinc/43/61/34/1125436134.db2.gz UCJZLVHMIWGQEA-MRXNPFEDSA-N 2 1 263.429 3.626 20 0 CHADMP CC[C@@H]1CCCCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000124292130 1125436136 /nfs/dbraw/zinc/43/61/36/1125436136.db2.gz UCJZLVHMIWGQEA-MRXNPFEDSA-N 2 1 263.429 3.626 20 0 CHADMP CC(C)[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000125071947 1125443943 /nfs/dbraw/zinc/44/39/43/1125443943.db2.gz ZJTOEFSYWIAXMH-HZPDHXFCSA-N 2 1 274.452 3.846 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000124964930 1125444109 /nfs/dbraw/zinc/44/41/09/1125444109.db2.gz HJDMLLXSCWURCR-ZDUSSCGKSA-N 2 1 291.826 3.928 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000124964930 1125444110 /nfs/dbraw/zinc/44/41/10/1125444110.db2.gz HJDMLLXSCWURCR-ZDUSSCGKSA-N 2 1 291.826 3.928 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000125417987 1125449094 /nfs/dbraw/zinc/44/90/94/1125449094.db2.gz QEKFBQAKYYFSGI-AWEZNQCLSA-N 2 1 289.398 3.804 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000125417987 1125449096 /nfs/dbraw/zinc/44/90/96/1125449096.db2.gz QEKFBQAKYYFSGI-AWEZNQCLSA-N 2 1 289.398 3.804 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1CCC(C)C ZINC000125598620 1125450013 /nfs/dbraw/zinc/45/00/13/1125450013.db2.gz GMJJSRYOKDFGQR-QGZVFWFLSA-N 2 1 277.456 3.872 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1CCC(C)C ZINC000125598620 1125450014 /nfs/dbraw/zinc/45/00/14/1125450014.db2.gz GMJJSRYOKDFGQR-QGZVFWFLSA-N 2 1 277.456 3.872 20 0 CHADMP CSC(C)(C)C[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC001258320841 1129194025 /nfs/dbraw/zinc/19/40/25/1129194025.db2.gz FSKPCWIGSPUKBW-HUUCEWRRSA-N 2 1 286.529 3.761 20 0 CHADMP CCc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000163552675 1129203278 /nfs/dbraw/zinc/20/32/78/1129203278.db2.gz CLZJTUYUXGSJKL-CRAIPNDOSA-N 2 1 288.479 3.599 20 0 CHADMP CCCCc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)s1 ZINC001138755454 1129214244 /nfs/dbraw/zinc/21/42/44/1129214244.db2.gz PJONEUJPKURVFM-QGZVFWFLSA-N 2 1 292.492 3.618 20 0 CHADMP CCCCc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)s1 ZINC001138755454 1129214248 /nfs/dbraw/zinc/21/42/48/1129214248.db2.gz PJONEUJPKURVFM-QGZVFWFLSA-N 2 1 292.492 3.618 20 0 CHADMP CCCCc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)s1 ZINC001138755454 1129214253 /nfs/dbraw/zinc/21/42/53/1129214253.db2.gz PJONEUJPKURVFM-QGZVFWFLSA-N 2 1 292.492 3.618 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](C)C1CCCCC1 ZINC000166369694 1129223494 /nfs/dbraw/zinc/22/34/94/1129223494.db2.gz ITGZBPANCNWTJS-QSJFSLAZSA-N 2 1 266.473 3.664 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H](C)C1CCCCC1 ZINC000166369694 1129223496 /nfs/dbraw/zinc/22/34/96/1129223496.db2.gz ITGZBPANCNWTJS-QSJFSLAZSA-N 2 1 266.473 3.664 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3ncccc23)C[C@H]1C ZINC000638111126 1129243516 /nfs/dbraw/zinc/24/35/16/1129243516.db2.gz RIYXVLOEGZHUDD-WBVHZDCISA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3ncccc23)C[C@H]1C ZINC000638111126 1129243519 /nfs/dbraw/zinc/24/35/19/1129243519.db2.gz RIYXVLOEGZHUDD-WBVHZDCISA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3ncccc23)C[C@H]1C ZINC000638111126 1129243524 /nfs/dbraw/zinc/24/35/24/1129243524.db2.gz RIYXVLOEGZHUDD-WBVHZDCISA-N 2 1 297.446 3.539 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000639169615 1129288759 /nfs/dbraw/zinc/28/87/59/1129288759.db2.gz HNBAIEGKSPSBSN-FXUDXRNXSA-N 2 1 292.492 3.560 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000639225128 1129294265 /nfs/dbraw/zinc/29/42/65/1129294265.db2.gz WUZONRAEJOFUHV-BJZITVGISA-N 2 1 284.447 3.743 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000639225128 1129294269 /nfs/dbraw/zinc/29/42/69/1129294269.db2.gz WUZONRAEJOFUHV-BJZITVGISA-N 2 1 284.447 3.743 20 0 CHADMP C[N@@H+](CCCC[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1)C1CC1 ZINC000639245618 1129296290 /nfs/dbraw/zinc/29/62/90/1129296290.db2.gz ZFDVLZLAHFEHEO-RTBURBONSA-N 2 1 286.463 3.644 20 0 CHADMP CCC1([NH+](C)C)CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000639378574 1129308443 /nfs/dbraw/zinc/30/84/43/1129308443.db2.gz IVSNCFWEPFEVQI-UHFFFAOYSA-N 2 1 297.446 3.541 20 0 CHADMP CCC1([NH+](C)C)CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000639378168 1129308602 /nfs/dbraw/zinc/30/86/02/1129308602.db2.gz DMVOKEQHVARWIN-UHFFFAOYSA-N 2 1 297.446 3.541 20 0 CHADMP Cc1ccsc1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639375613 1129308950 /nfs/dbraw/zinc/30/89/50/1129308950.db2.gz YLGNQXDBWCMNAJ-UHFFFAOYSA-N 2 1 278.465 3.507 20 0 CHADMP CC[C@@H](c1ccccc1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757299 1129331849 /nfs/dbraw/zinc/33/18/49/1129331849.db2.gz FMNRXFCCAAUNGV-KRWDZBQOSA-N 2 1 272.436 3.555 20 0 CHADMP C[N@@H+](Cc1cccc2ccccc21)C1CCC([NH3+])CC1 ZINC000091844176 1129373602 /nfs/dbraw/zinc/37/36/02/1129373602.db2.gz HEWQLGZVLJYESV-UHFFFAOYSA-N 2 1 268.404 3.542 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206606312 1129381328 /nfs/dbraw/zinc/38/13/28/1129381328.db2.gz KDKVKLFNGQJVAA-IAGOWNOFSA-N 2 1 266.473 3.820 20 0 CHADMP c1ccc([C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C2CCC2)cc1 ZINC000641771113 1129391551 /nfs/dbraw/zinc/39/15/51/1129391551.db2.gz XJXAMJNUJGTFJZ-HNAYVOBHSA-N 2 1 284.447 3.602 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643066104 1129427923 /nfs/dbraw/zinc/42/79/23/1129427923.db2.gz KFNCDKNYBDIHIC-SIXWZSSISA-N 2 1 280.415 3.585 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643066104 1129427925 /nfs/dbraw/zinc/42/79/25/1129427925.db2.gz KFNCDKNYBDIHIC-SIXWZSSISA-N 2 1 280.415 3.585 20 0 CHADMP CC(C)[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000643529329 1129444597 /nfs/dbraw/zinc/44/45/97/1129444597.db2.gz YRTDZLGKAWNGBL-TVQRCGJNSA-N 2 1 275.223 3.627 20 0 CHADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCc2cc(Cl)ccc21 ZINC000796055726 1129463710 /nfs/dbraw/zinc/46/37/10/1129463710.db2.gz DRJDISQQXPHDTN-QGZVFWFLSA-N 2 1 292.854 3.745 20 0 CHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccoc2)[C@@H]1c1cccs1 ZINC000742373969 1129475191 /nfs/dbraw/zinc/47/51/91/1129475191.db2.gz XESJHKUCPKVOSZ-GOEBONIOSA-N 2 1 290.432 3.514 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccoc2)[C@@H]1c1cccs1 ZINC000742373969 1129475193 /nfs/dbraw/zinc/47/51/93/1129475193.db2.gz XESJHKUCPKVOSZ-GOEBONIOSA-N 2 1 290.432 3.514 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(C)(C)c2ccccc2)C1 ZINC000180524092 1129487251 /nfs/dbraw/zinc/48/72/51/1129487251.db2.gz SQQYUUSPFWKDPT-KRWDZBQOSA-N 2 1 288.479 3.628 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(C)(C)c2ccccc2)C1 ZINC000180524092 1129487252 /nfs/dbraw/zinc/48/72/52/1129487252.db2.gz SQQYUUSPFWKDPT-KRWDZBQOSA-N 2 1 288.479 3.628 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(C)(C)c2ccccc2)C1 ZINC000180524092 1129487254 /nfs/dbraw/zinc/48/72/54/1129487254.db2.gz SQQYUUSPFWKDPT-KRWDZBQOSA-N 2 1 288.479 3.628 20 0 CHADMP c1[nH+]c(C2CC[NH+](CC3=CCCC3)CC2)n2c1CCCC2 ZINC000645895131 1129511332 /nfs/dbraw/zinc/51/13/32/1129511332.db2.gz XPZXNCWCJKFSFW-UHFFFAOYSA-N 2 1 285.435 3.509 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000646117953 1129524058 /nfs/dbraw/zinc/52/40/58/1129524058.db2.gz BUEOROLNWVHFFY-MOPGFXCFSA-N 2 1 296.458 3.864 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000646117953 1129524059 /nfs/dbraw/zinc/52/40/59/1129524059.db2.gz BUEOROLNWVHFFY-MOPGFXCFSA-N 2 1 296.458 3.864 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000646117953 1129524061 /nfs/dbraw/zinc/52/40/61/1129524061.db2.gz BUEOROLNWVHFFY-MOPGFXCFSA-N 2 1 296.458 3.864 20 0 CHADMP CCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647166987 1129553842 /nfs/dbraw/zinc/55/38/42/1129553842.db2.gz LMRCUSVAJUZWRZ-GOSISDBHSA-N 2 1 286.463 3.963 20 0 CHADMP CCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647166987 1129553843 /nfs/dbraw/zinc/55/38/43/1129553843.db2.gz LMRCUSVAJUZWRZ-GOSISDBHSA-N 2 1 286.463 3.963 20 0 CHADMP CCCC[C@@H](CC)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344276 1129571697 /nfs/dbraw/zinc/57/16/97/1129571697.db2.gz NGVIOTHOCLTQDP-QRVBRYPASA-N 2 1 288.479 3.890 20 0 CHADMP [NH3+]CCC[N@H+](Cc1cccc2cnccc21)CC1CCCC1 ZINC000647541380 1129580720 /nfs/dbraw/zinc/58/07/20/1129580720.db2.gz DTDMZLBTEQXJKB-UHFFFAOYSA-N 2 1 297.446 3.576 20 0 CHADMP Clc1sccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543904 1129581172 /nfs/dbraw/zinc/58/11/72/1129581172.db2.gz UGKAQBPUNSYOGZ-STQMWFEESA-N 2 1 298.883 3.613 20 0 CHADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](C)c1cc2ccccc2o1 ZINC000647882241 1129586958 /nfs/dbraw/zinc/58/69/58/1129586958.db2.gz ZVFNFTKSJZXHIE-CABCVRRESA-N 2 1 286.419 3.815 20 0 CHADMP CC[C@@H]1C[N@@H+](CCCc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000647936282 1129588629 /nfs/dbraw/zinc/58/86/29/1129588629.db2.gz ATUGROIZTGPUIP-UZLBHIALSA-N 2 1 296.458 3.832 20 0 CHADMP CC[NH+](CC)c1ccc(Nc2cc[nH+]c(N(C)C)c2)cc1 ZINC001212969117 1129638714 /nfs/dbraw/zinc/63/87/14/1129638714.db2.gz NOMUFJATUUMCOT-UHFFFAOYSA-N 2 1 284.407 3.737 20 0 CHADMP CC(C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000380923369 1129641463 /nfs/dbraw/zinc/64/14/63/1129641463.db2.gz ZQBOMZBTDYCGQI-AEFFLSMTSA-N 2 1 274.452 3.533 20 0 CHADMP CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001169060501 1129693675 /nfs/dbraw/zinc/69/36/75/1129693675.db2.gz YGIZAFSVMJAVSH-MOPGFXCFSA-N 2 1 288.479 3.718 20 0 CHADMP Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc12 ZINC001169099557 1129696492 /nfs/dbraw/zinc/69/64/92/1129696492.db2.gz BHLILDXPXRBRCS-BCDXTJNWSA-N 2 1 294.442 3.863 20 0 CHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3cccc(Cl)c3)CC1)C2 ZINC001169098418 1129696644 /nfs/dbraw/zinc/69/66/44/1129696644.db2.gz HVDMBKLLBFSTBZ-PHZGNYQRSA-N 2 1 290.838 3.544 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3cccc(Cl)c3)CC1)C2 ZINC001169098418 1129696646 /nfs/dbraw/zinc/69/66/46/1129696646.db2.gz HVDMBKLLBFSTBZ-PHZGNYQRSA-N 2 1 290.838 3.544 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCC3(CCCC3)CC1)C2 ZINC001169092857 1129696915 /nfs/dbraw/zinc/69/69/15/1129696915.db2.gz DDSFYVQGJZVQRZ-OSYLJGHBSA-N 2 1 276.468 3.704 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](C(C)(C)C)CC1)C2 ZINC001169100967 1129697341 /nfs/dbraw/zinc/69/73/41/1129697341.db2.gz NCJRMJGGGYDEAB-RDSHKEJNSA-N 2 1 278.484 3.806 20 0 CHADMP CC(C)[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC001169101272 1129697581 /nfs/dbraw/zinc/69/75/81/1129697581.db2.gz QEOAHCNKLZYPHX-ZJPYXAASSA-N 2 1 290.426 3.738 20 0 CHADMP CC(C)=CCC/C(C)=C/C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169100659 1129697719 /nfs/dbraw/zinc/69/77/19/1129697719.db2.gz KYEUYQCXJSFYLA-BCHMHWIISA-N 2 1 276.468 3.894 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(C(C)(C)C)cc1)C2 ZINC001169090892 1129700258 /nfs/dbraw/zinc/70/02/58/1129700258.db2.gz NKJZKWCTRYBNOK-BCDXTJNWSA-N 2 1 286.463 3.699 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](CC1CC1)c1ccccc1)C2 ZINC001169116319 1129700615 /nfs/dbraw/zinc/70/06/15/1129700615.db2.gz PXQNNQZVWLOROW-AKHDSKFASA-N 2 1 284.447 3.743 20 0 CHADMP CCCC[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169138181 1129702570 /nfs/dbraw/zinc/70/25/70/1129702570.db2.gz FZUFFJCVUZZERW-REPLKXPHSA-N 2 1 286.463 3.914 20 0 CHADMP CCCC[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169138181 1129702573 /nfs/dbraw/zinc/70/25/73/1129702573.db2.gz FZUFFJCVUZZERW-REPLKXPHSA-N 2 1 286.463 3.914 20 0 CHADMP CCCC[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169138181 1129702574 /nfs/dbraw/zinc/70/25/74/1129702574.db2.gz FZUFFJCVUZZERW-REPLKXPHSA-N 2 1 286.463 3.914 20 0 CHADMP C[C@H](CC1CCCCC1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108176 1129703098 /nfs/dbraw/zinc/70/30/98/1129703098.db2.gz PBLISBKPFDOIOG-DZUCGIPZSA-N 2 1 264.457 3.560 20 0 CHADMP Cc1cc(Cl)ccc1[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169109106 1129703306 /nfs/dbraw/zinc/70/33/06/1129703306.db2.gz HPRLCLYEWNAAAQ-DMRZNYOFSA-N 2 1 292.854 3.924 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169109367 1129703610 /nfs/dbraw/zinc/70/36/10/1129703610.db2.gz BFXGQWLJEYUBIY-NKGKWGDASA-N 2 1 272.436 3.525 20 0 CHADMP CCCCC1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169112805 1129703628 /nfs/dbraw/zinc/70/36/28/1129703628.db2.gz STVOAVBCNLKSOB-NJZDOBRDSA-N 2 1 278.484 3.950 20 0 CHADMP CC1(C)C[C@@H](Nc2[nH+]ccc3cc[nH]c32)C[C@@](C)(C[NH3+])C1 ZINC001169151231 1129705482 /nfs/dbraw/zinc/70/54/82/1129705482.db2.gz HFLSWSWGJIUSOQ-CXAGYDPISA-N 2 1 286.423 3.519 20 0 CHADMP CCC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(F)cc1 ZINC001169230315 1129710460 /nfs/dbraw/zinc/71/04/60/1129710460.db2.gz XWXDQPNWCLAXIP-KRWDZBQOSA-N 2 1 278.415 3.741 20 0 CHADMP CC[NH+]1CCC([N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001169265701 1129711264 /nfs/dbraw/zinc/71/12/64/1129711264.db2.gz PPXGEOINFBXEHV-OAHLLOKOSA-N 2 1 292.854 3.614 20 0 CHADMP CC[NH+]1CCC([N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001169265701 1129711267 /nfs/dbraw/zinc/71/12/67/1129711267.db2.gz PPXGEOINFBXEHV-OAHLLOKOSA-N 2 1 292.854 3.614 20 0 CHADMP CC[NH+]1CCC([NH+](CCC(C)C)CCC(C)C)CC1 ZINC001169262215 1129711655 /nfs/dbraw/zinc/71/16/55/1129711655.db2.gz WWGJPEQCXADRFY-UHFFFAOYSA-N 2 1 268.489 3.865 20 0 CHADMP CC[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccc(C)cc2)CC1 ZINC001169255623 1129713110 /nfs/dbraw/zinc/71/31/10/1129713110.db2.gz UMSKJPBZZIESMG-SFHVURJKSA-N 2 1 272.436 3.616 20 0 CHADMP CC[NH+]1CCC([N@H+]2CCC[C@H]2c2ccc(C)cc2)CC1 ZINC001169255623 1129713114 /nfs/dbraw/zinc/71/31/14/1129713114.db2.gz UMSKJPBZZIESMG-SFHVURJKSA-N 2 1 272.436 3.616 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccc2[nH]c[nH+]c2c1 ZINC001169690490 1129747312 /nfs/dbraw/zinc/74/73/12/1129747312.db2.gz MJOHQIHAWARYAE-HNNXBMFYSA-N 2 1 292.386 3.803 20 0 CHADMP C[N@H+](CC/C=C/c1ccccc1)CCC[NH+]1CCCC1 ZINC001169761258 1129755158 /nfs/dbraw/zinc/75/51/58/1129755158.db2.gz GLWZGICDZNJIHT-LFYBBSHMSA-N 2 1 272.436 3.508 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2ccccc2)CC[N@H+]1C ZINC000742374752 1129817068 /nfs/dbraw/zinc/81/70/68/1129817068.db2.gz FWUQJSRYXDZLSQ-APWZRJJASA-N 2 1 294.442 3.926 20 0 CHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2cncc3ccccc32)CC1 ZINC000768229519 1129845549 /nfs/dbraw/zinc/84/55/49/1129845549.db2.gz LLTRHCJVRUVMER-UHFFFAOYSA-N 2 1 297.446 3.539 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cncc3ccccc32)CC1 ZINC000768229519 1129845551 /nfs/dbraw/zinc/84/55/51/1129845551.db2.gz LLTRHCJVRUVMER-UHFFFAOYSA-N 2 1 297.446 3.539 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cncc3ccccc32)C[C@@H]1C ZINC000769470317 1129912524 /nfs/dbraw/zinc/91/25/24/1129912524.db2.gz LJYVDOYWCSOSLL-MAUKXSAKSA-N 2 1 297.446 3.539 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cncc3ccccc32)C[C@@H]1C ZINC000769470317 1129912526 /nfs/dbraw/zinc/91/25/26/1129912526.db2.gz LJYVDOYWCSOSLL-MAUKXSAKSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cncc3ccccc32)C[C@@H]1C ZINC000769470317 1129912527 /nfs/dbraw/zinc/91/25/27/1129912527.db2.gz LJYVDOYWCSOSLL-MAUKXSAKSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cncc3ccccc32)C[C@@H]1C ZINC000769470317 1129912529 /nfs/dbraw/zinc/91/25/29/1129912529.db2.gz LJYVDOYWCSOSLL-MAUKXSAKSA-N 2 1 297.446 3.539 20 0 CHADMP C[C@H]([NH2+]C1C[C@@H]2CCC[C@H]2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000902948929 1130089599 /nfs/dbraw/zinc/08/95/99/1130089599.db2.gz YNPBXHZCXUDIMF-QAETUUGQSA-N 2 1 290.495 3.808 20 0 CHADMP C1=C(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCCC1 ZINC000903055802 1130106201 /nfs/dbraw/zinc/10/62/01/1130106201.db2.gz LZMWTGBTFUOTBT-ZNXRZULTSA-N 2 1 274.452 3.624 20 0 CHADMP C[C@@H](CCC(C)(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903099047 1130111129 /nfs/dbraw/zinc/11/11/29/1130111129.db2.gz XUAVKJGVXNJEHN-YTTRVJOFSA-N 2 1 278.484 3.949 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[C@H](C)C1 ZINC000903097331 1130111352 /nfs/dbraw/zinc/11/13/52/1130111352.db2.gz QYGWVZNBKNXRGL-MUKREOIQSA-N 2 1 276.468 3.559 20 0 CHADMP CS[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(C)(C)C ZINC000903146950 1130119554 /nfs/dbraw/zinc/11/95/54/1130119554.db2.gz DHFODGKJDXPGCX-YPAMNDHTSA-N 2 1 296.524 3.512 20 0 CHADMP FC1(F)CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903167708 1130122855 /nfs/dbraw/zinc/12/28/55/1130122855.db2.gz OPOZKAIOMZNKIN-WPXLMEDKSA-N 2 1 298.421 3.559 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@]12C[C@H]1CCCC2 ZINC000903211556 1130131055 /nfs/dbraw/zinc/13/10/55/1130131055.db2.gz GUMXMHZKLFKUID-FAOQKRTGSA-N 2 1 288.479 3.703 20 0 CHADMP CC(C)CCC[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001170074318 1130153682 /nfs/dbraw/zinc/15/36/82/1130153682.db2.gz RDLDLLNBURCQLS-ULQDDVLXSA-N 2 1 268.489 3.910 20 0 CHADMP CC(C)=CCC[C@H](C)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903383324 1130168994 /nfs/dbraw/zinc/16/89/94/1130168994.db2.gz LRLUGDFEYZPDOT-WMZOPIPTSA-N 2 1 289.467 3.799 20 0 CHADMP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903430157 1130176898 /nfs/dbraw/zinc/17/68/98/1130176898.db2.gz OSWORQXCQMIAKS-GUTXKFCHSA-N 2 1 272.392 3.553 20 0 CHADMP Cl/C=C/C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000903443174 1130177154 /nfs/dbraw/zinc/17/71/54/1130177154.db2.gz CNUNAFUJOJYTGA-QASIXUJNSA-N 2 1 290.838 3.524 20 0 CHADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1(C3CCCCC3)CC1)C2 ZINC000903449341 1130178474 /nfs/dbraw/zinc/17/84/74/1130178474.db2.gz XPQDOUUTHDYKKK-ZNXRZULTSA-N 2 1 288.479 3.847 20 0 CHADMP COc1cc(C)[nH+]cc1-c1ccc(C[NH2+]C(C)(C)C)cc1 ZINC001240373312 1130282428 /nfs/dbraw/zinc/28/24/28/1130282428.db2.gz DEBUHQXVKPHGBV-UHFFFAOYSA-N 2 1 284.403 3.954 20 0 CHADMP c1[nH+]cn2c1cccc2C1=CCC[N@H+](Cc2ccccc2)C1 ZINC001240387757 1130286775 /nfs/dbraw/zinc/28/67/75/1130286775.db2.gz WAQGEKCIUWICLB-UHFFFAOYSA-N 2 1 289.382 3.624 20 0 CHADMP Cc1ccccc1[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000677240279 1130297649 /nfs/dbraw/zinc/29/76/49/1130297649.db2.gz FCTATHUQNBONSY-ZHALLVOQSA-N 2 1 284.447 3.663 20 0 CHADMP CCCC[N@H+](CCn1cc[nH+]c1C)[C@H](C)c1ccc(C)o1 ZINC000677981494 1130340453 /nfs/dbraw/zinc/34/04/53/1130340453.db2.gz FCLOPRHPTUVYDW-OAHLLOKOSA-N 2 1 289.423 3.956 20 0 CHADMP CCCC[N@@H+](CCn1cc[nH+]c1C)[C@H](C)c1ccc(C)o1 ZINC000677981494 1130340460 /nfs/dbraw/zinc/34/04/60/1130340460.db2.gz FCLOPRHPTUVYDW-OAHLLOKOSA-N 2 1 289.423 3.956 20 0 CHADMP CCCC[C@H](CC)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000678359286 1130407941 /nfs/dbraw/zinc/40/79/41/1130407941.db2.gz CURQFRJTYBVPAA-GVDBMIGSSA-N 2 1 266.473 3.809 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1c2ccccc2CC[C@H]1C ZINC000678771488 1130452444 /nfs/dbraw/zinc/45/24/44/1130452444.db2.gz VXYCWTXWOCRYNN-DNVCBOLYSA-N 2 1 297.446 3.885 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3cnccc32)C[C@@H]1C ZINC000679990546 1130568592 /nfs/dbraw/zinc/56/85/92/1130568592.db2.gz VEPYPQYFZSTHCC-MAUKXSAKSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3cnccc32)C[C@@H]1C ZINC000679990546 1130568599 /nfs/dbraw/zinc/56/85/99/1130568599.db2.gz VEPYPQYFZSTHCC-MAUKXSAKSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3cnccc32)C[C@@H]1C ZINC000679990546 1130568602 /nfs/dbraw/zinc/56/86/02/1130568602.db2.gz VEPYPQYFZSTHCC-MAUKXSAKSA-N 2 1 297.446 3.539 20 0 CHADMP CSc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1 ZINC001235038279 1130704638 /nfs/dbraw/zinc/70/46/38/1130704638.db2.gz FKZAKQCHKRXRQP-KRWDZBQOSA-N 2 1 290.476 3.517 20 0 CHADMP Cc1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)ccc1Cl ZINC001235044709 1130707406 /nfs/dbraw/zinc/70/74/06/1130707406.db2.gz JPBJAYBKNNVERW-QGZVFWFLSA-N 2 1 292.854 3.757 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)ccc1Cl ZINC001235044709 1130707411 /nfs/dbraw/zinc/70/74/11/1130707411.db2.gz JPBJAYBKNNVERW-QGZVFWFLSA-N 2 1 292.854 3.757 20 0 CHADMP Cc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c2ccccc12 ZINC001235094388 1130710322 /nfs/dbraw/zinc/71/03/22/1130710322.db2.gz ZBQSICRXLJNRMZ-UHFFFAOYSA-N 2 1 294.442 3.724 20 0 CHADMP C[C@H](CC[N@H+]1CCC2(C1)CC[NH2+]CC2)CC(C)(C)C ZINC001235093879 1130711014 /nfs/dbraw/zinc/71/10/14/1130711014.db2.gz UKNAUYCLDHNHAX-OAHLLOKOSA-N 2 1 266.473 3.524 20 0 CHADMP Fc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c2ccccc12 ZINC001235093077 1130711081 /nfs/dbraw/zinc/71/10/81/1130711081.db2.gz OGXVNMXFYOFFRP-UHFFFAOYSA-N 2 1 298.405 3.554 20 0 CHADMP CCc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1 ZINC001235152655 1130714669 /nfs/dbraw/zinc/71/46/69/1130714669.db2.gz HWKGYGFYJXHVDD-LJQANCHMSA-N 2 1 286.463 3.603 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235145370 1130714962 /nfs/dbraw/zinc/71/49/62/1130714962.db2.gz VANBIEFNFXMGBJ-UHFFFAOYSA-N 2 1 292.854 3.675 20 0 CHADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(C)c1 ZINC001235152974 1130715842 /nfs/dbraw/zinc/71/58/42/1130715842.db2.gz QHOCRWDHHNOQFJ-LJQANCHMSA-N 2 1 286.463 3.658 20 0 CHADMP Cc1ccc2[nH]cc(C[N@@H+]3CCCC[C@@]34CCC[NH2+]C4)c2c1 ZINC001235172418 1130717750 /nfs/dbraw/zinc/71/77/50/1130717750.db2.gz MOYYKGWLUNAXQP-IBGZPJMESA-N 2 1 297.446 3.584 20 0 CHADMP Cc1ccc2[nH]cc(C[N@H+]3CCCC[C@@]34CCC[NH2+]C4)c2c1 ZINC001235172418 1130717755 /nfs/dbraw/zinc/71/77/55/1130717755.db2.gz MOYYKGWLUNAXQP-IBGZPJMESA-N 2 1 297.446 3.584 20 0 CHADMP c1cc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)c2cccccc1-2 ZINC001235181152 1130718909 /nfs/dbraw/zinc/71/89/09/1130718909.db2.gz ZDMMCMCOEALWBT-FQEVSTJZSA-N 2 1 294.442 3.900 20 0 CHADMP c1cc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)c2cccccc1-2 ZINC001235181152 1130718915 /nfs/dbraw/zinc/71/89/15/1130718915.db2.gz ZDMMCMCOEALWBT-FQEVSTJZSA-N 2 1 294.442 3.900 20 0 CHADMP Cc1ccc([C@H](C)CC[N@H+]2CCCCC23CC[NH2+]CC3)o1 ZINC001235191192 1130720757 /nfs/dbraw/zinc/72/07/57/1130720757.db2.gz QJMMFGFBTXKAPB-OAHLLOKOSA-N 2 1 290.451 3.690 20 0 CHADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1-c1cccs1)C2 ZINC001235246067 1130727384 /nfs/dbraw/zinc/72/73/84/1130727384.db2.gz TUCRJVCYQLGBGB-CRAIPNDOSA-N 2 1 298.455 3.728 20 0 CHADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1-c1cccs1)C2 ZINC001235246067 1130727388 /nfs/dbraw/zinc/72/73/88/1130727388.db2.gz TUCRJVCYQLGBGB-CRAIPNDOSA-N 2 1 298.455 3.728 20 0 CHADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(-c3ccccc3)s1)C2 ZINC001235244758 1130728357 /nfs/dbraw/zinc/72/83/57/1130728357.db2.gz IZDLJZALDGDWNX-CRAIPNDOSA-N 2 1 298.455 3.728 20 0 CHADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(-c3ccccc3)s1)C2 ZINC001235244758 1130728362 /nfs/dbraw/zinc/72/83/62/1130728362.db2.gz IZDLJZALDGDWNX-CRAIPNDOSA-N 2 1 298.455 3.728 20 0 CHADMP c1cc(-c2cccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)c2)cs1 ZINC001235266908 1130731077 /nfs/dbraw/zinc/73/10/77/1130731077.db2.gz HQVYGZIODSNNLJ-AEFFLSMTSA-N 2 1 298.455 3.599 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001235396700 1130739701 /nfs/dbraw/zinc/73/97/01/1130739701.db2.gz KWZYQKWINMYWES-QCDWVSHVSA-N 2 1 296.474 3.912 20 0 CHADMP c1ccc(C2CC2)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235423686 1130741929 /nfs/dbraw/zinc/74/19/29/1130741929.db2.gz GIJFURSBNYMXGW-QZTJIDSGSA-N 2 1 298.474 3.776 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235433457 1130743128 /nfs/dbraw/zinc/74/31/28/1130743128.db2.gz IHQRZTXEAPBCHK-UHFFFAOYSA-N 2 1 288.460 3.641 20 0 CHADMP Cc1ccccc1[C@@H]1CCC[N@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC001235446282 1130746057 /nfs/dbraw/zinc/74/60/57/1130746057.db2.gz XNNXGZJPYGALAC-WMZOPIPTSA-N 2 1 272.436 3.664 20 0 CHADMP Cc1ccc([C@H](C)[N@@H+](C)CC2CC[NH+](C)CC2)c(C)c1 ZINC000782182844 1130758133 /nfs/dbraw/zinc/75/81/33/1130758133.db2.gz FVRRPBQMLZAJAN-INIZCTEOSA-N 2 1 274.452 3.638 20 0 CHADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001235673144 1130764044 /nfs/dbraw/zinc/76/40/44/1130764044.db2.gz LUBZAOPLCOAGJK-MRXNPFEDSA-N 2 1 298.405 3.663 20 0 CHADMP c1ccc([C@H]2CCC[N@@H+]2CC2CC3(C2)CC[NH2+]CC3)cc1 ZINC001235674067 1130765251 /nfs/dbraw/zinc/76/52/51/1130765251.db2.gz LFYWARKHHWJSKF-GOSISDBHSA-N 2 1 284.447 3.603 20 0 CHADMP [NH3+]Cc1cccc(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)c1 ZINC001235675347 1130766845 /nfs/dbraw/zinc/76/68/45/1130766845.db2.gz WFBBYWLHNASRSX-FQEVSTJZSA-N 2 1 294.442 3.600 20 0 CHADMP Fc1ccccc1[C@H]1CCCC[N@@H+]1CC[C@H]1CCCC[NH2+]1 ZINC001235679031 1130767271 /nfs/dbraw/zinc/76/72/71/1130767271.db2.gz ODISUUZTWKEQHH-CRAIPNDOSA-N 2 1 290.426 3.885 20 0 CHADMP Fc1ccccc1[C@H]1CCCC[N@H+]1CC[C@H]1CCCC[NH2+]1 ZINC001235679031 1130767275 /nfs/dbraw/zinc/76/72/75/1130767275.db2.gz ODISUUZTWKEQHH-CRAIPNDOSA-N 2 1 290.426 3.885 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235717693 1130771549 /nfs/dbraw/zinc/77/15/49/1130771549.db2.gz ZDESHCWPIQQSBS-UHFFFAOYSA-N 2 1 296.458 3.970 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235712352 1130771854 /nfs/dbraw/zinc/77/18/54/1130771854.db2.gz AQQZAHXQMZXVPS-INIZCTEOSA-N 2 1 266.473 3.690 20 0 CHADMP Cc1c(C[N@@H+]2CCC[C@H]2C[NH3+])cccc1-c1ccccc1 ZINC001235724900 1130773204 /nfs/dbraw/zinc/77/32/04/1130773204.db2.gz KYFCOEQTDIKATC-SFHVURJKSA-N 2 1 280.415 3.585 20 0 CHADMP Cc1c(C[N@H+]2CCC[C@H]2C[NH3+])cccc1-c1ccccc1 ZINC001235724900 1130773207 /nfs/dbraw/zinc/77/32/07/1130773207.db2.gz KYFCOEQTDIKATC-SFHVURJKSA-N 2 1 280.415 3.585 20 0 CHADMP CC[N@@H+](Cc1sc2ccccc2c1C)C1CC[NH2+]CC1 ZINC001235759892 1130776244 /nfs/dbraw/zinc/77/62/44/1130776244.db2.gz DSCWUMZPVGQOTI-UHFFFAOYSA-N 2 1 288.460 3.784 20 0 CHADMP CC[N@@H+](Cc1ccc(C)c2ccccc12)C1CC[NH2+]CC1 ZINC001235763004 1130777957 /nfs/dbraw/zinc/77/79/57/1130777957.db2.gz ZSWDUJUOJDBXPC-UHFFFAOYSA-N 2 1 282.431 3.722 20 0 CHADMP C[N@H+](Cc1ccc(-c2ccc(F)cc2)cc1)C[C@H]1CC[NH2+]C1 ZINC001235841358 1130787150 /nfs/dbraw/zinc/78/71/50/1130787150.db2.gz DQILYBINJIDZCV-INIZCTEOSA-N 2 1 298.405 3.534 20 0 CHADMP CC(C)c1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)ccc1Cl ZINC001235933951 1130809537 /nfs/dbraw/zinc/80/95/37/1130809537.db2.gz ANAMOFCFVLQOLN-GJZGRUSLSA-N 2 1 292.854 3.505 20 0 CHADMP CC(C)c1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)ccc1Cl ZINC001235933951 1130809542 /nfs/dbraw/zinc/80/95/42/1130809542.db2.gz ANAMOFCFVLQOLN-GJZGRUSLSA-N 2 1 292.854 3.505 20 0 CHADMP C[N@@H+](CCCC[NH3+])Cc1sc2ccccc2c1Cl ZINC001235948902 1130812262 /nfs/dbraw/zinc/81/22/62/1130812262.db2.gz SFRKLRGGTNPOHS-UHFFFAOYSA-N 2 1 282.840 3.725 20 0 CHADMP C[N@@H+](CCC1C[NH2+]C1)Cc1ccc(Oc2ccccc2)cc1 ZINC001235950163 1130813947 /nfs/dbraw/zinc/81/39/47/1130813947.db2.gz SNDDQFNZOVXHEM-UHFFFAOYSA-N 2 1 296.414 3.520 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235950630 1130815023 /nfs/dbraw/zinc/81/50/23/1130815023.db2.gz JFRNHDDLAFNRNI-CQSZACIVSA-N 2 1 288.460 3.641 20 0 CHADMP C[N@H+](Cc1cccc(-c2ccccc2)c1)C[C@H]1CCC[NH2+]C1 ZINC001235958315 1130817552 /nfs/dbraw/zinc/81/75/52/1130817552.db2.gz ZCEGEAROJOMGFB-SFHVURJKSA-N 2 1 294.442 3.785 20 0 CHADMP CC[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(C[NH3+])cc1 ZINC001235960759 1130819017 /nfs/dbraw/zinc/81/90/17/1130819017.db2.gz XNAOWDIDCGXMSZ-SFHVURJKSA-N 2 1 268.404 3.728 20 0 CHADMP CC[N@H+](Cc1c(C)ccc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC001236005279 1130829756 /nfs/dbraw/zinc/82/97/56/1130829756.db2.gz CAORQUGZSVLUDS-QGZVFWFLSA-N 2 1 282.431 3.722 20 0 CHADMP CC[N@@H+](Cc1c(C)ccc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC001236005279 1130829763 /nfs/dbraw/zinc/82/97/63/1130829763.db2.gz CAORQUGZSVLUDS-QGZVFWFLSA-N 2 1 282.431 3.722 20 0 CHADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CCC(C(C)(C)C)CC1 ZINC001236009006 1130831640 /nfs/dbraw/zinc/83/16/40/1130831640.db2.gz OZUCGHICOJDUJN-GTPINHCMSA-N 2 1 280.500 3.913 20 0 CHADMP C[C@H]1C[C@@H]([NH3+])C[N@H+](Cc2c3ccccc3[nH]c2C(C)(C)C)C1 ZINC001236047186 1130837124 /nfs/dbraw/zinc/83/71/24/1130837124.db2.gz LDPSJURSMXUQDK-UONOGXRCSA-N 2 1 299.462 3.635 20 0 CHADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+](Cc2c3ccccc3[nH]c2C(C)(C)C)C1 ZINC001236047186 1130837129 /nfs/dbraw/zinc/83/71/29/1130837129.db2.gz LDPSJURSMXUQDK-UONOGXRCSA-N 2 1 299.462 3.635 20 0 CHADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2c3ccccc3[nH]c2C(C)(C)C)C1 ZINC001236047187 1130837886 /nfs/dbraw/zinc/83/78/86/1130837886.db2.gz LDPSJURSMXUQDK-ZIAGYGMSSA-N 2 1 299.462 3.635 20 0 CHADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2c3ccccc3[nH]c2C(C)(C)C)C1 ZINC001236047187 1130837889 /nfs/dbraw/zinc/83/78/89/1130837889.db2.gz LDPSJURSMXUQDK-ZIAGYGMSSA-N 2 1 299.462 3.635 20 0 CHADMP Cc1cccc(-c2ccc(C[N@@H+]3C[C@@H](C)C[C@H]([NH3+])C3)cc2)c1 ZINC001236052009 1130840808 /nfs/dbraw/zinc/84/08/08/1130840808.db2.gz ZHQUKRXOZHEUSY-JXFKEZNVSA-N 2 1 294.442 3.831 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3C[C@@H](C)C[C@H]([NH3+])C3)cc2)c1 ZINC001236052009 1130840813 /nfs/dbraw/zinc/84/08/13/1130840813.db2.gz ZHQUKRXOZHEUSY-JXFKEZNVSA-N 2 1 294.442 3.831 20 0 CHADMP Cc1c(C[N@@H+]2C[C@H](C)C[C@@H]([NH3+])C2)cccc1-c1ccccc1 ZINC001236052434 1130840919 /nfs/dbraw/zinc/84/09/19/1130840919.db2.gz QVVREKPCLJIMHY-DNVCBOLYSA-N 2 1 294.442 3.831 20 0 CHADMP Cc1c(C[N@H+]2C[C@H](C)C[C@@H]([NH3+])C2)cccc1-c1ccccc1 ZINC001236052434 1130840927 /nfs/dbraw/zinc/84/09/27/1130840927.db2.gz QVVREKPCLJIMHY-DNVCBOLYSA-N 2 1 294.442 3.831 20 0 CHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2c3ccccc3[nH]c2C(C)(C)C)C1 ZINC001236068920 1130846862 /nfs/dbraw/zinc/84/68/62/1130846862.db2.gz YXRWWWMVFPHECV-CQSZACIVSA-N 2 1 299.462 3.507 20 0 CHADMP CCC[N@@H+](Cc1cccc2sccc21)C1CC[NH2+]CC1 ZINC001236184987 1130880917 /nfs/dbraw/zinc/88/09/17/1130880917.db2.gz QEXUEVJBKASCCE-UHFFFAOYSA-N 2 1 288.460 3.865 20 0 CHADMP C[N@@H+](CC[C@H]1CCCC[NH2+]1)Cc1ccc2ccccc2c1 ZINC001236184447 1130881230 /nfs/dbraw/zinc/88/12/30/1130881230.db2.gz QVTRXUZMDZSKHX-LJQANCHMSA-N 2 1 282.431 3.804 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236204694 1130886656 /nfs/dbraw/zinc/88/66/56/1130886656.db2.gz AAHWKTADFMHTAD-KRWDZBQOSA-N 2 1 288.460 3.784 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236204694 1130886662 /nfs/dbraw/zinc/88/66/62/1130886662.db2.gz AAHWKTADFMHTAD-KRWDZBQOSA-N 2 1 288.460 3.784 20 0 CHADMP C[N@H+](Cc1ccc(C(C)(C)C)cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236211416 1130887115 /nfs/dbraw/zinc/88/71/15/1130887115.db2.gz HWMNYBZHMSXAHL-IRXDYDNUSA-N 2 1 274.452 3.686 20 0 CHADMP C[N@@H+](Cc1ccc(C(C)(C)C)cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236211416 1130887118 /nfs/dbraw/zinc/88/71/18/1130887118.db2.gz HWMNYBZHMSXAHL-IRXDYDNUSA-N 2 1 274.452 3.686 20 0 CHADMP COc1ccc2cc(C[N@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])ccc2c1 ZINC001236210670 1130887724 /nfs/dbraw/zinc/88/77/24/1130887724.db2.gz DWRPIMUWTUXGBT-RBUKOAKNSA-N 2 1 298.430 3.550 20 0 CHADMP COc1ccc2cc(C[N@@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])ccc2c1 ZINC001236210670 1130887730 /nfs/dbraw/zinc/88/77/30/1130887730.db2.gz DWRPIMUWTUXGBT-RBUKOAKNSA-N 2 1 298.430 3.550 20 0 CHADMP Cc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c2ccccc12 ZINC001236211975 1130888835 /nfs/dbraw/zinc/88/88/35/1130888835.db2.gz KMBXCXBUBOCCIA-RTBURBONSA-N 2 1 282.431 3.850 20 0 CHADMP C[N@H+](Cc1c[nH]c2c1cccc2Cl)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236214726 1130889234 /nfs/dbraw/zinc/88/92/34/1130889234.db2.gz DWSNVQLURBLEJU-GJZGRUSLSA-N 2 1 291.826 3.523 20 0 CHADMP C[N@@H+](Cc1c[nH]c2c1cccc2Cl)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236214726 1130889242 /nfs/dbraw/zinc/88/92/42/1130889242.db2.gz DWSNVQLURBLEJU-GJZGRUSLSA-N 2 1 291.826 3.523 20 0 CHADMP C[N@H+](Cc1cccc(OC(C)(C)C)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215911 1130892464 /nfs/dbraw/zinc/89/24/64/1130892464.db2.gz IUKWJCUKAUTRPA-DLBZAZTESA-N 2 1 290.451 3.566 20 0 CHADMP C[N@@H+](Cc1cccc(OC(C)(C)C)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215911 1130892472 /nfs/dbraw/zinc/89/24/72/1130892472.db2.gz IUKWJCUKAUTRPA-DLBZAZTESA-N 2 1 290.451 3.566 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2cccc(C(C)C)c2)CC1 ZINC001236216287 1130892571 /nfs/dbraw/zinc/89/25/71/1130892571.db2.gz XEVRUKGXZGUOQF-UHFFFAOYSA-N 2 1 274.452 3.772 20 0 CHADMP C[N@H+](Cc1cccc(OC(C)(C)C)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215920 1130893389 /nfs/dbraw/zinc/89/33/89/1130893389.db2.gz IUKWJCUKAUTRPA-SJORKVTESA-N 2 1 290.451 3.566 20 0 CHADMP C[N@@H+](Cc1cccc(OC(C)(C)C)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215920 1130893396 /nfs/dbraw/zinc/89/33/96/1130893396.db2.gz IUKWJCUKAUTRPA-SJORKVTESA-N 2 1 290.451 3.566 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216188 1130893598 /nfs/dbraw/zinc/89/35/98/1130893598.db2.gz IWLHHYIYEQSDHY-HZPDHXFCSA-N 2 1 288.460 3.911 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216188 1130893605 /nfs/dbraw/zinc/89/36/05/1130893605.db2.gz IWLHHYIYEQSDHY-HZPDHXFCSA-N 2 1 288.460 3.911 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3C[NH3+])cc2)cc1 ZINC001236247284 1130904463 /nfs/dbraw/zinc/90/44/63/1130904463.db2.gz QQGDGTBGWHVFHR-LJQANCHMSA-N 2 1 280.415 3.585 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CCC[C@@H]3C[NH3+])cc2)cc1 ZINC001236247284 1130904466 /nfs/dbraw/zinc/90/44/66/1130904466.db2.gz QQGDGTBGWHVFHR-LJQANCHMSA-N 2 1 280.415 3.585 20 0 CHADMP C[N@@H+](CCC[NH2+]C1CCCCC1)CCc1cccc(F)c1 ZINC001236267067 1130910434 /nfs/dbraw/zinc/91/04/34/1130910434.db2.gz XHOMUWGDMAORJO-UHFFFAOYSA-N 2 1 292.442 3.612 20 0 CHADMP CC/C=C\CCC[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236286676 1130910656 /nfs/dbraw/zinc/91/06/56/1130910656.db2.gz NSWLXODIMPTNTF-ARJAWSKDSA-N 2 1 286.463 3.987 20 0 CHADMP CC(C)(C)CC[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236286624 1130911693 /nfs/dbraw/zinc/91/16/93/1130911693.db2.gz NGTHZBKTKXSCNT-UHFFFAOYSA-N 2 1 274.452 3.677 20 0 CHADMP Cc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)s1 ZINC001236372017 1130922739 /nfs/dbraw/zinc/92/27/39/1130922739.db2.gz ABFKDOKLKMLOMN-OAHLLOKOSA-N 2 1 292.492 3.801 20 0 CHADMP CC[N@@H+](CC[C@@H](C)CCC=C(C)C)C[C@H]1CC[NH2+]C1 ZINC001236407945 1130931731 /nfs/dbraw/zinc/93/17/31/1130931731.db2.gz JRKVCOFXYYMFEN-IRXDYDNUSA-N 2 1 266.473 3.690 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cccc(-c2ccccc2)c1C ZINC001236421468 1130935608 /nfs/dbraw/zinc/93/56/08/1130935608.db2.gz HFOGFSHUCHHURL-LJQANCHMSA-N 2 1 294.442 3.846 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cccc(-c2ccccc2)c1C ZINC001236421468 1130935611 /nfs/dbraw/zinc/93/56/11/1130935611.db2.gz HFOGFSHUCHHURL-LJQANCHMSA-N 2 1 294.442 3.846 20 0 CHADMP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001236421930 1130936954 /nfs/dbraw/zinc/93/69/54/1130936954.db2.gz UNOXNOUNLKXOCL-XJKSGUPXSA-N 2 1 299.462 3.777 20 0 CHADMP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001236421930 1130936960 /nfs/dbraw/zinc/93/69/60/1130936960.db2.gz UNOXNOUNLKXOCL-XJKSGUPXSA-N 2 1 299.462 3.777 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3CCC[C@H]([NH3+])[C@@H]3C)cc2)c1 ZINC001236422608 1130937397 /nfs/dbraw/zinc/93/73/97/1130937397.db2.gz YRCZVRONLYAKIC-JXFKEZNVSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1cccc(-c2ccc(C[N@@H+]3CCC[C@H]([NH3+])[C@@H]3C)cc2)c1 ZINC001236422608 1130937401 /nfs/dbraw/zinc/93/74/01/1130937401.db2.gz YRCZVRONLYAKIC-JXFKEZNVSA-N 2 1 294.442 3.974 20 0 CHADMP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccccc1-c1ccccc1 ZINC001236422470 1130937441 /nfs/dbraw/zinc/93/74/41/1130937441.db2.gz WOIPWIVIHYAPOF-HNAYVOBHSA-N 2 1 280.415 3.665 20 0 CHADMP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccccc1-c1ccccc1 ZINC001236422470 1130937443 /nfs/dbraw/zinc/93/74/43/1130937443.db2.gz WOIPWIVIHYAPOF-HNAYVOBHSA-N 2 1 280.415 3.665 20 0 CHADMP C[C@H]1C[C@@H]1C[N@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001236449914 1130945371 /nfs/dbraw/zinc/94/53/71/1130945371.db2.gz DVTGFGNIUJDXAB-DZGCQCFKSA-N 2 1 292.854 3.550 20 0 CHADMP C[C@H]1C[C@@H]1C[N@@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001236449914 1130945375 /nfs/dbraw/zinc/94/53/75/1130945375.db2.gz DVTGFGNIUJDXAB-DZGCQCFKSA-N 2 1 292.854 3.550 20 0 CHADMP CC(C)(C)C[N@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC001236456312 1130946531 /nfs/dbraw/zinc/94/65/31/1130946531.db2.gz BWZFBGTVKYSMIO-UHFFFAOYSA-N 2 1 296.405 3.565 20 0 CHADMP CC(C)(C)C[N@@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC001236456312 1130946535 /nfs/dbraw/zinc/94/65/35/1130946535.db2.gz BWZFBGTVKYSMIO-UHFFFAOYSA-N 2 1 296.405 3.565 20 0 CHADMP C[C@@H](C[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1)c1ccccc1 ZINC001236454975 1130946575 /nfs/dbraw/zinc/94/65/75/1130946575.db2.gz PCCKFWMCNWCLKW-INIZCTEOSA-N 2 1 288.479 3.890 20 0 CHADMP CCC(CC)C[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236454294 1130947264 /nfs/dbraw/zinc/94/72/64/1130947264.db2.gz JJBUBAKCDBTWRK-UHFFFAOYSA-N 2 1 254.462 3.523 20 0 CHADMP CC(C)C[N@H+](Cc1ccc2occc2c1)[C@@H]1CCC[NH2+]C1 ZINC001236477600 1130951209 /nfs/dbraw/zinc/95/12/09/1130951209.db2.gz HTNXFJMDVMZAIE-QGZVFWFLSA-N 2 1 286.419 3.643 20 0 CHADMP CC(C)C[N@@H+](Cc1ccc2occc2c1)[C@@H]1CCC[NH2+]C1 ZINC001236477600 1130951215 /nfs/dbraw/zinc/95/12/15/1130951215.db2.gz HTNXFJMDVMZAIE-QGZVFWFLSA-N 2 1 286.419 3.643 20 0 CHADMP Cc1ccccc1C[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236542432 1130969320 /nfs/dbraw/zinc/96/93/20/1130969320.db2.gz WEYIMAMCVHUAIY-WGSAOQKQSA-N 2 1 286.463 3.867 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCc2cccs2)CC2CCC2)CC1 ZINC001236541448 1130969363 /nfs/dbraw/zinc/96/93/63/1130969363.db2.gz KVYMQHMHJPEMQI-WKILWMFISA-N 2 1 292.492 3.663 20 0 CHADMP CC1=C[C@@H](C)[C@H](C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001236550764 1130973003 /nfs/dbraw/zinc/97/30/03/1130973003.db2.gz GXPASSPIWZRITQ-QXCFHYIPSA-N 2 1 290.495 3.961 20 0 CHADMP Cc1cc(F)ccc1C[N@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551870 1130973575 /nfs/dbraw/zinc/97/35/75/1130973575.db2.gz MWBBDRMAWGIDMF-IYARVYRRSA-N 2 1 292.442 3.862 20 0 CHADMP CC(C)CCC[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551654 1130973695 /nfs/dbraw/zinc/97/36/95/1130973695.db2.gz SRFWTZHMFYMKQB-WKILWMFISA-N 2 1 254.462 3.651 20 0 CHADMP CCc1ccccc1C[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236553308 1130974489 /nfs/dbraw/zinc/97/44/89/1130974489.db2.gz ZYBXSPVLLHBWFA-WGSAOQKQSA-N 2 1 288.479 3.977 20 0 CHADMP Cc1cc(C[N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cs1 ZINC001236554474 1130974947 /nfs/dbraw/zinc/97/49/47/1130974947.db2.gz GQXXKIULDBMTET-WKILWMFISA-N 2 1 280.481 3.784 20 0 CHADMP Cc1cccc(C[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c1F ZINC001236572451 1130978884 /nfs/dbraw/zinc/97/88/84/1130978884.db2.gz PMJGJMGAQJFWNT-JCNLHEQBSA-N 2 1 290.426 3.759 20 0 CHADMP Cc1cccc(CC[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236571916 1130978930 /nfs/dbraw/zinc/97/89/30/1130978930.db2.gz JXSYMBQMHWLBIY-UAPYVXQJSA-N 2 1 286.463 3.662 20 0 CHADMP C[C@@H](CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1)CC(C)(C)C ZINC001236584551 1130980745 /nfs/dbraw/zinc/98/07/45/1130980745.db2.gz LURVNLRTXIGCKM-JKSUJKDBSA-N 2 1 280.500 3.913 20 0 CHADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC001236605869 1130983284 /nfs/dbraw/zinc/98/32/84/1130983284.db2.gz WGZYPANCYSAAFJ-LJQANCHMSA-N 2 1 294.398 3.757 20 0 CHADMP Fc1cc(Cl)ccc1C[N@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236633990 1130986517 /nfs/dbraw/zinc/98/65/17/1130986517.db2.gz NSEODBHMHCEABP-UHFFFAOYSA-N 2 1 296.817 3.586 20 0 CHADMP Fc1cc(Cl)ccc1C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236633990 1130986521 /nfs/dbraw/zinc/98/65/21/1130986521.db2.gz NSEODBHMHCEABP-UHFFFAOYSA-N 2 1 296.817 3.586 20 0 CHADMP CCCC[N@@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236714976 1130998466 /nfs/dbraw/zinc/99/84/66/1130998466.db2.gz RHUWTBOHPYVWHB-IYARVYRRSA-N 2 1 274.452 3.867 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000815552677 1130998761 /nfs/dbraw/zinc/99/87/61/1130998761.db2.gz HLXHXMOWLGXZJA-AWEZNQCLSA-N 2 1 266.404 3.517 20 0 CHADMP Cc1cccc(C[N@H+](C[C@H]2C[C@@H]2C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236725743 1131000822 /nfs/dbraw/zinc/00/08/22/1131000822.db2.gz DUQUAGKYYBCIOX-NQYYFHDYSA-N 2 1 286.463 3.723 20 0 CHADMP CS[C@@H](C)CC[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236767364 1131004085 /nfs/dbraw/zinc/00/40/85/1131004085.db2.gz IAZOHJWEKDPNGY-KKUMJFAQSA-N 2 1 286.529 3.746 20 0 CHADMP CS[C@H](C)CC[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236767388 1131005229 /nfs/dbraw/zinc/00/52/29/1131005229.db2.gz IAZOHJWEKDPNGY-RBSFLKMASA-N 2 1 286.529 3.746 20 0 CHADMP CCC(CC)[N@@H+](Cc1[nH]cc(C)c1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236781604 1131005753 /nfs/dbraw/zinc/00/57/53/1131005753.db2.gz GDUYVGKBBCJTEJ-JCNLHEQBSA-N 2 1 291.483 3.892 20 0 CHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3-c3ccccc3)C[C@@H]12 ZINC001236829891 1131015394 /nfs/dbraw/zinc/01/53/94/1131015394.db2.gz LJWWNQDYLPKSGV-DFQSSKMNSA-N 2 1 292.426 3.523 20 0 CHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(C4CCCCC4)cc3)C[C@H]12 ZINC001236833746 1131019410 /nfs/dbraw/zinc/01/94/10/1131019410.db2.gz ZRAWGLMCMORGAV-HSALFYBXSA-N 2 1 298.474 3.903 20 0 CHADMP CCC[N@@H+](Cc1ccc(Cl)c(C)c1F)C[C@H]1CC[NH2+]C1 ZINC001236843623 1131020636 /nfs/dbraw/zinc/02/06/36/1131020636.db2.gz LDHFNOWTGGMBTF-ZDUSSCGKSA-N 2 1 298.833 3.609 20 0 CHADMP CCC[N@H+](Cc1ccc(Cl)c(C)c1F)C[C@H]1CC[NH2+]C1 ZINC001236843623 1131020639 /nfs/dbraw/zinc/02/06/39/1131020639.db2.gz LDHFNOWTGGMBTF-ZDUSSCGKSA-N 2 1 298.833 3.609 20 0 CHADMP CCC[N@H+](Cc1ccc(CC(C)C)cc1)C[C@H]1CC[NH2+]C1 ZINC001236843475 1131021294 /nfs/dbraw/zinc/02/12/94/1131021294.db2.gz OZIGJFGCFLLQMA-IBGZPJMESA-N 2 1 288.479 3.707 20 0 CHADMP CCC[N@H+](Cc1c(C)cc(Cl)cc1C)C[C@@H]1CC[NH2+]C1 ZINC001236842950 1131021939 /nfs/dbraw/zinc/02/19/39/1131021939.db2.gz IGNAZSXHRNHDDX-OAHLLOKOSA-N 2 1 294.870 3.778 20 0 CHADMP C[C@H]([NH3+])C[N@H+](C)Cc1ccccc1-c1ccccc1Cl ZINC001236895248 1131030005 /nfs/dbraw/zinc/03/00/05/1131030005.db2.gz NXPPSJFEWCDZPC-ZDUSSCGKSA-N 2 1 288.822 3.786 20 0 CHADMP C[C@H]([NH3+])C[N@@H+](C)Cc1ccccc1-c1ccccc1Cl ZINC001236895248 1131030011 /nfs/dbraw/zinc/03/00/11/1131030011.db2.gz NXPPSJFEWCDZPC-ZDUSSCGKSA-N 2 1 288.822 3.786 20 0 CHADMP Cc1c(C)c(C)c(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c(C)c1C ZINC001237055233 1131042443 /nfs/dbraw/zinc/04/24/43/1131042443.db2.gz BPQBUKUBWLRTCQ-LJQANCHMSA-N 2 1 288.479 3.790 20 0 CHADMP C[C@H](CC[N@H+]1CCC[C@](C)(C[NH3+])C1)CC(C)(C)C ZINC001237056073 1131042860 /nfs/dbraw/zinc/04/28/60/1131042860.db2.gz FXKOWMFEGZVKCF-GDBMZVCRSA-N 2 1 254.462 3.510 20 0 CHADMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)cc1 ZINC001237058535 1131043765 /nfs/dbraw/zinc/04/37/65/1131043765.db2.gz QHFJZBYZTCQDQT-SFHVURJKSA-N 2 1 274.452 3.545 20 0 CHADMP Cc1c(C)c(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)ccc1Cl ZINC001237082908 1131047201 /nfs/dbraw/zinc/04/72/01/1131047201.db2.gz URGIYZJISJXPSN-MRXNPFEDSA-N 2 1 280.843 3.518 20 0 CHADMP Cc1c(C)c(C[N@H+]2CCC[C@](C)(C[NH3+])C2)ccc1Cl ZINC001237082908 1131047207 /nfs/dbraw/zinc/04/72/07/1131047207.db2.gz URGIYZJISJXPSN-MRXNPFEDSA-N 2 1 280.843 3.518 20 0 CHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc3c(F)cccc23)C1 ZINC001237081830 1131048121 /nfs/dbraw/zinc/04/81/21/1131048121.db2.gz MUYDHVVFAPDJIB-SFHVURJKSA-N 2 1 286.394 3.540 20 0 CHADMP CCC[C@@H](C)C[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001237359072 1131090425 /nfs/dbraw/zinc/09/04/25/1131090425.db2.gz MVCLUCMYJTXVOD-OAHLLOKOSA-N 2 1 272.436 3.517 20 0 CHADMP CC(C)(C)c1cccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237402908 1131094040 /nfs/dbraw/zinc/09/40/40/1131094040.db2.gz JIRDMXLWNGTBMW-SJLPKXTDSA-N 2 1 286.463 3.558 20 0 CHADMP CC(C)(C)c1cccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237402908 1131094044 /nfs/dbraw/zinc/09/40/44/1131094044.db2.gz JIRDMXLWNGTBMW-SJLPKXTDSA-N 2 1 286.463 3.558 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c2ccccc12 ZINC001237389107 1131094886 /nfs/dbraw/zinc/09/48/86/1131094886.db2.gz FSMDPPCAMJERQM-FXAWDEMLSA-N 2 1 294.442 3.722 20 0 CHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@H]1CCc2c1cccc2F ZINC001116195865 1131133404 /nfs/dbraw/zinc/13/34/04/1131133404.db2.gz QMWXUAPYRHUJPX-KSSFIOAISA-N 2 1 290.426 3.619 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CCc2c1cccc2F ZINC001116195865 1131133405 /nfs/dbraw/zinc/13/34/05/1131133405.db2.gz QMWXUAPYRHUJPX-KSSFIOAISA-N 2 1 290.426 3.619 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@H]1CCc2c1cccc2F ZINC001116195865 1131133408 /nfs/dbraw/zinc/13/34/08/1131133408.db2.gz QMWXUAPYRHUJPX-KSSFIOAISA-N 2 1 290.426 3.619 20 0 CHADMP CC[N@H+](CCC[NH+](C)C)Cc1cc(C)c(Cl)c(C)c1 ZINC001238092958 1131170610 /nfs/dbraw/zinc/17/06/10/1131170610.db2.gz OJRWLGCVKLXXPT-UHFFFAOYSA-N 2 1 282.859 3.730 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc(C)c(Cl)c(C)c1 ZINC001238092958 1131170613 /nfs/dbraw/zinc/17/06/13/1131170613.db2.gz OJRWLGCVKLXXPT-UHFFFAOYSA-N 2 1 282.859 3.730 20 0 CHADMP Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cccc2c[nH+]cn21 ZINC001238106579 1131172436 /nfs/dbraw/zinc/17/24/36/1131172436.db2.gz KXSQEAWSFHRDTJ-IBGZPJMESA-N 2 1 291.398 3.980 20 0 CHADMP Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238106579 1131172438 /nfs/dbraw/zinc/17/24/38/1131172438.db2.gz KXSQEAWSFHRDTJ-IBGZPJMESA-N 2 1 291.398 3.980 20 0 CHADMP CC[C@@H]1c2ccccc2CC[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238105780 1131172902 /nfs/dbraw/zinc/17/29/02/1131172902.db2.gz FIRBMVJNHMNHLA-LJQANCHMSA-N 2 1 291.398 3.844 20 0 CHADMP CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cccc2c[nH+]cn21 ZINC001238105780 1131172905 /nfs/dbraw/zinc/17/29/05/1131172905.db2.gz FIRBMVJNHMNHLA-LJQANCHMSA-N 2 1 291.398 3.844 20 0 CHADMP CC[N@@H+](CCn1ccnc1)Cc1ccc(Cl)c(C)c1C ZINC001238223652 1131184981 /nfs/dbraw/zinc/18/49/81/1131184981.db2.gz RAUKODASNGTUTM-UHFFFAOYSA-N 2 1 291.826 3.675 20 0 CHADMP Cc1cccc(C)c1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000817908046 1131187202 /nfs/dbraw/zinc/18/72/02/1131187202.db2.gz MQGASSUQYHSNTC-QZTJIDSGSA-N 2 1 266.388 3.538 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccccc2Cl)C1 ZINC001117639461 1131189973 /nfs/dbraw/zinc/18/99/73/1131189973.db2.gz HTGVJGDJBWJOCD-LSDHHAIUSA-N 2 1 294.870 3.591 20 0 CHADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(SC(F)F)cc1 ZINC000817965052 1131194235 /nfs/dbraw/zinc/19/42/35/1131194235.db2.gz ODVBRYRMCUJUJP-SNVBAGLBSA-N 2 1 286.391 3.533 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001171018910 1131429225 /nfs/dbraw/zinc/42/92/25/1131429225.db2.gz UAGUMUGEEBVRBW-MOPGFXCFSA-N 2 1 288.479 3.986 20 0 CHADMP CCC(C)(C)C1CCC([NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC001246323132 1131467863 /nfs/dbraw/zinc/46/78/63/1131467863.db2.gz ABLHYTHFBDTPEO-LBDPXKHJSA-N 2 1 266.473 3.569 20 0 CHADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C1CCC(C(C)(C)C)CC1 ZINC001246344395 1131480222 /nfs/dbraw/zinc/48/02/22/1131480222.db2.gz JQLMVQGJGFIMKT-RUXDESIVSA-N 2 1 254.462 3.554 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC001138542635 1131519196 /nfs/dbraw/zinc/51/91/96/1131519196.db2.gz DEVOBTYLGXETFP-GASCZTMLSA-N 2 1 283.419 3.944 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC001138542635 1131519200 /nfs/dbraw/zinc/51/92/00/1131519200.db2.gz DEVOBTYLGXETFP-GASCZTMLSA-N 2 1 283.419 3.944 20 0 CHADMP CC[C@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3C)cc2)C1 ZINC001138548819 1131519861 /nfs/dbraw/zinc/51/98/61/1131519861.db2.gz NEJYTJXVCWSOJN-INIZCTEOSA-N 2 1 283.419 3.803 20 0 CHADMP CC[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138548819 1131519867 /nfs/dbraw/zinc/51/98/67/1131519867.db2.gz NEJYTJXVCWSOJN-INIZCTEOSA-N 2 1 283.419 3.803 20 0 CHADMP CC[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138548819 1131519871 /nfs/dbraw/zinc/51/98/71/1131519871.db2.gz NEJYTJXVCWSOJN-INIZCTEOSA-N 2 1 283.419 3.803 20 0 CHADMP CC(C)C[C@@H](C[NH3+])[NH2+]C1CCC2(CCCCC2)CC1 ZINC001246503875 1131532704 /nfs/dbraw/zinc/53/27/04/1131532704.db2.gz MAQPVQXREMAEEO-INIZCTEOSA-N 2 1 266.473 3.843 20 0 CHADMP Cc1nc(C)c([C@@H](C)[N@@H+](C)CCCCCCC[NH3+])s1 ZINC000844222045 1131537291 /nfs/dbraw/zinc/53/72/91/1131537291.db2.gz RKKQCJFCFHIBNW-CYBMUJFWSA-N 2 1 283.485 3.662 20 0 CHADMP CCCCc1ccc(C[N@H+](CC)CCC[NH+](C)C)s1 ZINC001138755802 1131546900 /nfs/dbraw/zinc/54/69/00/1131546900.db2.gz SQGAOZXWRYSAGE-UHFFFAOYSA-N 2 1 282.497 3.864 20 0 CHADMP CCCCc1ccc(C[N@@H+](CC)CCC[NH+](C)C)s1 ZINC001138755802 1131546902 /nfs/dbraw/zinc/54/69/02/1131546902.db2.gz SQGAOZXWRYSAGE-UHFFFAOYSA-N 2 1 282.497 3.864 20 0 CHADMP CCCC[N@@H+](CCC)Cc1ccc(-n2ccnc2)cc1 ZINC001139360181 1131605193 /nfs/dbraw/zinc/60/51/93/1131605193.db2.gz JUDLFHGOTJHTBZ-UHFFFAOYSA-N 2 1 271.408 3.884 20 0 CHADMP CCCCC[C@H](CCC)[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001246550744 1131606331 /nfs/dbraw/zinc/60/63/31/1131606331.db2.gz KRJSLTHIMITOKD-XHSDSOJGSA-N 2 1 254.462 3.652 20 0 CHADMP C[C@@H]1CC[N@H+]([C@H]2CCCC3(CCCCC3)C2)C[C@H]1C[NH3+] ZINC001246554293 1131612960 /nfs/dbraw/zinc/61/29/60/1131612960.db2.gz UYYHFKDVZLCTJU-ZACQAIPSSA-N 2 1 278.484 3.796 20 0 CHADMP C[C@@H]1CCCC[N@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246557875 1131620287 /nfs/dbraw/zinc/62/02/87/1131620287.db2.gz LQLASSOJHNABMA-HZPDHXFCSA-N 2 1 264.457 3.563 20 0 CHADMP C[C@H]1C[N@H+](C2CCC3(CCCC3)CC2)CCC[C@@H]1C[NH3+] ZINC001246560416 1131622553 /nfs/dbraw/zinc/62/25/53/1131622553.db2.gz GIGGXIKDEDHPQP-JKSUJKDBSA-N 2 1 278.484 3.796 20 0 CHADMP CCCCC[C@H](CC)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246562597 1131623241 /nfs/dbraw/zinc/62/32/41/1131623241.db2.gz VVGLDFJYKAWXJH-XHSDSOJGSA-N 2 1 254.462 3.652 20 0 CHADMP CCCC1CCC([N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)CC1 ZINC001246563341 1131624206 /nfs/dbraw/zinc/62/42/06/1131624206.db2.gz WUSMVFDDMKGZDD-GYXIZQIFSA-N 2 1 266.473 3.652 20 0 CHADMP Cc1nccn1-c1ccccc1C[N@H+]1CCCC[C@H](F)C1 ZINC001140022415 1131657428 /nfs/dbraw/zinc/65/74/28/1131657428.db2.gz DBQXATOTCBWXES-INIZCTEOSA-N 2 1 287.382 3.505 20 0 CHADMP Cc1nccn1-c1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC001140023723 1131657520 /nfs/dbraw/zinc/65/75/20/1131657520.db2.gz XCHQIUCJLBOEIH-CQSZACIVSA-N 2 1 269.392 3.555 20 0 CHADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C)[C@H](C)C2)CC[NH2+]1 ZINC001246577088 1131667200 /nfs/dbraw/zinc/66/72/00/1131667200.db2.gz VEKADWLTWPZCNZ-QBPKDAKJSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@@]1(C[NH3+])CCC[N@H+](C2CCC(C(F)(F)F)CC2)CC1 ZINC001246578545 1131671757 /nfs/dbraw/zinc/67/17/57/1131671757.db2.gz RVGAQDPMZNQMCO-JXQTWKCFSA-N 2 1 292.389 3.558 20 0 CHADMP Cc1ccccc1C[C@@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000846218315 1131700609 /nfs/dbraw/zinc/70/06/09/1131700609.db2.gz QJQKAQCQXAEZRC-SFHVURJKSA-N 2 1 274.452 3.521 20 0 CHADMP COc1ccccc1[C@@H]1CCCC[N@H+]1CCCCCC[NH3+] ZINC000846218835 1131700683 /nfs/dbraw/zinc/70/06/83/1131700683.db2.gz YKDKXMPAWVYVSB-KRWDZBQOSA-N 2 1 290.451 3.741 20 0 CHADMP CCCCC[C@H](C)[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001246592726 1131707575 /nfs/dbraw/zinc/70/75/75/1131707575.db2.gz LHNYFHCDSBNLRR-HOTGVXAUSA-N 2 1 254.462 3.808 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246595236 1131709829 /nfs/dbraw/zinc/70/98/29/1131709829.db2.gz SIAIJQKFKMWGIN-JYJNAYRXSA-N 2 1 254.462 3.652 20 0 CHADMP CC(C)[N@@H+]([C@H]1CC[C@@H](C)[C@H](C)C1)[C@H]1CCC[NH2+]CC1 ZINC001246595919 1131710330 /nfs/dbraw/zinc/71/03/30/1131710330.db2.gz UFKAVLUQOMPHCP-NCOADZHNSA-N 2 1 266.473 3.664 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCC[N@H+](C)CC(C)C ZINC001203031978 1131712025 /nfs/dbraw/zinc/71/20/25/1131712025.db2.gz MOHQSKVRIKJTAB-DLBZAZTESA-N 2 1 266.473 3.546 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1)C1CC1 ZINC000834908359 1131729774 /nfs/dbraw/zinc/72/97/74/1131729774.db2.gz DESUMNOLYJACSM-IXDOHACOSA-N 2 1 278.484 3.809 20 0 CHADMP CCCC[C@H](CC(C)C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001246637596 1131756616 /nfs/dbraw/zinc/75/66/16/1131756616.db2.gz GUWKLDAULHBFJG-MRXNPFEDSA-N 2 1 266.473 3.667 20 0 CHADMP CCCCCC[C@@H](C)[N@H+]1CCCC12CC[NH2+]CC2 ZINC001246653322 1131777849 /nfs/dbraw/zinc/77/78/49/1131777849.db2.gz MCZCUNIKHBIZAI-OAHLLOKOSA-N 2 1 252.446 3.563 20 0 CHADMP C[C@H](Cc1ccccc1Cl)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001246795930 1131784154 /nfs/dbraw/zinc/78/41/54/1131784154.db2.gz JHZNHXRCFJAYTD-CQSZACIVSA-N 2 1 294.870 3.593 20 0 CHADMP CCC[N@@H+](CC(C)C)[C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246912770 1131814034 /nfs/dbraw/zinc/81/40/34/1131814034.db2.gz SRDDMFJPVFFWRJ-MUJYYYPQSA-N 2 1 254.462 3.664 20 0 CHADMP CCCC[C@@H](CCC)[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001246977846 1131831243 /nfs/dbraw/zinc/83/12/43/1131831243.db2.gz RIEHHTRLQBIZFE-OAHLLOKOSA-N 2 1 266.473 3.952 20 0 CHADMP CCCC[C@@H]1C[C@@H]([N@@H+](C)[C@H]2CC[C@H](C)CC2)CC[NH2+]1 ZINC001246995027 1131837889 /nfs/dbraw/zinc/83/78/89/1131837889.db2.gz FELLKIDXSUHQBZ-VQHPVUNQSA-N 2 1 266.473 3.808 20 0 CHADMP C1CCC2(C1)CCC([N@@H+]1CC[C@@H]3[NH2+]CCC[C@H]3C1)CC2 ZINC001247016801 1131841327 /nfs/dbraw/zinc/84/13/27/1131841327.db2.gz XXQHHQWWFRNTQT-RDJZCZTQSA-N 2 1 276.468 3.563 20 0 CHADMP C1CCC2(C1)CCC([N@H+]1CC[C@@H]3[NH2+]CCC[C@H]3C1)CC2 ZINC001247016801 1131841332 /nfs/dbraw/zinc/84/13/32/1131841332.db2.gz XXQHHQWWFRNTQT-RDJZCZTQSA-N 2 1 276.468 3.563 20 0 CHADMP COc1ccc([C@@H](C)[N@H+](C)Cc2c[nH]c3cc[nH+]cc23)cc1 ZINC001140804837 1131931115 /nfs/dbraw/zinc/93/11/15/1131931115.db2.gz HKQLOLOIMKUJGG-CYBMUJFWSA-N 2 1 295.386 3.765 20 0 CHADMP COc1ccc([C@@H](C)[N@@H+](C)Cc2c[nH]c3cc[nH+]cc23)cc1 ZINC001140804837 1131931122 /nfs/dbraw/zinc/93/11/22/1131931122.db2.gz HKQLOLOIMKUJGG-CYBMUJFWSA-N 2 1 295.386 3.765 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc[nH]2)cc1 ZINC000773113133 1131949108 /nfs/dbraw/zinc/94/91/08/1131949108.db2.gz AGUJEHCQEISQRY-KGLIPLIRSA-N 2 1 294.402 3.921 20 0 CHADMP c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]([NH2+][C@H]2CC=CCC2)C3)cc1 ZINC000716627724 1132028159 /nfs/dbraw/zinc/02/81/59/1132028159.db2.gz UAEDTMCYAWTRGH-MUGJNUQGSA-N 2 1 296.458 3.738 20 0 CHADMP C1=C[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000716694227 1132028518 /nfs/dbraw/zinc/02/85/18/1132028518.db2.gz RXQMHMAWRPAOLN-MDNKFWRPSA-N 2 1 296.458 3.595 20 0 CHADMP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@H]3CCC[C@@H]3C2)CC1(C)C ZINC001171632282 1132063065 /nfs/dbraw/zinc/06/30/65/1132063065.db2.gz YQAOHALLAVTBIW-HUUCEWRRSA-N 2 1 278.484 3.760 20 0 CHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@H]3CCC[C@@H]3C2)CC1(C)C ZINC001171632282 1132063071 /nfs/dbraw/zinc/06/30/71/1132063071.db2.gz YQAOHALLAVTBIW-HUUCEWRRSA-N 2 1 278.484 3.760 20 0 CHADMP Cc1ccc(CC[C@@H](C)[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC001171675810 1132076455 /nfs/dbraw/zinc/07/64/55/1132076455.db2.gz UAFRYRRQVCWTOX-QGZVFWFLSA-N 2 1 288.479 3.590 20 0 CHADMP CC1(C)C[C@@H]([NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171975718 1132117723 /nfs/dbraw/zinc/11/77/23/1132117723.db2.gz DZJILNRLWCUODU-SFHVURJKSA-N 2 1 286.463 3.916 20 0 CHADMP CC1(C)C[C@@H]([NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171975718 1132117725 /nfs/dbraw/zinc/11/77/25/1132117725.db2.gz DZJILNRLWCUODU-SFHVURJKSA-N 2 1 286.463 3.916 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172100552 1132124927 /nfs/dbraw/zinc/12/49/27/1132124927.db2.gz DYOIEYYOWBZRQX-LEUOFYLZSA-N 2 1 272.436 3.661 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172100552 1132124929 /nfs/dbraw/zinc/12/49/29/1132124929.db2.gz DYOIEYYOWBZRQX-LEUOFYLZSA-N 2 1 272.436 3.661 20 0 CHADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](C)C/C=C/c1ccccc1)C2 ZINC001172127304 1132124979 /nfs/dbraw/zinc/12/49/79/1132124979.db2.gz HRGDSVLEGMYEOR-LLCVSMFYSA-N 2 1 284.447 3.647 20 0 CHADMP C[N@H+](C/C=C/c1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127304 1132124989 /nfs/dbraw/zinc/12/49/89/1132124989.db2.gz HRGDSVLEGMYEOR-LLCVSMFYSA-N 2 1 284.447 3.647 20 0 CHADMP C[N@@H+](C/C=C/c1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127304 1132124992 /nfs/dbraw/zinc/12/49/92/1132124992.db2.gz HRGDSVLEGMYEOR-LLCVSMFYSA-N 2 1 284.447 3.647 20 0 CHADMP C[NH+](C/C=C/c1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172127304 1132124993 /nfs/dbraw/zinc/12/49/93/1132124993.db2.gz HRGDSVLEGMYEOR-LLCVSMFYSA-N 2 1 284.447 3.647 20 0 CHADMP C[NH+](C/C=C/c1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172127304 1132124997 /nfs/dbraw/zinc/12/49/97/1132124997.db2.gz HRGDSVLEGMYEOR-LLCVSMFYSA-N 2 1 284.447 3.647 20 0 CHADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](C)C/C=C/c1ccccc1)C2 ZINC001172127302 1132125076 /nfs/dbraw/zinc/12/50/76/1132125076.db2.gz HRGDSVLEGMYEOR-AZQHWYKZSA-N 2 1 284.447 3.647 20 0 CHADMP C[N@H+](C/C=C/c1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127302 1132125085 /nfs/dbraw/zinc/12/50/85/1132125085.db2.gz HRGDSVLEGMYEOR-AZQHWYKZSA-N 2 1 284.447 3.647 20 0 CHADMP C[N@@H+](C/C=C/c1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127302 1132125088 /nfs/dbraw/zinc/12/50/88/1132125088.db2.gz HRGDSVLEGMYEOR-AZQHWYKZSA-N 2 1 284.447 3.647 20 0 CHADMP C[NH+](C/C=C/c1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172127302 1132125091 /nfs/dbraw/zinc/12/50/91/1132125091.db2.gz HRGDSVLEGMYEOR-AZQHWYKZSA-N 2 1 284.447 3.647 20 0 CHADMP C[NH+](C/C=C/c1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172127302 1132125096 /nfs/dbraw/zinc/12/50/96/1132125096.db2.gz HRGDSVLEGMYEOR-AZQHWYKZSA-N 2 1 284.447 3.647 20 0 CHADMP C[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172069298 1132125687 /nfs/dbraw/zinc/12/56/87/1132125687.db2.gz OTKKVQJDUCTQIQ-LMCOJAPRSA-N 2 1 298.474 3.914 20 0 CHADMP C[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172069298 1132125692 /nfs/dbraw/zinc/12/56/92/1132125692.db2.gz OTKKVQJDUCTQIQ-LMCOJAPRSA-N 2 1 298.474 3.914 20 0 CHADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172069298 1132125695 /nfs/dbraw/zinc/12/56/95/1132125695.db2.gz OTKKVQJDUCTQIQ-LMCOJAPRSA-N 2 1 298.474 3.914 20 0 CHADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172069298 1132125702 /nfs/dbraw/zinc/12/57/02/1132125702.db2.gz OTKKVQJDUCTQIQ-LMCOJAPRSA-N 2 1 298.474 3.914 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCCC3(CC(F)C3)CC1)C2 ZINC001172127327 1132125729 /nfs/dbraw/zinc/12/57/29/1132125729.db2.gz HZRXJOARFZXHDX-UHQQODTQSA-N 2 1 294.458 3.606 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCC3(CC(F)C3)CC1)C2 ZINC001172127327 1132125734 /nfs/dbraw/zinc/12/57/34/1132125734.db2.gz HZRXJOARFZXHDX-UHQQODTQSA-N 2 1 294.458 3.606 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H]3CCCC[C@@H]3C1)C2 ZINC001172131037 1132127808 /nfs/dbraw/zinc/12/78/08/1132127808.db2.gz UCVHNSNFTYFCNE-DZVNLGKHSA-N 2 1 276.468 3.514 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@H]3CCCC[C@@H]3C1)C2 ZINC001172131037 1132127811 /nfs/dbraw/zinc/12/78/11/1132127811.db2.gz UCVHNSNFTYFCNE-DZVNLGKHSA-N 2 1 276.468 3.514 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@H]3CCCC[C@@H]3C1)C2 ZINC001172131037 1132127817 /nfs/dbraw/zinc/12/78/17/1132127817.db2.gz UCVHNSNFTYFCNE-DZVNLGKHSA-N 2 1 276.468 3.514 20 0 CHADMP C[C@H]1CC[C@H]([N@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172130243 1132128472 /nfs/dbraw/zinc/12/84/72/1132128472.db2.gz HUAGDWBBWUCPMB-KTBIRVAVSA-N 2 1 264.457 3.512 20 0 CHADMP C[C@H]1CC[C@H]([N@@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172130243 1132128475 /nfs/dbraw/zinc/12/84/75/1132128475.db2.gz HUAGDWBBWUCPMB-KTBIRVAVSA-N 2 1 264.457 3.512 20 0 CHADMP C[C@H]1CC[C@H]([NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172130243 1132128479 /nfs/dbraw/zinc/12/84/79/1132128479.db2.gz HUAGDWBBWUCPMB-KTBIRVAVSA-N 2 1 264.457 3.512 20 0 CHADMP C[C@H]1CC[C@H]([NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172130243 1132128483 /nfs/dbraw/zinc/12/84/83/1132128483.db2.gz HUAGDWBBWUCPMB-KTBIRVAVSA-N 2 1 264.457 3.512 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC(C)(C)C1 ZINC001172104647 1132129186 /nfs/dbraw/zinc/12/91/86/1132129186.db2.gz DQWBEKCEUGVCSM-UHDSXZAQSA-N 2 1 278.484 3.806 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC(C)(C)C1 ZINC001172104647 1132129191 /nfs/dbraw/zinc/12/91/91/1132129191.db2.gz DQWBEKCEUGVCSM-UHDSXZAQSA-N 2 1 278.484 3.806 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC(C)(C)C1 ZINC001172104646 1132129809 /nfs/dbraw/zinc/12/98/09/1132129809.db2.gz DQWBEKCEUGVCSM-OVYGPGRDSA-N 2 1 278.484 3.806 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC(C)(C)C1 ZINC001172104646 1132129814 /nfs/dbraw/zinc/12/98/14/1132129814.db2.gz DQWBEKCEUGVCSM-OVYGPGRDSA-N 2 1 278.484 3.806 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)C2 ZINC001172110358 1132129821 /nfs/dbraw/zinc/12/98/21/1132129821.db2.gz LOXHBCBVRLHVTN-CLLJXQQHSA-N 2 1 292.389 3.570 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c2ccccc21 ZINC001172105951 1132130528 /nfs/dbraw/zinc/13/05/28/1132130528.db2.gz LNWCGVFRWDNKLH-RMWBKXBUSA-N 2 1 284.447 3.840 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC001172105951 1132130531 /nfs/dbraw/zinc/13/05/31/1132130531.db2.gz LNWCGVFRWDNKLH-RMWBKXBUSA-N 2 1 284.447 3.840 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(c3ccccc3)CCC1)C2 ZINC001172118794 1132131378 /nfs/dbraw/zinc/13/13/78/1132131378.db2.gz SVTVGMPICYRTSY-NNZMDNLPSA-N 2 1 284.447 3.671 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(c3ccccc3)CCC1)C2 ZINC001172118794 1132131382 /nfs/dbraw/zinc/13/13/82/1132131382.db2.gz SVTVGMPICYRTSY-NNZMDNLPSA-N 2 1 284.447 3.671 20 0 CHADMP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172111525 1132131891 /nfs/dbraw/zinc/13/18/91/1132131891.db2.gz RYLZSDDOPAZQCX-OWYHZJEWSA-N 2 1 286.463 3.969 20 0 CHADMP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172111525 1132131895 /nfs/dbraw/zinc/13/18/95/1132131895.db2.gz RYLZSDDOPAZQCX-OWYHZJEWSA-N 2 1 286.463 3.969 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1CCCc3ccccc31)C2 ZINC001172111568 1132134516 /nfs/dbraw/zinc/13/45/16/1132134516.db2.gz VMFKOEZHUPYPTE-AKHDSKFASA-N 2 1 298.474 3.711 20 0 CHADMP C[NH2+]Cc1ccc2c(ccn2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172121894 1132135474 /nfs/dbraw/zinc/13/54/74/1132135474.db2.gz VGKUMPLEOZTKGI-PIIMJCKOSA-N 2 1 297.446 3.549 20 0 CHADMP CCCCCC[C@@H](CCC)[NH2+]CCn1cc[nH+]c1C ZINC001172377431 1132170088 /nfs/dbraw/zinc/17/00/88/1132170088.db2.gz BWJXQEANKSZZHU-MRXNPFEDSA-N 2 1 265.445 3.920 20 0 CHADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001172358136 1132187141 /nfs/dbraw/zinc/18/71/41/1132187141.db2.gz DONTXSRYFVDXGB-BZUAXINKSA-N 2 1 254.462 3.523 20 0 CHADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@@H](C)[C@H](C)C2)[C@H](C)C1 ZINC001172365743 1132191769 /nfs/dbraw/zinc/19/17/69/1132191769.db2.gz CVKOQERFWFOAPG-OVYGPGRDSA-N 2 1 266.473 3.520 20 0 CHADMP C[C@@H]1CC[C@H]([N@H+]2CCCC[C@@H](CCC[NH3+])C2)C[C@@H]1C ZINC001172366845 1132192215 /nfs/dbraw/zinc/19/22/15/1132192215.db2.gz HTJGEPXCZBAGNH-QZWWFDLISA-N 2 1 266.473 3.652 20 0 CHADMP CC[C@H](CC(C)C)[N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172398500 1132221226 /nfs/dbraw/zinc/22/12/26/1132221226.db2.gz HCJJUQFZCBEFOX-BRWVUGGUSA-N 2 1 296.499 3.562 20 0 CHADMP CC(C)COCC[C@H](C)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172469934 1132224583 /nfs/dbraw/zinc/22/45/83/1132224583.db2.gz YBRWQZVMQQFFRH-BQFCYCMXSA-N 2 1 296.499 3.562 20 0 CHADMP COc1ccc2c(NCCCC[N@@H+](C)C3CC3)cc[nH+]c2c1 ZINC000840316179 1132256293 /nfs/dbraw/zinc/25/62/93/1132256293.db2.gz KXTVBAWWUSRAFF-UHFFFAOYSA-N 2 1 299.418 3.530 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1coc2ccc(F)cc12 ZINC001141856891 1132258258 /nfs/dbraw/zinc/25/82/58/1132258258.db2.gz WCMJPDMTXMOBAN-UHFFFAOYSA-N 2 1 292.398 3.736 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172546316 1132279506 /nfs/dbraw/zinc/27/95/06/1132279506.db2.gz OFERVVHVKSNXEP-NXWXRZEISA-N 2 1 286.463 3.643 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172546316 1132279511 /nfs/dbraw/zinc/27/95/11/1132279511.db2.gz OFERVVHVKSNXEP-NXWXRZEISA-N 2 1 286.463 3.643 20 0 CHADMP [NH3+]CCCc1[nH+]ccn1[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172547598 1132280363 /nfs/dbraw/zinc/28/03/63/1132280363.db2.gz WGFUJXCDCOQART-IAGOWNOFSA-N 2 1 283.419 3.673 20 0 CHADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCC3(CCCC3)CC2)C1 ZINC001172725124 1132299898 /nfs/dbraw/zinc/29/98/98/1132299898.db2.gz NRNDIXCTHYDHNH-INIZCTEOSA-N 2 1 278.484 3.811 20 0 CHADMP C[NH+]1CCC2(CC[N@H+](C3CCC4(CCCC4)CC3)C2)CC1 ZINC001172729924 1132304303 /nfs/dbraw/zinc/30/43/03/1132304303.db2.gz NWJOOBYYLNQGCU-UHFFFAOYSA-N 2 1 290.495 3.907 20 0 CHADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CCc2ccc(C)cc2C1 ZINC001172825910 1132322288 /nfs/dbraw/zinc/32/22/88/1132322288.db2.gz LMUILGUEGPICRC-LJQANCHMSA-N 2 1 288.479 3.564 20 0 CHADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3c(C)ccc4ccccc43)C[C@@H]2C1 ZINC001142388041 1132381768 /nfs/dbraw/zinc/38/17/68/1132381768.db2.gz MCAZQIWVPRZIOW-HDICACEKSA-N 2 1 294.442 3.532 20 0 CHADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3c(C)ccc4ccccc43)C[C@@H]2C1 ZINC001142388041 1132381773 /nfs/dbraw/zinc/38/17/73/1132381773.db2.gz MCAZQIWVPRZIOW-HDICACEKSA-N 2 1 294.442 3.532 20 0 CHADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3c(C)ccc4ccccc43)C[C@@H]2C1 ZINC001142388041 1132381783 /nfs/dbraw/zinc/38/17/83/1132381783.db2.gz MCAZQIWVPRZIOW-HDICACEKSA-N 2 1 294.442 3.532 20 0 CHADMP CCCOC1CCC([N@@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173093976 1132385355 /nfs/dbraw/zinc/38/53/55/1132385355.db2.gz PRKKAVPSJQNTER-MJYONLJCSA-N 2 1 296.499 3.705 20 0 CHADMP CC[N@H+](C)C1CC[NH+](Cc2ccccc2C(C)C)CC1 ZINC001231878963 1132391283 /nfs/dbraw/zinc/39/12/83/1132391283.db2.gz WQGMOBXXACBTDV-UHFFFAOYSA-N 2 1 274.452 3.726 20 0 CHADMP CC[N@@H+](C)C1CC[NH+](Cc2ccccc2C(C)C)CC1 ZINC001231878963 1132391292 /nfs/dbraw/zinc/39/12/92/1132391292.db2.gz WQGMOBXXACBTDV-UHFFFAOYSA-N 2 1 274.452 3.726 20 0 CHADMP CC[C@@H]1CCCC[N@H+]1C1CCC([NH+](CC)CC)CC1 ZINC001173115188 1132395694 /nfs/dbraw/zinc/39/56/94/1132395694.db2.gz YGROPGSBOKIUDY-KLAILNCOSA-N 2 1 266.473 3.904 20 0 CHADMP [NH3+]CCCc1[nH+]ccn1C1CCC2(CCCCC2)CC1 ZINC001173116795 1132395938 /nfs/dbraw/zinc/39/59/38/1132395938.db2.gz CLIWWIIDMCEIGS-UHFFFAOYSA-N 2 1 275.440 3.840 20 0 CHADMP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)[C@H]1CCc2ccccc21 ZINC001232018918 1132413291 /nfs/dbraw/zinc/41/32/91/1132413291.db2.gz QWTVYTSRYWDUGC-SFHVURJKSA-N 2 1 277.371 3.682 20 0 CHADMP CCCC[C@H](CC(C)C)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173257989 1132426049 /nfs/dbraw/zinc/42/60/49/1132426049.db2.gz YKCWNZJGOZVSJU-BRWVUGGUSA-N 2 1 296.499 3.562 20 0 CHADMP CC[C@H]1CC[C@H]([N@@H+](CCC[NH3+])C2CCCCC2)C1 ZINC001173265668 1132431360 /nfs/dbraw/zinc/43/13/60/1132431360.db2.gz UUMARGQPWSJHOW-HOCLYGCPSA-N 2 1 252.446 3.549 20 0 CHADMP CC1(C)C[N@@H+](CCCCCCC[NH3+])CC[C@H]1C(F)(F)F ZINC000842478892 1132434270 /nfs/dbraw/zinc/43/42/70/1132434270.db2.gz QLDBDMHGBPSTLP-CYBMUJFWSA-N 2 1 294.405 3.806 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000842694865 1132451538 /nfs/dbraw/zinc/45/15/38/1132451538.db2.gz SVCWSODLZNQLLA-AWEZNQCLSA-N 2 1 288.426 3.522 20 0 CHADMP CC[C@@H]1CC[C@@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001173283409 1132455039 /nfs/dbraw/zinc/45/50/39/1132455039.db2.gz VCYZYWBIQYWTDV-SJLPKXTDSA-N 2 1 290.495 3.906 20 0 CHADMP CC[C@H]1CC[C@@H](N(c2cccc(C)[nH+]2)C2CC[NH2+]CC2)C1 ZINC001173284465 1132456126 /nfs/dbraw/zinc/45/61/26/1132456126.db2.gz POTSUCGMWMGXMV-DOTOQJQBSA-N 2 1 287.451 3.527 20 0 CHADMP CC[C@H]1CC[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001173285082 1132456766 /nfs/dbraw/zinc/45/67/66/1132456766.db2.gz UUSHSNHEJZHRJO-IJXRJRJASA-N 2 1 298.474 3.629 20 0 CHADMP CC[C@H]1CC[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001173285082 1132456769 /nfs/dbraw/zinc/45/67/69/1132456769.db2.gz UUSHSNHEJZHRJO-IJXRJRJASA-N 2 1 298.474 3.629 20 0 CHADMP CC[C@H]1CC[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001173285082 1132456773 /nfs/dbraw/zinc/45/67/73/1132456773.db2.gz UUSHSNHEJZHRJO-IJXRJRJASA-N 2 1 298.474 3.629 20 0 CHADMP C[NH+]1CCC([NH2+][C@H]2CCCC3(CCCCC3)C2)CC1 ZINC001173339582 1132466140 /nfs/dbraw/zinc/46/61/40/1132466140.db2.gz PAMIERMEYFGWID-INIZCTEOSA-N 2 1 264.457 3.563 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001173346408 1132471287 /nfs/dbraw/zinc/47/12/87/1132471287.db2.gz LJENFXBEDUXAJN-IXDOHACOSA-N 2 1 278.484 3.809 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001173346408 1132471290 /nfs/dbraw/zinc/47/12/90/1132471290.db2.gz LJENFXBEDUXAJN-IXDOHACOSA-N 2 1 278.484 3.809 20 0 CHADMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCCC4(CCCCC4)C3)C2)C1 ZINC001173350460 1132475726 /nfs/dbraw/zinc/47/57/26/1132475726.db2.gz VZSFDGVRTFCHBO-MJGOQNOKSA-N 2 1 290.495 3.907 20 0 CHADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCCC4(CCCCC4)C3)C2)C1 ZINC001173350460 1132475729 /nfs/dbraw/zinc/47/57/29/1132475729.db2.gz VZSFDGVRTFCHBO-MJGOQNOKSA-N 2 1 290.495 3.907 20 0 CHADMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCCC4(CCCCC4)C3)C2)C1 ZINC001173350460 1132475736 /nfs/dbraw/zinc/47/57/36/1132475736.db2.gz VZSFDGVRTFCHBO-MJGOQNOKSA-N 2 1 290.495 3.907 20 0 CHADMP Cc1cccc(F)c1C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001232484675 1132478311 /nfs/dbraw/zinc/47/83/11/1132478311.db2.gz JUBNCZZYEGCWCI-UHFFFAOYSA-N 2 1 292.442 3.686 20 0 CHADMP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]C(C)(C)C[NH3+] ZINC001173542447 1132491110 /nfs/dbraw/zinc/49/11/10/1132491110.db2.gz HBIKYMZAIWSWPH-JTQLQIEISA-N 2 1 289.250 3.641 20 0 CHADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363735 1132524490 /nfs/dbraw/zinc/52/44/90/1132524490.db2.gz NCKRHKTVCZNCRJ-INIZCTEOSA-N 2 1 294.442 3.976 20 0 CHADMP CSc1ccc(Cl)cc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206647630 1132595350 /nfs/dbraw/zinc/59/53/50/1132595350.db2.gz ITFBIJCYWGLTPV-LBPRGKRZSA-N 2 1 298.883 3.623 20 0 CHADMP CSc1ccc(Cl)cc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206647630 1132595353 /nfs/dbraw/zinc/59/53/53/1132595353.db2.gz ITFBIJCYWGLTPV-LBPRGKRZSA-N 2 1 298.883 3.623 20 0 CHADMP Cc1ccc2cc[nH+]c(NC[C@@H]3CCC[NH2+]C[C@@H]3C)c2c1 ZINC001155022669 1132636991 /nfs/dbraw/zinc/63/69/91/1132636991.db2.gz AMFICHCDLKAUBW-HOCLYGCPSA-N 2 1 283.419 3.591 20 0 CHADMP Cc1ccc(C)c(Nc2ccc(C(C)(C)[NH3+])cc2)[nH+]1 ZINC001159230512 1132817075 /nfs/dbraw/zinc/81/70/75/1132817075.db2.gz SWPRNQFSBXMTDM-UHFFFAOYSA-N 2 1 255.365 3.636 20 0 CHADMP Cc1ccc(C)c(Nc2ccc([C@@H]3CCC[NH2+]3)cc2)[nH+]1 ZINC001159230777 1132818545 /nfs/dbraw/zinc/81/85/45/1132818545.db2.gz WMINVMNQFZZCAV-INIZCTEOSA-N 2 1 267.376 3.867 20 0 CHADMP CC[NH+](CC)c1ccc(Nc2ccc(OCC[NH3+])cc2)cc1 ZINC001159690469 1132893280 /nfs/dbraw/zinc/89/32/80/1132893280.db2.gz POQREPVXKNOTIC-UHFFFAOYSA-N 2 1 299.418 3.614 20 0 CHADMP Cc1cc(Nc2ccc([NH+]3CCCCC3)cc2C)cc[nH+]1 ZINC001174656230 1132952038 /nfs/dbraw/zinc/95/20/38/1132952038.db2.gz HYYVMTAUTANNFV-UHFFFAOYSA-N 2 1 281.403 3.854 20 0 CHADMP Cc1cccc2c1cc[nH+]c2N1CCC2(CCCC[NH2+]2)CC1 ZINC001165246647 1133232247 /nfs/dbraw/zinc/23/22/47/1133232247.db2.gz LJLBAZLQKNDGMF-UHFFFAOYSA-N 2 1 295.430 3.656 20 0 CHADMP Cc1cc[nH+]c2cc(NCC[C@@H]3CCC[N@@H+](C)C3)ccc12 ZINC001165291129 1133237195 /nfs/dbraw/zinc/23/71/95/1133237195.db2.gz YQKUMPKVXZHGSD-HNNXBMFYSA-N 2 1 283.419 3.687 20 0 CHADMP Cc1cc[nH+]c2cc(NCC[C@@H]3CCC[N@H+](C)C3)ccc12 ZINC001165291129 1133237202 /nfs/dbraw/zinc/23/72/02/1133237202.db2.gz YQKUMPKVXZHGSD-HNNXBMFYSA-N 2 1 283.419 3.687 20 0 CHADMP Cc1ccc2cc[nH+]c(N3CCCCC34CC[NH2+]CC4)c2c1 ZINC001165335177 1133239947 /nfs/dbraw/zinc/23/99/47/1133239947.db2.gz QACKSYZXMRNQJU-UHFFFAOYSA-N 2 1 295.430 3.656 20 0 CHADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C ZINC001206715469 1133266133 /nfs/dbraw/zinc/26/61/33/1133266133.db2.gz RPHIWQYKYWPTJG-LSDHHAIUSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)(C)C ZINC001206715469 1133266140 /nfs/dbraw/zinc/26/61/40/1133266140.db2.gz RPHIWQYKYWPTJG-LSDHHAIUSA-N 2 1 266.473 3.665 20 0 CHADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(SC)s1 ZINC001204110867 1133407387 /nfs/dbraw/zinc/40/73/87/1133407387.db2.gz KMGFCDHYACXNBB-GFCCVEGCSA-N 2 1 286.510 3.680 20 0 CHADMP CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC001204155525 1133411591 /nfs/dbraw/zinc/41/15/91/1133411591.db2.gz XOGADJHHANZBSU-CRAIPNDOSA-N 2 1 298.434 3.668 20 0 CHADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC001204155525 1133411594 /nfs/dbraw/zinc/41/15/94/1133411594.db2.gz XOGADJHHANZBSU-CRAIPNDOSA-N 2 1 298.434 3.668 20 0 CHADMP CCC[C@H]1[C@H](C)CCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC001204155527 1133412527 /nfs/dbraw/zinc/41/25/27/1133412527.db2.gz XOGADJHHANZBSU-QAPCUYQASA-N 2 1 298.434 3.668 20 0 CHADMP CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC001204155527 1133412530 /nfs/dbraw/zinc/41/25/30/1133412530.db2.gz XOGADJHHANZBSU-QAPCUYQASA-N 2 1 298.434 3.668 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC001204549961 1133460560 /nfs/dbraw/zinc/46/05/60/1133460560.db2.gz DHVHGCWIWLGDPA-RCCFBDPRSA-N 2 1 280.500 3.867 20 0 CHADMP CC(C)(C)[N@@H+](Cc1ccccc1)Cc1ccc(C[NH3+])cc1 ZINC001204604490 1133466315 /nfs/dbraw/zinc/46/63/15/1133466315.db2.gz RXOJIBBLAYXYAC-UHFFFAOYSA-N 2 1 282.431 3.946 20 0 CHADMP CC(C)(C)[N@@H+](CC[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC001204604464 1133466953 /nfs/dbraw/zinc/46/69/53/1133466953.db2.gz PWJMDQNGOSKLSU-QGZVFWFLSA-N 2 1 274.452 3.819 20 0 CHADMP CC(C)(C)[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC001204604215 1133467111 /nfs/dbraw/zinc/46/71/11/1133467111.db2.gz HECZYHYLTDTHEY-MRXNPFEDSA-N 2 1 274.452 3.677 20 0 CHADMP CC(C)CCCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC001204616507 1133468410 /nfs/dbraw/zinc/46/84/10/1133468410.db2.gz YUFBDCDEXVDPMF-INIZCTEOSA-N 2 1 254.462 3.619 20 0 CHADMP CC(C)CCCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC001204616507 1133468411 /nfs/dbraw/zinc/46/84/11/1133468411.db2.gz YUFBDCDEXVDPMF-INIZCTEOSA-N 2 1 254.462 3.619 20 0 CHADMP CC(C)CCCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC001204616507 1133468416 /nfs/dbraw/zinc/46/84/16/1133468416.db2.gz YUFBDCDEXVDPMF-INIZCTEOSA-N 2 1 254.462 3.619 20 0 CHADMP CCCc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001204735359 1133479204 /nfs/dbraw/zinc/47/92/04/1133479204.db2.gz QPOHSMHHKGEOSD-UHFFFAOYSA-N 2 1 286.463 3.605 20 0 CHADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC001204735162 1133479982 /nfs/dbraw/zinc/47/99/82/1133479982.db2.gz MKPUWRJOCLOCFS-UHFFFAOYSA-N 2 1 292.854 3.614 20 0 CHADMP CC(C)=CCCC1=CC[C@H](C[N@@H+]2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)CC1 ZINC001204919259 1133500124 /nfs/dbraw/zinc/50/01/24/1133500124.db2.gz WUBRIRWUUVWEPO-CADBVGFASA-N 2 1 288.479 3.596 20 0 CHADMP Cc1c(C[N@@H+]2CCCC[C@H]2C[NH3+])cccc1-c1ccccc1 ZINC001204933534 1133502207 /nfs/dbraw/zinc/50/22/07/1133502207.db2.gz VOMNBHPHAFHODO-IBGZPJMESA-N 2 1 294.442 3.975 20 0 CHADMP Cc1c(C[N@H+]2CCCC[C@H]2C[NH3+])cccc1-c1ccccc1 ZINC001204933534 1133502211 /nfs/dbraw/zinc/50/22/11/1133502211.db2.gz VOMNBHPHAFHODO-IBGZPJMESA-N 2 1 294.442 3.975 20 0 CHADMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001204939218 1133504511 /nfs/dbraw/zinc/50/45/11/1133504511.db2.gz PISVEIDXPPYANT-LJQANCHMSA-N 2 1 280.415 3.667 20 0 CHADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001204939218 1133504518 /nfs/dbraw/zinc/50/45/18/1133504518.db2.gz PISVEIDXPPYANT-LJQANCHMSA-N 2 1 280.415 3.667 20 0 CHADMP C[C@@]1([NH3+])CCC[N@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC001204947483 1133506023 /nfs/dbraw/zinc/50/60/23/1133506023.db2.gz ZAUMYCMMDQZGCE-LJQANCHMSA-N 2 1 280.415 3.667 20 0 CHADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC001204947483 1133506026 /nfs/dbraw/zinc/50/60/26/1133506026.db2.gz ZAUMYCMMDQZGCE-LJQANCHMSA-N 2 1 280.415 3.667 20 0 CHADMP Cc1cccc(-c2ccc(C[N@@H+]3CCC[C@](C)([NH3+])C3)cc2)c1 ZINC001204945585 1133506257 /nfs/dbraw/zinc/50/62/57/1133506257.db2.gz HKVLIJNQQHRSIX-FQEVSTJZSA-N 2 1 294.442 3.975 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3CCC[C@](C)([NH3+])C3)cc2)c1 ZINC001204945585 1133506262 /nfs/dbraw/zinc/50/62/62/1133506262.db2.gz HKVLIJNQQHRSIX-FQEVSTJZSA-N 2 1 294.442 3.975 20 0 CHADMP Cc1c(C)c(C)c(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c(C)c1C ZINC001205074860 1133524110 /nfs/dbraw/zinc/52/41/10/1133524110.db2.gz BILNXQZWWYTKOM-GTNSWQLSSA-N 2 1 274.452 3.540 20 0 CHADMP Cc1c(C)c(C)c(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c(C)c1C ZINC001205074860 1133524114 /nfs/dbraw/zinc/52/41/14/1133524114.db2.gz BILNXQZWWYTKOM-GTNSWQLSSA-N 2 1 274.452 3.540 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CCC[C@@H]([NH3+])CC3)cc2)cc1 ZINC001205109135 1133531313 /nfs/dbraw/zinc/53/13/13/1133531313.db2.gz BIDVTCPKUSYAIA-HXUWFJFHSA-N 2 1 294.442 3.975 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205146173 1133536074 /nfs/dbraw/zinc/53/60/74/1133536074.db2.gz RNBVUMIVTMXAEQ-FUHWJXTLSA-N 2 1 294.442 3.689 20 0 CHADMP Cc1c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cccc1-c1ccccc1 ZINC001205150519 1133537012 /nfs/dbraw/zinc/53/70/12/1133537012.db2.gz DRRAEEZFVZTLID-HNAYVOBHSA-N 2 1 294.442 3.689 20 0 CHADMP C[C@H]1C[N@@H+](Cc2cc(-c3ccsc3)cs2)C[C@H]1C[NH3+] ZINC001205151646 1133537523 /nfs/dbraw/zinc/53/75/23/1133537523.db2.gz XUBDAXSDNJKQCW-SMDDNHRTSA-N 2 1 292.473 3.503 20 0 CHADMP CC[NH+]1CCC([N@H+](C)CC2CCC(C(C)C)CC2)CC1 ZINC001205184877 1133543547 /nfs/dbraw/zinc/54/35/47/1133543547.db2.gz ISEWGOHPFJZADJ-UHFFFAOYSA-N 2 1 280.500 3.865 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)CC2CCC(C(C)C)CC2)CC1 ZINC001205184877 1133543551 /nfs/dbraw/zinc/54/35/51/1133543551.db2.gz ISEWGOHPFJZADJ-UHFFFAOYSA-N 2 1 280.500 3.865 20 0 CHADMP C[C@H](C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1)c1cccc2ccccc21 ZINC001205296076 1133556045 /nfs/dbraw/zinc/55/60/45/1133556045.db2.gz GEVJZTLDRKQFBH-JFIYKMOQSA-N 2 1 296.458 3.860 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2)C[C@@H]1C[NH3+] ZINC001205305037 1133558141 /nfs/dbraw/zinc/55/81/41/1133558141.db2.gz QOTXRWUJYAUALK-UZLBHIALSA-N 2 1 294.442 3.770 20 0 CHADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001205332849 1133563992 /nfs/dbraw/zinc/56/39/92/1133563992.db2.gz UUAUKJVIRRTLBD-OAHLLOKOSA-N 2 1 298.405 3.677 20 0 CHADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001205332849 1133563993 /nfs/dbraw/zinc/56/39/93/1133563993.db2.gz UUAUKJVIRRTLBD-OAHLLOKOSA-N 2 1 298.405 3.677 20 0 CHADMP CCCc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)s1 ZINC001205617574 1133596669 /nfs/dbraw/zinc/59/66/69/1133596669.db2.gz LBRNDMCURAVPIH-KBPBESRZSA-N 2 1 280.481 3.507 20 0 CHADMP CCCCc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001205639194 1133597775 /nfs/dbraw/zinc/59/77/75/1133597775.db2.gz XIDWPNSMFXOZDZ-QFBILLFUSA-N 2 1 288.479 3.836 20 0 CHADMP CC[C@H](C[N@@H+](CC)CCC[NH+]1CCCC1)c1ccccc1 ZINC001205692100 1133603852 /nfs/dbraw/zinc/60/38/52/1133603852.db2.gz CQAJOQLUPNCKSS-GOSISDBHSA-N 2 1 288.479 3.988 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@@H](C)CC[C@H]3CN)cc2)o1 ZINC001205830490 1133620215 /nfs/dbraw/zinc/62/02/15/1133620215.db2.gz STSKLRABHYASGL-KSSFIOAISA-N 2 1 298.430 3.814 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@@H](C)CC[C@H]3CN)cc2)o1 ZINC001205830490 1133620219 /nfs/dbraw/zinc/62/02/19/1133620219.db2.gz STSKLRABHYASGL-KSSFIOAISA-N 2 1 298.430 3.814 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@@H](C)CC[C@H]3C[NH3+])cc2)o1 ZINC001205830490 1133620221 /nfs/dbraw/zinc/62/02/21/1133620221.db2.gz STSKLRABHYASGL-KSSFIOAISA-N 2 1 298.430 3.814 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@@H](C)CC[C@H]3C[NH3+])cc2)o1 ZINC001205830490 1133620225 /nfs/dbraw/zinc/62/02/25/1133620225.db2.gz STSKLRABHYASGL-KSSFIOAISA-N 2 1 298.430 3.814 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1 ZINC001205917193 1133630512 /nfs/dbraw/zinc/63/05/12/1133630512.db2.gz XHWXMPVBHHCSIY-CRAIPNDOSA-N 2 1 274.452 3.588 20 0 CHADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCC2(CC2)CC1 ZINC001205923794 1133631784 /nfs/dbraw/zinc/63/17/84/1133631784.db2.gz FWFULKNCEQEPAW-KRWDZBQOSA-N 2 1 278.484 3.809 20 0 CHADMP C[C@H]1C[N@@H+](Cc2cc3ccccc3s2)CCC[C@@H]1C[NH3+] ZINC001205996575 1133638814 /nfs/dbraw/zinc/63/88/14/1133638814.db2.gz XKLSPRRXHHQSIG-DZGCQCFKSA-N 2 1 288.460 3.708 20 0 CHADMP Cc1c(F)ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1Cl ZINC001206023237 1133643552 /nfs/dbraw/zinc/64/35/52/1133643552.db2.gz DTZGUKADROICDU-DGCLKSJQSA-N 2 1 298.833 3.594 20 0 CHADMP C[C@H]1C[N@H+](CCC[NH2+]C2CCCCC2)CCC[C@@H]1C ZINC001206109598 1133658757 /nfs/dbraw/zinc/65/87/57/1133658757.db2.gz DDZNYUJCFAMLFY-HOTGVXAUSA-N 2 1 266.473 3.667 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1CCC[NH2+]C[C@@H]1C ZINC001206263283 1133678752 /nfs/dbraw/zinc/67/87/52/1133678752.db2.gz UCQPQWGOWGBBBD-KRWDZBQOSA-N 2 1 294.442 3.846 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(C)c1 ZINC001206295635 1133684953 /nfs/dbraw/zinc/68/49/53/1133684953.db2.gz MOUGSTWCIHEJKB-GOSISDBHSA-N 2 1 274.452 3.563 20 0 CHADMP CC1=CC[C@@H](CC[N@H+]2CCC[C@](C)(C[NH3+])CC2)C1(C)C ZINC001206297269 1133685346 /nfs/dbraw/zinc/68/53/46/1133685346.db2.gz XAKGJRWYMWWIJZ-WMZOPIPTSA-N 2 1 278.484 3.820 20 0 CHADMP Cc1cc(F)cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1Cl ZINC001206326848 1133689863 /nfs/dbraw/zinc/68/98/63/1133689863.db2.gz PSVYWUNHWUKXMX-MRXNPFEDSA-N 2 1 298.833 3.738 20 0 CHADMP Cc1cccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1Cl ZINC001206327774 1133689904 /nfs/dbraw/zinc/68/99/04/1133689904.db2.gz XPEJEQDDDYCUKV-INIZCTEOSA-N 2 1 280.843 3.599 20 0 CHADMP CCCC[C@@H](CC)C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206541913 1133715520 /nfs/dbraw/zinc/71/55/20/1133715520.db2.gz NJFMKVKNCRPADC-CVEARBPZSA-N 2 1 254.462 3.654 20 0 CHADMP C[C@]1(C[NH3+])CCCC[N@@H+](CCCc2ccccc2Cl)C1 ZINC001206542311 1133715956 /nfs/dbraw/zinc/71/59/56/1133715956.db2.gz XWSWIINMEJIRRH-QGZVFWFLSA-N 2 1 294.870 3.724 20 0 CHADMP Cc1ccc([C@@H](C)CC[N@H+]2CCCC[C@@](C)(C[NH3+])C2)o1 ZINC001206542251 1133716226 /nfs/dbraw/zinc/71/62/26/1133716226.db2.gz WFGZNSQTOOMFRA-YOEHRIQHSA-N 2 1 278.440 3.533 20 0 CHADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccccc2C(F)F)C1 ZINC001206556649 1133717410 /nfs/dbraw/zinc/71/74/10/1133717410.db2.gz USUHZICLKMGWJI-INIZCTEOSA-N 2 1 282.378 3.575 20 0 CHADMP CC(C)[N@@H+](Cc1ccc(F)c(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206582761 1133722032 /nfs/dbraw/zinc/72/20/32/1133722032.db2.gz PLZFHHHTBMOZPC-CQSZACIVSA-N 2 1 298.833 3.832 20 0 CHADMP Cc1ccc2[nH]cc(C[N@H+](C(C)C)[C@@H]3CCC[NH2+]CC3)c2c1 ZINC001206583846 1133722145 /nfs/dbraw/zinc/72/21/45/1133722145.db2.gz XGKCGWWJCUPQTJ-QGZVFWFLSA-N 2 1 299.462 3.829 20 0 CHADMP CC(C)[N@@H+](Cc1ccc2c(c1)CCC2)[C@H]1CCC[NH2+]CC1 ZINC001206584207 1133722164 /nfs/dbraw/zinc/72/21/64/1133722164.db2.gz XPIBOGGPQZPKNA-IBGZPJMESA-N 2 1 286.463 3.528 20 0 CHADMP CC(C)[N@@H+](CCc1ccc(Cl)cc1)[C@H]1CCC[NH2+]CC1 ZINC001206583448 1133722580 /nfs/dbraw/zinc/72/25/80/1133722580.db2.gz UWDFWOZZDGAKJO-KRWDZBQOSA-N 2 1 294.870 3.735 20 0 CHADMP [NH3+]C[C@@H]1CCCC[N@@H+](C[C@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001206606560 1133727326 /nfs/dbraw/zinc/72/73/26/1133727326.db2.gz PHFGOPMOCPKKKX-LXZKKBNFSA-N 2 1 292.854 3.504 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1CC1(c2ccccc2)CCCC1 ZINC001206760535 1133744003 /nfs/dbraw/zinc/74/40/03/1133744003.db2.gz JCRAOKMRKWHCLY-IRXDYDNUSA-N 2 1 286.463 3.558 20 0 CHADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cccc(-c2ccccc2)c1 ZINC001206770454 1133745226 /nfs/dbraw/zinc/74/52/26/1133745226.db2.gz SDIXTFVPNXDAFS-SJLPKXTDSA-N 2 1 294.442 3.913 20 0 CHADMP Cc1c(C)c(C)c(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(C)c1C ZINC001206767948 1133745285 /nfs/dbraw/zinc/74/52/85/1133745285.db2.gz GJJPXAZWUSCUIP-SGTLLEGYSA-N 2 1 288.479 3.788 20 0 CHADMP Cc1c(C)c(C)c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(C)c1C ZINC001206767946 1133746118 /nfs/dbraw/zinc/74/61/18/1133746118.db2.gz GJJPXAZWUSCUIP-KZULUSFZSA-N 2 1 288.479 3.788 20 0 CHADMP C[C@@H]1CCC(C)(C)C[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001206827456 1133752044 /nfs/dbraw/zinc/75/20/44/1133752044.db2.gz NVHJANHNKPNGDX-BPQIPLTHSA-N 2 1 292.511 3.913 20 0 CHADMP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001206827458 1133752083 /nfs/dbraw/zinc/75/20/83/1133752083.db2.gz NVHJANHNKPNGDX-NJAFHUGGSA-N 2 1 292.511 3.913 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc(C(F)F)c1 ZINC001207132172 1133770137 /nfs/dbraw/zinc/77/01/37/1133770137.db2.gz RBYAZVIAXXRLAY-UHFFFAOYSA-N 2 1 284.394 3.788 20 0 CHADMP c1ccc(C[NH+]2CCC(C[N@H+](CC3CC3)C3CC3)CC2)cc1 ZINC001207294404 1133788285 /nfs/dbraw/zinc/78/82/85/1133788285.db2.gz QEANPILAGKRYOP-UHFFFAOYSA-N 2 1 298.474 3.773 20 0 CHADMP Cc1ccc([C@H]2CCC[N@@H+]2CC(C)(C)C[NH+](C)C)cc1 ZINC001207287193 1133788589 /nfs/dbraw/zinc/78/85/89/1133788589.db2.gz ZCTFBHXGQCUQPE-QGZVFWFLSA-N 2 1 274.452 3.720 20 0 CHADMP CC[NH+](CC)C1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC001207347611 1133793700 /nfs/dbraw/zinc/79/37/00/1133793700.db2.gz YYERTHGUOQYRIE-UHFFFAOYSA-N 2 1 288.426 3.618 20 0 CHADMP CC[N@@H+](C)C1CCN(CCCc2ccc(Cl)cc2)CC1 ZINC001207597613 1133826290 /nfs/dbraw/zinc/82/62/90/1133826290.db2.gz MNXOYIJNBAPZQZ-UHFFFAOYSA-N 2 1 294.870 3.689 20 0 CHADMP CC[N@H+](C)C1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC001207597613 1133826293 /nfs/dbraw/zinc/82/62/93/1133826293.db2.gz MNXOYIJNBAPZQZ-UHFFFAOYSA-N 2 1 294.870 3.689 20 0 CHADMP CC[N@@H+](C)C1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC001207597613 1133826295 /nfs/dbraw/zinc/82/62/95/1133826295.db2.gz MNXOYIJNBAPZQZ-UHFFFAOYSA-N 2 1 294.870 3.689 20 0 CHADMP C[N@H+](CCCc1ccc(Cl)cc1)CCC[NH+]1CCCC1 ZINC001207595754 1133826560 /nfs/dbraw/zinc/82/65/60/1133826560.db2.gz GJABTYRQAHRCON-UHFFFAOYSA-N 2 1 294.870 3.690 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207631416 1133834576 /nfs/dbraw/zinc/83/45/76/1133834576.db2.gz HBEZMLVGCJQOTL-JKEDJMADSA-N 2 1 288.479 3.537 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207631416 1133834579 /nfs/dbraw/zinc/83/45/79/1133834579.db2.gz HBEZMLVGCJQOTL-JKEDJMADSA-N 2 1 288.479 3.537 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207631416 1133834581 /nfs/dbraw/zinc/83/45/81/1133834581.db2.gz HBEZMLVGCJQOTL-JKEDJMADSA-N 2 1 288.479 3.537 20 0 CHADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC001208107761 1133877551 /nfs/dbraw/zinc/87/75/51/1133877551.db2.gz KDDHOKKELLSBJL-QGZVFWFLSA-N 2 1 290.426 3.695 20 0 CHADMP CC/C=C\CCC[N@H+](C)C1CC[NH+](CCCC)CC1 ZINC001208140411 1133884606 /nfs/dbraw/zinc/88/46/06/1133884606.db2.gz RCSIHYMOAHQIEK-VURMDHGXSA-N 2 1 266.473 3.929 20 0 CHADMP CCC(CC)[N@@H+](CC)CC1(C[NH+](C)C)CCCC1 ZINC001208186209 1133901925 /nfs/dbraw/zinc/90/19/25/1133901925.db2.gz OTWNROCEIKQTDV-UHFFFAOYSA-N 2 1 254.462 3.619 20 0 CHADMP C[C@H]1C[N@@H+](CC2(C[NH+](C)C)CCCC2)Cc2ccccc21 ZINC001208184146 1133902318 /nfs/dbraw/zinc/90/23/18/1133902318.db2.gz KLCVKXXISXTNIQ-INIZCTEOSA-N 2 1 286.463 3.728 20 0 CHADMP C[NH+](C)CC1(C[N@H+](C)Cc2ccc(Cl)cc2)CCCC1 ZINC001208191015 1133902610 /nfs/dbraw/zinc/90/26/10/1133902610.db2.gz JTSKVOBZSODMJT-UHFFFAOYSA-N 2 1 294.870 3.894 20 0 CHADMP C[NH+](C)CC1(C[N@@H+](C)Cc2ccc(Cl)cc2)CCCC1 ZINC001208191015 1133902612 /nfs/dbraw/zinc/90/26/12/1133902612.db2.gz JTSKVOBZSODMJT-UHFFFAOYSA-N 2 1 294.870 3.894 20 0 CHADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@H]2c2cccc(Cl)c2)C1 ZINC001208618523 1133918496 /nfs/dbraw/zinc/91/84/96/1133918496.db2.gz XUQWISYWTLKKQC-YOEHRIQHSA-N 2 1 292.854 3.819 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@H]2c2cccc(Cl)c2)C1 ZINC001208618523 1133918501 /nfs/dbraw/zinc/91/85/01/1133918501.db2.gz XUQWISYWTLKKQC-YOEHRIQHSA-N 2 1 292.854 3.819 20 0 CHADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)C1 ZINC001208618523 1133918505 /nfs/dbraw/zinc/91/85/05/1133918505.db2.gz XUQWISYWTLKKQC-YOEHRIQHSA-N 2 1 292.854 3.819 20 0 CHADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)C1 ZINC001208618523 1133918508 /nfs/dbraw/zinc/91/85/08/1133918508.db2.gz XUQWISYWTLKKQC-YOEHRIQHSA-N 2 1 292.854 3.819 20 0 CHADMP CC[NH+]1CCC(C[N@@H+](C)CCc2ccccc2Cl)CC1 ZINC001208597217 1133919178 /nfs/dbraw/zinc/91/91/78/1133919178.db2.gz DSKNFECFMXCHPO-UHFFFAOYSA-N 2 1 294.870 3.546 20 0 CHADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC001208610016 1133920014 /nfs/dbraw/zinc/92/00/14/1133920014.db2.gz YALSCEFQJQIWKO-PBHICJAKSA-N 2 1 292.854 3.819 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC001208610016 1133920017 /nfs/dbraw/zinc/92/00/17/1133920017.db2.gz YALSCEFQJQIWKO-PBHICJAKSA-N 2 1 292.854 3.819 20 0 CHADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC001208610016 1133920021 /nfs/dbraw/zinc/92/00/21/1133920021.db2.gz YALSCEFQJQIWKO-PBHICJAKSA-N 2 1 292.854 3.819 20 0 CHADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC001208610016 1133920025 /nfs/dbraw/zinc/92/00/25/1133920025.db2.gz YALSCEFQJQIWKO-PBHICJAKSA-N 2 1 292.854 3.819 20 0 CHADMP CC[NH+]1CCC([N@H+](C)CC[C@@H](C)CC(C)(C)C)CC1 ZINC001208666641 1133925891 /nfs/dbraw/zinc/92/58/91/1133925891.db2.gz VQXNTZREFSILIG-OAHLLOKOSA-N 2 1 268.489 3.865 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)CC[C@@H](C)CC(C)(C)C)CC1 ZINC001208666641 1133925892 /nfs/dbraw/zinc/92/58/92/1133925892.db2.gz VQXNTZREFSILIG-OAHLLOKOSA-N 2 1 268.489 3.865 20 0 CHADMP C[N@H+](CC1(c2ccccc2)CCCC1)C1CC[NH+](C)CC1 ZINC001208770493 1133941469 /nfs/dbraw/zinc/94/14/69/1133941469.db2.gz BFGBCTLILCNYGC-UHFFFAOYSA-N 2 1 286.463 3.524 20 0 CHADMP C[N@@H+](CC1(c2ccccc2)CCCC1)C1CC[NH+](C)CC1 ZINC001208770493 1133941472 /nfs/dbraw/zinc/94/14/72/1133941472.db2.gz BFGBCTLILCNYGC-UHFFFAOYSA-N 2 1 286.463 3.524 20 0 CHADMP CC[C@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208954552 1133965183 /nfs/dbraw/zinc/96/51/83/1133965183.db2.gz WJFJQENMVXGQHL-HKUYNNGSSA-N 2 1 286.463 3.631 20 0 CHADMP CC[C@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208954552 1133965187 /nfs/dbraw/zinc/96/51/87/1133965187.db2.gz WJFJQENMVXGQHL-HKUYNNGSSA-N 2 1 286.463 3.631 20 0 CHADMP CC[C@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208954552 1133965193 /nfs/dbraw/zinc/96/51/93/1133965193.db2.gz WJFJQENMVXGQHL-HKUYNNGSSA-N 2 1 286.463 3.631 20 0 CHADMP CCC1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208942026 1133965733 /nfs/dbraw/zinc/96/57/33/1133965733.db2.gz OHWSKFSTBREUCA-IBGZPJMESA-N 2 1 286.463 3.631 20 0 CHADMP C[C@@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001208943273 1133967410 /nfs/dbraw/zinc/96/74/10/1133967410.db2.gz UBUHSGIVBMAJMG-IEBWSBKVSA-N 2 1 286.463 3.631 20 0 CHADMP C[C@@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208943273 1133967413 /nfs/dbraw/zinc/96/74/13/1133967413.db2.gz UBUHSGIVBMAJMG-IEBWSBKVSA-N 2 1 286.463 3.631 20 0 CHADMP C[C@@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208943273 1133967416 /nfs/dbraw/zinc/96/74/16/1133967416.db2.gz UBUHSGIVBMAJMG-IEBWSBKVSA-N 2 1 286.463 3.631 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1CC[NH2+][C@H](C)CC1 ZINC001210500034 1134230668 /nfs/dbraw/zinc/23/06/68/1134230668.db2.gz ZFVJVBZFZWPCOP-QGZVFWFLSA-N 2 1 294.442 3.846 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1CC[NH2+][C@H](C)CC1 ZINC001210500034 1134230675 /nfs/dbraw/zinc/23/06/75/1134230675.db2.gz ZFVJVBZFZWPCOP-QGZVFWFLSA-N 2 1 294.442 3.846 20 0 CHADMP [NH3+]C12CC(C[N@@H+](Cc3ccccc3)C3CCCCC3)(C1)C2 ZINC001210581644 1134255940 /nfs/dbraw/zinc/25/59/40/1134255940.db2.gz UCUTUDPWZUICKZ-UHFFFAOYSA-N 2 1 284.447 3.703 20 0 CHADMP C[NH2+]Cc1cccc(Nc2ccc3c[nH+]ccc3c2)c1 ZINC001211139033 1134378849 /nfs/dbraw/zinc/37/88/49/1134378849.db2.gz YZAADERUHOMJIN-UHFFFAOYSA-N 2 1 263.344 3.698 20 0 CHADMP COc1cc(Nc2cc[nH+]c(C(C)(C)C)c2)[nH+]cc1C ZINC001213164494 1134433511 /nfs/dbraw/zinc/43/35/11/1134433511.db2.gz RHNWLVXDXAYADV-UHFFFAOYSA-N 2 1 271.364 3.835 20 0 CHADMP Cc1cn2cc(Nc3cccc(C[NH+](C)C)c3F)ccc2[nH+]1 ZINC001216228277 1134813913 /nfs/dbraw/zinc/81/39/13/1134813913.db2.gz ZATNKECBPQHXMF-UHFFFAOYSA-N 2 1 298.365 3.587 20 0 CHADMP c1cc(C2CCC2)ccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222154982 1135200694 /nfs/dbraw/zinc/20/06/94/1135200694.db2.gz VBWOMLINVJGQGZ-IBGZPJMESA-N 2 1 284.447 3.530 20 0 CHADMP Cc1ccsc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222161862 1135203476 /nfs/dbraw/zinc/20/34/76/1135203476.db2.gz RTYDLRUXYQYOLL-KRWDZBQOSA-N 2 1 292.492 3.802 20 0 CHADMP Cc1ccc([C@H](C)CC[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)o1 ZINC001222259051 1135215993 /nfs/dbraw/zinc/21/59/93/1135215993.db2.gz JIFPFNJSCFKBML-CRAIPNDOSA-N 2 1 290.451 3.547 20 0 CHADMP CC(C)=CCC[C@H](C)C[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001222287135 1135218667 /nfs/dbraw/zinc/21/86/67/1135218667.db2.gz ANICXDOHGNXSBT-KRWDZBQOSA-N 2 1 278.484 3.977 20 0 CHADMP CCCC[C@H](CC)C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222310444 1135222724 /nfs/dbraw/zinc/22/27/24/1135222724.db2.gz VQHLDGSDJNCHFE-DLBZAZTESA-N 2 1 266.473 3.811 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222346713 1135229593 /nfs/dbraw/zinc/22/95/93/1135229593.db2.gz RRNCLJMYUQXOMK-IRXDYDNUSA-N 2 1 264.457 3.587 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3sccc32)[C@H]2CCC[C@H]21 ZINC000353668103 529807172 /nfs/dbraw/zinc/80/71/72/529807172.db2.gz FTDGOSHKNZVOQN-DMRZNYOFSA-N 2 1 290.476 3.588 20 0 CHADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(SC(F)F)cc1 ZINC000151957747 261057057 /nfs/dbraw/zinc/05/70/57/261057057.db2.gz GKWXOMLFPVQJAS-NSHDSACASA-N 2 1 288.407 3.604 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCc2ccc(C(C)C)cc21 ZINC000341794522 130033052 /nfs/dbraw/zinc/03/30/52/130033052.db2.gz ZVCLZOFVKLEDIQ-IBGZPJMESA-N 2 1 297.446 3.982 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000020189650 171055291 /nfs/dbraw/zinc/05/52/91/171055291.db2.gz JEISBAXNYZVQTP-ZDUSSCGKSA-N 2 1 280.843 3.865 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c(C)s1 ZINC000020189485 171055888 /nfs/dbraw/zinc/05/58/88/171055888.db2.gz QDFJNZZUEPIAKW-ZDUSSCGKSA-N 2 1 280.481 3.888 20 0 CHADMP C[NH+](C)CC(C)(C)C[NH2+]C1c2ccccc2-c2ccccc21 ZINC000020826542 171273764 /nfs/dbraw/zinc/27/37/64/171273764.db2.gz ZKIJKVGUYNXMRL-UHFFFAOYSA-N 2 1 294.442 3.934 20 0 CHADMP Cc1ccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)cc1 ZINC000037318602 260086517 /nfs/dbraw/zinc/08/65/17/260086517.db2.gz HJURPHUAIVLHQA-LJQANCHMSA-N 2 1 284.447 3.663 20 0 CHADMP C[C@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2)CC[C@H]1[NH3+] ZINC000347058566 226008260 /nfs/dbraw/zinc/00/82/60/226008260.db2.gz WRDJPWPKNGNSAB-HNAYVOBHSA-N 2 1 280.415 3.523 20 0 CHADMP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352757024 227207884 /nfs/dbraw/zinc/20/78/84/227207884.db2.gz CYZXIJHIUYVSAZ-JSGCOSHPSA-N 2 1 295.496 3.509 20 0 CHADMP CCCC1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000035054420 260006864 /nfs/dbraw/zinc/00/68/64/260006864.db2.gz FIXQPALVHPJQNC-UHFFFAOYSA-N 2 1 264.457 3.562 20 0 CHADMP Cc1ccc([C@@H](C)NCCC[N@H+]2CCCC[C@@H]2C)o1 ZINC000036122753 260035544 /nfs/dbraw/zinc/03/55/44/260035544.db2.gz HTDZAGOFBWFIEJ-DZGCQCFKSA-N 2 1 264.413 3.503 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)c2c1cccc2C ZINC000179419430 260047595 /nfs/dbraw/zinc/04/75/95/260047595.db2.gz NBTSRKQPMIVBFS-DDUZABMNSA-N 2 1 297.446 3.974 20 0 CHADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1Cl ZINC000180437701 260101890 /nfs/dbraw/zinc/10/18/90/260101890.db2.gz JAAPXWULQYUZIK-UKRRQHHQSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1Cl ZINC000180437701 260101893 /nfs/dbraw/zinc/10/18/93/260101893.db2.gz JAAPXWULQYUZIK-UKRRQHHQSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1Cl ZINC000180437701 260101894 /nfs/dbraw/zinc/10/18/94/260101894.db2.gz JAAPXWULQYUZIK-UKRRQHHQSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1Cl ZINC000180437701 260101896 /nfs/dbraw/zinc/10/18/96/260101896.db2.gz JAAPXWULQYUZIK-UKRRQHHQSA-N 2 1 280.843 3.563 20 0 CHADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169678 260152367 /nfs/dbraw/zinc/15/23/67/260152367.db2.gz NJVFXRNNBKQSQW-JKSUJKDBSA-N 2 1 282.431 3.962 20 0 CHADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000071146413 260159644 /nfs/dbraw/zinc/15/96/44/260159644.db2.gz WKWJYJPLMXKEMI-NSHDSACASA-N 2 1 294.851 3.596 20 0 CHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000071146413 260159645 /nfs/dbraw/zinc/15/96/45/260159645.db2.gz WKWJYJPLMXKEMI-NSHDSACASA-N 2 1 294.851 3.596 20 0 CHADMP C[C@H](Cc1ccoc1)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000449083786 260207586 /nfs/dbraw/zinc/20/75/86/260207586.db2.gz VIHSJIQBIBOBKJ-IXDOHACOSA-N 2 1 292.467 3.558 20 0 CHADMP C1C[C@@H]2C[C@@H]([NH2+][C@H]3CCCC34CCCCC4)CC[N@H+]2C1 ZINC000313037044 260240390 /nfs/dbraw/zinc/24/03/90/260240390.db2.gz NEKVRRIQQNLPFY-BBWFWOEESA-N 2 1 276.468 3.706 20 0 CHADMP C([NH2+][C@@H]1CCCC12CCCCC2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000313046640 260240934 /nfs/dbraw/zinc/24/09/34/260240934.db2.gz VAAHGDFEDLDYRA-DOTOQJQBSA-N 2 1 276.468 3.563 20 0 CHADMP CSc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000091957347 260267261 /nfs/dbraw/zinc/26/72/61/260267261.db2.gz LTIWQEPGMDIPMM-VNQPRFMTSA-N 2 1 290.476 3.686 20 0 CHADMP Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C ZINC000130246064 260394172 /nfs/dbraw/zinc/39/41/72/260394172.db2.gz YPHOIXGKOZGCRR-RCCFBDPRSA-N 2 1 286.463 3.889 20 0 CHADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(SC(F)F)cc1 ZINC000151957834 261057077 /nfs/dbraw/zinc/05/70/77/261057077.db2.gz GKWXOMLFPVQJAS-LLVKDONJSA-N 2 1 288.407 3.604 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)c(C)s1 ZINC000052206018 261074710 /nfs/dbraw/zinc/07/47/10/261074710.db2.gz NCPJBZDHRZAGTO-UKRRQHHQSA-N 2 1 280.481 3.890 20 0 CHADMP CC(C)CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000449068574 261146712 /nfs/dbraw/zinc/14/67/12/261146712.db2.gz BWDTZVJYUOBSQO-RDJZCZTQSA-N 2 1 278.484 3.808 20 0 CHADMP C[NH+](Cc1ccc(C[N@H+](C)C2CCC2)cc1)C1CCC1 ZINC000173619268 261166292 /nfs/dbraw/zinc/16/62/92/261166292.db2.gz ADRDODRGLLFHRV-UHFFFAOYSA-N 2 1 272.436 3.655 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccc(Cl)s1 ZINC000163301461 261311653 /nfs/dbraw/zinc/31/16/53/261311653.db2.gz VRKCLSUAUYOPFT-VXGBXAGGSA-N 2 1 286.872 3.784 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1ccccc1)C(C)C ZINC000163591919 261322845 /nfs/dbraw/zinc/32/28/45/261322845.db2.gz DTVAHVLBDGLXIK-SFHVURJKSA-N 2 1 285.435 3.959 20 0 CHADMP Cc1cc[nH+]c(NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000301634209 261339396 /nfs/dbraw/zinc/33/93/96/261339396.db2.gz KDBZRXVCBJBCLY-MRXNPFEDSA-N 2 1 283.419 3.713 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCc2ccccc21 ZINC000164686273 261357730 /nfs/dbraw/zinc/35/77/30/261357730.db2.gz LIYHVPDLMIJNPJ-SFHVURJKSA-N 2 1 283.419 3.639 20 0 CHADMP Clc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000106868732 261373746 /nfs/dbraw/zinc/37/37/46/261373746.db2.gz IMTSXFWRHDCSIA-CHWSQXEVSA-N 2 1 299.245 3.710 20 0 CHADMP Clc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000106868732 261373747 /nfs/dbraw/zinc/37/37/47/261373747.db2.gz IMTSXFWRHDCSIA-CHWSQXEVSA-N 2 1 299.245 3.710 20 0 CHADMP Clc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000106868734 261373894 /nfs/dbraw/zinc/37/38/94/261373894.db2.gz IMTSXFWRHDCSIA-QWHCGFSZSA-N 2 1 299.245 3.710 20 0 CHADMP Clc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000106868734 261373896 /nfs/dbraw/zinc/37/38/96/261373896.db2.gz IMTSXFWRHDCSIA-QWHCGFSZSA-N 2 1 299.245 3.710 20 0 CHADMP Cc1nc(C(C)C)sc1[C@H](C)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000361764552 261389664 /nfs/dbraw/zinc/38/96/64/261389664.db2.gz MPQBWULHDDUHFN-MBNYWOFBSA-N 2 1 295.496 3.708 20 0 CHADMP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccc(Cl)nc1 ZINC000184498173 262021335 /nfs/dbraw/zinc/02/13/35/262021335.db2.gz ADQBNAUROYVQEC-UONOGXRCSA-N 2 1 295.858 3.650 20 0 CHADMP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(F)c(Cl)c1 ZINC000020078416 262227450 /nfs/dbraw/zinc/22/74/50/262227450.db2.gz VCRJGXBISLDSKF-NSHDSACASA-N 2 1 286.822 3.718 20 0 CHADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000221836560 262304328 /nfs/dbraw/zinc/30/43/28/262304328.db2.gz GFLGAJHXMDNPEN-JQFCIGGWSA-N 2 1 278.415 3.595 20 0 CHADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000221836560 262304330 /nfs/dbraw/zinc/30/43/30/262304330.db2.gz GFLGAJHXMDNPEN-JQFCIGGWSA-N 2 1 278.415 3.595 20 0 CHADMP CC1(C)CC[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000390775376 262345369 /nfs/dbraw/zinc/34/53/69/262345369.db2.gz MMDKODVUKMIKQI-MSOLQXFVSA-N 2 1 286.463 3.677 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000187160572 262387257 /nfs/dbraw/zinc/38/72/57/262387257.db2.gz XMMHFTTXPPFURK-LPHOPBHVSA-N 2 1 299.462 3.685 20 0 CHADMP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccccc1F ZINC000021510523 262389815 /nfs/dbraw/zinc/38/98/15/262389815.db2.gz CTKWCDSJZKHFTJ-OAHLLOKOSA-N 2 1 278.415 3.598 20 0 CHADMP CCC[N@@H+](Cc1ccc(-c2ccccc2)o1)C1CC[NH2+]CC1 ZINC000414657644 263022535 /nfs/dbraw/zinc/02/25/35/263022535.db2.gz OSOKUUMDNAKXCF-UHFFFAOYSA-N 2 1 298.430 3.911 20 0 CHADMP C[C@H](c1cc2ccccc2o1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414676920 263030467 /nfs/dbraw/zinc/03/04/67/263030467.db2.gz IEXJITHTQGPWHK-KFWWJZLASA-N 2 1 286.419 3.814 20 0 CHADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414700941 263032914 /nfs/dbraw/zinc/03/29/14/263032914.db2.gz KIEJHUTYGFMQEM-IIAWOOMASA-N 2 1 294.870 3.591 20 0 CHADMP [NH3+]CCC[N@H+]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414700010 263033133 /nfs/dbraw/zinc/03/31/33/263033133.db2.gz ULMNYNKIVKUPRL-AWEZNQCLSA-N 2 1 286.341 3.581 20 0 CHADMP CC[N@@H+](Cc1ccc(C2CC2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000414711275 263033686 /nfs/dbraw/zinc/03/36/86/263033686.db2.gz HMZQDTITBUBAOU-SFHVURJKSA-N 2 1 272.436 3.528 20 0 CHADMP CCSc1cccc(C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)c1 ZINC000414713174 263034085 /nfs/dbraw/zinc/03/40/85/263034085.db2.gz KGACNIIGWLWBRV-INIZCTEOSA-N 2 1 292.492 3.763 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CCC[C@@H](CC[NH3+])C2)C1 ZINC000414746259 263037326 /nfs/dbraw/zinc/03/73/26/263037326.db2.gz YUDYIFAASXFGMA-UHOSZYNNSA-N 2 1 286.463 3.558 20 0 CHADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC000414748705 263037845 /nfs/dbraw/zinc/03/78/45/263037845.db2.gz UXTIVSZWSVOIIN-RKVPGOIHSA-N 2 1 290.426 3.741 20 0 CHADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)[C@@H](C)c1ccccc1 ZINC000414833452 263056526 /nfs/dbraw/zinc/05/65/26/263056526.db2.gz FSWMAHFEMXCXKR-RVKKMQEKSA-N 2 1 274.452 3.676 20 0 CHADMP C[C@H](CCc1ccsc1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414832484 263056780 /nfs/dbraw/zinc/05/67/80/263056780.db2.gz DPFFKMDCEVFIHT-CJNGLKHVSA-N 2 1 280.481 3.566 20 0 CHADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC000414851843 263068358 /nfs/dbraw/zinc/06/83/58/263068358.db2.gz PVSUETNMERKZBZ-RDJZCZTQSA-N 2 1 276.468 3.706 20 0 CHADMP Cc1cc(C[NH2+][C@H](C[NH3+])C2CCCCC2)cc2cccnc12 ZINC000414856037 263072341 /nfs/dbraw/zinc/07/23/41/263072341.db2.gz YAIZENCBQSMYTL-GOSISDBHSA-N 2 1 297.446 3.540 20 0 CHADMP Cc1ccc2cc(C[NH2+]CC3([NH3+])CCCCCC3)ccc2n1 ZINC000414864478 263076862 /nfs/dbraw/zinc/07/68/62/263076862.db2.gz ZEMAKOYCJAQYDI-UHFFFAOYSA-N 2 1 297.446 3.685 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000282997871 263080150 /nfs/dbraw/zinc/08/01/50/263080150.db2.gz GAAOFOSRQFDAPP-NBMJBFSESA-N 2 1 286.463 3.500 20 0 CHADMP C[N@H+](Cc1ccc(Cl)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285501772 263093489 /nfs/dbraw/zinc/09/34/89/263093489.db2.gz MUQYLKMMZAVDSE-PBWFPOADSA-N 2 1 296.817 3.536 20 0 CHADMP C[N@@H+](Cc1ccc(Cl)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285501772 263093490 /nfs/dbraw/zinc/09/34/90/263093490.db2.gz MUQYLKMMZAVDSE-PBWFPOADSA-N 2 1 296.817 3.536 20 0 CHADMP C[NH+](Cc1ccc(Cl)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285501772 263093491 /nfs/dbraw/zinc/09/34/91/263093491.db2.gz MUQYLKMMZAVDSE-PBWFPOADSA-N 2 1 296.817 3.536 20 0 CHADMP C[NH+](Cc1ccc(Cl)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285501772 263093492 /nfs/dbraw/zinc/09/34/92/263093492.db2.gz MUQYLKMMZAVDSE-PBWFPOADSA-N 2 1 296.817 3.536 20 0 CHADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000226541069 263103580 /nfs/dbraw/zinc/10/35/80/263103580.db2.gz JSSYKNNQGDSSRL-OFQRWUPVSA-N 2 1 274.452 3.714 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]CC2(C3CC3)CC2)C[C@H]1c1ccccc1 ZINC000340310288 263108755 /nfs/dbraw/zinc/10/87/55/263108755.db2.gz WMTULADHKZTTHB-ROUUACIJSA-N 2 1 284.447 3.602 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC2(C3CC3)CC2)C[C@H]1c1ccccc1 ZINC000340310288 263108756 /nfs/dbraw/zinc/10/87/56/263108756.db2.gz WMTULADHKZTTHB-ROUUACIJSA-N 2 1 284.447 3.602 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1Cl ZINC000415091255 263272007 /nfs/dbraw/zinc/27/20/07/263272007.db2.gz QDAVFYGHYLQATO-GHMZBOCLSA-N 2 1 287.234 3.644 20 0 CHADMP CCC(C)(C)C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415102138 263274298 /nfs/dbraw/zinc/27/42/98/263274298.db2.gz JLPKWYAFDRPSFZ-HOTGVXAUSA-N 2 1 260.425 3.506 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC2(C)C)cc1F ZINC000342736956 263470945 /nfs/dbraw/zinc/47/09/45/263470945.db2.gz QEKQZYOXUQOMAQ-MRXNPFEDSA-N 2 1 287.382 3.598 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CC23CC3)cc1 ZINC000417345559 263797319 /nfs/dbraw/zinc/79/73/19/263797319.db2.gz XSCPNANBPYEUEH-BBRMVZONSA-N 2 1 281.403 3.631 20 0 CHADMP CS[C@@H]1CC[C@H]1[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000425361220 264147351 /nfs/dbraw/zinc/14/73/51/264147351.db2.gz UAJZOOUSUSRAGK-IAGOWNOFSA-N 2 1 292.492 3.510 20 0 CHADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000070169698 264225306 /nfs/dbraw/zinc/22/53/06/264225306.db2.gz SLFIHPYMEFBNEB-LLVKDONJSA-N 2 1 287.234 3.554 20 0 CHADMP CC[C@@H](c1ccccc1)[N@H+](CC)CCn1cc[nH+]c1C ZINC000346280472 265108098 /nfs/dbraw/zinc/10/80/98/265108098.db2.gz RVSHULSZCGIIPO-KRWDZBQOSA-N 2 1 271.408 3.665 20 0 CHADMP CC[C@@H](c1ccccc1)[N@@H+](CC)CCn1cc[nH+]c1C ZINC000346280472 265108100 /nfs/dbraw/zinc/10/81/00/265108100.db2.gz RVSHULSZCGIIPO-KRWDZBQOSA-N 2 1 271.408 3.665 20 0 CHADMP CC[NH+](CC)CCC[N@H+](Cc1ccco1)C1CCCC1 ZINC000347992634 265141314 /nfs/dbraw/zinc/14/13/14/265141314.db2.gz CVAKAGPSBOGYIS-UHFFFAOYSA-N 2 1 278.440 3.756 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](Cc1ccco1)C1CCCC1 ZINC000347992634 265141317 /nfs/dbraw/zinc/14/13/17/265141317.db2.gz CVAKAGPSBOGYIS-UHFFFAOYSA-N 2 1 278.440 3.756 20 0 CHADMP CC1(C)CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000094303075 265232488 /nfs/dbraw/zinc/23/24/88/265232488.db2.gz IYZCSSVBSFCSFG-GOSISDBHSA-N 2 1 286.463 3.819 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000371088929 267350122 /nfs/dbraw/zinc/35/01/22/267350122.db2.gz PTZPVLVLAWXDSN-HOTGVXAUSA-N 2 1 292.854 3.673 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000531700571 328025764 /nfs/dbraw/zinc/02/57/64/328025764.db2.gz REXPJBNLASSRIO-CXAGYDPISA-N 2 1 292.854 3.649 20 0 CHADMP CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC000531702187 328026077 /nfs/dbraw/zinc/02/60/77/328026077.db2.gz IXPREWODCUVPSE-CABCVRRESA-N 2 1 262.441 3.663 20 0 CHADMP CC(C)(C)C[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000041120182 328028516 /nfs/dbraw/zinc/02/85/16/328028516.db2.gz AIDBTDCELXYZNN-UHFFFAOYSA-N 2 1 266.473 3.811 20 0 CHADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1ccccc1Cl ZINC000534019868 328033040 /nfs/dbraw/zinc/03/30/40/328033040.db2.gz LTGOTTGCWSGMFB-YOEHRIQHSA-N 2 1 292.854 3.961 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1ccccc1Cl ZINC000534019868 328033041 /nfs/dbraw/zinc/03/30/41/328033041.db2.gz LTGOTTGCWSGMFB-YOEHRIQHSA-N 2 1 292.854 3.961 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000534019868 328033042 /nfs/dbraw/zinc/03/30/42/328033042.db2.gz LTGOTTGCWSGMFB-YOEHRIQHSA-N 2 1 292.854 3.961 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000534019868 328033043 /nfs/dbraw/zinc/03/30/43/328033043.db2.gz LTGOTTGCWSGMFB-YOEHRIQHSA-N 2 1 292.854 3.961 20 0 CHADMP Cc1ccsc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000534347808 328047313 /nfs/dbraw/zinc/04/73/13/328047313.db2.gz NOLRGRWAPKRZIL-UHFFFAOYSA-N 2 1 280.481 3.609 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1C(C)(C)C ZINC000534353149 328048338 /nfs/dbraw/zinc/04/83/38/328048338.db2.gz PNKIVLVYJXORCQ-HZPDHXFCSA-N 2 1 288.479 3.977 20 0 CHADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC000401760423 328056811 /nfs/dbraw/zinc/05/68/11/328056811.db2.gz BNZXQFSYLDQQPT-LJQANCHMSA-N 2 1 297.446 3.874 20 0 CHADMP Cc1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(C)s1 ZINC000563481156 328069747 /nfs/dbraw/zinc/06/97/47/328069747.db2.gz AKUDROQAHWIJFU-INIZCTEOSA-N 2 1 292.492 3.529 20 0 CHADMP CCC1(CC)CCC[N@H+](CCCc2c[nH+]cn2C)CC1 ZINC000565167380 328070311 /nfs/dbraw/zinc/07/03/11/328070311.db2.gz XAPZYDMGVKZULX-UHFFFAOYSA-N 2 1 277.456 3.645 20 0 CHADMP CCC1(CC)CCC[N@@H+](CCCc2c[nH+]cn2C)CC1 ZINC000565167380 328070312 /nfs/dbraw/zinc/07/03/12/328070312.db2.gz XAPZYDMGVKZULX-UHFFFAOYSA-N 2 1 277.456 3.645 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1)c1c[nH+]ccc1N ZINC000571156484 328088923 /nfs/dbraw/zinc/08/89/23/328088923.db2.gz GCFNVPNBYZBVQG-DUVNUKRYSA-N 2 1 299.393 3.620 20 0 CHADMP CC[C@@H]([NH2+]CCCc1c[nH+]cn1C)C(C)(C)c1ccccc1 ZINC000571414021 328119788 /nfs/dbraw/zinc/11/97/88/328119788.db2.gz CVFPUTWGRKRSNV-GOSISDBHSA-N 2 1 299.462 3.699 20 0 CHADMP C[C@@]1(C[NH3+])CC[N@@H+](CC2CCC(c3ccccc3)CC2)C1 ZINC000414728490 328217317 /nfs/dbraw/zinc/21/73/17/328217317.db2.gz CPOKJUKLDNBFRZ-KVZIAJEVSA-N 2 1 286.463 3.631 20 0 CHADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H](C)c1ccc(F)cc1 ZINC000414696588 328214739 /nfs/dbraw/zinc/21/47/39/328214739.db2.gz GODYUUZTRXHPOS-RBSFLKMASA-N 2 1 278.415 3.597 20 0 CHADMP c1ccc(C2CCC(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC000414769699 328221640 /nfs/dbraw/zinc/22/16/40/328221640.db2.gz XBODRHNEZBWPQL-LYBXBRPPSA-N 2 1 298.474 3.646 20 0 CHADMP CC(C)[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000531944991 328323929 /nfs/dbraw/zinc/32/39/29/328323929.db2.gz RSHILPKGXBCJPG-SFHVURJKSA-N 2 1 274.452 3.533 20 0 CHADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C(C)C ZINC000531938348 328322337 /nfs/dbraw/zinc/32/23/37/328322337.db2.gz VZVXOSRJZXXYRP-HZPDHXFCSA-N 2 1 254.462 3.665 20 0 CHADMP CC(C)[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000531957199 328339003 /nfs/dbraw/zinc/33/90/03/328339003.db2.gz FJUAIAFTVJVNJS-GOEBONIOSA-N 2 1 266.473 3.521 20 0 CHADMP CC(C)[C@@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC000531957199 328339005 /nfs/dbraw/zinc/33/90/05/328339005.db2.gz FJUAIAFTVJVNJS-GOEBONIOSA-N 2 1 266.473 3.521 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@@H](C)C1CCCCC1 ZINC000531970699 328358716 /nfs/dbraw/zinc/35/87/16/328358716.db2.gz KIUZLCKCUJHXTR-OWCLPIDISA-N 2 1 266.473 3.523 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@](C)(c2ccccc2)C1 ZINC000534758346 328360538 /nfs/dbraw/zinc/36/05/38/328360538.db2.gz YURUMEHRKCVCIL-OALUTQOASA-N 2 1 286.463 3.524 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000534758346 328360539 /nfs/dbraw/zinc/36/05/39/328360539.db2.gz YURUMEHRKCVCIL-OALUTQOASA-N 2 1 286.463 3.524 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000534758346 328360540 /nfs/dbraw/zinc/36/05/40/328360540.db2.gz YURUMEHRKCVCIL-OALUTQOASA-N 2 1 286.463 3.524 20 0 CHADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000049554378 328371853 /nfs/dbraw/zinc/37/18/53/328371853.db2.gz BYKQRCWEAHMCID-NEPJUHHUSA-N 2 1 297.512 3.740 20 0 CHADMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1F ZINC000535083256 328385507 /nfs/dbraw/zinc/38/55/07/328385507.db2.gz QPXFPHHGPKYCGK-UHFFFAOYSA-N 2 1 292.442 3.686 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@H]2C)c1 ZINC000532041608 328397904 /nfs/dbraw/zinc/39/79/04/328397904.db2.gz FGVGIFQROJMGSJ-QAPCUYQASA-N 2 1 274.452 3.805 20 0 CHADMP CCCC[C@H](CCC)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000394143053 326856405 /nfs/dbraw/zinc/85/64/05/326856405.db2.gz XBYALIICSXKFAN-AWEZNQCLSA-N 2 1 252.446 3.562 20 0 CHADMP CC(C)CC[C@H]([NH2+]CCCc1c[nH+]cn1C)C(C)(C)C ZINC000568289485 326990343 /nfs/dbraw/zinc/99/03/43/326990343.db2.gz HXWDZZWAHXCLGK-INIZCTEOSA-N 2 1 279.472 3.793 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C/C(C)=C\c2ccccc2)[C@H](C)C1 ZINC000255868956 327022042 /nfs/dbraw/zinc/02/20/42/327022042.db2.gz TZACIYWDEMMGGA-FPWIVQKUSA-N 2 1 286.463 3.752 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C/C(C)=C\c2ccccc2)[C@H](C)C1 ZINC000255868956 327022044 /nfs/dbraw/zinc/02/20/44/327022044.db2.gz TZACIYWDEMMGGA-FPWIVQKUSA-N 2 1 286.463 3.752 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C/C(C)=C\c2ccccc2)[C@H](C)C1 ZINC000255868956 327022045 /nfs/dbraw/zinc/02/20/45/327022045.db2.gz TZACIYWDEMMGGA-FPWIVQKUSA-N 2 1 286.463 3.752 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCC(C)(C)C2)[C@@H](C)C1 ZINC000557828549 327029654 /nfs/dbraw/zinc/02/96/54/327029654.db2.gz WNKGUABHSUAYFY-JYJNAYRXSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000558242405 327080922 /nfs/dbraw/zinc/08/09/22/327080922.db2.gz XPMBOGRBHLKKFZ-XCLNPWKQSA-N 2 1 298.474 3.675 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000558242405 327080924 /nfs/dbraw/zinc/08/09/24/327080924.db2.gz XPMBOGRBHLKKFZ-XCLNPWKQSA-N 2 1 298.474 3.675 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc3ccccc3s2)C1 ZINC000558418677 327092663 /nfs/dbraw/zinc/09/26/63/327092663.db2.gz DMWQNQXPJQTTLT-AWEZNQCLSA-N 2 1 288.460 3.721 20 0 CHADMP CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000558490907 327098318 /nfs/dbraw/zinc/09/83/18/327098318.db2.gz LQDIVKOYWKIUFN-XIRDDKMYSA-N 2 1 276.468 3.585 20 0 CHADMP CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000558490907 327098320 /nfs/dbraw/zinc/09/83/20/327098320.db2.gz LQDIVKOYWKIUFN-XIRDDKMYSA-N 2 1 276.468 3.585 20 0 CHADMP Cc1ccc2cc[nH+]c(NC3CCC([NH+](C)C)CC3)c2c1 ZINC000564902796 327122524 /nfs/dbraw/zinc/12/25/24/327122524.db2.gz CTDWGXSXOMUERH-UHFFFAOYSA-N 2 1 283.419 3.828 20 0 CHADMP C[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)C1CCCCC1 ZINC000559106901 327141542 /nfs/dbraw/zinc/14/15/42/327141542.db2.gz MCCAKZZLKVQAFI-INMHGKMJSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)C1CCCCC1 ZINC000559106901 327141543 /nfs/dbraw/zinc/14/15/43/327141543.db2.gz MCCAKZZLKVQAFI-INMHGKMJSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)C1CCCCC1 ZINC000559106901 327141545 /nfs/dbraw/zinc/14/15/45/327141545.db2.gz MCCAKZZLKVQAFI-INMHGKMJSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)C1CCCCC1 ZINC000559106901 327141546 /nfs/dbraw/zinc/14/15/46/327141546.db2.gz MCCAKZZLKVQAFI-INMHGKMJSA-N 2 1 266.473 3.617 20 0 CHADMP CC[C@H](C)C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000409444772 327161747 /nfs/dbraw/zinc/16/17/47/327161747.db2.gz DTJRGKOAOKJWJG-INIZCTEOSA-N 2 1 274.452 3.629 20 0 CHADMP CC[C@H](C)C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000409444772 327161748 /nfs/dbraw/zinc/16/17/48/327161748.db2.gz DTJRGKOAOKJWJG-INIZCTEOSA-N 2 1 274.452 3.629 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(C)c2C)CC1 ZINC000092165529 327188731 /nfs/dbraw/zinc/18/87/31/327188731.db2.gz PNUJUSIZAKTKHZ-UHFFFAOYSA-N 2 1 274.452 3.610 20 0 CHADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000554376553 327216648 /nfs/dbraw/zinc/21/66/48/327216648.db2.gz SJLCGQFPQDUKPI-OIISXLGYSA-N 2 1 264.457 3.562 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2C=CCCCCC2)C1 ZINC000559796362 327262083 /nfs/dbraw/zinc/26/20/83/327262083.db2.gz SGAFGVHDJFABLI-DLBZAZTESA-N 2 1 264.457 3.539 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2C=CCCCCC2)C1 ZINC000559796362 327262084 /nfs/dbraw/zinc/26/20/84/327262084.db2.gz SGAFGVHDJFABLI-DLBZAZTESA-N 2 1 264.457 3.539 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2C=CCCCCC2)C1 ZINC000559796362 327262085 /nfs/dbraw/zinc/26/20/85/327262085.db2.gz SGAFGVHDJFABLI-DLBZAZTESA-N 2 1 264.457 3.539 20 0 CHADMP CC1=CC[C@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000559892740 327268696 /nfs/dbraw/zinc/26/86/96/327268696.db2.gz FKGVBEFGJIFQLX-HOTGVXAUSA-N 2 1 264.457 3.585 20 0 CHADMP CC1=CC[C@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000559892740 327268698 /nfs/dbraw/zinc/26/86/98/327268698.db2.gz FKGVBEFGJIFQLX-HOTGVXAUSA-N 2 1 264.457 3.585 20 0 CHADMP CC(C)=CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000559902072 327270096 /nfs/dbraw/zinc/27/00/96/327270096.db2.gz QPYQRGQTDPULGG-UHFFFAOYSA-N 2 1 286.463 3.985 20 0 CHADMP COc1cc(C)ccc1[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000560346835 327301726 /nfs/dbraw/zinc/30/17/26/327301726.db2.gz LUMBVAMBCFIKEX-HNNXBMFYSA-N 2 1 290.451 3.529 20 0 CHADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000560527668 327318943 /nfs/dbraw/zinc/31/89/43/327318943.db2.gz NLUDYOCYGABFQR-UONOGXRCSA-N 2 1 298.421 3.606 20 0 CHADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000560527668 327318945 /nfs/dbraw/zinc/31/89/45/327318945.db2.gz NLUDYOCYGABFQR-UONOGXRCSA-N 2 1 298.421 3.606 20 0 CHADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000560527669 327319057 /nfs/dbraw/zinc/31/90/57/327319057.db2.gz NLUDYOCYGABFQR-ZIAGYGMSSA-N 2 1 298.421 3.606 20 0 CHADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000560527669 327319059 /nfs/dbraw/zinc/31/90/59/327319059.db2.gz NLUDYOCYGABFQR-ZIAGYGMSSA-N 2 1 298.421 3.606 20 0 CHADMP C[C@@H]1C[C@H]1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000560544044 327322748 /nfs/dbraw/zinc/32/27/48/327322748.db2.gz YWJRFOMEVXALOH-MJGOQNOKSA-N 2 1 298.474 3.631 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000560581249 327327672 /nfs/dbraw/zinc/32/76/72/327327672.db2.gz GPTMVXNFWVCTGA-QXCFHYIPSA-N 2 1 286.463 3.643 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000560581249 327327674 /nfs/dbraw/zinc/32/76/74/327327674.db2.gz GPTMVXNFWVCTGA-QXCFHYIPSA-N 2 1 286.463 3.643 20 0 CHADMP C[C@@H](CC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000560594071 327329041 /nfs/dbraw/zinc/32/90/41/327329041.db2.gz FWHHWDVCZJMBNF-PKOBYXMFSA-N 2 1 286.463 3.598 20 0 CHADMP C[C@@H](CC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000560594071 327329042 /nfs/dbraw/zinc/32/90/42/327329042.db2.gz FWHHWDVCZJMBNF-PKOBYXMFSA-N 2 1 286.463 3.598 20 0 CHADMP C[C@@H](CC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000560594071 327329043 /nfs/dbraw/zinc/32/90/43/327329043.db2.gz FWHHWDVCZJMBNF-PKOBYXMFSA-N 2 1 286.463 3.598 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261574352 327389136 /nfs/dbraw/zinc/38/91/36/327389136.db2.gz XGHOSXJYIYUGHY-MGPQQGTHSA-N 2 1 280.843 3.721 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261574348 327389173 /nfs/dbraw/zinc/38/91/73/327389173.db2.gz XGHOSXJYIYUGHY-HZSPNIEDSA-N 2 1 280.843 3.721 20 0 CHADMP CC[C@H](C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000357340315 328869418 /nfs/dbraw/zinc/86/94/18/328869418.db2.gz AQCOPUCOJRKIMG-UONOGXRCSA-N 2 1 271.408 3.877 20 0 CHADMP C[C@H](CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000194073839 329065390 /nfs/dbraw/zinc/06/53/90/329065390.db2.gz AQUZMLVODMBMNT-BHIYHBOVSA-N 2 1 286.463 3.596 20 0 CHADMP C[C@H](CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000194073839 329065392 /nfs/dbraw/zinc/06/53/92/329065392.db2.gz AQUZMLVODMBMNT-BHIYHBOVSA-N 2 1 286.463 3.596 20 0 CHADMP C[C@H](CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000194073839 329065394 /nfs/dbraw/zinc/06/53/94/329065394.db2.gz AQUZMLVODMBMNT-BHIYHBOVSA-N 2 1 286.463 3.596 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(SC)cc2)C1 ZINC000174221041 329155659 /nfs/dbraw/zinc/15/56/59/329155659.db2.gz IBCWLGMJZIPUCF-MRXNPFEDSA-N 2 1 292.492 3.572 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(SC)cc2)C1 ZINC000174221041 329155660 /nfs/dbraw/zinc/15/56/60/329155660.db2.gz IBCWLGMJZIPUCF-MRXNPFEDSA-N 2 1 292.492 3.572 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C)sc2C)C1 ZINC000176272280 329174180 /nfs/dbraw/zinc/17/41/80/329174180.db2.gz GEIXLNFHLFOZPH-OAHLLOKOSA-N 2 1 280.481 3.529 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C)sc2C)C1 ZINC000176272280 329174182 /nfs/dbraw/zinc/17/41/82/329174182.db2.gz GEIXLNFHLFOZPH-OAHLLOKOSA-N 2 1 280.481 3.529 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C)sc2C)C1 ZINC000176272280 329174184 /nfs/dbraw/zinc/17/41/84/329174184.db2.gz GEIXLNFHLFOZPH-OAHLLOKOSA-N 2 1 280.481 3.529 20 0 CHADMP CC[C@@H](C)C[C@@H](CC)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000178703424 329202730 /nfs/dbraw/zinc/20/27/30/329202730.db2.gz MSGIAXJWMOTIMG-IIAWOOMASA-N 2 1 265.445 3.632 20 0 CHADMP Cc1ccc([C@@H]2CCCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000178973202 329203476 /nfs/dbraw/zinc/20/34/76/329203476.db2.gz HQZHUWLQHJGFDK-SFHVURJKSA-N 2 1 272.436 3.522 20 0 CHADMP CCc1nc(C)c([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)s1 ZINC000180401900 329215814 /nfs/dbraw/zinc/21/58/14/329215814.db2.gz ITEDJSAAILZUIF-GFCCVEGCSA-N 2 1 295.496 3.537 20 0 CHADMP Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000180182577 329218229 /nfs/dbraw/zinc/21/82/29/329218229.db2.gz FBZHKLIAYNMBAT-SFHVURJKSA-N 2 1 290.426 3.584 20 0 CHADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000180182577 329218230 /nfs/dbraw/zinc/21/82/30/329218230.db2.gz FBZHKLIAYNMBAT-SFHVURJKSA-N 2 1 290.426 3.584 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C/C=C/Cl)cc1 ZINC000183687790 329249335 /nfs/dbraw/zinc/24/93/35/329249335.db2.gz YGFGERWBRDVAOU-DGDCUBRUSA-N 2 1 275.783 3.584 20 0 CHADMP CC[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000582983186 329293906 /nfs/dbraw/zinc/29/39/06/329293906.db2.gz XTTQYTBFXHESFG-MSOLQXFVSA-N 2 1 274.452 3.805 20 0 CHADMP Cc1ccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000420363937 329762088 /nfs/dbraw/zinc/76/20/88/329762088.db2.gz CFCDLDRPNRYNCT-XLIONFOSSA-N 2 1 294.442 3.674 20 0 CHADMP CC(C)C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccn1 ZINC000247000186 329874033 /nfs/dbraw/zinc/87/40/33/329874033.db2.gz JULRZFHNFBLVHQ-JZXOWHBKSA-N 2 1 289.467 3.631 20 0 CHADMP CCC[C@@H]1CCCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000548159594 329938046 /nfs/dbraw/zinc/93/80/46/329938046.db2.gz ADGAIGOKXUBINP-SJORKVTESA-N 2 1 277.456 3.920 20 0 CHADMP c1cc(-c2ccccc2)sc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262142955 330000637 /nfs/dbraw/zinc/00/06/37/330000637.db2.gz ZIWPWVADNQERKV-SFHVURJKSA-N 2 1 298.455 3.601 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379626005 330143430 /nfs/dbraw/zinc/14/34/30/330143430.db2.gz GMAFYXKXWHPZPV-LPHOPBHVSA-N 2 1 286.463 3.819 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000379626005 330143431 /nfs/dbraw/zinc/14/34/31/330143431.db2.gz GMAFYXKXWHPZPV-LPHOPBHVSA-N 2 1 286.463 3.819 20 0 CHADMP CC(C)[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379637994 330144325 /nfs/dbraw/zinc/14/43/25/330144325.db2.gz ZFSNABOBKSLTQK-ZHALLVOQSA-N 2 1 288.479 3.921 20 0 CHADMP CC(C)[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379637994 330144326 /nfs/dbraw/zinc/14/43/26/330144326.db2.gz ZFSNABOBKSLTQK-ZHALLVOQSA-N 2 1 288.479 3.921 20 0 CHADMP C[C@H](CC[NH2+][C@@H]1CCC1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000379644530 330144946 /nfs/dbraw/zinc/14/49/46/330144946.db2.gz CLABZJIMUGGKJJ-NVXWUHKLSA-N 2 1 274.452 3.675 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C(C2CC2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379641569 330146110 /nfs/dbraw/zinc/14/61/10/330146110.db2.gz DFIOTFDEWZYAFK-KXBFYZLASA-N 2 1 298.474 3.818 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C(C2CC2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000379641569 330146111 /nfs/dbraw/zinc/14/61/11/330146111.db2.gz DFIOTFDEWZYAFK-KXBFYZLASA-N 2 1 298.474 3.818 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000379642889 330146355 /nfs/dbraw/zinc/14/63/55/330146355.db2.gz ANBHURLIYZGLAU-RDJZCZTQSA-N 2 1 274.452 3.675 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000379642889 330146357 /nfs/dbraw/zinc/14/63/57/330146357.db2.gz ANBHURLIYZGLAU-RDJZCZTQSA-N 2 1 274.452 3.675 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000422749933 330153339 /nfs/dbraw/zinc/15/33/39/330153339.db2.gz BMZMSGCXTBGIQN-GRYCIOLGSA-N 2 1 284.806 3.518 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1cc(Cl)ccc1Cl ZINC000422785867 330155016 /nfs/dbraw/zinc/15/50/16/330155016.db2.gz RWJDWPSLCCRZOV-LPEHRKFASA-N 2 1 275.223 3.770 20 0 CHADMP C[C@@H](CCC[NH3+])Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000422925009 330160863 /nfs/dbraw/zinc/16/08/63/330160863.db2.gz URVFQIYGCYVIRU-HOTGVXAUSA-N 2 1 289.467 3.600 20 0 CHADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(Cl)s1 ZINC000423536239 330210540 /nfs/dbraw/zinc/21/05/40/330210540.db2.gz ZCJCVCXFHVYDQD-KOLCDFICSA-N 2 1 272.845 3.570 20 0 CHADMP Cc1c(C)c(C)c(C[NH2+][C@H](C)c2c[nH+]ccc2N)c(C)c1C ZINC000422997333 330163614 /nfs/dbraw/zinc/16/36/14/330163614.db2.gz NOZDLGOEOCOIOR-MRXNPFEDSA-N 2 1 297.446 3.887 20 0 CHADMP COc1ccccc1[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000422952337 330164132 /nfs/dbraw/zinc/16/41/32/330164132.db2.gz CGDSCMIKGMTIAF-QMTMVMCOSA-N 2 1 298.430 3.500 20 0 CHADMP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000422958490 330164298 /nfs/dbraw/zinc/16/42/98/330164298.db2.gz PIXYMMGVFAHTBZ-DDBAPUKQSA-N 2 1 272.436 3.648 20 0 CHADMP C[C@@H]([NH2+]CC(C)(C)C1CCCCC1)c1c[nH+]ccc1N ZINC000423026583 330166078 /nfs/dbraw/zinc/16/60/78/330166078.db2.gz QHNCPVHMZFIRNI-CYBMUJFWSA-N 2 1 275.440 3.751 20 0 CHADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)c2ccccc21 ZINC000423077725 330168441 /nfs/dbraw/zinc/16/84/41/330168441.db2.gz MWRYPFFFFFUMRQ-RTBURBONSA-N 2 1 278.399 3.798 20 0 CHADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423100593 330170313 /nfs/dbraw/zinc/17/03/13/330170313.db2.gz NADFVVDISUOATF-BGTYHANMSA-N 2 1 272.436 3.506 20 0 CHADMP C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2Cl)C1)[C@@H]1CCCC[NH2+]1 ZINC000423143217 330172548 /nfs/dbraw/zinc/17/25/48/330172548.db2.gz CPGZQBLFWVGRAD-WSMBLCCSSA-N 2 1 292.854 3.706 20 0 CHADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000423167809 330174172 /nfs/dbraw/zinc/17/41/72/330174172.db2.gz XGUJSAUTOQCHAR-BRWVUGGUSA-N 2 1 296.524 3.516 20 0 CHADMP CSc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1 ZINC000423177250 330174990 /nfs/dbraw/zinc/17/49/90/330174990.db2.gz IRRFHEBVXHRYPZ-ZDUSSCGKSA-N 2 1 278.465 3.721 20 0 CHADMP CSc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1 ZINC000423177249 330175109 /nfs/dbraw/zinc/17/51/09/330175109.db2.gz IRRFHEBVXHRYPZ-CYBMUJFWSA-N 2 1 278.465 3.721 20 0 CHADMP CCc1nc(C)c([C@H](C)[NH2+]CC2([NH3+])CCCCCC2)s1 ZINC000423203241 330177160 /nfs/dbraw/zinc/17/71/60/330177160.db2.gz RZZPFSIDDXXCSV-LBPRGKRZSA-N 2 1 295.496 3.716 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CC[C@H](C)c2ccsc21 ZINC000423260433 330183689 /nfs/dbraw/zinc/18/36/89/330183689.db2.gz HLMHESUVETZUAM-SCRDCRAPSA-N 2 1 266.454 3.650 20 0 CHADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)C1CCC(F)(F)CC1 ZINC000423263768 330183830 /nfs/dbraw/zinc/18/38/30/330183830.db2.gz OVOYZNUEXPOGDU-DOMZBBRYSA-N 2 1 288.426 3.698 20 0 CHADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)C1CCC(F)(F)CC1 ZINC000423263770 330183863 /nfs/dbraw/zinc/18/38/63/330183863.db2.gz OVOYZNUEXPOGDU-IUODEOHRSA-N 2 1 288.426 3.698 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000423266113 330184019 /nfs/dbraw/zinc/18/40/19/330184019.db2.gz CUBPPCUFMGOMDP-NWDGAFQWSA-N 2 1 288.357 3.729 20 0 CHADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(-c2ccccc2)s1 ZINC000423266717 330184090 /nfs/dbraw/zinc/18/40/90/330184090.db2.gz CBYDSYHHNLVKTA-IUODEOHRSA-N 2 1 286.444 3.803 20 0 CHADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000423263873 330184163 /nfs/dbraw/zinc/18/41/63/330184163.db2.gz BHLAFKAAFLTPQX-CHWSQXEVSA-N 2 1 287.234 3.554 20 0 CHADMP CC(C)=CCC[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423269593 330184270 /nfs/dbraw/zinc/18/42/70/330184270.db2.gz VXADBZUQBAMAAB-GDBMZVCRSA-N 2 1 252.446 3.619 20 0 CHADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000423271370 330184806 /nfs/dbraw/zinc/18/48/06/330184806.db2.gz JBFHOQJXEYLVFO-RNCFNFMXSA-N 2 1 275.223 3.627 20 0 CHADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cc2cc(Cl)ccc2o1 ZINC000423276360 330184918 /nfs/dbraw/zinc/18/49/18/330184918.db2.gz OGVNJICSVPEVRV-WDEREUQCSA-N 2 1 280.799 3.592 20 0 CHADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000423276358 330185147 /nfs/dbraw/zinc/18/51/47/330185147.db2.gz OGVNJICSVPEVRV-MNOVXSKESA-N 2 1 280.799 3.592 20 0 CHADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](c1ccccc1)c1ccc(C)cc1 ZINC000423277306 330185172 /nfs/dbraw/zinc/18/51/72/330185172.db2.gz PSSZBZJKRBSPBG-VQIMIIECSA-N 2 1 282.431 3.530 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000423280765 330185484 /nfs/dbraw/zinc/18/54/84/330185484.db2.gz ABPCHUHAXVWKQD-NSHDSACASA-N 2 1 299.256 3.617 20 0 CHADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc(-c2ccccc2)c1 ZINC000423282494 330185682 /nfs/dbraw/zinc/18/56/82/330185682.db2.gz VDTJBVWPJWGEEE-IFXJQAMLSA-N 2 1 280.415 3.742 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(SC)c(F)c1 ZINC000423287544 330185956 /nfs/dbraw/zinc/18/59/56/330185956.db2.gz MWMVMXCDDZBMRW-LLVKDONJSA-N 2 1 284.444 3.716 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000423288682 330186552 /nfs/dbraw/zinc/18/65/52/330186552.db2.gz UJHAUIJQTFCQLS-LBPRGKRZSA-N 2 1 260.381 3.601 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(SC)c(OC)c1 ZINC000423294447 330187902 /nfs/dbraw/zinc/18/79/02/330187902.db2.gz BYXKYPLMIKZVLV-JSGCOSHPSA-N 2 1 296.480 3.585 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000423302840 330189088 /nfs/dbraw/zinc/18/90/88/330189088.db2.gz WBBJIBOPFPFNDX-BLYZHGLHSA-N 2 1 294.405 3.851 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCCC12CCCC2 ZINC000423304453 330189299 /nfs/dbraw/zinc/18/92/99/330189299.db2.gz YWJJVDXUPFOXLP-CABCVRRESA-N 2 1 252.446 3.597 20 0 CHADMP [NH3+][C@H](C[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1)C1CC1 ZINC000423313545 330189870 /nfs/dbraw/zinc/18/98/70/330189870.db2.gz FULRGNUZMGMNSP-CVEARBPZSA-N 2 1 278.827 3.508 20 0 CHADMP Cc1ccccc1COc1ccc([C@@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000423323654 330190710 /nfs/dbraw/zinc/19/07/10/330190710.db2.gz JZFKSBUWKJGCSZ-HZPDHXFCSA-N 2 1 298.430 3.572 20 0 CHADMP CC(C)[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(F)ccc1F ZINC000423329187 330191062 /nfs/dbraw/zinc/19/10/62/330191062.db2.gz FCUUMNIYCBBYNY-IAGOWNOFSA-N 2 1 296.405 3.641 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cc(Cl)ccc1Cl ZINC000423397109 330195653 /nfs/dbraw/zinc/19/56/53/330195653.db2.gz ODCXKQONTVPEQC-PKFCDNJMSA-N 2 1 287.234 3.642 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc(Cl)ccc1OC ZINC000423398734 330195782 /nfs/dbraw/zinc/19/57/82/330195782.db2.gz VJKJQFIWEDLSMV-KYOSRNDESA-N 2 1 296.842 3.530 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(-c2c(F)cccc2F)cc1 ZINC000423408765 330196974 /nfs/dbraw/zinc/19/69/74/330196974.db2.gz XYCBSUIDRBGFBL-NWDGAFQWSA-N 2 1 290.357 3.630 20 0 CHADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000423410296 330197209 /nfs/dbraw/zinc/19/72/09/330197209.db2.gz ZVBFWNPAXVTISF-ZMYBRWDISA-N 2 1 298.405 3.503 20 0 CHADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000423378078 330198891 /nfs/dbraw/zinc/19/88/91/330198891.db2.gz MDWBXPODQJRUHQ-GMXVVIOVSA-N 2 1 295.496 3.540 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(-c2ccccc2)o1 ZINC000423383366 330199333 /nfs/dbraw/zinc/19/93/33/330199333.db2.gz FAJDTLIYPNJMKU-YCPHGPKFSA-N 2 1 284.403 3.595 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)C1CCC(F)(F)CC1 ZINC000423390573 330200302 /nfs/dbraw/zinc/20/03/02/330200302.db2.gz ONQROURPQBQNHH-OCCSQVGLSA-N 2 1 288.426 3.568 20 0 CHADMP CCC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423454141 330203403 /nfs/dbraw/zinc/20/34/03/330203403.db2.gz YQSKOLCZQHUZHW-SUNKGSAMSA-N 2 1 254.805 3.507 20 0 CHADMP CC[C@@H]([NH3+])C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000423471008 330204991 /nfs/dbraw/zinc/20/49/91/330204991.db2.gz PMULTLFKRHVVBG-RISCZKNCSA-N 2 1 287.234 3.771 20 0 CHADMP CSc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000423509415 330209172 /nfs/dbraw/zinc/20/91/72/330209172.db2.gz JRCCZZNCIFCANA-LRDDRELGSA-N 2 1 278.465 3.577 20 0 CHADMP C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccsc1 ZINC000423532832 330210215 /nfs/dbraw/zinc/21/02/15/330210215.db2.gz VYUFTPLRZRYJMB-WQPVAANYSA-N 2 1 290.476 3.552 20 0 CHADMP Fc1ccc([C@@H]([NH2+]CCC[NH2+]C2CC2)c2ccccc2)cc1 ZINC000423543841 330211108 /nfs/dbraw/zinc/21/11/08/330211108.db2.gz CGAUUUSZHWIVAF-IBGZPJMESA-N 2 1 298.405 3.647 20 0 CHADMP Fc1ccc([C@H]([NH2+]CCC[NH2+]C2CC2)c2ccccc2)cc1 ZINC000423543842 330211196 /nfs/dbraw/zinc/21/11/96/330211196.db2.gz CGAUUUSZHWIVAF-LJQANCHMSA-N 2 1 298.405 3.647 20 0 CHADMP CC(C)[C@H](C[NH2+]C[C@H](C)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000527115814 330222871 /nfs/dbraw/zinc/22/28/71/330222871.db2.gz MRTNHZVFZQZDDY-YJBOKZPZSA-N 2 1 292.442 3.639 20 0 CHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]CC3(F)CC3)cc2)C1 ZINC000527514141 330255725 /nfs/dbraw/zinc/25/57/25/330255725.db2.gz MZHDVYRORICAJN-OAHLLOKOSA-N 2 1 290.426 3.510 20 0 CHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]CC1(F)CC1 ZINC000527513425 330255855 /nfs/dbraw/zinc/25/58/55/330255855.db2.gz CURSHYODUAZQBB-OAHLLOKOSA-N 2 1 290.426 3.653 20 0 CHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]CC2(F)CC2)cc1 ZINC000527514186 330255906 /nfs/dbraw/zinc/25/59/06/330255906.db2.gz XREVKEHSWWRPOX-HNNXBMFYSA-N 2 1 290.426 3.653 20 0 CHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]CC3(F)CC3)cc2)C1 ZINC000527514140 330255929 /nfs/dbraw/zinc/25/59/29/330255929.db2.gz MZHDVYRORICAJN-HNNXBMFYSA-N 2 1 290.426 3.510 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000527682503 330271058 /nfs/dbraw/zinc/27/10/58/330271058.db2.gz HJZAHRHFUSROGQ-PMACEKPBSA-N 2 1 298.474 3.954 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(C)ccc1C ZINC000527817354 330282828 /nfs/dbraw/zinc/28/28/28/330282828.db2.gz CMXISNXUNAQDHN-AOIWGVFYSA-N 2 1 286.463 3.971 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@@H]1CC12CC2 ZINC000527865716 330285578 /nfs/dbraw/zinc/28/55/78/330285578.db2.gz ODRPIXBZTZZCEY-BXWFABGCSA-N 2 1 298.474 3.990 20 0 CHADMP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000527987660 330298817 /nfs/dbraw/zinc/29/88/17/330298817.db2.gz UPUACNGFXIFEFE-MJBXVCDLSA-N 2 1 288.426 3.520 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000533072663 330326932 /nfs/dbraw/zinc/32/69/32/330326932.db2.gz WZBXYBBOSYBNBI-HKUYNNGSSA-N 2 1 288.479 3.774 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000533072663 330326933 /nfs/dbraw/zinc/32/69/33/330326933.db2.gz WZBXYBBOSYBNBI-HKUYNNGSSA-N 2 1 288.479 3.774 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000533072663 330326934 /nfs/dbraw/zinc/32/69/34/330326934.db2.gz WZBXYBBOSYBNBI-HKUYNNGSSA-N 2 1 288.479 3.774 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCCC2 ZINC000044534231 330329729 /nfs/dbraw/zinc/32/97/29/330329729.db2.gz FBYWFVDSHKSONJ-CVEARBPZSA-N 2 1 286.463 3.558 20 0 CHADMP CC(C)(C)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000106868518 330341524 /nfs/dbraw/zinc/34/15/24/330341524.db2.gz SPIUXJIYCFTJKN-QZTJIDSGSA-N 2 1 286.463 3.701 20 0 CHADMP Cc1oc2ccccc2c1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424368942 330348093 /nfs/dbraw/zinc/34/80/93/330348093.db2.gz AVTVNFCKGQPSSV-CQSZACIVSA-N 2 1 298.430 3.705 20 0 CHADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CC(c2ccccc2C)C1 ZINC000045692260 330348668 /nfs/dbraw/zinc/34/86/68/330348668.db2.gz YMZSPPURNXBVCI-KLAILNCOSA-N 2 1 274.452 3.561 20 0 CHADMP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(Cl)c(F)c1 ZINC000212813345 330366952 /nfs/dbraw/zinc/36/69/52/330366952.db2.gz LWBFEDJUPWCAMU-NSHDSACASA-N 2 1 286.822 3.718 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)C1 ZINC000536948470 330373111 /nfs/dbraw/zinc/37/31/11/330373111.db2.gz UMGWULUHYFZVDP-KDOFPFPSSA-N 2 1 290.426 3.517 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)C(C)(C)c1ccccc1 ZINC000537053575 330395237 /nfs/dbraw/zinc/39/52/37/330395237.db2.gz WMJBBVDNFQJZPL-SJLPKXTDSA-N 2 1 288.479 3.817 20 0 CHADMP Cc1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cs1 ZINC000449179334 330904121 /nfs/dbraw/zinc/90/41/21/330904121.db2.gz VNZRDLGHOFSOAU-UHFFFAOYSA-N 2 1 292.492 3.943 20 0 CHADMP C[N@@H+](CC/C=C\c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000450981930 331010035 /nfs/dbraw/zinc/01/00/35/331010035.db2.gz JINROCMYKOTYJC-CFISCXMPSA-N 2 1 284.447 3.647 20 0 CHADMP C[NH+](CC/C=C\c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000450981930 331010036 /nfs/dbraw/zinc/01/00/36/331010036.db2.gz JINROCMYKOTYJC-CFISCXMPSA-N 2 1 284.447 3.647 20 0 CHADMP C[NH+](CC/C=C\c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000450981930 331010037 /nfs/dbraw/zinc/01/00/37/331010037.db2.gz JINROCMYKOTYJC-CFISCXMPSA-N 2 1 284.447 3.647 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C ZINC000451181737 331019145 /nfs/dbraw/zinc/01/91/45/331019145.db2.gz HVRRIVABTOZEAY-GPMSIDNRSA-N 2 1 297.446 3.848 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C ZINC000451181737 331019146 /nfs/dbraw/zinc/01/91/46/331019146.db2.gz HVRRIVABTOZEAY-GPMSIDNRSA-N 2 1 297.446 3.848 20 0 CHADMP CCC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)C(C)(C)C ZINC000451442134 331029758 /nfs/dbraw/zinc/02/97/58/331029758.db2.gz UGLSNAPCFNETGD-ZFWWWQNUSA-N 2 1 265.445 3.632 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC000163524157 331051418 /nfs/dbraw/zinc/05/14/18/331051418.db2.gz MSNICOWNBXQWGF-VXLLPVPCSA-N 2 1 280.500 3.769 20 0 CHADMP C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2sccc21 ZINC000453058867 331085387 /nfs/dbraw/zinc/08/53/87/331085387.db2.gz ABXASFWYJFHPHJ-BLLLJJGKSA-N 2 1 290.476 3.903 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cs1 ZINC000453113598 331090412 /nfs/dbraw/zinc/09/04/12/331090412.db2.gz UMMPEFPTURWKJS-CABCVRRESA-N 2 1 280.481 3.828 20 0 CHADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000453251950 331107767 /nfs/dbraw/zinc/10/77/67/331107767.db2.gz GQDNXCCJKIFGGZ-SNUQEOBHSA-N 2 1 290.426 3.521 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000453251950 331107768 /nfs/dbraw/zinc/10/77/68/331107768.db2.gz GQDNXCCJKIFGGZ-SNUQEOBHSA-N 2 1 290.426 3.521 20 0 CHADMP CC[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000453304219 331113719 /nfs/dbraw/zinc/11/37/19/331113719.db2.gz FMVNLVBZCNWRBL-YSHGAJCASA-N 2 1 286.463 3.533 20 0 CHADMP CC[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000453304219 331113720 /nfs/dbraw/zinc/11/37/20/331113720.db2.gz FMVNLVBZCNWRBL-YSHGAJCASA-N 2 1 286.463 3.533 20 0 CHADMP C[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2sccc21 ZINC000453347656 331120207 /nfs/dbraw/zinc/12/02/07/331120207.db2.gz KXMBHSRZKYTBSX-DUCPWMDDSA-N 2 1 290.476 3.901 20 0 CHADMP C[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2sccc21 ZINC000453347673 331120284 /nfs/dbraw/zinc/12/02/84/331120284.db2.gz KXMBHSRZKYTBSX-QGMOTEBLSA-N 2 1 290.476 3.901 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(C)c1F ZINC000453353872 331121018 /nfs/dbraw/zinc/12/10/18/331121018.db2.gz NSFZVRYMPNNAPN-HZTRTUMWSA-N 2 1 290.426 3.718 20 0 CHADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(Cl)s1 ZINC000453438277 331131807 /nfs/dbraw/zinc/13/18/07/331131807.db2.gz VTUVADFFRDLCIS-NSHDSACASA-N 2 1 286.872 3.927 20 0 CHADMP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccccc1 ZINC000164611286 331263037 /nfs/dbraw/zinc/26/30/37/331263037.db2.gz MRSXIUPTFTVINX-QGZVFWFLSA-N 2 1 271.408 3.713 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C3CC3)cc2)C1 ZINC000459384750 331279458 /nfs/dbraw/zinc/27/94/58/331279458.db2.gz YAPUQJLSSROXML-QGZVFWFLSA-N 2 1 286.463 3.728 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000459384750 331279459 /nfs/dbraw/zinc/27/94/59/331279459.db2.gz YAPUQJLSSROXML-QGZVFWFLSA-N 2 1 286.463 3.728 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000459384750 331279460 /nfs/dbraw/zinc/27/94/60/331279460.db2.gz YAPUQJLSSROXML-QGZVFWFLSA-N 2 1 286.463 3.728 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CCc2cccc(Cl)c2)C1 ZINC000459425980 331280801 /nfs/dbraw/zinc/28/08/01/331280801.db2.gz LOLCHJOQDDFSIH-MRXNPFEDSA-N 2 1 294.870 3.593 20 0 CHADMP C[C@H](CC[NH2+]C1CC[NH+](C2CC2)CC1)CC(C)(C)C ZINC000459505932 331285291 /nfs/dbraw/zinc/28/52/91/331285291.db2.gz JELRLIYYBFODQS-CQSZACIVSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000459702277 331295100 /nfs/dbraw/zinc/29/51/00/331295100.db2.gz NOWRKGJRVVIUDP-RBUKOAKNSA-N 2 1 297.446 3.850 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000459702277 331295101 /nfs/dbraw/zinc/29/51/01/331295101.db2.gz NOWRKGJRVVIUDP-RBUKOAKNSA-N 2 1 297.446 3.850 20 0 CHADMP CCSc1cccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000459732334 331296502 /nfs/dbraw/zinc/29/65/02/331296502.db2.gz FTFOVOXZISRBPN-HNNXBMFYSA-N 2 1 292.492 3.620 20 0 CHADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459774535 331300123 /nfs/dbraw/zinc/30/01/23/331300123.db2.gz JBRAXFKHFUSKDF-GJZGRUSLSA-N 2 1 294.870 3.593 20 0 CHADMP CC[C@H]([NH2+]CCC[NH+](CC)CC)c1cccc(F)c1 ZINC000166407241 331307114 /nfs/dbraw/zinc/30/71/14/331307114.db2.gz ZBLZXXIOXBPEJK-INIZCTEOSA-N 2 1 266.404 3.598 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC000464782686 331368006 /nfs/dbraw/zinc/36/80/06/331368006.db2.gz ZJYJLQVIPPHSCT-QGZVFWFLSA-N 2 1 266.473 3.621 20 0 CHADMP C[C@@H]1CCC[C@H](CC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000464888496 331372718 /nfs/dbraw/zinc/37/27/18/331372718.db2.gz FBFLSVFPCBQXHV-QBPKDAKJSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@@H]1CCC[C@H](CC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000464888496 331372719 /nfs/dbraw/zinc/37/27/19/331372719.db2.gz FBFLSVFPCBQXHV-QBPKDAKJSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@@H]1CCC[C@H](CC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000464888496 331372720 /nfs/dbraw/zinc/37/27/20/331372720.db2.gz FBFLSVFPCBQXHV-QBPKDAKJSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@@H]1CCC[C@H](CC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000464888496 331372721 /nfs/dbraw/zinc/37/27/21/331372721.db2.gz FBFLSVFPCBQXHV-QBPKDAKJSA-N 2 1 266.473 3.617 20 0 CHADMP CC(C)C1CC([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000488432932 332007804 /nfs/dbraw/zinc/00/78/04/332007804.db2.gz QKIIWKFSICPHSD-OQSMONGASA-N 2 1 280.500 3.769 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)[C@@H]2C)CC1 ZINC000494924920 332491863 /nfs/dbraw/zinc/49/18/63/332491863.db2.gz VWZYXXKEGSVFMW-JTDSTZFVSA-N 2 1 286.463 3.594 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCc2c1cccc2F ZINC000252120292 334374258 /nfs/dbraw/zinc/37/42/58/334374258.db2.gz JGCYVWNBBPNGNX-KSSFIOAISA-N 2 1 290.426 3.667 20 0 CHADMP C1=CC[C@@H](C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000513411453 333018045 /nfs/dbraw/zinc/01/80/45/333018045.db2.gz MWUHPMQRYQESRL-RTBURBONSA-N 2 1 290.495 3.931 20 0 CHADMP CC(C)CC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309691414 333047468 /nfs/dbraw/zinc/04/74/68/333047468.db2.gz CYQFNLWNMVJARZ-IEBWSBKVSA-N 2 1 288.479 3.923 20 0 CHADMP CCC(CC)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309759388 333048972 /nfs/dbraw/zinc/04/89/72/333048972.db2.gz CQCQKKBNDKBEIT-VQIMIIECSA-N 2 1 288.479 3.923 20 0 CHADMP C[C@@H]([NH2+][C@H]1C[C@@H](C)[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309784209 333049383 /nfs/dbraw/zinc/04/93/83/333049383.db2.gz MDIXULVSYYUSTG-RFLLJTPXSA-N 2 1 286.463 3.531 20 0 CHADMP CC(C)C[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309881043 333050947 /nfs/dbraw/zinc/05/09/47/333050947.db2.gz WAAMVWXADDADEH-LNLFQRSKSA-N 2 1 288.479 3.921 20 0 CHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2Cl)C1 ZINC000177243819 333055831 /nfs/dbraw/zinc/05/58/31/333055831.db2.gz YIXQTRNJUJTYQA-KBPBESRZSA-N 2 1 280.843 3.723 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2Cl)C1 ZINC000177243819 333055832 /nfs/dbraw/zinc/05/58/32/333055832.db2.gz YIXQTRNJUJTYQA-KBPBESRZSA-N 2 1 280.843 3.723 20 0 CHADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000513964840 333055862 /nfs/dbraw/zinc/05/58/62/333055862.db2.gz OYLCKNCYGRQGOT-QGZVFWFLSA-N 2 1 278.415 3.695 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000513964840 333055863 /nfs/dbraw/zinc/05/58/63/333055863.db2.gz OYLCKNCYGRQGOT-QGZVFWFLSA-N 2 1 278.415 3.695 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000311426214 333068303 /nfs/dbraw/zinc/06/83/03/333068303.db2.gz BPWGYRQDKCCFOB-FMKPAKJESA-N 2 1 266.473 3.521 20 0 CHADMP Cc1cncc([C@@H](C)[NH2+]CCC[N@H+](C)C2CCCCC2)c1 ZINC000184265624 333126279 /nfs/dbraw/zinc/12/62/79/333126279.db2.gz OYSKGOATIQIUJK-MRXNPFEDSA-N 2 1 289.467 3.695 20 0 CHADMP Cc1cncc([C@@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)c1 ZINC000184265624 333126280 /nfs/dbraw/zinc/12/62/80/333126280.db2.gz OYSKGOATIQIUJK-MRXNPFEDSA-N 2 1 289.467 3.695 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCC1=CCCCCC1 ZINC000184576431 333130059 /nfs/dbraw/zinc/13/00/59/333130059.db2.gz JJHWJNIMNXRBAF-BFYDXBDKSA-N 2 1 264.457 3.585 20 0 CHADMP C[C@H](CCC1CC1)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000186498758 333161995 /nfs/dbraw/zinc/16/19/95/333161995.db2.gz GQYDRUHKGQBFHQ-HLLBOEOZSA-N 2 1 278.484 3.808 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2CCC3(CCCCC3)CC2)CC[N@@H+]1C ZINC000188805840 333174112 /nfs/dbraw/zinc/17/41/12/333174112.db2.gz QZTZDIKXPMRTFX-DOTOQJQBSA-N 2 1 278.484 3.952 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2CCC3(CCCCC3)CC2)CC[N@H+]1C ZINC000188805840 333174115 /nfs/dbraw/zinc/17/41/15/333174115.db2.gz QZTZDIKXPMRTFX-DOTOQJQBSA-N 2 1 278.484 3.952 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000223024014 333203522 /nfs/dbraw/zinc/20/35/22/333203522.db2.gz LOVNKMJEBXEVOL-KRWDZBQOSA-N 2 1 278.415 3.597 20 0 CHADMP CCc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)s1 ZINC000225121970 333231350 /nfs/dbraw/zinc/23/13/50/333231350.db2.gz GVLAUAWCHDDBDY-JKSUJKDBSA-N 2 1 272.417 3.545 20 0 CHADMP C[C@H](CCC1CC1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192921556 333240339 /nfs/dbraw/zinc/24/03/39/333240339.db2.gz HTKNUBKLKSECEQ-VQIMIIECSA-N 2 1 286.463 3.677 20 0 CHADMP [NH3+]CCC[N@H+](Cc1cc(Cl)cs1)Cc1ccccc1 ZINC000230003104 333312213 /nfs/dbraw/zinc/31/22/13/333312213.db2.gz SPMGNKSPWSWARI-UHFFFAOYSA-N 2 1 294.851 3.753 20 0 CHADMP [NH3+]CCC[N@@H+](Cc1cc(Cl)cs1)Cc1ccccc1 ZINC000230003104 333312215 /nfs/dbraw/zinc/31/22/15/333312215.db2.gz SPMGNKSPWSWARI-UHFFFAOYSA-N 2 1 294.851 3.753 20 0 CHADMP C[C@H]1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000230406224 333317593 /nfs/dbraw/zinc/31/75/93/333317593.db2.gz OIQVJKOUFZAEPK-FUHWJXTLSA-N 2 1 286.463 3.677 20 0 CHADMP CC(C)C[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000230769029 333321620 /nfs/dbraw/zinc/32/16/20/333321620.db2.gz IBUHEJKXBBFAES-NVXWUHKLSA-N 2 1 278.484 3.808 20 0 CHADMP CC(C)[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000232741451 333341953 /nfs/dbraw/zinc/34/19/53/333341953.db2.gz YOYIZFFLNFJORF-IBGZPJMESA-N 2 1 286.463 3.643 20 0 CHADMP C[N@@H+](CCC[NH2+]C/C=C/c1ccccc1)Cc1ccccc1 ZINC000237076893 333377330 /nfs/dbraw/zinc/37/73/30/333377330.db2.gz HZICWBHWPTUFMW-RIYZIHGNSA-N 2 1 294.442 3.812 20 0 CHADMP C[N@H+](Cc1ccc2ccccc2c1)C[C@@H]1CCC[NH+](C)C1 ZINC000524970867 333394342 /nfs/dbraw/zinc/39/43/42/333394342.db2.gz CBEIWGUROZEONH-QGZVFWFLSA-N 2 1 282.431 3.613 20 0 CHADMP C[NH+](Cc1ccc2ccccc2c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000524970867 333394343 /nfs/dbraw/zinc/39/43/43/333394343.db2.gz CBEIWGUROZEONH-QGZVFWFLSA-N 2 1 282.431 3.613 20 0 CHADMP C[NH+](Cc1ccc2ccccc2c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000524970867 333394345 /nfs/dbraw/zinc/39/43/45/333394345.db2.gz CBEIWGUROZEONH-QGZVFWFLSA-N 2 1 282.431 3.613 20 0 CHADMP C(=C/c1ccccc1)\C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173879358 335142730 /nfs/dbraw/zinc/14/27/30/335142730.db2.gz XVTBIBJXGIJUQH-QPGLYAHGSA-N 2 1 284.447 3.508 20 0 CHADMP C(=C/c1ccccc1)\C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173879358 335142731 /nfs/dbraw/zinc/14/27/31/335142731.db2.gz XVTBIBJXGIJUQH-QPGLYAHGSA-N 2 1 284.447 3.508 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccccc1C)C(C)(C)C ZINC000539358595 333667335 /nfs/dbraw/zinc/66/73/35/333667335.db2.gz VCAYVIYYSALGMR-QGZVFWFLSA-N 2 1 285.435 3.877 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@@H](c1ccc(C)o1)C1CCC1 ZINC000544578938 333937546 /nfs/dbraw/zinc/93/75/46/333937546.db2.gz JUEAHFCKRQHXRH-QGZVFWFLSA-N 2 1 278.440 3.751 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc2c(c1)CCCC2 ZINC000546936298 334056560 /nfs/dbraw/zinc/05/65/60/334056560.db2.gz ZJUDOBWAPLXPON-HNAYVOBHSA-N 2 1 286.463 3.700 20 0 CHADMP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000564318908 334083787 /nfs/dbraw/zinc/08/37/87/334083787.db2.gz LRSUCJQEEYJEIQ-OKZBNKHCSA-N 2 1 280.500 3.911 20 0 CHADMP C[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)[C@H]2CCCC[C@@H]12 ZINC000547737602 334113526 /nfs/dbraw/zinc/11/35/26/334113526.db2.gz ZZKPMJSVJIYBRL-SQNIBIBYSA-N 2 1 278.484 3.763 20 0 CHADMP C[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)[C@H]2CCCC[C@@H]12 ZINC000547737602 334113527 /nfs/dbraw/zinc/11/35/27/334113527.db2.gz ZZKPMJSVJIYBRL-SQNIBIBYSA-N 2 1 278.484 3.763 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000548884514 334179004 /nfs/dbraw/zinc/17/90/04/334179004.db2.gz QGRVGXVFOKEJIT-ZKIDJSGLSA-N 2 1 298.474 3.818 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC000548884514 334179005 /nfs/dbraw/zinc/17/90/05/334179005.db2.gz QGRVGXVFOKEJIT-ZKIDJSGLSA-N 2 1 298.474 3.818 20 0 CHADMP CC[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)[NH+]1CCCC1 ZINC000549143942 334186498 /nfs/dbraw/zinc/18/64/98/334186498.db2.gz UGFNAUOMXOPDBD-WNHJNPCNSA-N 2 1 286.463 3.643 20 0 CHADMP CC(C)CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)C1CC1 ZINC000549228202 334188216 /nfs/dbraw/zinc/18/82/16/334188216.db2.gz HMCGCEVBCWIFBT-FUHWJXTLSA-N 2 1 280.500 3.911 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CCN([C@H](CC)c2ccc(F)cc2)C1 ZINC000245429758 334192541 /nfs/dbraw/zinc/19/25/41/334192541.db2.gz NGWBJZOKEICMTD-MAUKXSAKSA-N 2 1 292.442 3.941 20 0 CHADMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](CC)c2ccc(F)cc2)C1 ZINC000245429758 334192542 /nfs/dbraw/zinc/19/25/42/334192542.db2.gz NGWBJZOKEICMTD-MAUKXSAKSA-N 2 1 292.442 3.941 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](CC)c2ccc(F)cc2)C1 ZINC000245429758 334192543 /nfs/dbraw/zinc/19/25/43/334192543.db2.gz NGWBJZOKEICMTD-MAUKXSAKSA-N 2 1 292.442 3.941 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](CC)c2ccc(F)cc2)C1 ZINC000245429758 334192545 /nfs/dbraw/zinc/19/25/45/334192545.db2.gz NGWBJZOKEICMTD-MAUKXSAKSA-N 2 1 292.442 3.941 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](CC)c2ccc(F)cc2)C1 ZINC000245429758 334192546 /nfs/dbraw/zinc/19/25/46/334192546.db2.gz NGWBJZOKEICMTD-MAUKXSAKSA-N 2 1 292.442 3.941 20 0 CHADMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC000245446454 334194009 /nfs/dbraw/zinc/19/40/09/334194009.db2.gz ZWBCRAFCWAOHKI-CABCVRRESA-N 2 1 278.415 3.550 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC000245446454 334194010 /nfs/dbraw/zinc/19/40/10/334194010.db2.gz ZWBCRAFCWAOHKI-CABCVRRESA-N 2 1 278.415 3.550 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC000245446454 334194011 /nfs/dbraw/zinc/19/40/11/334194011.db2.gz ZWBCRAFCWAOHKI-CABCVRRESA-N 2 1 278.415 3.550 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC000245446454 334194012 /nfs/dbraw/zinc/19/40/12/334194012.db2.gz ZWBCRAFCWAOHKI-CABCVRRESA-N 2 1 278.415 3.550 20 0 CHADMP CC[C@H](C)C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000245548107 334202725 /nfs/dbraw/zinc/20/27/25/334202725.db2.gz YEGPFYISRPZPOJ-OFQRWUPVSA-N 2 1 280.481 3.767 20 0 CHADMP CC[C@H](C)C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000245548107 334202727 /nfs/dbraw/zinc/20/27/27/334202727.db2.gz YEGPFYISRPZPOJ-OFQRWUPVSA-N 2 1 280.481 3.767 20 0 CHADMP CC(C)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245643726 334209792 /nfs/dbraw/zinc/20/97/92/334209792.db2.gz BFAKHXARESKHES-LDLYASANSA-N 2 1 286.463 3.818 20 0 CHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)CC1 ZINC000550199908 334215770 /nfs/dbraw/zinc/21/57/70/334215770.db2.gz WYTBRWQHGJFIFX-MRXNPFEDSA-N 2 1 292.854 3.504 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245809257 334220363 /nfs/dbraw/zinc/22/03/63/334220363.db2.gz ZBSFMCDHEHHQPS-HOCLYGCPSA-N 2 1 294.870 3.871 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245809257 334220365 /nfs/dbraw/zinc/22/03/65/334220365.db2.gz ZBSFMCDHEHHQPS-HOCLYGCPSA-N 2 1 294.870 3.871 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245809257 334220367 /nfs/dbraw/zinc/22/03/67/334220367.db2.gz ZBSFMCDHEHHQPS-HOCLYGCPSA-N 2 1 294.870 3.871 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245809257 334220369 /nfs/dbraw/zinc/22/03/69/334220369.db2.gz ZBSFMCDHEHHQPS-HOCLYGCPSA-N 2 1 294.870 3.871 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC2(C)C)C[C@H]1c1ccccc1 ZINC000550680204 334226696 /nfs/dbraw/zinc/22/66/96/334226696.db2.gz JDLZLDJRHYLNSA-OKZBNKHCSA-N 2 1 286.463 3.990 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC2(C)C)C[C@H]1c1ccccc1 ZINC000550680204 334226697 /nfs/dbraw/zinc/22/66/97/334226697.db2.gz JDLZLDJRHYLNSA-OKZBNKHCSA-N 2 1 286.463 3.990 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCC(C)(C)C2)C[C@H]1c1ccccc1 ZINC000550702694 334227407 /nfs/dbraw/zinc/22/74/07/334227407.db2.gz AHWIUZLCBYKOBH-BZSNNMDCSA-N 2 1 286.463 3.990 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCC(C)(C)C2)C[C@H]1c1ccccc1 ZINC000550702694 334227409 /nfs/dbraw/zinc/22/74/09/334227409.db2.gz AHWIUZLCBYKOBH-BZSNNMDCSA-N 2 1 286.463 3.990 20 0 CHADMP CC1=CC[C@H]([NH2+]C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000550893553 334232285 /nfs/dbraw/zinc/23/22/85/334232285.db2.gz ZIAPPEGSRVDUEK-DLBZAZTESA-N 2 1 264.457 3.585 20 0 CHADMP CC1=CC[C@H]([NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000550893555 334232327 /nfs/dbraw/zinc/23/23/27/334232327.db2.gz ZIAPPEGSRVDUEK-IRXDYDNUSA-N 2 1 264.457 3.585 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2c3ccccc3C[C@H]2C)C1 ZINC000247059366 334274604 /nfs/dbraw/zinc/27/46/04/334274604.db2.gz PMMKVJYJQKVAGS-MDZRGWNJSA-N 2 1 286.463 3.630 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2cccc(C)c2)[C@@H](C)C1 ZINC000247082094 334275509 /nfs/dbraw/zinc/27/55/09/334275509.db2.gz QYNXNGBZDWEYGR-FUHWJXTLSA-N 2 1 288.479 3.593 20 0 CHADMP C(C1CCCCC1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246447338 334257898 /nfs/dbraw/zinc/25/78/98/334257898.db2.gz DQADZARDUDACJO-WMZOPIPTSA-N 2 1 276.468 3.515 20 0 CHADMP C(C1CCCCC1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246447338 334257901 /nfs/dbraw/zinc/25/79/01/334257901.db2.gz DQADZARDUDACJO-WMZOPIPTSA-N 2 1 276.468 3.515 20 0 CHADMP C(C1CCCCC1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246447338 334257902 /nfs/dbraw/zinc/25/79/02/334257902.db2.gz DQADZARDUDACJO-WMZOPIPTSA-N 2 1 276.468 3.515 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C(C)(C)C ZINC000247201942 334277387 /nfs/dbraw/zinc/27/73/87/334277387.db2.gz WIMCODQLABTLLZ-LSDHHAIUSA-N 2 1 254.462 3.665 20 0 CHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000248397591 334300103 /nfs/dbraw/zinc/30/01/03/334300103.db2.gz ICVXLZSOBBQCCT-BQFCYCMXSA-N 2 1 286.463 3.990 20 0 CHADMP CCC[N@H+]1CC[C@@H](CN[C@H](C)c2csc(Cl)c2)C1 ZINC000248692023 334313671 /nfs/dbraw/zinc/31/36/71/334313671.db2.gz JLZJLIOQMWULTP-NEPJUHHUSA-N 2 1 286.872 3.784 20 0 CHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2csc(Cl)c2)C1 ZINC000248692023 334313672 /nfs/dbraw/zinc/31/36/72/334313672.db2.gz JLZJLIOQMWULTP-NEPJUHHUSA-N 2 1 286.872 3.784 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2csc(Cl)c2)C1 ZINC000248692023 334313674 /nfs/dbraw/zinc/31/36/74/334313674.db2.gz JLZJLIOQMWULTP-NEPJUHHUSA-N 2 1 286.872 3.784 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2c3ccccc3CCC[C@H]2C)CC[N@@H+]1C ZINC000248750864 334316017 /nfs/dbraw/zinc/31/60/17/334316017.db2.gz FVEWWYUAQRGRLI-IIHSZXCVSA-N 2 1 286.463 3.772 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2c3ccccc3CCC[C@H]2C)CC[N@H+]1C ZINC000248750864 334316018 /nfs/dbraw/zinc/31/60/18/334316018.db2.gz FVEWWYUAQRGRLI-IIHSZXCVSA-N 2 1 286.463 3.772 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CCC2=CCCCCC2)[C@@H](C)C1 ZINC000248758695 334316505 /nfs/dbraw/zinc/31/65/05/334316505.db2.gz VPBCJWIWSSZWSA-RDJZCZTQSA-N 2 1 264.457 3.587 20 0 CHADMP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000248872577 334320133 /nfs/dbraw/zinc/32/01/33/334320133.db2.gz IHOHAGBELLCCMW-ZFWWWQNUSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Cl ZINC000248872577 334320134 /nfs/dbraw/zinc/32/01/34/334320134.db2.gz IHOHAGBELLCCMW-ZFWWWQNUSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1Cl ZINC000248872577 334320135 /nfs/dbraw/zinc/32/01/35/334320135.db2.gz IHOHAGBELLCCMW-ZFWWWQNUSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1Cl ZINC000248872577 334320136 /nfs/dbraw/zinc/32/01/36/334320136.db2.gz IHOHAGBELLCCMW-ZFWWWQNUSA-N 2 1 280.843 3.563 20 0 CHADMP C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000249086902 334327031 /nfs/dbraw/zinc/32/70/31/334327031.db2.gz JCFBJZKGPWRUQG-BHIYHBOVSA-N 2 1 286.463 3.677 20 0 CHADMP c1ccc(C[C@@H]2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000249144204 334329108 /nfs/dbraw/zinc/32/91/08/334329108.db2.gz WWCLITQMCIRGLJ-MUGJNUQGSA-N 2 1 298.474 3.614 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CC[C@H](C)c2ccccc2)C1 ZINC000250517289 334345546 /nfs/dbraw/zinc/34/55/46/334345546.db2.gz RBZPSXXIIVDTMZ-IRXDYDNUSA-N 2 1 274.452 3.500 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)C1 ZINC000250607118 334347041 /nfs/dbraw/zinc/34/70/41/334347041.db2.gz LOBWDUYAABQIDW-NZSAHSFTSA-N 2 1 286.463 3.644 20 0 CHADMP CC(C)(C)[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000250695674 334348761 /nfs/dbraw/zinc/34/87/61/334348761.db2.gz LXFPMWHMQPAMNU-OKZBNKHCSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(Cl)c1 ZINC000250891241 334352888 /nfs/dbraw/zinc/35/28/88/334352888.db2.gz DOHVFYWEYFGBMT-MAZHCROVSA-N 2 1 278.827 3.617 20 0 CHADMP Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1C ZINC000251087393 334356150 /nfs/dbraw/zinc/35/61/50/334356150.db2.gz YPHOIXGKOZGCRR-KSZLIROESA-N 2 1 286.463 3.889 20 0 CHADMP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000251147319 334357094 /nfs/dbraw/zinc/35/70/94/334357094.db2.gz GFFPHVZCJPIYDD-ULQDDVLXSA-N 2 1 272.436 3.581 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000251524156 334363178 /nfs/dbraw/zinc/36/31/78/334363178.db2.gz LMYSFUCRDQYIPX-ZIAGYGMSSA-N 2 1 280.843 3.723 20 0 CHADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000251918755 334372087 /nfs/dbraw/zinc/37/20/87/334372087.db2.gz XTZFYPMPALEZND-JKIFEVAISA-N 2 1 260.425 3.540 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](CC(C)C)c2ccccc2)C1 ZINC000252438744 334380240 /nfs/dbraw/zinc/38/02/40/334380240.db2.gz FZZYYOODDSSKCO-SJLPKXTDSA-N 2 1 274.452 3.705 20 0 CHADMP CC(C)(C)C1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000252673756 334384826 /nfs/dbraw/zinc/38/48/26/334384826.db2.gz LZTKVVINMWYDFB-GQGLESIBSA-N 2 1 278.484 3.808 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000567648354 334746018 /nfs/dbraw/zinc/74/60/18/334746018.db2.gz CKYGPOCEXONALB-BHYGNILZSA-N 2 1 295.430 3.556 20 0 CHADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000568997847 334850239 /nfs/dbraw/zinc/85/02/39/334850239.db2.gz ZPZAQKHOQSPIAW-CQSZACIVSA-N 2 1 297.402 3.758 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000164629668 334884207 /nfs/dbraw/zinc/88/42/07/334884207.db2.gz VPURAMYAAUPNPH-SJORKVTESA-N 2 1 277.456 3.776 20 0 CHADMP CC1CCC([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000576398164 335198614 /nfs/dbraw/zinc/19/86/14/335198614.db2.gz UAAZRSHZIJDJKF-ZTOOSOLZSA-N 2 1 280.500 3.913 20 0 CHADMP CCC[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000576464811 335207077 /nfs/dbraw/zinc/20/70/77/335207077.db2.gz QNRNHEVIWPXEIQ-AKBNIOSXSA-N 2 1 264.457 3.560 20 0 CHADMP CC1(C)CC(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000576576119 335220510 /nfs/dbraw/zinc/22/05/10/335220510.db2.gz KLTWAVXQKVNFBL-IRXDYDNUSA-N 2 1 272.436 3.506 20 0 CHADMP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000576692827 335235229 /nfs/dbraw/zinc/23/52/29/335235229.db2.gz LEINXIPPGXMXGV-OALUTQOASA-N 2 1 288.479 3.718 20 0 CHADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000576777471 335247088 /nfs/dbraw/zinc/24/70/88/335247088.db2.gz RYEPYFXXZDPPFA-AITUJVMLSA-N 2 1 286.463 3.818 20 0 CHADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000576777471 335247090 /nfs/dbraw/zinc/24/70/90/335247090.db2.gz RYEPYFXXZDPPFA-AITUJVMLSA-N 2 1 286.463 3.818 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000577077947 335296465 /nfs/dbraw/zinc/29/64/65/335296465.db2.gz PPGKVYLFJGUHGH-INIZCTEOSA-N 2 1 277.456 3.920 20 0 CHADMP C[C@H](CC[NH2+][C@H]1CCCc2occc21)[NH+]1CCCCC1 ZINC000193281531 335297686 /nfs/dbraw/zinc/29/76/86/335297686.db2.gz SENRIIZIXHDQRH-ZBFHGGJFSA-N 2 1 276.424 3.511 20 0 CHADMP CC[C@@H](C[N@@H+](CC)CCCc1cncn1C)c1ccccc1 ZINC000577741859 335395219 /nfs/dbraw/zinc/39/52/19/335395219.db2.gz IOKKJNVDOMMBQU-KRWDZBQOSA-N 2 1 299.462 3.868 20 0 CHADMP CC[C@@H](C[N@H+](CC)CCCc1c[nH+]cn1C)c1ccccc1 ZINC000577741859 335395221 /nfs/dbraw/zinc/39/52/21/335395221.db2.gz IOKKJNVDOMMBQU-KRWDZBQOSA-N 2 1 299.462 3.868 20 0 CHADMP CC[C@@H](C[N@@H+](CC)CCCc1c[nH+]cn1C)c1ccccc1 ZINC000577741859 335395222 /nfs/dbraw/zinc/39/52/22/335395222.db2.gz IOKKJNVDOMMBQU-KRWDZBQOSA-N 2 1 299.462 3.868 20 0 CHADMP C[C@H](CC[NH2+][C@H](C)c1ccsc1)[NH+]1CCCCC1 ZINC000184501852 335927426 /nfs/dbraw/zinc/92/74/26/335927426.db2.gz IYUBWXPFCPJELF-ZIAGYGMSSA-N 2 1 266.454 3.663 20 0 CHADMP CC[C@@H](C)[NH+]1CCCC2(CCC[N@H+]([C@H](C)CC)C2)C1 ZINC000581280375 336036208 /nfs/dbraw/zinc/03/62/08/336036208.db2.gz AFPWMKHIULPSAB-YNPPLXCJSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@H]([NH2+]CCC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382026438 336080415 /nfs/dbraw/zinc/08/04/15/336080415.db2.gz BECWBZCYIYVQNO-FUHWJXTLSA-N 2 1 288.479 3.923 20 0 CHADMP Cc1cc[nH+]c(N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000382050448 336080886 /nfs/dbraw/zinc/08/08/86/336080886.db2.gz MNZDFXUZNVSEDI-FUHWJXTLSA-N 2 1 295.430 3.713 20 0 CHADMP Cc1cc[nH+]c(N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000382050448 336080887 /nfs/dbraw/zinc/08/08/87/336080887.db2.gz MNZDFXUZNVSEDI-FUHWJXTLSA-N 2 1 295.430 3.713 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@@H](CC)c2ccsc2)CC1 ZINC000382082523 336081479 /nfs/dbraw/zinc/08/14/79/336081479.db2.gz FPKNPZNQJCMLAZ-HNNXBMFYSA-N 2 1 266.454 3.663 20 0 CHADMP Cc1cccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1F ZINC000384505126 336125077 /nfs/dbraw/zinc/12/50/77/336125077.db2.gz QVJZAXFKSOPFMF-UHFFFAOYSA-N 2 1 278.415 3.533 20 0 CHADMP CC(C)CC[C@@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C1CC1 ZINC000386407719 336172389 /nfs/dbraw/zinc/17/23/89/336172389.db2.gz XNGNCDUMTVEOGL-GOEBONIOSA-N 2 1 254.462 3.520 20 0 CHADMP CC(C)CC[C@@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1CC1 ZINC000386407719 336172391 /nfs/dbraw/zinc/17/23/91/336172391.db2.gz XNGNCDUMTVEOGL-GOEBONIOSA-N 2 1 254.462 3.520 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc2c(c1)CCCC2 ZINC000387398966 336193435 /nfs/dbraw/zinc/19/34/35/336193435.db2.gz YDUBVAJDMWOHFF-PHHCVGHBSA-N 2 1 298.474 3.841 20 0 CHADMP CC(C)[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](C)CC2)c2ccccc21 ZINC000280241464 519804975 /nfs/dbraw/zinc/80/49/75/519804975.db2.gz YJCXZGFMUBQMOZ-KXBFYZLASA-N 2 1 286.463 3.597 20 0 CHADMP CC(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)c2ccccc21 ZINC000278271288 519805789 /nfs/dbraw/zinc/80/57/89/519805789.db2.gz PBJYYZSHVWNOSN-ROUUACIJSA-N 2 1 272.436 3.555 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000161608416 519847237 /nfs/dbraw/zinc/84/72/37/519847237.db2.gz UBKTWMBNCPVCPU-INIZCTEOSA-N 2 1 290.451 3.757 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000275782138 521581929 /nfs/dbraw/zinc/58/19/29/521581929.db2.gz XFNUFKKFCHDGMS-RBUKOAKNSA-N 2 1 286.463 3.571 20 0 CHADMP CCSCCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340380002 521706032 /nfs/dbraw/zinc/70/60/32/521706032.db2.gz BGQHFTMLSTZXIN-IRXDYDNUSA-N 2 1 292.492 3.555 20 0 CHADMP CCSCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340380002 521706034 /nfs/dbraw/zinc/70/60/34/521706034.db2.gz BGQHFTMLSTZXIN-IRXDYDNUSA-N 2 1 292.492 3.555 20 0 CHADMP CC[C@H](CSC)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340314514 522287582 /nfs/dbraw/zinc/28/75/82/522287582.db2.gz DHPYKELGOSNNIU-IKGGRYGDSA-N 2 1 292.492 3.553 20 0 CHADMP CC[C@H](CSC)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340314514 522287594 /nfs/dbraw/zinc/28/75/94/522287594.db2.gz DHPYKELGOSNNIU-IKGGRYGDSA-N 2 1 292.492 3.553 20 0 CHADMP CC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000157435882 522762248 /nfs/dbraw/zinc/76/22/48/522762248.db2.gz IXPJAADLKYITRS-BZSNNMDCSA-N 2 1 266.388 3.872 20 0 CHADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(C)cc1 ZINC000037141022 522811124 /nfs/dbraw/zinc/81/11/24/522811124.db2.gz RRRZYKUPHXOUPR-GOSISDBHSA-N 2 1 272.436 3.663 20 0 CHADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226327077 523088225 /nfs/dbraw/zinc/08/82/25/523088225.db2.gz WCMJQMZPEYFBNW-BBRMVZONSA-N 2 1 280.843 3.852 20 0 CHADMP Cc1cccc(CC[C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000040500727 524365100 /nfs/dbraw/zinc/36/51/00/524365100.db2.gz YRZSDEKGNDLDEJ-MRXNPFEDSA-N 2 1 286.463 3.533 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(F)c(F)c1 ZINC000037786254 525293118 /nfs/dbraw/zinc/29/31/18/525293118.db2.gz PIFLFGIRJAZODF-LBPRGKRZSA-N 2 1 296.405 3.878 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCC23CCC3)C1 ZINC000337382065 525381124 /nfs/dbraw/zinc/38/11/24/525381124.db2.gz FEOKBEKAZYVNFW-IXDOHACOSA-N 2 1 278.484 3.667 20 0 CHADMP C[C@@H]([NH2+]C/C=C/c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000299105764 525392369 /nfs/dbraw/zinc/39/23/69/525392369.db2.gz VCMVFYMPGZATAM-UXYGNLPZSA-N 2 1 298.474 3.942 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccsc1 ZINC000050344076 525401698 /nfs/dbraw/zinc/40/16/98/525401698.db2.gz CKSLWWNVDDHWEH-GFCCVEGCSA-N 2 1 266.454 3.662 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc2ccccc2o1 ZINC000037649216 525502983 /nfs/dbraw/zinc/50/29/83/525502983.db2.gz YEVPIGLQYVWGMM-ZIAGYGMSSA-N 2 1 284.403 3.568 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc2ccccc2o1 ZINC000037649216 525502989 /nfs/dbraw/zinc/50/29/89/525502989.db2.gz YEVPIGLQYVWGMM-ZIAGYGMSSA-N 2 1 284.403 3.568 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc2ccccc21 ZINC000093978073 525567398 /nfs/dbraw/zinc/56/73/98/525567398.db2.gz PREAVEQNOPUMDS-YQQAZPJKSA-N 2 1 282.431 3.973 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc2ccccc21 ZINC000093978073 525567405 /nfs/dbraw/zinc/56/74/05/525567405.db2.gz PREAVEQNOPUMDS-YQQAZPJKSA-N 2 1 282.431 3.973 20 0 CHADMP Cc1ccsc1[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000070981946 525868113 /nfs/dbraw/zinc/86/81/13/525868113.db2.gz FSCJGYRGNMCSPE-CYBMUJFWSA-N 2 1 266.454 3.580 20 0 CHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccco2)cc1 ZINC000069681804 526251544 /nfs/dbraw/zinc/25/15/44/526251544.db2.gz PVWWINKEEUEDNQ-INIZCTEOSA-N 2 1 298.430 3.944 20 0 CHADMP c1c2ccccc2sc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000130840663 526403741 /nfs/dbraw/zinc/40/37/41/526403741.db2.gz SQZZWROKLHQWRE-UHFFFAOYSA-N 2 1 286.444 3.618 20 0 CHADMP c1cc2c(cccc2C[NH+]2CCC([NH+]3CCCCC3)CC2)[nH]1 ZINC000271021514 526439437 /nfs/dbraw/zinc/43/94/37/526439437.db2.gz BFVJKMYVZXRCEK-UHFFFAOYSA-N 2 1 297.446 3.618 20 0 CHADMP c1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000278450926 526490972 /nfs/dbraw/zinc/49/09/72/526490972.db2.gz LLSWZHQRDQURBB-YDZRNGNQSA-N 2 1 284.447 3.539 20 0 CHADMP Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130230792 526966733 /nfs/dbraw/zinc/96/67/33/526966733.db2.gz AECZTRLHCMCOFI-UXLLHSPISA-N 2 1 290.838 3.544 20 0 CHADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCCc3sccc32)c2ccccc21 ZINC000157444399 527378251 /nfs/dbraw/zinc/37/82/51/527378251.db2.gz KIPFUDFGXIJTNK-OAGGEKHMSA-N 2 1 284.428 3.860 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000127283935 527414060 /nfs/dbraw/zinc/41/40/60/527414060.db2.gz SHKUVEOCHUUIMZ-QGZVFWFLSA-N 2 1 287.382 3.558 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000127283935 527414062 /nfs/dbraw/zinc/41/40/62/527414062.db2.gz SHKUVEOCHUUIMZ-QGZVFWFLSA-N 2 1 287.382 3.558 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000275468887 527422764 /nfs/dbraw/zinc/42/27/64/527422764.db2.gz INFSHEKVZIIBJZ-QZTJIDSGSA-N 2 1 283.419 3.508 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000280812703 527431938 /nfs/dbraw/zinc/43/19/38/527431938.db2.gz IEXFFBKENTUIHK-OLZOCXBDSA-N 2 1 291.826 3.627 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)sc2C)C[C@@H]1C ZINC000353748900 527755323 /nfs/dbraw/zinc/75/53/23/527755323.db2.gz STKXTXKKTVPCJQ-BLLLJJGKSA-N 2 1 280.481 3.670 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)sc2C)C[C@@H]1C ZINC000353748900 527755329 /nfs/dbraw/zinc/75/53/29/527755329.db2.gz STKXTXKKTVPCJQ-BLLLJJGKSA-N 2 1 280.481 3.670 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)sc2C)C[C@@H]1C ZINC000353748900 527755335 /nfs/dbraw/zinc/75/53/35/527755335.db2.gz STKXTXKKTVPCJQ-BLLLJJGKSA-N 2 1 280.481 3.670 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)sc2C)C[C@@H]1C ZINC000353748900 527755338 /nfs/dbraw/zinc/75/53/38/527755338.db2.gz STKXTXKKTVPCJQ-BLLLJJGKSA-N 2 1 280.481 3.670 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3occc3c2)[C@@H](C)C1 ZINC000347862865 527755869 /nfs/dbraw/zinc/75/58/69/527755869.db2.gz WVRFIPOJNSEWCG-WMLDXEAASA-N 2 1 286.419 3.595 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc3occc3c2)[C@@H](C)C1 ZINC000347862865 527755872 /nfs/dbraw/zinc/75/58/72/527755872.db2.gz WVRFIPOJNSEWCG-WMLDXEAASA-N 2 1 286.419 3.595 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc3occc3c2)[C@@H](C)C1 ZINC000347862865 527755875 /nfs/dbraw/zinc/75/58/75/527755875.db2.gz WVRFIPOJNSEWCG-WMLDXEAASA-N 2 1 286.419 3.595 20 0 CHADMP CCC1CCC(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000352752341 527832256 /nfs/dbraw/zinc/83/22/56/527832256.db2.gz XZYRAQVAXYNBPU-UHFFFAOYSA-N 2 1 295.496 3.511 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3occc3c2)[C@H](C)C1 ZINC000347862861 527835663 /nfs/dbraw/zinc/83/56/63/527835663.db2.gz WVRFIPOJNSEWCG-PBHICJAKSA-N 2 1 286.419 3.595 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3occc3c2)[C@H](C)C1 ZINC000347862861 527835669 /nfs/dbraw/zinc/83/56/69/527835669.db2.gz WVRFIPOJNSEWCG-PBHICJAKSA-N 2 1 286.419 3.595 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3occc3c2)[C@H](C)C1 ZINC000347862861 527835676 /nfs/dbraw/zinc/83/56/76/527835676.db2.gz WVRFIPOJNSEWCG-PBHICJAKSA-N 2 1 286.419 3.595 20 0 CHADMP CC(C)CC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccoc1 ZINC000353441479 527845798 /nfs/dbraw/zinc/84/57/98/527845798.db2.gz MVVOXAMUILNRBK-INIZCTEOSA-N 2 1 280.456 3.934 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)o1 ZINC000126803555 1125457329 /nfs/dbraw/zinc/45/73/29/1125457329.db2.gz GECMXYUESLGACI-AVOUXACISA-N 2 1 276.424 3.508 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)o1 ZINC000126803555 1125457333 /nfs/dbraw/zinc/45/73/33/1125457333.db2.gz GECMXYUESLGACI-AVOUXACISA-N 2 1 276.424 3.508 20 0 CHADMP CCCCc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)s1 ZINC001206772188 1117871752 /nfs/dbraw/zinc/87/17/52/1117871752.db2.gz ZAOVVUXBIUSOFV-KBPBESRZSA-N 2 1 280.481 3.650 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccs1 ZINC000624120261 1117985776 /nfs/dbraw/zinc/98/57/76/1117985776.db2.gz VACWZPVSPSLYFC-UONOGXRCSA-N 2 1 266.454 3.521 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000580301648 1118415499 /nfs/dbraw/zinc/41/54/99/1118415499.db2.gz FVQFOTWLVFZRSD-SNVBAGLBSA-N 2 1 272.795 3.647 20 0 CHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc2ncccc2c1 ZINC000130882289 1125485972 /nfs/dbraw/zinc/48/59/72/1125485972.db2.gz OENIJWXDCZOIQA-GOSISDBHSA-N 2 1 297.446 3.541 20 0 CHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc2ncccc2c1 ZINC000130882289 1125485973 /nfs/dbraw/zinc/48/59/73/1125485973.db2.gz OENIJWXDCZOIQA-GOSISDBHSA-N 2 1 297.446 3.541 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc2ncccc2c1 ZINC000130882289 1125485976 /nfs/dbraw/zinc/48/59/76/1125485976.db2.gz OENIJWXDCZOIQA-GOSISDBHSA-N 2 1 297.446 3.541 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc2ncccc2c1 ZINC000130882289 1125485981 /nfs/dbraw/zinc/48/59/81/1125485981.db2.gz OENIJWXDCZOIQA-GOSISDBHSA-N 2 1 297.446 3.541 20 0 CHADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@H]2CCCC[C@H]2C)C1 ZINC001648920960 1119606738 /nfs/dbraw/zinc/60/67/38/1119606738.db2.gz LHMWEDDWBALZEI-BRWVUGGUSA-N 2 1 280.500 3.913 20 0 CHADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@H]2CCCC[C@H]2C)C1 ZINC001648920960 1119606739 /nfs/dbraw/zinc/60/67/39/1119606739.db2.gz LHMWEDDWBALZEI-BRWVUGGUSA-N 2 1 280.500 3.913 20 0 CHADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000132116509 1125499715 /nfs/dbraw/zinc/49/97/15/1125499715.db2.gz XOKUYPKGLVAZCF-GFCCVEGCSA-N 2 1 297.512 3.813 20 0 CHADMP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000187711246 1120032504 /nfs/dbraw/zinc/03/25/04/1120032504.db2.gz SNJYAUDQMBSQGL-DZGCQCFKSA-N 2 1 266.454 3.521 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)C2CCC(F)(F)CC2)C1 ZINC000685455740 1120177591 /nfs/dbraw/zinc/17/75/91/1120177591.db2.gz ZMDNNSCJPUKUDJ-ZIAGYGMSSA-N 2 1 288.426 3.520 20 0 CHADMP CC[C@]1(C)CCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000651720135 1120723589 /nfs/dbraw/zinc/72/35/89/1120723589.db2.gz RBORZMUSFUCZGI-JKSUJKDBSA-N 2 1 263.429 3.530 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccsc1 ZINC000663467517 1120981675 /nfs/dbraw/zinc/98/16/75/1120981675.db2.gz GMECWRYQVVVXIJ-UKRRQHHQSA-N 2 1 278.465 3.521 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](CC)Cc1ccccc1 ZINC001182115414 1122110526 /nfs/dbraw/zinc/11/05/26/1122110526.db2.gz IMGLRLGUIKCQQO-SJLPKXTDSA-N 2 1 276.468 3.718 20 0 CHADMP C[NH+](CCCC1CCCC1)CC[C@H]1CCCC[N@H+]1C ZINC001191256073 1122584813 /nfs/dbraw/zinc/58/48/13/1122584813.db2.gz FFBIYFSUBSAEIE-QGZVFWFLSA-N 2 1 266.473 3.763 20 0 CHADMP CCCCC[C@H]([NH2+]CCn1cc[nH+]c1C)C(C)(C)C ZINC000776024988 1123041660 /nfs/dbraw/zinc/04/16/60/1123041660.db2.gz KKCSNNZSSYKZRJ-HNNXBMFYSA-N 2 1 265.445 3.776 20 0 CHADMP Cc1cccc([C@@H](C)[NH+]2CCC([NH2+]C(C)C)CC2)c1 ZINC000173309575 1123535459 /nfs/dbraw/zinc/53/54/59/1123535459.db2.gz QEQXSAQGFLARNC-OAHLLOKOSA-N 2 1 260.425 3.518 20 0 CHADMP CCC1(C)CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000339066221 1123919227 /nfs/dbraw/zinc/91/92/27/1123919227.db2.gz FVYDQQQNKMLTCV-VUROTCPHSA-N 2 1 264.457 3.562 20 0 CHADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246548797 1131601695 /nfs/dbraw/zinc/60/16/95/1131601695.db2.gz KCZGRAOILYQMKO-XHSDSOJGSA-N 2 1 272.452 3.744 20 0 CHADMP CC(C)(C)C1CCC([N@@H+]2CCCC[C@@](F)(C[NH3+])C2)CC1 ZINC001246580460 1131677644 /nfs/dbraw/zinc/67/76/44/1131677644.db2.gz MWGHBWWFJARRBH-VMBOVVBDSA-N 2 1 284.463 3.744 20 0 CHADMP CC(C)(C)C1CCC([N@H+]2CCCC[C@@](F)(C[NH3+])C2)CC1 ZINC001246580460 1131677646 /nfs/dbraw/zinc/67/76/46/1131677646.db2.gz MWGHBWWFJARRBH-VMBOVVBDSA-N 2 1 284.463 3.744 20 0 CHADMP CCCCC[C@H](CCC)[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001246693714 1131782412 /nfs/dbraw/zinc/78/24/12/1131782412.db2.gz QGRVIHYNLIELSU-BBWFWOEESA-N 2 1 284.463 3.759 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC001167039507 1133300442 /nfs/dbraw/zinc/30/04/42/1133300442.db2.gz ZXAUGNZUBILCIS-INIZCTEOSA-N 2 1 262.441 3.720 20 0 CHADMP CN1CCC([N@@H+](Cc2ccsc2)C2CCCC2)CC1 ZINC001204045248 1133403209 /nfs/dbraw/zinc/40/32/09/1133403209.db2.gz NMSABFPGSSSJPS-UHFFFAOYSA-N 2 1 278.465 3.587 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)ccc1Cl ZINC001206312097 1133687433 /nfs/dbraw/zinc/68/74/33/1133687433.db2.gz ZZCXAZXNUPWMPU-MRXNPFEDSA-N 2 1 280.843 3.599 20 0 CHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cscn1 ZINC000536624830 1125509968 /nfs/dbraw/zinc/50/99/68/1125509968.db2.gz KAEXYZOFEDJXAK-ZNMIVQPWSA-N 2 1 295.496 3.552 20 0 CHADMP CCCC1CCC([NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC001202682831 1125510305 /nfs/dbraw/zinc/51/03/05/1125510305.db2.gz GGFPCHQTBDEEDC-UHFFFAOYSA-N 2 1 266.473 3.809 20 0 CHADMP CC(C)[NH+](CC[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)C(C)C ZINC000251850137 1125516636 /nfs/dbraw/zinc/51/66/36/1125516636.db2.gz OXSJWDPFFSPECS-BZUAXINKSA-N 2 1 254.462 3.520 20 0 CHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C2CCC1CC2 ZINC000536633412 1125538606 /nfs/dbraw/zinc/53/86/06/1125538606.db2.gz IQCNEHKDZGVEID-UHFFFAOYSA-N 2 1 286.463 3.771 20 0 CHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C2CCC1CC2 ZINC000536633412 1125538610 /nfs/dbraw/zinc/53/86/10/1125538610.db2.gz IQCNEHKDZGVEID-UHFFFAOYSA-N 2 1 286.463 3.771 20 0 CHADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC(C)(C)C[C@H]1C)[NH+](C)C ZINC000300132478 1125551152 /nfs/dbraw/zinc/55/11/52/1125551152.db2.gz GEBHEDPJBNHRLN-BMFZPTHFSA-N 2 1 268.489 3.767 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2C2CC2)C1 ZINC000678284161 1125556111 /nfs/dbraw/zinc/55/61/11/1125556111.db2.gz WJINAHSWIOZOQS-MRXNPFEDSA-N 2 1 286.463 3.728 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H](C)C2)c1 ZINC000236667107 1125559545 /nfs/dbraw/zinc/55/95/45/1125559545.db2.gz GQULSBUIIUMFJC-CRAIPNDOSA-N 2 1 274.452 3.805 20 0 CHADMP CC1(C)CCC([NH+]2CCC3(CCCC[NH2+]3)CC2)CC1 ZINC000257729782 1125575184 /nfs/dbraw/zinc/57/51/84/1125575184.db2.gz QWKJPCYOGHUEJB-UHFFFAOYSA-N 2 1 264.457 3.563 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@H]2CC=CCC2)C3)cc1 ZINC000245671805 1125587856 /nfs/dbraw/zinc/58/78/56/1125587856.db2.gz HLZWLAHAJHIBTQ-LWYYNNOASA-N 2 1 296.458 3.880 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000245744555 1125593881 /nfs/dbraw/zinc/59/38/81/1125593881.db2.gz MNRJQLQNZJQCLB-ZFWWWQNUSA-N 2 1 286.419 3.656 20 0 CHADMP Cc1oc2ccccc2c1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245744555 1125593891 /nfs/dbraw/zinc/59/38/91/1125593891.db2.gz MNRJQLQNZJQCLB-ZFWWWQNUSA-N 2 1 286.419 3.656 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245744555 1125593895 /nfs/dbraw/zinc/59/38/95/1125593895.db2.gz MNRJQLQNZJQCLB-ZFWWWQNUSA-N 2 1 286.419 3.656 20 0 CHADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc([C@@H]3C[C@@H]3C)o2)[C@@H](C)C1 ZINC000245771691 1125593950 /nfs/dbraw/zinc/59/39/50/1125593950.db2.gz RZASARWNGFBHJO-DIECFANBSA-N 2 1 290.451 3.565 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc([C@@H]3C[C@@H]3C)o2)[C@@H](C)C1 ZINC000245771691 1125593964 /nfs/dbraw/zinc/59/39/64/1125593964.db2.gz RZASARWNGFBHJO-DIECFANBSA-N 2 1 290.451 3.565 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc([C@@H]3C[C@@H]3C)o2)[C@@H](C)C1 ZINC000245771691 1125593967 /nfs/dbraw/zinc/59/39/67/1125593967.db2.gz RZASARWNGFBHJO-DIECFANBSA-N 2 1 290.451 3.565 20 0 CHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000533427858 1125605968 /nfs/dbraw/zinc/60/59/68/1125605968.db2.gz OAPNNWKCFSHYIT-IRXDYDNUSA-N 2 1 272.436 3.555 20 0 CHADMP Cc1ccc(CC[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000533408146 1125606319 /nfs/dbraw/zinc/60/63/19/1125606319.db2.gz QIDGDGGVHSKGLE-UHFFFAOYSA-N 2 1 288.479 3.590 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@H+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC000429533651 1125618437 /nfs/dbraw/zinc/61/84/37/1125618437.db2.gz BVEUSLDNXDNXLI-RCFWFJCLSA-N 2 1 292.854 3.769 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@@H+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC000429533651 1125618441 /nfs/dbraw/zinc/61/84/41/1125618441.db2.gz BVEUSLDNXDNXLI-RCFWFJCLSA-N 2 1 292.854 3.769 20 0 CHADMP C[C@H](CC[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1)CC(C)(C)C ZINC001205981741 1125620693 /nfs/dbraw/zinc/62/06/93/1125620693.db2.gz GITCIFWAHKIVGZ-PMPSAXMXSA-N 2 1 268.489 3.756 20 0 CHADMP CO[C@@H]1CCC[C@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000885923411 1125627799 /nfs/dbraw/zinc/62/77/99/1125627799.db2.gz ZMAZMDGNGVWVSL-FGTMMUONSA-N 2 1 296.499 3.578 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1C[C@H]1C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000886127955 1125654046 /nfs/dbraw/zinc/65/40/46/1125654046.db2.gz YOFYJRLVWKIOFF-MYZZLAAOSA-N 2 1 290.495 3.665 20 0 CHADMP CSC1(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCCCC1 ZINC000886322330 1125670438 /nfs/dbraw/zinc/67/04/38/1125670438.db2.gz YLFTZAXIXHZBOF-AWEZNQCLSA-N 2 1 284.513 3.515 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1 ZINC000161516096 1125704894 /nfs/dbraw/zinc/70/48/94/1125704894.db2.gz HGQQDUXUTXOJJO-SNVBAGLBSA-N 2 1 287.234 3.738 20 0 CHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCF ZINC000285216424 1125708856 /nfs/dbraw/zinc/70/88/56/1125708856.db2.gz GERJPGNPIUQYHB-KRWDZBQOSA-N 2 1 292.442 3.626 20 0 CHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCF ZINC000285216424 1125708862 /nfs/dbraw/zinc/70/88/62/1125708862.db2.gz GERJPGNPIUQYHB-KRWDZBQOSA-N 2 1 292.442 3.626 20 0 CHADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(C)c1 ZINC000285872667 1125717596 /nfs/dbraw/zinc/71/75/96/1125717596.db2.gz ZAUPPFGJFWWXNW-GOSISDBHSA-N 2 1 272.436 3.663 20 0 CHADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000130048822 1125735558 /nfs/dbraw/zinc/73/55/58/1125735558.db2.gz CVYDHPDWOLDKAV-LBDPXKHJSA-N 2 1 266.473 3.521 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000130048822 1125735561 /nfs/dbraw/zinc/73/55/61/1125735561.db2.gz CVYDHPDWOLDKAV-LBDPXKHJSA-N 2 1 266.473 3.521 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC000309737739 1125742720 /nfs/dbraw/zinc/74/27/20/1125742720.db2.gz RBCJNKZPWHHSBH-YSTOQKLRSA-N 2 1 298.474 3.677 20 0 CHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000262047630 1125750289 /nfs/dbraw/zinc/75/02/89/1125750289.db2.gz ZDMSFHSGDQSPDX-VNHYZAJKSA-N 2 1 280.843 3.503 20 0 CHADMP c1cc2c(cccc2C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)[nH]1 ZINC000093564167 1125770705 /nfs/dbraw/zinc/77/07/05/1125770705.db2.gz GFGSYLXIRWCORS-KRWDZBQOSA-N 2 1 297.446 3.618 20 0 CHADMP c1cc(C2CCC2)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000508709281 1125778427 /nfs/dbraw/zinc/77/84/27/1125778427.db2.gz KIMMFVXAQPGSOV-SFHVURJKSA-N 2 1 298.474 3.872 20 0 CHADMP CCC1(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000508721187 1125782725 /nfs/dbraw/zinc/78/27/25/1125782725.db2.gz UEIDWXRHZUAQLI-WMZOPIPTSA-N 2 1 286.463 3.677 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)cc(Cl)c2)[C@H](C)C1 ZINC000508726521 1125784533 /nfs/dbraw/zinc/78/45/33/1125784533.db2.gz JHXORUCWGKQYIX-RHSMWYFYSA-N 2 1 294.870 3.811 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)cc(Cl)c2)[C@H](C)C1 ZINC000508726521 1125784536 /nfs/dbraw/zinc/78/45/36/1125784536.db2.gz JHXORUCWGKQYIX-RHSMWYFYSA-N 2 1 294.870 3.811 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)cc(Cl)c2)[C@H](C)C1 ZINC000508726521 1125784541 /nfs/dbraw/zinc/78/45/41/1125784541.db2.gz JHXORUCWGKQYIX-RHSMWYFYSA-N 2 1 294.870 3.811 20 0 CHADMP CC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638291075 1129252821 /nfs/dbraw/zinc/25/28/21/1129252821.db2.gz ZPCIYMHZHODZBL-QILLFSRXSA-N 2 1 272.436 3.743 20 0 CHADMP CC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638291075 1129252824 /nfs/dbraw/zinc/25/28/24/1129252824.db2.gz ZPCIYMHZHODZBL-QILLFSRXSA-N 2 1 272.436 3.743 20 0 CHADMP C1CC1[NH+]1CCC([NH2+]C2CCC(=C3CCC3)CC2)CC1 ZINC000638321939 1129254235 /nfs/dbraw/zinc/25/42/35/1129254235.db2.gz NPUBLQWPJUVDNM-UHFFFAOYSA-N 2 1 274.452 3.626 20 0 CHADMP CCCC[N@@H+](Cc1ccccc1Cl)C[C@H]1CC[NH2+]C1 ZINC000647884138 1129587106 /nfs/dbraw/zinc/58/71/06/1129587106.db2.gz QZDQJUGEERKDHM-AWEZNQCLSA-N 2 1 280.843 3.552 20 0 CHADMP CCCC[N@H+](Cc1ccccc1Cl)C[C@H]1CC[NH2+]C1 ZINC000647884138 1129587108 /nfs/dbraw/zinc/58/71/08/1129587108.db2.gz QZDQJUGEERKDHM-AWEZNQCLSA-N 2 1 280.843 3.552 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCCC(F)(F)C1 ZINC001258908578 1129845609 /nfs/dbraw/zinc/84/56/09/1129845609.db2.gz XSCSAOZMMGCGGW-CQSZACIVSA-N 2 1 276.415 3.618 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@](C)(F)CC1 ZINC001258907076 1129844239 /nfs/dbraw/zinc/84/42/39/1129844239.db2.gz FEAODRZKTVZHSH-HZPDHXFCSA-N 2 1 272.452 3.711 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCCCC(F)(F)C1 ZINC001258908578 1129845603 /nfs/dbraw/zinc/84/56/03/1129845603.db2.gz XSCSAOZMMGCGGW-CQSZACIVSA-N 2 1 276.415 3.618 20 0 CHADMP CC(C)C[C@H](C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768542801 1129862454 /nfs/dbraw/zinc/86/24/54/1129862454.db2.gz HNAXMJXFPSRCAB-HNNXBMFYSA-N 2 1 262.441 3.615 20 0 CHADMP CSC(C)(C)C[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001258328125 1129205185 /nfs/dbraw/zinc/20/51/85/1129205185.db2.gz VMIDMDJXYSBLOY-XQLPTFJDSA-N 2 1 284.513 3.512 20 0 CHADMP CSC(C)(C)C[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001258328125 1129205186 /nfs/dbraw/zinc/20/51/86/1129205186.db2.gz VMIDMDJXYSBLOY-XQLPTFJDSA-N 2 1 284.513 3.512 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000338008651 1126708765 /nfs/dbraw/zinc/70/87/65/1126708765.db2.gz RVGLKGJFNBMJIZ-INIZCTEOSA-N 2 1 285.435 3.858 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000338020755 1126711215 /nfs/dbraw/zinc/71/12/15/1126711215.db2.gz OBZUZILQKHQJGA-SFHVURJKSA-N 2 1 285.435 3.959 20 0 CHADMP CCCC[C@H]1CCC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000338032471 1126713401 /nfs/dbraw/zinc/71/34/01/1126713401.db2.gz VZKTYGIUFVNHDK-JKSUJKDBSA-N 2 1 263.429 3.530 20 0 CHADMP CC[C@@H](c1ccccc1)[N@@H+](C)CCCn1ccnc1C ZINC000136305144 1126725184 /nfs/dbraw/zinc/72/51/84/1126725184.db2.gz FAZDGVGSAFDYIL-KRWDZBQOSA-N 2 1 271.408 3.665 20 0 CHADMP CC[C@@H](c1ccccc1)[N@H+](C)CCCn1cc[nH+]c1C ZINC000136305144 1126725187 /nfs/dbraw/zinc/72/51/87/1126725187.db2.gz FAZDGVGSAFDYIL-KRWDZBQOSA-N 2 1 271.408 3.665 20 0 CHADMP CC[C@@H](c1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000136305144 1126725190 /nfs/dbraw/zinc/72/51/90/1126725190.db2.gz FAZDGVGSAFDYIL-KRWDZBQOSA-N 2 1 271.408 3.665 20 0 CHADMP CC1=C(c2ccco2)C[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000338342109 1126736353 /nfs/dbraw/zinc/73/63/53/1126736353.db2.gz FKCNUSQPFCAJQA-INIZCTEOSA-N 2 1 288.435 3.633 20 0 CHADMP CC1=C(c2ccco2)C[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000338342109 1126736357 /nfs/dbraw/zinc/73/63/57/1126736357.db2.gz FKCNUSQPFCAJQA-INIZCTEOSA-N 2 1 288.435 3.633 20 0 CHADMP CC1=C(c2ccco2)C[N@H+](CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000338342109 1126736361 /nfs/dbraw/zinc/73/63/61/1126736361.db2.gz FKCNUSQPFCAJQA-INIZCTEOSA-N 2 1 288.435 3.633 20 0 CHADMP CC1=C(c2ccco2)C[N@@H+](CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000338342109 1126736364 /nfs/dbraw/zinc/73/63/64/1126736364.db2.gz FKCNUSQPFCAJQA-INIZCTEOSA-N 2 1 288.435 3.633 20 0 CHADMP Cc1cc2[nH]c(C[NH+](C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2c(C)c1 ZINC000482007842 1126738739 /nfs/dbraw/zinc/73/87/39/1126738739.db2.gz KQTLNCRSNIXUGV-NVXWUHKLSA-N 2 1 299.462 3.699 20 0 CHADMP Cc1cc2[nH]c(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2c(C)c1 ZINC000482007842 1126738742 /nfs/dbraw/zinc/73/87/42/1126738742.db2.gz KQTLNCRSNIXUGV-NVXWUHKLSA-N 2 1 299.462 3.699 20 0 CHADMP Cc1cc2[nH]c(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)cc2c(C)c1 ZINC000482007842 1126738745 /nfs/dbraw/zinc/73/87/45/1126738745.db2.gz KQTLNCRSNIXUGV-NVXWUHKLSA-N 2 1 299.462 3.699 20 0 CHADMP Cc1cc2[nH]c(C[N@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)cc2c(C)c1 ZINC000482007842 1126738748 /nfs/dbraw/zinc/73/87/48/1126738748.db2.gz KQTLNCRSNIXUGV-NVXWUHKLSA-N 2 1 299.462 3.699 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000482231973 1126746210 /nfs/dbraw/zinc/74/62/10/1126746210.db2.gz YFICIKOJQDPANH-BZSNNMDCSA-N 2 1 278.484 3.785 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000482231973 1126746213 /nfs/dbraw/zinc/74/62/13/1126746213.db2.gz YFICIKOJQDPANH-BZSNNMDCSA-N 2 1 278.484 3.785 20 0 CHADMP CC(C)=CCC[C@H](C)CC[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000482231973 1126746216 /nfs/dbraw/zinc/74/62/16/1126746216.db2.gz YFICIKOJQDPANH-BZSNNMDCSA-N 2 1 278.484 3.785 20 0 CHADMP CC(C)=CCC[C@H](C)CC[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000482231973 1126746217 /nfs/dbraw/zinc/74/62/17/1126746217.db2.gz YFICIKOJQDPANH-BZSNNMDCSA-N 2 1 278.484 3.785 20 0 CHADMP CC(C)=CCC[C@H](C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000482242606 1126747552 /nfs/dbraw/zinc/74/75/52/1126747552.db2.gz FZOVUEJBHNHQSQ-YESZJQIVSA-N 2 1 266.473 3.831 20 0 CHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](C(C)(C)C)C1 ZINC000483256947 1126775620 /nfs/dbraw/zinc/77/56/20/1126775620.db2.gz GGHYSGSENWQTBH-JKSUJKDBSA-N 2 1 266.473 3.619 20 0 CHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000483256947 1126775621 /nfs/dbraw/zinc/77/56/21/1126775621.db2.gz GGHYSGSENWQTBH-JKSUJKDBSA-N 2 1 266.473 3.619 20 0 CHADMP C(CC1CCCC1)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000483200422 1126772699 /nfs/dbraw/zinc/77/26/99/1126772699.db2.gz QKPRANWRVIBUDE-GOSISDBHSA-N 2 1 278.484 3.907 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCC2CCCCC2)[C@@H](C)C1 ZINC000483252913 1126775721 /nfs/dbraw/zinc/77/57/21/1126775721.db2.gz ARXCEEFCCHOFSB-RDJZCZTQSA-N 2 1 266.473 3.619 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCC2CCCCC2)[C@@H](C)C1 ZINC000483252913 1126775725 /nfs/dbraw/zinc/77/57/25/1126775725.db2.gz ARXCEEFCCHOFSB-RDJZCZTQSA-N 2 1 266.473 3.619 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC2CCCCC2)[C@@H](C)C1 ZINC000483252913 1126775729 /nfs/dbraw/zinc/77/57/29/1126775729.db2.gz ARXCEEFCCHOFSB-RDJZCZTQSA-N 2 1 266.473 3.619 20 0 CHADMP CC[C@@H]1C[N@H+]([C@@H](C)c2ccc(C(C)C)cc2)CC[C@H]1[NH3+] ZINC000251899225 1126799865 /nfs/dbraw/zinc/79/98/65/1126799865.db2.gz WQNYHCPRIPLOBK-HDMKZQKVSA-N 2 1 274.452 3.930 20 0 CHADMP Cc1ccsc1[C@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000178700766 1126818126 /nfs/dbraw/zinc/81/81/26/1126818126.db2.gz NCPDXICOACNLPF-YPMHNXCESA-N 2 1 277.437 3.548 20 0 CHADMP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000484475858 1126820410 /nfs/dbraw/zinc/82/04/10/1126820410.db2.gz OROUPYUCIJKJER-ARFHVFGLSA-N 2 1 290.451 3.609 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000484625112 1126837494 /nfs/dbraw/zinc/83/74/94/1126837494.db2.gz SXDGXSPXRPJMFB-CEXWTWQISA-N 2 1 286.463 3.787 20 0 CHADMP CCCC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H](C)c1ccccc1 ZINC000904324642 1126845566 /nfs/dbraw/zinc/84/55/66/1126845566.db2.gz ZKNRGVOFNWSSLX-INMHGKMJSA-N 2 1 260.425 3.587 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904325228 1126845847 /nfs/dbraw/zinc/84/58/47/1126845847.db2.gz SZNRFVWABRZWIO-WFGGJUAMSA-N 2 1 280.843 3.501 20 0 CHADMP CC1(C)[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H]1c1ccccc1 ZINC000181011464 1126851125 /nfs/dbraw/zinc/85/11/25/1126851125.db2.gz LZIGUWNLKFJURN-KFKAGJAMSA-N 2 1 298.474 3.643 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252414393 1126853313 /nfs/dbraw/zinc/85/33/13/1126853313.db2.gz HKBYCUANVVGAQY-KBAYOESNSA-N 2 1 290.426 3.741 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(C)(C)CC)C[C@@H]1C ZINC000484924629 1126856398 /nfs/dbraw/zinc/85/63/98/1126856398.db2.gz IBUANBGMYZPMKD-GJZGRUSLSA-N 2 1 254.462 3.617 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(C)(C)CC)C[C@@H]1C ZINC000484924629 1126856401 /nfs/dbraw/zinc/85/64/01/1126856401.db2.gz IBUANBGMYZPMKD-GJZGRUSLSA-N 2 1 254.462 3.617 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(C)(C)CC)C[C@@H]1C ZINC000484924629 1126856403 /nfs/dbraw/zinc/85/64/03/1126856403.db2.gz IBUANBGMYZPMKD-GJZGRUSLSA-N 2 1 254.462 3.617 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(C)(C)CC)C[C@H]1C ZINC000484924630 1126856878 /nfs/dbraw/zinc/85/68/78/1126856878.db2.gz IBUANBGMYZPMKD-HUUCEWRRSA-N 2 1 254.462 3.617 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(C)(C)CC)C[C@H]1C ZINC000484924630 1126856882 /nfs/dbraw/zinc/85/68/82/1126856882.db2.gz IBUANBGMYZPMKD-HUUCEWRRSA-N 2 1 254.462 3.617 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(C)(C)CC)C[C@H]1C ZINC000484924630 1126856885 /nfs/dbraw/zinc/85/68/85/1126856885.db2.gz IBUANBGMYZPMKD-HUUCEWRRSA-N 2 1 254.462 3.617 20 0 CHADMP Clc1csc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235160827 1130716178 /nfs/dbraw/zinc/71/61/78/1130716178.db2.gz QZOHZSMGMKIGDW-OAHLLOKOSA-N 2 1 298.883 3.756 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235710884 1130772491 /nfs/dbraw/zinc/77/24/91/1130772491.db2.gz JSMZTVRERSHWHX-ARJAWSKDSA-N 2 1 264.457 3.589 20 0 CHADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(F)cc(Cl)c2)C[C@H]1C ZINC000485687037 1126943371 /nfs/dbraw/zinc/94/33/71/1126943371.db2.gz VFKOTIDYXGSCQW-MLGOLLRUSA-N 2 1 298.833 3.784 20 0 CHADMP CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccsc1 ZINC000191208454 1126949153 /nfs/dbraw/zinc/94/91/53/1126949153.db2.gz HLCSCXOAOCYUNW-ZFWWWQNUSA-N 2 1 266.454 3.521 20 0 CHADMP CC(C)[NH+]1CCC(Nc2cc[nH+]c3ccsc32)CC1 ZINC000266137261 1126979912 /nfs/dbraw/zinc/97/99/12/1126979912.db2.gz FWAZGXICGYCBAC-UHFFFAOYSA-N 2 1 275.421 3.581 20 0 CHADMP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC)C1 ZINC001319832427 1126988425 /nfs/dbraw/zinc/98/84/25/1126988425.db2.gz NIGVTELLNVFHRB-YYIAUSFCSA-N 2 1 266.473 3.523 20 0 CHADMP C[NH+](C)[C@@H](CNc1cc[nH+]cc1Cl)c1cccs1 ZINC000267319780 1126996923 /nfs/dbraw/zinc/99/69/23/1126996923.db2.gz YSRLOKBMUYRQMV-LBPRGKRZSA-N 2 1 281.812 3.511 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000668713213 1127012433 /nfs/dbraw/zinc/01/24/33/1127012433.db2.gz IVFVRDPVQFJSSF-QRQLOZEOSA-N 2 1 298.474 3.534 20 0 CHADMP c1ccc([C@@H]2CCC[C@@H]2[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000268764651 1127022995 /nfs/dbraw/zinc/02/29/95/1127022995.db2.gz PLIGYUGRNAHEAT-OALUTQOASA-N 2 1 284.447 3.539 20 0 CHADMP C[NH+](C)CC1(C[NH2+]Cc2cc(Cl)cs2)CCCC1 ZINC000487558291 1127034757 /nfs/dbraw/zinc/03/47/57/1127034757.db2.gz KPMBHSZZOBGHCY-UHFFFAOYSA-N 2 1 286.872 3.613 20 0 CHADMP CCC[C@H](C)C[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236566051 1130976006 /nfs/dbraw/zinc/97/60/06/1130976006.db2.gz ALRDMAREPDRCJJ-ZOBUZTSGSA-N 2 1 266.473 3.937 20 0 CHADMP C[C@H]1C[C@@H]1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000488301786 1127070696 /nfs/dbraw/zinc/07/06/96/1127070696.db2.gz UADZUNNKYHUTBH-PKOBYXMFSA-N 2 1 298.474 3.631 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC=CCC1 ZINC000271435472 1127080946 /nfs/dbraw/zinc/08/09/46/1127080946.db2.gz CNCRRIXRMCOWTA-NEWSRXKRSA-N 2 1 284.447 3.595 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC=CCC1 ZINC000271435472 1127080947 /nfs/dbraw/zinc/08/09/47/1127080947.db2.gz CNCRRIXRMCOWTA-NEWSRXKRSA-N 2 1 284.447 3.595 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc2cc(F)ccc2o1 ZINC000349386339 1127150579 /nfs/dbraw/zinc/15/05/79/1127150579.db2.gz RTKBFWDFHGXCIS-UHFFFAOYSA-N 2 1 292.398 3.736 20 0 CHADMP CCSc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000165379504 1129215728 /nfs/dbraw/zinc/21/57/28/1129215728.db2.gz XLNWJCIKHAXCTA-IJEWVQPXSA-N 2 1 292.492 3.932 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+](C)C1CC[NH+](CC2CC2)CC1 ZINC001168387709 1127215565 /nfs/dbraw/zinc/21/55/65/1127215565.db2.gz QPMGCXJELFBRHQ-LJQANCHMSA-N 2 1 286.463 3.944 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc2occc2c1 ZINC000352233382 1127221673 /nfs/dbraw/zinc/22/16/73/1127221673.db2.gz YGOMDISAPZSIAH-OAHLLOKOSA-N 2 1 286.419 3.787 20 0 CHADMP CC(C)Cc1ccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000352338721 1127225225 /nfs/dbraw/zinc/22/52/25/1127225225.db2.gz VPKRPDQAUSDRRD-SFHVURJKSA-N 2 1 297.446 3.988 20 0 CHADMP Cc1ccnc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000285472530 1127230525 /nfs/dbraw/zinc/23/05/25/1127230525.db2.gz AXWCMCKSJQGELK-IRXDYDNUSA-N 2 1 289.467 3.695 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000590786660 1127272796 /nfs/dbraw/zinc/27/27/96/1127272796.db2.gz JDTFJHLJWFKZQJ-UHFFFAOYSA-N 2 1 296.405 3.517 20 0 CHADMP CCc1cccc(Cl)c1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000573101955 1127294004 /nfs/dbraw/zinc/29/40/04/1127294004.db2.gz ZZVMOZVSQNHBEQ-AWEZNQCLSA-N 2 1 294.870 3.722 20 0 CHADMP CCc1cccc(Cl)c1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000573101955 1127294006 /nfs/dbraw/zinc/29/40/06/1127294006.db2.gz ZZVMOZVSQNHBEQ-AWEZNQCLSA-N 2 1 294.870 3.722 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(F)c2ccccc21 ZINC000287283781 1127299414 /nfs/dbraw/zinc/29/94/14/1127299414.db2.gz JRMJAOHOCZWJLO-CYBMUJFWSA-N 2 1 286.394 3.724 20 0 CHADMP C[NH+](C)CCC[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000359369469 1127460500 /nfs/dbraw/zinc/46/05/00/1127460500.db2.gz KDQXWKAEFCRDMZ-CQSZACIVSA-N 2 1 298.883 3.808 20 0 CHADMP Cc1nc(C(C)C)sc1[C@H](C)NCCC[N@H+](C)C(C)C ZINC000359639345 1127471007 /nfs/dbraw/zinc/47/10/07/1127471007.db2.gz KOEOTEAWVJAPCL-ZDUSSCGKSA-N 2 1 297.512 3.956 20 0 CHADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000359639345 1127471009 /nfs/dbraw/zinc/47/10/09/1127471009.db2.gz KOEOTEAWVJAPCL-ZDUSSCGKSA-N 2 1 297.512 3.956 20 0 CHADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000359639345 1127471010 /nfs/dbraw/zinc/47/10/10/1127471010.db2.gz KOEOTEAWVJAPCL-ZDUSSCGKSA-N 2 1 297.512 3.956 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)C(C)(C)C)cc1F ZINC000360594959 1127502655 /nfs/dbraw/zinc/50/26/55/1127502655.db2.gz CAVFEFQWAWRHKM-LBPRGKRZSA-N 2 1 289.398 3.844 20 0 CHADMP CC[C@@H](C[N@H+](CC)CCn1cc[nH+]c1C)c1ccccc1 ZINC000360726522 1127508345 /nfs/dbraw/zinc/50/83/45/1127508345.db2.gz RCCZJFNUCAILRB-KRWDZBQOSA-N 2 1 285.435 3.707 20 0 CHADMP CC[C@@H](C[N@@H+](CC)CCn1cc[nH+]c1C)c1ccccc1 ZINC000360726522 1127508347 /nfs/dbraw/zinc/50/83/47/1127508347.db2.gz RCCZJFNUCAILRB-KRWDZBQOSA-N 2 1 285.435 3.707 20 0 CHADMP C[C@H](CC1CCCC1)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001308869256 1127529793 /nfs/dbraw/zinc/52/97/93/1127529793.db2.gz NBBHRUKNJPQMER-WBVHZDCISA-N 2 1 278.484 3.952 20 0 CHADMP C[C@H](CC1CCCC1)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001308869256 1127529794 /nfs/dbraw/zinc/52/97/94/1127529794.db2.gz NBBHRUKNJPQMER-WBVHZDCISA-N 2 1 278.484 3.952 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3sccc32)C1 ZINC000361062353 1127534955 /nfs/dbraw/zinc/53/49/55/1127534955.db2.gz XAQJGFMVIOQQDU-HOCLYGCPSA-N 2 1 292.492 3.836 20 0 CHADMP Cc1nc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cs1 ZINC000361078693 1127536291 /nfs/dbraw/zinc/53/62/91/1127536291.db2.gz ISUATDWPOSJPPX-UONOGXRCSA-N 2 1 295.496 3.757 20 0 CHADMP CC1(C)CCC[NH+](C/C=C/C[N@@H+]2CCCC(C)(C)C2)C1 ZINC000602881121 1127619451 /nfs/dbraw/zinc/61/94/51/1127619451.db2.gz MUOHSWLWZRKOGG-AATRIKPKSA-N 2 1 278.484 3.787 20 0 CHADMP C[C@@H]1CCC[NH+]1Cc1ccc(C[N@@H+]2CCC[C@@H]2C)cc1 ZINC000362435397 1127635740 /nfs/dbraw/zinc/63/57/40/1127635740.db2.gz SJGHVHOMPRKHFT-IYBDPMFKSA-N 2 1 272.436 3.655 20 0 CHADMP C[C@@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCC[C@@H]2C)cc1 ZINC000362435397 1127635741 /nfs/dbraw/zinc/63/57/41/1127635741.db2.gz SJGHVHOMPRKHFT-IYBDPMFKSA-N 2 1 272.436 3.655 20 0 CHADMP C[C@@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCC[C@@H]2C)cc1 ZINC000362435397 1127635742 /nfs/dbraw/zinc/63/57/42/1127635742.db2.gz SJGHVHOMPRKHFT-IYBDPMFKSA-N 2 1 272.436 3.655 20 0 CHADMP Cc1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cs1 ZINC000295778457 1127652679 /nfs/dbraw/zinc/65/26/79/1127652679.db2.gz RJPWJBIRZVWNGQ-UHFFFAOYSA-N 2 1 278.465 3.553 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)s1 ZINC000373524081 1127848596 /nfs/dbraw/zinc/84/85/96/1127848596.db2.gz QVJZLBMNCJZAQL-WLYUNCDWSA-N 2 1 292.492 3.978 20 0 CHADMP CC(CC[NH+]1CCC12CCC2)CC[N@H+]1CCC12CCC2 ZINC000411307364 1127853078 /nfs/dbraw/zinc/85/30/78/1127853078.db2.gz HBZTXYBSCRKLIW-UHFFFAOYSA-N 2 1 276.468 3.660 20 0 CHADMP CN(C/C=C\c1ccccc1)CC[C@H]1CCCC[N@H+]1C ZINC000608500868 1127870999 /nfs/dbraw/zinc/87/09/99/1127870999.db2.gz QQGMZKSWCAODJJ-IBWPDUFMSA-N 2 1 272.436 3.506 20 0 CHADMP C[N@@H+](C/C=C\c1ccccc1)CC[C@H]1CCCC[NH+]1C ZINC000608500868 1127871003 /nfs/dbraw/zinc/87/10/03/1127871003.db2.gz QQGMZKSWCAODJJ-IBWPDUFMSA-N 2 1 272.436 3.506 20 0 CHADMP C[N@H+](C/C=C\c1ccccc1)CC[C@H]1CCCC[NH+]1C ZINC000608500868 1127871006 /nfs/dbraw/zinc/87/10/06/1127871006.db2.gz QQGMZKSWCAODJJ-IBWPDUFMSA-N 2 1 272.436 3.506 20 0 CHADMP C[NH+](C/C=C\c1ccccc1)CC[C@H]1CCCC[N@@H+]1C ZINC000608500868 1127871007 /nfs/dbraw/zinc/87/10/07/1127871007.db2.gz QQGMZKSWCAODJJ-IBWPDUFMSA-N 2 1 272.436 3.506 20 0 CHADMP C[NH+](C/C=C\c1ccccc1)CC[C@H]1CCCC[N@H+]1C ZINC000608500868 1127871011 /nfs/dbraw/zinc/87/10/11/1127871011.db2.gz QQGMZKSWCAODJJ-IBWPDUFMSA-N 2 1 272.436 3.506 20 0 CHADMP CC[C@@H]1C[C@H](C)C[NH+]1C/C=C\C[N@@H+]1C[C@H](C)C[C@@H]1CC ZINC000608758130 1127888265 /nfs/dbraw/zinc/88/82/65/1127888265.db2.gz FSJUKYMCFILGJT-YWRIGZGCSA-N 2 1 278.484 3.783 20 0 CHADMP CC[C@@H]1C[C@H](C)C[N@H+]1C/C=C\C[NH+]1C[C@H](C)C[C@@H]1CC ZINC000608758130 1127888269 /nfs/dbraw/zinc/88/82/69/1127888269.db2.gz FSJUKYMCFILGJT-YWRIGZGCSA-N 2 1 278.484 3.783 20 0 CHADMP CC[C@@H]1C[C@H](C)C[N@@H+]1C/C=C\C[NH+]1C[C@H](C)C[C@@H]1CC ZINC000608758130 1127888274 /nfs/dbraw/zinc/88/82/74/1127888274.db2.gz FSJUKYMCFILGJT-YWRIGZGCSA-N 2 1 278.484 3.783 20 0 CHADMP C/C(=C/c1ccccc1)C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000374321391 1127890650 /nfs/dbraw/zinc/89/06/50/1127890650.db2.gz ALCXJCYXZBCDPU-ICFOKQHNSA-N 2 1 284.447 3.650 20 0 CHADMP c1ccc([C@@H]2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000374481487 1127900358 /nfs/dbraw/zinc/90/03/58/1127900358.db2.gz NBGCQYJOAMOBMY-YDZRNGNQSA-N 2 1 284.447 3.539 20 0 CHADMP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623506838 1127912543 /nfs/dbraw/zinc/91/25/43/1127912543.db2.gz JJFCHHWJSHAFKU-NEPJUHHUSA-N 2 1 280.378 3.570 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](C(C)(C)C)CC1 ZINC000535468078 1127916885 /nfs/dbraw/zinc/91/68/85/1127916885.db2.gz HZEBREHBTHCCDK-JKSUJKDBSA-N 2 1 266.473 3.619 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C)CCCCCC2)[C@H](C)C1 ZINC000539560326 1127929884 /nfs/dbraw/zinc/92/98/84/1127929884.db2.gz OGMGGDUGEVIXFX-CVEARBPZSA-N 2 1 266.473 3.667 20 0 CHADMP CCCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)cc1 ZINC000539791685 1127939976 /nfs/dbraw/zinc/93/99/76/1127939976.db2.gz JYRBYPTXQOCRSF-VQIMIIECSA-N 2 1 288.479 3.944 20 0 CHADMP CCCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000539791685 1127939979 /nfs/dbraw/zinc/93/99/79/1127939979.db2.gz JYRBYPTXQOCRSF-VQIMIIECSA-N 2 1 288.479 3.944 20 0 CHADMP CCCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000539791685 1127939981 /nfs/dbraw/zinc/93/99/81/1127939981.db2.gz JYRBYPTXQOCRSF-VQIMIIECSA-N 2 1 288.479 3.944 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C)c2C)C[C@H]1C ZINC000539817305 1127942418 /nfs/dbraw/zinc/94/24/18/1127942418.db2.gz GZHCXFIHKBICBV-QAPCUYQASA-N 2 1 274.452 3.608 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C)c2C)C[C@H]1C ZINC000539817305 1127942420 /nfs/dbraw/zinc/94/24/20/1127942420.db2.gz GZHCXFIHKBICBV-QAPCUYQASA-N 2 1 274.452 3.608 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C)c2C)C[C@H]1C ZINC000539817305 1127942422 /nfs/dbraw/zinc/94/24/22/1127942422.db2.gz GZHCXFIHKBICBV-QAPCUYQASA-N 2 1 274.452 3.608 20 0 CHADMP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000671295788 1127942461 /nfs/dbraw/zinc/94/24/61/1127942461.db2.gz ZLIHRYZREIAQQX-HUUCEWRRSA-N 2 1 266.473 3.808 20 0 CHADMP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000671295788 1127942462 /nfs/dbraw/zinc/94/24/62/1127942462.db2.gz ZLIHRYZREIAQQX-HUUCEWRRSA-N 2 1 266.473 3.808 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC[C@@H](C)C2)C[C@@H]1C ZINC000540052740 1127958995 /nfs/dbraw/zinc/95/89/95/1127958995.db2.gz PAIGBQAKUYMWTR-TWMKSMIVSA-N 2 1 266.473 3.617 20 0 CHADMP CCSCC[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000540050421 1127959613 /nfs/dbraw/zinc/95/96/13/1127959613.db2.gz SFMNHCBIPIOZQN-UHFFFAOYSA-N 2 1 298.540 3.574 20 0 CHADMP C[C@H]1CCC[C@@H](CCN2CCC3(CCC[N@H+]3C)CC2)C1 ZINC000544131898 1127960462 /nfs/dbraw/zinc/96/04/62/1127960462.db2.gz GUECKNWUPSPNPD-IRXDYDNUSA-N 2 1 278.484 3.763 20 0 CHADMP C[C@H]1CCC[C@@H](CC[NH+]2CCC3(CCC[N@@H+]3C)CC2)C1 ZINC000544131898 1127960465 /nfs/dbraw/zinc/96/04/65/1127960465.db2.gz GUECKNWUPSPNPD-IRXDYDNUSA-N 2 1 278.484 3.763 20 0 CHADMP C[C@H]1CCC[C@@H](CC[NH+]2CCC3(CCC[N@H+]3C)CC2)C1 ZINC000544131898 1127960468 /nfs/dbraw/zinc/96/04/68/1127960468.db2.gz GUECKNWUPSPNPD-IRXDYDNUSA-N 2 1 278.484 3.763 20 0 CHADMP Cc1ccccc1[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C(C)C ZINC000540360127 1127976625 /nfs/dbraw/zinc/97/66/25/1127976625.db2.gz PLTGFBXZLIFFGM-AEFFLSMTSA-N 2 1 274.452 3.766 20 0 CHADMP CC[N@H+]1CC[C@H](CN[C@@H](c2ccc(C)o2)C2CCCC2)C1 ZINC000540475300 1127980019 /nfs/dbraw/zinc/98/00/19/1127980019.db2.gz MLAVUTAKUITNTG-CRAIPNDOSA-N 2 1 290.451 3.751 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(C)o2)C2CCCC2)C1 ZINC000540475300 1127980024 /nfs/dbraw/zinc/98/00/24/1127980024.db2.gz MLAVUTAKUITNTG-CRAIPNDOSA-N 2 1 290.451 3.751 20 0 CHADMP C[N@@H+]1CCCC12CC[NH+](Cc1ccc3ccccc3c1)CC2 ZINC000541339122 1128019999 /nfs/dbraw/zinc/01/99/99/1128019999.db2.gz UBEFEAANOPKMCA-UHFFFAOYSA-N 2 1 294.442 3.900 20 0 CHADMP C[N@H+]1CCCC12CC[NH+](Cc1ccc3ccccc3c1)CC2 ZINC000541339122 1128020002 /nfs/dbraw/zinc/02/00/02/1128020002.db2.gz UBEFEAANOPKMCA-UHFFFAOYSA-N 2 1 294.442 3.900 20 0 CHADMP CCc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000469614905 1128048616 /nfs/dbraw/zinc/04/86/16/1128048616.db2.gz GRDADLRVDXXUKZ-LJQANCHMSA-N 2 1 286.463 3.699 20 0 CHADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccccc2)cc1F ZINC000469870090 1128056645 /nfs/dbraw/zinc/05/66/45/1128056645.db2.gz HVBDZSAAVXEVFH-LSDHHAIUSA-N 2 1 298.405 3.662 20 0 CHADMP Cc1ccccc1-c1cccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000469865491 1128056669 /nfs/dbraw/zinc/05/66/69/1128056669.db2.gz JOYWWZMZERLZGZ-APWZRJJASA-N 2 1 294.442 3.831 20 0 CHADMP Cc1ccccc1-c1cccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000469865493 1128056914 /nfs/dbraw/zinc/05/69/14/1128056914.db2.gz JOYWWZMZERLZGZ-LPHOPBHVSA-N 2 1 294.442 3.831 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000470198546 1128066122 /nfs/dbraw/zinc/06/61/22/1128066122.db2.gz SQHPSNJUUCTQJS-HUUCEWRRSA-N 2 1 294.870 3.765 20 0 CHADMP CCC[C@@H](CC)[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257253436 1128097326 /nfs/dbraw/zinc/09/73/26/1128097326.db2.gz OQSXWZWQAHQDCK-BZUAXINKSA-N 2 1 254.462 3.793 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc3ccccc3[nH]2)C1 ZINC000924750476 1128112472 /nfs/dbraw/zinc/11/24/72/1128112472.db2.gz FGMRLAGXHBHUOU-GJZGRUSLSA-N 2 1 285.435 3.550 20 0 CHADMP c1ccc([C@H]2C[C@H]([NH2+]C3(C4CC4)CC3)CC[N@H+]2C2CC2)cc1 ZINC000925895813 1128145607 /nfs/dbraw/zinc/14/56/07/1128145607.db2.gz CQNHNUIRJKKRKC-IEBWSBKVSA-N 2 1 296.458 3.887 20 0 CHADMP c1ccc([C@H]2C[C@H]([NH2+]C3(C4CC4)CC3)CC[N@@H+]2C2CC2)cc1 ZINC000925895813 1128145608 /nfs/dbraw/zinc/14/56/08/1128145608.db2.gz CQNHNUIRJKKRKC-IEBWSBKVSA-N 2 1 296.458 3.887 20 0 CHADMP CCC1([NH3+])CC[NH+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000925757941 1128141269 /nfs/dbraw/zinc/14/12/69/1128141269.db2.gz XEYCFFLEIPSWST-OAHLLOKOSA-N 2 1 278.827 3.531 20 0 CHADMP CCCc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925781729 1128142339 /nfs/dbraw/zinc/14/23/39/1128142339.db2.gz ZXOUCLSEKKVGAO-CJNGLKHVSA-N 2 1 296.405 3.535 20 0 CHADMP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1csc(Cl)c1 ZINC000925841536 1128143732 /nfs/dbraw/zinc/14/37/32/1128143732.db2.gz PVQAVJMINFVXHC-ZKYQVNSYSA-N 2 1 284.856 3.584 20 0 CHADMP C[C@H](C[NH2+][C@@H](C)c1csc(C(F)(F)F)c1)C[NH+](C)C ZINC000926476260 1128173984 /nfs/dbraw/zinc/17/39/84/1128173984.db2.gz ZFDRLWQBJMIAMT-ZJUUUORDSA-N 2 1 294.386 3.615 20 0 CHADMP CCc1cccnc1[C@@H](C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000542488693 1128181674 /nfs/dbraw/zinc/18/16/74/1128181674.db2.gz URICHVMYHZZLSU-JKSUJKDBSA-N 2 1 289.467 3.559 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1coc2ccccc12 ZINC000926572184 1128181881 /nfs/dbraw/zinc/18/18/81/1128181881.db2.gz CGFFGKHIVFRKQE-HUUCEWRRSA-N 2 1 286.419 3.815 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc2ccccc2[nH]1 ZINC000926753302 1128191969 /nfs/dbraw/zinc/19/19/69/1128191969.db2.gz MYQPSRVJJCXGMF-LSDHHAIUSA-N 2 1 285.435 3.550 20 0 CHADMP Cc1ccc2cc([C@H](C)[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)oc2c1 ZINC000495261297 1128255926 /nfs/dbraw/zinc/25/59/26/1128255926.db2.gz WKBHLIGKEFJLLT-LSDHHAIUSA-N 2 1 298.430 3.876 20 0 CHADMP Cc1ccc2cc([C@H](C)[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)oc2c1 ZINC000495261297 1128255927 /nfs/dbraw/zinc/25/59/27/1128255927.db2.gz WKBHLIGKEFJLLT-LSDHHAIUSA-N 2 1 298.430 3.876 20 0 CHADMP CC1CCC(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000542508574 1128201025 /nfs/dbraw/zinc/20/10/25/1128201025.db2.gz HYVQYOXUHVCIGX-AKSNENBUSA-N 2 1 290.495 3.761 20 0 CHADMP CC1CCC(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000542508574 1128201028 /nfs/dbraw/zinc/20/10/28/1128201028.db2.gz HYVQYOXUHVCIGX-AKSNENBUSA-N 2 1 290.495 3.761 20 0 CHADMP CC1CCC(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000542508574 1128201032 /nfs/dbraw/zinc/20/10/32/1128201032.db2.gz HYVQYOXUHVCIGX-AKSNENBUSA-N 2 1 290.495 3.761 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)c1 ZINC000494906682 1128210929 /nfs/dbraw/zinc/21/09/29/1128210929.db2.gz XGUOFKHINWEXPL-IIDMSEBBSA-N 2 1 274.452 3.661 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000495020610 1128224121 /nfs/dbraw/zinc/22/41/21/1128224121.db2.gz UOYLYTGUNQCNNF-KBXIAJHMSA-N 2 1 288.426 3.520 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)[C@H]1C ZINC000495087048 1128230852 /nfs/dbraw/zinc/23/08/52/1128230852.db2.gz RUFYYOWZNNESCC-JLHDYFKBSA-N 2 1 292.492 3.765 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[C@H]1C ZINC000495087048 1128230856 /nfs/dbraw/zinc/23/08/56/1128230856.db2.gz RUFYYOWZNNESCC-JLHDYFKBSA-N 2 1 292.492 3.765 20 0 CHADMP CC1=CC[C@@H](CC[N@@H+]2CCCC[C@]23CC[NH2+]C3)C1(C)C ZINC001235125299 1128303053 /nfs/dbraw/zinc/30/30/53/1128303053.db2.gz OQSXYSXLKMRLID-FUHWJXTLSA-N 2 1 276.468 3.587 20 0 CHADMP CC1=CC[C@@H](CC[N@H+]2CCCC[C@]23CC[NH2+]C3)C1(C)C ZINC001235125299 1128303058 /nfs/dbraw/zinc/30/30/58/1128303058.db2.gz OQSXYSXLKMRLID-FUHWJXTLSA-N 2 1 276.468 3.587 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000322255303 1128341284 /nfs/dbraw/zinc/34/12/84/1128341284.db2.gz FISVLDNWGHWKRU-MJGOQNOKSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]1C ZINC000322341072 1128342462 /nfs/dbraw/zinc/34/24/62/1128342462.db2.gz RKBAYROHAUGTFH-DZBHQSCQSA-N 2 1 286.463 3.531 20 0 CHADMP CC1(C)CC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000562058764 1128375010 /nfs/dbraw/zinc/37/50/10/1128375010.db2.gz RQMIWHUHJCIHMG-RDGPPVDQSA-N 2 1 298.474 3.960 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+]C1CCC(C2CCCCC2)CC1 ZINC000683471220 1128384677 /nfs/dbraw/zinc/38/46/77/1128384677.db2.gz CJEVYFNQSPGCJH-UHFFFAOYSA-N 2 1 289.467 3.920 20 0 CHADMP CC[N@@H+](CC[C@@H]1CCCC[NH2+]1)Cc1ccc(Cl)cc1 ZINC001235961972 1128416385 /nfs/dbraw/zinc/41/63/85/1128416385.db2.gz IFLDRVOVPMPGET-INIZCTEOSA-N 2 1 280.843 3.694 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(C)(C)C1 ZINC000398170044 1128393917 /nfs/dbraw/zinc/39/39/17/1128393917.db2.gz ULIDTNPZZUGKDV-QAPCUYQASA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(C)(C)C1 ZINC000398170044 1128393919 /nfs/dbraw/zinc/39/39/19/1128393919.db2.gz ULIDTNPZZUGKDV-QAPCUYQASA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3ccccc3c2)CCN1C ZINC000123343038 1128411135 /nfs/dbraw/zinc/41/11/35/1128411135.db2.gz VDUVNDUAWYGGFI-BEFAXECRSA-N 2 1 282.431 3.754 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3ccccc3c2)CC[N@@H+]1C ZINC000123343038 1128411138 /nfs/dbraw/zinc/41/11/38/1128411138.db2.gz VDUVNDUAWYGGFI-BEFAXECRSA-N 2 1 282.431 3.754 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3ccccc3c2)CC[NH+]1C ZINC000123343038 1128411144 /nfs/dbraw/zinc/41/11/44/1128411144.db2.gz VDUVNDUAWYGGFI-BEFAXECRSA-N 2 1 282.431 3.754 20 0 CHADMP C[C@@H]1C[C@H]([N@@H+](C)CCCc2ccc(Cl)cc2)CCN1C ZINC000123362239 1128412467 /nfs/dbraw/zinc/41/24/67/1128412467.db2.gz RQMJKECSLLZTCP-RHSMWYFYSA-N 2 1 294.870 3.687 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)CCCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000123362239 1128412469 /nfs/dbraw/zinc/41/24/69/1128412469.db2.gz RQMJKECSLLZTCP-RHSMWYFYSA-N 2 1 294.870 3.687 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)CCCc2ccc(Cl)cc2)CC[N@H+]1C ZINC000123362239 1128412470 /nfs/dbraw/zinc/41/24/70/1128412470.db2.gz RQMJKECSLLZTCP-RHSMWYFYSA-N 2 1 294.870 3.687 20 0 CHADMP C[C@@H]1C[C@H]([N@H+](C)CCCc2ccc(Cl)cc2)CC[NH+]1C ZINC000123362239 1128412473 /nfs/dbraw/zinc/41/24/73/1128412473.db2.gz RQMJKECSLLZTCP-RHSMWYFYSA-N 2 1 294.870 3.687 20 0 CHADMP C[C@@H]1C[C@H]([N@@H+](C)CCCc2ccc(Cl)cc2)CC[NH+]1C ZINC000123362239 1128412474 /nfs/dbraw/zinc/41/24/74/1128412474.db2.gz RQMJKECSLLZTCP-RHSMWYFYSA-N 2 1 294.870 3.687 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000037644116 1128433987 /nfs/dbraw/zinc/43/39/87/1128433987.db2.gz RENKKHDIGMNJHX-HOTGVXAUSA-N 2 1 288.479 3.977 20 0 CHADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205171603 1128434068 /nfs/dbraw/zinc/43/40/68/1128434068.db2.gz UHMIUSYZRPBDJX-HDMKZQKVSA-N 2 1 288.479 3.584 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000037644360 1128434207 /nfs/dbraw/zinc/43/42/07/1128434207.db2.gz ZLTGNCYMSDNESP-NFOMZHRRSA-N 2 1 292.854 3.517 20 0 CHADMP c1ccc([C@H]2CCCC[N@@H+]2CC[C@@H]2CCCC[NH2+]2)cc1 ZINC001205171645 1128434528 /nfs/dbraw/zinc/43/45/28/1128434528.db2.gz VDBQPVWKEUPYLU-ZWKOTPCHSA-N 2 1 272.436 3.746 20 0 CHADMP C[C@H](C[NH2+][C@H](C)c1ccccc1Cl)C[NH+]1CCCC1 ZINC000062078048 1128436200 /nfs/dbraw/zinc/43/62/00/1128436200.db2.gz DNFCWWHPNCRSSS-ZIAGYGMSSA-N 2 1 280.843 3.723 20 0 CHADMP CCC1CCC(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000037905254 1128437450 /nfs/dbraw/zinc/43/74/50/1128437450.db2.gz IKYIRWJSBPIYFK-WHHARQNVSA-N 2 1 266.473 3.521 20 0 CHADMP CC[NH+]1CCC([NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000038098094 1128437974 /nfs/dbraw/zinc/43/79/74/1128437974.db2.gz VASTYDZLLKOIDD-UHFFFAOYSA-N 2 1 292.854 3.660 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](C)CC(C)(C)c2ccccc2)CC1 ZINC000038098141 1128438065 /nfs/dbraw/zinc/43/80/65/1128438065.db2.gz UTCPOCGOTKJMOJ-INIZCTEOSA-N 2 1 288.479 3.817 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001257462318 1128440745 /nfs/dbraw/zinc/44/07/45/1128440745.db2.gz BIFVGSDVXIWUNN-VIQHNZTISA-N 2 1 266.473 3.806 20 0 CHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)C2(C)CC2)CC1 ZINC000125166962 1128448426 /nfs/dbraw/zinc/44/84/26/1128448426.db2.gz QRZQRSPXLKXPHY-HOTGVXAUSA-N 2 1 286.463 3.990 20 0 CHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2F)C1 ZINC000125793585 1128453898 /nfs/dbraw/zinc/45/38/98/1128453898.db2.gz JABDJOSNGWZGHA-UONOGXRCSA-N 2 1 296.405 3.736 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2F)C1 ZINC000125793585 1128453900 /nfs/dbraw/zinc/45/39/00/1128453900.db2.gz JABDJOSNGWZGHA-UONOGXRCSA-N 2 1 296.405 3.736 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)CC2 ZINC000125908932 1128456542 /nfs/dbraw/zinc/45/65/42/1128456542.db2.gz GAOZNJKUVURGDN-QFBILLFUSA-N 2 1 286.463 3.692 20 0 CHADMP CCC[C@@H](C)CC[C@@H](C)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001257468852 1128464455 /nfs/dbraw/zinc/46/44/55/1128464455.db2.gz RCBQQVKSVBEVEC-WXLSXGNJSA-N 2 1 254.462 3.793 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c(C)cc(C)cc1C ZINC000127321002 1128475760 /nfs/dbraw/zinc/47/57/60/1128475760.db2.gz GYOBQIKDYWUZBT-UHFFFAOYSA-N 2 1 285.435 3.639 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c(C)cc(C)cc1C ZINC000127321002 1128475762 /nfs/dbraw/zinc/47/57/62/1128475762.db2.gz GYOBQIKDYWUZBT-UHFFFAOYSA-N 2 1 285.435 3.639 20 0 CHADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccccc2)cc1F ZINC000563721319 1128475992 /nfs/dbraw/zinc/47/59/92/1128475992.db2.gz GFBFXPCEEYCDKU-KSSFIOAISA-N 2 1 298.405 3.804 20 0 CHADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccccc2)cc1F ZINC000563721319 1128475994 /nfs/dbraw/zinc/47/59/94/1128475994.db2.gz GFBFXPCEEYCDKU-KSSFIOAISA-N 2 1 298.405 3.804 20 0 CHADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000567258117 1128561596 /nfs/dbraw/zinc/56/15/96/1128561596.db2.gz NVYPDZQVAKNMHS-HNULKUCHSA-N 2 1 298.474 3.703 20 0 CHADMP CC(C)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000565391844 1128525415 /nfs/dbraw/zinc/52/54/15/1128525415.db2.gz ZVVBQPVCCXCLAJ-CRAIPNDOSA-N 2 1 274.452 3.582 20 0 CHADMP CC(C)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000565391844 1128525418 /nfs/dbraw/zinc/52/54/18/1128525418.db2.gz ZVVBQPVCCXCLAJ-CRAIPNDOSA-N 2 1 274.452 3.582 20 0 CHADMP CC(C)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000565391844 1128525422 /nfs/dbraw/zinc/52/54/22/1128525422.db2.gz ZVVBQPVCCXCLAJ-CRAIPNDOSA-N 2 1 274.452 3.582 20 0 CHADMP CC(C)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000565391844 1128525426 /nfs/dbraw/zinc/52/54/26/1128525426.db2.gz ZVVBQPVCCXCLAJ-CRAIPNDOSA-N 2 1 274.452 3.582 20 0 CHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000129006931 1128525787 /nfs/dbraw/zinc/52/57/87/1128525787.db2.gz ZXTRUUBUWCBGLT-UHFFFAOYSA-N 2 1 298.833 3.832 20 0 CHADMP C[C@@H]1CCCC[NH+]1CCCCC[N@@H+]1CCCC[C@H]1C ZINC000566040176 1128537299 /nfs/dbraw/zinc/53/72/99/1128537299.db2.gz ZHYQRHKMMCQNLE-IAGOWNOFSA-N 2 1 266.473 3.906 20 0 CHADMP C[C@@H]1CCCC[NH+]1CCCCC[N@@H+]1CCCC[C@@H]1C ZINC000566040175 1128537407 /nfs/dbraw/zinc/53/74/07/1128537407.db2.gz ZHYQRHKMMCQNLE-CALCHBBNSA-N 2 1 266.473 3.906 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCCC[NH+]1CCCC[C@@H]1C ZINC000566040175 1128537409 /nfs/dbraw/zinc/53/74/09/1128537409.db2.gz ZHYQRHKMMCQNLE-CALCHBBNSA-N 2 1 266.473 3.906 20 0 CHADMP C[C@@H]1CCCC[N@@H+]1CCCCC[NH+]1CCCC[C@@H]1C ZINC000566040175 1128537411 /nfs/dbraw/zinc/53/74/11/1128537411.db2.gz ZHYQRHKMMCQNLE-CALCHBBNSA-N 2 1 266.473 3.906 20 0 CHADMP C[C@H]1CCCC[NH+]1CCCCC[N@@H+]1CCCC[C@@H]1C ZINC000566040177 1128537679 /nfs/dbraw/zinc/53/76/79/1128537679.db2.gz ZHYQRHKMMCQNLE-IRXDYDNUSA-N 2 1 266.473 3.906 20 0 CHADMP C[N@H+](CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C1CCCC1 ZINC000069382957 1128538922 /nfs/dbraw/zinc/53/89/22/1128538922.db2.gz FANOSNOPINGPIO-STQMWFEESA-N 2 1 292.389 3.572 20 0 CHADMP C[N@@H+](CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C1CCCC1 ZINC000069382957 1128538924 /nfs/dbraw/zinc/53/89/24/1128538924.db2.gz FANOSNOPINGPIO-STQMWFEESA-N 2 1 292.389 3.572 20 0 CHADMP CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000129435745 1128541028 /nfs/dbraw/zinc/54/10/28/1128541028.db2.gz IFNYFGRWWCXWPU-RLFYNMQTSA-N 2 1 274.452 3.943 20 0 CHADMP CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000129435745 1128541032 /nfs/dbraw/zinc/54/10/32/1128541032.db2.gz IFNYFGRWWCXWPU-RLFYNMQTSA-N 2 1 274.452 3.943 20 0 CHADMP Cc1ccc2ccnc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2c1 ZINC000566853395 1128553127 /nfs/dbraw/zinc/55/31/27/1128553127.db2.gz VXHKZIAWLUZHAU-MQVJKMGUSA-N 2 1 281.403 3.580 20 0 CHADMP Cc1ccc2cc[nH+]c(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2c1 ZINC000566853395 1128553129 /nfs/dbraw/zinc/55/31/29/1128553129.db2.gz VXHKZIAWLUZHAU-MQVJKMGUSA-N 2 1 281.403 3.580 20 0 CHADMP Cc1ccc2cc[nH+]c(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2c1 ZINC000566853395 1128553131 /nfs/dbraw/zinc/55/31/31/1128553131.db2.gz VXHKZIAWLUZHAU-MQVJKMGUSA-N 2 1 281.403 3.580 20 0 CHADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc3ccccc3o2)C1 ZINC000567718566 1128570281 /nfs/dbraw/zinc/57/02/81/1128570281.db2.gz GYAXLBMSWDYBOV-CABCVRRESA-N 2 1 286.419 3.815 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc3ccccc3o2)C1 ZINC000567718566 1128570284 /nfs/dbraw/zinc/57/02/84/1128570284.db2.gz GYAXLBMSWDYBOV-CABCVRRESA-N 2 1 286.419 3.815 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C(C)(C)C ZINC000568047238 1128577055 /nfs/dbraw/zinc/57/70/55/1128577055.db2.gz IOWGJEJTFSRZDF-OIISXLGYSA-N 2 1 274.452 3.846 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C(C)(C)C ZINC000568047238 1128577058 /nfs/dbraw/zinc/57/70/58/1128577058.db2.gz IOWGJEJTFSRZDF-OIISXLGYSA-N 2 1 274.452 3.846 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[C@H]2C2CC2)c1 ZINC000568080227 1128577620 /nfs/dbraw/zinc/57/76/20/1128577620.db2.gz UXKPICIKNJPXOK-OALUTQOASA-N 2 1 286.463 3.805 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H]2C2CC2)c1 ZINC000568080229 1128577960 /nfs/dbraw/zinc/57/79/60/1128577960.db2.gz UXKPICIKNJPXOK-RTBURBONSA-N 2 1 286.463 3.805 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCC2CCCC2)C1 ZINC000568564739 1128587949 /nfs/dbraw/zinc/58/79/49/1128587949.db2.gz ARDCUSGGMWZIKA-RDJZCZTQSA-N 2 1 266.473 3.665 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3c(Cl)cccc32)C1 ZINC000568801504 1128592497 /nfs/dbraw/zinc/59/24/97/1128592497.db2.gz XQIQNLYGOLPVIP-CXAGYDPISA-N 2 1 292.854 3.649 20 0 CHADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000568879135 1128594011 /nfs/dbraw/zinc/59/40/11/1128594011.db2.gz HAPYDYAGCNAKIW-KRWDZBQOSA-N 2 1 285.435 3.730 20 0 CHADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC1CCC(c2ccccc2)CC1 ZINC000569706868 1128607586 /nfs/dbraw/zinc/60/75/86/1128607586.db2.gz UPIRSMBHBUIMQS-GSHBMFQSSA-N 2 1 286.463 3.772 20 0 CHADMP Cc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)ccc1Cl ZINC000569859527 1128610512 /nfs/dbraw/zinc/61/05/12/1128610512.db2.gz WFMYUYWMZIDEEA-NVXWUHKLSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)ccc1Cl ZINC000569859527 1128610515 /nfs/dbraw/zinc/61/05/15/1128610515.db2.gz WFMYUYWMZIDEEA-NVXWUHKLSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)ccc1Cl ZINC000569859527 1128610517 /nfs/dbraw/zinc/61/05/17/1128610517.db2.gz WFMYUYWMZIDEEA-NVXWUHKLSA-N 2 1 292.854 3.565 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3C[C@H]4C[C@H]4C3)CC23CC3)cc1 ZINC000570514557 1128625369 /nfs/dbraw/zinc/62/53/69/1128625369.db2.gz QVRCNZHCZDMAMU-RDGPPVDQSA-N 2 1 296.458 3.572 20 0 CHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3C[C@H]4C[C@H]4C3)CC23CC3)cc1 ZINC000570514557 1128625371 /nfs/dbraw/zinc/62/53/71/1128625371.db2.gz QVRCNZHCZDMAMU-RDGPPVDQSA-N 2 1 296.458 3.572 20 0 CHADMP CC[N@H+](CCC[NH+](C)C)Cc1cc2ccccc2s1 ZINC000571926396 1128640836 /nfs/dbraw/zinc/64/08/36/1128640836.db2.gz ZBXMNFHBYAEMSW-UHFFFAOYSA-N 2 1 276.449 3.675 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc2ccccc2s1 ZINC000571926396 1128640838 /nfs/dbraw/zinc/64/08/38/1128640838.db2.gz ZBXMNFHBYAEMSW-UHFFFAOYSA-N 2 1 276.449 3.675 20 0 CHADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000577814716 1128690376 /nfs/dbraw/zinc/69/03/76/1128690376.db2.gz WZHDWOPDRMOYPR-SNRMKQJTSA-N 2 1 286.463 3.802 20 0 CHADMP C[C@H]1CC[N@H+](CCCc2c[nH+]cn2C)CC12CCCCC2 ZINC000577883840 1128696716 /nfs/dbraw/zinc/69/67/16/1128696716.db2.gz UUMISWJWLAKNBM-INIZCTEOSA-N 2 1 289.467 3.645 20 0 CHADMP C[C@H]1CC[N@@H+](CCCc2c[nH+]cn2C)CC12CCCCC2 ZINC000577883840 1128696717 /nfs/dbraw/zinc/69/67/17/1128696717.db2.gz UUMISWJWLAKNBM-INIZCTEOSA-N 2 1 289.467 3.645 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000577945712 1128700484 /nfs/dbraw/zinc/70/04/84/1128700484.db2.gz VIUOUIDQQSPSOW-NJAFHUGGSA-N 2 1 278.484 3.643 20 0 CHADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001258056463 1128713003 /nfs/dbraw/zinc/71/30/03/1128713003.db2.gz PKZDFKPVILAWFX-ARFHVFGLSA-N 2 1 254.462 3.521 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314505 1128713813 /nfs/dbraw/zinc/71/38/13/1128713813.db2.gz PJTYPNZIVTWWFT-OKZBNKHCSA-N 2 1 278.484 3.690 20 0 CHADMP CSc1ccc(CN(C)CC[C@H]2CCCC[N@H+]2C)s1 ZINC000578565924 1128721830 /nfs/dbraw/zinc/72/18/30/1128721830.db2.gz SZHDYZJYQCFVMW-CYBMUJFWSA-N 2 1 298.521 3.776 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@H]1CCC[C@H]1c1ccccc1 ZINC000578904017 1128732516 /nfs/dbraw/zinc/73/25/16/1128732516.db2.gz FFTMNGLDWXSCOW-OALUTQOASA-N 2 1 297.446 3.621 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@H]1CCC[C@H]1c1ccccc1 ZINC000578904017 1128732519 /nfs/dbraw/zinc/73/25/19/1128732519.db2.gz FFTMNGLDWXSCOW-OALUTQOASA-N 2 1 297.446 3.621 20 0 CHADMP C[NH+]1CCC([NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000035047335 1117764339 /nfs/dbraw/zinc/76/43/39/1117764339.db2.gz FLYNNRZRCJSARG-AWEZNQCLSA-N 2 1 296.867 3.561 20 0 CHADMP CCCCc1oc2ccccc2c1C[NH2+]CCC[NH+](C)C ZINC000035112255 1117778263 /nfs/dbraw/zinc/77/82/63/1117778263.db2.gz FJVAOOZBISQLCC-UHFFFAOYSA-N 2 1 288.435 3.817 20 0 CHADMP Cc1cc(NCCC[N@H+]2CCCC[C@H]2C)nc(C(C)C)n1 ZINC000035121583 1117778950 /nfs/dbraw/zinc/77/89/50/1117778950.db2.gz UHDHPZCLRTXFPK-OAHLLOKOSA-N 2 1 290.455 3.585 20 0 CHADMP CC[NH+](CC)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001208091764 1117794566 /nfs/dbraw/zinc/79/45/66/1117794566.db2.gz WXQHIKPGVOITBN-UHFFFAOYSA-N 2 1 266.473 3.763 20 0 CHADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@H]2C2CCCCC2)CC1 ZINC001208109109 1117795946 /nfs/dbraw/zinc/79/59/46/1117795946.db2.gz LTOKWJVQSJFPRJ-QGZVFWFLSA-N 2 1 278.484 3.763 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1F ZINC000643548617 1117800440 /nfs/dbraw/zinc/80/04/40/1117800440.db2.gz RYWAODRKCNPACT-CZUORRHYSA-N 2 1 276.399 3.541 20 0 CHADMP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623342884 1117835450 /nfs/dbraw/zinc/83/54/50/1117835450.db2.gz SVQBOXXCGKOXOV-GJZGRUSLSA-N 2 1 290.451 3.527 20 0 CHADMP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623342884 1117835453 /nfs/dbraw/zinc/83/54/53/1117835453.db2.gz SVQBOXXCGKOXOV-GJZGRUSLSA-N 2 1 290.451 3.527 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCSc3ccccc32)CC1(C)C ZINC000623339873 1117837304 /nfs/dbraw/zinc/83/73/04/1117837304.db2.gz NMRHRIUCGHSQLF-HIFRSBDPSA-N 2 1 290.476 3.686 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCSc3ccccc32)CC1(C)C ZINC000623339873 1117837311 /nfs/dbraw/zinc/83/73/11/1117837311.db2.gz NMRHRIUCGHSQLF-HIFRSBDPSA-N 2 1 290.476 3.686 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1(C)C ZINC000623381313 1117846646 /nfs/dbraw/zinc/84/66/46/1117846646.db2.gz NPKDVAICIQJABW-GDBMZVCRSA-N 2 1 292.854 3.790 20 0 CHADMP C[C@@H](CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623387782 1117849188 /nfs/dbraw/zinc/84/91/88/1117849188.db2.gz VSBFYFZERNZKSV-RDJZCZTQSA-N 2 1 274.452 3.643 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(C)(C)c1ccccc1 ZINC000623399522 1117851410 /nfs/dbraw/zinc/85/14/10/1117851410.db2.gz POLPNNFYELKNSL-WBVHZDCISA-N 2 1 288.479 3.815 20 0 CHADMP CC[C@@H]1CC[N@H+]1CC(C)(C)CN(C)Cc1ccccc1 ZINC000430198790 1117852960 /nfs/dbraw/zinc/85/29/60/1117852960.db2.gz PZFVVEAJEAONNW-QGZVFWFLSA-N 2 1 274.452 3.629 20 0 CHADMP CC[C@@H]1CC[N@@H+]1CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000430198790 1117852965 /nfs/dbraw/zinc/85/29/65/1117852965.db2.gz PZFVVEAJEAONNW-QGZVFWFLSA-N 2 1 274.452 3.629 20 0 CHADMP CC[C@@H]1CC[N@H+]1CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000430198790 1117852968 /nfs/dbraw/zinc/85/29/68/1117852968.db2.gz PZFVVEAJEAONNW-QGZVFWFLSA-N 2 1 274.452 3.629 20 0 CHADMP CC[C@@H]1CC[NH+]1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000430198790 1117852971 /nfs/dbraw/zinc/85/29/71/1117852971.db2.gz PZFVVEAJEAONNW-QGZVFWFLSA-N 2 1 274.452 3.629 20 0 CHADMP CC[C@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cc(F)ccc1F ZINC000623428241 1117853607 /nfs/dbraw/zinc/85/36/07/1117853607.db2.gz CZIUFSPFHXVVER-CJNGLKHVSA-N 2 1 296.405 3.878 20 0 CHADMP Cc1cccnc1[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623420402 1117854070 /nfs/dbraw/zinc/85/40/70/1117854070.db2.gz AUPAFFIBEWYFCC-CVEARBPZSA-N 2 1 289.467 3.550 20 0 CHADMP Cc1cccnc1[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000623420402 1117854076 /nfs/dbraw/zinc/85/40/76/1117854076.db2.gz AUPAFFIBEWYFCC-CVEARBPZSA-N 2 1 289.467 3.550 20 0 CHADMP CC1=C[C@@H](C)[C@@H](C[NH+]2CCC([N@@H+](C)C3CC3)CC2)CC1 ZINC001208181397 1117860958 /nfs/dbraw/zinc/86/09/58/1117860958.db2.gz MBOPKHIVPSUOPX-HZPDHXFCSA-N 2 1 276.468 3.537 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)CC1(C)C ZINC000623512456 1117863167 /nfs/dbraw/zinc/86/31/67/1117863167.db2.gz ICSSQOXOGZJIOV-DJIMGWMZSA-N 2 1 290.426 3.534 20 0 CHADMP CSc1ccccc1[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623514396 1117864885 /nfs/dbraw/zinc/86/48/85/1117864885.db2.gz MLLMHBQRJFFGSH-KGLIPLIRSA-N 2 1 292.492 3.932 20 0 CHADMP CSc1ccccc1[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623514396 1117864889 /nfs/dbraw/zinc/86/48/89/1117864889.db2.gz MLLMHBQRJFFGSH-KGLIPLIRSA-N 2 1 292.492 3.932 20 0 CHADMP CC/C=C\CCCCC[N@@H+](CC)C1CCN(C)CC1 ZINC001208190223 1117866502 /nfs/dbraw/zinc/86/65/02/1117866502.db2.gz GTDVFDUHMQMAND-SREVYHEPSA-N 2 1 266.473 3.929 20 0 CHADMP Cc1ccc2oc(C[NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)cc2c1 ZINC000623569596 1117873717 /nfs/dbraw/zinc/87/37/17/1117873717.db2.gz NNOPYSXZTFRQQU-OAHLLOKOSA-N 2 1 286.419 3.704 20 0 CHADMP Cc1ccc2oc(C[NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)cc2c1 ZINC000623569596 1117873724 /nfs/dbraw/zinc/87/37/24/1117873724.db2.gz NNOPYSXZTFRQQU-OAHLLOKOSA-N 2 1 286.419 3.704 20 0 CHADMP CCCCCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185725236 1117879018 /nfs/dbraw/zinc/87/90/18/1117879018.db2.gz UOFUTKNBNHUFID-JKSUJKDBSA-N 2 1 266.473 3.809 20 0 CHADMP CC[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000623657492 1117884860 /nfs/dbraw/zinc/88/48/60/1117884860.db2.gz RPXGQSHOKDHOQI-SJORKVTESA-N 2 1 274.452 3.502 20 0 CHADMP CC[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000623657491 1117885755 /nfs/dbraw/zinc/88/57/55/1117885755.db2.gz RPXGQSHOKDHOQI-IRXDYDNUSA-N 2 1 274.452 3.502 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3ccccc3o2)[C@H](C)C1 ZINC000178539430 1117892919 /nfs/dbraw/zinc/89/29/19/1117892919.db2.gz MUMOSNRRFIJQIK-RHSMWYFYSA-N 2 1 286.419 3.595 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2(c3ccc(Cl)cc3)CCC2)CC[N@@H+]1C ZINC000180355540 1117928513 /nfs/dbraw/zinc/92/85/13/1117928513.db2.gz CYPSMFXOKLFXCK-CZUORRHYSA-N 2 1 292.854 3.792 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2(c3ccc(Cl)cc3)CCC2)CC[N@H+]1C ZINC000180355540 1117928515 /nfs/dbraw/zinc/92/85/15/1117928515.db2.gz CYPSMFXOKLFXCK-CZUORRHYSA-N 2 1 292.854 3.792 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cc(C)ccc1C ZINC000623867011 1117947691 /nfs/dbraw/zinc/94/76/91/1117947691.db2.gz NGDSZVUDBBOWDQ-SJLPKXTDSA-N 2 1 274.452 3.686 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(C)ccc1C ZINC000623890454 1117951691 /nfs/dbraw/zinc/95/16/91/1117951691.db2.gz MSGNYQMZGSHVTR-FUHWJXTLSA-N 2 1 274.452 3.686 20 0 CHADMP CCC[C@H](N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000036996405 1117955085 /nfs/dbraw/zinc/95/50/85/1117955085.db2.gz ZJSPOYPYHMROCU-OKZBNKHCSA-N 2 1 272.436 3.744 20 0 CHADMP CCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000036996405 1117955090 /nfs/dbraw/zinc/95/50/90/1117955090.db2.gz ZJSPOYPYHMROCU-OKZBNKHCSA-N 2 1 272.436 3.744 20 0 CHADMP CCC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000036996405 1117955093 /nfs/dbraw/zinc/95/50/93/1117955093.db2.gz ZJSPOYPYHMROCU-OKZBNKHCSA-N 2 1 272.436 3.744 20 0 CHADMP CC(C)C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000037140867 1117970145 /nfs/dbraw/zinc/97/01/45/1117970145.db2.gz FSNUFVIWQIPYCU-LJQANCHMSA-N 2 1 286.463 3.990 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[C@H]2C2CC2)cc1F ZINC000348089280 1117970959 /nfs/dbraw/zinc/97/09/59/1117970959.db2.gz SWHSTFKFXBVOFI-DOTOQJQBSA-N 2 1 299.393 3.598 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(C)c1 ZINC000624119548 1117984049 /nfs/dbraw/zinc/98/40/49/1117984049.db2.gz DXJMZTXMBHHISL-DLBZAZTESA-N 2 1 274.452 3.686 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1C ZINC000624120431 1117984606 /nfs/dbraw/zinc/98/46/06/1117984606.db2.gz YWRSRYUBFZLOQS-SJORKVTESA-N 2 1 274.452 3.686 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccccc1F ZINC000624121730 1117984790 /nfs/dbraw/zinc/98/47/90/1117984790.db2.gz BZTWVTZMBKXEFU-WMLDXEAASA-N 2 1 278.415 3.598 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1F ZINC000624121730 1117984793 /nfs/dbraw/zinc/98/47/93/1117984793.db2.gz BZTWVTZMBKXEFU-WMLDXEAASA-N 2 1 278.415 3.598 20 0 CHADMP Cc1cc(C)cc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000624120944 1117985178 /nfs/dbraw/zinc/98/51/78/1117985178.db2.gz KOOBHLYFMIJLOT-DLBZAZTESA-N 2 1 274.452 3.686 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000624122972 1117985226 /nfs/dbraw/zinc/98/52/26/1117985226.db2.gz BZLRAUUJNHHDNX-NBMJBFSESA-N 2 1 286.463 3.500 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccccc1Cl ZINC000624120377 1117986238 /nfs/dbraw/zinc/98/62/38/1117986238.db2.gz XPSCMRZYHSJDAZ-ZIAGYGMSSA-N 2 1 280.843 3.723 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccc1Cl ZINC000624120377 1117986240 /nfs/dbraw/zinc/98/62/40/1117986240.db2.gz XPSCMRZYHSJDAZ-ZIAGYGMSSA-N 2 1 280.843 3.723 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(F)c1 ZINC000624123742 1117987518 /nfs/dbraw/zinc/98/75/18/1117987518.db2.gz RVKLLIKBYSUEIZ-YOEHRIQHSA-N 2 1 278.415 3.598 20 0 CHADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(C)cc1 ZINC000181711766 1118004091 /nfs/dbraw/zinc/00/40/91/1118004091.db2.gz FQVKEFSNIPWRGK-IAGOWNOFSA-N 2 1 260.425 3.520 20 0 CHADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(C)cc1 ZINC000181711710 1118004238 /nfs/dbraw/zinc/00/42/38/1118004238.db2.gz FQVKEFSNIPWRGK-IRXDYDNUSA-N 2 1 260.425 3.520 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](CC(C)C)c2ccccc2)C1 ZINC000037643949 1118033658 /nfs/dbraw/zinc/03/36/58/1118033658.db2.gz FZZYYOODDSSKCO-AEFFLSMTSA-N 2 1 274.452 3.705 20 0 CHADMP C[C@H](c1cccs1)[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211953488 1118055918 /nfs/dbraw/zinc/05/59/18/1118055918.db2.gz AUMCMHZCAPJKJL-CYBMUJFWSA-N 2 1 286.444 3.587 20 0 CHADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000193458329 1118066757 /nfs/dbraw/zinc/06/67/57/1118066757.db2.gz FANLVSCGUIBXIJ-GOSISDBHSA-N 2 1 290.451 3.564 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000193458329 1118066761 /nfs/dbraw/zinc/06/67/61/1118066761.db2.gz FANLVSCGUIBXIJ-GOSISDBHSA-N 2 1 290.451 3.564 20 0 CHADMP Cc1ccc2[nH]cc(CN3CCC([N@@H+](C)C4CC4)CC3)c2c1 ZINC001209498262 1118073095 /nfs/dbraw/zinc/07/30/95/1118073095.db2.gz DFLUYNVUFHPVKY-UHFFFAOYSA-N 2 1 297.446 3.535 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000398178209 1118092073 /nfs/dbraw/zinc/09/20/73/1118092073.db2.gz GXCBAVBJMGHLBG-MNEFBYGVSA-N 2 1 286.463 3.675 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000398178209 1118092076 /nfs/dbraw/zinc/09/20/76/1118092076.db2.gz GXCBAVBJMGHLBG-MNEFBYGVSA-N 2 1 286.463 3.675 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2CC3CCC2CC3)CC1 ZINC001167283193 1118155486 /nfs/dbraw/zinc/15/54/86/1118155486.db2.gz BBTZAPPOXGKSHU-JCYILVPMSA-N 2 1 278.484 3.617 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCc2cc(C)cc(C)c21 ZINC000655709398 1118190400 /nfs/dbraw/zinc/19/04/00/1118190400.db2.gz ZBGFTKQBSJQVSE-RDTXWAMCSA-N 2 1 297.446 3.722 20 0 CHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(C)o2)C2CCC2)C1 ZINC000542665211 1118196651 /nfs/dbraw/zinc/19/66/51/1118196651.db2.gz GPWRZGCAWUIABD-MAUKXSAKSA-N 2 1 290.451 3.751 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(C)o2)C2CCC2)C1 ZINC000542665211 1118196653 /nfs/dbraw/zinc/19/66/53/1118196653.db2.gz GPWRZGCAWUIABD-MAUKXSAKSA-N 2 1 290.451 3.751 20 0 CHADMP C(CC[N@H+]1CCC2(CCC2)C1)C[NH+]1CCC2(CCC2)C1 ZINC000122910455 1118299400 /nfs/dbraw/zinc/29/94/00/1118299400.db2.gz FZOLRTKLUXTOQE-UHFFFAOYSA-N 2 1 276.468 3.519 20 0 CHADMP CSc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC000086817901 1118397163 /nfs/dbraw/zinc/39/71/63/1118397163.db2.gz KYGQOUSRAZUDMQ-DZGCQCFKSA-N 2 1 278.465 3.543 20 0 CHADMP CSc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)CC2)cc1 ZINC000086817903 1118397799 /nfs/dbraw/zinc/39/77/99/1118397799.db2.gz KYGQOUSRAZUDMQ-ZFWWWQNUSA-N 2 1 278.465 3.543 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccccc2C)[C@H](C)C1 ZINC000153255603 1118413241 /nfs/dbraw/zinc/41/32/41/1118413241.db2.gz WYSNBCJZGXICCU-SJLPKXTDSA-N 2 1 288.479 3.593 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C=CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379654494 1118422371 /nfs/dbraw/zinc/42/23/71/1118422371.db2.gz IRBSGCFTVVLZGM-QRQLOZEOSA-N 2 1 284.447 3.738 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C=CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000379654494 1118422372 /nfs/dbraw/zinc/42/23/72/1118422372.db2.gz IRBSGCFTVVLZGM-QRQLOZEOSA-N 2 1 284.447 3.738 20 0 CHADMP C[C@]1(C[NH2+][C@H]2CCCC23CC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000706528267 1118427770 /nfs/dbraw/zinc/42/77/70/1118427770.db2.gz HFPXDVYRFOYJQI-RBUKOAKNSA-N 2 1 298.474 3.821 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@@H+](C)CCCn1ccnc1 ZINC000181058696 1118437651 /nfs/dbraw/zinc/43/76/51/1118437651.db2.gz OBJOCHCRIIIZPU-CYBMUJFWSA-N 2 1 277.799 3.620 20 0 CHADMP C[N@H+](CCC1=CCCCC1)CC[C@@H]1CCCC[NH+]1C ZINC001657424498 1118455743 /nfs/dbraw/zinc/45/57/43/1118455743.db2.gz QSZQEJWPCWVWJN-KRWDZBQOSA-N 2 1 264.457 3.683 20 0 CHADMP C[NH+](CCC1=CCCCC1)CC[C@@H]1CCCC[N@@H+]1C ZINC001657424498 1118455745 /nfs/dbraw/zinc/45/57/45/1118455745.db2.gz QSZQEJWPCWVWJN-KRWDZBQOSA-N 2 1 264.457 3.683 20 0 CHADMP C[NH+](CCC1=CCCCC1)CC[C@@H]1CCCC[N@H+]1C ZINC001657424498 1118455750 /nfs/dbraw/zinc/45/57/50/1118455750.db2.gz QSZQEJWPCWVWJN-KRWDZBQOSA-N 2 1 264.457 3.683 20 0 CHADMP CCC[C@H](CC)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000050402502 1118491619 /nfs/dbraw/zinc/49/16/19/1118491619.db2.gz GUFWWPKJTXDVAI-SFHVURJKSA-N 2 1 288.479 3.862 20 0 CHADMP CC[NH+](CC)CCC[N@H+](CC)Cc1sccc1C ZINC000349351626 1118505869 /nfs/dbraw/zinc/50/58/69/1118505869.db2.gz QRULHIKVUWAIBC-UHFFFAOYSA-N 2 1 268.470 3.610 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1sccc1C ZINC000349351626 1118505872 /nfs/dbraw/zinc/50/58/72/1118505872.db2.gz QRULHIKVUWAIBC-UHFFFAOYSA-N 2 1 268.470 3.610 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C)c(F)c1 ZINC000091743047 1118510350 /nfs/dbraw/zinc/51/03/50/1118510350.db2.gz ZSZMLIHLOYWAFM-JFIYKMOQSA-N 2 1 290.426 3.802 20 0 CHADMP CC[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C)c(F)c1 ZINC000091743048 1118510356 /nfs/dbraw/zinc/51/03/56/1118510356.db2.gz ZSZMLIHLOYWAFM-LZLYRXPVSA-N 2 1 290.426 3.802 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C(C)C ZINC000126850473 1118511817 /nfs/dbraw/zinc/51/18/17/1118511817.db2.gz HUUTXIKMVXAAAB-NVXWUHKLSA-N 2 1 294.508 3.984 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C(C)C ZINC000126850473 1118511819 /nfs/dbraw/zinc/51/18/19/1118511819.db2.gz HUUTXIKMVXAAAB-NVXWUHKLSA-N 2 1 294.508 3.984 20 0 CHADMP Cc1ccccc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000580841147 1118513383 /nfs/dbraw/zinc/51/33/83/1118513383.db2.gz IGZNFPCKQNYEMK-VQIMIIECSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000389354871 1118521501 /nfs/dbraw/zinc/52/15/01/1118521501.db2.gz TZYRBSXRNQDPBR-JQHSSLGASA-N 2 1 272.436 3.520 20 0 CHADMP C[C@H]1CC([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C[C@H](C)C1 ZINC000398313273 1118525538 /nfs/dbraw/zinc/52/55/38/1118525538.db2.gz UNPQLUDSRDFUAE-LQQYDMKDSA-N 2 1 298.474 3.531 20 0 CHADMP C[C@H]1CC([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C[C@H](C)C1 ZINC000398313273 1118525541 /nfs/dbraw/zinc/52/55/41/1118525541.db2.gz UNPQLUDSRDFUAE-LQQYDMKDSA-N 2 1 298.474 3.531 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCC(C)(C)C)C1 ZINC000306041023 1118584141 /nfs/dbraw/zinc/58/41/41/1118584141.db2.gz NGRJOWRHOPDJFB-LSDHHAIUSA-N 2 1 254.462 3.521 20 0 CHADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC000470013287 1118598548 /nfs/dbraw/zinc/59/85/48/1118598548.db2.gz WGHHLKWPZFBUJQ-SFHVURJKSA-N 2 1 294.442 3.785 20 0 CHADMP C[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000394912272 1118623522 /nfs/dbraw/zinc/62/35/22/1118623522.db2.gz HBWIMVHPJHYNGT-HNNXBMFYSA-N 2 1 280.415 3.525 20 0 CHADMP Cc1ncc([C@@H](C)[NH2+]CCC[N@H+](C)C2CCCCC2)s1 ZINC000090401239 1118650233 /nfs/dbraw/zinc/65/02/33/1118650233.db2.gz BSMNUIPTDORQQP-CYBMUJFWSA-N 2 1 295.496 3.757 20 0 CHADMP Cc1ncc([C@@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)s1 ZINC000090401239 1118650234 /nfs/dbraw/zinc/65/02/34/1118650234.db2.gz BSMNUIPTDORQQP-CYBMUJFWSA-N 2 1 295.496 3.757 20 0 CHADMP c1oc2ccccc2c1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656786999 1118658969 /nfs/dbraw/zinc/65/89/69/1118658969.db2.gz ZCFAVQVWZOAHCW-INIZCTEOSA-N 2 1 298.430 3.644 20 0 CHADMP C[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000647175483 1118682071 /nfs/dbraw/zinc/68/20/71/1118682071.db2.gz RXRUMKVFKPAYGG-LPHOPBHVSA-N 2 1 298.474 3.819 20 0 CHADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000647175483 1118682072 /nfs/dbraw/zinc/68/20/72/1118682072.db2.gz RXRUMKVFKPAYGG-LPHOPBHVSA-N 2 1 298.474 3.819 20 0 CHADMP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1cnc(C)s1 ZINC000090407620 1118724299 /nfs/dbraw/zinc/72/42/99/1118724299.db2.gz QFANFDCYNXJENW-ZDUSSCGKSA-N 2 1 283.485 3.614 20 0 CHADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000430699615 1118753808 /nfs/dbraw/zinc/75/38/08/1118753808.db2.gz QAJWBQZOVRUZLQ-ABFRBSLYSA-N 2 1 277.456 3.632 20 0 CHADMP C[N@@H+](CCC[NH2+][C@@H]1CC[C@@H]1C1CCC1)Cc1ccccc1 ZINC000510665820 1118784992 /nfs/dbraw/zinc/78/49/92/1118784992.db2.gz CXIZCBQQXXQXMV-RTBURBONSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000510694412 1118789375 /nfs/dbraw/zinc/78/93/75/1118789375.db2.gz IKINYVAPNUEEPQ-JFRXWTBNSA-N 2 1 292.511 3.913 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1=CCCC1 ZINC000401183128 1118808360 /nfs/dbraw/zinc/80/83/60/1118808360.db2.gz VWZSNKOQCQGDDG-VQIMIIECSA-N 2 1 284.447 3.597 20 0 CHADMP CC[C@H]1CCCC[C@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000401302378 1118850778 /nfs/dbraw/zinc/85/07/78/1118850778.db2.gz LLAOLHNHSFDNRR-DUQJVZAFSA-N 2 1 278.484 3.808 20 0 CHADMP CC(C)CCCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000129535429 1118860717 /nfs/dbraw/zinc/86/07/17/1118860717.db2.gz DZBMACPRJMGIQG-JKSUJKDBSA-N 2 1 254.462 3.665 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)c(F)c2)C1 ZINC000535777448 1118884479 /nfs/dbraw/zinc/88/44/79/1118884479.db2.gz GTYFQULJZVNJAR-QWHCGFSZSA-N 2 1 298.833 3.862 20 0 CHADMP CC(C)CCC[C@H](C)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC000228872035 1118912698 /nfs/dbraw/zinc/91/26/98/1118912698.db2.gz PYEUQVDUPVUUEV-AWEZNQCLSA-N 2 1 263.429 3.737 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000511009723 1118943126 /nfs/dbraw/zinc/94/31/26/1118943126.db2.gz CMCAPVREWLBVPP-OALUTQOASA-N 2 1 297.446 3.816 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CC[C@H]3C3CCC3)C2)cc1 ZINC000511011991 1118944906 /nfs/dbraw/zinc/94/49/06/1118944906.db2.gz IXNOXGNPGGZINW-YZGWKJHDSA-N 2 1 298.474 3.677 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)s1 ZINC000041631253 1118948513 /nfs/dbraw/zinc/94/85/13/1118948513.db2.gz XYBYEDPTSBFXTJ-LBPRGKRZSA-N 2 1 278.465 3.588 20 0 CHADMP Cc1cccc(CC[C@@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C)c1 ZINC000380791940 1118950145 /nfs/dbraw/zinc/95/01/45/1118950145.db2.gz IPUHMPJPZMLBFO-IAGOWNOFSA-N 2 1 276.468 3.634 20 0 CHADMP Cc1cccc(CC[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C)c1 ZINC000380791940 1118950149 /nfs/dbraw/zinc/95/01/49/1118950149.db2.gz IPUHMPJPZMLBFO-IAGOWNOFSA-N 2 1 276.468 3.634 20 0 CHADMP CCC[C@](C)([NH2+]CCCc1c[nH+]cn1C)c1ccccc1 ZINC000934179285 1118955085 /nfs/dbraw/zinc/95/50/85/1118955085.db2.gz CHHBTSNINQAHTF-SFHVURJKSA-N 2 1 285.435 3.658 20 0 CHADMP CC(C)C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+](C)C ZINC001207275808 1118992311 /nfs/dbraw/zinc/99/23/11/1118992311.db2.gz PXZPJUIRSCPDGO-UHFFFAOYSA-N 2 1 276.468 3.732 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc2c(s1)CCC2 ZINC000119690927 1119001892 /nfs/dbraw/zinc/00/18/92/1119001892.db2.gz PEXIOEHQFNXPFY-GFCCVEGCSA-N 2 1 290.476 3.514 20 0 CHADMP Cc1ccc([C@@H](C)C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000628128515 1128815710 /nfs/dbraw/zinc/81/57/10/1128815710.db2.gz IWKOHWCAGLSUOY-KRWDZBQOSA-N 2 1 288.479 3.903 20 0 CHADMP Cc1nccn1CC[N@H+](C)CCc1cccc2ccccc21 ZINC000342448203 1119030751 /nfs/dbraw/zinc/03/07/51/1119030751.db2.gz WGMFXMBTJSAXLB-UHFFFAOYSA-N 2 1 293.414 3.519 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](C)CCc1cccc2ccccc21 ZINC000342448203 1119030754 /nfs/dbraw/zinc/03/07/54/1119030754.db2.gz WGMFXMBTJSAXLB-UHFFFAOYSA-N 2 1 293.414 3.519 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](C)CCc1cccc2ccccc21 ZINC000342448203 1119030758 /nfs/dbraw/zinc/03/07/58/1119030758.db2.gz WGMFXMBTJSAXLB-UHFFFAOYSA-N 2 1 293.414 3.519 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCC(C)(C)C)C1 ZINC000582196462 1119031718 /nfs/dbraw/zinc/03/17/18/1119031718.db2.gz AGADJROJZMAWJA-CABCVRRESA-N 2 1 254.462 3.523 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCC(C)(C)C)C1 ZINC000582196464 1119032070 /nfs/dbraw/zinc/03/20/70/1119032070.db2.gz AGADJROJZMAWJA-HUUCEWRRSA-N 2 1 254.462 3.523 20 0 CHADMP C[C@@H](NCCC[N@H+]1CCCC[C@@H]1C)c1cccnc1Cl ZINC000247889341 1119141445 /nfs/dbraw/zinc/14/14/45/1119141445.db2.gz DUNIJMFISDIDBQ-UONOGXRCSA-N 2 1 295.858 3.650 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1CC(F)(F)C1 ZINC000628202983 1128827168 /nfs/dbraw/zinc/82/71/68/1128827168.db2.gz OYIZLIZGJCLMEM-KBPBESRZSA-N 2 1 288.426 3.664 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](CCC(C)C)C1CCCC1 ZINC000342858254 1119210596 /nfs/dbraw/zinc/21/05/96/1119210596.db2.gz CMMXUIIAABJZBS-UHFFFAOYSA-N 2 1 277.456 3.872 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](CCC(C)C)C1CCCC1 ZINC000342858254 1119210599 /nfs/dbraw/zinc/21/05/99/1119210599.db2.gz CMMXUIIAABJZBS-UHFFFAOYSA-N 2 1 277.456 3.872 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1ccc(C)cc1C ZINC000342858763 1119213735 /nfs/dbraw/zinc/21/37/35/1119213735.db2.gz CBOZENBGVSYOGG-MRXNPFEDSA-N 2 1 285.435 3.891 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1ccc(C)cc1C ZINC000342858763 1119213736 /nfs/dbraw/zinc/21/37/36/1119213736.db2.gz CBOZENBGVSYOGG-MRXNPFEDSA-N 2 1 285.435 3.891 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000342864753 1119216153 /nfs/dbraw/zinc/21/61/53/1119216153.db2.gz QDZYTIFWHQDQEE-LJQANCHMSA-N 2 1 297.446 3.679 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000342864753 1119216158 /nfs/dbraw/zinc/21/61/58/1119216158.db2.gz QDZYTIFWHQDQEE-LJQANCHMSA-N 2 1 297.446 3.679 20 0 CHADMP Cc1nccn1CCC[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000342864263 1119216500 /nfs/dbraw/zinc/21/65/00/1119216500.db2.gz NANGNSLLLOJRGG-UHFFFAOYSA-N 2 1 285.435 3.837 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000342864263 1119216504 /nfs/dbraw/zinc/21/65/04/1119216504.db2.gz NANGNSLLLOJRGG-UHFFFAOYSA-N 2 1 285.435 3.837 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000342864263 1119216508 /nfs/dbraw/zinc/21/65/08/1119216508.db2.gz NANGNSLLLOJRGG-UHFFFAOYSA-N 2 1 285.435 3.837 20 0 CHADMP Cc1[nH+]ccn1CCC[NH+]1CCC2(CCCCC2)CC1 ZINC000342865434 1119218241 /nfs/dbraw/zinc/21/82/41/1119218241.db2.gz VHEOMYHPJSKUKR-UHFFFAOYSA-N 2 1 275.440 3.628 20 0 CHADMP CC(C)=CCC[C@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000121440820 1119262663 /nfs/dbraw/zinc/26/26/63/1119262663.db2.gz WDWKMBOKVJTDKY-GJZGRUSLSA-N 2 1 263.429 3.552 20 0 CHADMP CCC[C@H](C)CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC001167648734 1119274376 /nfs/dbraw/zinc/27/43/76/1119274376.db2.gz XORLRLKPZJNTEY-BBWFWOEESA-N 2 1 266.473 3.619 20 0 CHADMP CCC[C@H](C)CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001167648734 1119274379 /nfs/dbraw/zinc/27/43/79/1119274379.db2.gz XORLRLKPZJNTEY-BBWFWOEESA-N 2 1 266.473 3.619 20 0 CHADMP CCC[C@H](C)CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC001167648734 1119274381 /nfs/dbraw/zinc/27/43/81/1119274381.db2.gz XORLRLKPZJNTEY-BBWFWOEESA-N 2 1 266.473 3.619 20 0 CHADMP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000343097594 1119309697 /nfs/dbraw/zinc/30/96/97/1119309697.db2.gz VBZKJCFXWGCQFY-HLLBOEOZSA-N 2 1 290.838 3.544 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000261630279 1119347282 /nfs/dbraw/zinc/34/72/82/1119347282.db2.gz ATIAKABXKHCMDG-KGLIPLIRSA-N 2 1 292.854 3.865 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000261630279 1119347284 /nfs/dbraw/zinc/34/72/84/1119347284.db2.gz ATIAKABXKHCMDG-KGLIPLIRSA-N 2 1 292.854 3.865 20 0 CHADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000261837095 1119357394 /nfs/dbraw/zinc/35/73/94/1119357394.db2.gz CCAFIZGQCNPDRJ-LSDHHAIUSA-N 2 1 292.426 3.816 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](C(C)(C)C)CC2)C1 ZINC000227924395 1119360314 /nfs/dbraw/zinc/36/03/14/1119360314.db2.gz PEFMSPPAMDWQOK-IXDOHACOSA-N 2 1 280.500 3.913 20 0 CHADMP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccnc(Cl)c1 ZINC000161782881 1119381111 /nfs/dbraw/zinc/38/11/11/1119381111.db2.gz PDBOTPDNEBKRKF-CQSZACIVSA-N 2 1 295.858 3.508 20 0 CHADMP Cc1ccc([C@H](C)C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000628296180 1128843821 /nfs/dbraw/zinc/84/38/21/1128843821.db2.gz YVQGDIZMHVXSLD-IEBWSBKVSA-N 2 1 286.463 3.516 20 0 CHADMP Cc1ccc([C@H](C)C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000628296180 1128843826 /nfs/dbraw/zinc/84/38/26/1128843826.db2.gz YVQGDIZMHVXSLD-IEBWSBKVSA-N 2 1 286.463 3.516 20 0 CHADMP Cc1ccc([C@H](C)C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000628296180 1128843828 /nfs/dbraw/zinc/84/38/28/1128843828.db2.gz YVQGDIZMHVXSLD-IEBWSBKVSA-N 2 1 286.463 3.516 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000343503543 1119435982 /nfs/dbraw/zinc/43/59/82/1119435982.db2.gz FREQAUCBXQCQAX-LBTNJELSSA-N 2 1 283.419 3.666 20 0 CHADMP C[C@H]([NH2+]CC1([NH+](C)C)CCCCC1)C(C)(C)C(F)F ZINC000657818521 1119457837 /nfs/dbraw/zinc/45/78/37/1119457837.db2.gz BTYYPAAHHRWYPC-LBPRGKRZSA-N 2 1 276.415 3.520 20 0 CHADMP c1cc(C[N@H+]2CCC23CCC3)ccc1C[NH+]1CCC12CCC2 ZINC000081545248 1119516871 /nfs/dbraw/zinc/51/68/71/1119516871.db2.gz ZCSKLZAEYXXNHG-UHFFFAOYSA-N 2 1 296.458 3.943 20 0 CHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC000081633983 1119519413 /nfs/dbraw/zinc/51/94/13/1119519413.db2.gz ZMVLNLRFPCYLCN-OAHLLOKOSA-N 2 1 292.854 3.504 20 0 CHADMP c1ccc([C@@H]2C[C@@H]2C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683617 1119572026 /nfs/dbraw/zinc/57/20/26/1119572026.db2.gz SQTRIKJGZDPUTP-RLLQIKCJSA-N 2 1 298.474 3.598 20 0 CHADMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000563944478 1119620923 /nfs/dbraw/zinc/62/09/23/1119620923.db2.gz MNHHHTOBDQMRGV-LBPRGKRZSA-N 2 1 292.810 3.545 20 0 CHADMP CC(C)[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccccc1F ZINC000658164855 1119694854 /nfs/dbraw/zinc/69/48/54/1119694854.db2.gz AHSLCPIBRQWCOG-SFHVURJKSA-N 2 1 292.442 3.985 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000300316685 1119696602 /nfs/dbraw/zinc/69/66/02/1119696602.db2.gz VCHCKMSSNSFOMP-ZACQAIPSSA-N 2 1 266.473 3.521 20 0 CHADMP CC1(C)C[C@@]1(C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658305755 1119716736 /nfs/dbraw/zinc/71/67/36/1119716736.db2.gz UMEUBDLYLHANPB-AJYBTWMASA-N 2 1 298.474 3.960 20 0 CHADMP C[C@H]([NH2+][C@]1(C)CC1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658306690 1119717347 /nfs/dbraw/zinc/71/73/47/1119717347.db2.gz YVWAAVMQQUIYSS-VDZJLULYSA-N 2 1 286.463 3.675 20 0 CHADMP CCC1(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340301736 1119750147 /nfs/dbraw/zinc/75/01/47/1119750147.db2.gz HCHOBLKDFNEUKM-IRXDYDNUSA-N 2 1 272.436 3.602 20 0 CHADMP CCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340301736 1119750150 /nfs/dbraw/zinc/75/01/50/1119750150.db2.gz HCHOBLKDFNEUKM-IRXDYDNUSA-N 2 1 272.436 3.602 20 0 CHADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2csc(C)c2)CC1 ZINC000394481438 1119758549 /nfs/dbraw/zinc/75/85/49/1119758549.db2.gz LMADASBNOCXCCD-CQSZACIVSA-N 2 1 280.481 3.972 20 0 CHADMP Cc1ccc([C@@H](C)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000628252095 1119761878 /nfs/dbraw/zinc/76/18/78/1119761878.db2.gz HZWZWWGIEXCHBI-WMZOPIPTSA-N 2 1 274.452 3.515 20 0 CHADMP Cc1ccc([C@H](C)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000628252092 1119761982 /nfs/dbraw/zinc/76/19/82/1119761982.db2.gz HZWZWWGIEXCHBI-AEFFLSMTSA-N 2 1 274.452 3.515 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000300270417 1119765338 /nfs/dbraw/zinc/76/53/38/1119765338.db2.gz GITDSRGOXANOSE-NVXWUHKLSA-N 2 1 292.854 3.612 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000300270417 1119765342 /nfs/dbraw/zinc/76/53/42/1119765342.db2.gz GITDSRGOXANOSE-NVXWUHKLSA-N 2 1 292.854 3.612 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)[C@@H]1C[C@H]1C ZINC000414066040 1119878744 /nfs/dbraw/zinc/87/87/44/1119878744.db2.gz OZMPXNWEULHOIN-RVKKMQEKSA-N 2 1 274.452 3.661 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)[C@@H]1CC1(C)C ZINC000414111331 1119901972 /nfs/dbraw/zinc/90/19/72/1119901972.db2.gz IYKZWWOTWWFCER-JYJNAYRXSA-N 2 1 266.473 3.521 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)[C@H]1CC1(C)C ZINC000414111332 1119902055 /nfs/dbraw/zinc/90/20/55/1119902055.db2.gz IYKZWWOTWWFCER-OAGGEKHMSA-N 2 1 266.473 3.521 20 0 CHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000414184862 1119930572 /nfs/dbraw/zinc/93/05/72/1119930572.db2.gz OOKAAPRQWTZBLG-DYVFJYSZSA-N 2 1 292.854 3.649 20 0 CHADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cc(F)ccc1F ZINC000414187595 1119931882 /nfs/dbraw/zinc/93/18/82/1119931882.db2.gz QCRDIGKFVIHEAZ-GUYCJALGSA-N 2 1 296.405 3.737 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000414186897 1119932127 /nfs/dbraw/zinc/93/21/27/1119932127.db2.gz PQJRBPJIWIWSPW-SJORKVTESA-N 2 1 274.452 3.686 20 0 CHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000414196847 1119934301 /nfs/dbraw/zinc/93/43/01/1119934301.db2.gz VLDSCUZMTSLWML-KDOFPFPSSA-N 2 1 290.426 3.525 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)c(Cl)c1 ZINC000414203404 1119936069 /nfs/dbraw/zinc/93/60/69/1119936069.db2.gz ZYXTZUOFKKPZSO-QWHCGFSZSA-N 2 1 298.833 3.862 20 0 CHADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000300308391 1119936835 /nfs/dbraw/zinc/93/68/35/1119936835.db2.gz IWRRPFUUXYSGQF-BBWFWOEESA-N 2 1 266.473 3.523 20 0 CHADMP Cc1ccc(C)c([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000414203358 1119937649 /nfs/dbraw/zinc/93/76/49/1119937649.db2.gz ZXJGYYLGYUOLGO-SJORKVTESA-N 2 1 274.452 3.686 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(C)s1 ZINC000647544365 1120004013 /nfs/dbraw/zinc/00/40/13/1120004013.db2.gz ZMGVUELCTMYLNN-HOTGVXAUSA-N 2 1 292.492 3.577 20 0 CHADMP C[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000187363910 1120018386 /nfs/dbraw/zinc/01/83/86/1120018386.db2.gz AKZHTOMUPPLXEV-KEYYUXOJSA-N 2 1 294.870 3.858 20 0 CHADMP C[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000187363910 1120018391 /nfs/dbraw/zinc/01/83/91/1120018391.db2.gz AKZHTOMUPPLXEV-KEYYUXOJSA-N 2 1 294.870 3.858 20 0 CHADMP C[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000187363910 1120018396 /nfs/dbraw/zinc/01/83/96/1120018396.db2.gz AKZHTOMUPPLXEV-KEYYUXOJSA-N 2 1 294.870 3.858 20 0 CHADMP C[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000187363910 1120018401 /nfs/dbraw/zinc/01/84/01/1120018401.db2.gz AKZHTOMUPPLXEV-KEYYUXOJSA-N 2 1 294.870 3.858 20 0 CHADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657760 1120065626 /nfs/dbraw/zinc/06/56/26/1120065626.db2.gz YGQHFTCKSTXLPU-HOCLYGCPSA-N 2 1 294.870 3.593 20 0 CHADMP CC1(C)CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903109924 1120070877 /nfs/dbraw/zinc/07/08/77/1120070877.db2.gz JLDDQRNTUCBPQK-CVGRLMLNSA-N 2 1 276.468 3.703 20 0 CHADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Cl)cc3ccccc32)C1 ZINC000903447624 1120109089 /nfs/dbraw/zinc/10/90/89/1120109089.db2.gz ZZFFHKZQVQWAAZ-GXTWGEPZSA-N 2 1 288.822 3.662 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccoc1 ZINC000378160161 1120111747 /nfs/dbraw/zinc/11/17/47/1120111747.db2.gz IDTAPJPHPWDMBU-AEFFLSMTSA-N 2 1 298.430 3.842 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccoc1 ZINC000378160161 1120111749 /nfs/dbraw/zinc/11/17/49/1120111749.db2.gz IDTAPJPHPWDMBU-AEFFLSMTSA-N 2 1 298.430 3.842 20 0 CHADMP CC[C@H](C)C[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000540067759 1120111899 /nfs/dbraw/zinc/11/18/99/1120111899.db2.gz UGYUYFGZLYKNTJ-SCTDSRPQSA-N 2 1 288.479 3.923 20 0 CHADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000353309475 1120123036 /nfs/dbraw/zinc/12/30/36/1120123036.db2.gz CKBQWISQLXZNCZ-CHWSQXEVSA-N 2 1 276.415 3.520 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@H](CCC)Cc1ccccc1 ZINC000414814215 1120126812 /nfs/dbraw/zinc/12/68/12/1120126812.db2.gz NLVJPAOYYQPGMA-IAGOWNOFSA-N 2 1 262.441 3.505 20 0 CHADMP Cc1ccccc1C1CC([NH2+][C@H](C)C[N@H+](C)C(C)C)C1 ZINC000312291517 1120136071 /nfs/dbraw/zinc/13/60/71/1120136071.db2.gz BALGFMIYMNKLKZ-KLAILNCOSA-N 2 1 274.452 3.559 20 0 CHADMP Cc1ccccc1C1CC([NH2+][C@H](C)C[N@@H+](C)C(C)C)C1 ZINC000312291517 1120136073 /nfs/dbraw/zinc/13/60/73/1120136073.db2.gz BALGFMIYMNKLKZ-KLAILNCOSA-N 2 1 274.452 3.559 20 0 CHADMP CCCC[C@H](C)[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000468556483 1120136669 /nfs/dbraw/zinc/13/66/69/1120136669.db2.gz TVHGCSQLPRVOMS-INIZCTEOSA-N 2 1 296.499 3.578 20 0 CHADMP c1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000378871549 1120137257 /nfs/dbraw/zinc/13/72/57/1120137257.db2.gz OWUWEBILHFKAMV-YRPNKDGESA-N 2 1 298.474 3.929 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2c(c1)CCCC2 ZINC000378880800 1120137261 /nfs/dbraw/zinc/13/72/61/1120137261.db2.gz GHQGOGPEJREOJE-BEVDRBHNSA-N 2 1 298.474 3.843 20 0 CHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000379038444 1120184021 /nfs/dbraw/zinc/18/40/21/1120184021.db2.gz JHTRJZFYHZQSIJ-TXPKVOOTSA-N 2 1 286.463 3.675 20 0 CHADMP CC[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000020088949 1120195538 /nfs/dbraw/zinc/19/55/38/1120195538.db2.gz RZKPHBYIQLMNOD-JKSUJKDBSA-N 2 1 274.452 3.675 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CC2CCC1CC2 ZINC000394296670 1120218053 /nfs/dbraw/zinc/21/80/53/1120218053.db2.gz BDHPQHSFUXZMHX-JASIWFLSSA-N 2 1 290.495 3.806 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CC2CCC1CC2 ZINC000394296670 1120218054 /nfs/dbraw/zinc/21/80/54/1120218054.db2.gz BDHPQHSFUXZMHX-JASIWFLSSA-N 2 1 290.495 3.806 20 0 CHADMP CCCC[C@H](CC)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560760 1128899975 /nfs/dbraw/zinc/89/99/75/1128899975.db2.gz PIRNOPOJWYLQFK-XYTVBORESA-N 2 1 266.473 3.808 20 0 CHADMP CC[C@H](CC(F)F)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000659876069 1120240543 /nfs/dbraw/zinc/24/05/43/1120240543.db2.gz ALJLWQCAKMHBGD-CQSZACIVSA-N 2 1 290.442 3.720 20 0 CHADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)nc2)CC1 ZINC000179115274 1120241183 /nfs/dbraw/zinc/24/11/83/1120241183.db2.gz PUNRVQBRSCGIBR-ZDUSSCGKSA-N 2 1 295.858 3.650 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000338773243 1120293319 /nfs/dbraw/zinc/29/33/19/1120293319.db2.gz DEBVLUADTAWQIL-YOEHRIQHSA-N 2 1 277.456 3.632 20 0 CHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC000499631655 1120372890 /nfs/dbraw/zinc/37/28/90/1120372890.db2.gz COAOCOPXXRLLOK-IAGOWNOFSA-N 2 1 298.515 3.539 20 0 CHADMP CCC1(CC)CCC([NH2+]C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001200366125 1120378176 /nfs/dbraw/zinc/37/81/76/1120378176.db2.gz QZXPFPBJSWZDAT-OAHLLOKOSA-N 2 1 266.473 3.667 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCC23CCCCC3)C1 ZINC000313042173 1120381904 /nfs/dbraw/zinc/38/19/04/1120381904.db2.gz QNCIMRXVMPZCBT-IRXDYDNUSA-N 2 1 278.484 3.809 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC[C@H]1CCc2ccccc21 ZINC000660119215 1120386279 /nfs/dbraw/zinc/38/62/79/1120386279.db2.gz ZFEFSBHQEDGIKK-GOSISDBHSA-N 2 1 297.446 3.634 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC[C@H]1CCc2ccccc21 ZINC000660119215 1120386283 /nfs/dbraw/zinc/38/62/83/1120386283.db2.gz ZFEFSBHQEDGIKK-GOSISDBHSA-N 2 1 297.446 3.634 20 0 CHADMP CCC[C@H]([NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)C1CCCC1 ZINC000313413513 1120396267 /nfs/dbraw/zinc/39/62/67/1120396267.db2.gz QQHKJHNNJSATNL-RDJZCZTQSA-N 2 1 266.473 3.665 20 0 CHADMP CCC[C@H]([NH2+]CCCCn1cc[nH+]c1C)[C@@H]1CC1(C)C ZINC000417306400 1120424694 /nfs/dbraw/zinc/42/46/94/1120424694.db2.gz GDKYBTOGNNZFHS-HOTGVXAUSA-N 2 1 277.456 3.776 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]C1CCC(C2CCC2)CC1 ZINC000657319154 1120434590 /nfs/dbraw/zinc/43/45/90/1120434590.db2.gz TXBIAYGEQNUTLC-UHFFFAOYSA-N 2 1 275.440 3.530 20 0 CHADMP C[C@@H]([NH2+]CCCC1CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660255339 1120467967 /nfs/dbraw/zinc/46/79/67/1120467967.db2.gz BIKHNUHUVDQPIM-WBVHZDCISA-N 2 1 278.484 3.809 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256033 1120468603 /nfs/dbraw/zinc/46/86/03/1120468603.db2.gz IDOMVLYDEVXEOO-PNKHAZJDSA-N 2 1 290.495 3.665 20 0 CHADMP C[C@H]1CCc2ccccc2[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000651454312 1120491628 /nfs/dbraw/zinc/49/16/28/1120491628.db2.gz KCKWIAOTTMYASG-AQUVMHGZSA-N 2 1 284.447 3.525 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000543394388 1120506283 /nfs/dbraw/zinc/50/62/83/1120506283.db2.gz OAJHVDCEKVWGFG-YVSFHVDLSA-N 2 1 266.473 3.617 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000543394388 1120506287 /nfs/dbraw/zinc/50/62/87/1120506287.db2.gz OAJHVDCEKVWGFG-YVSFHVDLSA-N 2 1 266.473 3.617 20 0 CHADMP CC[C@@H]1CCC[C@H](C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000543394388 1120506277 /nfs/dbraw/zinc/50/62/77/1120506277.db2.gz OAJHVDCEKVWGFG-YVSFHVDLSA-N 2 1 266.473 3.617 20 0 CHADMP CC[C@@H]1CCC[C@H](C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000543394388 1120506281 /nfs/dbraw/zinc/50/62/81/1120506281.db2.gz OAJHVDCEKVWGFG-YVSFHVDLSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1csc(Cl)c1 ZINC000191166120 1120515744 /nfs/dbraw/zinc/51/57/44/1120515744.db2.gz YVPKEETZIMREKI-GHMZBOCLSA-N 2 1 284.856 3.536 20 0 CHADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094339023 1120533775 /nfs/dbraw/zinc/53/37/75/1120533775.db2.gz DJNCNITVVJWAKN-GLJUWKHASA-N 2 1 268.404 3.570 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCCC1CCC1 ZINC000660417401 1120589815 /nfs/dbraw/zinc/58/98/15/1120589815.db2.gz YHBWCPRPMCXAGO-UHFFFAOYSA-N 2 1 277.456 3.738 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCCC1CCC1 ZINC000660417401 1120589819 /nfs/dbraw/zinc/58/98/19/1120589819.db2.gz YHBWCPRPMCXAGO-UHFFFAOYSA-N 2 1 277.456 3.738 20 0 CHADMP C[C@@H]1CCC[N@H+]1Cc1cccc(-c2cccc3c2C[NH2+]C3)c1 ZINC000629702521 1128927876 /nfs/dbraw/zinc/92/78/76/1128927876.db2.gz OWUKTLUXUWLKLW-OAHLLOKOSA-N 2 1 292.426 3.941 20 0 CHADMP CC(C)C[C@H]1CCC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)C1 ZINC000226334891 1120611760 /nfs/dbraw/zinc/61/17/60/1120611760.db2.gz PBGOESCDZTYCDD-IAGOWNOFSA-N 2 1 268.489 3.911 20 0 CHADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429039541 1120625963 /nfs/dbraw/zinc/62/59/63/1120625963.db2.gz ILABLOHDDVEIDQ-OXJNMPFZSA-N 2 1 294.442 3.928 20 0 CHADMP C[C@@H](c1ccc2ccccc2c1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429039541 1120625965 /nfs/dbraw/zinc/62/59/65/1120625965.db2.gz ILABLOHDDVEIDQ-OXJNMPFZSA-N 2 1 294.442 3.928 20 0 CHADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC[C@H]1CCc3ccccc31)C2 ZINC000660660266 1120674582 /nfs/dbraw/zinc/67/45/82/1120674582.db2.gz FLWNSAPRNDBHSI-QUCCMNQESA-N 2 1 298.474 3.524 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660657040 1120674714 /nfs/dbraw/zinc/67/47/14/1120674714.db2.gz ZOFJXLKSSXBVKM-RHSMWYFYSA-N 2 1 292.854 3.819 20 0 CHADMP FC(F)c1cccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC000228078571 1120688567 /nfs/dbraw/zinc/68/85/67/1120688567.db2.gz GKNGXUICDQMBAA-QGZVFWFLSA-N 2 1 294.389 3.590 20 0 CHADMP FC(F)c1cccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC000228078571 1120688570 /nfs/dbraw/zinc/68/85/70/1120688570.db2.gz GKNGXUICDQMBAA-QGZVFWFLSA-N 2 1 294.389 3.590 20 0 CHADMP c1ccc(C2CC2)c(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC000228079612 1120720255 /nfs/dbraw/zinc/72/02/55/1120720255.db2.gz RFEBORAOZPNMMU-LJQANCHMSA-N 2 1 284.447 3.530 20 0 CHADMP C[C@@H]1CCCCC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000651725099 1120728288 /nfs/dbraw/zinc/72/82/88/1120728288.db2.gz SJMKXKNEMIOVOH-ZCRFILTFSA-N 2 1 264.457 3.560 20 0 CHADMP C[C@@H]1CCCCC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000651725099 1120728292 /nfs/dbraw/zinc/72/82/92/1120728292.db2.gz SJMKXKNEMIOVOH-ZCRFILTFSA-N 2 1 264.457 3.560 20 0 CHADMP CC[C@H](C)[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000537939136 1120741571 /nfs/dbraw/zinc/74/15/71/1120741571.db2.gz DVPHDMGOGUXGCT-XYJFISCASA-N 2 1 274.452 3.675 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661437972 1120764339 /nfs/dbraw/zinc/76/43/39/1120764339.db2.gz QVFKFBKBZJQEJU-QGZVFWFLSA-N 2 1 299.418 3.792 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661437972 1120764344 /nfs/dbraw/zinc/76/43/44/1120764344.db2.gz QVFKFBKBZJQEJU-QGZVFWFLSA-N 2 1 299.418 3.792 20 0 CHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCCNc2ccccc21 ZINC000651864878 1120766993 /nfs/dbraw/zinc/76/69/93/1120766993.db2.gz HSUOOLWDIZJOLZ-SFHVURJKSA-N 2 1 289.467 3.501 20 0 CHADMP CCCC[C@H](CC)C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000228103272 1120806762 /nfs/dbraw/zinc/80/67/62/1120806762.db2.gz KAYYHDRGNXERAT-DLBZAZTESA-N 2 1 266.473 3.668 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cc3c(ccc(C)c3C)[nH]2)C1 ZINC000473146737 1120817255 /nfs/dbraw/zinc/81/72/55/1120817255.db2.gz VMVMUWKXEZVNOK-INIZCTEOSA-N 2 1 299.462 3.558 20 0 CHADMP Cc1ccc2[nH]c(C[N@@H+](C)CC3CC[NH+](C)CC3)cc2c1C ZINC000473149777 1120820788 /nfs/dbraw/zinc/82/07/88/1120820788.db2.gz VIDXIHAEAOZZFN-UHFFFAOYSA-N 2 1 299.462 3.558 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCC2CCC2)C3)cc1 ZINC000779436826 1128943683 /nfs/dbraw/zinc/94/36/83/1128943683.db2.gz JUPUUFJUBZUTPW-OWZKRDHZSA-N 2 1 298.474 3.962 20 0 CHADMP CC(C)(C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)CC(F)F ZINC000925734736 1120841380 /nfs/dbraw/zinc/84/13/80/1120841380.db2.gz UIGCEXMVTMNCMT-HUUCEWRRSA-N 2 1 296.405 3.751 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccccc1C ZINC000164670585 1120848855 /nfs/dbraw/zinc/84/88/55/1120848855.db2.gz PCSBIYDXFOPRAY-OAHLLOKOSA-N 2 1 271.408 3.631 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000164671081 1120848926 /nfs/dbraw/zinc/84/89/26/1120848926.db2.gz NZPBGNPRIJLHSX-INIZCTEOSA-N 2 1 285.435 3.939 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC2CC[NH2+]CC2)CC(C)(C)C1 ZINC000709626278 1120850556 /nfs/dbraw/zinc/85/05/56/1120850556.db2.gz AEVUQAULKUFHOD-GDBMZVCRSA-N 2 1 266.473 3.523 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCC(C)(C)C[C@H]2C)C1 ZINC000252117370 1120883833 /nfs/dbraw/zinc/88/38/33/1120883833.db2.gz KJYLCIXIBPTWOC-OAGGEKHMSA-N 2 1 266.473 3.521 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252786822 1120884809 /nfs/dbraw/zinc/88/48/09/1120884809.db2.gz VUAKBSMIFONPSO-LZWOXQAQSA-N 2 1 268.404 3.570 20 0 CHADMP c1ccc([C@H]2CCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000662248788 1120910957 /nfs/dbraw/zinc/91/09/57/1120910957.db2.gz JQTKERHFLLCMEP-HXUWFJFHSA-N 2 1 292.426 3.669 20 0 CHADMP CC[C@@H](CC(F)F)C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000662273119 1120916942 /nfs/dbraw/zinc/91/69/42/1120916942.db2.gz TXJZCSUPZLFMPW-AWEZNQCLSA-N 2 1 284.394 3.519 20 0 CHADMP C[C@H](c1ccccc1F)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295071 1120920833 /nfs/dbraw/zinc/92/08/33/1120920833.db2.gz DVZSYYILRCWTDN-GDBMZVCRSA-N 2 1 290.426 3.598 20 0 CHADMP CC[C@H](c1ccc(Br)cc1)[N@H+](C)CC(C)(C)[NH3+] ZINC000662292485 1120921027 /nfs/dbraw/zinc/92/10/27/1120921027.db2.gz ITZDKMZBRWGPRP-CYBMUJFWSA-N 2 1 299.256 3.569 20 0 CHADMP CC[C@H](c1ccc(Br)cc1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662292485 1120921028 /nfs/dbraw/zinc/92/10/28/1120921028.db2.gz ITZDKMZBRWGPRP-CYBMUJFWSA-N 2 1 299.256 3.569 20 0 CHADMP C[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297267 1120921598 /nfs/dbraw/zinc/92/15/98/1120921598.db2.gz OWSPVMYUVLZKNH-WMLDXEAASA-N 2 1 290.426 3.598 20 0 CHADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296527 1120921673 /nfs/dbraw/zinc/92/16/73/1120921673.db2.gz LRBHRUUGSDBYJD-WMLDXEAASA-N 2 1 290.426 3.598 20 0 CHADMP CC(C)Oc1ccc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000221921549 1120937748 /nfs/dbraw/zinc/93/77/48/1120937748.db2.gz BDIXIFKGADSHCT-INIZCTEOSA-N 2 1 292.467 3.855 20 0 CHADMP CC(C)Oc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000221921549 1120937752 /nfs/dbraw/zinc/93/77/52/1120937752.db2.gz BDIXIFKGADSHCT-INIZCTEOSA-N 2 1 292.467 3.855 20 0 CHADMP c1ccc([C@@H]2C[C@H]2C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663344233 1120940665 /nfs/dbraw/zinc/94/06/65/1120940665.db2.gz PSHPKJLUBUDFAN-HOJAQTOUSA-N 2 1 298.474 3.502 20 0 CHADMP CC1(C)[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)[C@@H]2CCC[C@@H]21 ZINC000663467271 1120980835 /nfs/dbraw/zinc/98/08/35/1120980835.db2.gz ZTPINUKUFKJUEA-ZJPYXAASSA-N 2 1 290.495 3.523 20 0 CHADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467307 1120982103 /nfs/dbraw/zinc/98/21/03/1120982103.db2.gz DTSHZNQNHRDYSR-SYNHAJSKSA-N 2 1 298.474 3.632 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663468830 1120983408 /nfs/dbraw/zinc/98/34/08/1120983408.db2.gz MXIBFIPHVBELNQ-HOCLYGCPSA-N 2 1 292.492 3.829 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccs1 ZINC000663469940 1120984704 /nfs/dbraw/zinc/98/47/04/1120984704.db2.gz RTRHVCPWJAATJV-HIFRSBDPSA-N 2 1 278.465 3.521 20 0 CHADMP C[C@@H](CC1CCCC1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663470222 1120984802 /nfs/dbraw/zinc/98/48/02/1120984802.db2.gz TTXJHVYICVPVLQ-MAUKXSAKSA-N 2 1 278.484 3.667 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](C)C[C@H]1C ZINC001167824680 1120998016 /nfs/dbraw/zinc/99/80/16/1120998016.db2.gz FEEULBJOIWSSAK-OWCLPIDISA-N 2 1 254.462 3.617 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1ccsc1 ZINC001167827849 1121004528 /nfs/dbraw/zinc/00/45/28/1121004528.db2.gz YIWUGZHVUPSHET-AWEZNQCLSA-N 2 1 268.470 3.690 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H]1c1ccccn1 ZINC001167827912 1121005758 /nfs/dbraw/zinc/00/57/58/1121005758.db2.gz ZLFQQNQZAJFFFT-FUHWJXTLSA-N 2 1 289.467 3.729 20 0 CHADMP CC[C@@H]1CCC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C1 ZINC001167837816 1121040357 /nfs/dbraw/zinc/04/03/57/1121040357.db2.gz MVMJVUSIIPUTMN-JKSUJKDBSA-N 2 1 254.462 3.619 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H]1C(C)C ZINC001167839741 1121043730 /nfs/dbraw/zinc/04/37/30/1121043730.db2.gz BMRRCLITXVKIMD-HZPDHXFCSA-N 2 1 254.462 3.617 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H]1C(C)C ZINC001167839738 1121044627 /nfs/dbraw/zinc/04/46/27/1121044627.db2.gz BMRRCLITXVKIMD-HOTGVXAUSA-N 2 1 254.462 3.617 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](Cc1ccco1)C1CC1 ZINC001167840668 1121052245 /nfs/dbraw/zinc/05/22/45/1121052245.db2.gz HFDHENHJMKNVKY-OAHLLOKOSA-N 2 1 278.440 3.755 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](CC2CCC2)c2ccccc2)C1 ZINC000344035136 1121061777 /nfs/dbraw/zinc/06/17/77/1121061777.db2.gz PYQHZNZKUQRKSI-IEBWSBKVSA-N 2 1 286.463 3.849 20 0 CHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3CC=CCC3)C2)CC1 ZINC000512178299 1121142610 /nfs/dbraw/zinc/14/26/10/1121142610.db2.gz IVFGOAWYDCSNPR-OALUTQOASA-N 2 1 290.495 3.787 20 0 CHADMP CC[NH+]1CCC([NH2+]C(C2CCCC2)C2CCCC2)CC1 ZINC000766064838 1121167742 /nfs/dbraw/zinc/16/77/42/1121167742.db2.gz LUYFWEHXEKDBRS-UHFFFAOYSA-N 2 1 278.484 3.809 20 0 CHADMP CC(C)[N@H+]1CC[C@H](CNc2cc[nH+]c3cc(F)ccc23)C1 ZINC000674931477 1121199614 /nfs/dbraw/zinc/19/96/14/1121199614.db2.gz VMRFGLLGUBUUME-CYBMUJFWSA-N 2 1 287.382 3.516 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@H+](C/C(C)=C/c2ccccc2)C1 ZINC000093693406 1128970418 /nfs/dbraw/zinc/97/04/18/1128970418.db2.gz QMJLMSVTUYXMFA-XEYRCQSKSA-N 2 1 286.463 3.754 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C/C(C)=C/c2ccccc2)C1 ZINC000093693406 1128970420 /nfs/dbraw/zinc/97/04/20/1128970420.db2.gz QMJLMSVTUYXMFA-XEYRCQSKSA-N 2 1 286.463 3.754 20 0 CHADMP CC(C)C[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512334060 1121272274 /nfs/dbraw/zinc/27/22/74/1121272274.db2.gz ZFEWIPSLUFAGKA-XHSDSOJGSA-N 2 1 266.473 3.664 20 0 CHADMP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3coc4ccccc34)C2)C1 ZINC001279317066 1121313980 /nfs/dbraw/zinc/31/39/80/1121313980.db2.gz KTDDUWVVQOFBQL-LJQANCHMSA-N 2 1 298.430 3.741 20 0 CHADMP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3coc4ccccc34)C2)C1 ZINC001279317066 1121313991 /nfs/dbraw/zinc/31/39/91/1121313991.db2.gz KTDDUWVVQOFBQL-LJQANCHMSA-N 2 1 298.430 3.741 20 0 CHADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3coc4ccccc34)C2)C1 ZINC001279317066 1121314001 /nfs/dbraw/zinc/31/40/01/1121314001.db2.gz KTDDUWVVQOFBQL-LJQANCHMSA-N 2 1 298.430 3.741 20 0 CHADMP CC[C@@H]1CCC[C@H](C)[N@H+]1CCCCn1ccnc1C ZINC000662160988 1121334297 /nfs/dbraw/zinc/33/42/97/1121334297.db2.gz PFEFQHPWBNDLEV-GOEBONIOSA-N 2 1 263.429 3.625 20 0 CHADMP CC[C@@H]1CCC[C@H](C)[N@@H+]1CCCCn1cc[nH+]c1C ZINC000662160988 1121334305 /nfs/dbraw/zinc/33/43/05/1121334305.db2.gz PFEFQHPWBNDLEV-GOEBONIOSA-N 2 1 263.429 3.625 20 0 CHADMP CC[C@@H]1CCC[C@H](C)[N@H+]1CCCCn1cc[nH+]c1C ZINC000662160988 1121334315 /nfs/dbraw/zinc/33/43/15/1121334315.db2.gz PFEFQHPWBNDLEV-GOEBONIOSA-N 2 1 263.429 3.625 20 0 CHADMP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000675752506 1121351435 /nfs/dbraw/zinc/35/14/35/1121351435.db2.gz XACZZJFDWSMLLI-YRPNKDGESA-N 2 1 298.474 3.614 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C(C)(C)c1ccccc1 ZINC000675752171 1121352094 /nfs/dbraw/zinc/35/20/94/1121352094.db2.gz MFKPHWIJNMLTTG-SZMVWBNQSA-N 2 1 286.463 3.569 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000675786798 1121363104 /nfs/dbraw/zinc/36/31/04/1121363104.db2.gz DNNHNFPYKQVMGE-SJLPKXTDSA-N 2 1 288.479 3.923 20 0 CHADMP CCCC[C@H](CCC)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675883405 1121381913 /nfs/dbraw/zinc/38/19/13/1121381913.db2.gz ZUFMVNLTXAJUGO-WMZOPIPTSA-N 2 1 296.499 3.578 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C3CC4(CCC4)C3)C2)cc1 ZINC000676490504 1121436013 /nfs/dbraw/zinc/43/60/13/1121436013.db2.gz PUMIVTZKDWGUDL-SFHVURJKSA-N 2 1 298.474 3.821 20 0 CHADMP Cc1cccc(C)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000676712970 1121459087 /nfs/dbraw/zinc/45/90/87/1121459087.db2.gz VOFGPENHWNSPPE-PXNSSMCTSA-N 2 1 298.474 3.752 20 0 CHADMP Cc1cccc(C)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000676712970 1121459090 /nfs/dbraw/zinc/45/90/90/1121459090.db2.gz VOFGPENHWNSPPE-PXNSSMCTSA-N 2 1 298.474 3.752 20 0 CHADMP CCCC[C@H](CC)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512557355 1121471196 /nfs/dbraw/zinc/47/11/96/1121471196.db2.gz PSUASZYXOSEBBO-PMRDEQMMSA-N 2 1 266.473 3.760 20 0 CHADMP CCCC[C@H](CC)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000512557355 1121471197 /nfs/dbraw/zinc/47/11/97/1121471197.db2.gz PSUASZYXOSEBBO-PMRDEQMMSA-N 2 1 266.473 3.760 20 0 CHADMP CCCC[C@H](CC)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000512557355 1121471199 /nfs/dbraw/zinc/47/11/99/1121471199.db2.gz PSUASZYXOSEBBO-PMRDEQMMSA-N 2 1 266.473 3.760 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512642955 1121505117 /nfs/dbraw/zinc/50/51/17/1121505117.db2.gz UNTLLEZRMNUHEZ-YHUYVZNPSA-N 2 1 298.474 3.533 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512642952 1121505740 /nfs/dbraw/zinc/50/57/40/1121505740.db2.gz UNTLLEZRMNUHEZ-HKUYMTLNSA-N 2 1 298.474 3.533 20 0 CHADMP C[N@@H+](Cc1ccccc1Nc1[nH]cc[nH+]1)C1CCCCC1 ZINC001176084848 1121535542 /nfs/dbraw/zinc/53/55/42/1121535542.db2.gz FMUJGMXNMCPIBN-UHFFFAOYSA-N 2 1 284.407 3.918 20 0 CHADMP CCS[C@H]1CC[C@H]([N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923315182 1121557303 /nfs/dbraw/zinc/55/73/03/1121557303.db2.gz QZYIQFDIMZUDCM-QHEDDYRISA-N 2 1 296.524 3.513 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000429439632 1121582710 /nfs/dbraw/zinc/58/27/10/1121582710.db2.gz ATRXCBNGVQJMNE-NZSAHSFTSA-N 2 1 298.474 3.819 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000429439632 1121582714 /nfs/dbraw/zinc/58/27/14/1121582714.db2.gz ATRXCBNGVQJMNE-NZSAHSFTSA-N 2 1 298.474 3.819 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]1C ZINC000322326218 1121610293 /nfs/dbraw/zinc/61/02/93/1121610293.db2.gz KMEZDAHZNGNRIB-JFRXWTBNSA-N 2 1 286.463 3.533 20 0 CHADMP CCC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCC1 ZINC000322734373 1121612367 /nfs/dbraw/zinc/61/23/67/1121612367.db2.gz WPWXFGZMACBOAK-HMQMGEFJSA-N 2 1 264.457 3.560 20 0 CHADMP CCC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCC1 ZINC000322734373 1121612371 /nfs/dbraw/zinc/61/23/71/1121612371.db2.gz WPWXFGZMACBOAK-HMQMGEFJSA-N 2 1 264.457 3.560 20 0 CHADMP C[C@@H]1c2sccc2CC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000712259271 1121623571 /nfs/dbraw/zinc/62/35/71/1121623571.db2.gz AJMDMWDGSPALDT-WPXLMEDKSA-N 2 1 290.476 3.588 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc2cccccc1-2 ZINC001237186416 1128998298 /nfs/dbraw/zinc/99/82/98/1128998298.db2.gz ZWKKFLRWODTIKZ-UHFFFAOYSA-N 2 1 270.420 3.565 20 0 CHADMP CC(C)[C@H]1CC[C@H]1[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000514096500 1121679917 /nfs/dbraw/zinc/67/99/17/1121679917.db2.gz WJQUAJJKVDGULC-XMTFNYHQSA-N 2 1 280.500 3.769 20 0 CHADMP C1CCC2(C1)CCC([N@H+]1CC[C@@]3(C1)CCC[NH2+]C3)CC2 ZINC000709972776 1121692136 /nfs/dbraw/zinc/69/21/36/1121692136.db2.gz XTJVRUIUNJFPIN-SFHVURJKSA-N 2 1 276.468 3.565 20 0 CHADMP CC[C@@H](c1ccccc1)[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001177008934 1121704858 /nfs/dbraw/zinc/70/48/58/1121704858.db2.gz RVEUDESWOVLHAB-SLFFLAALSA-N 2 1 298.474 3.946 20 0 CHADMP CC[C@@H](c1ccccc1)[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001177008934 1121704864 /nfs/dbraw/zinc/70/48/64/1121704864.db2.gz RVEUDESWOVLHAB-SLFFLAALSA-N 2 1 298.474 3.946 20 0 CHADMP CC[C@@H](c1ccccc1)[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001177008934 1121704869 /nfs/dbraw/zinc/70/48/69/1121704869.db2.gz RVEUDESWOVLHAB-SLFFLAALSA-N 2 1 298.474 3.946 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206297683 1121720515 /nfs/dbraw/zinc/72/05/15/1121720515.db2.gz ZZQPSTIMOJSKDH-SJORKVTESA-N 2 1 266.473 3.820 20 0 CHADMP CC(C)[C@@H](C[NH2+][C@@H]1CC[C@@H](C)SC1)[NH+]1CCC(C)CC1 ZINC001177257230 1121721679 /nfs/dbraw/zinc/72/16/79/1121721679.db2.gz SFQNQHJRUZPJCY-BRWVUGGUSA-N 2 1 298.540 3.617 20 0 CHADMP C[N@@H+]1CCCC12CC[NH+](CCSC1CCCCC1)CC2 ZINC000500973385 1121724514 /nfs/dbraw/zinc/72/45/14/1121724514.db2.gz BZRNKFUATHLDOB-UHFFFAOYSA-N 2 1 296.524 3.613 20 0 CHADMP C[N@H+]1CCCC12CC[NH+](CCSC1CCCCC1)CC2 ZINC000500973385 1121724523 /nfs/dbraw/zinc/72/45/23/1121724523.db2.gz BZRNKFUATHLDOB-UHFFFAOYSA-N 2 1 296.524 3.613 20 0 CHADMP Cc1csc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1Cl ZINC001206303030 1121728995 /nfs/dbraw/zinc/72/89/95/1121728995.db2.gz AIIOCFMHBLCZIB-CQSZACIVSA-N 2 1 286.872 3.661 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC001177912275 1121756508 /nfs/dbraw/zinc/75/65/08/1121756508.db2.gz ORFGKZYGKOUTHF-INIZCTEOSA-N 2 1 277.456 3.778 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+]1CCC[C@@](C)([NH3+])C1 ZINC001204940484 1121763051 /nfs/dbraw/zinc/76/30/51/1121763051.db2.gz XZOQHMMNFOKHQL-MRXNPFEDSA-N 2 1 274.433 3.523 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+]1CCC[C@@](C)([NH3+])C1 ZINC001204940484 1121763056 /nfs/dbraw/zinc/76/30/56/1121763056.db2.gz XZOQHMMNFOKHQL-MRXNPFEDSA-N 2 1 274.433 3.523 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000285871957 1121763823 /nfs/dbraw/zinc/76/38/23/1121763823.db2.gz YGAJNWSNCRUHMO-CRAIPNDOSA-N 2 1 283.419 3.665 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000285871957 1121763828 /nfs/dbraw/zinc/76/38/28/1121763828.db2.gz YGAJNWSNCRUHMO-CRAIPNDOSA-N 2 1 283.419 3.665 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(Cl)c1 ZINC001206312064 1121764082 /nfs/dbraw/zinc/76/40/82/1121764082.db2.gz YTZXTGGQYJVGJU-INIZCTEOSA-N 2 1 280.843 3.599 20 0 CHADMP Clc1ccc2c(NCC[NH+]3CCCCC3)cc[nH+]c2c1 ZINC000027558125 1121775903 /nfs/dbraw/zinc/77/59/03/1121775903.db2.gz DKMQJBJEDYVQCF-UHFFFAOYSA-N 2 1 289.810 3.786 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc(C)c1Cl ZINC001206324821 1121776949 /nfs/dbraw/zinc/77/69/49/1121776949.db2.gz DORCQCQFWFVMOW-QGZVFWFLSA-N 2 1 294.870 3.908 20 0 CHADMP CCc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)ccc1Cl ZINC001206325803 1121782341 /nfs/dbraw/zinc/78/23/41/1121782341.db2.gz KFFXLJRMGMLIFQ-QGZVFWFLSA-N 2 1 294.870 3.853 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000261948185 1129008800 /nfs/dbraw/zinc/00/88/00/1129008800.db2.gz MQKIGCAOMSNKEK-OAHLLOKOSA-N 2 1 292.426 3.688 20 0 CHADMP CSc1cc(C)cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206326497 1121783372 /nfs/dbraw/zinc/78/33/72/1121783372.db2.gz OFVYWJGGUWFGQU-QGZVFWFLSA-N 2 1 292.492 3.668 20 0 CHADMP CCC[C@@H]([NH2+]C[C@H]1CC[N@H+](CCC)C1)c1cc(C)ccn1 ZINC000631573640 1129009049 /nfs/dbraw/zinc/00/90/49/1129009049.db2.gz ZYZDHXJWGCEKLM-IAGOWNOFSA-N 2 1 289.467 3.553 20 0 CHADMP CCC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCC)C1)c1cc(C)ccn1 ZINC000631573640 1129009051 /nfs/dbraw/zinc/00/90/51/1129009051.db2.gz ZYZDHXJWGCEKLM-IAGOWNOFSA-N 2 1 289.467 3.553 20 0 CHADMP COc1ccc2cc(C[N@H+]3CCCC[C@@H]3CC[NH3+])ccc2c1 ZINC000261985614 1129009646 /nfs/dbraw/zinc/00/96/46/1129009646.db2.gz SEASDHOSVDXOQU-GOSISDBHSA-N 2 1 298.430 3.552 20 0 CHADMP CC[N@@H+](Cc1cccc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000345187199 1121856592 /nfs/dbraw/zinc/85/65/92/1121856592.db2.gz IBDBLCJPXAFWLB-SFHVURJKSA-N 2 1 282.431 3.804 20 0 CHADMP C([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CCCCCC1 ZINC001179193087 1121861202 /nfs/dbraw/zinc/86/12/02/1121861202.db2.gz DHAAZYATLHGHBM-QGZVFWFLSA-N 2 1 278.484 3.953 20 0 CHADMP C([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)C1CCCCCC1 ZINC001179193087 1121861208 /nfs/dbraw/zinc/86/12/08/1121861208.db2.gz DHAAZYATLHGHBM-QGZVFWFLSA-N 2 1 278.484 3.953 20 0 CHADMP CC(C)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC001179680881 1121902078 /nfs/dbraw/zinc/90/20/78/1121902078.db2.gz DLPGENZRWCOZFP-UHFFFAOYSA-N 2 1 286.463 3.677 20 0 CHADMP Cc1cccc([C@H]2CCCCC[N@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC000647885994 1121917194 /nfs/dbraw/zinc/91/71/94/1121917194.db2.gz BCPUQGRKNJQZDG-FUHWJXTLSA-N 2 1 272.436 3.522 20 0 CHADMP C[C@H]([NH2+][C@H]1CCCC12CC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000631666380 1129019802 /nfs/dbraw/zinc/01/98/02/1129019802.db2.gz YARNRCNKTBMJQZ-UHOSZYNNSA-N 2 1 298.474 3.819 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@H](CC(C)C)C1 ZINC000509946620 1121982118 /nfs/dbraw/zinc/98/21/18/1121982118.db2.gz YBFMEKTYGABZRP-IAGOWNOFSA-N 2 1 277.456 3.776 20 0 CHADMP CCC1CCC([N@@H+](C)Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC001180386032 1121983451 /nfs/dbraw/zinc/98/34/51/1121983451.db2.gz JDGHKHJNXLXUPP-UHFFFAOYSA-N 2 1 298.434 3.668 20 0 CHADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CC[C@@H]1c1ccccc1 ZINC000420301210 1121998468 /nfs/dbraw/zinc/99/84/68/1121998468.db2.gz LDTOIKFEISHYPG-LMMKCTJWSA-N 2 1 286.463 3.502 20 0 CHADMP Cc1ccccc1[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420320585 1121999500 /nfs/dbraw/zinc/99/95/00/1121999500.db2.gz QRUWXCBBZLGNJV-SJLPKXTDSA-N 2 1 272.436 3.522 20 0 CHADMP CC(C)c1ccc([C@@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000420315645 1121999516 /nfs/dbraw/zinc/99/95/16/1121999516.db2.gz XBHDMSKGCQYNBP-MRXNPFEDSA-N 2 1 286.463 3.947 20 0 CHADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420311886 1122000213 /nfs/dbraw/zinc/00/02/13/1122000213.db2.gz WFMGLAZRIOIKLQ-OKZBNKHCSA-N 2 1 286.463 3.563 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420321536 1122000681 /nfs/dbraw/zinc/00/06/81/1122000681.db2.gz CPNDTAFRLHZNQK-RBSFLKMASA-N 2 1 292.854 3.723 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420326076 1122001839 /nfs/dbraw/zinc/00/18/39/1122001839.db2.gz JEXDLWAXVFTNFT-FVQBIDKESA-N 2 1 292.854 3.723 20 0 CHADMP CC(C)c1cccc2c1CC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001181409914 1122055944 /nfs/dbraw/zinc/05/59/44/1122055944.db2.gz HKNBMTYXBAGUHB-UHFFFAOYSA-N 2 1 286.463 3.510 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H]1C(C)=CCC[C@H]1C ZINC001181514773 1122060619 /nfs/dbraw/zinc/06/06/19/1122060619.db2.gz OEUZBNTVNCBOKM-SJORKVTESA-N 2 1 266.473 3.643 20 0 CHADMP Cc1ccccc1C(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000153261173 1129030878 /nfs/dbraw/zinc/03/08/78/1129030878.db2.gz IAFKTJFZJRWGAF-LZLYRXPVSA-N 2 1 288.479 3.591 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC001182115886 1122110277 /nfs/dbraw/zinc/11/02/77/1122110277.db2.gz VKMJOLAPPWBMCM-XHSDSOJGSA-N 2 1 268.489 3.911 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC001182115886 1122110286 /nfs/dbraw/zinc/11/02/86/1122110286.db2.gz VKMJOLAPPWBMCM-XHSDSOJGSA-N 2 1 268.489 3.911 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](CC)Cc1ccccc1 ZINC001182115414 1122110524 /nfs/dbraw/zinc/11/05/24/1122110524.db2.gz IMGLRLGUIKCQQO-SJLPKXTDSA-N 2 1 276.468 3.718 20 0 CHADMP C[N@@H+](CCCCCC[NH3+])Cc1ccc(Cl)cc1Cl ZINC000710800199 1122120875 /nfs/dbraw/zinc/12/08/75/1122120875.db2.gz SZZSXAGUJIFOBT-UHFFFAOYSA-N 2 1 289.250 3.944 20 0 CHADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000502693470 1122140779 /nfs/dbraw/zinc/14/07/79/1122140779.db2.gz UYKIFLZMCUGQET-SJORKVTESA-N 2 1 292.854 3.961 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000502693470 1122140781 /nfs/dbraw/zinc/14/07/81/1122140781.db2.gz UYKIFLZMCUGQET-SJORKVTESA-N 2 1 292.854 3.961 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000502693470 1122140786 /nfs/dbraw/zinc/14/07/86/1122140786.db2.gz UYKIFLZMCUGQET-SJORKVTESA-N 2 1 292.854 3.961 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000502693470 1122140788 /nfs/dbraw/zinc/14/07/88/1122140788.db2.gz UYKIFLZMCUGQET-SJORKVTESA-N 2 1 292.854 3.961 20 0 CHADMP C1=C[C@@H]([N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CCC1 ZINC000502737495 1122143506 /nfs/dbraw/zinc/14/35/06/1122143506.db2.gz DZFLJHQICGHAGU-QZTJIDSGSA-N 2 1 276.468 3.683 20 0 CHADMP CCCCC[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000503072935 1122166464 /nfs/dbraw/zinc/16/64/64/1122166464.db2.gz LOKKUDZGHJNISM-HZPDHXFCSA-N 2 1 252.446 3.515 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000272600011 1122207311 /nfs/dbraw/zinc/20/73/11/1122207311.db2.gz XRPFRIZNUPVOAM-SFHVURJKSA-N 2 1 299.393 3.556 20 0 CHADMP CC[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414681639 1122266120 /nfs/dbraw/zinc/26/61/20/1122266120.db2.gz WGGUZMWWRBMZMQ-ZFWWWQNUSA-N 2 1 280.843 3.550 20 0 CHADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCC(c4ccccc4)CC3)[C@@H]2C1 ZINC001184387481 1122272721 /nfs/dbraw/zinc/27/27/21/1122272721.db2.gz LFGSNAGWLOPSSI-KMMPOOCJSA-N 2 1 298.474 3.643 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205295750 1122272811 /nfs/dbraw/zinc/27/28/11/1122272811.db2.gz BOAJNTJZHARPFS-UIZHIOIMSA-N 2 1 266.473 3.820 20 0 CHADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCc2ccc3ccccc3c2)C1 ZINC000072858270 1122288088 /nfs/dbraw/zinc/28/80/88/1122288088.db2.gz IIHUEYKNZTYEDX-GOSISDBHSA-N 2 1 296.458 3.656 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@H+](CCc2ccc3ccccc3c2)C1 ZINC000072858270 1122288093 /nfs/dbraw/zinc/28/80/93/1122288093.db2.gz IIHUEYKNZTYEDX-GOSISDBHSA-N 2 1 296.458 3.656 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000072858270 1122288096 /nfs/dbraw/zinc/28/80/96/1122288096.db2.gz IIHUEYKNZTYEDX-GOSISDBHSA-N 2 1 296.458 3.656 20 0 CHADMP C[NH+](C)C1CCN(c2ccc([NH2+]CC(C)(C)C)cc2)CC1 ZINC000774825100 1122315440 /nfs/dbraw/zinc/31/54/40/1122315440.db2.gz RCSGWWZLTWYGPI-UHFFFAOYSA-N 2 1 289.467 3.675 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](c1ccc(F)cc1)C(C)C ZINC000434615148 1122384246 /nfs/dbraw/zinc/38/42/46/1122384246.db2.gz CHEQFUMVHUPXOT-QGZVFWFLSA-N 2 1 289.398 3.660 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](c1ccc(F)cc1)C(C)C ZINC000434615148 1122384251 /nfs/dbraw/zinc/38/42/51/1122384251.db2.gz CHEQFUMVHUPXOT-QGZVFWFLSA-N 2 1 289.398 3.660 20 0 CHADMP CCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167958019 1122440997 /nfs/dbraw/zinc/44/09/97/1122440997.db2.gz AUHUYBYHFYALAG-ALOPSCKCSA-N 2 1 264.457 3.562 20 0 CHADMP Cc1ccc(C)c([C@H](C)[N@H+](C)CCCc2c[nH+]cn2C)c1 ZINC000514736672 1122444909 /nfs/dbraw/zinc/44/49/09/1122444909.db2.gz LKMRWHPJIVOWTH-INIZCTEOSA-N 2 1 285.435 3.663 20 0 CHADMP Cc1ccc(C)c([C@H](C)[N@@H+](C)CCCc2c[nH+]cn2C)c1 ZINC000514736672 1122444911 /nfs/dbraw/zinc/44/49/11/1122444911.db2.gz LKMRWHPJIVOWTH-INIZCTEOSA-N 2 1 285.435 3.663 20 0 CHADMP CC[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)C1 ZINC000515093835 1122476296 /nfs/dbraw/zinc/47/62/96/1122476296.db2.gz SCNBEDUCJZOODS-XMTFNYHQSA-N 2 1 278.484 3.619 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000515093835 1122476297 /nfs/dbraw/zinc/47/62/97/1122476297.db2.gz SCNBEDUCJZOODS-XMTFNYHQSA-N 2 1 278.484 3.619 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000515093835 1122476301 /nfs/dbraw/zinc/47/63/01/1122476301.db2.gz SCNBEDUCJZOODS-XMTFNYHQSA-N 2 1 278.484 3.619 20 0 CHADMP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(F)ccc1F ZINC000515410620 1122497511 /nfs/dbraw/zinc/49/75/11/1122497511.db2.gz DCFZLGHLPHBQJK-SUMWQHHRSA-N 2 1 296.405 3.593 20 0 CHADMP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(F)ccc1F ZINC000515410620 1122497513 /nfs/dbraw/zinc/49/75/13/1122497513.db2.gz DCFZLGHLPHBQJK-SUMWQHHRSA-N 2 1 296.405 3.593 20 0 CHADMP CC(C)[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(F)ccc1F ZINC000515410619 1122497602 /nfs/dbraw/zinc/49/76/02/1122497602.db2.gz DCFZLGHLPHBQJK-GUYCJALGSA-N 2 1 296.405 3.593 20 0 CHADMP CC(C)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(F)ccc1F ZINC000515410619 1122497605 /nfs/dbraw/zinc/49/76/05/1122497605.db2.gz DCFZLGHLPHBQJK-GUYCJALGSA-N 2 1 296.405 3.593 20 0 CHADMP CC[C@](C)([NH2+]CCCCn1cc[nH+]c1C)c1ccccc1 ZINC000775388344 1122539858 /nfs/dbraw/zinc/53/98/58/1122539858.db2.gz PVWXXLPCKUKQAJ-SFHVURJKSA-N 2 1 285.435 3.887 20 0 CHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001190651675 1122549881 /nfs/dbraw/zinc/54/98/81/1122549881.db2.gz PLKDIAFJMNRXSJ-QGZVFWFLSA-N 2 1 292.511 3.867 20 0 CHADMP [NH3+]C[C@]1(F)CCC[N@@H+](CCCCCc2ccccc2)CC1 ZINC001205545506 1122560651 /nfs/dbraw/zinc/56/06/51/1122560651.db2.gz IGOANBMUFSVHED-SFHVURJKSA-N 2 1 292.442 3.552 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000516038655 1122564234 /nfs/dbraw/zinc/56/42/34/1122564234.db2.gz WVUHWDXTIGIHKM-CVEARBPZSA-N 2 1 266.473 3.523 20 0 CHADMP C[N@@H+](CCCC1CCCC1)CC[C@H]1CCCC[NH+]1C ZINC001191256073 1122584809 /nfs/dbraw/zinc/58/48/09/1122584809.db2.gz FFBIYFSUBSAEIE-QGZVFWFLSA-N 2 1 266.473 3.763 20 0 CHADMP C[NH+](CCCC1CCCC1)CC[C@H]1CCCC[N@@H+]1C ZINC001191256073 1122584810 /nfs/dbraw/zinc/58/48/10/1122584810.db2.gz FFBIYFSUBSAEIE-QGZVFWFLSA-N 2 1 266.473 3.763 20 0 CHADMP C[C@H]1C[C@H](CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C[C@@H](C)C1 ZINC001191519668 1122603097 /nfs/dbraw/zinc/60/30/97/1122603097.db2.gz ASRURUBOCBAHGK-BRIYLRKRSA-N 2 1 292.511 3.865 20 0 CHADMP CCC[C@H]1[C@@H](C)CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC001191789050 1122615496 /nfs/dbraw/zinc/61/54/96/1122615496.db2.gz FLMVAYIRKPXGMT-IRXDYDNUSA-N 2 1 266.473 3.763 20 0 CHADMP CC1(C)C[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000516650759 1122619068 /nfs/dbraw/zinc/61/90/68/1122619068.db2.gz TZCIGLKCGFGCHQ-SJORKVTESA-N 2 1 284.447 3.572 20 0 CHADMP CC1(C)C[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000516650759 1122619070 /nfs/dbraw/zinc/61/90/70/1122619070.db2.gz TZCIGLKCGFGCHQ-SJORKVTESA-N 2 1 284.447 3.572 20 0 CHADMP C[C@H]1CC[N@@H+](CCCc2cccc(Cl)c2)CC[C@H]1C[NH3+] ZINC001205601047 1122646409 /nfs/dbraw/zinc/64/64/09/1122646409.db2.gz CWPLBECKBJTFNH-HOCLYGCPSA-N 2 1 294.870 3.579 20 0 CHADMP CC(C)c1ccc(CC[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1 ZINC001205602522 1122650058 /nfs/dbraw/zinc/65/00/58/1122650058.db2.gz JDVSJBWYVRGXJL-APWZRJJASA-N 2 1 288.479 3.659 20 0 CHADMP CC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cc(Cl)ccc1OC ZINC000425935653 1122665953 /nfs/dbraw/zinc/66/59/53/1122665953.db2.gz DZOPLXFURSLLPX-SWLSCSKDSA-N 2 1 298.858 3.587 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)c2ccc(F)cc2)C[C@H]1C ZINC000438103281 1122677852 /nfs/dbraw/zinc/67/78/52/1122677852.db2.gz TZNLOCHQFTTWIN-RKVPGOIHSA-N 2 1 292.442 3.734 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)c2ccc(F)cc2)C[C@H]1C ZINC000438103281 1122677854 /nfs/dbraw/zinc/67/78/54/1122677854.db2.gz TZNLOCHQFTTWIN-RKVPGOIHSA-N 2 1 292.442 3.734 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)c2ccc(F)cc2)C[C@H]1C ZINC000438103281 1122677857 /nfs/dbraw/zinc/67/78/57/1122677857.db2.gz TZNLOCHQFTTWIN-RKVPGOIHSA-N 2 1 292.442 3.734 20 0 CHADMP CCSc1ccccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205652266 1122747272 /nfs/dbraw/zinc/74/72/72/1122747272.db2.gz OUMXFEOWHQXOGA-GJZGRUSLSA-N 2 1 292.492 3.605 20 0 CHADMP CC/C=C/CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001194268739 1122763731 /nfs/dbraw/zinc/76/37/31/1122763731.db2.gz JESFNRXPEKZCMG-WUUFJKRQSA-N 2 1 298.474 3.941 20 0 CHADMP CC/C=C/CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001194268739 1122763735 /nfs/dbraw/zinc/76/37/35/1122763735.db2.gz JESFNRXPEKZCMG-WUUFJKRQSA-N 2 1 298.474 3.941 20 0 CHADMP CC/C=C/CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001194268739 1122763738 /nfs/dbraw/zinc/76/37/38/1122763738.db2.gz JESFNRXPEKZCMG-WUUFJKRQSA-N 2 1 298.474 3.941 20 0 CHADMP C/C(=C/c1ccccc1)C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000518746308 1122786931 /nfs/dbraw/zinc/78/69/31/1122786931.db2.gz QRQYLQYNVUTWBN-NMIWIPSGSA-N 2 1 298.474 3.754 20 0 CHADMP CC[C@@H](C[N@@H+](C)C1CCN(CC)CC1)c1ccccc1 ZINC000506691304 1122807983 /nfs/dbraw/zinc/80/79/83/1122807983.db2.gz XNQQWDHJLLQCEH-INIZCTEOSA-N 2 1 274.452 3.596 20 0 CHADMP CC[C@@H](C[N@H+](C)C1CC[NH+](CC)CC1)c1ccccc1 ZINC000506691304 1122807987 /nfs/dbraw/zinc/80/79/87/1122807987.db2.gz XNQQWDHJLLQCEH-INIZCTEOSA-N 2 1 274.452 3.596 20 0 CHADMP CC[C@@H](C[N@@H+](C)C1CC[NH+](CC)CC1)c1ccccc1 ZINC000506691304 1122807991 /nfs/dbraw/zinc/80/79/91/1122807991.db2.gz XNQQWDHJLLQCEH-INIZCTEOSA-N 2 1 274.452 3.596 20 0 CHADMP CCCC(CCC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167965891 1122819193 /nfs/dbraw/zinc/81/91/93/1122819193.db2.gz PKSDUJZGWFDCCY-AYHJJNSGSA-N 2 1 278.484 3.950 20 0 CHADMP Clc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1Cl ZINC000262005530 1122824085 /nfs/dbraw/zinc/82/40/85/1122824085.db2.gz LVDVHHVNBAAVFH-UHFFFAOYSA-N 2 1 299.245 3.569 20 0 CHADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1C[C@@H]3CCCC[C@H]3C1)C2 ZINC001167982827 1122903837 /nfs/dbraw/zinc/90/38/37/1122903837.db2.gz BNZZYJZUVOUFKD-ZWKKMZQASA-N 2 1 288.479 3.514 20 0 CHADMP CCCC[N@@H+](CCCCOC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196546243 1122926711 /nfs/dbraw/zinc/92/67/11/1122926711.db2.gz XWFNSSKMGIGLJM-UHFFFAOYSA-N 2 1 298.515 3.824 20 0 CHADMP C[N@H+]1CC[C@@H]2CN(Cc3cccc(C(C)(C)C)c3)CC[C@@H]21 ZINC001197032838 1122943684 /nfs/dbraw/zinc/94/36/84/1122943684.db2.gz SYAWFTJZIDGSII-AEFFLSMTSA-N 2 1 286.463 3.510 20 0 CHADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(C(C)(C)C)c3)CC[C@@H]21 ZINC001197032838 1122943688 /nfs/dbraw/zinc/94/36/88/1122943688.db2.gz SYAWFTJZIDGSII-AEFFLSMTSA-N 2 1 286.463 3.510 20 0 CHADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(C(C)(C)C)c3)CC[C@@H]21 ZINC001197032838 1122943690 /nfs/dbraw/zinc/94/36/90/1122943690.db2.gz SYAWFTJZIDGSII-AEFFLSMTSA-N 2 1 286.463 3.510 20 0 CHADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(C(C)(C)C)c3)CC[C@@H]21 ZINC001197032838 1122943693 /nfs/dbraw/zinc/94/36/93/1122943693.db2.gz SYAWFTJZIDGSII-AEFFLSMTSA-N 2 1 286.463 3.510 20 0 CHADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(C(C)(C)C)c3)CC[C@@H]21 ZINC001197032838 1122943696 /nfs/dbraw/zinc/94/36/96/1122943696.db2.gz SYAWFTJZIDGSII-AEFFLSMTSA-N 2 1 286.463 3.510 20 0 CHADMP CC(C)C[N@@H+](CC=C(Cl)Cl)CC1CC[NH+](C)CC1 ZINC001197193862 1122947690 /nfs/dbraw/zinc/94/76/90/1122947690.db2.gz GXLUQYPEIPPICK-UHFFFAOYSA-N 2 1 293.282 3.605 20 0 CHADMP CCc1ccc(C[NH+]2CCC(CC)([NH+]3CCC3)CC2)cc1 ZINC001197882302 1122971269 /nfs/dbraw/zinc/97/12/69/1122971269.db2.gz SRLCXRODDBPSKB-UHFFFAOYSA-N 2 1 286.463 3.699 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+]1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC001198202041 1122982626 /nfs/dbraw/zinc/98/26/26/1122982626.db2.gz IJBACKYFWLAYKM-SFHVURJKSA-N 2 1 297.446 3.707 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+]1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC001198202041 1122982629 /nfs/dbraw/zinc/98/26/29/1122982629.db2.gz IJBACKYFWLAYKM-SFHVURJKSA-N 2 1 297.446 3.707 20 0 CHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)C(C)C)C1CC1 ZINC000154878605 1129092680 /nfs/dbraw/zinc/09/26/80/1129092680.db2.gz XVIPEPOKTUERIC-GOSISDBHSA-N 2 1 274.452 3.805 20 0 CHADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001203918071 1123012595 /nfs/dbraw/zinc/01/25/95/1123012595.db2.gz PZZADDQUJAPXKR-ZWKOTPCHSA-N 2 1 290.426 3.665 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001203918071 1123012597 /nfs/dbraw/zinc/01/25/97/1123012597.db2.gz PZZADDQUJAPXKR-ZWKOTPCHSA-N 2 1 290.426 3.665 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001203918071 1123012601 /nfs/dbraw/zinc/01/26/01/1123012601.db2.gz PZZADDQUJAPXKR-ZWKOTPCHSA-N 2 1 290.426 3.665 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001203918071 1123012605 /nfs/dbraw/zinc/01/26/05/1123012605.db2.gz PZZADDQUJAPXKR-ZWKOTPCHSA-N 2 1 290.426 3.665 20 0 CHADMP CSc1ccccc1[C@H](C)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000440612447 1123022221 /nfs/dbraw/zinc/02/22/21/1123022221.db2.gz JJTSHHVANFVMOA-LSDHHAIUSA-N 2 1 292.492 3.934 20 0 CHADMP CSc1ccccc1[C@H](C)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000440612447 1123022225 /nfs/dbraw/zinc/02/22/25/1123022225.db2.gz JJTSHHVANFVMOA-LSDHHAIUSA-N 2 1 292.492 3.934 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1ccoc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309915814 1129094982 /nfs/dbraw/zinc/09/49/82/1129094982.db2.gz OCBDZMTUQPHYNQ-SOLBZPMBSA-N 2 1 298.430 3.841 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1ccoc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309915814 1129094985 /nfs/dbraw/zinc/09/49/85/1129094985.db2.gz OCBDZMTUQPHYNQ-SOLBZPMBSA-N 2 1 298.430 3.841 20 0 CHADMP CCC[C@@H](C)[C@@H](CC)[NH2+]CCCCn1cc[nH+]c1C ZINC000164660648 1123044406 /nfs/dbraw/zinc/04/44/06/1123044406.db2.gz XWTOMUJICIIBII-GDBMZVCRSA-N 2 1 265.445 3.776 20 0 CHADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC001205903958 1123069590 /nfs/dbraw/zinc/06/95/90/1123069590.db2.gz SGGNQUYSLJOWJB-GOEBONIOSA-N 2 1 274.452 3.543 20 0 CHADMP CC[C@@H](c1ccccc1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441342233 1123080565 /nfs/dbraw/zinc/08/05/65/1123080565.db2.gz YDGIDQNXYXRKFQ-ROUUACIJSA-N 2 1 274.452 3.944 20 0 CHADMP CC[C@@H](c1ccccc1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441342233 1123080570 /nfs/dbraw/zinc/08/05/70/1123080570.db2.gz YDGIDQNXYXRKFQ-ROUUACIJSA-N 2 1 274.452 3.944 20 0 CHADMP CC[C@@H](c1ccccc1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441342233 1123080574 /nfs/dbraw/zinc/08/05/74/1123080574.db2.gz YDGIDQNXYXRKFQ-ROUUACIJSA-N 2 1 274.452 3.944 20 0 CHADMP CC(C)=CCC[C@@H](C)C[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001201486624 1123107829 /nfs/dbraw/zinc/10/78/29/1123107829.db2.gz LBZIMSMUKZLZBL-QGZVFWFLSA-N 2 1 290.495 3.787 20 0 CHADMP CC(C)=CCC[C@@H](C)C[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001201486624 1123107831 /nfs/dbraw/zinc/10/78/31/1123107831.db2.gz LBZIMSMUKZLZBL-QGZVFWFLSA-N 2 1 290.495 3.787 20 0 CHADMP CC(C)=CCC[C@@H](C)C[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001201496512 1123110547 /nfs/dbraw/zinc/11/05/47/1123110547.db2.gz NNHWVMAYRUXLMT-MRXNPFEDSA-N 2 1 278.484 3.928 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001201496907 1123110566 /nfs/dbraw/zinc/11/05/66/1123110566.db2.gz SARSJDHGJBXCKK-QGZVFWFLSA-N 2 1 278.484 3.787 20 0 CHADMP C[C@@H]1C[C@@H](C)CC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167996144 1123116866 /nfs/dbraw/zinc/11/68/66/1123116866.db2.gz XLADJYAQEXSJSH-PJFKJEBRSA-N 2 1 276.468 3.512 20 0 CHADMP C[C@@H]1C[C@@H](C)CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167996144 1123116867 /nfs/dbraw/zinc/11/68/67/1123116867.db2.gz XLADJYAQEXSJSH-PJFKJEBRSA-N 2 1 276.468 3.512 20 0 CHADMP C[NH+](C)CCC[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000536302857 1123119817 /nfs/dbraw/zinc/11/98/17/1123119817.db2.gz SGEIFHVGWHYDML-CQSZACIVSA-N 2 1 287.234 3.522 20 0 CHADMP CCC[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001201647320 1123136025 /nfs/dbraw/zinc/13/60/25/1123136025.db2.gz HEGBTQOUFZDZMF-UHFFFAOYSA-N 2 1 286.463 3.775 20 0 CHADMP CCCCC[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001201745406 1123145291 /nfs/dbraw/zinc/14/52/91/1123145291.db2.gz YVJTVIUTUVSQON-UHFFFAOYSA-N 2 1 266.473 3.906 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001201981256 1123159684 /nfs/dbraw/zinc/15/96/84/1123159684.db2.gz LMECLCOODAATGZ-MRXNPFEDSA-N 2 1 275.440 3.514 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001201981256 1123159687 /nfs/dbraw/zinc/15/96/87/1123159687.db2.gz LMECLCOODAATGZ-MRXNPFEDSA-N 2 1 275.440 3.514 20 0 CHADMP CCC[N@@H+](CC(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168002088 1123164455 /nfs/dbraw/zinc/16/44/55/1123164455.db2.gz DQDZRCBYBQIGQZ-JWTNVVGKSA-N 2 1 278.484 3.760 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000520557258 1123173545 /nfs/dbraw/zinc/17/35/45/1123173545.db2.gz GCTGUFLETKGHLJ-BZUAXINKSA-N 2 1 272.452 3.615 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000520557258 1123173548 /nfs/dbraw/zinc/17/35/48/1123173548.db2.gz GCTGUFLETKGHLJ-BZUAXINKSA-N 2 1 272.452 3.615 20 0 CHADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]CCC[N@@H+](C)C(C)C ZINC000427612010 1123195092 /nfs/dbraw/zinc/19/50/92/1123195092.db2.gz JZNNUQHSGIJKRB-GOSISDBHSA-N 2 1 276.468 3.574 20 0 CHADMP CCCC1CCC(C[NH2+][C@H](C)C[N@H+](C)C(C)C)CC1 ZINC001202298468 1123196411 /nfs/dbraw/zinc/19/64/11/1123196411.db2.gz AMRFNCWXIFXSRW-KLAILNCOSA-N 2 1 268.489 3.911 20 0 CHADMP CCCC1CCC(C[NH2+][C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC001202298468 1123196413 /nfs/dbraw/zinc/19/64/13/1123196413.db2.gz AMRFNCWXIFXSRW-KLAILNCOSA-N 2 1 268.489 3.911 20 0 CHADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000269942901 1129106849 /nfs/dbraw/zinc/10/68/49/1129106849.db2.gz GYWXZQZCHBRBHL-QYZOEREBSA-N 2 1 286.463 3.643 20 0 CHADMP Cc1ccc2cc(C[NH2+]C3CC[NH+](C(C)(C)C)CC3)[nH]c2c1 ZINC000850035765 1123237631 /nfs/dbraw/zinc/23/76/31/1123237631.db2.gz BOTSIWCLKGTADW-UHFFFAOYSA-N 2 1 299.462 3.829 20 0 CHADMP Cc1ccc2cc([C@H](C)[NH2+]CC3([NH3+])CCCC3)oc2c1 ZINC000665246528 1123256277 /nfs/dbraw/zinc/25/62/77/1123256277.db2.gz HQVXFZCXEGQBIL-ZDUSSCGKSA-N 2 1 272.392 3.663 20 0 CHADMP Fc1ccc([C@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)cc1 ZINC000508197122 1123269924 /nfs/dbraw/zinc/26/99/24/1123269924.db2.gz YKAQCAKRJJEEJO-GOSISDBHSA-N 2 1 290.426 3.839 20 0 CHADMP Fc1ccc([C@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)cc1 ZINC000508197122 1123269927 /nfs/dbraw/zinc/26/99/27/1123269927.db2.gz YKAQCAKRJJEEJO-GOSISDBHSA-N 2 1 290.426 3.839 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1(C)CC1 ZINC000163260955 1129116585 /nfs/dbraw/zinc/11/65/85/1129116585.db2.gz WILCCYCJJUFVPE-RYRKJORJSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1(C)CC1 ZINC000163260955 1129116587 /nfs/dbraw/zinc/11/65/87/1129116587.db2.gz WILCCYCJJUFVPE-RYRKJORJSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335018608 1123291221 /nfs/dbraw/zinc/29/12/21/1123291221.db2.gz WJTHWBZYJOKWJE-GFCCVEGCSA-N 2 1 298.352 3.594 20 0 CHADMP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1csc(Cl)c1 ZINC000191103296 1123375508 /nfs/dbraw/zinc/37/55/08/1123375508.db2.gz MRJVCTFEMPTATJ-SNVBAGLBSA-N 2 1 274.861 3.640 20 0 CHADMP Cc1cccc2c1cc[nH+]c2N1CCC([NH2+]C(C)C)CC1 ZINC000335478989 1123377623 /nfs/dbraw/zinc/37/76/23/1123377623.db2.gz UEPYCTLCDHTGPU-UHFFFAOYSA-N 2 1 283.419 3.510 20 0 CHADMP C(C1CCCC1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000474064339 1123407427 /nfs/dbraw/zinc/40/74/27/1123407427.db2.gz CNVXFEYILPVUDI-IAGOWNOFSA-N 2 1 276.468 3.563 20 0 CHADMP C(C1CCCC1)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000474064339 1123407429 /nfs/dbraw/zinc/40/74/29/1123407429.db2.gz CNVXFEYILPVUDI-IAGOWNOFSA-N 2 1 276.468 3.563 20 0 CHADMP C[N@@H+](C[C@@H]1CC[C@@H](c2ccccc2)C1)C1CCC([NH3+])CC1 ZINC000852740668 1123414233 /nfs/dbraw/zinc/41/42/33/1123414233.db2.gz IQPCMIGQKAPWIX-BJMVHTGZSA-N 2 1 286.463 3.772 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2C(C)=CCC[C@H]2C)[C@H](C)C1 ZINC000443663304 1123466824 /nfs/dbraw/zinc/46/68/24/1123466824.db2.gz WYBKMYDFKGRWBX-TVFCKZIOSA-N 2 1 278.484 3.641 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2C(C)=CCC[C@H]2C)[C@H](C)C1 ZINC000443663304 1123466827 /nfs/dbraw/zinc/46/68/27/1123466827.db2.gz WYBKMYDFKGRWBX-TVFCKZIOSA-N 2 1 278.484 3.641 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2C(C)=CCC[C@H]2C)[C@H](C)C1 ZINC000443663304 1123466829 /nfs/dbraw/zinc/46/68/29/1123466829.db2.gz WYBKMYDFKGRWBX-TVFCKZIOSA-N 2 1 278.484 3.641 20 0 CHADMP CC(C)C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000052379140 1123481202 /nfs/dbraw/zinc/48/12/02/1123481202.db2.gz QUWJAOKZMXOWAT-INIZCTEOSA-N 2 1 274.452 3.807 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2c(F)cccc2CC)C1 ZINC000474262987 1123497106 /nfs/dbraw/zinc/49/71/06/1123497106.db2.gz DXNFTMJCIXQFNJ-OAHLLOKOSA-N 2 1 292.442 3.552 20 0 CHADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c(F)cccc2CC)C1 ZINC000474262987 1123497109 /nfs/dbraw/zinc/49/71/09/1123497109.db2.gz DXNFTMJCIXQFNJ-OAHLLOKOSA-N 2 1 292.442 3.552 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(F)cccc2CC)C1 ZINC000474262987 1123497111 /nfs/dbraw/zinc/49/71/11/1123497111.db2.gz DXNFTMJCIXQFNJ-OAHLLOKOSA-N 2 1 292.442 3.552 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c(F)cccc2CC)C1 ZINC000474262987 1123497113 /nfs/dbraw/zinc/49/71/13/1123497113.db2.gz DXNFTMJCIXQFNJ-OAHLLOKOSA-N 2 1 292.442 3.552 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(F)cccc2CC)C1 ZINC000474262987 1123497116 /nfs/dbraw/zinc/49/71/16/1123497116.db2.gz DXNFTMJCIXQFNJ-OAHLLOKOSA-N 2 1 292.442 3.552 20 0 CHADMP CC[N@@H+](CCC[NH2+][C@@H]1CCOC(C)(C)C1)C1CCCCC1 ZINC000634685717 1129126074 /nfs/dbraw/zinc/12/60/74/1129126074.db2.gz UHIYVOPMGZXTTE-MRXNPFEDSA-N 2 1 296.499 3.578 20 0 CHADMP CCc1cccc(Cl)c1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000474349845 1123511304 /nfs/dbraw/zinc/51/13/04/1123511304.db2.gz XMQJFJPLGIQXQY-LSDHHAIUSA-N 2 1 292.854 3.619 20 0 CHADMP CC(C)(F)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000631188346 1123516062 /nfs/dbraw/zinc/51/60/62/1123516062.db2.gz CBVIPFSJQCYPRX-INIZCTEOSA-N 2 1 290.426 3.521 20 0 CHADMP CC(C)(F)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000631188346 1123516065 /nfs/dbraw/zinc/51/60/65/1123516065.db2.gz CBVIPFSJQCYPRX-INIZCTEOSA-N 2 1 290.426 3.521 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CCCC1 ZINC000474473611 1123536605 /nfs/dbraw/zinc/53/66/05/1123536605.db2.gz FKLLFLIYJMFVRT-IXDOHACOSA-N 2 1 280.500 3.913 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000474485165 1123538347 /nfs/dbraw/zinc/53/83/47/1123538347.db2.gz CYKDXZGFMZIHQW-RBSFLKMASA-N 2 1 294.870 3.763 20 0 CHADMP C[C@@H]([NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1)C1CCSCC1 ZINC000474608953 1123557491 /nfs/dbraw/zinc/55/74/91/1123557491.db2.gz ZQSYUVFUXUUYGR-INMHGKMJSA-N 2 1 298.540 3.618 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](c2ccccc2)C(C)C)C1 ZINC000474633564 1123562232 /nfs/dbraw/zinc/56/22/32/1123562232.db2.gz ZEBDNFBZAIHXDV-PKOBYXMFSA-N 2 1 288.479 3.748 20 0 CHADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C1CCSCC1 ZINC000474707540 1123573896 /nfs/dbraw/zinc/57/38/96/1123573896.db2.gz AUNLGBFQNWDDPX-RDJZCZTQSA-N 2 1 298.540 3.762 20 0 CHADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C1CCSCC1 ZINC000474707540 1123573899 /nfs/dbraw/zinc/57/38/99/1123573899.db2.gz AUNLGBFQNWDDPX-RDJZCZTQSA-N 2 1 298.540 3.762 20 0 CHADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)C1CCSCC1 ZINC000474707542 1123574187 /nfs/dbraw/zinc/57/41/87/1123574187.db2.gz AUNLGBFQNWDDPX-WBVHZDCISA-N 2 1 298.540 3.762 20 0 CHADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)C1CCSCC1 ZINC000474707542 1123574189 /nfs/dbraw/zinc/57/41/89/1123574189.db2.gz AUNLGBFQNWDDPX-WBVHZDCISA-N 2 1 298.540 3.762 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C1CCCC1 ZINC000453399448 1123581447 /nfs/dbraw/zinc/58/14/47/1123581447.db2.gz JZTUBBJEGBENMV-KFKAGJAMSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C1CCCC1 ZINC000453399448 1123581451 /nfs/dbraw/zinc/58/14/51/1123581451.db2.gz JZTUBBJEGBENMV-KFKAGJAMSA-N 2 1 286.463 3.990 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)CC1(C)C ZINC000858320571 1123645106 /nfs/dbraw/zinc/64/51/06/1123645106.db2.gz DZDLHILKCLGQPQ-HOCLYGCPSA-N 2 1 292.854 3.790 20 0 CHADMP CC[C@@H](C)C[N@@H+](CC)Cc1cc(-n2ccnc2)cs1 ZINC000346176236 1123670230 /nfs/dbraw/zinc/67/02/30/1123670230.db2.gz OKHQGPYYNYFZTC-CYBMUJFWSA-N 2 1 277.437 3.802 20 0 CHADMP Cc1nccn1CC[N@@H+]1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 ZINC000346284844 1123677204 /nfs/dbraw/zinc/67/72/04/1123677204.db2.gz YLPHJIKVIVXHOR-APWZRJJASA-N 2 1 297.446 3.973 20 0 CHADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC000346639369 1123704236 /nfs/dbraw/zinc/70/42/36/1123704236.db2.gz KBJCDPUUMRFINV-KXBFYZLASA-N 2 1 280.415 3.523 20 0 CHADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000158127918 1129139808 /nfs/dbraw/zinc/13/98/08/1129139808.db2.gz OXJSLSKADDNPOP-OCCSQVGLSA-N 2 1 295.496 3.567 20 0 CHADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000158127918 1129139809 /nfs/dbraw/zinc/13/98/09/1129139809.db2.gz OXJSLSKADDNPOP-OCCSQVGLSA-N 2 1 295.496 3.567 20 0 CHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(-c4ccccc4)c3)C[C@H]12 ZINC000346821485 1123717270 /nfs/dbraw/zinc/71/72/70/1123717270.db2.gz AHBSEPIRPAPIFR-SLFFLAALSA-N 2 1 292.426 3.523 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000336379555 1123766924 /nfs/dbraw/zinc/76/69/24/1123766924.db2.gz RFZVMRBQGLMAPU-OAHLLOKOSA-N 2 1 299.418 3.500 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000336379555 1123766927 /nfs/dbraw/zinc/76/69/27/1123766927.db2.gz RFZVMRBQGLMAPU-OAHLLOKOSA-N 2 1 299.418 3.500 20 0 CHADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000444220090 1123772732 /nfs/dbraw/zinc/77/27/32/1123772732.db2.gz ZEAMFYYTYBYMQG-QZTJIDSGSA-N 2 1 286.463 3.864 20 0 CHADMP CC[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000086903861 1123800120 /nfs/dbraw/zinc/80/01/20/1123800120.db2.gz YHQUQCBUYMUTLC-GJZGRUSLSA-N 2 1 264.457 3.562 20 0 CHADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000086906395 1123800274 /nfs/dbraw/zinc/80/02/74/1123800274.db2.gz IUKFUGFMWPVCHQ-IXDOHACOSA-N 2 1 266.473 3.665 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000475340138 1123844442 /nfs/dbraw/zinc/84/44/42/1123844442.db2.gz XAPKPUGPSWKQJS-UONOGXRCSA-N 2 1 282.859 3.591 20 0 CHADMP C[C@H](Nc1cc[nH+]c2ccsc21)C(C)(C)C[NH+](C)C ZINC000301631525 1123919886 /nfs/dbraw/zinc/91/98/86/1123919886.db2.gz JDASFPUDQQYTKJ-NSHDSACASA-N 2 1 277.437 3.685 20 0 CHADMP Cc1[nH+]c2ccccc2c(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1C ZINC000302060669 1123952668 /nfs/dbraw/zinc/95/26/68/1123952668.db2.gz CEOQKEQPTPWANN-CVEARBPZSA-N 2 1 295.430 3.525 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]c3ccc(C)cc32)C1 ZINC000302181819 1123959552 /nfs/dbraw/zinc/95/95/52/1123959552.db2.gz ZXADJZLQXJOCMP-INIZCTEOSA-N 2 1 297.446 3.711 20 0 CHADMP Cc1[nH]c2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2c1C ZINC000339071888 1123971769 /nfs/dbraw/zinc/97/17/69/1123971769.db2.gz UVWHKJUZRMXENV-IRXDYDNUSA-N 2 1 297.446 3.501 20 0 CHADMP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(F)(F)F ZINC000865756377 1124010692 /nfs/dbraw/zinc/01/06/92/1124010692.db2.gz LHAMCAYWNTYRKK-GFCCVEGCSA-N 2 1 294.405 3.818 20 0 CHADMP Cc1cccc(C(C)(C)C[NH2+]Cc2c[nH+]ccc2N(C)C)c1 ZINC001648973111 1124039393 /nfs/dbraw/zinc/03/93/93/1124039393.db2.gz CTCJQMGPRPOQGC-UHFFFAOYSA-N 2 1 297.446 3.523 20 0 CHADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(C(F)(F)F)s1 ZINC000717985867 1129164625 /nfs/dbraw/zinc/16/46/25/1129164625.db2.gz UZBAPBKVJYEHSA-VHSXEESVSA-N 2 1 294.386 3.615 20 0 CHADMP CC(C)Cc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000508520850 1124075894 /nfs/dbraw/zinc/07/58/94/1124075894.db2.gz RHHBKDOYINQUSB-LJQANCHMSA-N 2 1 288.479 3.659 20 0 CHADMP CC(C)Cc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000508520850 1124075898 /nfs/dbraw/zinc/07/58/98/1124075898.db2.gz RHHBKDOYINQUSB-LJQANCHMSA-N 2 1 288.479 3.659 20 0 CHADMP CC(C)Cc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000508520850 1124075904 /nfs/dbraw/zinc/07/59/04/1124075904.db2.gz RHHBKDOYINQUSB-LJQANCHMSA-N 2 1 288.479 3.659 20 0 CHADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000866706660 1124094428 /nfs/dbraw/zinc/09/44/28/1124094428.db2.gz JFVIOLRIRQNOLE-QGZVFWFLSA-N 2 1 296.405 3.821 20 0 CHADMP C(C[NH+]1CCCCC1)C[N@H+]1CCCC2(CCCC2)C1 ZINC000445856846 1124103879 /nfs/dbraw/zinc/10/38/79/1124103879.db2.gz HYTMPUWQKIJCCN-UHFFFAOYSA-N 2 1 264.457 3.519 20 0 CHADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000525694640 1124457701 /nfs/dbraw/zinc/45/77/01/1124457701.db2.gz DCEVRBFMCBCRDE-OIISXLGYSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000525985804 1124490787 /nfs/dbraw/zinc/49/07/87/1124490787.db2.gz SWIXZFMRKYYOMI-QLFBSQMISA-N 2 1 294.870 3.763 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(Cl)c2)[C@@H](C)C1 ZINC000447728865 1124511066 /nfs/dbraw/zinc/51/10/66/1124511066.db2.gz NGBODKGODPOAJS-YOEHRIQHSA-N 2 1 294.870 3.811 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)c(Cl)c2)[C@@H](C)C1 ZINC000447728865 1124511070 /nfs/dbraw/zinc/51/10/70/1124511070.db2.gz NGBODKGODPOAJS-YOEHRIQHSA-N 2 1 294.870 3.811 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)c(Cl)c2)[C@@H](C)C1 ZINC000447728865 1124511075 /nfs/dbraw/zinc/51/10/75/1124511075.db2.gz NGBODKGODPOAJS-YOEHRIQHSA-N 2 1 294.870 3.811 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(Cl)c2)C[C@@H]1C ZINC000447723891 1124517527 /nfs/dbraw/zinc/51/75/27/1124517527.db2.gz RWYAITBWYFWNPN-GOEBONIOSA-N 2 1 294.870 3.953 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(Cl)c2)C[C@@H]1C ZINC000447723891 1124517537 /nfs/dbraw/zinc/51/75/37/1124517537.db2.gz RWYAITBWYFWNPN-GOEBONIOSA-N 2 1 294.870 3.953 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)c(Cl)c2)C[C@@H]1C ZINC000447723891 1124517546 /nfs/dbraw/zinc/51/75/46/1124517546.db2.gz RWYAITBWYFWNPN-GOEBONIOSA-N 2 1 294.870 3.953 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(Cl)c2)C[C@@H]1C ZINC000447723891 1124517555 /nfs/dbraw/zinc/51/75/55/1124517555.db2.gz RWYAITBWYFWNPN-GOEBONIOSA-N 2 1 294.870 3.953 20 0 CHADMP C[C@H]([NH2+]CCCC(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001119931340 1131266786 /nfs/dbraw/zinc/26/67/86/1131266786.db2.gz KXBHLRKSTPMPIX-QWHCGFSZSA-N 2 1 292.389 3.572 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]CCCC(F)(F)F)c1 ZINC001119943607 1131266943 /nfs/dbraw/zinc/26/69/43/1131266943.db2.gz SPBVMXGQRKISSX-UHFFFAOYSA-N 2 1 288.357 3.570 20 0 CHADMP Cc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cs1 ZINC000449030418 1124634630 /nfs/dbraw/zinc/63/46/30/1124634630.db2.gz RQYRBQGWENWHIZ-INIZCTEOSA-N 2 1 278.465 3.507 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cs1 ZINC000449030418 1124634632 /nfs/dbraw/zinc/63/46/32/1124634632.db2.gz RQYRBQGWENWHIZ-INIZCTEOSA-N 2 1 278.465 3.507 20 0 CHADMP Cc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000449082063 1124646976 /nfs/dbraw/zinc/64/69/76/1124646976.db2.gz KDGMEZGDMATSOY-CQSZACIVSA-N 2 1 280.481 3.658 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)C1 ZINC000449129621 1124652749 /nfs/dbraw/zinc/65/27/49/1124652749.db2.gz CYNZLLUTJXIFBG-LTIDMASMSA-N 2 1 266.473 3.521 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@@H]1CCCC[C@@H]1C ZINC000449165734 1124663253 /nfs/dbraw/zinc/66/32/53/1124663253.db2.gz XKRFGFPLCBTNGY-ZMSDIMECSA-N 2 1 277.456 3.776 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CC(C)(F)C2)cc1 ZINC000449374718 1124706788 /nfs/dbraw/zinc/70/67/88/1124706788.db2.gz CCJLZOHFLLVMOG-VWDMACCTSA-N 2 1 287.382 3.722 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2CC(C)(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000449377438 1124716089 /nfs/dbraw/zinc/71/60/89/1124716089.db2.gz UBBDBWLBHIZHCY-SEEUUAMPSA-N 2 1 290.426 3.520 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2CC(C)(F)C2)CC[N@H+]1Cc1ccccc1 ZINC000449377438 1124716095 /nfs/dbraw/zinc/71/60/95/1124716095.db2.gz UBBDBWLBHIZHCY-SEEUUAMPSA-N 2 1 290.426 3.520 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000449404696 1124726875 /nfs/dbraw/zinc/72/68/75/1124726875.db2.gz DTHAMPMUABAXDR-ZIAGYGMSSA-N 2 1 295.496 3.511 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H](C)CC(C)(C)C)[C@H](C)C1 ZINC000443197556 1124907703 /nfs/dbraw/zinc/90/77/03/1124907703.db2.gz XOPPEOOXWFLTJX-OAGGEKHMSA-N 2 1 268.489 3.769 20 0 CHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC/C=C\c2ccccc2)C1 ZINC000450459107 1125036340 /nfs/dbraw/zinc/03/63/40/1125036340.db2.gz ZRGCURRDFKBSFK-JUIXODQZSA-N 2 1 298.474 3.754 20 0 CHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC/C=C\c2ccccc2)C1 ZINC000450459107 1125036349 /nfs/dbraw/zinc/03/63/49/1125036349.db2.gz ZRGCURRDFKBSFK-JUIXODQZSA-N 2 1 298.474 3.754 20 0 CHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC000450459107 1125036354 /nfs/dbraw/zinc/03/63/54/1125036354.db2.gz ZRGCURRDFKBSFK-JUIXODQZSA-N 2 1 298.474 3.754 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)CC/C=C/c2ccccc2)CC1 ZINC000450469983 1125039479 /nfs/dbraw/zinc/03/94/79/1125039479.db2.gz SFXSZMUFRGEHQZ-YRNVUSSQSA-N 2 1 286.463 3.896 20 0 CHADMP C[N@H+]1CCC[C@@H]2C[NH+](CC/C=C/c3ccccc3)CC[C@H]21 ZINC000450500976 1125046159 /nfs/dbraw/zinc/04/61/59/1125046159.db2.gz MCIMUHCPQWNJBT-XCACHIDISA-N 2 1 284.447 3.506 20 0 CHADMP C[NH+]1CCC[C@@H]2C[N@H+](CC/C=C/c3ccccc3)CC[C@H]21 ZINC000450500976 1125046167 /nfs/dbraw/zinc/04/61/67/1125046167.db2.gz MCIMUHCPQWNJBT-XCACHIDISA-N 2 1 284.447 3.506 20 0 CHADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC/C=C/c3ccccc3)CC[C@H]21 ZINC000450500976 1125046175 /nfs/dbraw/zinc/04/61/75/1125046175.db2.gz MCIMUHCPQWNJBT-XCACHIDISA-N 2 1 284.447 3.506 20 0 CHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CCC1 ZINC000390551390 1125100938 /nfs/dbraw/zinc/10/09/38/1125100938.db2.gz KEDUBJDBAYTPAT-GOSISDBHSA-N 2 1 286.463 3.677 20 0 CHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CCC1 ZINC000390551390 1125100941 /nfs/dbraw/zinc/10/09/41/1125100941.db2.gz KEDUBJDBAYTPAT-GOSISDBHSA-N 2 1 286.463 3.677 20 0 CHADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390727991 1125110843 /nfs/dbraw/zinc/11/08/43/1125110843.db2.gz SUNCVCYPLRQNEO-OTWHNJEPSA-N 2 1 286.463 3.677 20 0 CHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCSC(C)(C)C)C1 ZINC000878156170 1125124983 /nfs/dbraw/zinc/12/49/83/1125124983.db2.gz JNRITBZWPVAIFB-INIZCTEOSA-N 2 1 298.540 3.572 20 0 CHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCSC(C)(C)C)C1 ZINC000878156170 1125124990 /nfs/dbraw/zinc/12/49/90/1125124990.db2.gz JNRITBZWPVAIFB-INIZCTEOSA-N 2 1 298.540 3.572 20 0 CHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCSC(C)(C)C)C1 ZINC000878156170 1125124995 /nfs/dbraw/zinc/12/49/95/1125124995.db2.gz JNRITBZWPVAIFB-INIZCTEOSA-N 2 1 298.540 3.572 20 0 CHADMP CC(C)C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000530225197 1125133207 /nfs/dbraw/zinc/13/32/07/1125133207.db2.gz XBIDFFHURKMHKO-SJORKVTESA-N 2 1 272.436 3.648 20 0 CHADMP Cc1cc2cc([C@@H](C)[NH2+]CCc3c[nH+]cn3C)oc2cc1C ZINC000530407461 1125150797 /nfs/dbraw/zinc/15/07/97/1125150797.db2.gz JSZZCCJZLIRKIF-CQSZACIVSA-N 2 1 297.402 3.676 20 0 CHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1occc1C ZINC000530714344 1125172983 /nfs/dbraw/zinc/17/29/83/1125172983.db2.gz LJGBAUUUFQNQDU-HOTGVXAUSA-N 2 1 278.440 3.578 20 0 CHADMP CCc1ccc(CC[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000530901508 1125185471 /nfs/dbraw/zinc/18/54/71/1125185471.db2.gz GNVRNFKHUQHJAC-LPHOPBHVSA-N 2 1 288.479 3.596 20 0 CHADMP CCc1ccc(CC[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)cc1 ZINC000530901508 1125185473 /nfs/dbraw/zinc/18/54/73/1125185473.db2.gz GNVRNFKHUQHJAC-LPHOPBHVSA-N 2 1 288.479 3.596 20 0 CHADMP CCc1ccc(CC[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)cc1 ZINC000530901508 1125185476 /nfs/dbraw/zinc/18/54/76/1125185476.db2.gz GNVRNFKHUQHJAC-LPHOPBHVSA-N 2 1 288.479 3.596 20 0 CHADMP CCCCCC(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128071897 1125237913 /nfs/dbraw/zinc/23/79/13/1125237913.db2.gz IAUSLSVGPULCDN-HZPDHXFCSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000532205982 1125238186 /nfs/dbraw/zinc/23/81/86/1125238186.db2.gz OAYDRBGURCEZRH-RVKKMQEKSA-N 2 1 288.479 3.802 20 0 CHADMP CCN1CCC([N@@H+](C)[C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC001168179299 1125344018 /nfs/dbraw/zinc/34/40/18/1125344018.db2.gz IVZQRRFGNOYJBE-CQSZACIVSA-N 2 1 294.870 3.687 20 0 CHADMP CC[NH+]1CCC([N@H+](C)[C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC001168179299 1125344019 /nfs/dbraw/zinc/34/40/19/1125344019.db2.gz IVZQRRFGNOYJBE-CQSZACIVSA-N 2 1 294.870 3.687 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)[C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC001168179299 1125344021 /nfs/dbraw/zinc/34/40/21/1125344021.db2.gz IVZQRRFGNOYJBE-CQSZACIVSA-N 2 1 294.870 3.687 20 0 CHADMP C/C=C/C[C@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000626164225 1125385439 /nfs/dbraw/zinc/38/54/39/1125385439.db2.gz ZDRIOEACSMRDBR-IDOMTICXSA-N 2 1 275.440 3.650 20 0 CHADMP C/C=C/C[C@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000626164225 1125385442 /nfs/dbraw/zinc/38/54/42/1125385442.db2.gz ZDRIOEACSMRDBR-IDOMTICXSA-N 2 1 275.440 3.650 20 0 CHADMP CC(C)[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC000532446373 1125387684 /nfs/dbraw/zinc/38/76/84/1125387684.db2.gz QBMYQMKGTVDTBU-RDJZCZTQSA-N 2 1 266.473 3.523 20 0 CHADMP Cc1ccc(C2CC([NH2+]C[C@@H]3CC[N@H+](C(C)C)C3)C2)cc1 ZINC000040622718 1125389281 /nfs/dbraw/zinc/38/92/81/1125389281.db2.gz KVRJMOIGGGVMSM-IVMQYODDSA-N 2 1 286.463 3.561 20 0 CHADMP CC1CCC([N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001168221727 1125418332 /nfs/dbraw/zinc/41/83/32/1125418332.db2.gz NFMNDVOAMLCCEW-ZGUYJTEBSA-N 2 1 278.484 3.904 20 0 CHADMP CC1CCC([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)CC1 ZINC001168221727 1125418334 /nfs/dbraw/zinc/41/83/34/1125418334.db2.gz NFMNDVOAMLCCEW-ZGUYJTEBSA-N 2 1 278.484 3.904 20 0 CHADMP CC1CCC([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)CC1 ZINC001168221727 1125418336 /nfs/dbraw/zinc/41/83/36/1125418336.db2.gz NFMNDVOAMLCCEW-ZGUYJTEBSA-N 2 1 278.484 3.904 20 0 CHADMP CCC[C@@]1(C)CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000124785063 1125442241 /nfs/dbraw/zinc/44/22/41/1125442241.db2.gz GZFFAZBMJDYTLQ-KRWDZBQOSA-N 2 1 277.456 3.874 20 0 CHADMP CCC[C@@]1(C)CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000124785063 1125442245 /nfs/dbraw/zinc/44/22/45/1125442245.db2.gz GZFFAZBMJDYTLQ-KRWDZBQOSA-N 2 1 277.456 3.874 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000125783357 1125452874 /nfs/dbraw/zinc/45/28/74/1125452874.db2.gz NYISISIFOCYTHP-SJLPKXTDSA-N 2 1 274.452 3.848 20 0 CHADMP CC(C)[NH2+]C1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000108370888 1125454078 /nfs/dbraw/zinc/45/40/78/1125454078.db2.gz SDVSDMLHVKMAIC-UHFFFAOYSA-N 2 1 282.431 3.802 20 0 CHADMP CSC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001258331391 1129208455 /nfs/dbraw/zinc/20/84/55/1129208455.db2.gz NJLKZIHCZIMLBS-QLFBSQMISA-N 2 1 286.529 3.615 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@H]2CC2(F)F)c1 ZINC000638434205 1129258331 /nfs/dbraw/zinc/25/83/31/1129258331.db2.gz JDDYVINGAIHFSS-XJKSGUPXSA-N 2 1 296.405 3.660 20 0 CHADMP c1ccc([C@H]2C[C@H]([NH2+]CC3CCC3)CC[N@@H+]2C2CC2)cc1 ZINC000638437970 1129258534 /nfs/dbraw/zinc/25/85/34/1129258534.db2.gz QZZQNGRZNMBVKI-IEBWSBKVSA-N 2 1 284.447 3.744 20 0 CHADMP c1ccc([C@H]2C[C@H]([NH2+]CC3CCC3)CC[N@H+]2C2CC2)cc1 ZINC000638437970 1129258537 /nfs/dbraw/zinc/25/85/37/1129258537.db2.gz QZZQNGRZNMBVKI-IEBWSBKVSA-N 2 1 284.447 3.744 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]C1CCC(=C2CCC2)CC1 ZINC000638675601 1129265818 /nfs/dbraw/zinc/26/58/18/1129265818.db2.gz XUDXXHIWTCKLRR-UHFFFAOYSA-N 2 1 287.451 3.984 20 0 CHADMP Cc1nccn1CCCC[N@H+]1CC[C@H](c2ccccc2C)C1 ZINC000348080598 1129277565 /nfs/dbraw/zinc/27/75/65/1129277565.db2.gz RADLTZQWXFVACO-SFHVURJKSA-N 2 1 297.446 3.770 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000348080598 1129277567 /nfs/dbraw/zinc/27/75/67/1129277567.db2.gz RADLTZQWXFVACO-SFHVURJKSA-N 2 1 297.446 3.770 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](c2ccccc2C)C1 ZINC000348080598 1129277571 /nfs/dbraw/zinc/27/75/71/1129277571.db2.gz RADLTZQWXFVACO-SFHVURJKSA-N 2 1 297.446 3.770 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758648 1129333246 /nfs/dbraw/zinc/33/32/46/1129333246.db2.gz WYTVWOSAXZOCSA-CQSZACIVSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@H](c1ccccc1)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639980935 1129342556 /nfs/dbraw/zinc/34/25/56/1129342556.db2.gz DWWGWGGXMJXSCR-MRXNPFEDSA-N 2 1 272.436 3.698 20 0 CHADMP CCCCC[C@@H](CC)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001258437883 1129355752 /nfs/dbraw/zinc/35/57/52/1129355752.db2.gz KADJMRFURUBQEF-MRXNPFEDSA-N 3 1 299.547 3.821 20 0 CHADMP CCC[C@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)c1ccccn1 ZINC000643453414 1129442224 /nfs/dbraw/zinc/44/22/24/1129442224.db2.gz VRLKWNFZBFUEBJ-RYRKJORJSA-N 2 1 289.467 3.823 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000643503045 1129442840 /nfs/dbraw/zinc/44/28/40/1129442840.db2.gz ZLBGTBFFZRWFRX-QNWHQSFQSA-N 2 1 298.883 3.625 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(C)(C)c2ccccc2)C1 ZINC000180486455 1129483105 /nfs/dbraw/zinc/48/31/05/1129483105.db2.gz PKMZTRQABPJQNL-KRWDZBQOSA-N 2 1 288.479 3.628 20 0 CHADMP Cc1cccc2c1cc[nH+]c2NCC1CC[NH+](C2CC2)CC1 ZINC000645226320 1129492364 /nfs/dbraw/zinc/49/23/64/1129492364.db2.gz PZUAXYYDMIRDDB-UHFFFAOYSA-N 2 1 295.430 3.830 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]C1(c2ccccc2Cl)CC1 ZINC000645977663 1129514925 /nfs/dbraw/zinc/51/49/25/1129514925.db2.gz HMGXCUKNUGUQCU-UHFFFAOYSA-N 2 1 289.810 3.514 20 0 CHADMP CC1([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000647196853 1129555696 /nfs/dbraw/zinc/55/56/96/1129555696.db2.gz PVJNCHHGZPXYJR-KRWDZBQOSA-N 2 1 284.447 3.716 20 0 CHADMP CC1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000647196853 1129555700 /nfs/dbraw/zinc/55/57/00/1129555700.db2.gz PVJNCHHGZPXYJR-KRWDZBQOSA-N 2 1 284.447 3.716 20 0 CHADMP Cc1cccc(C2([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)c1 ZINC000647236864 1129559736 /nfs/dbraw/zinc/55/97/36/1129559736.db2.gz PHGSTFILFCBIST-QZTJIDSGSA-N 2 1 284.447 3.591 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C1CCCC1 ZINC000647344278 1129572113 /nfs/dbraw/zinc/57/21/13/1129572113.db2.gz NHPSANOKAIBUCB-IPELMVKDSA-N 2 1 286.463 3.500 20 0 CHADMP c1c2ccccc2sc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647483000 1129578481 /nfs/dbraw/zinc/57/84/81/1129578481.db2.gz QMJBWHIYJINQTK-UHFFFAOYSA-N 2 1 286.444 3.618 20 0 CHADMP Fc1ccc(C[N@@H+](C[C@H]2CC[NH2+]C2)C2CCCCC2)cc1 ZINC000647872760 1129586080 /nfs/dbraw/zinc/58/60/80/1129586080.db2.gz PBARJDYHCSDCNO-INIZCTEOSA-N 2 1 290.426 3.570 20 0 CHADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000390792859 1129659412 /nfs/dbraw/zinc/65/94/12/1129659412.db2.gz XNWCVHBSSASXHP-YQVWRLOYSA-N 2 1 288.479 3.923 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C3CCCC3)C2)s1 ZINC000649603510 1129662700 /nfs/dbraw/zinc/66/27/00/1129662700.db2.gz QJDXGRCFKNFJCC-OAHLLOKOSA-N 2 1 292.492 3.753 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C3CCCC3)C2)s1 ZINC000649603510 1129662701 /nfs/dbraw/zinc/66/27/01/1129662701.db2.gz QJDXGRCFKNFJCC-OAHLLOKOSA-N 2 1 292.492 3.753 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C3CCCC3)C2)s1 ZINC000649603510 1129662703 /nfs/dbraw/zinc/66/27/03/1129662703.db2.gz QJDXGRCFKNFJCC-OAHLLOKOSA-N 2 1 292.492 3.753 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C3CCCC3)C2)s1 ZINC000649603510 1129662705 /nfs/dbraw/zinc/66/27/05/1129662705.db2.gz QJDXGRCFKNFJCC-OAHLLOKOSA-N 2 1 292.492 3.753 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+]C1(c2ccccc2Cl)CCC1 ZINC000649644042 1129665777 /nfs/dbraw/zinc/66/57/77/1129665777.db2.gz QEZLBMPYRKYEEH-UHFFFAOYSA-N 2 1 289.810 3.514 20 0 CHADMP CC(C)C[C@H](Cc1ccccc1)[N@@H+](C)C1CCN(C)CC1 ZINC001169070836 1129695529 /nfs/dbraw/zinc/69/55/29/1129695529.db2.gz UKIXRFRRHPPAOP-LJQANCHMSA-N 2 1 288.479 3.670 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C)c1 ZINC001169099544 1129696276 /nfs/dbraw/zinc/69/62/76/1129696276.db2.gz ATPOCOQFUXODEK-ZJPYXAASSA-N 2 1 272.436 3.661 20 0 CHADMP CCC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccs1 ZINC001169096062 1129696296 /nfs/dbraw/zinc/69/62/96/1129696296.db2.gz UJPJZIHJCKCRPY-APIJFGDWSA-N 2 1 278.465 3.804 20 0 CHADMP CCC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001169098876 1129696518 /nfs/dbraw/zinc/69/65/18/1129696518.db2.gz LXDGQVIVYCZIGQ-ZJPYXAASSA-N 2 1 272.436 3.743 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCC(C(C)(C)C)CC1)C2 ZINC001169094907 1129696571 /nfs/dbraw/zinc/69/65/71/1129696571.db2.gz NCJRMJGGGYDEAB-BOXKHOIUSA-N 2 1 278.484 3.806 20 0 CHADMP Cc1cccc([C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C(C)C)c1 ZINC001169119347 1129700472 /nfs/dbraw/zinc/70/04/72/1129700472.db2.gz RRODKXPNHVBCQM-AKHDSKFASA-N 2 1 286.463 3.907 20 0 CHADMP CCc1ccc[nH+]c1N[C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169139581 1129702184 /nfs/dbraw/zinc/70/21/84/1129702184.db2.gz CBFZBSXRNXSENK-PBHICJAKSA-N 2 1 275.440 3.600 20 0 CHADMP Cc1cccc(C2([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCC2)c1 ZINC001169109564 1129703234 /nfs/dbraw/zinc/70/32/34/1129703234.db2.gz DIUNDQKSFJQFAD-NNZMDNLPSA-N 2 1 284.447 3.589 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](c2cccc(F)c2)C(C)C)CC1 ZINC001169229885 1129710642 /nfs/dbraw/zinc/71/06/42/1129710642.db2.gz JJDZZEDTAPEQOS-QGZVFWFLSA-N 2 1 278.415 3.597 20 0 CHADMP CC[NH+]1CCC([NH2+]C(C)(C)Cc2ccc(Cl)cc2)CC1 ZINC001169225697 1129710798 /nfs/dbraw/zinc/71/07/98/1129710798.db2.gz ZOOQTMIANNNTJI-UHFFFAOYSA-N 2 1 294.870 3.735 20 0 CHADMP CCN1CCC([N@H+]2CCCC[C@H]2c2ccccc2)CC1 ZINC001169247058 1129712348 /nfs/dbraw/zinc/71/23/48/1129712348.db2.gz XVFCLHHLCQSLEM-SFHVURJKSA-N 2 1 272.436 3.698 20 0 CHADMP CC[NH+]1CCC([N@@H+]2CCCC[C@H]2c2ccccc2)CC1 ZINC001169247058 1129712350 /nfs/dbraw/zinc/71/23/50/1129712350.db2.gz XVFCLHHLCQSLEM-SFHVURJKSA-N 2 1 272.436 3.698 20 0 CHADMP CC[NH+]1CCC([N@H+]2CCCC[C@H]2c2ccccc2)CC1 ZINC001169247058 1129712351 /nfs/dbraw/zinc/71/23/51/1129712351.db2.gz XVFCLHHLCQSLEM-SFHVURJKSA-N 2 1 272.436 3.698 20 0 CHADMP C[C@H]1c2sccc2CC[N@@H+]1CCCCCCC[NH3+] ZINC000712356540 1129757933 /nfs/dbraw/zinc/75/79/33/1129757933.db2.gz KJFUKIBZWFRLQS-ZDUSSCGKSA-N 2 1 266.454 3.576 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(C)(C)C2CC2)C[C@H]1C ZINC000653564139 1129784921 /nfs/dbraw/zinc/78/49/21/1129784921.db2.gz RBDCBEQDAMYGPM-ZBFHGGJFSA-N 2 1 266.473 3.617 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](C)[C@H](C)C1 ZINC001258908268 1129845832 /nfs/dbraw/zinc/84/58/32/1129845832.db2.gz UFJLYWGZNXSJAL-ZACQAIPSSA-N 2 1 268.489 3.865 20 0 CHADMP COc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1C ZINC000902405292 1130006991 /nfs/dbraw/zinc/00/69/91/1130006991.db2.gz LUWNSKBDBTWTJL-JEBQAFNWSA-N 2 1 296.414 3.799 20 0 CHADMP c1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C2CC2)cc1 ZINC000903062452 1130107618 /nfs/dbraw/zinc/10/76/18/1130107618.db2.gz RVMUQNGBTZUXRH-QZNYNHHHSA-N 2 1 296.458 3.885 20 0 CHADMP C[C@@H]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903076215 1130108613 /nfs/dbraw/zinc/10/86/13/1130108613.db2.gz LNNLKUNMZLGVIV-XILPPMENSA-N 2 1 276.468 3.560 20 0 CHADMP CC(C)CSCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903126138 1130116556 /nfs/dbraw/zinc/11/65/56/1130116556.db2.gz BNNQDDTZWVNPPW-ZXFUBFMLSA-N 2 1 296.524 3.513 20 0 CHADMP CC[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903175512 1130125038 /nfs/dbraw/zinc/12/50/38/1130125038.db2.gz UCARWWOWSGUALS-SUNLMIOLSA-N 2 1 276.468 3.703 20 0 CHADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CCCC1 ZINC000903186650 1130125645 /nfs/dbraw/zinc/12/56/45/1130125645.db2.gz MZJQABUDJBIUQA-ONQFOCNCSA-N 2 1 276.468 3.703 20 0 CHADMP FC1(F)CCC[C@@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903216953 1130131319 /nfs/dbraw/zinc/13/13/19/1130131319.db2.gz LMKRNLUFUHAFQN-WPXLMEDKSA-N 2 1 298.421 3.559 20 0 CHADMP CC(C)=CCC[C@@H](C)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903383323 1130168927 /nfs/dbraw/zinc/16/89/27/1130168927.db2.gz LRLUGDFEYZPDOT-SJLPKXTDSA-N 2 1 289.467 3.799 20 0 CHADMP CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903473861 1130180495 /nfs/dbraw/zinc/18/04/95/1130180495.db2.gz APZFDXPJDAMYPZ-COXVUDFISA-N 2 1 290.426 3.521 20 0 CHADMP C[N@@H+](CCc1cccc2ccccc21)CC1CC[NH+](C)CC1 ZINC000788475092 1130188990 /nfs/dbraw/zinc/18/89/90/1130188990.db2.gz ABGQTWLSCIQJQJ-UHFFFAOYSA-N 2 1 296.458 3.656 20 0 CHADMP CCCC[N@@H+](C[C@H]([NH3+])CC(F)F)[C@H](C)c1ccccc1 ZINC000903894663 1130208151 /nfs/dbraw/zinc/20/81/51/1130208151.db2.gz BDMQELZYLSTZAQ-UKRRQHHQSA-N 2 1 284.394 3.832 20 0 CHADMP c1cc2c[nH+]cc(C3=CCC[N@@H+](Cc4ccccc4)C3)c2[nH]1 ZINC001240388700 1130285957 /nfs/dbraw/zinc/28/59/57/1130285957.db2.gz RRLRARPXSRLSIM-UHFFFAOYSA-N 2 1 289.382 3.852 20 0 CHADMP c1cc2c[nH+]cc(C3=CCC[N@H+](Cc4ccccc4)C3)c2[nH]1 ZINC001240388700 1130285960 /nfs/dbraw/zinc/28/59/60/1130285960.db2.gz RRLRARPXSRLSIM-UHFFFAOYSA-N 2 1 289.382 3.852 20 0 CHADMP c1ccc(CCCCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000677237418 1130296558 /nfs/dbraw/zinc/29/65/58/1130296558.db2.gz GPIWJZKNUFTKHB-MOPGFXCFSA-N 2 1 286.463 3.616 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000677237858 1130298460 /nfs/dbraw/zinc/29/84/60/1130298460.db2.gz OBXKYQASPOYBDR-SQNIBIBYSA-N 2 1 278.484 3.952 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000678079654 1130348874 /nfs/dbraw/zinc/34/88/74/1130348874.db2.gz VGJUIFYMODUWBR-GOSISDBHSA-N 2 1 299.418 3.514 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000678079654 1130348877 /nfs/dbraw/zinc/34/88/77/1130348877.db2.gz VGJUIFYMODUWBR-GOSISDBHSA-N 2 1 299.418 3.514 20 0 CHADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001170151613 1130358435 /nfs/dbraw/zinc/35/84/35/1130358435.db2.gz GVHCDLLEFGFZKW-RLLQIKCJSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@@H]1CC[C@@H]([NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001170151613 1130358440 /nfs/dbraw/zinc/35/84/40/1130358440.db2.gz GVHCDLLEFGFZKW-RLLQIKCJSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@@H]1CC[C@@H]([NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001170151613 1130358445 /nfs/dbraw/zinc/35/84/45/1130358445.db2.gz GVHCDLLEFGFZKW-RLLQIKCJSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)C1 ZINC001170153321 1130363180 /nfs/dbraw/zinc/36/31/80/1130363180.db2.gz ZYPCEPXGEZDFTH-LTIDMASMSA-N 2 1 264.457 3.514 20 0 CHADMP C[C@@H]1CC[C@@H]([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)C1 ZINC001170153321 1130363184 /nfs/dbraw/zinc/36/31/84/1130363184.db2.gz ZYPCEPXGEZDFTH-LTIDMASMSA-N 2 1 264.457 3.514 20 0 CHADMP C[C@@H]1CC[C@@H]([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)C1 ZINC001170153321 1130363189 /nfs/dbraw/zinc/36/31/89/1130363189.db2.gz ZYPCEPXGEZDFTH-LTIDMASMSA-N 2 1 264.457 3.514 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2C2CC2)C1 ZINC000678284158 1130390367 /nfs/dbraw/zinc/39/03/67/1130390367.db2.gz WJINAHSWIOZOQS-INIZCTEOSA-N 2 1 286.463 3.728 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2C2CC2)C1 ZINC000678284158 1130390371 /nfs/dbraw/zinc/39/03/71/1130390371.db2.gz WJINAHSWIOZOQS-INIZCTEOSA-N 2 1 286.463 3.728 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000678284158 1130390377 /nfs/dbraw/zinc/39/03/77/1130390377.db2.gz WJINAHSWIOZOQS-INIZCTEOSA-N 2 1 286.463 3.728 20 0 CHADMP CCCC1CCC(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000678497167 1130422956 /nfs/dbraw/zinc/42/29/56/1130422956.db2.gz KWLXGWOJIWFBFY-ZGUYJTEBSA-N 2 1 278.484 3.809 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CC(C)(C)c2ccccc2)C[C@H]1C ZINC000678832536 1130462677 /nfs/dbraw/zinc/46/26/77/1130462677.db2.gz GCWPKRICWGAFNP-AEFFLSMTSA-N 2 1 288.479 3.769 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CC(C)(C)c2ccccc2)C[C@H]1C ZINC000678832536 1130462679 /nfs/dbraw/zinc/46/26/79/1130462679.db2.gz GCWPKRICWGAFNP-AEFFLSMTSA-N 2 1 288.479 3.769 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CC(C)(C)c2ccccc2)C[C@H]1C ZINC000678832536 1130462682 /nfs/dbraw/zinc/46/26/82/1130462682.db2.gz GCWPKRICWGAFNP-AEFFLSMTSA-N 2 1 288.479 3.769 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000678887054 1130467620 /nfs/dbraw/zinc/46/76/20/1130467620.db2.gz UYMQQBNTOHJAAU-BEFAXECRSA-N 2 1 297.446 3.959 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)[C@H](C)Cc1ccccc1Cl ZINC001170290354 1130480800 /nfs/dbraw/zinc/48/08/00/1130480800.db2.gz AJXMIEZIUHHGDT-CQSZACIVSA-N 2 1 282.859 3.545 20 0 CHADMP Cc1cccc(C2([NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)CCCC2)c1 ZINC000679127512 1130495247 /nfs/dbraw/zinc/49/52/47/1130495247.db2.gz CWTRGXLKANFWLR-SJLPKXTDSA-N 2 1 286.463 3.837 20 0 CHADMP Cc1cccc(C2([NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)CCCC2)c1 ZINC000679127512 1130495251 /nfs/dbraw/zinc/49/52/51/1130495251.db2.gz CWTRGXLKANFWLR-SJLPKXTDSA-N 2 1 286.463 3.837 20 0 CHADMP C[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000679393207 1130525898 /nfs/dbraw/zinc/52/58/98/1130525898.db2.gz HTPUJHAXXYTNNP-XLNTUCKNSA-N 2 1 298.474 3.818 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCCC2CC2)C3)cc1 ZINC000679395670 1130527891 /nfs/dbraw/zinc/52/78/91/1130527891.db2.gz ZXXGJXQZNQMQSS-ACDBMABISA-N 2 1 298.474 3.962 20 0 CHADMP CC1=C[C@H](C)[C@@H](C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)CC1 ZINC001206580568 1130538178 /nfs/dbraw/zinc/53/81/78/1130538178.db2.gz FCJDFVADZOZECY-KSZLIROESA-N 2 1 278.484 3.831 20 0 CHADMP Cc1ccc(C[N@H+](C)C2CC[NH+](C(C)(C)C)CC2)cc1C ZINC001256576989 1130676657 /nfs/dbraw/zinc/67/66/57/1130676657.db2.gz XDDOIIYPXFOUDG-UHFFFAOYSA-N 2 1 288.479 3.998 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235033243 1130702738 /nfs/dbraw/zinc/70/27/38/1130702738.db2.gz WLTSYVDPUVYROZ-CWIOURORSA-N 2 1 264.457 3.589 20 0 CHADMP CCCC[C@H](CC)C[N@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001235088678 1130709244 /nfs/dbraw/zinc/70/92/44/1130709244.db2.gz NVTUULMDHYCLDD-GJZGRUSLSA-N 2 1 288.426 3.524 20 0 CHADMP c1cc(-c2ccccc2)sc1C[N@@H+]1CCC12CC[NH2+]CC2 ZINC001235103087 1130710213 /nfs/dbraw/zinc/71/02/13/1130710213.db2.gz RMHVPOQJZMIBOA-UHFFFAOYSA-N 2 1 298.455 3.743 20 0 CHADMP c1cc(-c2ccccc2)sc1C[N@H+]1CCC12CC[NH2+]CC2 ZINC001235103087 1130710215 /nfs/dbraw/zinc/71/02/15/1130710215.db2.gz RMHVPOQJZMIBOA-UHFFFAOYSA-N 2 1 298.455 3.743 20 0 CHADMP c1ccc(-c2ccccc2C[N@@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001235110347 1130711367 /nfs/dbraw/zinc/71/13/67/1130711367.db2.gz KWDRHDDZGGKROS-HXUWFJFHSA-N 2 1 292.426 3.682 20 0 CHADMP c1ccc(-c2ccccc2C[N@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001235110347 1130711371 /nfs/dbraw/zinc/71/13/71/1130711371.db2.gz KWDRHDDZGGKROS-HXUWFJFHSA-N 2 1 292.426 3.682 20 0 CHADMP c1ccc2c(c1)cccc2C[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235124331 1130712967 /nfs/dbraw/zinc/71/29/67/1130712967.db2.gz MQLAXDUBCXCNCZ-LJQANCHMSA-N 2 1 280.415 3.558 20 0 CHADMP c1ccc2c(c1)cccc2C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235124331 1130712969 /nfs/dbraw/zinc/71/29/69/1130712969.db2.gz MQLAXDUBCXCNCZ-LJQANCHMSA-N 2 1 280.415 3.558 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235125201 1130713692 /nfs/dbraw/zinc/71/36/92/1130713692.db2.gz NQZXDADKKWDSBL-MSOLQXFVSA-N 2 1 278.484 3.977 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235125201 1130713697 /nfs/dbraw/zinc/71/36/97/1130713697.db2.gz NQZXDADKKWDSBL-MSOLQXFVSA-N 2 1 278.484 3.977 20 0 CHADMP C(C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1)C1CCCCC1 ZINC001235151586 1130714895 /nfs/dbraw/zinc/71/48/95/1130714895.db2.gz IBZDDDHGSZOBPO-SFHVURJKSA-N 2 1 278.484 3.811 20 0 CHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1C ZINC001235160711 1130716206 /nfs/dbraw/zinc/71/62/06/1130716206.db2.gz YSGHKJRPJQTCNL-LJQANCHMSA-N 2 1 286.463 3.658 20 0 CHADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCCC[C@]23CCC[NH2+]C3)CC1 ZINC001235171270 1130717457 /nfs/dbraw/zinc/71/74/57/1130717457.db2.gz IHKLNJCNUVTFIK-RCCFBDPRSA-N 2 1 276.468 3.587 20 0 CHADMP c1ccc2cc(C[N@@H+]3CCCC[C@]34CCC[NH2+]C4)ccc2c1 ZINC001235172405 1130717508 /nfs/dbraw/zinc/71/75/08/1130717508.db2.gz MNKMRLHINKPHPB-HXUWFJFHSA-N 2 1 294.442 3.948 20 0 CHADMP c1ccc2cc(C[N@H+]3CCCC[C@]34CCC[NH2+]C4)ccc2c1 ZINC001235172405 1130717513 /nfs/dbraw/zinc/71/75/13/1130717513.db2.gz MNKMRLHINKPHPB-HXUWFJFHSA-N 2 1 294.442 3.948 20 0 CHADMP Cc1cc(C)c(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1C ZINC001235179536 1130719903 /nfs/dbraw/zinc/71/99/03/1130719903.db2.gz QYHWOVOCJGSNMN-IBGZPJMESA-N 2 1 286.463 3.720 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1C ZINC001235179536 1130719908 /nfs/dbraw/zinc/71/99/08/1130719908.db2.gz QYHWOVOCJGSNMN-IBGZPJMESA-N 2 1 286.463 3.720 20 0 CHADMP c1c2ccccc2oc1C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235190580 1130721413 /nfs/dbraw/zinc/72/14/13/1130721413.db2.gz WOLJECSLCGQGAM-UHFFFAOYSA-N 2 1 284.403 3.541 20 0 CHADMP c1ccc(CCCC[N@@H+]2CCCCC23CC[NH2+]CC3)cc1 ZINC001235189855 1130721421 /nfs/dbraw/zinc/72/14/21/1130721421.db2.gz FLDBXCUNPQXIIN-UHFFFAOYSA-N 2 1 286.463 3.617 20 0 CHADMP c1ccc(CCCC[N@H+]2CCCCC23CC[NH2+]CC3)cc1 ZINC001235189855 1130721425 /nfs/dbraw/zinc/72/14/25/1130721425.db2.gz FLDBXCUNPQXIIN-UHFFFAOYSA-N 2 1 286.463 3.617 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc[nH]1 ZINC000781515909 1130723140 /nfs/dbraw/zinc/72/31/40/1130723140.db2.gz AVYONHUWZKGVCK-RYRKJORJSA-N 2 1 297.446 3.718 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc[nH]1 ZINC000781515909 1130723145 /nfs/dbraw/zinc/72/31/45/1130723145.db2.gz AVYONHUWZKGVCK-RYRKJORJSA-N 2 1 297.446 3.718 20 0 CHADMP CC/C=C\CC[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235247325 1130726781 /nfs/dbraw/zinc/72/67/81/1130726781.db2.gz GAMZRWVPXFPSRN-IFEVLTCRSA-N 2 1 284.447 3.564 20 0 CHADMP CC/C=C\CC[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235247325 1130726786 /nfs/dbraw/zinc/72/67/86/1130726786.db2.gz GAMZRWVPXFPSRN-IFEVLTCRSA-N 2 1 284.447 3.564 20 0 CHADMP c1csc(-c2ccccc2C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC001235276616 1130730841 /nfs/dbraw/zinc/73/08/41/1130730841.db2.gz ZRFPDIFIAUMNSJ-RDJZCZTQSA-N 2 1 298.455 3.599 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235402326 1130739040 /nfs/dbraw/zinc/73/90/40/1130739040.db2.gz IWNDTQHDWOOAOA-QCDWVSHVSA-N 2 1 282.447 3.537 20 0 CHADMP c1cc2cc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)ccc2o1 ZINC001235422786 1130741999 /nfs/dbraw/zinc/74/19/99/1130741999.db2.gz FMFCSNWZVVIWCJ-MSOLQXFVSA-N 2 1 298.430 3.644 20 0 CHADMP C(CC1CCCC1)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235424007 1130742414 /nfs/dbraw/zinc/74/24/14/1130742414.db2.gz IOGADNRBEPEMKD-QZTJIDSGSA-N 2 1 278.484 3.668 20 0 CHADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001235425701 1130742474 /nfs/dbraw/zinc/74/24/74/1130742474.db2.gz MMQDPKIKXMJAFR-ZSYWTGECSA-N 2 1 290.495 3.690 20 0 CHADMP Clc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235424841 1130742748 /nfs/dbraw/zinc/74/27/48/1130742748.db2.gz KODAWSSPOXLUDZ-JKSUJKDBSA-N 2 1 292.854 3.552 20 0 CHADMP Cc1cccc(C)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235423594 1130742758 /nfs/dbraw/zinc/74/27/58/1130742758.db2.gz HBFJFFBZPUUUEQ-ROUUACIJSA-N 2 1 286.463 3.515 20 0 CHADMP CC/C=C\CCCCCC[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235433657 1130743581 /nfs/dbraw/zinc/74/35/81/1130743581.db2.gz SPPZPLDSIZSLRE-PLNGDYQASA-N 2 1 266.473 3.835 20 0 CHADMP c1cc2c(cccc2C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC001235429671 1130744175 /nfs/dbraw/zinc/74/41/75/1130744175.db2.gz UXMDVSCZFAZCTM-HZPDHXFCSA-N 2 1 298.430 3.644 20 0 CHADMP Cc1ccccc1[C@H]1CCC[N@H+]1C[C@H](N)Cc1ccccc1 ZINC001235439103 1130744533 /nfs/dbraw/zinc/74/45/33/1130744533.db2.gz BBLHOAJBTKSEIH-UYAOXDASSA-N 2 1 294.442 3.702 20 0 CHADMP Cc1ccccc1[C@H]1CCC[N@@H+]1C[C@H]([NH3+])Cc1ccccc1 ZINC001235439103 1130744538 /nfs/dbraw/zinc/74/45/38/1130744538.db2.gz BBLHOAJBTKSEIH-UYAOXDASSA-N 2 1 294.442 3.702 20 0 CHADMP CCCC[N@@H+](Cc1ccccc1)Cc1ccc(C[NH3+])cc1 ZINC001235663821 1130763273 /nfs/dbraw/zinc/76/32/73/1130763273.db2.gz LNHFGLZBQRDGDO-UHFFFAOYSA-N 2 1 282.431 3.948 20 0 CHADMP Fc1ccccc1[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC001235679035 1130767743 /nfs/dbraw/zinc/76/77/43/1130767743.db2.gz ODISUUZTWKEQHH-YJBOKZPZSA-N 2 1 290.426 3.885 20 0 CHADMP Fc1ccccc1[C@@H]1CCCC[N@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC001235679035 1130767746 /nfs/dbraw/zinc/76/77/46/1130767746.db2.gz ODISUUZTWKEQHH-YJBOKZPZSA-N 2 1 290.426 3.885 20 0 CHADMP [NH3+]CCCCC[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC001235693517 1130770400 /nfs/dbraw/zinc/77/04/00/1130770400.db2.gz BSTJWYILEFSDSS-HNNXBMFYSA-N 2 1 266.816 3.606 20 0 CHADMP c1cc(-c2ccccc2)sc1C[N@@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235710706 1130771385 /nfs/dbraw/zinc/77/13/85/1130771385.db2.gz DPPHLRPBNPODIU-UHFFFAOYSA-N 2 1 298.455 3.601 20 0 CHADMP c1cc(-c2ccccc2)sc1C[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235710706 1130771387 /nfs/dbraw/zinc/77/13/87/1130771387.db2.gz DPPHLRPBNPODIU-UHFFFAOYSA-N 2 1 298.455 3.601 20 0 CHADMP CC[C@H]([NH3+])C[NH+]1CCC(c2ccc3ccccc3c2)CC1 ZINC001235714122 1130771485 /nfs/dbraw/zinc/77/14/85/1130771485.db2.gz HEOYEFOGQDFXPA-IBGZPJMESA-N 2 1 282.431 3.757 20 0 CHADMP c1ccc(-c2ccccc2C[N@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001235710881 1130771879 /nfs/dbraw/zinc/77/18/79/1130771879.db2.gz JNPUBRWEQAXVMZ-UHFFFAOYSA-N 2 1 292.426 3.539 20 0 CHADMP Cc1cc(F)cc(Cl)c1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235718290 1130773442 /nfs/dbraw/zinc/77/34/42/1130773442.db2.gz WGZDVPPBTYESRC-UHFFFAOYSA-N 2 1 298.833 3.609 20 0 CHADMP CC(C)c1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)ccc1Cl ZINC001235809847 1130782869 /nfs/dbraw/zinc/78/28/69/1130782869.db2.gz KTNYSNVOQYFYQU-QDMKHBRRSA-N 2 1 292.854 3.918 20 0 CHADMP CC(C)c1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)ccc1Cl ZINC001235809847 1130782872 /nfs/dbraw/zinc/78/28/72/1130782872.db2.gz KTNYSNVOQYFYQU-QDMKHBRRSA-N 2 1 292.854 3.918 20 0 CHADMP Clc1ccccc1[C@@H]1CC[N@@H+](CC[C@H]2CCCC[NH2+]2)C1 ZINC001235824988 1130783306 /nfs/dbraw/zinc/78/33/06/1130783306.db2.gz FASMPQOKJBDXEY-HUUCEWRRSA-N 2 1 292.854 3.662 20 0 CHADMP C[N@H+](Cc1sc(Cl)c2ccccc21)C[C@@H]1CC[NH2+]C1 ZINC001235840310 1130787827 /nfs/dbraw/zinc/78/78/27/1130787827.db2.gz JGFUYIFATXQDHT-LLVKDONJSA-N 2 1 294.851 3.596 20 0 CHADMP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001235891993 1130794699 /nfs/dbraw/zinc/79/46/99/1130794699.db2.gz JIIHXDREZIVRJF-KGLIPLIRSA-N 2 1 299.462 3.777 20 0 CHADMP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001235891993 1130794703 /nfs/dbraw/zinc/79/47/03/1130794703.db2.gz JIIHXDREZIVRJF-KGLIPLIRSA-N 2 1 299.462 3.777 20 0 CHADMP CC1(C)[C@@H]2C[C@H]([NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001170715382 1130796309 /nfs/dbraw/zinc/79/63/09/1130796309.db2.gz GZPYSHJIYVZGBC-OKYOBFRVSA-N 2 1 298.474 3.533 20 0 CHADMP Cc1c(C)c(C)c(C[N@H+]2C[C@@H]([NH3+])CC[C@@H]2C)c(C)c1C ZINC001235905057 1130802487 /nfs/dbraw/zinc/80/24/87/1130802487.db2.gz KPAJBFSCOJQOMK-GTNSWQLSSA-N 2 1 274.452 3.540 20 0 CHADMP Cc1c(C)c(C)c(C[N@@H+]2C[C@@H]([NH3+])CC[C@@H]2C)c(C)c1C ZINC001235905057 1130802492 /nfs/dbraw/zinc/80/24/92/1130802492.db2.gz KPAJBFSCOJQOMK-GTNSWQLSSA-N 2 1 274.452 3.540 20 0 CHADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1cc(-c2ccsc2)cs1 ZINC001235925366 1130806074 /nfs/dbraw/zinc/80/60/74/1130806074.db2.gz JMKFHPRKRPDRRY-AWEZNQCLSA-N 2 1 292.473 3.790 20 0 CHADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccc(Oc2ccccc2)cc1 ZINC001235925156 1130806804 /nfs/dbraw/zinc/80/68/04/1130806804.db2.gz JEXMTIOJCQJYNN-KRWDZBQOSA-N 2 1 296.414 3.792 20 0 CHADMP CC(C)c1cc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)ccc1Cl ZINC001235933949 1130809387 /nfs/dbraw/zinc/80/93/87/1130809387.db2.gz ANAMOFCFVLQOLN-CABCVRRESA-N 2 1 292.854 3.505 20 0 CHADMP CC(C)c1cc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)ccc1Cl ZINC001235933949 1130809392 /nfs/dbraw/zinc/80/93/92/1130809392.db2.gz ANAMOFCFVLQOLN-CABCVRRESA-N 2 1 292.854 3.505 20 0 CHADMP [NH3+]CCCCC[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC001235948875 1130814418 /nfs/dbraw/zinc/81/44/18/1130814418.db2.gz VDOSBHQSPBUJMP-UHFFFAOYSA-N 2 1 296.458 3.860 20 0 CHADMP CC1(C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)CC[NH2+]CC1 ZINC001235950147 1130814866 /nfs/dbraw/zinc/81/48/66/1130814866.db2.gz RTRXTCLMPPHLGX-HNNXBMFYSA-N 2 1 292.854 3.519 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235951961 1130815552 /nfs/dbraw/zinc/81/55/52/1130815552.db2.gz WKLDPZZMYCQVHB-IAGOWNOFSA-N 2 1 266.473 3.690 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235956777 1130817248 /nfs/dbraw/zinc/81/72/48/1130817248.db2.gz HZCRMVMUDQJLBK-INIZCTEOSA-N 2 1 282.431 3.580 20 0 CHADMP C[C@@H]1C[C@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000814173051 1130833736 /nfs/dbraw/zinc/83/37/36/1130833736.db2.gz HFFCJWOIHJGZHJ-XAOHYQHJSA-N 2 1 298.474 3.818 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1C[C@H]([NH3+])C[C@H](C)C1 ZINC001236049861 1130838319 /nfs/dbraw/zinc/83/83/19/1130838319.db2.gz QZIOGPIHUXMEIT-MAUKXSAKSA-N 2 1 294.442 3.831 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1C[C@H]([NH3+])C[C@H](C)C1 ZINC001236049861 1130838326 /nfs/dbraw/zinc/83/83/26/1130838326.db2.gz QZIOGPIHUXMEIT-MAUKXSAKSA-N 2 1 294.442 3.831 20 0 CHADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3ccccc3)c2)C1 ZINC001236066093 1130846167 /nfs/dbraw/zinc/84/61/67/1130846167.db2.gz DYTQYXGXIMVLFS-INIZCTEOSA-N 2 1 298.405 3.534 20 0 CHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3ccccc3)c2)C1 ZINC001236066093 1130846174 /nfs/dbraw/zinc/84/61/74/1130846174.db2.gz DYTQYXGXIMVLFS-INIZCTEOSA-N 2 1 298.405 3.534 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1CCC[NH2+][C@@H](C)C1 ZINC001236094393 1130858745 /nfs/dbraw/zinc/85/87/45/1130858745.db2.gz DESZLSTXJVPULP-KRWDZBQOSA-N 2 1 294.442 3.846 20 0 CHADMP CC[N@@H+](CCCCCC[NH3+])Cc1c(F)cccc1Cl ZINC001236104967 1130864328 /nfs/dbraw/zinc/86/43/28/1130864328.db2.gz OZDXITNJXJXPJW-UHFFFAOYSA-N 2 1 286.822 3.820 20 0 CHADMP CSc1ccccc1[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001236109667 1130865690 /nfs/dbraw/zinc/86/56/90/1130865690.db2.gz VNVLVDJVOLGJEG-GDBMZVCRSA-N 2 1 290.476 3.545 20 0 CHADMP CC1(C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)CC[NH2+]CC1 ZINC001236153013 1130877185 /nfs/dbraw/zinc/87/71/85/1130877185.db2.gz XICAWRRBJZMIHJ-MRXNPFEDSA-N 2 1 292.854 3.867 20 0 CHADMP c1[nH]c2ccccc2c1[C@@H]1CCC[N@@H+]1CC[C@H]1CCCC[NH2+]1 ZINC001236191016 1130884131 /nfs/dbraw/zinc/88/41/31/1130884131.db2.gz JBZAAJUQJQQYRF-BEFAXECRSA-N 2 1 297.446 3.837 20 0 CHADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@H]2c2c[nH]c3ccccc23)C1 ZINC001236193521 1130884714 /nfs/dbraw/zinc/88/47/14/1130884714.db2.gz RZFLDZYEBYWALS-KXBFYZLASA-N 2 1 297.446 3.647 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@H]2c2c[nH]c3ccccc23)C1 ZINC001236193521 1130884719 /nfs/dbraw/zinc/88/47/19/1130884719.db2.gz RZFLDZYEBYWALS-KXBFYZLASA-N 2 1 297.446 3.647 20 0 CHADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@H]2c2c[nH]c3ccccc23)C1 ZINC001236193521 1130884723 /nfs/dbraw/zinc/88/47/23/1130884723.db2.gz RZFLDZYEBYWALS-KXBFYZLASA-N 2 1 297.446 3.647 20 0 CHADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@H]2c2c[nH]c3ccccc23)C1 ZINC001236193521 1130884730 /nfs/dbraw/zinc/88/47/30/1130884730.db2.gz RZFLDZYEBYWALS-KXBFYZLASA-N 2 1 297.446 3.647 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(Cl)c(C)c2C)CC1 ZINC001236214904 1130889752 /nfs/dbraw/zinc/88/97/52/1130889752.db2.gz KNZCFRYBMJDVTR-UHFFFAOYSA-N 2 1 294.870 3.919 20 0 CHADMP C[N@@H+](Cc1cccc2sccc21)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236214547 1130889946 /nfs/dbraw/zinc/88/99/46/1130889946.db2.gz FSPQWLVATJOUPH-LSDHHAIUSA-N 2 1 274.433 3.603 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)CC[C@H](C)CC(C)(C)C)CC1 ZINC001236213263 1130890408 /nfs/dbraw/zinc/89/04/08/1130890408.db2.gz MTXHMHJWDFBMRD-FHERZECASA-N 2 1 268.489 3.911 20 0 CHADMP C[N@H+](Cc1ccc2ccsc2c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219492 1130891959 /nfs/dbraw/zinc/89/19/59/1130891959.db2.gz WWJKFEAHZRPULM-LSDHHAIUSA-N 2 1 274.433 3.603 20 0 CHADMP C[N@@H+](Cc1ccc2ccsc2c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219492 1130891961 /nfs/dbraw/zinc/89/19/61/1130891961.db2.gz WWJKFEAHZRPULM-LSDHHAIUSA-N 2 1 274.433 3.603 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(F)cc(C)c2Cl)CC1 ZINC001236216807 1130893954 /nfs/dbraw/zinc/89/39/54/1130893954.db2.gz VEZHFQGMTBMRQT-UHFFFAOYSA-N 2 1 298.833 3.750 20 0 CHADMP COc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c2ccccc12 ZINC001236215829 1130894068 /nfs/dbraw/zinc/89/40/68/1130894068.db2.gz YGWMCPAVWVIYPV-QZTJIDSGSA-N 2 1 298.430 3.550 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+](C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236222560 1130895777 /nfs/dbraw/zinc/89/57/77/1130895777.db2.gz JASYULWXRKKQNR-QAQDUYKDSA-N 2 1 282.431 3.850 20 0 CHADMP C[N@@H+](CCC12CC3CC(CC(C3)C1)C2)C1(C)CC[NH2+]CC1 ZINC001236221533 1130895800 /nfs/dbraw/zinc/89/58/00/1130895800.db2.gz CKYOJKVHNAFFMM-UHFFFAOYSA-N 2 1 290.495 3.667 20 0 CHADMP C[N@@H+](Cc1cccc2c(F)cccc12)C1(C)CC[NH2+]CC1 ZINC001236228171 1130897419 /nfs/dbraw/zinc/89/74/19/1130897419.db2.gz QUITVLYOSJYZRG-UHFFFAOYSA-N 2 1 286.394 3.553 20 0 CHADMP C[N@@H+](Cc1ccccc1-c1ccccc1)C1(C)CC[NH2+]CC1 ZINC001236226425 1130898069 /nfs/dbraw/zinc/89/80/69/1130898069.db2.gz LFCCDILKKBYFQZ-UHFFFAOYSA-N 2 1 294.442 3.928 20 0 CHADMP Cc1ccc(C[N@@H+](C)Cc2ccc3c(c2)C[NH2+]C3)cc1C ZINC001236241687 1130903706 /nfs/dbraw/zinc/90/37/06/1130903706.db2.gz UHQOPBUYGLVUHG-UHFFFAOYSA-N 2 1 280.415 3.539 20 0 CHADMP CCC(CC)C[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236287950 1130910834 /nfs/dbraw/zinc/91/08/34/1130910834.db2.gz UNRZGCCMEKEGFU-UHFFFAOYSA-N 2 1 274.452 3.677 20 0 CHADMP CCCCc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)s1 ZINC001236314429 1130911999 /nfs/dbraw/zinc/91/19/99/1130911999.db2.gz FACFYBBDHWXSRP-GASCZTMLSA-N 2 1 292.492 3.522 20 0 CHADMP CCCCc1ccc(C[N@@H+](CC)C[C@H]2CC[NH2+]C2)s1 ZINC001236407480 1130931641 /nfs/dbraw/zinc/93/16/41/1130931641.db2.gz GBEZKDQKAYVADA-AWEZNQCLSA-N 2 1 280.481 3.522 20 0 CHADMP CC[N@@H+](CC[C@@H](C)CCCC(C)(C)OC)C[C@H]1CC[NH2+]C1 ZINC001236407103 1130931772 /nfs/dbraw/zinc/93/17/72/1130931772.db2.gz BMMIOOGOUMGRMP-IRXDYDNUSA-N 2 1 298.515 3.539 20 0 CHADMP Cc1ccc(-c2cccc(C[N@H+]3CCC[C@H]([NH3+])[C@H]3C)c2)cc1 ZINC001236419907 1130935593 /nfs/dbraw/zinc/93/55/93/1130935593.db2.gz MNWKKUYETBTWHL-UZLBHIALSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1ccc(-c2cccc(C[N@@H+]3CCC[C@H]([NH3+])[C@H]3C)c2)cc1 ZINC001236419907 1130935600 /nfs/dbraw/zinc/93/56/00/1130935600.db2.gz MNWKKUYETBTWHL-UZLBHIALSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1cc(C)cc([C@@H]2CCC[N@H+]2CCC23CC([NH3+])(C2)C3)c1 ZINC001236427939 1130939118 /nfs/dbraw/zinc/93/91/18/1130939118.db2.gz CRZQADAYTDGURD-VIQWUECVSA-N 2 1 284.447 3.712 20 0 CHADMP Cc1cccc(C[N@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1F ZINC001236456308 1130946173 /nfs/dbraw/zinc/94/61/73/1130946173.db2.gz BQJNILGSUVJPJZ-UHFFFAOYSA-N 2 1 292.442 3.734 20 0 CHADMP Cc1cccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1F ZINC001236456308 1130946177 /nfs/dbraw/zinc/94/61/77/1130946177.db2.gz BQJNILGSUVJPJZ-UHFFFAOYSA-N 2 1 292.442 3.734 20 0 CHADMP CC(C)c1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236469168 1130948716 /nfs/dbraw/zinc/94/87/16/1130948716.db2.gz QCRJFJPXAYLQMW-GOSISDBHSA-N 2 1 274.452 3.772 20 0 CHADMP CC(C)c1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236469168 1130948720 /nfs/dbraw/zinc/94/87/20/1130948720.db2.gz QCRJFJPXAYLQMW-GOSISDBHSA-N 2 1 274.452 3.772 20 0 CHADMP C[NH+]1CCC2(CCC[N@H+]([C@H]3C=CCCCCC3)C2)CC1 ZINC000815107003 1130962647 /nfs/dbraw/zinc/96/26/47/1130962647.db2.gz IWGWRMBNMAEMNK-KRWDZBQOSA-N 2 1 276.468 3.683 20 0 CHADMP CC(C)C[N@@H+](Cc1cccc(F)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550280 1130973770 /nfs/dbraw/zinc/97/37/70/1130973770.db2.gz KMRDACKBUYOAAG-QAQDUYKDSA-N 2 1 278.415 3.554 20 0 CHADMP CC(C)C[N@@H+](Cc1ccc(F)c(F)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550153 1130973956 /nfs/dbraw/zinc/97/39/56/1130973956.db2.gz HLYUMHVYSXFENZ-SHTZXODSSA-N 2 1 296.405 3.693 20 0 CHADMP CC(C)C[N@@H+](Cc1cccc2[nH]ccc21)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552440 1130975011 /nfs/dbraw/zinc/97/50/11/1130975011.db2.gz VTHRNCFSRLUBEV-QAQDUYKDSA-N 2 1 299.462 3.896 20 0 CHADMP CCCCCC[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236553254 1130975091 /nfs/dbraw/zinc/97/50/91/1130975091.db2.gz YLLTTZYGVULUJP-WKILWMFISA-N 2 1 254.462 3.795 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCc2cccs2)C2CCCC2)CC1 ZINC001236567453 1130976607 /nfs/dbraw/zinc/97/66/07/1130976607.db2.gz WKHKYYILDKOALW-KOMQPUFPSA-N 2 1 292.492 3.805 20 0 CHADMP CC/C=C\CCC[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236571212 1130977401 /nfs/dbraw/zinc/97/74/01/1130977401.db2.gz ARNCUXJOHZFJRB-QAUKZDODSA-N 2 1 264.457 3.857 20 0 CHADMP Cc1cccc(C)c1C[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236572595 1130978173 /nfs/dbraw/zinc/97/81/73/1130978173.db2.gz SWEOCRLSKTTZCF-SAABIXHNSA-N 2 1 286.463 3.928 20 0 CHADMP Cc1ccc(C[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1F ZINC001236572078 1130978614 /nfs/dbraw/zinc/97/86/14/1130978614.db2.gz LXRPEBDKGGWYBW-JCNLHEQBSA-N 2 1 290.426 3.759 20 0 CHADMP Cc1ccc([C@H](C)CC[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)o1 ZINC001236584505 1130980355 /nfs/dbraw/zinc/98/03/55/1130980355.db2.gz FUJBVSVJJZDDLJ-ZBFHGGJFSA-N 2 1 290.451 3.546 20 0 CHADMP C[C@@H](CC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1)CC(C)(C)C ZINC001236584549 1130980879 /nfs/dbraw/zinc/98/08/79/1130980879.db2.gz LURVNLRTXIGCKM-HOTGVXAUSA-N 2 1 280.500 3.913 20 0 CHADMP Cc1c(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cccc1-c1ccccc1 ZINC001236616479 1130985353 /nfs/dbraw/zinc/98/53/53/1130985353.db2.gz NUMPTQLWRADNPI-FQEVSTJZSA-N 2 1 294.442 3.833 20 0 CHADMP Fc1c(Cl)cccc1C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236633448 1130986638 /nfs/dbraw/zinc/98/66/38/1130986638.db2.gz IKHSIJPDSKBCGF-UHFFFAOYSA-N 2 1 296.817 3.586 20 0 CHADMP Fc1c(Cl)cccc1C[N@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236633448 1130986634 /nfs/dbraw/zinc/98/66/34/1130986634.db2.gz IKHSIJPDSKBCGF-UHFFFAOYSA-N 2 1 296.817 3.586 20 0 CHADMP CC1=C[C@H](C)[C@H](C[N@@H+](C2CCC2)C2CC[NH2+]CC2)CC1 ZINC001236633471 1130987427 /nfs/dbraw/zinc/98/74/27/1130987427.db2.gz JNAUCFLFRSVMJA-HOTGVXAUSA-N 2 1 276.468 3.585 20 0 CHADMP c1cc(C2CC2)ccc1C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236636303 1130987570 /nfs/dbraw/zinc/98/75/70/1130987570.db2.gz CIBQDMCLWSJYPR-UHFFFAOYSA-N 2 1 284.447 3.671 20 0 CHADMP CCCC[N@@H+](Cc1ccccc1OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236702073 1130995400 /nfs/dbraw/zinc/99/54/00/1130995400.db2.gz YKZKIWABFVZTPB-QAQDUYKDSA-N 2 1 290.451 3.567 20 0 CHADMP Cc1cccc(C[N@H+](C[C@@H]2C[C@H]2C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236725745 1131001266 /nfs/dbraw/zinc/00/12/66/1131001266.db2.gz DUQUAGKYYBCIOX-QXCFHYIPSA-N 2 1 286.463 3.723 20 0 CHADMP Cc1cccc(C[N@@H+](CCC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236727058 1131001672 /nfs/dbraw/zinc/00/16/72/1131001672.db2.gz QDZQAHDWVUXTTJ-WGSAOQKQSA-N 2 1 286.463 3.867 20 0 CHADMP CCc1ccc(C[N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)o1 ZINC001236769534 1131004725 /nfs/dbraw/zinc/00/47/25/1131004725.db2.gz XXIACPBVGAZBJQ-SHTZXODSSA-N 2 1 292.467 3.960 20 0 CHADMP CCC[N@H+](Cc1c[nH]c2c1cccc2CC)C[C@@H]1CC[NH2+]C1 ZINC001236835572 1131019969 /nfs/dbraw/zinc/01/99/69/1131019969.db2.gz NJIGDPYXUQKKSV-OAHLLOKOSA-N 2 1 299.462 3.552 20 0 CHADMP CCCCc1ccc(C[N@@H+](CCC)C[C@H]2CC[NH2+]C2)cc1 ZINC001236842661 1131020972 /nfs/dbraw/zinc/02/09/72/1131020972.db2.gz GYPCEQJASZRPRL-IBGZPJMESA-N 2 1 288.479 3.851 20 0 CHADMP CC[NH2+]CC[N@H+](C(CC)CC)[C@H](C)c1ccccc1 ZINC001236859214 1131025095 /nfs/dbraw/zinc/02/50/95/1131025095.db2.gz IOOKUHQAQZPOLY-OAHLLOKOSA-N 2 1 262.441 3.848 20 0 CHADMP CC[NH2+]CC[N@@H+](C(CC)CC)[C@H](C)c1ccccc1 ZINC001236859214 1131025099 /nfs/dbraw/zinc/02/50/99/1131025099.db2.gz IOOKUHQAQZPOLY-OAHLLOKOSA-N 2 1 262.441 3.848 20 0 CHADMP CC(C)[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H](C)c1ccccc1 ZINC001236860689 1131025248 /nfs/dbraw/zinc/02/52/48/1131025248.db2.gz SXJQUBKEBHAIKM-IRXDYDNUSA-N 2 1 274.452 3.848 20 0 CHADMP C[C@@H]([NH3+])C[NH+]1CCC(c2ccc(-c3ccccc3)cc2)CC1 ZINC001237043693 1131038232 /nfs/dbraw/zinc/03/82/32/1131038232.db2.gz RTDQYDFWCPFZEJ-MRXNPFEDSA-N 2 1 294.442 3.880 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237057448 1131043242 /nfs/dbraw/zinc/04/32/42/1131043242.db2.gz MWVQNJYBUAGUMT-KRWDZBQOSA-N 2 1 288.460 3.771 20 0 CHADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237060290 1131043600 /nfs/dbraw/zinc/04/36/00/1131043600.db2.gz ZHJYGYOCCVHRDX-WMZOPIPTSA-N 2 1 298.515 3.669 20 0 CHADMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)cc1 ZINC001237058531 1131044096 /nfs/dbraw/zinc/04/40/96/1131044096.db2.gz QHFJZBYZTCQDQT-GOSISDBHSA-N 2 1 274.452 3.545 20 0 CHADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4cccccc3-4)C[C@@H]2C1 ZINC001237185911 1131066041 /nfs/dbraw/zinc/06/60/41/1131066041.db2.gz UFVHELVYMKXJMW-KDURUIRLSA-N 2 1 294.442 3.565 20 0 CHADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4cccccc3-4)C[C@@H]2C1 ZINC001237185911 1131066045 /nfs/dbraw/zinc/06/60/45/1131066045.db2.gz UFVHELVYMKXJMW-KDURUIRLSA-N 2 1 294.442 3.565 20 0 CHADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4cccccc3-4)C[C@@H]2C1 ZINC001237185911 1131066053 /nfs/dbraw/zinc/06/60/53/1131066053.db2.gz UFVHELVYMKXJMW-KDURUIRLSA-N 2 1 294.442 3.565 20 0 CHADMP CC(C)CCC[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001237358118 1131089891 /nfs/dbraw/zinc/08/98/91/1131089891.db2.gz CBLNPBSTWPFVHL-UHFFFAOYSA-N 2 1 272.436 3.517 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc2c(F)cccc12 ZINC001237520036 1131108835 /nfs/dbraw/zinc/10/88/35/1131108835.db2.gz YSVPOFVIRVEPLC-UHFFFAOYSA-N 2 1 288.410 3.753 20 0 CHADMP Cc1cc(C[N@H+](C)CCC[NH+]2CCCC2)cc(C)c1Cl ZINC001238090252 1131169978 /nfs/dbraw/zinc/16/99/78/1131169978.db2.gz DJEWWQRUKYSFCI-UHFFFAOYSA-N 2 1 294.870 3.875 20 0 CHADMP Cc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)cc(C)c1Cl ZINC001238090252 1131169982 /nfs/dbraw/zinc/16/99/82/1131169982.db2.gz DJEWWQRUKYSFCI-UHFFFAOYSA-N 2 1 294.870 3.875 20 0 CHADMP c1csc([C@@H]2CCC[N@@H+]2Cc2cccc3cncn32)c1 ZINC001238114441 1131171986 /nfs/dbraw/zinc/17/19/86/1131171986.db2.gz UVGZDYVSZSEBQA-HNNXBMFYSA-N 2 1 283.400 3.733 20 0 CHADMP c1csc([C@@H]2CCC[N@H+]2Cc2cccc3c[nH+]cn32)c1 ZINC001238114441 1131171987 /nfs/dbraw/zinc/17/19/87/1131171987.db2.gz UVGZDYVSZSEBQA-HNNXBMFYSA-N 2 1 283.400 3.733 20 0 CHADMP c1csc([C@@H]2CCC[N@@H+]2Cc2cccc3c[nH+]cn32)c1 ZINC001238114441 1131171992 /nfs/dbraw/zinc/17/19/92/1131171992.db2.gz UVGZDYVSZSEBQA-HNNXBMFYSA-N 2 1 283.400 3.733 20 0 CHADMP CC[N@H+]1CCC[C@H](CN[C@@H](C)c2nccc3ccccc32)C1 ZINC001117671530 1131191977 /nfs/dbraw/zinc/19/19/77/1131191977.db2.gz KASHBMGUUJBNRT-JKSUJKDBSA-N 2 1 297.446 3.617 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2nccc3ccccc32)C1 ZINC001117671530 1131191982 /nfs/dbraw/zinc/19/19/82/1131191982.db2.gz KASHBMGUUJBNRT-JKSUJKDBSA-N 2 1 297.446 3.617 20 0 CHADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1SC(C)(C)C ZINC000817980717 1131195390 /nfs/dbraw/zinc/19/53/90/1131195390.db2.gz WPJJVGQWPXSVIV-STQMWFEESA-N 2 1 280.481 3.965 20 0 CHADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccccc1SC(C)(C)C ZINC000817977354 1131195566 /nfs/dbraw/zinc/19/55/66/1131195566.db2.gz ILXHMDQIVRIFFX-UPJWGTAASA-N 2 1 280.481 3.964 20 0 CHADMP CCCCCC[C@H](CCC)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC001246235595 1131422797 /nfs/dbraw/zinc/42/27/97/1131422797.db2.gz ZEFBFVDWKWKVQF-GJZGRUSLSA-N 2 1 290.442 3.960 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001171018912 1131429153 /nfs/dbraw/zinc/42/91/53/1131429153.db2.gz UAGUMUGEEBVRBW-RBUKOAKNSA-N 2 1 288.479 3.986 20 0 CHADMP Cc1ccc(F)c(C[N@H+](C)CC2CC[NH+](C)CC2)c1Cl ZINC001138028139 1131454590 /nfs/dbraw/zinc/45/45/90/1131454590.db2.gz YAJPOPGZJVSCTG-UHFFFAOYSA-N 2 1 298.833 3.561 20 0 CHADMP Cc1ccc(F)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c1Cl ZINC001138028139 1131454591 /nfs/dbraw/zinc/45/45/91/1131454591.db2.gz YAJPOPGZJVSCTG-UHFFFAOYSA-N 2 1 298.833 3.561 20 0 CHADMP CCCCCC[C@H](CC)[NH2+][C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001246343461 1131481867 /nfs/dbraw/zinc/48/18/67/1131481867.db2.gz UYXGUOLQNKKUTL-MJBXVCDLSA-N 2 1 294.405 3.865 20 0 CHADMP CCc1cccc2c(CN3CCC([N@H+](C)CC)CC3)c[nH]c21 ZINC001138362767 1131495379 /nfs/dbraw/zinc/49/53/79/1131495379.db2.gz DAGGQJINFZXQIU-UHFFFAOYSA-N 2 1 299.462 3.646 20 0 CHADMP CCc1cccc2c(C[NH+]3CCC([N@@H+](C)CC)CC3)c[nH]c21 ZINC001138362767 1131495380 /nfs/dbraw/zinc/49/53/80/1131495380.db2.gz DAGGQJINFZXQIU-UHFFFAOYSA-N 2 1 299.462 3.646 20 0 CHADMP CCc1cccc2c(C[NH+]3CCC([N@H+](C)CC)CC3)c[nH]c21 ZINC001138362767 1131495381 /nfs/dbraw/zinc/49/53/81/1131495381.db2.gz DAGGQJINFZXQIU-UHFFFAOYSA-N 2 1 299.462 3.646 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCCC[C@@H](C)C2)cc1 ZINC001138543075 1131518704 /nfs/dbraw/zinc/51/87/04/1131518704.db2.gz JGYAOSMHRZDMPW-OAHLLOKOSA-N 2 1 283.419 3.803 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCCC[C@@H](C)C2)cc1 ZINC001138543075 1131518706 /nfs/dbraw/zinc/51/87/06/1131518706.db2.gz JGYAOSMHRZDMPW-OAHLLOKOSA-N 2 1 283.419 3.803 20 0 CHADMP Cc1nccn1-c1ccc(C[N@@H+]2CCC[C@H]2C(C)C)cc1 ZINC001138550411 1131519584 /nfs/dbraw/zinc/51/95/84/1131519584.db2.gz SGIZMSGRANJUCN-SFHVURJKSA-N 2 1 283.419 3.801 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@H]2C(C)C)cc1 ZINC001138550411 1131519587 /nfs/dbraw/zinc/51/95/87/1131519587.db2.gz SGIZMSGRANJUCN-SFHVURJKSA-N 2 1 283.419 3.801 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@H]2C(C)C)cc1 ZINC001138550411 1131519589 /nfs/dbraw/zinc/51/95/89/1131519589.db2.gz SGIZMSGRANJUCN-SFHVURJKSA-N 2 1 283.419 3.801 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH+]1CCCCCCCC1 ZINC000831937356 1131522657 /nfs/dbraw/zinc/52/26/57/1131522657.db2.gz QAMKASSGCDDIAH-UHFFFAOYSA-N 2 1 263.429 3.628 20 0 CHADMP CCC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@@H](C)CC ZINC001138768783 1131548925 /nfs/dbraw/zinc/54/89/25/1131548925.db2.gz AYVJIFZCVFFFRB-INIZCTEOSA-N 2 1 292.467 3.638 20 0 CHADMP CC(C)(C)C1CCC([N@H+]2CCC[C@@](F)(C[NH3+])CC2)CC1 ZINC001246545667 1131594469 /nfs/dbraw/zinc/59/44/69/1131594469.db2.gz CGMUMZMPFIFIND-DQPZFDDXSA-N 2 1 284.463 3.744 20 0 CHADMP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1CC[NH2+]CC[C@@H]1C ZINC001246547089 1131595888 /nfs/dbraw/zinc/59/58/88/1131595888.db2.gz BCEOVQWPSYOWCY-STQMWFEESA-N 2 1 298.883 3.504 20 0 CHADMP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CC[NH2+]CC[C@@H]1C ZINC001246547089 1131595893 /nfs/dbraw/zinc/59/58/93/1131595893.db2.gz BCEOVQWPSYOWCY-STQMWFEESA-N 2 1 298.883 3.504 20 0 CHADMP c1coc(C[N@@H+](Cc2ccc(-n3ccnc3)cc2)C2CC2)c1 ZINC001139360765 1131604799 /nfs/dbraw/zinc/60/47/99/1131604799.db2.gz GEQOQXBSEMWABE-UHFFFAOYSA-N 2 1 293.370 3.630 20 0 CHADMP c1coc(CN(Cc2ccc(-n3ccnc3)cc2)C2CC2)c1 ZINC001139360765 1131604802 /nfs/dbraw/zinc/60/48/02/1131604802.db2.gz GEQOQXBSEMWABE-UHFFFAOYSA-N 2 1 293.370 3.630 20 0 CHADMP CC[C@H]1C[C@H]([N@H+](Cc2ccccc2)CC(C)C)CC[NH2+]1 ZINC001246556210 1131618010 /nfs/dbraw/zinc/61/80/10/1131618010.db2.gz BNDKSEIWRLINSC-ZWKOTPCHSA-N 2 1 274.452 3.675 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246563634 1131624633 /nfs/dbraw/zinc/62/46/33/1131624633.db2.gz XKYQFCAMYZQKKO-YVSFHVDLSA-N 2 1 268.489 3.898 20 0 CHADMP c1ccc(C2CC2)c(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC001139879269 1131645901 /nfs/dbraw/zinc/64/59/01/1131645901.db2.gz HYSKBCSOKGQLPQ-UHFFFAOYSA-N 2 1 284.447 3.624 20 0 CHADMP C[N@H+](C1CC1)C1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC001139883446 1131646393 /nfs/dbraw/zinc/64/63/93/1131646393.db2.gz USDQFXXODGINOZ-UHFFFAOYSA-N 2 1 284.447 3.623 20 0 CHADMP C[N@@H+](C1CC1)C1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC001139883446 1131646395 /nfs/dbraw/zinc/64/63/95/1131646395.db2.gz USDQFXXODGINOZ-UHFFFAOYSA-N 2 1 284.447 3.623 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(F)c2ccccc12 ZINC001139893126 1131648616 /nfs/dbraw/zinc/64/86/16/1131648616.db2.gz GQRYYIQKPDCWNC-UHFFFAOYSA-N 2 1 288.410 3.753 20 0 CHADMP CCCCC[N@@H+](C)Cc1ccccc1-n1ccnc1C ZINC001140022422 1131657117 /nfs/dbraw/zinc/65/71/17/1131657117.db2.gz DGTAQJWXYGOTBW-UHFFFAOYSA-N 2 1 271.408 3.803 20 0 CHADMP CCCCC[N@H+](C)Cc1ccccc1-n1cc[nH+]c1C ZINC001140022422 1131657118 /nfs/dbraw/zinc/65/71/18/1131657118.db2.gz DGTAQJWXYGOTBW-UHFFFAOYSA-N 2 1 271.408 3.803 20 0 CHADMP CCCCC[N@@H+](C)Cc1ccccc1-n1cc[nH+]c1C ZINC001140022422 1131657122 /nfs/dbraw/zinc/65/71/22/1131657122.db2.gz DGTAQJWXYGOTBW-UHFFFAOYSA-N 2 1 271.408 3.803 20 0 CHADMP Cc1nccn1-c1ccccc1C[N@@H+]1CCCC[C@@H](C)C1 ZINC001140023579 1131657324 /nfs/dbraw/zinc/65/73/24/1131657324.db2.gz RLSQMJAQGLWQRC-OAHLLOKOSA-N 2 1 283.419 3.803 20 0 CHADMP Cc1nccn1-c1ccccc1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001140021978 1131657371 /nfs/dbraw/zinc/65/73/71/1131657371.db2.gz WARVAVQZXBETAX-IRXDYDNUSA-N 2 1 295.430 3.803 20 0 CHADMP CCC[N@H+](Cc1ccccc1-n1ccnc1C)CC1CC1 ZINC001140023735 1131657455 /nfs/dbraw/zinc/65/74/55/1131657455.db2.gz XKCGSUHZVXJVDG-UHFFFAOYSA-N 2 1 283.419 3.803 20 0 CHADMP CCC[N@@H+](Cc1ccccc1-n1cc[nH+]c1C)CC1CC1 ZINC001140023735 1131657459 /nfs/dbraw/zinc/65/74/59/1131657459.db2.gz XKCGSUHZVXJVDG-UHFFFAOYSA-N 2 1 283.419 3.803 20 0 CHADMP CCC[N@H+](Cc1ccccc1-n1cc[nH+]c1C)CC1CC1 ZINC001140023735 1131657462 /nfs/dbraw/zinc/65/74/62/1131657462.db2.gz XKCGSUHZVXJVDG-UHFFFAOYSA-N 2 1 283.419 3.803 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](C)Cc1cccs1 ZINC000162144964 1131661295 /nfs/dbraw/zinc/66/12/95/1131661295.db2.gz ODNXPWQWYKUTSY-AWEZNQCLSA-N 2 1 291.464 3.596 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](C)Cc1cccs1 ZINC000162144964 1131661300 /nfs/dbraw/zinc/66/13/00/1131661300.db2.gz ODNXPWQWYKUTSY-AWEZNQCLSA-N 2 1 291.464 3.596 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246579309 1131676804 /nfs/dbraw/zinc/67/68/04/1131676804.db2.gz UHOKOCWYOHYVJQ-ULQDDVLXSA-N 2 1 268.489 3.898 20 0 CHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000845995284 1131679095 /nfs/dbraw/zinc/67/90/95/1131679095.db2.gz BMOCAFIKZNLJQQ-UONOGXRCSA-N 2 1 294.405 3.675 20 0 CHADMP [NH3+]CCCCCC[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000846218904 1131700697 /nfs/dbraw/zinc/70/06/97/1131700697.db2.gz YGNMXLPAWLYIFK-SFHVURJKSA-N 2 1 272.436 3.657 20 0 CHADMP [NH3+]CCCCCC[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000846218903 1131700762 /nfs/dbraw/zinc/70/07/62/1131700762.db2.gz YGNMXLPAWLYIFK-GOSISDBHSA-N 2 1 272.436 3.657 20 0 CHADMP CCCCCC[C@H](CCC)[N@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001246633696 1131738769 /nfs/dbraw/zinc/73/87/69/1131738769.db2.gz FFCSFQMYCFFPGZ-JKSUJKDBSA-N 2 1 252.446 3.563 20 0 CHADMP CCCCCC[C@@H](CCC)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246630923 1131740669 /nfs/dbraw/zinc/74/06/69/1131740669.db2.gz MBFNUVUWOYFCPF-SJORKVTESA-N 2 1 266.473 3.811 20 0 CHADMP CCC(C)(C)C1CCC([N@H+]2CCC23CC[NH2+]CC3)CC1 ZINC001246641517 1131765444 /nfs/dbraw/zinc/76/54/44/1131765444.db2.gz IXPKTLIJDMPSFJ-UHFFFAOYSA-N 2 1 278.484 3.809 20 0 CHADMP C1C[C@H]2C[N@@H+](C3CCC4(CCCCC4)CC3)CC[C@@H]2[NH2+]1 ZINC001246656789 1131777558 /nfs/dbraw/zinc/77/75/58/1131777558.db2.gz FKRCMXHSKDCWJT-RDJZCZTQSA-N 2 1 276.468 3.563 20 0 CHADMP C1C[C@H]2C[N@H+](C3CCC4(CCCCC4)CC3)CC[C@@H]2[NH2+]1 ZINC001246656789 1131777565 /nfs/dbraw/zinc/77/75/65/1131777565.db2.gz FKRCMXHSKDCWJT-RDJZCZTQSA-N 2 1 276.468 3.563 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](c2ccccc2)C1(C)C ZINC001171267913 1131781817 /nfs/dbraw/zinc/78/18/17/1131781817.db2.gz UKJQWPHMROHZOD-MSOLQXFVSA-N 2 1 286.463 3.739 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](c2ccccc2)C1(C)C ZINC001171267913 1131781821 /nfs/dbraw/zinc/78/18/21/1131781821.db2.gz UKJQWPHMROHZOD-MSOLQXFVSA-N 2 1 286.463 3.739 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](c2ccccc2)C1(C)C ZINC001171267913 1131781824 /nfs/dbraw/zinc/78/18/24/1131781824.db2.gz UKJQWPHMROHZOD-MSOLQXFVSA-N 2 1 286.463 3.739 20 0 CHADMP CCC(C)(C)C1CCC([N@H+]2CCC[C@H]2CC[NH3+])CC1 ZINC001246835026 1131787246 /nfs/dbraw/zinc/78/72/46/1131787246.db2.gz XWMNOZLBBWCVDO-PCKAHOCUSA-N 2 1 266.473 3.795 20 0 CHADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc(F)cc(Cl)c1 ZINC001140543303 1131787416 /nfs/dbraw/zinc/78/74/16/1131787416.db2.gz ZUIPPIWZNXETIR-UHFFFAOYSA-N 2 1 286.822 3.643 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(F)cc(Cl)c1 ZINC001140543303 1131787417 /nfs/dbraw/zinc/78/74/17/1131787417.db2.gz ZUIPPIWZNXETIR-UHFFFAOYSA-N 2 1 286.822 3.643 20 0 CHADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](CC)C[C@@H](C)CC ZINC001246978138 1131832208 /nfs/dbraw/zinc/83/22/08/1131832208.db2.gz UNSARMWPHPZSRQ-XHSDSOJGSA-N 2 1 254.462 3.523 20 0 CHADMP C1CCC2(C1)CCC([N@@H+]1CC[C@H]3[NH2+]CCC[C@H]3C1)CC2 ZINC001247016796 1131841357 /nfs/dbraw/zinc/84/13/57/1131841357.db2.gz XXQHHQWWFRNTQT-DOTOQJQBSA-N 2 1 276.468 3.563 20 0 CHADMP C1CCC2(C1)CCC([N@H+]1CC[C@H]3[NH2+]CCC[C@H]3C1)CC2 ZINC001247016796 1131841358 /nfs/dbraw/zinc/84/13/58/1131841358.db2.gz XXQHHQWWFRNTQT-DOTOQJQBSA-N 2 1 276.468 3.563 20 0 CHADMP Cc1ccc([C@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)s1 ZINC000348155880 1131891770 /nfs/dbraw/zinc/89/17/70/1131891770.db2.gz CKIIULIKIXGELX-HUUCEWRRSA-N 2 1 278.465 3.678 20 0 CHADMP Cc1ccc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)s1 ZINC000348155880 1131891780 /nfs/dbraw/zinc/89/17/80/1131891780.db2.gz CKIIULIKIXGELX-HUUCEWRRSA-N 2 1 278.465 3.678 20 0 CHADMP Cc1ccc([C@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)s1 ZINC000348155880 1131891790 /nfs/dbraw/zinc/89/17/90/1131891790.db2.gz CKIIULIKIXGELX-HUUCEWRRSA-N 2 1 278.465 3.678 20 0 CHADMP CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000348191578 1131896403 /nfs/dbraw/zinc/89/64/03/1131896403.db2.gz VUVMQZGYVDHAHB-WBVHZDCISA-N 2 1 277.456 3.872 20 0 CHADMP CC[C@@H](C)[C@@H]1CCCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000348191578 1131896410 /nfs/dbraw/zinc/89/64/10/1131896410.db2.gz VUVMQZGYVDHAHB-WBVHZDCISA-N 2 1 277.456 3.872 20 0 CHADMP C[C@@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)Cc2ccccc21 ZINC001140801950 1131924015 /nfs/dbraw/zinc/92/40/15/1131924015.db2.gz LOKDPXNFKABKIN-CYBMUJFWSA-N 2 1 277.371 3.682 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)Cc2ccccc21 ZINC001140801950 1131924021 /nfs/dbraw/zinc/92/40/21/1131924021.db2.gz LOKDPXNFKABKIN-CYBMUJFWSA-N 2 1 277.371 3.682 20 0 CHADMP Cc1ccc(C[N@H+](C)Cc2c[nH]c3cc[nH+]cc23)cc1 ZINC001140802683 1131925997 /nfs/dbraw/zinc/92/59/97/1131925997.db2.gz CJXMKLMBDMRMDF-UHFFFAOYSA-N 2 1 265.360 3.503 20 0 CHADMP Cc1ccc(C[N@@H+](C)Cc2c[nH]c3cc[nH+]cc23)cc1 ZINC001140802683 1131926004 /nfs/dbraw/zinc/92/60/04/1131926004.db2.gz CJXMKLMBDMRMDF-UHFFFAOYSA-N 2 1 265.360 3.503 20 0 CHADMP c1csc([C@H]2CCC[N@H+]2Cc2c[nH]c3cc[nH+]cc23)c1 ZINC001140803025 1131926890 /nfs/dbraw/zinc/92/68/90/1131926890.db2.gz JLYKYIOTSOXFEH-OAHLLOKOSA-N 2 1 283.400 3.962 20 0 CHADMP c1csc([C@H]2CCC[N@@H+]2Cc2c[nH]c3cc[nH+]cc23)c1 ZINC001140803025 1131926894 /nfs/dbraw/zinc/92/68/94/1131926894.db2.gz JLYKYIOTSOXFEH-OAHLLOKOSA-N 2 1 283.400 3.962 20 0 CHADMP CC1(C)C[N@@H+](Cc2c[nH]c3ccncc23)Cc2ccccc21 ZINC001140805153 1131927756 /nfs/dbraw/zinc/92/77/56/1131927756.db2.gz UILAQFRWTRPRIM-UHFFFAOYSA-N 2 1 291.398 3.856 20 0 CHADMP CC1(C)C[N@H+](Cc2cnc3cc[nH]cc2-3)Cc2ccccc21 ZINC001140805153 1131927761 /nfs/dbraw/zinc/92/77/61/1131927761.db2.gz UILAQFRWTRPRIM-UHFFFAOYSA-N 2 1 291.398 3.856 20 0 CHADMP CC1(C)C[N@H+](Cc2c[nH]c3cc[nH+]cc23)Cc2ccccc21 ZINC001140805153 1131927773 /nfs/dbraw/zinc/92/77/73/1131927773.db2.gz UILAQFRWTRPRIM-UHFFFAOYSA-N 2 1 291.398 3.856 20 0 CHADMP CC1(C)C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)Cc2ccccc21 ZINC001140805153 1131927780 /nfs/dbraw/zinc/92/77/80/1131927780.db2.gz UILAQFRWTRPRIM-UHFFFAOYSA-N 2 1 291.398 3.856 20 0 CHADMP F[C@@H]1CCC2(C1)CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140804725 1131927811 /nfs/dbraw/zinc/92/78/11/1131927811.db2.gz BNRSCHVDDBQOLK-CQSZACIVSA-N 2 1 287.382 3.667 20 0 CHADMP c1nc2cc[nH]cc-2c1C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001140807157 1131928836 /nfs/dbraw/zinc/92/88/36/1131928836.db2.gz OOTAXEHWHWRJDR-KGLIPLIRSA-N 2 1 269.392 3.575 20 0 CHADMP c1[nH]c2ccncc2c1C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001140807157 1131928841 /nfs/dbraw/zinc/92/88/41/1131928841.db2.gz OOTAXEHWHWRJDR-KGLIPLIRSA-N 2 1 269.392 3.575 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001140807157 1131928855 /nfs/dbraw/zinc/92/88/55/1131928855.db2.gz OOTAXEHWHWRJDR-KGLIPLIRSA-N 2 1 269.392 3.575 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001140807157 1131928861 /nfs/dbraw/zinc/92/88/61/1131928861.db2.gz OOTAXEHWHWRJDR-KGLIPLIRSA-N 2 1 269.392 3.575 20 0 CHADMP Fc1cccc([C@H]2CC[N@@H+](Cc3c[nH]c4ccncc34)C2)c1 ZINC001140807075 1131931219 /nfs/dbraw/zinc/93/12/19/1131931219.db2.gz KPTTZZIAOXBWGV-AWEZNQCLSA-N 2 1 295.361 3.692 20 0 CHADMP Fc1cccc([C@H]2CC[N@H+](Cc3cnc4cc[nH]cc3-4)C2)c1 ZINC001140807075 1131931225 /nfs/dbraw/zinc/93/12/25/1131931225.db2.gz KPTTZZIAOXBWGV-AWEZNQCLSA-N 2 1 295.361 3.692 20 0 CHADMP Fc1cccc([C@H]2CC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)c1 ZINC001140807075 1131931233 /nfs/dbraw/zinc/93/12/33/1131931233.db2.gz KPTTZZIAOXBWGV-AWEZNQCLSA-N 2 1 295.361 3.692 20 0 CHADMP Fc1cccc([C@H]2CC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)c1 ZINC001140807075 1131931239 /nfs/dbraw/zinc/93/12/39/1131931239.db2.gz KPTTZZIAOXBWGV-AWEZNQCLSA-N 2 1 295.361 3.692 20 0 CHADMP C1=CCC(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716619025 1132029063 /nfs/dbraw/zinc/02/90/63/1132029063.db2.gz AMXSIIPVCYCDNB-ZCNNSNEGSA-N 2 1 296.458 3.595 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccccc2CC)CC1 ZINC001141228817 1132050106 /nfs/dbraw/zinc/05/01/06/1132050106.db2.gz IXFKCGPMPOVXTG-UHFFFAOYSA-N 2 1 288.479 3.945 20 0 CHADMP CC[N@@H+](Cc1ccc(Cl)c(C)c1)C1CCN(C)CC1 ZINC001141236917 1132053622 /nfs/dbraw/zinc/05/36/22/1132053622.db2.gz GBTIOABEYLBUEY-UHFFFAOYSA-N 2 1 280.843 3.565 20 0 CHADMP Cc1ccnc([C@H](C)[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171618787 1132065359 /nfs/dbraw/zinc/06/53/59/1132065359.db2.gz CFLYCXJCWIVXTD-AWEZNQCLSA-N 2 1 289.467 3.692 20 0 CHADMP Cc1ccc(CC[C@H](C)[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC001171675808 1132075559 /nfs/dbraw/zinc/07/55/59/1132075559.db2.gz UAFRYRRQVCWTOX-KRWDZBQOSA-N 2 1 288.479 3.590 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)[C@@H](C)CCc1ccc(C)cc1 ZINC001171681971 1132079877 /nfs/dbraw/zinc/07/98/77/1132079877.db2.gz PSVAHTTWBYKMNI-KRWDZBQOSA-N 2 1 276.468 3.590 20 0 CHADMP C[NH+]1C(C)(C)CC([N@H+](Cc2ccco2)C2CC2)CC1(C)C ZINC001171642302 1132080729 /nfs/dbraw/zinc/08/07/29/1132080729.db2.gz JRCCULRQJVJKMD-UHFFFAOYSA-N 2 1 290.451 3.895 20 0 CHADMP C[NH+]1C(C)(C)CC([N@@H+](Cc2ccco2)C2CC2)CC1(C)C ZINC001171642302 1132080737 /nfs/dbraw/zinc/08/07/37/1132080737.db2.gz JRCCULRQJVJKMD-UHFFFAOYSA-N 2 1 290.451 3.895 20 0 CHADMP CC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171966756 1132112568 /nfs/dbraw/zinc/11/25/68/1132112568.db2.gz WSWWJEAKUPIEGB-QGZVFWFLSA-N 2 1 286.463 3.819 20 0 CHADMP C[C@H]1CC[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171975469 1132118155 /nfs/dbraw/zinc/11/81/55/1132118155.db2.gz DCWFEUXTHBFQFX-DOTOQJQBSA-N 2 1 272.436 3.524 20 0 CHADMP C[C@H]1CC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171975469 1132118157 /nfs/dbraw/zinc/11/81/57/1132118157.db2.gz DCWFEUXTHBFQFX-DOTOQJQBSA-N 2 1 272.436 3.524 20 0 CHADMP C[C@H]1CC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975469 1132118162 /nfs/dbraw/zinc/11/81/62/1132118162.db2.gz DCWFEUXTHBFQFX-DOTOQJQBSA-N 2 1 272.436 3.524 20 0 CHADMP C[C@H]1CC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975469 1132118166 /nfs/dbraw/zinc/11/81/66/1132118166.db2.gz DCWFEUXTHBFQFX-DOTOQJQBSA-N 2 1 272.436 3.524 20 0 CHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]C24CC(C2)C4)C3)cc1 ZINC001172061006 1132119111 /nfs/dbraw/zinc/11/91/11/1132119111.db2.gz DTKPXOBFFPZPGT-JHNJKDCUSA-N 2 1 296.458 3.714 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]C24CC(C2)C4)C3)cc1 ZINC001172061006 1132119115 /nfs/dbraw/zinc/11/91/15/1132119115.db2.gz DTKPXOBFFPZPGT-JHNJKDCUSA-N 2 1 296.458 3.714 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCCc3ccccc31)C2 ZINC001172098873 1132122397 /nfs/dbraw/zinc/12/23/97/1132122397.db2.gz CXABQUSYTCDKFD-VXIBKDFQSA-N 2 1 284.447 3.669 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCCc3ccccc31)C2 ZINC001172098873 1132122404 /nfs/dbraw/zinc/12/24/04/1132122404.db2.gz CXABQUSYTCDKFD-VXIBKDFQSA-N 2 1 284.447 3.669 20 0 CHADMP CC[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC001172101628 1132122642 /nfs/dbraw/zinc/12/26/42/1132122642.db2.gz GNWNGZXDABSILH-MHORFTMASA-N 2 1 290.426 3.882 20 0 CHADMP CC[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC001172101628 1132122647 /nfs/dbraw/zinc/12/26/47/1132122647.db2.gz GNWNGZXDABSILH-MHORFTMASA-N 2 1 290.426 3.882 20 0 CHADMP CC1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172069534 1132124413 /nfs/dbraw/zinc/12/44/13/1132124413.db2.gz UUURQHVPLUREPG-REPLKXPHSA-N 2 1 298.474 3.962 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]CC2CC2)C3)cc1 ZINC001172069212 1132125020 /nfs/dbraw/zinc/12/50/20/1132125020.db2.gz SAUZJIGWNFLDFH-REPLKXPHSA-N 2 1 284.447 3.572 20 0 CHADMP C[C@@H]1C[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069959 1132125776 /nfs/dbraw/zinc/12/57/76/1132125776.db2.gz YTLDDSAZDXJLBI-IQZDNPOKSA-N 2 1 284.447 3.570 20 0 CHADMP CCCC[NH+](CCCC)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172125395 1132126082 /nfs/dbraw/zinc/12/60/82/1132126082.db2.gz QMSFVRNWKCNWAX-BJWYYQGGSA-N 2 1 266.473 3.904 20 0 CHADMP CCCC[NH+](CCCC)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172125395 1132126086 /nfs/dbraw/zinc/12/60/86/1132126086.db2.gz QMSFVRNWKCNWAX-BJWYYQGGSA-N 2 1 266.473 3.904 20 0 CHADMP C[C@H](CCc1ccccc1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172099798 1132126278 /nfs/dbraw/zinc/12/62/78/1132126278.db2.gz KKBUIWSFUPFOJH-OWYHZJEWSA-N 2 1 286.463 3.613 20 0 CHADMP C[C@H](CCc1ccccc1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099798 1132126279 /nfs/dbraw/zinc/12/62/79/1132126279.db2.gz KKBUIWSFUPFOJH-OWYHZJEWSA-N 2 1 286.463 3.613 20 0 CHADMP CC[C@H](C)C[C@H](CC)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000721513016 1132126681 /nfs/dbraw/zinc/12/66/81/1132126681.db2.gz FTTAKNYRPADNOW-JCGIZDLHSA-N 2 1 274.452 3.587 20 0 CHADMP CC[C@H](C)C[C@H](CC)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000721513016 1132126689 /nfs/dbraw/zinc/12/66/89/1132126689.db2.gz FTTAKNYRPADNOW-JCGIZDLHSA-N 2 1 274.452 3.587 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1Cc3ccc(Cl)cc3C1)C2 ZINC001172127698 1132127015 /nfs/dbraw/zinc/12/70/15/1132127015.db2.gz KXHQFJOQBZREAT-BJWYYQGGSA-N 2 1 290.838 3.671 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1Cc3ccc(Cl)cc3C1)C2 ZINC001172127698 1132127020 /nfs/dbraw/zinc/12/70/20/1132127020.db2.gz KXHQFJOQBZREAT-BJWYYQGGSA-N 2 1 290.838 3.671 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1Cc3ccc(Cl)cc3C1)C2 ZINC001172127698 1132127024 /nfs/dbraw/zinc/12/70/24/1132127024.db2.gz KXHQFJOQBZREAT-BJWYYQGGSA-N 2 1 290.838 3.671 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1Cc3ccc(Cl)cc3C1)C2 ZINC001172127698 1132127028 /nfs/dbraw/zinc/12/70/28/1132127028.db2.gz KXHQFJOQBZREAT-BJWYYQGGSA-N 2 1 290.838 3.671 20 0 CHADMP Cc1cccc(C2([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCC2)c1 ZINC001172110670 1132128934 /nfs/dbraw/zinc/12/89/34/1132128934.db2.gz LFYPRZRSEQKHAB-REPLKXPHSA-N 2 1 298.474 3.979 20 0 CHADMP Cc1cccc(C2([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCC2)c1 ZINC001172110670 1132128937 /nfs/dbraw/zinc/12/89/37/1132128937.db2.gz LFYPRZRSEQKHAB-REPLKXPHSA-N 2 1 298.474 3.979 20 0 CHADMP Cc1ccc(Cl)c(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172115194 1132132733 /nfs/dbraw/zinc/13/27/33/1132132733.db2.gz RXYWKBGFVYIUSG-PHZGNYQRSA-N 2 1 292.854 3.753 20 0 CHADMP Cc1cccc(C2([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC001172111062 1132132832 /nfs/dbraw/zinc/13/28/32/1132132832.db2.gz RMCHFHKLTVTKKX-NNZMDNLPSA-N 2 1 284.447 3.589 20 0 CHADMP Cc1cccc(C2([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001172111062 1132132836 /nfs/dbraw/zinc/13/28/36/1132132836.db2.gz RMCHFHKLTVTKKX-NNZMDNLPSA-N 2 1 284.447 3.589 20 0 CHADMP C[C@H](CC1CCCCC1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172112925 1132133616 /nfs/dbraw/zinc/13/36/16/1132133616.db2.gz AWYZWVUKNYTGLT-DDBAPUKQSA-N 2 1 278.484 3.950 20 0 CHADMP C[C@H](CC1CCCCC1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112925 1132133618 /nfs/dbraw/zinc/13/36/18/1132133618.db2.gz AWYZWVUKNYTGLT-DDBAPUKQSA-N 2 1 278.484 3.950 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC3(CCCC3)C1)C2 ZINC001172122252 1132135492 /nfs/dbraw/zinc/13/54/92/1132135492.db2.gz YJUUVPIZBLYJRV-BJWYYQGGSA-N 2 1 276.468 3.658 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCCC3(CCCC3)C1)C2 ZINC001172122252 1132135497 /nfs/dbraw/zinc/13/54/97/1132135497.db2.gz YJUUVPIZBLYJRV-BJWYYQGGSA-N 2 1 276.468 3.658 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCC3(CCCC3)C1)C2 ZINC001172122252 1132135499 /nfs/dbraw/zinc/13/54/99/1132135499.db2.gz YJUUVPIZBLYJRV-BJWYYQGGSA-N 2 1 276.468 3.658 20 0 CHADMP Cc1ccc(C[N@@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1C ZINC001172122370 1132136235 /nfs/dbraw/zinc/13/62/35/1132136235.db2.gz AGEQZCVMKLEAOW-REPLKXPHSA-N 2 1 286.463 3.751 20 0 CHADMP Cc1ccc(C[N@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1C ZINC001172122370 1132136238 /nfs/dbraw/zinc/13/62/38/1132136238.db2.gz AGEQZCVMKLEAOW-REPLKXPHSA-N 2 1 286.463 3.751 20 0 CHADMP Cc1ccc(C[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1C ZINC001172122370 1132136241 /nfs/dbraw/zinc/13/62/41/1132136241.db2.gz AGEQZCVMKLEAOW-REPLKXPHSA-N 2 1 286.463 3.751 20 0 CHADMP Cc1ccc(C[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C ZINC001172122370 1132136245 /nfs/dbraw/zinc/13/62/45/1132136245.db2.gz AGEQZCVMKLEAOW-REPLKXPHSA-N 2 1 286.463 3.751 20 0 CHADMP CC[C@H](C)OCC[C@H](C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001172340373 1132177196 /nfs/dbraw/zinc/17/71/96/1132177196.db2.gz QIBDBZBYEBWPSH-IRXDYDNUSA-N 2 1 296.499 3.530 20 0 CHADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001172358138 1132187317 /nfs/dbraw/zinc/18/73/17/1132187317.db2.gz DONTXSRYFVDXGB-HRCADAONSA-N 2 1 254.462 3.523 20 0 CHADMP CC[C@H](CC(C)C)N(c1[nH+]cccc1C)C1CC[NH2+]CC1 ZINC001172404938 1132196794 /nfs/dbraw/zinc/19/67/94/1132196794.db2.gz OFYVFAWOZAJUEL-MRXNPFEDSA-N 2 1 289.467 3.773 20 0 CHADMP CCOCC[C@H](C)[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001172430500 1132206008 /nfs/dbraw/zinc/20/60/08/1132206008.db2.gz GVWRFFMUJDNTAQ-INIZCTEOSA-N 2 1 296.499 3.530 20 0 CHADMP CC[C@H](CC(C)C)[NH2+]C1CCN(c2[nH+]cccc2C)CC1 ZINC001172395353 1132218722 /nfs/dbraw/zinc/21/87/22/1132218722.db2.gz LLXYDAOHEQIFRP-MRXNPFEDSA-N 2 1 289.467 3.773 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)[C@H](C)CCOCC(C)C)CC1 ZINC001172480818 1132229504 /nfs/dbraw/zinc/22/95/04/1132229504.db2.gz ORSBGTQOJAEFHQ-QGZVFWFLSA-N 2 1 298.515 3.634 20 0 CHADMP CCCCCC[C@H](CCCC)[NH2+]C1CC[NH+](CCO)CC1 ZINC001172515407 1132260125 /nfs/dbraw/zinc/26/01/25/1132260125.db2.gz AHAKOPJBNRIPKQ-KRWDZBQOSA-N 2 1 298.515 3.562 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172551684 1132264108 /nfs/dbraw/zinc/26/41/08/1132264108.db2.gz SMQAHJHGHBGGTE-MTHXSQLBSA-N 2 1 284.447 3.538 20 0 CHADMP C[N@H+]1CCC[C@H]([NH2+]C2CCC3(CCCC3)CC2)CC1 ZINC001172726534 1132299807 /nfs/dbraw/zinc/29/98/07/1132299807.db2.gz WYMPUYBUBDWJRU-HNNXBMFYSA-N 2 1 264.457 3.563 20 0 CHADMP [NH3+]CCCc1[nH+]ccn1C1CCC(Cc2ccccc2)CC1 ZINC001172821148 1132318269 /nfs/dbraw/zinc/31/82/69/1132318269.db2.gz IALRQWDBRDXFNH-UHFFFAOYSA-N 2 1 297.446 3.748 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001231645753 1132332806 /nfs/dbraw/zinc/33/28/06/1132332806.db2.gz AGSVVUNUGQEVOS-UHFFFAOYSA-N 2 1 288.460 3.736 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001231645753 1132332815 /nfs/dbraw/zinc/33/28/15/1132332815.db2.gz AGSVVUNUGQEVOS-UHFFFAOYSA-N 2 1 288.460 3.736 20 0 CHADMP CCCc1ccc(C[N@@H+](C(C)C)C2CCN(C)CC2)cc1 ZINC001142367378 1132375756 /nfs/dbraw/zinc/37/57/56/1132375756.db2.gz MKZNOFFSEXYQHJ-UHFFFAOYSA-N 2 1 288.479 3.944 20 0 CHADMP CCCOC1CCC([NH2+]CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001173092568 1132384750 /nfs/dbraw/zinc/38/47/50/1132384750.db2.gz VEDRAZPLUIRQLF-WWDZGPRUSA-N 2 1 296.499 3.578 20 0 CHADMP CC[NH+](CC)C1CCC([N@@H+](C)C[C@H]2CC2(C)C)CC1 ZINC001173113476 1132393795 /nfs/dbraw/zinc/39/37/95/1132393795.db2.gz QFXIANCVCZAWHK-QQFBHYJXSA-N 2 1 266.473 3.617 20 0 CHADMP CC[N@@H+]1C[C@@H]2C[NH+](C3CCC4(CCCCC4)CC3)C[C@@H]2C1 ZINC001173120532 1132400557 /nfs/dbraw/zinc/40/05/57/1132400557.db2.gz GGABVTAITRAEOY-CALCHBBNSA-N 2 1 290.495 3.763 20 0 CHADMP CC[NH+]1C[C@@H]2C[N@H+](C3CCC4(CCCCC4)CC3)C[C@@H]2C1 ZINC001173120532 1132400561 /nfs/dbraw/zinc/40/05/61/1132400561.db2.gz GGABVTAITRAEOY-CALCHBBNSA-N 2 1 290.495 3.763 20 0 CHADMP CC[NH+]1C[C@@H]2C[N@@H+](C3CCC4(CCCCC4)CC3)C[C@@H]2C1 ZINC001173120532 1132400563 /nfs/dbraw/zinc/40/05/63/1132400563.db2.gz GGABVTAITRAEOY-CALCHBBNSA-N 2 1 290.495 3.763 20 0 CHADMP C[NH+]1CC[C@]2(CC[N@@H+](C3CCC4(CCCCC4)CC3)C2)C1 ZINC001173122122 1132401710 /nfs/dbraw/zinc/40/17/10/1132401710.db2.gz ZQULEPSXWMCUNF-IBGZPJMESA-N 2 1 290.495 3.907 20 0 CHADMP C[NH+]1CC[C@]2(CC[N@H+](C3CCC4(CCCCC4)CC3)C2)C1 ZINC001173122122 1132401716 /nfs/dbraw/zinc/40/17/16/1132401716.db2.gz ZQULEPSXWMCUNF-IBGZPJMESA-N 2 1 290.495 3.907 20 0 CHADMP COc1ccc([C@H](C)[N@@H+](C)Cc2cc3c[nH+]ccc3[nH]2)cc1 ZINC001232015873 1132410617 /nfs/dbraw/zinc/41/06/17/1132410617.db2.gz NHLNXFZPIFXQJR-ZDUSSCGKSA-N 2 1 295.386 3.765 20 0 CHADMP Fc1cccc([C@@H]2CC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001232016374 1132410673 /nfs/dbraw/zinc/41/06/73/1132410673.db2.gz WIVXXDGVGCWTHH-CQSZACIVSA-N 2 1 295.361 3.692 20 0 CHADMP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)C12CC3CC(CC(C3)C1)C2 ZINC001232015017 1132410877 /nfs/dbraw/zinc/41/08/77/1132410877.db2.gz ZSVGKEAIVGCMAZ-UHFFFAOYSA-N 2 1 295.430 3.964 20 0 CHADMP c1c2c[nH+]ccc2[nH]c1C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC001232016178 1132411024 /nfs/dbraw/zinc/41/10/24/1132411024.db2.gz SVWHOTOYZXRHCA-UHFFFAOYSA-N 2 1 289.382 3.852 20 0 CHADMP CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001173275549 1132419104 /nfs/dbraw/zinc/41/91/04/1132419104.db2.gz SGWLQPCYNNHIPW-OWCLPIDISA-N 2 1 264.457 3.562 20 0 CHADMP CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001173275549 1132419106 /nfs/dbraw/zinc/41/91/06/1132419106.db2.gz SGWLQPCYNNHIPW-OWCLPIDISA-N 2 1 264.457 3.562 20 0 CHADMP CCCC[C@H](CC(C)C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001173251012 1132421180 /nfs/dbraw/zinc/42/11/80/1132421180.db2.gz XNLVQLRSEAUCQT-WCXIOVBPSA-N 2 1 266.473 3.806 20 0 CHADMP COc1ccc([C@H]2CCC[N@H+]2CCCCCCC[NH3+])cc1 ZINC000842471450 1132432819 /nfs/dbraw/zinc/43/28/19/1132432819.db2.gz BZGFAVOPWXIQEL-GOSISDBHSA-N 2 1 290.451 3.741 20 0 CHADMP CCS[C@@H]1CC[C@H]([N@@H+](C)CCCCCCC[NH3+])C1 ZINC000842472413 1132433191 /nfs/dbraw/zinc/43/31/91/1132433191.db2.gz ABKDXRQBYOXSTP-LSDHHAIUSA-N 2 1 272.502 3.502 20 0 CHADMP Cc1cc(C)c([C@@H](C)[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)c(C)c1 ZINC000842478044 1132433447 /nfs/dbraw/zinc/43/34/47/1132433447.db2.gz KOQVNIHQUBSMTC-SJLPKXTDSA-N 2 1 272.436 3.501 20 0 CHADMP Cc1cc(C)c([C@@H](C)[N@H+]2CC[C@]3(CCC[NH2+]3)C2)c(C)c1 ZINC000842478044 1132433451 /nfs/dbraw/zinc/43/34/51/1132433451.db2.gz KOQVNIHQUBSMTC-SJLPKXTDSA-N 2 1 272.436 3.501 20 0 CHADMP [NH3+]CCCc1[nH+]ccn1[C@@H]1CCCC2(CCCCC2)C1 ZINC001173345010 1132470255 /nfs/dbraw/zinc/47/02/55/1132470255.db2.gz BUNHEQJCQMDOBJ-OAHLLOKOSA-N 2 1 275.440 3.840 20 0 CHADMP [NH3+]CCCc1[nH+]ccn1[C@H]1CCCC2(CCCCC2)C1 ZINC001173345009 1132470476 /nfs/dbraw/zinc/47/04/76/1132470476.db2.gz BUNHEQJCQMDOBJ-HNNXBMFYSA-N 2 1 275.440 3.840 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001173346407 1132472022 /nfs/dbraw/zinc/47/20/22/1132472022.db2.gz LJENFXBEDUXAJN-IKGGRYGDSA-N 2 1 278.484 3.809 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001173346407 1132472028 /nfs/dbraw/zinc/47/20/28/1132472028.db2.gz LJENFXBEDUXAJN-IKGGRYGDSA-N 2 1 278.484 3.809 20 0 CHADMP c1cn2c([nH+]1)CC[N@H+]([C@@H]1CCCC3(CCCCC3)C1)CC2 ZINC001173348177 1132473389 /nfs/dbraw/zinc/47/33/89/1132473389.db2.gz GHNLMMOLEUDMTK-MRXNPFEDSA-N 2 1 287.451 3.634 20 0 CHADMP c1cn2c([nH+]1)CC[N@@H+]([C@@H]1CCCC3(CCCCC3)C1)CC2 ZINC001173348177 1132473392 /nfs/dbraw/zinc/47/33/92/1132473392.db2.gz GHNLMMOLEUDMTK-MRXNPFEDSA-N 2 1 287.451 3.634 20 0 CHADMP C[N@@H+]([C@H]1CC[C@@](C)(c2ccccc2)C1)C1CCC([NH3+])CC1 ZINC000843054916 1132493947 /nfs/dbraw/zinc/49/39/47/1132493947.db2.gz NIMILPUYGMIKRZ-WZOJCFFYSA-N 2 1 286.463 3.699 20 0 CHADMP CC(C)c1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)ccc1Cl ZINC001206211018 1132505222 /nfs/dbraw/zinc/50/52/22/1132505222.db2.gz MFEQUBPKIIMANL-HZPDHXFCSA-N 2 1 298.833 3.725 20 0 CHADMP CC(C)c1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)ccc1Cl ZINC001206211018 1132505229 /nfs/dbraw/zinc/50/52/29/1132505229.db2.gz MFEQUBPKIIMANL-HZPDHXFCSA-N 2 1 298.833 3.725 20 0 CHADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCc1ccc(Cl)cc1 ZINC000843360677 1132521954 /nfs/dbraw/zinc/52/19/54/1132521954.db2.gz FPYNWHLYNHBSNO-ALOPSCKCSA-N 2 1 292.854 3.617 20 0 CHADMP Cc1cc(C)c([C@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)c(C)c1 ZINC000843363762 1132523392 /nfs/dbraw/zinc/52/33/92/1132523392.db2.gz PDPZLODDEOUJCQ-KRWDZBQOSA-N 2 1 286.463 3.748 20 0 CHADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001206641060 1132568888 /nfs/dbraw/zinc/56/88/88/1132568888.db2.gz SABDHSHWDXMHRX-INIZCTEOSA-N 2 1 272.436 3.515 20 0 CHADMP Cc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(C)c1Cl ZINC001206649816 1132602008 /nfs/dbraw/zinc/60/20/08/1132602008.db2.gz ZLMLDTWANHMUFG-AWEZNQCLSA-N 2 1 280.843 3.518 20 0 CHADMP Cc1cc[nH+]c(Nc2ccc(C3CC[NH2+]CC3)cc2)c1 ZINC001159105542 1132807071 /nfs/dbraw/zinc/80/70/71/1132807071.db2.gz WDZVTJIJISPDBF-UHFFFAOYSA-N 2 1 267.376 3.601 20 0 CHADMP Cc1[nH+]c2ccccn2c1Nc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001159203993 1132815914 /nfs/dbraw/zinc/81/59/14/1132815914.db2.gz PFAQOUMEDLZTQC-INIZCTEOSA-N 2 1 292.386 3.811 20 0 CHADMP C[C@H](C[NH3+])CN(Cc1ccccc1)c1cc(C2CC2)cc[nH+]1 ZINC001160661679 1132977836 /nfs/dbraw/zinc/97/78/36/1132977836.db2.gz HUMIHTILDCOBPB-OAHLLOKOSA-N 2 1 295.430 3.560 20 0 CHADMP Cc1c[nH+]c(NC[C@@H]2CCC[NH2+]C[C@@H]2C)c2ccccc12 ZINC001162454475 1133078977 /nfs/dbraw/zinc/07/89/77/1133078977.db2.gz OLPLWZAHLFSRAV-ZFWWWQNUSA-N 2 1 283.419 3.591 20 0 CHADMP Cc1cc[nH+]c2cc(N[C@@H]3C[NH2+]Cc4ccsc43)ccc12 ZINC001163230629 1133138576 /nfs/dbraw/zinc/13/85/76/1133138576.db2.gz YQVIQEWEXVJGEF-MRXNPFEDSA-N 2 1 295.411 3.861 20 0 CHADMP Cc1ccc2c(NCC[C@H]3CCC[N@H+](C)C3)cc[nH+]c2c1 ZINC001165300337 1133237581 /nfs/dbraw/zinc/23/75/81/1133237581.db2.gz MCCJAMCKUHLWAY-OAHLLOKOSA-N 2 1 283.419 3.687 20 0 CHADMP CN1CCC[C@H]2C[N@@H+](Cc3ccc(C(C)(C)C)cc3)C[C@H]21 ZINC001204398701 1133255954 /nfs/dbraw/zinc/25/59/54/1133255954.db2.gz MNHDXICGONLEMS-FUHWJXTLSA-N 2 1 286.463 3.510 20 0 CHADMP C[N@@H+]1CCC[C@H]2CN(Cc3ccc(C(C)(C)C)cc3)C[C@H]21 ZINC001204398701 1133255958 /nfs/dbraw/zinc/25/59/58/1133255958.db2.gz MNHDXICGONLEMS-FUHWJXTLSA-N 2 1 286.463 3.510 20 0 CHADMP C[N@H+]1CCC[C@H]2CN(Cc3ccc(C(C)(C)C)cc3)C[C@H]21 ZINC001204398701 1133255964 /nfs/dbraw/zinc/25/59/64/1133255964.db2.gz MNHDXICGONLEMS-FUHWJXTLSA-N 2 1 286.463 3.510 20 0 CHADMP Cc1ccccc1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001203706799 1133356300 /nfs/dbraw/zinc/35/63/00/1133356300.db2.gz PRKYYPPTVJTULR-LJQANCHMSA-N 2 1 286.463 3.835 20 0 CHADMP CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC001204155526 1133411582 /nfs/dbraw/zinc/41/15/82/1133411582.db2.gz XOGADJHHANZBSU-MAUKXSAKSA-N 2 1 298.434 3.668 20 0 CHADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC001204155526 1133411584 /nfs/dbraw/zinc/41/15/84/1133411584.db2.gz XOGADJHHANZBSU-MAUKXSAKSA-N 2 1 298.434 3.668 20 0 CHADMP CC(C)(C)[N@@H+](Cc1ccccc1)CC1(C)CC[NH2+]CC1 ZINC001204604447 1133466263 /nfs/dbraw/zinc/46/62/63/1133466263.db2.gz OXMKVHSOQBJAOQ-UHFFFAOYSA-N 2 1 274.452 3.677 20 0 CHADMP CC[NH+]1CCC(C[N@H+]2CCCC[C@H]2CC(C)C)CC1 ZINC001204609231 1133466860 /nfs/dbraw/zinc/46/68/60/1133466860.db2.gz QHTIGLTVQUTTIQ-KRWDZBQOSA-N 2 1 266.473 3.619 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(C)c1 ZINC001204727828 1133479747 /nfs/dbraw/zinc/47/97/47/1133479747.db2.gz RDPDQXFQWVPDSQ-UHFFFAOYSA-N 2 1 286.463 3.577 20 0 CHADMP c1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c2c(c1)CCCC2 ZINC001204742688 1133480595 /nfs/dbraw/zinc/48/05/95/1133480595.db2.gz QQCHOMPRFPZLRW-UHFFFAOYSA-N 2 1 298.474 3.531 20 0 CHADMP CCC[C@]1(C)CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC001204776219 1133484280 /nfs/dbraw/zinc/48/42/80/1133484280.db2.gz LWCUHPIMGCADCT-GOSISDBHSA-N 2 1 298.434 3.670 20 0 CHADMP CCC[C@]1(C)CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC001204776219 1133484283 /nfs/dbraw/zinc/48/42/83/1133484283.db2.gz LWCUHPIMGCADCT-GOSISDBHSA-N 2 1 298.434 3.670 20 0 CHADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001204877507 1133494891 /nfs/dbraw/zinc/49/48/91/1133494891.db2.gz KYAREGYWBFMHIB-YJBOKZPZSA-N 2 1 288.479 3.586 20 0 CHADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CCC[C@H]([NH3+])C1 ZINC001204877507 1133494894 /nfs/dbraw/zinc/49/48/94/1133494894.db2.gz KYAREGYWBFMHIB-YJBOKZPZSA-N 2 1 288.479 3.586 20 0 CHADMP C[C@H]1C[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)C[C@H]1C[NH3+] ZINC001205135874 1133535447 /nfs/dbraw/zinc/53/54/47/1133535447.db2.gz AZIOGVOVFZNFTH-KBXCAEBGSA-N 2 1 298.405 3.519 20 0 CHADMP C[C@H]1C[N@H+](CCC[NH2+]C2CCCCC2)Cc2ccccc21 ZINC001205164679 1133539862 /nfs/dbraw/zinc/53/98/62/1133539862.db2.gz MYEDJLPCPOPKKY-INIZCTEOSA-N 2 1 286.463 3.918 20 0 CHADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CCCCC2)Cc2ccccc21 ZINC001205164679 1133539866 /nfs/dbraw/zinc/53/98/66/1133539866.db2.gz MYEDJLPCPOPKKY-INIZCTEOSA-N 2 1 286.463 3.918 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CCCC[C@H]1c1ccccc1 ZINC001205171020 1133540449 /nfs/dbraw/zinc/54/04/49/1133540449.db2.gz JGUYXNSZJZPJCV-KRWDZBQOSA-N 2 1 260.425 3.733 20 0 CHADMP CC(C)=CCCC1=CC[C@H](C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)CC1 ZINC001205171141 1133540999 /nfs/dbraw/zinc/54/09/99/1133540999.db2.gz LEKJLOMJEGASQT-BPQIPLTHSA-N 2 1 276.468 3.881 20 0 CHADMP C[C@@H](CC[N@H+]1CCC[C@](C)([NH3+])CC1)CC(C)(C)C ZINC001205255833 1133550653 /nfs/dbraw/zinc/55/06/53/1133550653.db2.gz LPOWPIIFRUDKDT-HOCLYGCPSA-N 2 1 254.462 3.652 20 0 CHADMP C[C@]1([NH3+])CCC[N@@H+](CCCCCc2ccccc2)CC1 ZINC001205257938 1133551386 /nfs/dbraw/zinc/55/13/86/1133551386.db2.gz YUPRXNNKUUWPTP-SFHVURJKSA-N 2 1 274.452 3.603 20 0 CHADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cc3ccccc3s2)CC1 ZINC001205266326 1133552482 /nfs/dbraw/zinc/55/24/82/1133552482.db2.gz TUHWCDWDXSVGSI-INIZCTEOSA-N 2 1 274.433 3.605 20 0 CHADMP C[C@]1([NH3+])CCC[N@@H+](Cc2csc3ccccc23)CC1 ZINC001205274390 1133553333 /nfs/dbraw/zinc/55/33/33/1133553333.db2.gz WXOVJRDQIIPMFZ-INIZCTEOSA-N 2 1 274.433 3.605 20 0 CHADMP C[C@]1([NH3+])CCC[N@@H+](Cc2c[nH]c3c2cccc3Cl)CC1 ZINC001205273268 1133553704 /nfs/dbraw/zinc/55/37/04/1133553704.db2.gz JBWAPELEUZQQNX-INIZCTEOSA-N 2 1 291.826 3.525 20 0 CHADMP COc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1C(C)C ZINC001205273207 1133553985 /nfs/dbraw/zinc/55/39/85/1133553985.db2.gz HXNAPRPWIXOOOX-SFHVURJKSA-N 2 1 290.451 3.522 20 0 CHADMP CCCCc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)s1 ZINC001205306333 1133558359 /nfs/dbraw/zinc/55/83/59/1133558359.db2.gz VNYGXDFBGMFUCB-KBPBESRZSA-N 2 1 280.481 3.507 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC001205305520 1133558394 /nfs/dbraw/zinc/55/83/94/1133558394.db2.gz SBEDSRHZOUYPBR-RDJZCZTQSA-N 2 1 288.479 3.791 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3CC[NH2+]CC[C@H]3C)cc2)c1 ZINC001205331137 1133562273 /nfs/dbraw/zinc/56/22/73/1133562273.db2.gz FLFKSWQVHHQHGX-QGZVFWFLSA-N 2 1 294.442 3.846 20 0 CHADMP Cc1cccc(-c2ccc(C[N@@H+]3CC[NH2+]CC[C@H]3C)cc2)c1 ZINC001205331137 1133562275 /nfs/dbraw/zinc/56/22/75/1133562275.db2.gz FLFKSWQVHHQHGX-QGZVFWFLSA-N 2 1 294.442 3.846 20 0 CHADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(-c2cccs2)cc1 ZINC001205331023 1133562640 /nfs/dbraw/zinc/56/26/40/1133562640.db2.gz CPYVFRIIWCNKBJ-AWEZNQCLSA-N 2 1 286.444 3.599 20 0 CHADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc(-c2cccs2)cc1 ZINC001205331023 1133562645 /nfs/dbraw/zinc/56/26/45/1133562645.db2.gz CPYVFRIIWCNKBJ-AWEZNQCLSA-N 2 1 286.444 3.599 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205537600 1133585724 /nfs/dbraw/zinc/58/57/24/1133585724.db2.gz INNPOXZYEQFCDX-CVEARBPZSA-N 2 1 270.436 3.522 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205591982 1133592831 /nfs/dbraw/zinc/59/28/31/1133592831.db2.gz PHMCVGIFLUACMF-INIZCTEOSA-N 2 1 298.833 3.610 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c2ccccc12 ZINC001205618502 1133595965 /nfs/dbraw/zinc/59/59/65/1133595965.db2.gz WQKOJZOGKVSNFF-DOTOQJQBSA-N 2 1 296.458 3.955 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205652514 1133599576 /nfs/dbraw/zinc/59/95/76/1133599576.db2.gz PWQRFKDIVGBSTA-DZGCQCFKSA-N 2 1 294.870 3.764 20 0 CHADMP CC(C)C1CCC(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC001205702710 1133603835 /nfs/dbraw/zinc/60/38/35/1133603835.db2.gz MMXOGBFTEGRAGH-WZOJCFFYSA-N 2 1 292.511 3.865 20 0 CHADMP CC(C)C1CCC(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC001205702710 1133603836 /nfs/dbraw/zinc/60/38/36/1133603836.db2.gz MMXOGBFTEGRAGH-WZOJCFFYSA-N 2 1 292.511 3.865 20 0 CHADMP CC(C)C1CCC(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC001205702708 1133603917 /nfs/dbraw/zinc/60/39/17/1133603917.db2.gz MMXOGBFTEGRAGH-CSODTCANSA-N 2 1 292.511 3.865 20 0 CHADMP CC(C)C1CCC(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC001205702708 1133603920 /nfs/dbraw/zinc/60/39/20/1133603920.db2.gz MMXOGBFTEGRAGH-CSODTCANSA-N 2 1 292.511 3.865 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC001205716573 1133604684 /nfs/dbraw/zinc/60/46/84/1133604684.db2.gz JVPAUMROZHHHQV-GBESFXJTSA-N 2 1 286.463 3.787 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC001205716573 1133604687 /nfs/dbraw/zinc/60/46/87/1133604687.db2.gz JVPAUMROZHHHQV-GBESFXJTSA-N 2 1 286.463 3.787 20 0 CHADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)c2ccccc12 ZINC001205903011 1133628537 /nfs/dbraw/zinc/62/85/37/1133628537.db2.gz MSGAWBXZRIQQNL-ZIAGYGMSSA-N 2 1 286.394 3.538 20 0 CHADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205902995 1133628649 /nfs/dbraw/zinc/62/86/49/1133628649.db2.gz MHQRCIYDFDGVNN-YESZJQIVSA-N 2 1 298.515 3.667 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1 ZINC001205917196 1133629854 /nfs/dbraw/zinc/62/98/54/1133629854.db2.gz XHWXMPVBHHCSIY-YJBOKZPZSA-N 2 1 274.452 3.588 20 0 CHADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC001205912739 1133630427 /nfs/dbraw/zinc/63/04/27/1133630427.db2.gz BXAVZNUJXQTKIR-GDBMZVCRSA-N 2 1 284.403 3.506 20 0 CHADMP [NH3+][C@H]1CCCC[N@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC001205930591 1133630900 /nfs/dbraw/zinc/63/09/00/1133630900.db2.gz BAUVUEUGJNOGJM-IBGZPJMESA-N 2 1 280.415 3.667 20 0 CHADMP [NH3+][C@H]1CCCC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC001205930591 1133630904 /nfs/dbraw/zinc/63/09/04/1133630904.db2.gz BAUVUEUGJNOGJM-IBGZPJMESA-N 2 1 280.415 3.667 20 0 CHADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC001205926596 1133630998 /nfs/dbraw/zinc/63/09/98/1133630998.db2.gz SBBSVYRSCSXSKM-KSZLIROESA-N 2 1 280.500 3.913 20 0 CHADMP [NH3+][C@H]1CCCC[N@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001205931550 1133633435 /nfs/dbraw/zinc/63/34/35/1133633435.db2.gz LCWWRJQYSMUPEN-SFHVURJKSA-N 2 1 280.415 3.667 20 0 CHADMP [NH3+][C@H]1CCCC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001205931550 1133633438 /nfs/dbraw/zinc/63/34/38/1133633438.db2.gz LCWWRJQYSMUPEN-SFHVURJKSA-N 2 1 280.415 3.667 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2)CCC[C@H]1C[NH3+] ZINC001205995994 1133638911 /nfs/dbraw/zinc/63/89/11/1133638911.db2.gz SWVKHYJHBLUXEC-WBVHZDCISA-N 2 1 288.479 3.791 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206013151 1133640986 /nfs/dbraw/zinc/64/09/86/1133640986.db2.gz PRYAMNSNTKSVHD-FUHWJXTLSA-N 2 1 296.458 3.955 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206013150 1133641271 /nfs/dbraw/zinc/64/12/71/1133641271.db2.gz PRYAMNSNTKSVHD-AEFFLSMTSA-N 2 1 296.458 3.955 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc(C)c1Cl ZINC001206023753 1133643145 /nfs/dbraw/zinc/64/31/45/1133643145.db2.gz GNQYBDWRVMUIHN-GDBMZVCRSA-N 2 1 294.870 3.764 20 0 CHADMP [NH3+]Cc1cccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC001206049558 1133649026 /nfs/dbraw/zinc/64/90/26/1133649026.db2.gz OEVDUJIHHJTIJA-SFHVURJKSA-N 2 1 284.378 3.622 20 0 CHADMP Cc1c(C[N@H+]2CC[C@@H](C)[C@H]([NH3+])C2)cccc1-c1ccccc1 ZINC001206049888 1133649284 /nfs/dbraw/zinc/64/92/84/1133649284.db2.gz UEIRQEXPEWAZJC-FOIQADDNSA-N 2 1 294.442 3.831 20 0 CHADMP Cc1c(C[N@@H+]2CC[C@@H](C)[C@H]([NH3+])C2)cccc1-c1ccccc1 ZINC001206049888 1133649289 /nfs/dbraw/zinc/64/92/89/1133649289.db2.gz UEIRQEXPEWAZJC-FOIQADDNSA-N 2 1 294.442 3.831 20 0 CHADMP CCc1cccc(C)c1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206325173 1133690023 /nfs/dbraw/zinc/69/00/23/1133690023.db2.gz GBVFVNVVBDAIJI-GOSISDBHSA-N 2 1 274.452 3.508 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(C)c1Cl ZINC001206336336 1133691791 /nfs/dbraw/zinc/69/17/91/1133691791.db2.gz MBXLPRTZWOIZGQ-QGZVFWFLSA-N 2 1 294.870 3.908 20 0 CHADMP Cc1csc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c1Cl ZINC001206549443 1133716989 /nfs/dbraw/zinc/71/69/89/1133716989.db2.gz NBXHXJPGSLANID-CQSZACIVSA-N 2 1 286.872 3.661 20 0 CHADMP Cc1csc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1Cl ZINC001206549443 1133716991 /nfs/dbraw/zinc/71/69/91/1133716991.db2.gz NBXHXJPGSLANID-CQSZACIVSA-N 2 1 286.872 3.661 20 0 CHADMP Cc1c(C)c(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)ccc1Cl ZINC001206575739 1133720329 /nfs/dbraw/zinc/72/03/29/1133720329.db2.gz XMVCKLUTEVFUDE-QGZVFWFLSA-N 2 1 294.870 3.908 20 0 CHADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc3cccccc2-3)C1 ZINC001206572848 1133721305 /nfs/dbraw/zinc/72/13/05/1133721305.db2.gz GBQYJLOKOFBUSE-IBGZPJMESA-N 2 1 282.431 3.742 20 0 CHADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2c3ccoc3ccc2F)C1 ZINC001206580577 1133721622 /nfs/dbraw/zinc/72/16/22/1133721622.db2.gz FDKNRNOLKFJBTM-KRWDZBQOSA-N 2 1 290.382 3.523 20 0 CHADMP Cc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc1C ZINC001206582101 1133722574 /nfs/dbraw/zinc/72/25/74/1133722574.db2.gz LWBHSDLERWVQGU-GOSISDBHSA-N 2 1 274.452 3.656 20 0 CHADMP CC(C)[N@H+](Cc1cccc(F)c1Cl)[C@H]1CCC[NH2+]CC1 ZINC001206591057 1133723145 /nfs/dbraw/zinc/72/31/45/1133723145.db2.gz PWCSYOISPDKIRH-AWEZNQCLSA-N 2 1 298.833 3.832 20 0 CHADMP CC(C)[N@@H+](Cc1cccc(F)c1Cl)[C@H]1CCC[NH2+]CC1 ZINC001206591057 1133723150 /nfs/dbraw/zinc/72/31/50/1133723150.db2.gz PWCSYOISPDKIRH-AWEZNQCLSA-N 2 1 298.833 3.832 20 0 CHADMP CC(C)[N@H+](Cc1cccc(Cl)c1F)[C@H]1CCC[NH2+]CC1 ZINC001206591305 1133723713 /nfs/dbraw/zinc/72/37/13/1133723713.db2.gz RCBMDJNYOBMSQX-AWEZNQCLSA-N 2 1 298.833 3.832 20 0 CHADMP CC(C)[N@@H+](Cc1cccc(Cl)c1F)[C@H]1CCC[NH2+]CC1 ZINC001206591305 1133723716 /nfs/dbraw/zinc/72/37/16/1133723716.db2.gz RCBMDJNYOBMSQX-AWEZNQCLSA-N 2 1 298.833 3.832 20 0 CHADMP CCc1ccc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)s1 ZINC001206592224 1133724460 /nfs/dbraw/zinc/72/44/60/1133724460.db2.gz YUNUPSOFQJEXDH-AWEZNQCLSA-N 2 1 280.481 3.663 20 0 CHADMP CCCc1ccc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc1 ZINC001206591520 1133724732 /nfs/dbraw/zinc/72/47/32/1133724732.db2.gz SIDLZHWBOSEUIM-IBGZPJMESA-N 2 1 288.479 3.992 20 0 CHADMP C[C@H](CC[N@H+]1CCCC[C@@H](C[NH3+])C1)CC(C)(C)C ZINC001206606452 1133726356 /nfs/dbraw/zinc/72/63/56/1133726356.db2.gz NOXNNASPNSHQMX-CABCVRRESA-N 2 1 254.462 3.510 20 0 CHADMP CC/C=C\CCCCC[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206761319 1133743388 /nfs/dbraw/zinc/74/33/88/1133743388.db2.gz WTBZLPRLEXPXDY-XETQRACLSA-N 2 1 252.446 3.572 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206771447 1133746861 /nfs/dbraw/zinc/74/68/61/1133746861.db2.gz WTRFQJQGQZNZIK-JSGCOSHPSA-N 2 1 288.460 3.769 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cccc2c(F)cccc12 ZINC001206811440 1133750718 /nfs/dbraw/zinc/75/07/18/1133750718.db2.gz UPSZZBCVTAQHJT-KBPBESRZSA-N 2 1 286.394 3.538 20 0 CHADMP CC1=CC[C@@H](CC[NH+]2CCC([NH+]3CCC3)CC2)C1(C)C ZINC001207275600 1133785884 /nfs/dbraw/zinc/78/58/84/1133785884.db2.gz NNNXXVLAPPESRQ-INIZCTEOSA-N 2 1 276.468 3.539 20 0 CHADMP C[NH+]1CCC(CC[N@H+]2CCC[C@H]2c2cccs2)CC1 ZINC001207485624 1133805589 /nfs/dbraw/zinc/80/55/89/1133805589.db2.gz YPZYTQPDHABZLB-HNNXBMFYSA-N 2 1 278.465 3.617 20 0 CHADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC001208107670 1133876301 /nfs/dbraw/zinc/87/63/01/1133876301.db2.gz XVHWCHSQCKXWLB-QGZVFWFLSA-N 2 1 272.436 3.555 20 0 CHADMP C[NH+]1CCC(C)(C[N@H+]2CCCC[C@@H]2c2ccccc2)CC1 ZINC001208106970 1133876941 /nfs/dbraw/zinc/87/69/41/1133876941.db2.gz IBZCYMUDZSFMGD-GOSISDBHSA-N 2 1 286.463 3.946 20 0 CHADMP CCC[N@@H+](Cc1ccccc1)CC1(C)CC[NH+](C)CC1 ZINC001208107460 1133877673 /nfs/dbraw/zinc/87/76/73/1133877673.db2.gz TUDPYOGIXMEBDB-UHFFFAOYSA-N 2 1 274.452 3.631 20 0 CHADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@H]2c2cccc(F)c2)CC1 ZINC001208114059 1133878410 /nfs/dbraw/zinc/87/84/10/1133878410.db2.gz QPVUXPUPFFSBMI-KRWDZBQOSA-N 2 1 290.426 3.695 20 0 CHADMP CC[N@@H+](CC1(C[NH+](C)C)CCCC1)C1CCCCC1 ZINC001208182042 1133901275 /nfs/dbraw/zinc/90/12/75/1133901275.db2.gz LKWHRJNIDRLDEO-UHFFFAOYSA-N 2 1 266.473 3.763 20 0 CHADMP C[NH+](C)CC1(C[N@H+](C)C/C=C/c2ccccc2)CCCC1 ZINC001208186688 1133902756 /nfs/dbraw/zinc/90/27/56/1133902756.db2.gz YOSKPMJHWYWJHX-FMIVXFBMSA-N 2 1 286.463 3.754 20 0 CHADMP C[NH+](C)CC1(C[N@@H+](C)C/C=C/c2ccccc2)CCCC1 ZINC001208186688 1133902760 /nfs/dbraw/zinc/90/27/60/1133902760.db2.gz YOSKPMJHWYWJHX-FMIVXFBMSA-N 2 1 286.463 3.754 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001208194927 1133904267 /nfs/dbraw/zinc/90/42/67/1133904267.db2.gz TVVXXCFPZMGCQG-VGOKWCNXSA-N 2 1 264.457 3.541 20 0 CHADMP CC/C=C\CCCCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001208194927 1133904271 /nfs/dbraw/zinc/90/42/71/1133904271.db2.gz TVVXXCFPZMGCQG-VGOKWCNXSA-N 2 1 264.457 3.541 20 0 CHADMP CC/C=C\CCCCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001208194927 1133904275 /nfs/dbraw/zinc/90/42/75/1133904275.db2.gz TVVXXCFPZMGCQG-VGOKWCNXSA-N 2 1 264.457 3.541 20 0 CHADMP CC[N@@H+](Cc1ccc(Cl)cc1)C[C@H]1CCC[NH+](C)C1 ZINC001208613861 1133917992 /nfs/dbraw/zinc/91/79/92/1133917992.db2.gz BOKUGSXIHLMLFE-HNNXBMFYSA-N 2 1 280.843 3.504 20 0 CHADMP CC[N@H+](Cc1ccc(Cl)cc1)C[C@H]1CCC[NH+](C)C1 ZINC001208613861 1133917996 /nfs/dbraw/zinc/91/79/96/1133917996.db2.gz BOKUGSXIHLMLFE-HNNXBMFYSA-N 2 1 280.843 3.504 20 0 CHADMP CC[NH+](Cc1ccc(Cl)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC001208613861 1133918000 /nfs/dbraw/zinc/91/80/00/1133918000.db2.gz BOKUGSXIHLMLFE-HNNXBMFYSA-N 2 1 280.843 3.504 20 0 CHADMP CC[NH+](Cc1ccc(Cl)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC001208613861 1133918005 /nfs/dbraw/zinc/91/80/05/1133918005.db2.gz BOKUGSXIHLMLFE-HNNXBMFYSA-N 2 1 280.843 3.504 20 0 CHADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC001208610025 1133918371 /nfs/dbraw/zinc/91/83/71/1133918371.db2.gz YALSCEFQJQIWKO-YOEHRIQHSA-N 2 1 292.854 3.819 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC001208610025 1133918376 /nfs/dbraw/zinc/91/83/76/1133918376.db2.gz YALSCEFQJQIWKO-YOEHRIQHSA-N 2 1 292.854 3.819 20 0 CHADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC001208610025 1133918378 /nfs/dbraw/zinc/91/83/78/1133918378.db2.gz YALSCEFQJQIWKO-YOEHRIQHSA-N 2 1 292.854 3.819 20 0 CHADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC001208610025 1133918381 /nfs/dbraw/zinc/91/83/81/1133918381.db2.gz YALSCEFQJQIWKO-YOEHRIQHSA-N 2 1 292.854 3.819 20 0 CHADMP CC[NH+]1CCC(C[N@H+]2CCc3c4ccccc4oc3C2)CC1 ZINC001208601918 1133919912 /nfs/dbraw/zinc/91/99/12/1133919912.db2.gz SVEGJSNMKFUWTK-UHFFFAOYSA-N 2 1 298.430 3.523 20 0 CHADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H]1C ZINC001208951105 1133966061 /nfs/dbraw/zinc/96/60/61/1133966061.db2.gz YPKHQCALBAANDQ-ZHALLVOQSA-N 2 1 286.463 3.629 20 0 CHADMP C[C@@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1C ZINC001208951105 1133966063 /nfs/dbraw/zinc/96/60/63/1133966063.db2.gz YPKHQCALBAANDQ-ZHALLVOQSA-N 2 1 286.463 3.629 20 0 CHADMP C[C@@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1C ZINC001208951105 1133966065 /nfs/dbraw/zinc/96/60/65/1133966065.db2.gz YPKHQCALBAANDQ-ZHALLVOQSA-N 2 1 286.463 3.629 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC4(CCC4)C3)C2)cc1 ZINC001208951819 1133966360 /nfs/dbraw/zinc/96/63/60/1133966360.db2.gz BQNKXSPVVRACQX-IBGZPJMESA-N 2 1 298.474 3.775 20 0 CHADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CCCC4(CCC4)C3)C2)cc1 ZINC001208951819 1133966366 /nfs/dbraw/zinc/96/63/66/1133966366.db2.gz BQNKXSPVVRACQX-IBGZPJMESA-N 2 1 298.474 3.775 20 0 CHADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CCCC4(CCC4)C3)C2)cc1 ZINC001208951819 1133966371 /nfs/dbraw/zinc/96/63/71/1133966371.db2.gz BQNKXSPVVRACQX-IBGZPJMESA-N 2 1 298.474 3.775 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC4(CC4)CC3)C2)cc1 ZINC001208934339 1133966453 /nfs/dbraw/zinc/96/64/53/1133966453.db2.gz ZZSZLCQPGKKOMA-IBGZPJMESA-N 2 1 298.474 3.775 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC4(CCC4)C3)C2)cc1 ZINC001208940676 1133966771 /nfs/dbraw/zinc/96/67/71/1133966771.db2.gz VGPQOZZFGFYKEA-LJQANCHMSA-N 2 1 298.474 3.775 20 0 CHADMP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCC4(CCC4)C3)C2)cc1 ZINC001208940676 1133966774 /nfs/dbraw/zinc/96/67/74/1133966774.db2.gz VGPQOZZFGFYKEA-LJQANCHMSA-N 2 1 298.474 3.775 20 0 CHADMP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCC4(CCC4)C3)C2)cc1 ZINC001208940676 1133966778 /nfs/dbraw/zinc/96/67/78/1133966778.db2.gz VGPQOZZFGFYKEA-LJQANCHMSA-N 2 1 298.474 3.775 20 0 CHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C[C@@H]3C[C@@H]3C)C[C@@H]21 ZINC001209415019 1134015321 /nfs/dbraw/zinc/01/53/21/1134015321.db2.gz ODTANRJFLRVJLO-ZESOOZHZSA-N 2 1 298.474 3.753 20 0 CHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](C[C@@H]3C[C@@H]3C)C[C@@H]21 ZINC001209415019 1134015326 /nfs/dbraw/zinc/01/53/26/1134015326.db2.gz ODTANRJFLRVJLO-ZESOOZHZSA-N 2 1 298.474 3.753 20 0 CHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](C[C@@H]3C[C@@H]3C)C[C@@H]21 ZINC001209415019 1134015329 /nfs/dbraw/zinc/01/53/29/1134015329.db2.gz ODTANRJFLRVJLO-ZESOOZHZSA-N 2 1 298.474 3.753 20 0 CHADMP CC[NH+](CC)Cc1ccc(Nc2c[nH+]c3ccccn23)cc1 ZINC001209822397 1134072179 /nfs/dbraw/zinc/07/21/79/1134072179.db2.gz JCQDNWZHXMHNRL-UHFFFAOYSA-N 2 1 294.402 3.920 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2cccc3c4ccccc4oc32)CC[NH2+]1 ZINC001210497882 1134230622 /nfs/dbraw/zinc/23/06/22/1134230622.db2.gz OWZMMJBWJAJTBW-CQSZACIVSA-N 2 1 294.398 3.770 20 0 CHADMP C[NH2+]CC1C[NH+](Cc2cccc3c4ccccc4sc32)C1 ZINC001210561556 1134249093 /nfs/dbraw/zinc/24/90/93/1134249093.db2.gz QNMHCXFNHYJKDC-UHFFFAOYSA-N 2 1 296.439 3.706 20 0 CHADMP Cc1cccc2[nH+]cc(NC3=CC[C@H]([NH+]4CCCC4)CC3)n21 ZINC001210708703 1134276652 /nfs/dbraw/zinc/27/66/52/1134276652.db2.gz PAXZRKNPSCFKCX-INIZCTEOSA-N 2 1 296.418 3.587 20 0 CHADMP CC(C)C[NH2+]Cc1ccc(Nc2c[nH+]c3ccccn23)cc1 ZINC001215743992 1134671612 /nfs/dbraw/zinc/67/16/12/1134671612.db2.gz MJFFSHLCXXJCKL-UHFFFAOYSA-N 2 1 294.402 3.824 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c2ccccc12 ZINC001222142209 1135199930 /nfs/dbraw/zinc/19/99/30/1135199930.db2.gz XBEHZBLVDZAYLU-HXUWFJFHSA-N 2 1 294.442 3.724 20 0 CHADMP Fc1ccccc1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161644 1135202905 /nfs/dbraw/zinc/20/29/05/1135202905.db2.gz QWANJEIANGBFGS-GOSISDBHSA-N 2 1 290.426 3.572 20 0 CHADMP Fc1ccccc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161644 1135202912 /nfs/dbraw/zinc/20/29/12/1135202912.db2.gz QWANJEIANGBFGS-GOSISDBHSA-N 2 1 290.426 3.572 20 0 CHADMP Cc1cccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222162078 1135203221 /nfs/dbraw/zinc/20/32/21/1135203221.db2.gz XIFQZCIMMDKWNA-IBGZPJMESA-N 2 1 286.463 3.741 20 0 CHADMP CC(C)Cc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222247335 1135214778 /nfs/dbraw/zinc/21/47/78/1135214778.db2.gz DBXMJPKBPCOSNM-LJQANCHMSA-N 2 1 286.463 3.603 20 0 CHADMP CC(C)Cc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222247335 1135214783 /nfs/dbraw/zinc/21/47/83/1135214783.db2.gz DBXMJPKBPCOSNM-LJQANCHMSA-N 2 1 286.463 3.603 20 0 CHADMP CCc1cccc(C)c1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222277686 1135217322 /nfs/dbraw/zinc/21/73/22/1135217322.db2.gz QMAFQGGBAHXKHI-IBGZPJMESA-N 2 1 286.463 3.523 20 0 CHADMP Fc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c(Cl)c1 ZINC001222308118 1135221338 /nfs/dbraw/zinc/22/13/38/1135221338.db2.gz HBLWZEVOGNSPMP-INIZCTEOSA-N 2 1 296.817 3.587 20 0 CHADMP Fc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c(Cl)c1 ZINC001222308118 1135221342 /nfs/dbraw/zinc/22/13/42/1135221342.db2.gz HBLWZEVOGNSPMP-INIZCTEOSA-N 2 1 296.817 3.587 20 0 CHADMP CC1=CC[C@@H](CC[N@H+]2CCC[C@@]23CCC[NH2+]CC3)C1(C)C ZINC001222307847 1135221891 /nfs/dbraw/zinc/22/18/91/1135221891.db2.gz CFNYKMHNJDPWSF-PKOBYXMFSA-N 2 1 290.495 3.977 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222309230 1135222861 /nfs/dbraw/zinc/22/28/61/1135222861.db2.gz OOHIGNHMIOPCHS-QZTJIDSGSA-N 2 1 278.484 3.977 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc(C)c1F ZINC001222316800 1135224923 /nfs/dbraw/zinc/22/49/23/1135224923.db2.gz YOQNUAMXGVOFJT-GOSISDBHSA-N 2 1 290.426 3.551 20 0 CHADMP CC(C)c1cccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222320328 1135225212 /nfs/dbraw/zinc/22/52/12/1135225212.db2.gz GNOVBZGVTPZEBZ-IBGZPJMESA-N 2 1 286.463 3.918 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222346712 1135229522 /nfs/dbraw/zinc/22/95/22/1135229522.db2.gz RRNCLJMYUQXOMK-IAGOWNOFSA-N 2 1 264.457 3.587 20 0 CHADMP CC/C=C\CCCCC[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222346811 1135229540 /nfs/dbraw/zinc/22/95/40/1135229540.db2.gz TTXTWIRKUYSCGW-LIMHQNJXSA-N 2 1 264.457 3.731 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222346811 1135229543 /nfs/dbraw/zinc/22/95/43/1135229543.db2.gz TTXTWIRKUYSCGW-LIMHQNJXSA-N 2 1 264.457 3.731 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385720 1135233795 /nfs/dbraw/zinc/23/37/95/1135233795.db2.gz VBGZVGFSABGUDE-ZWKOTPCHSA-N 2 1 278.484 3.977 20 0 CHADMP CCCC[C@@H](CC)C[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385629 1135234082 /nfs/dbraw/zinc/23/40/82/1135234082.db2.gz RZOGRUQESDXMMR-IAGOWNOFSA-N 2 1 266.473 3.811 20 0 CHADMP c1ccc(CCCCC[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001222420462 1135239836 /nfs/dbraw/zinc/23/98/36/1135239836.db2.gz CYAZBKNCQYNVFJ-IBGZPJMESA-N 2 1 286.463 3.617 20 0 CHADMP c1ccc(CCCCC[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001222420462 1135239843 /nfs/dbraw/zinc/23/98/43/1135239843.db2.gz CYAZBKNCQYNVFJ-IBGZPJMESA-N 2 1 286.463 3.617 20 0 CHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc2occc2c1 ZINC000347848211 529931435 /nfs/dbraw/zinc/93/14/35/529931435.db2.gz AXECKKMANZHTGN-QGZVFWFLSA-N 2 1 286.419 3.739 20 0 CHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc2occc2c1 ZINC000347848211 529931436 /nfs/dbraw/zinc/93/14/36/529931436.db2.gz AXECKKMANZHTGN-QGZVFWFLSA-N 2 1 286.419 3.739 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc2occc2c1 ZINC000347848211 529931437 /nfs/dbraw/zinc/93/14/37/529931437.db2.gz AXECKKMANZHTGN-QGZVFWFLSA-N 2 1 286.419 3.739 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc2occc2c1 ZINC000347848211 529931439 /nfs/dbraw/zinc/93/14/39/529931439.db2.gz AXECKKMANZHTGN-QGZVFWFLSA-N 2 1 286.419 3.739 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000341759937 535002682 /nfs/dbraw/zinc/00/26/82/535002682.db2.gz WOUPGNDHDKZLGO-KRWDZBQOSA-N 2 1 278.415 3.523 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000221934128 262328442 /nfs/dbraw/zinc/32/84/42/262328442.db2.gz OKKDMGPFEUHTQZ-MAZHCROVSA-N 2 1 280.843 3.863 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000221934128 262328443 /nfs/dbraw/zinc/32/84/43/262328443.db2.gz OKKDMGPFEUHTQZ-MAZHCROVSA-N 2 1 280.843 3.863 20 0 CHADMP C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192934513 533618696 /nfs/dbraw/zinc/61/86/96/533618696.db2.gz JCFBJZKGPWRUQG-NZSAHSFTSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cc(F)ccc1F ZINC000020143378 171029367 /nfs/dbraw/zinc/02/93/67/171029367.db2.gz WVRJDYFQYWOVDU-LLVKDONJSA-N 2 1 296.405 3.925 20 0 CHADMP CC(C)CCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000020524044 171236862 /nfs/dbraw/zinc/23/68/62/171236862.db2.gz CFXVICORXPKFNK-ALOPSCKCSA-N 2 1 266.473 3.808 20 0 CHADMP CCC(CC)[C@@H](C[NH2+]C1CCC(C)CC1)[NH+](C)C ZINC000021519086 171314896 /nfs/dbraw/zinc/31/48/96/171314896.db2.gz DXHNIZHCAAXMNT-AVVWSFFYSA-N 2 1 254.462 3.521 20 0 CHADMP C[C@@H](C[NH2+]CC1([NH+](C)C)CCCCC1)c1ccccc1 ZINC000021520230 171315655 /nfs/dbraw/zinc/31/56/55/171315655.db2.gz GNGIQKGGDWEVLC-INIZCTEOSA-N 2 1 274.452 3.644 20 0 CHADMP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000037200871 260074145 /nfs/dbraw/zinc/07/41/45/260074145.db2.gz RLFPOSAVCUIWDQ-GOSISDBHSA-N 2 1 274.452 3.675 20 0 CHADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000347082524 226042201 /nfs/dbraw/zinc/04/22/01/226042201.db2.gz ZJCAGNBEDHTCBA-RYUDHWBXSA-N 2 1 292.810 3.645 20 0 CHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000347082524 226042205 /nfs/dbraw/zinc/04/22/05/226042205.db2.gz ZJCAGNBEDHTCBA-RYUDHWBXSA-N 2 1 292.810 3.645 20 0 CHADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000347082522 226042850 /nfs/dbraw/zinc/04/28/50/226042850.db2.gz ZJCAGNBEDHTCBA-NWDGAFQWSA-N 2 1 292.810 3.645 20 0 CHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000347082522 226042854 /nfs/dbraw/zinc/04/28/54/226042854.db2.gz ZJCAGNBEDHTCBA-NWDGAFQWSA-N 2 1 292.810 3.645 20 0 CHADMP c1cc2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)ccc2o1 ZINC000347862770 226386213 /nfs/dbraw/zinc/38/62/13/226386213.db2.gz VQUZVHLVFIUOLY-KRWDZBQOSA-N 2 1 298.430 3.741 20 0 CHADMP c1cc2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)ccc2o1 ZINC000347862770 226386214 /nfs/dbraw/zinc/38/62/14/226386214.db2.gz VQUZVHLVFIUOLY-KRWDZBQOSA-N 2 1 298.430 3.741 20 0 CHADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cc2ccccc2s1 ZINC000352546708 227051577 /nfs/dbraw/zinc/05/15/77/227051577.db2.gz ZHZUYUYTLCJEGC-CQSZACIVSA-N 2 1 274.433 3.605 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1CC(OC(C)(C)C)C1 ZINC000352566984 227069756 /nfs/dbraw/zinc/06/97/56/227069756.db2.gz HMHXUQZFXZJICL-KLAILNCOSA-N 2 1 296.499 3.577 20 0 CHADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)oc2C)CC1 ZINC000037150543 260071363 /nfs/dbraw/zinc/07/13/63/260071363.db2.gz RFPXEZVLRZGWFM-AWEZNQCLSA-N 2 1 278.440 3.812 20 0 CHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc(Cl)c2)CC1 ZINC000037786262 260118125 /nfs/dbraw/zinc/11/81/25/260118125.db2.gz SNMMVMMXJXTOFD-UHFFFAOYSA-N 2 1 280.843 3.693 20 0 CHADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169789 260152805 /nfs/dbraw/zinc/15/28/05/260152805.db2.gz WCMJQMZPEYFBNW-CJNGLKHVSA-N 2 1 280.843 3.852 20 0 CHADMP CCc1oc2ccccc2c1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000090720226 260261912 /nfs/dbraw/zinc/26/19/12/260261912.db2.gz VRCOAOYKZZFPEA-KGLIPLIRSA-N 2 1 286.419 3.568 20 0 CHADMP CCc1oc2ccccc2c1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000090720226 260261913 /nfs/dbraw/zinc/26/19/13/260261913.db2.gz VRCOAOYKZZFPEA-KGLIPLIRSA-N 2 1 286.419 3.568 20 0 CHADMP CC(C)C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000093977914 260340246 /nfs/dbraw/zinc/34/02/46/260340246.db2.gz IEDOGMLVVNUSIJ-QRVBRYPASA-N 2 1 286.463 3.990 20 0 CHADMP c1ccc2c(c1)CCC[C@H]2[N@@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000094021433 260342952 /nfs/dbraw/zinc/34/29/52/260342952.db2.gz OFWUPNXTYNBLDX-LJQANCHMSA-N 2 1 284.447 3.528 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C(C)(C)C)CC2)CC[N@@H+]1C ZINC000090721773 260392881 /nfs/dbraw/zinc/39/28/81/260392881.db2.gz GTMRSXWDQTUVKV-LMPOIIKSSA-N 2 1 266.473 3.664 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C(C)(C)C)CC2)CC[N@H+]1C ZINC000090721773 260392882 /nfs/dbraw/zinc/39/28/82/260392882.db2.gz GTMRSXWDQTUVKV-LMPOIIKSSA-N 2 1 266.473 3.664 20 0 CHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000092587850 260511834 /nfs/dbraw/zinc/51/18/34/260511834.db2.gz YBVXAGDSQHFZIW-MRXNPFEDSA-N 2 1 292.492 3.692 20 0 CHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000092587850 260511835 /nfs/dbraw/zinc/51/18/35/260511835.db2.gz YBVXAGDSQHFZIW-MRXNPFEDSA-N 2 1 292.492 3.692 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CCCC2)cc1 ZINC000151246126 260979533 /nfs/dbraw/zinc/97/95/33/260979533.db2.gz XQKIOWVDLYFAAB-ZDUSSCGKSA-N 2 1 269.392 3.774 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)s1 ZINC000152469525 261064405 /nfs/dbraw/zinc/06/44/05/261064405.db2.gz NEXNQJWPZAZJCI-YPMHNXCESA-N 2 1 298.883 3.927 20 0 CHADMP Cc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cs1 ZINC000449047087 261126222 /nfs/dbraw/zinc/12/62/22/261126222.db2.gz MVHHGDHDJXBHJR-NVXWUHKLSA-N 2 1 290.476 3.505 20 0 CHADMP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cs1 ZINC000449047087 261126224 /nfs/dbraw/zinc/12/62/24/261126224.db2.gz MVHHGDHDJXBHJR-NVXWUHKLSA-N 2 1 290.476 3.505 20 0 CHADMP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cs1 ZINC000449047087 261126225 /nfs/dbraw/zinc/12/62/25/261126225.db2.gz MVHHGDHDJXBHJR-NVXWUHKLSA-N 2 1 290.476 3.505 20 0 CHADMP Cc1cccc([C@H](C)[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000173692047 261167954 /nfs/dbraw/zinc/16/79/54/261167954.db2.gz YUIKUJOOBSWCLN-INIZCTEOSA-N 2 1 297.446 3.744 20 0 CHADMP CC1=C[C@H](C)C[C@H](C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000300161598 261178525 /nfs/dbraw/zinc/17/85/25/261178525.db2.gz SMZRZQFBJHWYGU-APXAPIIESA-N 2 1 276.468 3.584 20 0 CHADMP Cc1cc[nH+]c(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000301644192 261338891 /nfs/dbraw/zinc/33/88/91/261338891.db2.gz NBXXGZLKPPQEKJ-FUHWJXTLSA-N 2 1 295.430 3.713 20 0 CHADMP Cc1cc[nH+]c(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000301644192 261338894 /nfs/dbraw/zinc/33/88/94/261338894.db2.gz NBXXGZLKPPQEKJ-FUHWJXTLSA-N 2 1 295.430 3.713 20 0 CHADMP Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc[nH+]1 ZINC000302545942 261353856 /nfs/dbraw/zinc/35/38/56/261353856.db2.gz GXDZYMVGNYOAJX-QFBILLFUSA-N 2 1 295.430 3.855 20 0 CHADMP c1coc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000309964759 262060933 /nfs/dbraw/zinc/06/09/33/262060933.db2.gz KDTPLYWHAYRZMY-SFHVURJKSA-N 2 1 298.430 3.672 20 0 CHADMP c1coc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000309964759 262060936 /nfs/dbraw/zinc/06/09/36/262060936.db2.gz KDTPLYWHAYRZMY-SFHVURJKSA-N 2 1 298.430 3.672 20 0 CHADMP CCC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccnc1 ZINC000185940817 262072902 /nfs/dbraw/zinc/07/29/02/262072902.db2.gz ZHWZZOGJRYDUFU-KRWDZBQOSA-N 2 1 289.467 3.775 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000390530881 262209352 /nfs/dbraw/zinc/20/93/52/262209352.db2.gz DRGLFUIYVRUDOC-QAPCUYQASA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000390530881 262209353 /nfs/dbraw/zinc/20/93/53/262209353.db2.gz DRGLFUIYVRUDOC-QAPCUYQASA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000390530879 262209714 /nfs/dbraw/zinc/20/97/14/262209714.db2.gz DRGLFUIYVRUDOC-CRAIPNDOSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000390530879 262209716 /nfs/dbraw/zinc/20/97/16/262209716.db2.gz DRGLFUIYVRUDOC-CRAIPNDOSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cc2ccccc2o1 ZINC000020129141 262229877 /nfs/dbraw/zinc/22/98/77/262229877.db2.gz RDJTXMQDOZJOSA-CQSZACIVSA-N 2 1 272.392 3.569 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000311721004 262339848 /nfs/dbraw/zinc/33/98/48/262339848.db2.gz PCTVMWVKJLIYJS-WMLDXEAASA-N 2 1 260.425 3.555 20 0 CHADMP CCCC[NH+]1CCC([NH2+][C@@H]2CCCc3occc32)CC1 ZINC000122190526 262344929 /nfs/dbraw/zinc/34/49/29/262344929.db2.gz JKNDNGDRULMHES-MRXNPFEDSA-N 2 1 276.424 3.511 20 0 CHADMP CC(C)[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000414185557 262815489 /nfs/dbraw/zinc/81/54/89/262815489.db2.gz PAIVEMGVLBPHOD-AEFFLSMTSA-N 2 1 274.452 3.705 20 0 CHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2F)CC1 ZINC000414283736 262835594 /nfs/dbraw/zinc/83/55/94/262835594.db2.gz JQTSGZOQXNQPKT-DDBAPUKQSA-N 2 1 296.474 3.900 20 0 CHADMP C[C@H]1C[C@@H](C[N@@H+](Cc2ccccc2)C(C)(C)C)CC[NH2+]1 ZINC000414666613 263024926 /nfs/dbraw/zinc/02/49/26/263024926.db2.gz GJGYEVCEXMOIJZ-RDJZCZTQSA-N 2 1 274.452 3.675 20 0 CHADMP Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414669166 263027720 /nfs/dbraw/zinc/02/77/20/263027720.db2.gz BJVNMLNKGONDHC-NUJGCVRESA-N 2 1 272.436 3.520 20 0 CHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4)o3)C[C@@H]21 ZINC000414671225 263029540 /nfs/dbraw/zinc/02/95/40/263029540.db2.gz NLEQZFIRDKOCOD-BPQIPLTHSA-N 2 1 296.414 3.506 20 0 CHADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)CC[NH2+]1 ZINC000414682166 263031878 /nfs/dbraw/zinc/03/18/78/263031878.db2.gz XXZKLLCPSKAPIF-CKEIUWERSA-N 2 1 292.854 3.865 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@H+]2C[C@H]([NH3+])CC(C)C)s1 ZINC000414685986 263032345 /nfs/dbraw/zinc/03/23/45/263032345.db2.gz ADMRAPHIJKUZLQ-KGLIPLIRSA-N 2 1 266.454 3.567 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@@H+]2C[C@H]([NH3+])CC(C)C)s1 ZINC000414685986 263032346 /nfs/dbraw/zinc/03/23/46/263032346.db2.gz ADMRAPHIJKUZLQ-KGLIPLIRSA-N 2 1 266.454 3.567 20 0 CHADMP Cc1ccc([C@H]2CCC[N@H+]2C[C@@H]([NH3+])CC(C)C)s1 ZINC000414685987 263032387 /nfs/dbraw/zinc/03/23/87/263032387.db2.gz ADMRAPHIJKUZLQ-UONOGXRCSA-N 2 1 266.454 3.567 20 0 CHADMP Cc1ccc([C@H]2CCC[N@@H+]2C[C@@H]([NH3+])CC(C)C)s1 ZINC000414685987 263032388 /nfs/dbraw/zinc/03/23/88/263032388.db2.gz ADMRAPHIJKUZLQ-UONOGXRCSA-N 2 1 266.454 3.567 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000275039583 263032404 /nfs/dbraw/zinc/03/24/04/263032404.db2.gz XZVXSFWNGFHPLI-UHFFFAOYSA-N 2 1 295.789 3.554 20 0 CHADMP CCC[N@@H+](CCC[NH3+])[C@H](C)c1cc2ccccc2o1 ZINC000414687747 263032614 /nfs/dbraw/zinc/03/26/14/263032614.db2.gz HZGWKUVFSZGDCS-CYBMUJFWSA-N 2 1 260.381 3.555 20 0 CHADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2csc3ccccc23)CC[NH2+]1 ZINC000414691677 263032719 /nfs/dbraw/zinc/03/27/19/263032719.db2.gz AAKGQXSQSAYXSR-ZIAGYGMSSA-N 2 1 288.460 3.721 20 0 CHADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC000414703960 263033242 /nfs/dbraw/zinc/03/32/42/263033242.db2.gz VYMQHFBLXPYFGN-FMKPAKJESA-N 2 1 292.854 3.517 20 0 CHADMP Cc1cc2cc(C[N@H+](C)[C@@H]3CCC[NH2+]CC3)oc2cc1C ZINC000414759056 263039734 /nfs/dbraw/zinc/03/97/34/263039734.db2.gz ZLAUXPCNIARVDZ-MRXNPFEDSA-N 2 1 286.419 3.624 20 0 CHADMP c1ccc(C2CCC(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)CC2)cc1 ZINC000414777017 263044835 /nfs/dbraw/zinc/04/48/35/263044835.db2.gz XJMRWLKNDFGCQF-QUDVFMAMSA-N 2 1 298.474 3.644 20 0 CHADMP c1ccc(C2CCC(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)CC2)cc1 ZINC000414777017 263044836 /nfs/dbraw/zinc/04/48/36/263044836.db2.gz XJMRWLKNDFGCQF-QUDVFMAMSA-N 2 1 298.474 3.644 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414785703 263047126 /nfs/dbraw/zinc/04/71/26/263047126.db2.gz TUJUBJWXWPUYAF-HZPDHXFCSA-N 2 1 298.430 3.563 20 0 CHADMP C[C@H]([NH2+]Cc1c(Cl)oc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000414849632 263066002 /nfs/dbraw/zinc/06/60/02/263066002.db2.gz HKSXSDXUVSBWFP-RYUDHWBXSA-N 2 1 292.810 3.564 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)CCc1ccc(Cl)s1 ZINC000414855836 263072141 /nfs/dbraw/zinc/07/21/41/263072141.db2.gz XKSKRXWVPOXCDA-VXGBXAGGSA-N 2 1 288.888 3.686 20 0 CHADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000226541076 263103481 /nfs/dbraw/zinc/10/34/81/263103481.db2.gz JSSYKNNQGDSSRL-DZKIICNBSA-N 2 1 274.452 3.714 20 0 CHADMP Cc1ccccc1-c1cccc(C[NH2+]CC2([NH3+])CCC2)c1 ZINC000414894689 263103921 /nfs/dbraw/zinc/10/39/21/263103921.db2.gz ZWCYVXZRBHEVLC-UHFFFAOYSA-N 2 1 280.415 3.633 20 0 CHADMP Cc1ccc(-c2ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])s2)cc1 ZINC000415002020 263202256 /nfs/dbraw/zinc/20/22/56/263202256.db2.gz DEBRKLJLOOVIGJ-OLZOCXBDSA-N 2 1 274.433 3.549 20 0 CHADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415078910 263267977 /nfs/dbraw/zinc/26/79/77/263267977.db2.gz JGNQBLOHELGLLL-UBDQQSCGSA-N 2 1 272.436 3.648 20 0 CHADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415078902 263267993 /nfs/dbraw/zinc/26/79/93/263267993.db2.gz JGNQBLOHELGLLL-BGTYHANMSA-N 2 1 272.436 3.648 20 0 CHADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cccc(Cl)c1Cl ZINC000415092668 263272426 /nfs/dbraw/zinc/27/24/26/263272426.db2.gz UDKMTMIKSVUJHU-MNOVXSKESA-N 2 1 287.234 3.786 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000342864725 263533412 /nfs/dbraw/zinc/53/34/12/263533412.db2.gz POYVHYSGTVLUBH-KRWDZBQOSA-N 2 1 285.435 3.959 20 0 CHADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000070169367 264225322 /nfs/dbraw/zinc/22/53/22/264225322.db2.gz GKHBCORMBXZTEN-NSHDSACASA-N 2 1 287.234 3.554 20 0 CHADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000070169645 264225457 /nfs/dbraw/zinc/22/54/57/264225457.db2.gz ANHLIRNKRLZMRJ-NSHDSACASA-N 2 1 287.234 3.554 20 0 CHADMP CCSc1ccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000344295960 265056090 /nfs/dbraw/zinc/05/60/90/265056090.db2.gz LBDHJVWNTPLXLF-CQSZACIVSA-N 2 1 290.476 3.711 20 0 CHADMP C[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1)C[NH+]1CCCCC1 ZINC000094827104 265260053 /nfs/dbraw/zinc/26/00/53/265260053.db2.gz PYQZGNUPUOOCIY-KGLIPLIRSA-N 2 1 296.405 3.737 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(F)F)cc2)[C@@H]2CCC[C@@H]21 ZINC000367591927 267103176 /nfs/dbraw/zinc/10/31/76/267103176.db2.gz AHKYQSPZGAUVOT-JYJNAYRXSA-N 2 1 294.389 3.587 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@H]3CCCC34CCC4)C2)cc1 ZINC000394754621 328006642 /nfs/dbraw/zinc/00/66/42/328006642.db2.gz AHZDUZYSGFJUDY-OALUTQOASA-N 2 1 298.474 3.821 20 0 CHADMP CC[N@H+]1CC[C@@H](NCc2ccc(-c3ccccc3)o2)[C@@H](C)C1 ZINC000531683890 328020969 /nfs/dbraw/zinc/02/09/69/328020969.db2.gz SEJBQIMSLBZVEA-MAUKXSAKSA-N 2 1 298.430 3.767 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3)o2)[C@@H](C)C1 ZINC000531683890 328020971 /nfs/dbraw/zinc/02/09/71/328020971.db2.gz SEJBQIMSLBZVEA-MAUKXSAKSA-N 2 1 298.430 3.767 20 0 CHADMP CC[C@@H](C)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000531701201 328026001 /nfs/dbraw/zinc/02/60/01/328026001.db2.gz JONAZJGNJJZXOO-NVXWUHKLSA-N 2 1 288.479 3.984 20 0 CHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000401766744 328056772 /nfs/dbraw/zinc/05/67/72/328056772.db2.gz LXJHXHMUSODFAM-QZTJIDSGSA-N 2 1 289.467 3.691 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH+]cn2C)C[C@H](c2ccccc2)C1 ZINC000401786122 328061974 /nfs/dbraw/zinc/06/19/74/328061974.db2.gz UBSSYZUHXVHPNT-CGTJXYLNSA-N 2 1 297.446 3.525 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H](C)c2ccccc2)[C@H](C)C1 ZINC000268813010 328185978 /nfs/dbraw/zinc/18/59/78/328185978.db2.gz HPCAJZFYHGVDEK-JZXOWHBKSA-N 2 1 274.452 3.500 20 0 CHADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000414652032 328208321 /nfs/dbraw/zinc/20/83/21/328208321.db2.gz CWSQRQWRRIAWHF-QFHJOOASSA-N 2 1 286.463 3.556 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC000280853787 328236690 /nfs/dbraw/zinc/23/66/90/328236690.db2.gz BRCABFSKZYUCTJ-ODVANORSSA-N 2 1 292.854 3.658 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC000280853787 328236691 /nfs/dbraw/zinc/23/66/91/328236691.db2.gz BRCABFSKZYUCTJ-ODVANORSSA-N 2 1 292.854 3.658 20 0 CHADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000415011851 328298847 /nfs/dbraw/zinc/29/88/47/328298847.db2.gz IPBHRSGQBKFVJN-KGLIPLIRSA-N 2 1 286.444 3.663 20 0 CHADMP CC(C)[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000531957198 328339163 /nfs/dbraw/zinc/33/91/63/328339163.db2.gz FJUAIAFTVJVNJS-GDBMZVCRSA-N 2 1 266.473 3.521 20 0 CHADMP CC(C)[C@@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000531957198 328339164 /nfs/dbraw/zinc/33/91/64/328339164.db2.gz FJUAIAFTVJVNJS-GDBMZVCRSA-N 2 1 266.473 3.521 20 0 CHADMP C[N@@H+]1CCC[C@@H]1CC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000534754703 328361790 /nfs/dbraw/zinc/36/17/90/328361790.db2.gz FRODQMDOHHYJES-LJQANCHMSA-N 2 1 294.442 3.850 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000534754703 328361791 /nfs/dbraw/zinc/36/17/91/328361791.db2.gz FRODQMDOHHYJES-LJQANCHMSA-N 2 1 294.442 3.850 20 0 CHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000049554044 328371524 /nfs/dbraw/zinc/37/15/24/328371524.db2.gz HAHFRUQHGNZPEA-JSGCOSHPSA-N 2 1 274.408 3.732 20 0 CHADMP C[C@H]([NH2+]C[C@@H](C1CCCCC1)[NH+](C)C)C1CC(F)(F)C1 ZINC000529533718 328546945 /nfs/dbraw/zinc/54/69/45/328546945.db2.gz TVRNPHHALPOUPL-WFASDCNBSA-N 2 1 288.426 3.520 20 0 CHADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000530460192 326811997 /nfs/dbraw/zinc/81/19/97/326811997.db2.gz TXTYWSKTOPZIGU-MSOLQXFVSA-N 2 1 297.446 3.669 20 0 CHADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1C(C)(C)C ZINC000530513155 326823467 /nfs/dbraw/zinc/82/34/67/326823467.db2.gz LLMTXMDDZVNFPX-AWEZNQCLSA-N 2 1 285.435 3.611 20 0 CHADMP CCCC[C@@H](CCC)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000394143055 326856428 /nfs/dbraw/zinc/85/64/28/326856428.db2.gz XBYALIICSXKFAN-CQSZACIVSA-N 2 1 252.446 3.562 20 0 CHADMP C[NH2+]C1CC[NH+]([C@@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000261589122 327015361 /nfs/dbraw/zinc/01/53/61/327015361.db2.gz KLUPAHIOAANCJM-AWEZNQCLSA-N 2 1 260.425 3.555 20 0 CHADMP CC1=C[C@H](C)C[C@@H](C[NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000558490905 327098347 /nfs/dbraw/zinc/09/83/47/327098347.db2.gz LQDIVKOYWKIUFN-UAGQMJEPSA-N 2 1 276.468 3.585 20 0 CHADMP CC1=C[C@H](C)C[C@@H](C[NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000558490905 327098348 /nfs/dbraw/zinc/09/83/48/327098348.db2.gz LQDIVKOYWKIUFN-UAGQMJEPSA-N 2 1 276.468 3.585 20 0 CHADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000558499846 327098786 /nfs/dbraw/zinc/09/87/86/327098786.db2.gz BYIMFULDXBEMJG-KBPBESRZSA-N 2 1 298.421 3.604 20 0 CHADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000558499846 327098787 /nfs/dbraw/zinc/09/87/87/327098787.db2.gz BYIMFULDXBEMJG-KBPBESRZSA-N 2 1 298.421 3.604 20 0 CHADMP CC(C)SCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000558724384 327117407 /nfs/dbraw/zinc/11/74/07/327117407.db2.gz CVDYIAGMRXJXBJ-KRWDZBQOSA-N 2 1 298.540 3.716 20 0 CHADMP C[C@@H](CCc1ccco1)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000569349597 327146159 /nfs/dbraw/zinc/14/61/59/327146159.db2.gz TXINMKVKWRQJNB-HNNXBMFYSA-N 2 1 278.440 3.503 20 0 CHADMP C[C@H]1C[C@H](c2ccccc2)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000569351548 327157205 /nfs/dbraw/zinc/15/72/05/327157205.db2.gz HDOMEZQHHPYPKE-FUHWJXTLSA-N 2 1 297.446 3.621 20 0 CHADMP C[C@H]1C[C@H](c2ccccc2)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000569351548 327157207 /nfs/dbraw/zinc/15/72/07/327157207.db2.gz HDOMEZQHHPYPKE-FUHWJXTLSA-N 2 1 297.446 3.621 20 0 CHADMP C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000559312778 327158067 /nfs/dbraw/zinc/15/80/67/327158067.db2.gz SYBRWUQEOYBEDZ-KURKYZTESA-N 2 1 278.484 3.621 20 0 CHADMP C[C@@H]1CCC[C@H](CC[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)C1 ZINC000559312778 327158069 /nfs/dbraw/zinc/15/80/69/327158069.db2.gz SYBRWUQEOYBEDZ-KURKYZTESA-N 2 1 278.484 3.621 20 0 CHADMP C[C@@H]1CCC[C@H](CC[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000559312778 327158070 /nfs/dbraw/zinc/15/80/70/327158070.db2.gz SYBRWUQEOYBEDZ-KURKYZTESA-N 2 1 278.484 3.621 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCCC(C)(C)C)C[C@@H]1C ZINC000410397435 327191710 /nfs/dbraw/zinc/19/17/10/327191710.db2.gz ZZSKXPVOGJPHQM-GJZGRUSLSA-N 2 1 254.462 3.617 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CCN(C/C(C)=C\c2ccccc2)C1 ZINC000255024364 327250710 /nfs/dbraw/zinc/25/07/10/327250710.db2.gz MXBXWKDWBUVCKD-BLMOFCDVSA-N 2 1 286.463 3.754 20 0 CHADMP CCC[N@H+](C)C[C@H]1CC[NH+](C/C(C)=C\c2ccccc2)C1 ZINC000255024364 327250712 /nfs/dbraw/zinc/25/07/12/327250712.db2.gz MXBXWKDWBUVCKD-BLMOFCDVSA-N 2 1 286.463 3.754 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C/C(C)=C\c2ccccc2)C1 ZINC000255024364 327250714 /nfs/dbraw/zinc/25/07/14/327250714.db2.gz MXBXWKDWBUVCKD-BLMOFCDVSA-N 2 1 286.463 3.754 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](C/C(C)=C\c2ccccc2)C1 ZINC000255024364 327250715 /nfs/dbraw/zinc/25/07/15/327250715.db2.gz MXBXWKDWBUVCKD-BLMOFCDVSA-N 2 1 286.463 3.754 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C/C(C)=C\c2ccccc2)C1 ZINC000255024364 327250717 /nfs/dbraw/zinc/25/07/17/327250717.db2.gz MXBXWKDWBUVCKD-BLMOFCDVSA-N 2 1 286.463 3.754 20 0 CHADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc3ccccc32)C1 ZINC000559504528 327251386 /nfs/dbraw/zinc/25/13/86/327251386.db2.gz FOECVVVSBUZJJK-UYAOXDASSA-N 2 1 294.442 3.756 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(C)CCCC2)C[C@@H]1c1ccccc1 ZINC000559788073 327261380 /nfs/dbraw/zinc/26/13/80/327261380.db2.gz CKXITWXWKIROOA-QZTJIDSGSA-N 2 1 286.463 3.992 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CC2(C)CCCC2)C[C@@H]1c1ccccc1 ZINC000559788073 327261382 /nfs/dbraw/zinc/26/13/82/327261382.db2.gz CKXITWXWKIROOA-QZTJIDSGSA-N 2 1 286.463 3.992 20 0 CHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCCCCF)C2)CC1 ZINC000560158968 327287455 /nfs/dbraw/zinc/28/74/55/327287455.db2.gz DIHBHDUHRMFOGD-KRWDZBQOSA-N 2 1 284.463 3.570 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@@H](CC1CC1)c1ccccc1)C1CC1 ZINC000560348964 327301998 /nfs/dbraw/zinc/30/19/98/327301998.db2.gz GSVOLBKYSOTLTO-IBGZPJMESA-N 2 1 286.463 3.992 20 0 CHADMP CCCC[C@H](C)[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459772596 331299971 /nfs/dbraw/zinc/29/99/71/331299971.db2.gz IPNHXBOBKASZIM-ARFHVFGLSA-N 2 1 254.462 3.523 20 0 CHADMP CC(C)CC[C@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C1CC1 ZINC000386407723 327348373 /nfs/dbraw/zinc/34/83/73/327348373.db2.gz XNGNCDUMTVEOGL-ZBFHGGJFSA-N 2 1 254.462 3.520 20 0 CHADMP CC(C)CC[C@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C1CC1 ZINC000386407723 327348375 /nfs/dbraw/zinc/34/83/75/327348375.db2.gz XNGNCDUMTVEOGL-ZBFHGGJFSA-N 2 1 254.462 3.520 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H]2CCCC(C)(C)C2)C1 ZINC000583408937 327348967 /nfs/dbraw/zinc/34/89/67/327348967.db2.gz SYOAMYHDEZWDRB-HOTGVXAUSA-N 2 1 266.473 3.523 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CCCC(C)(C)C2)C1 ZINC000583408938 327348973 /nfs/dbraw/zinc/34/89/73/327348973.db2.gz SYOAMYHDEZWDRB-HZPDHXFCSA-N 2 1 266.473 3.523 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccccc1)C(C)C ZINC000125460111 327381371 /nfs/dbraw/zinc/38/13/71/327381371.db2.gz MRGRYPLBUFRPLY-UHFFFAOYSA-N 2 1 285.435 3.882 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccccc1)C(C)C ZINC000125460111 327381372 /nfs/dbraw/zinc/38/13/72/327381372.db2.gz MRGRYPLBUFRPLY-UHFFFAOYSA-N 2 1 285.435 3.882 20 0 CHADMP CC(C)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000561314205 327385047 /nfs/dbraw/zinc/38/50/47/327385047.db2.gz DIIWWBUTGHTPMT-XHSDSOJGSA-N 2 1 266.473 3.521 20 0 CHADMP CSc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)s1 ZINC000561405967 327393365 /nfs/dbraw/zinc/39/33/65/327393365.db2.gz PXZAEHUFJRBCJA-UHFFFAOYSA-N 2 1 298.521 3.823 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)c2ccccc21 ZINC000377564713 329019315 /nfs/dbraw/zinc/01/93/15/329019315.db2.gz QARCQKVLEZVHHH-YHRBYZFPSA-N 2 1 284.447 3.841 20 0 CHADMP C/C(=C\c1ccccc1)C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000377840542 329031570 /nfs/dbraw/zinc/03/15/70/329031570.db2.gz SRZNORCJZLTQSJ-JZUGBHPOSA-N 2 1 284.447 3.506 20 0 CHADMP C/C(=C\c1ccccc1)C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000377840542 329031571 /nfs/dbraw/zinc/03/15/71/329031571.db2.gz SRZNORCJZLTQSJ-JZUGBHPOSA-N 2 1 284.447 3.506 20 0 CHADMP C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000377840542 329031572 /nfs/dbraw/zinc/03/15/72/329031572.db2.gz SRZNORCJZLTQSJ-JZUGBHPOSA-N 2 1 284.447 3.506 20 0 CHADMP Cc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000583709257 329093334 /nfs/dbraw/zinc/09/33/34/329093334.db2.gz SNPMIYVZCOHQNF-BRWVUGGUSA-N 2 1 298.430 3.704 20 0 CHADMP Cc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(C)s1 ZINC000173872160 329153064 /nfs/dbraw/zinc/15/30/64/329153064.db2.gz BASLJYSBXAJQCA-MRXNPFEDSA-N 2 1 292.492 3.673 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1cccs1 ZINC000178700330 329202387 /nfs/dbraw/zinc/20/23/87/329202387.db2.gz HRRQJSACFJFXGR-TZMCWYRMSA-N 2 1 277.437 3.630 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(C)s1 ZINC000178696927 329202517 /nfs/dbraw/zinc/20/25/17/329202517.db2.gz GGEUKWMXJFDFBV-AAEUAGOBSA-N 2 1 291.464 3.857 20 0 CHADMP Cc1ccc(C)c([C@@H]2CCC[N@H+]2CCCc2c[nH+]cn2C)c1 ZINC000521455535 329205247 /nfs/dbraw/zinc/20/52/47/329205247.db2.gz HTXOFNNPMKPLBP-IBGZPJMESA-N 2 1 297.446 3.807 20 0 CHADMP Cc1ccc(C)c([C@@H]2CCC[N@@H+]2CCCc2c[nH+]cn2C)c1 ZINC000521455535 329205248 /nfs/dbraw/zinc/20/52/48/329205248.db2.gz HTXOFNNPMKPLBP-IBGZPJMESA-N 2 1 297.446 3.807 20 0 CHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccsc1 ZINC000224387256 329243387 /nfs/dbraw/zinc/24/33/87/329243387.db2.gz NPKIEIFBPNMDPY-UONOGXRCSA-N 2 1 266.454 3.663 20 0 CHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccsc1 ZINC000224387256 329243389 /nfs/dbraw/zinc/24/33/89/329243389.db2.gz NPKIEIFBPNMDPY-UONOGXRCSA-N 2 1 266.454 3.663 20 0 CHADMP CCc1ccc(CN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000183101743 329244869 /nfs/dbraw/zinc/24/48/69/329244869.db2.gz WBXOAAGUMXRAGG-CABCVRRESA-N 2 1 290.451 3.585 20 0 CHADMP CCc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000183101743 329244870 /nfs/dbraw/zinc/24/48/70/329244870.db2.gz WBXOAAGUMXRAGG-CABCVRRESA-N 2 1 290.451 3.585 20 0 CHADMP CCc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000183101743 329244872 /nfs/dbraw/zinc/24/48/72/329244872.db2.gz WBXOAAGUMXRAGG-CABCVRRESA-N 2 1 290.451 3.585 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000183185181 329245486 /nfs/dbraw/zinc/24/54/86/329245486.db2.gz PJCPGKAVYNRHDI-ARFHVFGLSA-N 2 1 290.451 3.892 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000183185181 329245488 /nfs/dbraw/zinc/24/54/88/329245488.db2.gz PJCPGKAVYNRHDI-ARFHVFGLSA-N 2 1 290.451 3.892 20 0 CHADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(C(F)F)cc1 ZINC000183951883 329254973 /nfs/dbraw/zinc/25/49/73/329254973.db2.gz BMGBMAXDTLHDHA-INIZCTEOSA-N 2 1 296.405 3.930 20 0 CHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C(F)F)cc1 ZINC000183951883 329254974 /nfs/dbraw/zinc/25/49/74/329254974.db2.gz BMGBMAXDTLHDHA-INIZCTEOSA-N 2 1 296.405 3.930 20 0 CHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C(F)F)cc1 ZINC000183951883 329254975 /nfs/dbraw/zinc/25/49/75/329254975.db2.gz BMGBMAXDTLHDHA-INIZCTEOSA-N 2 1 296.405 3.930 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(C(F)F)cc1 ZINC000183951883 329254976 /nfs/dbraw/zinc/25/49/76/329254976.db2.gz BMGBMAXDTLHDHA-INIZCTEOSA-N 2 1 296.405 3.930 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(C(F)F)cc1 ZINC000183951883 329254977 /nfs/dbraw/zinc/25/49/77/329254977.db2.gz BMGBMAXDTLHDHA-INIZCTEOSA-N 2 1 296.405 3.930 20 0 CHADMP C(C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)CC1CCCCC1 ZINC000395150359 329281510 /nfs/dbraw/zinc/28/15/10/329281510.db2.gz HXWPDUMULYOMOL-DLBZAZTESA-N 2 1 264.457 3.563 20 0 CHADMP CCC[C@H]1CCC[N@@H+](CCCc2cnccc2C)C1 ZINC000582991591 329294350 /nfs/dbraw/zinc/29/43/50/329294350.db2.gz WVTCQEWUKLHSSL-INIZCTEOSA-N 2 1 260.425 3.835 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000583034583 329305889 /nfs/dbraw/zinc/30/58/89/329305889.db2.gz IUHPFSKWXMEHIO-HNNXBMFYSA-N 2 1 263.429 3.530 20 0 CHADMP CCSc1cccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000186187404 329338981 /nfs/dbraw/zinc/33/89/81/329338981.db2.gz HQUDERBZXWRRKO-MRXNPFEDSA-N 2 1 292.492 3.572 20 0 CHADMP CCSc1cccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000186187404 329338982 /nfs/dbraw/zinc/33/89/82/329338982.db2.gz HQUDERBZXWRRKO-MRXNPFEDSA-N 2 1 292.492 3.572 20 0 CHADMP CCSc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)c1 ZINC000186252194 329340179 /nfs/dbraw/zinc/34/01/79/329340179.db2.gz CCQNLMOKEAVWOD-INIZCTEOSA-N 2 1 292.492 3.572 20 0 CHADMP CCSc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)c1 ZINC000186252194 329340181 /nfs/dbraw/zinc/34/01/81/329340181.db2.gz CCQNLMOKEAVWOD-INIZCTEOSA-N 2 1 292.492 3.572 20 0 CHADMP CCSc1cccc(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)c1 ZINC000186252194 329340182 /nfs/dbraw/zinc/34/01/82/329340182.db2.gz CCQNLMOKEAVWOD-INIZCTEOSA-N 2 1 292.492 3.572 20 0 CHADMP CCSc1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)c1 ZINC000186252194 329340184 /nfs/dbraw/zinc/34/01/84/329340184.db2.gz CCQNLMOKEAVWOD-INIZCTEOSA-N 2 1 292.492 3.572 20 0 CHADMP C[N@@H+](Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231463048 329377656 /nfs/dbraw/zinc/37/76/56/329377656.db2.gz VKZQAVBBYJJXGP-GFCCVEGCSA-N 2 1 287.234 3.567 20 0 CHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3(CF)CCC3)CC2)C1 ZINC000583872744 329523184 /nfs/dbraw/zinc/52/31/84/329523184.db2.gz AVPYZLPBAYDBNY-GDBMZVCRSA-N 2 1 282.447 3.511 20 0 CHADMP c1ccc2cc(C[NH+]3CCC([NH2+]CC4CC4)CC3)ccc2c1 ZINC000262329933 329602470 /nfs/dbraw/zinc/60/24/70/329602470.db2.gz SJDSFGWNODGHBL-UHFFFAOYSA-N 2 1 294.442 3.804 20 0 CHADMP Cc1ccc([C@H]2CCC[C@@H]2[N@@H+](C)CC2CC[NH2+]CC2)cc1 ZINC000262114321 330000067 /nfs/dbraw/zinc/00/00/67/330000067.db2.gz BIQXUESNZIBREX-MOPGFXCFSA-N 2 1 286.463 3.563 20 0 CHADMP COC1([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)CCCC1 ZINC000421821046 330086682 /nfs/dbraw/zinc/08/66/82/330086682.db2.gz PDNREYPFXIXNKF-IAGOWNOFSA-N 2 1 296.499 3.578 20 0 CHADMP CCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379659432 330146274 /nfs/dbraw/zinc/14/62/74/330146274.db2.gz ZZLJNNMIFNMXRE-AEFFLSMTSA-N 2 1 274.452 3.819 20 0 CHADMP CCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379659432 330146275 /nfs/dbraw/zinc/14/62/75/330146275.db2.gz ZZLJNNMIFNMXRE-AEFFLSMTSA-N 2 1 274.452 3.819 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000379642886 330146385 /nfs/dbraw/zinc/14/63/85/330146385.db2.gz ANBHURLIYZGLAU-NVXWUHKLSA-N 2 1 274.452 3.675 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000379642886 330146386 /nfs/dbraw/zinc/14/63/86/330146386.db2.gz ANBHURLIYZGLAU-NVXWUHKLSA-N 2 1 274.452 3.675 20 0 CHADMP c1ccc(CCC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000422730305 330152358 /nfs/dbraw/zinc/15/23/58/330152358.db2.gz JNYUFYQISXPUQP-PMACEKPBSA-N 2 1 294.442 3.702 20 0 CHADMP Cc1cc(C)c(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c(C)c1 ZINC000422784036 330154852 /nfs/dbraw/zinc/15/48/52/330154852.db2.gz PCNWCMGTTPFURV-RBUKOAKNSA-N 2 1 280.415 3.846 20 0 CHADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000422992710 330163289 /nfs/dbraw/zinc/16/32/89/330163289.db2.gz QDRNTEMFWYIBLX-WPRPVWTQSA-N 2 1 293.263 3.533 20 0 CHADMP FC1(F)CCC[C@H]([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422995881 330163444 /nfs/dbraw/zinc/16/34/44/330163444.db2.gz ZRMSKZCPPMXVQW-JYJNAYRXSA-N 2 1 294.389 3.647 20 0 CHADMP Cc1c(C)c(C)c(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c(C)c1C ZINC000422997332 330163532 /nfs/dbraw/zinc/16/35/32/330163532.db2.gz NOZDLGOEOCOIOR-INIZCTEOSA-N 2 1 297.446 3.887 20 0 CHADMP CC(C)C[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422999948 330163725 /nfs/dbraw/zinc/16/37/25/330163725.db2.gz GCRMQWBPXHXRII-UAGQMJEPSA-N 2 1 260.425 3.504 20 0 CHADMP CC1(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCCC1 ZINC000422952057 330164009 /nfs/dbraw/zinc/16/40/09/330164009.db2.gz BLTMJTPPCCAALJ-DLBZAZTESA-N 2 1 272.436 3.650 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[C@@H](C)c2ccccc21)c1c[nH+]ccc1N ZINC000423007691 330165145 /nfs/dbraw/zinc/16/51/45/330165145.db2.gz YIOAIGGJQXJSRJ-VBHSOAQHSA-N 2 1 281.403 3.783 20 0 CHADMP CC(C)Oc1ccc2ccccc2c1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000423049285 330166989 /nfs/dbraw/zinc/16/69/89/330166989.db2.gz JUPQPWITNYGPBI-ZWKOTPCHSA-N 2 1 298.430 3.596 20 0 CHADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(C(F)F)cc2)c2ccccc21 ZINC000423047933 330167067 /nfs/dbraw/zinc/16/70/67/330167067.db2.gz HTUZAOQNOZKZJS-HOTGVXAUSA-N 2 1 288.341 3.859 20 0 CHADMP C[C@H]([NH2+]CC(C)(C)C1=CCCCC1)c1c[nH+]ccc1N ZINC000423046390 330167148 /nfs/dbraw/zinc/16/71/48/330167148.db2.gz DMMNHMDICIUBQX-ZDUSSCGKSA-N 2 1 273.424 3.671 20 0 CHADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)c2ccccc21 ZINC000423047935 330167203 /nfs/dbraw/zinc/16/72/03/330167203.db2.gz HTUZAOQNOZKZJS-JKSUJKDBSA-N 2 1 288.341 3.859 20 0 CHADMP Cc1oc2ccccc2c1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423053500 330167422 /nfs/dbraw/zinc/16/74/22/330167422.db2.gz SQECHCWDUJQROF-ZWKOTPCHSA-N 2 1 292.382 3.976 20 0 CHADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000423064590 330167977 /nfs/dbraw/zinc/16/79/77/330167977.db2.gz RWJDWPSLCCRZOV-OPRDCNLKSA-N 2 1 275.223 3.770 20 0 CHADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000423064588 330168012 /nfs/dbraw/zinc/16/80/12/330168012.db2.gz RWJDWPSLCCRZOV-BBBLOLIVSA-N 2 1 275.223 3.770 20 0 CHADMP C[C@H](CC[NH2+][C@@H](C)c1c[nH+]ccc1N)CC(C)(C)C ZINC000423063366 330168084 /nfs/dbraw/zinc/16/80/84/330168084.db2.gz WFMRJRZZTKNNSL-OLZOCXBDSA-N 2 1 263.429 3.607 20 0 CHADMP CCCNc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000423078383 330168453 /nfs/dbraw/zinc/16/84/53/330168453.db2.gz VXOVLLAHBJAAAG-RTBURBONSA-N 2 1 295.430 3.743 20 0 CHADMP CSc1ccccc1[C@@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000423174506 330174766 /nfs/dbraw/zinc/17/47/66/330174766.db2.gz AWOWBARUXNABDQ-CYBMUJFWSA-N 2 1 278.465 3.721 20 0 CHADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(OC(F)F)cc1 ZINC000423177642 330175057 /nfs/dbraw/zinc/17/50/57/330175057.db2.gz JGPMVRHNWIODSO-GFCCVEGCSA-N 2 1 298.377 3.600 20 0 CHADMP C[C@@H]([NH2+]CC[NH3+])c1ccc(-c2ccc(Cl)cc2F)s1 ZINC000423176731 330175149 /nfs/dbraw/zinc/17/51/49/330175149.db2.gz CWNLARNHCKUNAJ-SECBINFHSA-N 2 1 298.814 3.817 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)cc1C ZINC000423181434 330175332 /nfs/dbraw/zinc/17/53/32/330175332.db2.gz CTFYDLREPAJZSI-QGZVFWFLSA-N 2 1 297.446 3.529 20 0 CHADMP CC(C)(C)[C@H]([NH2+]C1CC[NH2+]CC1)c1cc2ccccc2o1 ZINC000423193803 330175944 /nfs/dbraw/zinc/17/59/44/330175944.db2.gz XBQBCRCFEIFGCQ-QGZVFWFLSA-N 2 1 286.419 3.862 20 0 CHADMP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423193964 330176219 /nfs/dbraw/zinc/17/62/19/330176219.db2.gz REGPZJDRQAWFDE-LSDHHAIUSA-N 2 1 299.462 3.566 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1Cl ZINC000423215080 330178261 /nfs/dbraw/zinc/17/82/61/330178261.db2.gz QDTUIMFXTXONSJ-GHMZBOCLSA-N 2 1 287.234 3.644 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(Cl)ccc1Cl ZINC000423215082 330178438 /nfs/dbraw/zinc/17/84/38/330178438.db2.gz QDTUIMFXTXONSJ-QWRGUYRKSA-N 2 1 287.234 3.644 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H](C)c2ccsc21 ZINC000423260432 330183617 /nfs/dbraw/zinc/18/36/17/330183617.db2.gz HLMHESUVETZUAM-OUCADQQQSA-N 2 1 266.454 3.650 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423259989 330183811 /nfs/dbraw/zinc/18/38/11/330183811.db2.gz GJISUAGYCSALHV-HNAYVOBHSA-N 2 1 297.446 3.773 20 0 CHADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(F)c(F)c1 ZINC000423266789 330184084 /nfs/dbraw/zinc/18/40/84/330184084.db2.gz SDLLHDSDMHPVNT-BZNIZROVSA-N 2 1 282.378 3.523 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423272889 330184794 /nfs/dbraw/zinc/18/47/94/330184794.db2.gz ZPKOXAXQYXQFAS-SMDDNHRTSA-N 2 1 288.357 3.729 20 0 CHADMP CCC[C@H]([NH2+]CC(C)(C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423282600 330185706 /nfs/dbraw/zinc/18/57/06/330185706.db2.gz CVKVHGKLRJQUCX-ZDUSSCGKSA-N 2 1 288.357 3.874 20 0 CHADMP CC[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000423286450 330185999 /nfs/dbraw/zinc/18/59/99/330185999.db2.gz HJJFEMNNNHVQJP-GFCCVEGCSA-N 2 1 275.223 3.771 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000423287293 330186210 /nfs/dbraw/zinc/18/62/10/330186210.db2.gz LGRMKFJHBNVJMI-LLVKDONJSA-N 2 1 254.805 3.508 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(SC)c(F)c1 ZINC000423297360 330188615 /nfs/dbraw/zinc/18/86/15/330188615.db2.gz JXVYZNVRFCBJBL-WCQYABFASA-N 2 1 284.444 3.716 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000423297058 330188682 /nfs/dbraw/zinc/18/86/82/330188682.db2.gz IOHBFJZWNZAIFX-GXTWGEPZSA-N 2 1 266.454 3.577 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000423299711 330188956 /nfs/dbraw/zinc/18/89/56/330188956.db2.gz QLZPMQXBRWDQON-BRWVUGGUSA-N 2 1 289.467 3.523 20 0 CHADMP [NH3+][C@H](C[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1)C1CC1 ZINC000423313547 330189804 /nfs/dbraw/zinc/18/98/04/330189804.db2.gz FULRGNUZMGMNSP-HZPDHXFCSA-N 2 1 278.827 3.508 20 0 CHADMP Cc1cccc(COc2ccc([C@H](C)[NH2+][C@H](C)C[NH3+])cc2)c1 ZINC000423320393 330190300 /nfs/dbraw/zinc/19/03/00/330190300.db2.gz GIZZKDJPFYXVIC-CVEARBPZSA-N 2 1 298.430 3.572 20 0 CHADMP CC(C)Oc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCC2)cc1Cl ZINC000423327955 330190927 /nfs/dbraw/zinc/19/09/27/330190927.db2.gz NKQIMGPSOGAEQY-GFCCVEGCSA-N 2 1 296.842 3.659 20 0 CHADMP CC(C)(C)[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc2ccccc2o1 ZINC000423331797 330191118 /nfs/dbraw/zinc/19/11/18/330191118.db2.gz UWUMPVVFBSVTPJ-PBHICJAKSA-N 2 1 286.419 3.847 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(-c2ccccc2)c1 ZINC000423329655 330191139 /nfs/dbraw/zinc/19/11/39/330191139.db2.gz TVXKNCLCSNHFHP-AUUYWEPGSA-N 2 1 280.415 3.742 20 0 CHADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc(-c2ccccc2)c1 ZINC000423330083 330191191 /nfs/dbraw/zinc/19/11/91/330191191.db2.gz TVXKNCLCSNHFHP-LIRRHRJNSA-N 2 1 280.415 3.742 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(-c2ccccc2)o1 ZINC000423365352 330194761 /nfs/dbraw/zinc/19/47/61/330194761.db2.gz BOBHCNNXDVIPEZ-IJEWVQPXSA-N 2 1 284.403 3.738 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCSc3c(Cl)cccc32)CC[NH2+]1 ZINC000423370619 330194918 /nfs/dbraw/zinc/19/49/18/330194918.db2.gz GZNCKHMAXZWVEF-UHIISALHSA-N 2 1 296.867 3.607 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cccc(Cl)c1Cl ZINC000423396358 330195522 /nfs/dbraw/zinc/19/55/22/330195522.db2.gz NSNAMEAENOPDRO-OUJBWJOFSA-N 2 1 287.234 3.642 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2F)C2CCCC2)CC[NH2+]1 ZINC000423373296 330195634 /nfs/dbraw/zinc/19/56/34/330195634.db2.gz JCOYNKNYANSZLN-XUWXXGDYSA-N 2 1 290.426 3.787 20 0 CHADMP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000423376221 330198564 /nfs/dbraw/zinc/19/85/64/330198564.db2.gz KXDQXWPOIUGOOJ-IHRRRGAJSA-N 2 1 286.419 3.786 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cc2cc(Cl)ccc2o1 ZINC000423391312 330200285 /nfs/dbraw/zinc/20/02/85/330200285.db2.gz KTTXSDGJVUHMIG-SUNKGSAMSA-N 2 1 292.810 3.735 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc2cc(Cl)ccc2o1 ZINC000423395304 330200638 /nfs/dbraw/zinc/20/06/38/330200638.db2.gz SNYDAGGUAJZJMN-JTNHKYCSSA-N 2 1 292.810 3.877 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C(c2ccccc2)c2ccccc2)CC[NH2+]1 ZINC000423395378 330201028 /nfs/dbraw/zinc/20/10/28/330201028.db2.gz SRHZQSVBSRVQCV-YJBOKZPZSA-N 2 1 280.415 3.506 20 0 CHADMP C[C@@H]([NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1)[C@H](C)[NH3+] ZINC000423437089 330201369 /nfs/dbraw/zinc/20/13/69/330201369.db2.gz FWELDSOYEOEGOY-QIBSRJKCSA-N 2 1 287.234 3.770 20 0 CHADMP CC(C)Sc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000423447412 330202394 /nfs/dbraw/zinc/20/23/94/330202394.db2.gz OXNKEEAASZKYHD-AVGNSLFASA-N 2 1 266.454 3.573 20 0 CHADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000423457411 330203571 /nfs/dbraw/zinc/20/35/71/330203571.db2.gz FOUGXRRVDJRTPM-WCQYABFASA-N 2 1 284.856 3.594 20 0 CHADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-c2ccccc2)s1 ZINC000423456975 330203593 /nfs/dbraw/zinc/20/35/93/330203593.db2.gz FCHYRJGZBTVZBH-GXTWGEPZSA-N 2 1 274.433 3.803 20 0 CHADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000423461081 330203996 /nfs/dbraw/zinc/20/39/96/330203996.db2.gz JHQSEJHIKBIDFD-BXUZGUMPSA-N 2 1 289.448 3.506 20 0 CHADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000423469353 330205065 /nfs/dbraw/zinc/20/50/65/330205065.db2.gz OUVJNAVMNILBTR-YPMHNXCESA-N 2 1 284.831 3.515 20 0 CHADMP CCC[C@H]([NH2+]C[C@@H]([NH3+])CC)c1ccc(Cl)cc1 ZINC000423486001 330206751 /nfs/dbraw/zinc/20/67/51/330206751.db2.gz ZJBMOBAWOMNXRT-KBPBESRZSA-N 2 1 254.805 3.508 20 0 CHADMP C[C@H]1C[C@@H]([NH2+][C@H](C[NH3+])C2CCCC2)c2ccsc2S1 ZINC000423517069 330209725 /nfs/dbraw/zinc/20/97/25/330209725.db2.gz YNCYCYIGMRHGPM-ZLKJLUDKSA-N 2 1 296.505 3.781 20 0 CHADMP CCSc1ccccc1[C@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000423527654 330210233 /nfs/dbraw/zinc/21/02/33/330210233.db2.gz NAHMVVYGIDBVPB-ZDUSSCGKSA-N 2 1 278.465 3.591 20 0 CHADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(Cl)cc1 ZINC000423535289 330210575 /nfs/dbraw/zinc/21/05/75/330210575.db2.gz XHEHSINUNKLOIU-ABAIWWIYSA-N 2 1 266.816 3.508 20 0 CHADMP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000423536620 330212728 /nfs/dbraw/zinc/21/27/28/330212728.db2.gz ZUAKRQRGXBYIGY-KSSFIOAISA-N 2 1 290.451 3.642 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000527683797 330271222 /nfs/dbraw/zinc/27/12/22/330271222.db2.gz VXGZVLVYKSGIEL-KRWDZBQOSA-N 2 1 299.462 3.626 20 0 CHADMP CC[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000527763935 330281619 /nfs/dbraw/zinc/28/16/19/330281619.db2.gz NEKCUBAMPQZCCM-CEXWTWQISA-N 2 1 286.463 3.614 20 0 CHADMP Cc1cccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C(C)C)c1 ZINC000527810208 330284736 /nfs/dbraw/zinc/28/47/36/330284736.db2.gz OVVYPMPEYRFMJV-GUDVDZBRSA-N 2 1 286.463 3.909 20 0 CHADMP Cc1cccc([C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C(C)C)c1 ZINC000527861674 330285065 /nfs/dbraw/zinc/28/50/65/330285065.db2.gz MTCMYRQQJOYDFG-SJLPKXTDSA-N 2 1 274.452 3.624 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC[N@@H+]1C ZINC000527869335 330285946 /nfs/dbraw/zinc/28/59/46/330285946.db2.gz QMHUPKLLQWQMDX-XAGWURHQSA-N 2 1 296.817 3.539 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC[N@H+]1C ZINC000527869335 330285947 /nfs/dbraw/zinc/28/59/47/330285947.db2.gz QMHUPKLLQWQMDX-XAGWURHQSA-N 2 1 296.817 3.539 20 0 CHADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1cc(C)ccc1C ZINC000527851587 330288334 /nfs/dbraw/zinc/28/83/34/330288334.db2.gz ABRGYJBMLGHBSI-QGZVFWFLSA-N 2 1 271.408 3.549 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC)CCc2ccccc2)C1 ZINC000527855325 330288854 /nfs/dbraw/zinc/28/88/54/330288854.db2.gz WAYUZHBNFUUNNI-OALUTQOASA-N 2 1 288.479 3.719 20 0 CHADMP C[NH+](C)[C@@H]1CCC[C@@H](Nc2[nH+]ccc3ccccc32)C1 ZINC000527917660 330295421 /nfs/dbraw/zinc/29/54/21/330295421.db2.gz YBHYNEOAEVBRRY-HUUCEWRRSA-N 2 1 269.392 3.520 20 0 CHADMP C[NH+](C)[C@@H]1CCC[C@H](Nc2[nH+]ccc3ccccc32)C1 ZINC000527917664 330295423 /nfs/dbraw/zinc/29/54/23/330295423.db2.gz YBHYNEOAEVBRRY-LSDHHAIUSA-N 2 1 269.392 3.520 20 0 CHADMP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000527987651 330298900 /nfs/dbraw/zinc/29/89/00/330298900.db2.gz UPUACNGFXIFEFE-BFHYXJOUSA-N 2 1 288.426 3.520 20 0 CHADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2c(C)cc(C)cc2C)C1 ZINC000533011142 330324148 /nfs/dbraw/zinc/32/41/48/330324148.db2.gz TWAFCQHHZPFREM-QZTJIDSGSA-N 2 1 288.479 3.946 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2c(C)cc(C)cc2C)C1 ZINC000533011142 330324149 /nfs/dbraw/zinc/32/41/49/330324149.db2.gz TWAFCQHHZPFREM-QZTJIDSGSA-N 2 1 288.479 3.946 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2c(C)cc(C)cc2C)C1 ZINC000533011142 330324150 /nfs/dbraw/zinc/32/41/50/330324150.db2.gz TWAFCQHHZPFREM-QZTJIDSGSA-N 2 1 288.479 3.946 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCCC2 ZINC000044534233 330329823 /nfs/dbraw/zinc/32/98/23/330329823.db2.gz FBYWFVDSHKSONJ-JKSUJKDBSA-N 2 1 286.463 3.558 20 0 CHADMP CCc1ccc([C@@H](CC)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044533993 330329878 /nfs/dbraw/zinc/32/98/78/330329878.db2.gz UYFCMRFGFKIMFL-SJLPKXTDSA-N 2 1 274.452 3.632 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(C(C)(C)C)cc1 ZINC000044534628 330329957 /nfs/dbraw/zinc/32/99/57/330329957.db2.gz BXEKIBGWIVEABJ-HZPDHXFCSA-N 2 1 288.479 3.977 20 0 CHADMP C1CC([C@@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C2CCCCC2)C1 ZINC000424273273 330333267 /nfs/dbraw/zinc/33/32/67/330333267.db2.gz WGACJLHUNYJCMQ-OTWHNJEPSA-N 2 1 290.495 3.952 20 0 CHADMP C([NH2+][C@@H](C1CCC1)C1CCCCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000424272735 330333331 /nfs/dbraw/zinc/33/33/31/330333331.db2.gz UXSKAJVEQSSZGP-DNVCBOLYSA-N 2 1 290.495 3.809 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C[C@@H]1c1ccccc1 ZINC000424287732 330334218 /nfs/dbraw/zinc/33/42/18/330334218.db2.gz HWLIOQIQXBERHF-LWYYNNOASA-N 2 1 298.474 3.848 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C[C@@H]1c1ccccc1 ZINC000424287732 330334219 /nfs/dbraw/zinc/33/42/19/330334219.db2.gz HWLIOQIQXBERHF-LWYYNNOASA-N 2 1 298.474 3.848 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CCC2)C2CCCCC2)CC[N@@H+]1C ZINC000424319788 330340062 /nfs/dbraw/zinc/34/00/62/330340062.db2.gz SILAEQVBEBUXCX-ZTFGCOKTSA-N 2 1 278.484 3.808 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CCC2)C2CCCCC2)CC[N@H+]1C ZINC000424319788 330340063 /nfs/dbraw/zinc/34/00/63/330340063.db2.gz SILAEQVBEBUXCX-ZTFGCOKTSA-N 2 1 278.484 3.808 20 0 CHADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000424373637 330348253 /nfs/dbraw/zinc/34/82/53/330348253.db2.gz JXAPLWDCLDKFCL-HZSPNIEDSA-N 2 1 296.867 3.736 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000212782889 330367456 /nfs/dbraw/zinc/36/74/56/330367456.db2.gz IZTJTOAHYNTHGR-LLVKDONJSA-N 2 1 284.806 3.614 20 0 CHADMP Cc1ccoc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000086279133 330369112 /nfs/dbraw/zinc/36/91/12/330369112.db2.gz CTSAYQXPPAWAKG-CQSZACIVSA-N 2 1 295.386 3.933 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCCC[C@@H]1c1ccco1 ZINC000089428362 330385104 /nfs/dbraw/zinc/38/51/04/330385104.db2.gz QUMVBXPBAPPYAS-JKSUJKDBSA-N 2 1 276.424 3.681 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000089428362 330385105 /nfs/dbraw/zinc/38/51/05/330385105.db2.gz QUMVBXPBAPPYAS-JKSUJKDBSA-N 2 1 276.424 3.681 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000089428362 330385106 /nfs/dbraw/zinc/38/51/06/330385106.db2.gz QUMVBXPBAPPYAS-JKSUJKDBSA-N 2 1 276.424 3.681 20 0 CHADMP C[NH+]1CCC([NH2+]C[C@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000449691977 330943955 /nfs/dbraw/zinc/94/39/55/330943955.db2.gz ZHXAHCBAQXROEA-IEBWSBKVSA-N 2 1 286.463 3.644 20 0 CHADMP C(=C/c1ccccc1)\CC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000450265258 330969405 /nfs/dbraw/zinc/96/94/05/330969405.db2.gz IZDZBAIZOJYROP-ONNFQVAWSA-N 2 1 284.447 3.650 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC/C=C/c2ccccc2)CC1 ZINC000450853326 331003015 /nfs/dbraw/zinc/00/30/15/331003015.db2.gz HKXRDUDUPGMSON-PMQIGOLDSA-N 2 1 272.436 3.506 20 0 CHADMP CC(C)C[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000450871556 331004015 /nfs/dbraw/zinc/00/40/15/331004015.db2.gz AEXZJANCVQCIHA-OAHLLOKOSA-N 2 1 289.467 3.833 20 0 CHADMP C[N@H+]1CCC[C@]2(CC[NH+](CC/C=C/c3ccccc3)C2)C1 ZINC000451065464 331014654 /nfs/dbraw/zinc/01/46/54/331014654.db2.gz ANJODZXWCCFKFU-GSXXRBPTSA-N 2 1 284.447 3.508 20 0 CHADMP C[NH+]1CCC[C@]2(CC[N@H+](CC/C=C/c3ccccc3)C2)C1 ZINC000451065464 331014655 /nfs/dbraw/zinc/01/46/55/331014655.db2.gz ANJODZXWCCFKFU-GSXXRBPTSA-N 2 1 284.447 3.508 20 0 CHADMP C[NH+]1CCC[C@]2(CC[N@@H+](CC/C=C/c3ccccc3)C2)C1 ZINC000451065464 331014656 /nfs/dbraw/zinc/01/46/56/331014656.db2.gz ANJODZXWCCFKFU-GSXXRBPTSA-N 2 1 284.447 3.508 20 0 CHADMP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000194881158 331068612 /nfs/dbraw/zinc/06/86/12/331068612.db2.gz LWCGVHOQNNWNED-HNNXBMFYSA-N 2 1 278.440 3.555 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2sccc21 ZINC000453057393 331085256 /nfs/dbraw/zinc/08/52/56/331085256.db2.gz DXSDWPRBBBIERL-HOSILWTGSA-N 2 1 290.476 3.903 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000453069959 331086338 /nfs/dbraw/zinc/08/63/38/331086338.db2.gz ZMEUPIFHYAQHGS-QAPCUYQASA-N 2 1 278.484 3.667 20 0 CHADMP CC[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccncc1 ZINC000453070764 331086502 /nfs/dbraw/zinc/08/65/02/331086502.db2.gz CBAXCWORIKHJEC-LJQANCHMSA-N 2 1 297.446 3.644 20 0 CHADMP CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)C1CCC1 ZINC000453107624 331089828 /nfs/dbraw/zinc/08/98/28/331089828.db2.gz LQPBUZGAQHNSKV-NVXWUHKLSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]C1CCc2ccccc2CC1 ZINC000453116354 331090744 /nfs/dbraw/zinc/09/07/44/331090744.db2.gz HBIVSBGTNSJXJO-UHFFFAOYSA-N 2 1 297.446 3.509 20 0 CHADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453302743 331113482 /nfs/dbraw/zinc/11/34/82/331113482.db2.gz ARIFAHQVVOTXKM-IVDHNXQLSA-N 2 1 298.474 3.818 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C2CC2)c1 ZINC000453371893 331124300 /nfs/dbraw/zinc/12/43/00/331124300.db2.gz WCNPMGLMFVYLKV-NZKYFMOASA-N 2 1 284.447 3.840 20 0 CHADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@H]1CCCC[C@H]1C ZINC000453389991 331127213 /nfs/dbraw/zinc/12/72/13/331127213.db2.gz CPNYATBBTAROID-VYDXJSESSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc2ccccc2n1 ZINC000453393731 331127681 /nfs/dbraw/zinc/12/76/81/331127681.db2.gz GATBFRSADZCTTR-HNNXBMFYSA-N 2 1 297.446 3.760 20 0 CHADMP Cc1cc(C)cc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000453394800 331127858 /nfs/dbraw/zinc/12/78/58/331127858.db2.gz HDSJCKIAXGPDFX-INIZCTEOSA-N 2 1 274.452 3.828 20 0 CHADMP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccsc1 ZINC000453402153 331128802 /nfs/dbraw/zinc/12/88/02/331128802.db2.gz NEUMVCHQLGTQJD-HNNXBMFYSA-N 2 1 266.454 3.663 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@H]1CCCC12CCCC2)C1CC1 ZINC000453406456 331129526 /nfs/dbraw/zinc/12/95/26/331129526.db2.gz QZEYYWQRIHPPGG-INIZCTEOSA-N 2 1 264.457 3.563 20 0 CHADMP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(F)cc1 ZINC000453409195 331129679 /nfs/dbraw/zinc/12/96/79/331129679.db2.gz FWCVYWWGYMULJZ-QGZVFWFLSA-N 2 1 278.415 3.741 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@H]1CCc2ccc(Cl)cc21)C1CC1 ZINC000453415116 331130234 /nfs/dbraw/zinc/13/02/34/331130234.db2.gz XCZPLQCLPAWTHU-KRWDZBQOSA-N 2 1 292.854 3.791 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2ccccc21 ZINC000453418676 331130549 /nfs/dbraw/zinc/13/05/49/331130549.db2.gz YQPDCZHSCSVATN-KBXCAEBGSA-N 2 1 272.436 3.699 20 0 CHADMP CCC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccccc1 ZINC000453428098 331131087 /nfs/dbraw/zinc/13/10/87/331131087.db2.gz PBFOZTFOPXBIAL-SFHVURJKSA-N 2 1 274.452 3.992 20 0 CHADMP C[C@@H](C[NH2+]CCCC[N@@H+](C)C1CC1)c1cc(F)cc(F)c1 ZINC000453590092 331135239 /nfs/dbraw/zinc/13/52/39/331135239.db2.gz AKIUUCYKVMBULK-ZDUSSCGKSA-N 2 1 296.405 3.532 20 0 CHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCc2cccc(Cl)c2)C1 ZINC000459381367 331279196 /nfs/dbraw/zinc/27/91/96/331279196.db2.gz UTWIYJHJECRQBS-INIZCTEOSA-N 2 1 294.870 3.546 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCc2cccc(Cl)c2)C1 ZINC000459381367 331279197 /nfs/dbraw/zinc/27/91/97/331279197.db2.gz UTWIYJHJECRQBS-INIZCTEOSA-N 2 1 294.870 3.546 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCc2cccc(Cl)c2)C1 ZINC000459381367 331279198 /nfs/dbraw/zinc/27/91/98/331279198.db2.gz UTWIYJHJECRQBS-INIZCTEOSA-N 2 1 294.870 3.546 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCc2cccc(Cl)c2)C1 ZINC000459381367 331279199 /nfs/dbraw/zinc/27/91/99/331279199.db2.gz UTWIYJHJECRQBS-INIZCTEOSA-N 2 1 294.870 3.546 20 0 CHADMP C[N@@H+](Cc1ccc(C2CC2)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000459546029 331287088 /nfs/dbraw/zinc/28/70/88/331287088.db2.gz MEENXGDMOPJDPH-DFNIBXOVSA-N 2 1 284.447 3.621 20 0 CHADMP C[NH+](Cc1ccc(C2CC2)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000459546029 331287089 /nfs/dbraw/zinc/28/70/89/331287089.db2.gz MEENXGDMOPJDPH-DFNIBXOVSA-N 2 1 284.447 3.621 20 0 CHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000459726831 331296091 /nfs/dbraw/zinc/29/60/91/331296091.db2.gz BVIOYAJEEHPROY-NEWSRXKRSA-N 2 1 286.463 3.644 20 0 CHADMP C[C@@H](CCc1ccccc1)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459739403 331297340 /nfs/dbraw/zinc/29/73/40/331297340.db2.gz SMJVMPSCCFNLGK-PKOBYXMFSA-N 2 1 288.479 3.577 20 0 CHADMP CC[C@H](C)C[C@H](CC)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459798359 331301501 /nfs/dbraw/zinc/30/15/01/331301501.db2.gz XLMZDRVYHQMSJS-JYJNAYRXSA-N 2 1 254.462 3.523 20 0 CHADMP CCC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000459800602 331301546 /nfs/dbraw/zinc/30/15/46/331301546.db2.gz ZUMVXXOSWIECOV-RDJZCZTQSA-N 2 1 266.473 3.667 20 0 CHADMP CC[C@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)C1 ZINC000462660440 331324758 /nfs/dbraw/zinc/32/47/58/331324758.db2.gz KFKSLCVHTVFZOK-JKSUJKDBSA-N 2 1 266.473 3.809 20 0 CHADMP FCCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000462814810 331330623 /nfs/dbraw/zinc/33/06/23/331330623.db2.gz GJQRUJKQRDNRFQ-NNZMDNLPSA-N 2 1 290.426 3.521 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(Cl)c(C)c2)[C@@H](C)C1 ZINC000462823379 331331377 /nfs/dbraw/zinc/33/13/77/331331377.db2.gz UCLDGABSPGXYJB-WMLDXEAASA-N 2 1 294.870 3.511 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(Cl)c(C)c2)[C@H](C)C1 ZINC000462823378 331331389 /nfs/dbraw/zinc/33/13/89/331331389.db2.gz UCLDGABSPGXYJB-RHSMWYFYSA-N 2 1 294.870 3.511 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2c3ccccc3CCC[C@@H]2C)CC1 ZINC000462837368 331332110 /nfs/dbraw/zinc/33/21/10/331332110.db2.gz GWCJRBIWISSLOR-HNAYVOBHSA-N 2 1 286.463 3.774 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2c3ccccc3CCC[C@H]2C)CC1 ZINC000462837367 331332125 /nfs/dbraw/zinc/33/21/25/331332125.db2.gz GWCJRBIWISSLOR-DNVCBOLYSA-N 2 1 286.463 3.774 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000463538155 331349267 /nfs/dbraw/zinc/34/92/67/331349267.db2.gz AAWJMBDVOPZSIN-ZWKOTPCHSA-N 2 1 288.479 3.889 20 0 CHADMP C(CC[NH+]1C[C@@H]2CCC[C@@H]2C1)CC[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000464874604 331372485 /nfs/dbraw/zinc/37/24/85/331372485.db2.gz BTHKLAIQFPBCCJ-QGFMHUBQSA-N 2 1 290.495 3.621 20 0 CHADMP CN1CCC[C@@H](C[N@@H+](C)[C@H]2CCc3c2cccc3Cl)C1 ZINC000489839738 332069805 /nfs/dbraw/zinc/06/98/05/332069805.db2.gz UWZBWUQRUGSDPK-DYVFJYSZSA-N 2 1 292.854 3.601 20 0 CHADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCc2c1cccc2Cl ZINC000489839738 332069806 /nfs/dbraw/zinc/06/98/06/332069806.db2.gz UWZBWUQRUGSDPK-DYVFJYSZSA-N 2 1 292.854 3.601 20 0 CHADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCc2c1cccc2Cl ZINC000489839738 332069808 /nfs/dbraw/zinc/06/98/08/332069808.db2.gz UWZBWUQRUGSDPK-DYVFJYSZSA-N 2 1 292.854 3.601 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]3CCC[C@H]31)CCC2 ZINC000490296989 332086205 /nfs/dbraw/zinc/08/62/05/332086205.db2.gz DRKAFNKWIRXELS-IJXRJRJASA-N 2 1 298.474 3.835 20 0 CHADMP Cc1ccc(-c2ccc(C[NH2+]C[C@H](C)C[NH+](C)C)o2)cc1 ZINC000491596541 332242222 /nfs/dbraw/zinc/24/22/22/332242222.db2.gz LNZXDAVKVRDUSL-HNNXBMFYSA-N 2 1 286.419 3.542 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000172190026 335096657 /nfs/dbraw/zinc/09/66/57/335096657.db2.gz BGYRSWIHSYNOIP-QGZVFWFLSA-N 2 1 264.457 3.539 20 0 CHADMP Cc1ccoc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000513430621 333018613 /nfs/dbraw/zinc/01/86/13/333018613.db2.gz XDYSSKGUMQSTDQ-KRWDZBQOSA-N 2 1 290.451 3.676 20 0 CHADMP Cc1ccoc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000513430621 333018614 /nfs/dbraw/zinc/01/86/14/333018614.db2.gz XDYSSKGUMQSTDQ-KRWDZBQOSA-N 2 1 290.451 3.676 20 0 CHADMP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c(C)c1 ZINC000513652797 333029374 /nfs/dbraw/zinc/02/93/74/333029374.db2.gz BWAYTYXBLXGLJF-QXAKKESOSA-N 2 1 286.463 3.574 20 0 CHADMP CCCCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309916870 333051278 /nfs/dbraw/zinc/05/12/78/333051278.db2.gz OPAOVRPCNCRNSD-SJLPKXTDSA-N 2 1 274.452 3.677 20 0 CHADMP CC(C)[C@H](C)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309921988 333051523 /nfs/dbraw/zinc/05/15/23/333051523.db2.gz RFJYXWGTVHBYOV-LMMKCTJWSA-N 2 1 288.479 3.779 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1c1ccccc1C ZINC000514079643 333065237 /nfs/dbraw/zinc/06/52/37/333065237.db2.gz HOTXKIWQEPPMFX-SFHVURJKSA-N 2 1 274.452 3.864 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000516815501 333083174 /nfs/dbraw/zinc/08/31/74/333083174.db2.gz UGDVLMUQSIOQTL-CABCVRRESA-N 2 1 294.870 3.763 20 0 CHADMP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1cncc(C)c1 ZINC000184340684 333127056 /nfs/dbraw/zinc/12/70/56/333127056.db2.gz BIDLCZAATHRFCR-MRXNPFEDSA-N 2 1 277.456 3.553 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC1=CCCCCC1 ZINC000184576448 333130030 /nfs/dbraw/zinc/13/00/30/333130030.db2.gz JJHWJNIMNXRBAF-HLLBOEOZSA-N 2 1 264.457 3.585 20 0 CHADMP COc1ccsc1[C@@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000186086899 333154746 /nfs/dbraw/zinc/15/47/46/333154746.db2.gz RCKBLBGMBFJQRE-CQSZACIVSA-N 2 1 296.480 3.529 20 0 CHADMP COc1ccsc1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000186117150 333155227 /nfs/dbraw/zinc/15/52/27/333155227.db2.gz JSBASDIEKCEMAT-UONOGXRCSA-N 2 1 296.480 3.529 20 0 CHADMP CCCc1cccc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000187031996 333167469 /nfs/dbraw/zinc/16/74/69/333167469.db2.gz NHUBFFCUNLMOPP-CRAIPNDOSA-N 2 1 274.452 3.554 20 0 CHADMP CCCc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000187031996 333167470 /nfs/dbraw/zinc/16/74/70/333167470.db2.gz NHUBFFCUNLMOPP-CRAIPNDOSA-N 2 1 274.452 3.554 20 0 CHADMP CCCc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000187031996 333167471 /nfs/dbraw/zinc/16/74/71/333167471.db2.gz NHUBFFCUNLMOPP-CRAIPNDOSA-N 2 1 274.452 3.554 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000189067470 333179871 /nfs/dbraw/zinc/17/98/71/333179871.db2.gz YKFCYKUZZFFAGE-IAGOWNOFSA-N 2 1 278.484 3.811 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)c(C)o1 ZINC000222904817 333201826 /nfs/dbraw/zinc/20/18/26/333201826.db2.gz JTOCXQXIZSABMI-CQSZACIVSA-N 2 1 278.440 3.667 20 0 CHADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000223066164 333203994 /nfs/dbraw/zinc/20/39/94/333203994.db2.gz LRXHZLUPVROPOL-KBPBESRZSA-N 2 1 282.859 3.591 20 0 CHADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000223066164 333203995 /nfs/dbraw/zinc/20/39/95/333203995.db2.gz LRXHZLUPVROPOL-KBPBESRZSA-N 2 1 282.859 3.591 20 0 CHADMP C(C[N@H+]1CCC[C@H]1C1CCCC1)C[NH+]1CCCCC1 ZINC000193477756 333250967 /nfs/dbraw/zinc/25/09/67/333250967.db2.gz NLZFQCGYJZMTBJ-KRWDZBQOSA-N 2 1 264.457 3.517 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000226918426 333272169 /nfs/dbraw/zinc/27/21/69/333272169.db2.gz IVXJPYJDGXAGGP-GUYCJALGSA-N 2 1 292.854 3.723 20 0 CHADMP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1)C1CCSCC1 ZINC000250068946 333302048 /nfs/dbraw/zinc/30/20/48/333302048.db2.gz NTLFQUSHPQSZHS-LSDHHAIUSA-N 2 1 298.540 3.618 20 0 CHADMP C[C@@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1)C1CCSCC1 ZINC000250068946 333302050 /nfs/dbraw/zinc/30/20/50/333302050.db2.gz NTLFQUSHPQSZHS-LSDHHAIUSA-N 2 1 298.540 3.618 20 0 CHADMP Cc1ccc([C@@H]2C[C@H](C)[N@@H+](CCCc3c[nH+]cn3C)C2)cc1 ZINC000575931928 335132778 /nfs/dbraw/zinc/13/27/78/335132778.db2.gz RWFRLGDCNRAZDY-FUHWJXTLSA-N 2 1 297.446 3.539 20 0 CHADMP Cc1ccc([C@@H]2C[C@H](C)[N@H+](CCCc3c[nH+]cn3C)C2)cc1 ZINC000575931928 335132779 /nfs/dbraw/zinc/13/27/79/335132779.db2.gz RWFRLGDCNRAZDY-FUHWJXTLSA-N 2 1 297.446 3.539 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000523556643 333332937 /nfs/dbraw/zinc/33/29/37/333332937.db2.gz GUYZODYYEQSFRV-SFHVURJKSA-N 2 1 286.463 3.530 20 0 CHADMP C[C@@H]([NH2+]C[C@@H](C1CCCCC1)[NH+](C)C)C1CC(F)(F)C1 ZINC000529533715 333494225 /nfs/dbraw/zinc/49/42/25/333494225.db2.gz TVRNPHHALPOUPL-DOMZBBRYSA-N 2 1 288.426 3.520 20 0 CHADMP CC(C)[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000132357873 333978276 /nfs/dbraw/zinc/97/82/76/333978276.db2.gz QNOJJOAYGXJBBF-IBGZPJMESA-N 2 1 286.463 3.675 20 0 CHADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(C(C)C)cc2)CC1 ZINC000077249154 334100279 /nfs/dbraw/zinc/10/02/79/334100279.db2.gz UYZFDIQLDWLNSL-UHFFFAOYSA-N 2 1 274.452 3.726 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C(C)C)cc2)CC1 ZINC000077249154 334100280 /nfs/dbraw/zinc/10/02/80/334100280.db2.gz UYZFDIQLDWLNSL-UHFFFAOYSA-N 2 1 274.452 3.726 20 0 CHADMP C[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)[C@H]2CCCC[C@H]12 ZINC000547737600 334113309 /nfs/dbraw/zinc/11/33/09/334113309.db2.gz ZZKPMJSVJIYBRL-KURKYZTESA-N 2 1 278.484 3.763 20 0 CHADMP C[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)[C@H]2CCCC[C@H]12 ZINC000547737600 334113311 /nfs/dbraw/zinc/11/33/11/334113311.db2.gz ZZKPMJSVJIYBRL-KURKYZTESA-N 2 1 278.484 3.763 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CC1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547826581 334123463 /nfs/dbraw/zinc/12/34/63/334123463.db2.gz HBWRLMVHAZRYCL-CGTJXYLNSA-N 2 1 286.463 3.533 20 0 CHADMP CC(C)[C@@H](C)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000081047624 334177546 /nfs/dbraw/zinc/17/75/46/334177546.db2.gz QPUULSDNYQGNBZ-INIZCTEOSA-N 2 1 274.452 3.533 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000548884512 334178951 /nfs/dbraw/zinc/17/89/51/334178951.db2.gz QGRVGXVFOKEJIT-DABHTEOTSA-N 2 1 298.474 3.818 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC000548884512 334178952 /nfs/dbraw/zinc/17/89/52/334178952.db2.gz QGRVGXVFOKEJIT-DABHTEOTSA-N 2 1 298.474 3.818 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000245461183 334195140 /nfs/dbraw/zinc/19/51/40/334195140.db2.gz WGBYKPMHSAPOTN-WMLDXEAASA-N 2 1 278.415 3.550 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000245461183 334195142 /nfs/dbraw/zinc/19/51/42/334195142.db2.gz WGBYKPMHSAPOTN-WMLDXEAASA-N 2 1 278.415 3.550 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000245461183 334195144 /nfs/dbraw/zinc/19/51/44/334195144.db2.gz WGBYKPMHSAPOTN-WMLDXEAASA-N 2 1 278.415 3.550 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000245461183 334195147 /nfs/dbraw/zinc/19/51/47/334195147.db2.gz WGBYKPMHSAPOTN-WMLDXEAASA-N 2 1 278.415 3.550 20 0 CHADMP CC[N@H+]1CC[C@@H](N(C)Cc2cccc(F)c2Cl)[C@@H](C)C1 ZINC000549527552 334196368 /nfs/dbraw/zinc/19/63/68/334196368.db2.gz RADAPWPTLCVVKB-SWLSCSKDSA-N 2 1 298.833 3.641 20 0 CHADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000245508008 334198566 /nfs/dbraw/zinc/19/85/66/334198566.db2.gz QZTORFPEBDFYCF-IIDMSEBBSA-N 2 1 284.447 3.617 20 0 CHADMP CCCC[C@H](CCC)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246926990 334272216 /nfs/dbraw/zinc/27/22/16/334272216.db2.gz GICRIMZXKGHDBR-HRCADAONSA-N 2 1 254.462 3.665 20 0 CHADMP CC[C@@H](C)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000246947273 334272462 /nfs/dbraw/zinc/27/24/62/334272462.db2.gz HEGNBKAALXPTRY-HPFXQQBRSA-N 2 1 274.452 3.531 20 0 CHADMP CCC[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000245608237 334206864 /nfs/dbraw/zinc/20/68/64/334206864.db2.gz AEAIYUVPPROGOL-QRQLOZEOSA-N 2 1 288.479 3.985 20 0 CHADMP CCC[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000245608237 334206865 /nfs/dbraw/zinc/20/68/65/334206865.db2.gz AEAIYUVPPROGOL-QRQLOZEOSA-N 2 1 288.479 3.985 20 0 CHADMP CCC[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000245608237 334206866 /nfs/dbraw/zinc/20/68/66/334206866.db2.gz AEAIYUVPPROGOL-QRQLOZEOSA-N 2 1 288.479 3.985 20 0 CHADMP CCC[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000245608237 334206867 /nfs/dbraw/zinc/20/68/67/334206867.db2.gz AEAIYUVPPROGOL-QRQLOZEOSA-N 2 1 288.479 3.985 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CCC1 ZINC000246971031 334273089 /nfs/dbraw/zinc/27/30/89/334273089.db2.gz JECJJSVKPNCMOZ-OWCLPIDISA-N 2 1 266.473 3.523 20 0 CHADMP CCCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245778591 334219204 /nfs/dbraw/zinc/21/92/04/334219204.db2.gz YPADHFXOSZESHC-LDLYASANSA-N 2 1 286.463 3.962 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H](CC2CCC2)c2ccccc2)CC[N@@H+]1C ZINC000245867829 334222227 /nfs/dbraw/zinc/22/22/27/334222227.db2.gz IUVKCVNHBJKIAT-ATZDWAIDSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H](CC2CCC2)c2ccccc2)CC[N@H+]1C ZINC000245867829 334222228 /nfs/dbraw/zinc/22/22/28/334222228.db2.gz IUVKCVNHBJKIAT-ATZDWAIDSA-N 2 1 286.463 3.990 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(C)cc2)C2CC2)C1 ZINC000245939249 334224892 /nfs/dbraw/zinc/22/48/92/334224892.db2.gz ANOQLZNYPUDACM-VQIMIIECSA-N 2 1 286.463 3.768 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2c(C)oc3ccccc32)[C@@H](C)C1 ZINC000245961969 334225787 /nfs/dbraw/zinc/22/57/87/334225787.db2.gz YHXILYCYIFJPIF-GUYCJALGSA-N 2 1 286.419 3.561 20 0 CHADMP CC1=CC[C@@H]([NH2+]CCC[N@H+](C)C2CCCCC2)CC1 ZINC000550884993 334231759 /nfs/dbraw/zinc/23/17/59/334231759.db2.gz APIHUBQBSXHWGQ-MRXNPFEDSA-N 2 1 264.457 3.729 20 0 CHADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550976992 334235211 /nfs/dbraw/zinc/23/52/11/334235211.db2.gz NHICHBNLMJDWDM-BVBHFADKSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550976992 334235212 /nfs/dbraw/zinc/23/52/12/334235212.db2.gz NHICHBNLMJDWDM-BVBHFADKSA-N 2 1 286.463 3.990 20 0 CHADMP CCC(CC)C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551030100 334236500 /nfs/dbraw/zinc/23/65/00/334236500.db2.gz HNXWWSYZWVPDOT-ZWKOTPCHSA-N 2 1 274.452 3.848 20 0 CHADMP CCC(CC)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551030100 334236502 /nfs/dbraw/zinc/23/65/02/334236502.db2.gz HNXWWSYZWVPDOT-ZWKOTPCHSA-N 2 1 274.452 3.848 20 0 CHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2Cl)C1 ZINC000247067469 334274885 /nfs/dbraw/zinc/27/48/85/334274885.db2.gz OCXCNERJHGQTMM-CHWSQXEVSA-N 2 1 298.833 3.862 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2Cl)C1 ZINC000247067469 334274886 /nfs/dbraw/zinc/27/48/86/334274886.db2.gz OCXCNERJHGQTMM-CHWSQXEVSA-N 2 1 298.833 3.862 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)(C)C)[C@@H]2CCC[C@@H]21 ZINC000551229008 334241750 /nfs/dbraw/zinc/24/17/50/334241750.db2.gz POFVTPBYCFIAOH-KKUMJFAQSA-N 2 1 266.473 3.521 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)(C)C)[C@@H]2CCC[C@H]21 ZINC000551229010 334241809 /nfs/dbraw/zinc/24/18/09/334241809.db2.gz POFVTPBYCFIAOH-SOUVJXGZSA-N 2 1 266.473 3.521 20 0 CHADMP CC1=CC[C@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000551312857 334246463 /nfs/dbraw/zinc/24/64/63/334246463.db2.gz CNGIGTGRINYNKY-MJGOQNOKSA-N 2 1 286.463 3.985 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CCCc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000246270904 334247620 /nfs/dbraw/zinc/24/76/20/334247620.db2.gz ANKQHPLKUHSXKB-YOEHRIQHSA-N 2 1 294.870 3.593 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000247101692 334275795 /nfs/dbraw/zinc/27/57/95/334275795.db2.gz SITDZNGQQUKCSL-PMPSAXMXSA-N 2 1 285.435 3.609 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000246647991 334266285 /nfs/dbraw/zinc/26/62/85/334266285.db2.gz SQYRPQVHQALPTF-IAGOWNOFSA-N 2 1 275.440 3.626 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000246647991 334266287 /nfs/dbraw/zinc/26/62/87/334266287.db2.gz SQYRPQVHQALPTF-IAGOWNOFSA-N 2 1 275.440 3.626 20 0 CHADMP CC(C)C1CCC([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000246866732 334270940 /nfs/dbraw/zinc/27/09/40/334270940.db2.gz CTSWUPQNAQNAEO-WHHARQNVSA-N 2 1 266.473 3.520 20 0 CHADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H]3CCCC(C)(C)C3)C2)C1 ZINC000552111110 334290584 /nfs/dbraw/zinc/29/05/84/334290584.db2.gz QQAQRRYRRNCLGT-FUHWJXTLSA-N 2 1 278.484 3.621 20 0 CHADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H]3CCCC(C)(C)C3)C2)C1 ZINC000552111110 334290585 /nfs/dbraw/zinc/29/05/85/334290585.db2.gz QQAQRRYRRNCLGT-FUHWJXTLSA-N 2 1 278.484 3.621 20 0 CHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H]3CCCC(C)(C)C3)C2)C1 ZINC000552111110 334290586 /nfs/dbraw/zinc/29/05/86/334290586.db2.gz QQAQRRYRRNCLGT-FUHWJXTLSA-N 2 1 278.484 3.621 20 0 CHADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247975894 334292763 /nfs/dbraw/zinc/29/27/63/334292763.db2.gz HUYHVOSHDQWKSS-RCCFBDPRSA-N 2 1 272.436 3.554 20 0 CHADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247975894 334292765 /nfs/dbraw/zinc/29/27/65/334292765.db2.gz HUYHVOSHDQWKSS-RCCFBDPRSA-N 2 1 272.436 3.554 20 0 CHADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247975894 334292767 /nfs/dbraw/zinc/29/27/67/334292767.db2.gz HUYHVOSHDQWKSS-RCCFBDPRSA-N 2 1 272.436 3.554 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000248168579 334296368 /nfs/dbraw/zinc/29/63/68/334296368.db2.gz UGEAZMBLOCARSM-RKVPGOIHSA-N 2 1 272.436 3.556 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC000249059463 334326152 /nfs/dbraw/zinc/32/61/52/334326152.db2.gz ZQCLAHPYVPZRTG-RPZWUGTHSA-N 2 1 284.447 3.840 20 0 CHADMP C[C@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c1cccc(Cl)c1 ZINC000249201958 334330079 /nfs/dbraw/zinc/33/00/79/334330079.db2.gz UCMXKOQNWLREIR-CABCVRRESA-N 2 1 294.870 3.717 20 0 CHADMP C[C@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000249201958 334330080 /nfs/dbraw/zinc/33/00/80/334330080.db2.gz UCMXKOQNWLREIR-CABCVRRESA-N 2 1 294.870 3.717 20 0 CHADMP C[C@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000249201958 334330082 /nfs/dbraw/zinc/33/00/82/334330082.db2.gz UCMXKOQNWLREIR-CABCVRRESA-N 2 1 294.870 3.717 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc3ccccc3c2)C1 ZINC000249382730 334332921 /nfs/dbraw/zinc/33/29/21/334332921.db2.gz UIGCVVUXCZETGX-CVEARBPZSA-N 2 1 282.431 3.832 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000250900398 334353091 /nfs/dbraw/zinc/35/30/91/334353091.db2.gz NDKLBGVATGHATI-KCXAZCMYSA-N 2 1 278.827 3.617 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000251088823 334356284 /nfs/dbraw/zinc/35/62/84/334356284.db2.gz ATNMNTPPCXWJJQ-SQNIBIBYSA-N 2 1 272.436 3.744 20 0 CHADMP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000251091077 334356439 /nfs/dbraw/zinc/35/64/39/334356439.db2.gz WTHKJSLITBKRJU-JQHSSLGASA-N 2 1 272.436 3.581 20 0 CHADMP CC[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)C1 ZINC000251631852 334365876 /nfs/dbraw/zinc/36/58/76/334365876.db2.gz FMXDZQUFTILFQK-ZACQAIPSSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)C1CCCC1 ZINC000090798238 334367897 /nfs/dbraw/zinc/36/78/97/334367897.db2.gz CNJTZHOHUYLKOT-YCPHGPKFSA-N 2 1 266.473 3.521 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCc2c1cccc2F ZINC000252120291 334373944 /nfs/dbraw/zinc/37/39/44/334373944.db2.gz JGCYVWNBBPNGNX-KDOFPFPSSA-N 2 1 290.426 3.667 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccccc2)C(C)C)C1 ZINC000091305979 334376052 /nfs/dbraw/zinc/37/60/52/334376052.db2.gz KOWXAGZKQLBOGK-SJLPKXTDSA-N 2 1 274.452 3.705 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c2ccccc21 ZINC000252716317 334386134 /nfs/dbraw/zinc/38/61/34/334386134.db2.gz YDGFBBCVXJRJTD-DTDBQYNISA-N 2 1 272.436 3.555 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c2ccccc21 ZINC000252716317 334386136 /nfs/dbraw/zinc/38/61/36/334386136.db2.gz YDGFBBCVXJRJTD-DTDBQYNISA-N 2 1 272.436 3.555 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000252715160 334386212 /nfs/dbraw/zinc/38/62/12/334386212.db2.gz UVCYJNFOTOIUOW-JYPHPWERSA-N 2 1 286.463 3.643 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000252715160 334386214 /nfs/dbraw/zinc/38/62/14/334386214.db2.gz UVCYJNFOTOIUOW-JYPHPWERSA-N 2 1 286.463 3.643 20 0 CHADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCC[C@H]2F)CC1 ZINC000556259833 334504633 /nfs/dbraw/zinc/50/46/33/334504633.db2.gz IYSZEZXZYGBLJS-ORQFMDKSSA-N 2 1 282.447 3.510 20 0 CHADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cc3c(s2)CCCC3)c2ccccc21 ZINC000564824759 334522428 /nfs/dbraw/zinc/52/24/28/334522428.db2.gz VBBNATBAMAZMOZ-DLBZAZTESA-N 2 1 298.455 3.861 20 0 CHADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2F)CC1 ZINC000569024432 334851889 /nfs/dbraw/zinc/85/18/89/334851889.db2.gz IYSZEZXZYGBLJS-LLLHUVSDSA-N 2 1 282.447 3.510 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000164629544 334884285 /nfs/dbraw/zinc/88/42/85/334884285.db2.gz VPURAMYAAUPNPH-IAGOWNOFSA-N 2 1 277.456 3.776 20 0 CHADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000576436126 335203130 /nfs/dbraw/zinc/20/31/30/335203130.db2.gz LVZMISUGNBJXKC-NJAFHUGGSA-N 2 1 274.452 3.641 20 0 CHADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000576436126 335203131 /nfs/dbraw/zinc/20/31/31/335203131.db2.gz LVZMISUGNBJXKC-NJAFHUGGSA-N 2 1 274.452 3.641 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000576907764 335262792 /nfs/dbraw/zinc/26/27/92/335262792.db2.gz PMDLPKKTKMKIQQ-BHIYHBOVSA-N 2 1 286.463 3.643 20 0 CHADMP C[C@H]1C[C@H](CC[NH2+]CC2(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000577328108 335339285 /nfs/dbraw/zinc/33/92/85/335339285.db2.gz ONFLQNDNDJTHII-WMZOPIPTSA-N 2 1 286.463 3.677 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000178696220 335445749 /nfs/dbraw/zinc/44/57/49/335445749.db2.gz MAEFABGCKGXYHU-HOTGVXAUSA-N 2 1 299.462 3.784 20 0 CHADMP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)C1CCCCC1 ZINC000178787476 335450752 /nfs/dbraw/zinc/45/07/52/335450752.db2.gz LUMWQBJYYZYQSM-KRWDZBQOSA-N 2 1 277.456 3.920 20 0 CHADMP Cc1nc(C)c([C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)s1 ZINC000184499569 335927420 /nfs/dbraw/zinc/92/74/20/335927420.db2.gz HKRJSOGFACILTQ-CHWSQXEVSA-N 2 1 295.496 3.675 20 0 CHADMP CC[C@H]([NH2+]CCC[NH+](CC)CC)c1ccsc1 ZINC000382132747 336082459 /nfs/dbraw/zinc/08/24/59/336082459.db2.gz PAMZSTYOLNTFCW-AWEZNQCLSA-N 2 1 254.443 3.521 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]CC2CCCCC2)C[C@@H]1c1ccccc1 ZINC000581838630 336150491 /nfs/dbraw/zinc/15/04/91/336150491.db2.gz WCFPQVOVQQIRIH-RTBURBONSA-N 2 1 286.463 3.992 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CC2CCCCC2)C[C@@H]1c1ccccc1 ZINC000581838630 336150493 /nfs/dbraw/zinc/15/04/93/336150493.db2.gz WCFPQVOVQQIRIH-RTBURBONSA-N 2 1 286.463 3.992 20 0 CHADMP CC(C)CCC[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000338437498 519641245 /nfs/dbraw/zinc/64/12/45/519641245.db2.gz SQDFWDXZMBWFJM-MRXNPFEDSA-N 2 1 254.462 3.667 20 0 CHADMP CC(C)CCC[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000338436288 519641289 /nfs/dbraw/zinc/64/12/89/519641289.db2.gz MUNILRWUMBSIGW-MRXNPFEDSA-N 2 1 254.462 3.524 20 0 CHADMP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000130123133 519781943 /nfs/dbraw/zinc/78/19/43/519781943.db2.gz MIIDCWDURZPSBY-ZOBUZTSGSA-N 2 1 290.451 3.607 20 0 CHADMP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000130123133 519781944 /nfs/dbraw/zinc/78/19/44/519781944.db2.gz MIIDCWDURZPSBY-ZOBUZTSGSA-N 2 1 290.451 3.607 20 0 CHADMP CC(C)Oc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000130111670 519783764 /nfs/dbraw/zinc/78/37/64/519783764.db2.gz KNMSIVAUNCBAMG-ZOBUZTSGSA-N 2 1 290.451 3.607 20 0 CHADMP CC(C)Oc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000130111670 519783765 /nfs/dbraw/zinc/78/37/65/519783765.db2.gz KNMSIVAUNCBAMG-ZOBUZTSGSA-N 2 1 290.451 3.607 20 0 CHADMP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC000081584828 521497747 /nfs/dbraw/zinc/49/77/47/521497747.db2.gz ZYPAQEPIVNKNGM-LSDHHAIUSA-N 2 1 278.415 3.550 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC000081584828 521497758 /nfs/dbraw/zinc/49/77/58/521497758.db2.gz ZYPAQEPIVNKNGM-LSDHHAIUSA-N 2 1 278.415 3.550 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000081584828 521497766 /nfs/dbraw/zinc/49/77/66/521497766.db2.gz ZYPAQEPIVNKNGM-LSDHHAIUSA-N 2 1 278.415 3.550 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000081584828 521497773 /nfs/dbraw/zinc/49/77/73/521497773.db2.gz ZYPAQEPIVNKNGM-LSDHHAIUSA-N 2 1 278.415 3.550 20 0 CHADMP CCSc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000290354471 521758030 /nfs/dbraw/zinc/75/80/30/521758030.db2.gz GIAODDJZMFAWTG-WMLDXEAASA-N 2 1 292.492 3.571 20 0 CHADMP CCSc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000290354471 521758038 /nfs/dbraw/zinc/75/80/38/521758038.db2.gz GIAODDJZMFAWTG-WMLDXEAASA-N 2 1 292.492 3.571 20 0 CHADMP CCSc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000290354471 521758043 /nfs/dbraw/zinc/75/80/43/521758043.db2.gz GIAODDJZMFAWTG-WMLDXEAASA-N 2 1 292.492 3.571 20 0 CHADMP CCSc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000290354471 521758049 /nfs/dbraw/zinc/75/80/49/521758049.db2.gz GIAODDJZMFAWTG-WMLDXEAASA-N 2 1 292.492 3.571 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]CCC2(F)CCC2)C[C@@H]1c1ccccc1 ZINC000340394292 523968180 /nfs/dbraw/zinc/96/81/80/523968180.db2.gz ORLFSEIKKGFNKS-IAGOWNOFSA-N 2 1 290.426 3.694 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CCC2(F)CCC2)C[C@@H]1c1ccccc1 ZINC000340394292 523968182 /nfs/dbraw/zinc/96/81/82/523968182.db2.gz ORLFSEIKKGFNKS-IAGOWNOFSA-N 2 1 290.426 3.694 20 0 CHADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000049553504 524167837 /nfs/dbraw/zinc/16/78/37/524167837.db2.gz UVHBSVKCMPOLAH-MNOVXSKESA-N 2 1 289.250 3.984 20 0 CHADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc2ccccc2s1 ZINC000290359803 524564125 /nfs/dbraw/zinc/56/41/25/524564125.db2.gz GUCGLGNRSFFEGW-XJKSGUPXSA-N 2 1 288.460 3.673 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc2ccccc2s1 ZINC000290359803 524564130 /nfs/dbraw/zinc/56/41/30/524564130.db2.gz GUCGLGNRSFFEGW-XJKSGUPXSA-N 2 1 288.460 3.673 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc2ccccc2s1 ZINC000290359803 524564135 /nfs/dbraw/zinc/56/41/35/524564135.db2.gz GUCGLGNRSFFEGW-XJKSGUPXSA-N 2 1 288.460 3.673 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc2ccccc2s1 ZINC000290359803 524564138 /nfs/dbraw/zinc/56/41/38/524564138.db2.gz GUCGLGNRSFFEGW-XJKSGUPXSA-N 2 1 288.460 3.673 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000289620430 527403776 /nfs/dbraw/zinc/40/37/76/527403776.db2.gz WIGGLCMAQSFSFL-PBHICJAKSA-N 2 1 275.440 3.554 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000290359687 527409950 /nfs/dbraw/zinc/40/99/50/527409950.db2.gz GSWOLHDCUZNOHQ-UHFFFAOYSA-N 2 1 295.789 3.506 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000290359687 527409955 /nfs/dbraw/zinc/40/99/55/527409955.db2.gz GSWOLHDCUZNOHQ-UHFFFAOYSA-N 2 1 295.789 3.506 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000275846601 527419528 /nfs/dbraw/zinc/41/95/28/527419528.db2.gz VOLVPLBJWQNISJ-CYBMUJFWSA-N 2 1 291.826 3.628 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000280812708 527432063 /nfs/dbraw/zinc/43/20/63/527432063.db2.gz IEXFFBKENTUIHK-QWHCGFSZSA-N 2 1 291.826 3.627 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2coc3ccccc23)C[C@H]1C ZINC000353741206 527755585 /nfs/dbraw/zinc/75/55/85/527755585.db2.gz REVORZAAEAJRGM-GDBMZVCRSA-N 2 1 286.419 3.737 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2coc3ccccc23)C[C@H]1C ZINC000353741206 527755587 /nfs/dbraw/zinc/75/55/87/527755587.db2.gz REVORZAAEAJRGM-GDBMZVCRSA-N 2 1 286.419 3.737 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2coc3ccccc23)C[C@H]1C ZINC000353741206 527755591 /nfs/dbraw/zinc/75/55/91/527755591.db2.gz REVORZAAEAJRGM-GDBMZVCRSA-N 2 1 286.419 3.737 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2coc3ccccc23)C[C@H]1C ZINC000353741206 527755594 /nfs/dbraw/zinc/75/55/94/527755594.db2.gz REVORZAAEAJRGM-GDBMZVCRSA-N 2 1 286.419 3.737 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2coc3ccccc23)C[C@H]1C ZINC000353741209 527835085 /nfs/dbraw/zinc/83/50/85/527835085.db2.gz REVORZAAEAJRGM-ZBFHGGJFSA-N 2 1 286.419 3.737 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2coc3ccccc23)C[C@H]1C ZINC000353741209 527835089 /nfs/dbraw/zinc/83/50/89/527835089.db2.gz REVORZAAEAJRGM-ZBFHGGJFSA-N 2 1 286.419 3.737 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2coc3ccccc23)C[C@H]1C ZINC000353741209 527835092 /nfs/dbraw/zinc/83/50/92/527835092.db2.gz REVORZAAEAJRGM-ZBFHGGJFSA-N 2 1 286.419 3.737 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2coc3ccccc23)C[C@H]1C ZINC000353741209 527835097 /nfs/dbraw/zinc/83/50/97/527835097.db2.gz REVORZAAEAJRGM-ZBFHGGJFSA-N 2 1 286.419 3.737 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3C)C2)[C@@H](C)C1 ZINC000366976252 527890571 /nfs/dbraw/zinc/89/05/71/527890571.db2.gz YDRRZKXYZJMRTR-DWRORGKVSA-N 2 1 286.463 3.561 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)c2cccc(C)c2)C1 ZINC000353525333 528254304 /nfs/dbraw/zinc/25/43/04/528254304.db2.gz YINCEHORGCMJOV-FUHWJXTLSA-N 2 1 274.452 3.768 20 0 CHADMP CCCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192933124 528763077 /nfs/dbraw/zinc/76/30/77/528763077.db2.gz IKYYUGWXPGUPSY-SJLPKXTDSA-N 2 1 274.452 3.677 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(C)(C)C ZINC000623538395 1117870087 /nfs/dbraw/zinc/87/00/87/1117870087.db2.gz BUHPIVMZQLWZLB-KGLIPLIRSA-N 2 1 254.462 3.664 20 0 CHADMP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623697960 1117896045 /nfs/dbraw/zinc/89/60/45/1117896045.db2.gz GBGJYAXRYOHGCU-GFCCVEGCSA-N 2 1 276.415 3.520 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccccc2SC)CC1 ZINC000282887645 1125481328 /nfs/dbraw/zinc/48/13/28/1125481328.db2.gz WCFUUSJNDRFSRR-CYBMUJFWSA-N 2 1 278.465 3.543 20 0 CHADMP CCSc1cccc(CNCCC[N@@H+](C)C(C)C)c1 ZINC000349645834 1118899357 /nfs/dbraw/zinc/89/93/57/1118899357.db2.gz NCMPPVOOINVBMT-UHFFFAOYSA-N 2 1 280.481 3.619 20 0 CHADMP CCSc1cccc(C[NH2+]CCC[N@H+](C)C(C)C)c1 ZINC000349645834 1118899365 /nfs/dbraw/zinc/89/93/65/1118899365.db2.gz NCMPPVOOINVBMT-UHFFFAOYSA-N 2 1 280.481 3.619 20 0 CHADMP CCSc1cccc(C[NH2+]CCC[N@@H+](C)C(C)C)c1 ZINC000349645834 1118899371 /nfs/dbraw/zinc/89/93/71/1118899371.db2.gz NCMPPVOOINVBMT-UHFFFAOYSA-N 2 1 280.481 3.619 20 0 CHADMP Cc1nc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)sc1C ZINC000892584052 1119957942 /nfs/dbraw/zinc/95/79/42/1119957942.db2.gz GSYCAJHJTAECFP-ZDUSSCGKSA-N 2 1 295.496 3.504 20 0 CHADMP CCCC1CCC([N@@H+](C)CCCc2cncn2C)CC1 ZINC000584787494 1120447752 /nfs/dbraw/zinc/44/77/52/1120447752.db2.gz FKNKKDHKTPUTPO-UHFFFAOYSA-N 2 1 277.456 3.643 20 0 CHADMP c1csc(C[N@@H+](CCC[NH+]2CCCCC2)C2CC2)c1 ZINC000193467664 1120571380 /nfs/dbraw/zinc/57/13/80/1120571380.db2.gz KIOYOGSXZPZLBH-UHFFFAOYSA-N 2 1 278.465 3.589 20 0 CHADMP c1csc(C[N@H+](CCC[NH+]2CCCCC2)C2CC2)c1 ZINC000193467664 1120571382 /nfs/dbraw/zinc/57/13/82/1120571382.db2.gz KIOYOGSXZPZLBH-UHFFFAOYSA-N 2 1 278.465 3.589 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC001180058434 1121944061 /nfs/dbraw/zinc/94/40/61/1121944061.db2.gz RACNMFAEOHRJDP-DLBZAZTESA-N 2 1 280.500 3.867 20 0 CHADMP C[C@]1([NH3+])CCC[N@@H+](CCCC2CCCCC2)CC1 ZINC001205258018 1122212263 /nfs/dbraw/zinc/21/22/63/1122212263.db2.gz ZZIOWNZYHBXEQX-INIZCTEOSA-N 2 1 252.446 3.550 20 0 CHADMP CC1=CC[C@@H](CC[N@H+]2CCC[C@@](C)([NH3+])CC2)C1(C)C ZINC001205256095 1122206991 /nfs/dbraw/zinc/20/69/91/1122206991.db2.gz MYZUNZNHOYQTQA-DOTOQJQBSA-N 2 1 264.457 3.572 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)C2CCC(F)(F)CC2)C1 ZINC000474085265 1123423825 /nfs/dbraw/zinc/42/38/25/1123423825.db2.gz WTRABZBSVGHHEQ-KGLIPLIRSA-N 2 1 288.426 3.522 20 0 CHADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000873222797 1124752279 /nfs/dbraw/zinc/75/22/79/1124752279.db2.gz CKTJUNFLQZAMAH-AWEZNQCLSA-N 2 1 286.872 3.598 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1csc(Cl)c1 ZINC000300420926 1124904308 /nfs/dbraw/zinc/90/43/08/1124904308.db2.gz AFOJJYGNBGRASZ-UHTWSYAYSA-N 2 1 284.856 3.679 20 0 CHADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)C1CCCCC1 ZINC000532208440 1125241253 /nfs/dbraw/zinc/24/12/53/1125241253.db2.gz IJSSVBQMWIAKLU-PNBKFKSVSA-N 2 1 266.473 3.521 20 0 CHADMP CCCC[C@@H](CC(C)C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001173251008 1132421387 /nfs/dbraw/zinc/42/13/87/1132421387.db2.gz XLZDXFOZDUWJTC-SJORKVTESA-N 2 1 268.489 3.913 20 0 CHADMP CC[C@@H]1CC[C@H]([N@@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173272531 1132438040 /nfs/dbraw/zinc/43/80/40/1132438040.db2.gz VQSWWLWDTKWKBR-FPCVCCKLSA-N 2 1 252.446 3.545 20 0 CHADMP CCSc1cccc(C[N@@H+](C)C2CCC([NH3+])CC2)c1 ZINC000843054787 1132494246 /nfs/dbraw/zinc/49/42/46/1132494246.db2.gz HTEUBVCHCBMCNI-UHFFFAOYSA-N 2 1 278.465 3.500 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205537603 1133586094 /nfs/dbraw/zinc/58/60/94/1133586094.db2.gz INNPOXZYEQFCDX-JKSUJKDBSA-N 2 1 270.436 3.522 20 0 CHADMP CC(C)C(C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1)C(C)C ZINC001207783161 1133847727 /nfs/dbraw/zinc/84/77/27/1133847727.db2.gz BTRNSNYSZALIOM-BBWFWOEESA-N 2 1 280.500 3.577 20 0 CHADMP CSc1cc(C)ccc1C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000119274557 1125530978 /nfs/dbraw/zinc/53/09/78/1125530978.db2.gz LLDZLMIAFUHIBP-LZWOXQAQSA-N 2 1 292.492 3.535 20 0 CHADMP CSc1cc(C)ccc1C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000119274557 1125530986 /nfs/dbraw/zinc/53/09/86/1125530986.db2.gz LLDZLMIAFUHIBP-LZWOXQAQSA-N 2 1 292.492 3.535 20 0 CHADMP CC(C)[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000532770025 1125578350 /nfs/dbraw/zinc/57/83/50/1125578350.db2.gz QRAFOXPMYYSILZ-ROUUACIJSA-N 2 1 274.452 3.848 20 0 CHADMP Cc1nccn1CCC[N@H+]1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000348332928 1125591228 /nfs/dbraw/zinc/59/12/28/1125591228.db2.gz WSZHERKJVRKCAU-GOSISDBHSA-N 2 1 297.446 3.688 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000348332928 1125591237 /nfs/dbraw/zinc/59/12/37/1125591237.db2.gz WSZHERKJVRKCAU-GOSISDBHSA-N 2 1 297.446 3.688 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000348332928 1125591244 /nfs/dbraw/zinc/59/12/44/1125591244.db2.gz WSZHERKJVRKCAU-GOSISDBHSA-N 2 1 297.446 3.688 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](F)C2)cc1 ZINC000348335428 1125592650 /nfs/dbraw/zinc/59/26/50/1125592650.db2.gz QNZRNOKBPPZGMA-VBNZEHGJSA-N 2 1 287.382 3.722 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)o1 ZINC000246893776 1125649824 /nfs/dbraw/zinc/64/98/24/1125649824.db2.gz FMYMWMCDGNEQMZ-ZBFHGGJFSA-N 2 1 278.440 3.751 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000886119165 1125652380 /nfs/dbraw/zinc/65/23/80/1125652380.db2.gz ZLNKNJWXBSGJAX-SJORKVTESA-N 2 1 296.499 3.578 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000886119165 1125652382 /nfs/dbraw/zinc/65/23/82/1125652382.db2.gz ZLNKNJWXBSGJAX-SJORKVTESA-N 2 1 296.499 3.578 20 0 CHADMP Cc1cccc([C@@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)c1 ZINC000247317967 1125656308 /nfs/dbraw/zinc/65/63/08/1125656308.db2.gz RZODRXAVOQBMQC-MSOLQXFVSA-N 2 1 272.436 3.616 20 0 CHADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000248994698 1125677513 /nfs/dbraw/zinc/67/75/13/1125677513.db2.gz ONOATHOTTLMEGW-FZDIXFNVSA-N 2 1 284.447 3.570 20 0 CHADMP CC[N@@H+](CCCCCC[NH3+])Cc1ccccc1Cl ZINC000138542676 1125702974 /nfs/dbraw/zinc/70/29/74/1125702974.db2.gz UGVILZOVNCHOAM-UHFFFAOYSA-N 2 1 268.832 3.681 20 0 CHADMP Cc1[nH]c(C2CC[NH+](CCSC(C)(C)C)CC2)[nH+]c1C ZINC000886659174 1125703646 /nfs/dbraw/zinc/70/36/46/1125703646.db2.gz FHYHRVKCXLIBDS-UHFFFAOYSA-N 2 1 295.496 3.738 20 0 CHADMP Cc1[nH]c(C2CC[NH+](C/C=C/c3ccccc3)CC2)[nH+]c1C ZINC000886670843 1125705600 /nfs/dbraw/zinc/70/56/00/1125705600.db2.gz XEOXANONZFCZEO-RMKNXTFCSA-N 2 1 295.430 3.919 20 0 CHADMP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC000886716353 1125711954 /nfs/dbraw/zinc/71/19/54/1125711954.db2.gz WVXLTEKRFKNUMD-UHFFFAOYSA-N 2 1 290.426 3.606 20 0 CHADMP [NH3+]CC[C@@H]1CCC[N@H+](Cc2csc(Cl)c2Cl)C1 ZINC000261917294 1125747721 /nfs/dbraw/zinc/74/77/21/1125747721.db2.gz KBBFIXKRMGVCSV-VIFPVBQESA-N 2 1 293.263 3.616 20 0 CHADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2csc(Cl)c2Cl)C1 ZINC000261917294 1125747726 /nfs/dbraw/zinc/74/77/26/1125747726.db2.gz KBBFIXKRMGVCSV-VIFPVBQESA-N 2 1 293.263 3.616 20 0 CHADMP CCSc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CC)C2)cc1 ZINC000533785289 1125781721 /nfs/dbraw/zinc/78/17/21/1125781721.db2.gz RBHPTSYPZMIXRX-HUUCEWRRSA-N 2 1 292.492 3.791 20 0 CHADMP CCCc1ccc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)s1 ZINC000621717898 1129185322 /nfs/dbraw/zinc/18/53/22/1129185322.db2.gz RTBTYTPZSQGGQG-KGLIPLIRSA-N 2 1 280.481 3.615 20 0 CHADMP CCCc1ccc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000621717898 1129185326 /nfs/dbraw/zinc/18/53/26/1129185326.db2.gz RTBTYTPZSQGGQG-KGLIPLIRSA-N 2 1 280.481 3.615 20 0 CHADMP CCCc1ccc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000621717898 1129185328 /nfs/dbraw/zinc/18/53/28/1129185328.db2.gz RTBTYTPZSQGGQG-KGLIPLIRSA-N 2 1 280.481 3.615 20 0 CHADMP CCCc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)s1 ZINC000621717898 1129185331 /nfs/dbraw/zinc/18/53/31/1129185331.db2.gz RTBTYTPZSQGGQG-KGLIPLIRSA-N 2 1 280.481 3.615 20 0 CHADMP CCCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)s1 ZINC000621717898 1129185333 /nfs/dbraw/zinc/18/53/33/1129185333.db2.gz RTBTYTPZSQGGQG-KGLIPLIRSA-N 2 1 280.481 3.615 20 0 CHADMP CCCc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000621717898 1129185335 /nfs/dbraw/zinc/18/53/35/1129185335.db2.gz RTBTYTPZSQGGQG-KGLIPLIRSA-N 2 1 280.481 3.615 20 0 CHADMP CCCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000621717898 1129185338 /nfs/dbraw/zinc/18/53/38/1129185338.db2.gz RTBTYTPZSQGGQG-KGLIPLIRSA-N 2 1 280.481 3.615 20 0 CHADMP CC(C)C[C@H](Cc1ccccc1)[N@@H+](CCC[NH3+])C(C)C ZINC001169049950 1129692171 /nfs/dbraw/zinc/69/21/71/1129692171.db2.gz MFGIHVGOBWEVHK-GOSISDBHSA-N 2 1 276.468 3.703 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000667929275 1126706905 /nfs/dbraw/zinc/70/69/05/1126706905.db2.gz VXQQKWRJBPQXKL-MNEFBYGVSA-N 2 1 286.463 3.805 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000338008653 1126709226 /nfs/dbraw/zinc/70/92/26/1126709226.db2.gz RVGLKGJFNBMJIZ-MRXNPFEDSA-N 2 1 285.435 3.858 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CCc1ccc(C)cc1 ZINC000338010140 1126709922 /nfs/dbraw/zinc/70/99/22/1126709922.db2.gz XXJRJMCIRVPYHG-MRXNPFEDSA-N 2 1 285.435 3.501 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1 ZINC000481731340 1126709943 /nfs/dbraw/zinc/70/99/43/1126709943.db2.gz DXYYMNRZRZMQDN-XJKSGUPXSA-N 2 1 294.870 3.547 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000338010467 1126710169 /nfs/dbraw/zinc/71/01/69/1126710169.db2.gz DPKIRXCGVXFMGJ-INIZCTEOSA-N 2 1 289.810 3.512 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCc2c(C)ccc(C)c21 ZINC000338016556 1126710669 /nfs/dbraw/zinc/71/06/69/1126710669.db2.gz GITMWPWLOPMKEO-GOSISDBHSA-N 2 1 297.446 3.866 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)C[C@@H](C)CC(C)C ZINC000338014404 1126710710 /nfs/dbraw/zinc/71/07/10/1126710710.db2.gz GUMYDTZDWOYIQR-GJZGRUSLSA-N 2 1 265.445 3.632 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000136393392 1126727029 /nfs/dbraw/zinc/72/70/29/1126727029.db2.gz ZUVAUJVGRIGMFK-MRXNPFEDSA-N 2 1 287.407 3.792 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000136393392 1126727032 /nfs/dbraw/zinc/72/70/32/1126727032.db2.gz ZUVAUJVGRIGMFK-MRXNPFEDSA-N 2 1 287.407 3.792 20 0 CHADMP Cc1cc2[nH]c(CN(C)C[C@@H]3CCC[N@@H+](C)C3)cc2c(C)c1 ZINC000481905876 1126733386 /nfs/dbraw/zinc/73/33/86/1126733386.db2.gz BFIQJZRYJFCSOT-MRXNPFEDSA-N 2 1 299.462 3.558 20 0 CHADMP Cc1cc2[nH]c(C[N@H+](C)C[C@@H]3CCC[NH+](C)C3)cc2c(C)c1 ZINC000481905876 1126733389 /nfs/dbraw/zinc/73/33/89/1126733389.db2.gz BFIQJZRYJFCSOT-MRXNPFEDSA-N 2 1 299.462 3.558 20 0 CHADMP Cc1cc2[nH]c(C[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)cc2c(C)c1 ZINC000481905876 1126733394 /nfs/dbraw/zinc/73/33/94/1126733394.db2.gz BFIQJZRYJFCSOT-MRXNPFEDSA-N 2 1 299.462 3.558 20 0 CHADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000481955690 1126735417 /nfs/dbraw/zinc/73/54/17/1126735417.db2.gz WXFCLZTXXPWFSU-GJZGRUSLSA-N 2 1 286.419 3.937 20 0 CHADMP CCCc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)c1 ZINC000481990502 1126737888 /nfs/dbraw/zinc/73/78/88/1126737888.db2.gz LXWVEVPZLWFYJC-QFBILLFUSA-N 2 1 288.479 3.944 20 0 CHADMP CCCc1cccc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC000481990502 1126737890 /nfs/dbraw/zinc/73/78/90/1126737890.db2.gz LXWVEVPZLWFYJC-QFBILLFUSA-N 2 1 288.479 3.944 20 0 CHADMP CCCc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)c1 ZINC000481990502 1126737894 /nfs/dbraw/zinc/73/78/94/1126737894.db2.gz LXWVEVPZLWFYJC-QFBILLFUSA-N 2 1 288.479 3.944 20 0 CHADMP Cc1cc2[nH]c(C[NH+](C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2c(C)c1 ZINC000482007840 1126739251 /nfs/dbraw/zinc/73/92/51/1126739251.db2.gz KQTLNCRSNIXUGV-DOTOQJQBSA-N 2 1 299.462 3.699 20 0 CHADMP Cc1cc2[nH]c(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2c(C)c1 ZINC000482007840 1126739252 /nfs/dbraw/zinc/73/92/52/1126739252.db2.gz KQTLNCRSNIXUGV-DOTOQJQBSA-N 2 1 299.462 3.699 20 0 CHADMP Cc1cc2[nH]c(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)cc2c(C)c1 ZINC000482007840 1126739255 /nfs/dbraw/zinc/73/92/55/1126739255.db2.gz KQTLNCRSNIXUGV-DOTOQJQBSA-N 2 1 299.462 3.699 20 0 CHADMP Cc1cc2[nH]c(C[N@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)cc2c(C)c1 ZINC000482007840 1126739257 /nfs/dbraw/zinc/73/92/57/1126739257.db2.gz KQTLNCRSNIXUGV-DOTOQJQBSA-N 2 1 299.462 3.699 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)s1 ZINC000483127230 1126768862 /nfs/dbraw/zinc/76/88/62/1126768862.db2.gz MLVNSZDCZQDAIG-SRVKXCTJSA-N 2 1 286.872 3.925 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)s1 ZINC000483127230 1126768865 /nfs/dbraw/zinc/76/88/65/1126768865.db2.gz MLVNSZDCZQDAIG-SRVKXCTJSA-N 2 1 286.872 3.925 20 0 CHADMP C[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000483135681 1126769240 /nfs/dbraw/zinc/76/92/40/1126769240.db2.gz GKNYMUPTEFATOJ-NQNKBUKLSA-N 2 1 266.473 3.521 20 0 CHADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000483222078 1126773405 /nfs/dbraw/zinc/77/34/05/1126773405.db2.gz SRAAAHIHCBFWPP-WMZOPIPTSA-N 2 1 286.463 3.720 20 0 CHADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000483222078 1126773407 /nfs/dbraw/zinc/77/34/07/1126773407.db2.gz SRAAAHIHCBFWPP-WMZOPIPTSA-N 2 1 286.463 3.720 20 0 CHADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000483222078 1126773411 /nfs/dbraw/zinc/77/34/11/1126773411.db2.gz SRAAAHIHCBFWPP-WMZOPIPTSA-N 2 1 286.463 3.720 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC2CCCCC2)[C@@H](C)C1 ZINC000483252911 1126775957 /nfs/dbraw/zinc/77/59/57/1126775957.db2.gz ARXCEEFCCHOFSB-DOTOQJQBSA-N 2 1 266.473 3.619 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC2CCCCC2)[C@@H](C)C1 ZINC000483252911 1126775962 /nfs/dbraw/zinc/77/59/62/1126775962.db2.gz ARXCEEFCCHOFSB-DOTOQJQBSA-N 2 1 266.473 3.619 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC2CCCCC2)[C@@H](C)C1 ZINC000483252911 1126775967 /nfs/dbraw/zinc/77/59/67/1126775967.db2.gz ARXCEEFCCHOFSB-DOTOQJQBSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H]1CCC[C@H](CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000483504738 1126789897 /nfs/dbraw/zinc/78/98/97/1126789897.db2.gz OFFIKGWKQKRWSQ-BRSBDYLESA-N 2 1 278.484 3.619 20 0 CHADMP CC[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)s2)CC[C@H]1[NH3+] ZINC000251757866 1126794974 /nfs/dbraw/zinc/79/49/74/1126794974.db2.gz LTAYBIVQGPLEFL-GXTWGEPZSA-N 2 1 280.481 3.605 20 0 CHADMP COc1cccc([C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)c1 ZINC000483867478 1126804143 /nfs/dbraw/zinc/80/41/43/1126804143.db2.gz FSFOSKCJBSTTDT-INIZCTEOSA-N 2 1 292.467 3.855 20 0 CHADMP c1c2ccccc2[nH]c1[C@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000178972408 1126821862 /nfs/dbraw/zinc/82/18/62/1126821862.db2.gz YTDJKMKNEQFKAW-LJQANCHMSA-N 2 1 297.446 3.695 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c(C)oc2ccccc21 ZINC000179004689 1126822030 /nfs/dbraw/zinc/82/20/30/1126822030.db2.gz OAWTXNXFENXBIM-ZDUSSCGKSA-N 2 1 297.402 3.672 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000178701935 1126818255 /nfs/dbraw/zinc/81/82/55/1126818255.db2.gz YVOGGFTXRLNRLT-OLZOCXBDSA-N 2 1 291.826 3.832 20 0 CHADMP C[C@@H](c1ccccc1Cl)[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000904306695 1126844093 /nfs/dbraw/zinc/84/40/93/1126844093.db2.gz CZCNTXGZXLNOEH-RWMBFGLXSA-N 2 1 278.827 3.603 20 0 CHADMP [NH3+][C@H]1C[C@@H](C[N@H+]2Cc3ccccc3C[C@H]2c2ccccc2)C1 ZINC000904322605 1126845995 /nfs/dbraw/zinc/84/59/95/1126845995.db2.gz FHCDKJMDUNNRSY-BEVDRBHNSA-N 2 1 292.426 3.523 20 0 CHADMP CC(C)(C)[NH+]1CCC([NH+]2CCC(C(F)(F)F)CC2)CC1 ZINC001256569840 1130676411 /nfs/dbraw/zinc/67/64/11/1130676411.db2.gz QCYQSPIRNXNXAK-UHFFFAOYSA-N 2 1 292.389 3.524 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1cccc(F)c1 ZINC000187957832 1126918004 /nfs/dbraw/zinc/91/80/04/1126918004.db2.gz BGZUZCVIXRNBCZ-CXAGYDPISA-N 2 1 289.398 3.708 20 0 CHADMP C[C@H](CC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000191085001 1126947041 /nfs/dbraw/zinc/94/70/41/1126947041.db2.gz JOQSINBKUHGTRE-RYRKJORJSA-N 2 1 274.452 3.595 20 0 CHADMP C[C@H](CC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000191085001 1126947043 /nfs/dbraw/zinc/94/70/43/1126947043.db2.gz JOQSINBKUHGTRE-RYRKJORJSA-N 2 1 274.452 3.595 20 0 CHADMP C[C@H](CC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000191085001 1126947044 /nfs/dbraw/zinc/94/70/44/1126947044.db2.gz JOQSINBKUHGTRE-RYRKJORJSA-N 2 1 274.452 3.595 20 0 CHADMP C[C@H](CC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000191085001 1126947047 /nfs/dbraw/zinc/94/70/47/1126947047.db2.gz JOQSINBKUHGTRE-RYRKJORJSA-N 2 1 274.452 3.595 20 0 CHADMP Cc1ccc2cc(C[NH+]3CCC([NH2+]C(C)C)CC3)ccc2n1 ZINC000191301425 1126950550 /nfs/dbraw/zinc/95/05/50/1126950550.db2.gz JQLYDRGOYONIFU-UHFFFAOYSA-N 2 1 297.446 3.506 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cs2)[C@H](C)C1 ZINC000194411912 1126974961 /nfs/dbraw/zinc/97/49/61/1126974961.db2.gz RAIFDVOOYIDUHE-BXUZGUMPSA-N 2 1 286.872 3.564 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cs2)[C@H](C)C1 ZINC000194411912 1126974964 /nfs/dbraw/zinc/97/49/64/1126974964.db2.gz RAIFDVOOYIDUHE-BXUZGUMPSA-N 2 1 286.872 3.564 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)cs2)[C@H](C)C1 ZINC000194411912 1126974968 /nfs/dbraw/zinc/97/49/68/1126974968.db2.gz RAIFDVOOYIDUHE-BXUZGUMPSA-N 2 1 286.872 3.564 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cs2)[C@H](C)C1 ZINC000194411912 1126974971 /nfs/dbraw/zinc/97/49/71/1126974971.db2.gz RAIFDVOOYIDUHE-BXUZGUMPSA-N 2 1 286.872 3.564 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cs2)[C@H](C)C1 ZINC000194411901 1126975009 /nfs/dbraw/zinc/97/50/09/1126975009.db2.gz RAIFDVOOYIDUHE-RISCZKNCSA-N 2 1 286.872 3.564 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cs2)[C@H](C)C1 ZINC000194411901 1126975010 /nfs/dbraw/zinc/97/50/10/1126975010.db2.gz RAIFDVOOYIDUHE-RISCZKNCSA-N 2 1 286.872 3.564 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)cs2)[C@H](C)C1 ZINC000194411901 1126975014 /nfs/dbraw/zinc/97/50/14/1126975014.db2.gz RAIFDVOOYIDUHE-RISCZKNCSA-N 2 1 286.872 3.564 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)cs2)[C@H](C)C1 ZINC000194411901 1126975015 /nfs/dbraw/zinc/97/50/15/1126975015.db2.gz RAIFDVOOYIDUHE-RISCZKNCSA-N 2 1 286.872 3.564 20 0 CHADMP CSc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000194838640 1126976810 /nfs/dbraw/zinc/97/68/10/1126976810.db2.gz AURZNBDQHRMQSZ-CYBMUJFWSA-N 2 1 290.476 3.686 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(F)c(F)c1 ZINC000266842692 1126988174 /nfs/dbraw/zinc/98/81/74/1126988174.db2.gz HATSOFPASBXBQT-GFCCVEGCSA-N 2 1 294.389 3.632 20 0 CHADMP CCC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccccc1 ZINC000268780675 1127023310 /nfs/dbraw/zinc/02/33/10/1127023310.db2.gz CWQUHHHJQJZVSY-QGZVFWFLSA-N 2 1 271.408 3.713 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000268912995 1127027741 /nfs/dbraw/zinc/02/77/41/1127027741.db2.gz ZFQDFDMYKOKQCD-SNVBAGLBSA-N 2 1 283.828 3.647 20 0 CHADMP C[C@H](CCc1ccsc1)[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001320257224 1127037917 /nfs/dbraw/zinc/03/79/17/1127037917.db2.gz BIBIHBGBXIXROI-FVQBIDKESA-N 2 1 280.481 3.532 20 0 CHADMP C[C@H](CCc1ccsc1)[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001320257261 1127038176 /nfs/dbraw/zinc/03/81/76/1127038176.db2.gz BIBIHBGBXIXROI-VNQPRFMTSA-N 2 1 280.481 3.532 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CC2)CC2CCCCC2)CC1 ZINC001236550120 1130973749 /nfs/dbraw/zinc/97/37/49/1130973749.db2.gz DPTDCIBKOIUOHK-QAQDUYKDSA-N 2 1 264.457 3.549 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2CCC2)CCN1Cc1ccccc1 ZINC000488006712 1127051848 /nfs/dbraw/zinc/05/18/48/1127051848.db2.gz GRMOARPSEXNRDI-APWZRJJASA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)CC2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000488006712 1127051851 /nfs/dbraw/zinc/05/18/51/1127051851.db2.gz GRMOARPSEXNRDI-APWZRJJASA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)CC2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000488006712 1127051855 /nfs/dbraw/zinc/05/18/55/1127051855.db2.gz GRMOARPSEXNRDI-APWZRJJASA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H]1C[C@@H]([N@H+](C)CC2CCC2)CC[NH+]1Cc1ccccc1 ZINC000488006712 1127051859 /nfs/dbraw/zinc/05/18/59/1127051859.db2.gz GRMOARPSEXNRDI-APWZRJJASA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2CCC2)CC[NH+]1Cc1ccccc1 ZINC000488006712 1127051863 /nfs/dbraw/zinc/05/18/63/1127051863.db2.gz GRMOARPSEXNRDI-APWZRJJASA-N 2 1 286.463 3.771 20 0 CHADMP Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CCn2cc[nH+]c2C)o1 ZINC000270910288 1127063305 /nfs/dbraw/zinc/06/33/05/1127063305.db2.gz SSYDZDLHALOBSF-CJNGLKHVSA-N 2 1 287.407 3.566 20 0 CHADMP Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CCn2cc[nH+]c2C)o1 ZINC000270910288 1127063309 /nfs/dbraw/zinc/06/33/09/1127063309.db2.gz SSYDZDLHALOBSF-CJNGLKHVSA-N 2 1 287.407 3.566 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](c1ccccc1)C(C)C ZINC000270919579 1127064006 /nfs/dbraw/zinc/06/40/06/1127064006.db2.gz UXFGGLQWCXPRRJ-QGZVFWFLSA-N 2 1 271.408 3.521 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](c1ccccc1)C(C)C ZINC000270919579 1127064008 /nfs/dbraw/zinc/06/40/08/1127064008.db2.gz UXFGGLQWCXPRRJ-QGZVFWFLSA-N 2 1 271.408 3.521 20 0 CHADMP CN1CCC([N@@H+](CCC(C)(C)C)Cc2ccco2)CC1 ZINC000349275414 1127145538 /nfs/dbraw/zinc/14/55/38/1127145538.db2.gz HMGYZBGJTPLHSJ-UHFFFAOYSA-N 2 1 278.440 3.612 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1cccc2cc[nH]c21 ZINC000349411754 1127149831 /nfs/dbraw/zinc/14/98/31/1127149831.db2.gz AQTZESZZELQAGM-UHFFFAOYSA-N 2 1 287.451 3.722 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCC2CCC2)CC1 ZINC000659876730 1127178255 /nfs/dbraw/zinc/17/82/55/1127178255.db2.gz MOZIQWIGWCEOPT-UHFFFAOYSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C/C=C/c2ccccc2)C1 ZINC000588177768 1127180326 /nfs/dbraw/zinc/18/03/26/1127180326.db2.gz FSTLLNRSGGAQGK-VENPAZGISA-N 2 1 286.463 3.657 20 0 CHADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000351229141 1127187443 /nfs/dbraw/zinc/18/74/43/1127187443.db2.gz QICBDRILVRYFSV-HZPDHXFCSA-N 2 1 278.440 3.785 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000351229141 1127187444 /nfs/dbraw/zinc/18/74/44/1127187444.db2.gz QICBDRILVRYFSV-HZPDHXFCSA-N 2 1 278.440 3.785 20 0 CHADMP C[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000284960737 1127214025 /nfs/dbraw/zinc/21/40/25/1127214025.db2.gz FLOOTOHLQVHKLN-VNCLNFNDSA-N 2 1 286.463 3.818 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000646117954 1127301982 /nfs/dbraw/zinc/30/19/82/1127301982.db2.gz BUEOROLNWVHFFY-OALUTQOASA-N 2 1 296.458 3.864 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000646117954 1127301984 /nfs/dbraw/zinc/30/19/84/1127301984.db2.gz BUEOROLNWVHFFY-OALUTQOASA-N 2 1 296.458 3.864 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000646117954 1127301986 /nfs/dbraw/zinc/30/19/86/1127301986.db2.gz BUEOROLNWVHFFY-OALUTQOASA-N 2 1 296.458 3.864 20 0 CHADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1SC(C)(C)C ZINC000817980715 1131194563 /nfs/dbraw/zinc/19/45/63/1131194563.db2.gz WPJJVGQWPXSVIV-QWHCGFSZSA-N 2 1 280.481 3.965 20 0 CHADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358517959 1127425368 /nfs/dbraw/zinc/42/53/68/1127425368.db2.gz QOUMHVLGCYLKIY-GFCCVEGCSA-N 2 1 296.817 3.616 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000359278174 1127456405 /nfs/dbraw/zinc/45/64/05/1127456405.db2.gz FIVFVMAIKANPKT-OAHLLOKOSA-N 2 1 278.440 3.615 20 0 CHADMP C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3ccc(-n4ccnc4)cc3)C2)C1 ZINC000359295920 1127457560 /nfs/dbraw/zinc/45/75/60/1127457560.db2.gz IGWZMIBVKAXSEH-VQIMIIECSA-N 2 1 295.430 3.884 20 0 CHADMP Cc1nc(C(C)C)sc1[C@@H](C)NCCC[N@H+](C)C(C)C ZINC000359639333 1127470959 /nfs/dbraw/zinc/47/09/59/1127470959.db2.gz KOEOTEAWVJAPCL-CYBMUJFWSA-N 2 1 297.512 3.956 20 0 CHADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000359639333 1127470960 /nfs/dbraw/zinc/47/09/60/1127470960.db2.gz KOEOTEAWVJAPCL-CYBMUJFWSA-N 2 1 297.512 3.956 20 0 CHADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000359639333 1127470961 /nfs/dbraw/zinc/47/09/61/1127470961.db2.gz KOEOTEAWVJAPCL-CYBMUJFWSA-N 2 1 297.512 3.956 20 0 CHADMP Cc1ccc2c(c1)OCCC[C@@H]2NCCC[N@H+](C)C(C)C ZINC000359645215 1127471512 /nfs/dbraw/zinc/47/15/12/1127471512.db2.gz SBSMGWFCQTWPNT-KRWDZBQOSA-N 2 1 290.451 3.529 20 0 CHADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC[N@@H+](C)C(C)C ZINC000359645215 1127471514 /nfs/dbraw/zinc/47/15/14/1127471514.db2.gz SBSMGWFCQTWPNT-KRWDZBQOSA-N 2 1 290.451 3.529 20 0 CHADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC[N@H+](C)C(C)C ZINC000359645215 1127471515 /nfs/dbraw/zinc/47/15/15/1127471515.db2.gz SBSMGWFCQTWPNT-KRWDZBQOSA-N 2 1 290.451 3.529 20 0 CHADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccsc2Cl)c1 ZINC000359975026 1127485646 /nfs/dbraw/zinc/48/56/46/1127485646.db2.gz JFGAQKTXQMTJSH-UHFFFAOYSA-N 2 1 294.851 3.753 20 0 CHADMP CCSc1ccccc1[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000360861187 1127515589 /nfs/dbraw/zinc/51/55/89/1127515589.db2.gz REEFVWWOOLOLOM-KBPBESRZSA-N 2 1 280.481 3.789 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](c3ccccc3F)C2)CC[N@@H+]1C ZINC000360920230 1127520131 /nfs/dbraw/zinc/52/01/31/1127520131.db2.gz OUYQOCQKLYLVTE-QKPAOTATSA-N 2 1 290.426 3.534 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](c3ccccc3F)C2)CC[N@H+]1C ZINC000360920230 1127520134 /nfs/dbraw/zinc/52/01/34/1127520134.db2.gz OUYQOCQKLYLVTE-QKPAOTATSA-N 2 1 290.426 3.534 20 0 CHADMP Cc1nc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000361080213 1127536150 /nfs/dbraw/zinc/53/61/50/1127536150.db2.gz NDHOLQDOGRNYGC-KGLIPLIRSA-N 2 1 295.496 3.614 20 0 CHADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000361711645 1127583924 /nfs/dbraw/zinc/58/39/24/1127583924.db2.gz KZFAVRHFCJZYOQ-LJQANCHMSA-N 2 1 295.430 3.945 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1F ZINC000361972070 1127603813 /nfs/dbraw/zinc/60/38/13/1127603813.db2.gz OZKDZHJBFNPUBM-KEYYUXOJSA-N 2 1 296.405 3.878 20 0 CHADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000682375728 1127644180 /nfs/dbraw/zinc/64/41/80/1127644180.db2.gz MSXQQNWEAYGVIE-ICUGJSFKSA-N 2 1 278.484 3.664 20 0 CHADMP C[C@H]([NH2+]CCC(C)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295584909 1127646954 /nfs/dbraw/zinc/64/69/54/1127646954.db2.gz BQONSQKKPWLTJH-GOEBONIOSA-N 2 1 296.405 3.532 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2ccsc2)C1 ZINC000295917405 1127657294 /nfs/dbraw/zinc/65/72/94/1127657294.db2.gz JNADLDQYLVOZHD-ZFWWWQNUSA-N 2 1 266.454 3.521 20 0 CHADMP c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000659947137 1127671389 /nfs/dbraw/zinc/67/13/89/1127671389.db2.gz JIZIDXCSYDUTEJ-IEBWSBKVSA-N 2 1 298.474 3.524 20 0 CHADMP Cc1cc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)cs1 ZINC000297864185 1127710218 /nfs/dbraw/zinc/71/02/18/1127710218.db2.gz UGEAWDYQEUHGPP-ZDUSSCGKSA-N 2 1 277.437 3.692 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cs1 ZINC000297928849 1127712665 /nfs/dbraw/zinc/71/26/65/1127712665.db2.gz XLTTVPNZZLNQDA-DGCLKSJQSA-N 2 1 277.437 3.548 20 0 CHADMP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000366261723 1127743963 /nfs/dbraw/zinc/74/39/63/1127743963.db2.gz WKQAGAMFEQTAEZ-YTQUADARSA-N 2 1 286.463 3.533 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000371752138 1127777728 /nfs/dbraw/zinc/77/77/28/1127777728.db2.gz FHHQEOJXNOBDSZ-IBGZPJMESA-N 2 1 297.446 3.770 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000371752138 1127777730 /nfs/dbraw/zinc/77/77/30/1127777730.db2.gz FHHQEOJXNOBDSZ-IBGZPJMESA-N 2 1 297.446 3.770 20 0 CHADMP CC(C)(C)CCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000410384276 1127807756 /nfs/dbraw/zinc/80/77/56/1127807756.db2.gz PYQYJHXHGZLOQD-INIZCTEOSA-N 2 1 266.473 3.763 20 0 CHADMP C[N@@H+]1CCC[C@H](C[NH2+]CC(C)(C)C)[C@@H]1c1cccs1 ZINC000608059386 1127842414 /nfs/dbraw/zinc/84/24/14/1127842414.db2.gz CQAVFAFIQKNVKE-UKRRQHHQSA-N 2 1 280.481 3.767 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+]CC(C)(C)C)[C@@H]1c1cccs1 ZINC000608059386 1127842418 /nfs/dbraw/zinc/84/24/18/1127842418.db2.gz CQAVFAFIQKNVKE-UKRRQHHQSA-N 2 1 280.481 3.767 20 0 CHADMP C[C@@H](C[NH+]1C[C@@H](C)CC[C@H]1C)C[N@H+]1C[C@H](C)CC[C@@H]1C ZINC000608578140 1127878300 /nfs/dbraw/zinc/87/83/00/1127878300.db2.gz RVCDRMQGJOEAHB-IJTOGUNISA-N 2 1 280.500 3.863 20 0 CHADMP C[C@H](C[NH+]1C[C@H](C)CC[C@@H]1C)C[N@@H+]1C[C@@H](C)CC[C@H]1C ZINC000608578140 1127878304 /nfs/dbraw/zinc/87/83/04/1127878304.db2.gz RVCDRMQGJOEAHB-IJTOGUNISA-N 2 1 280.500 3.863 20 0 CHADMP C[C@H](C[NH+]1C[C@H](C)CC[C@@H]1C)C[N@H+]1C[C@@H](C)CC[C@H]1C ZINC000608578140 1127878308 /nfs/dbraw/zinc/87/83/08/1127878308.db2.gz RVCDRMQGJOEAHB-IJTOGUNISA-N 2 1 280.500 3.863 20 0 CHADMP C[C@@H](C[NH+]1C[C@H](C)CC[C@H]1C)C[N@H+]1C[C@H](C)CC[C@@H]1C ZINC000608578139 1127878661 /nfs/dbraw/zinc/87/86/61/1127878661.db2.gz RVCDRMQGJOEAHB-HSFUPAIVSA-N 2 1 280.500 3.863 20 0 CHADMP C[C@H](C[NH+]1C[C@H](C)CC[C@@H]1C)C[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000608578139 1127878663 /nfs/dbraw/zinc/87/86/63/1127878663.db2.gz RVCDRMQGJOEAHB-HSFUPAIVSA-N 2 1 280.500 3.863 20 0 CHADMP C[C@H](C[NH+]1C[C@H](C)CC[C@@H]1C)C[N@H+]1C[C@H](C)CC[C@H]1C ZINC000608578139 1127878666 /nfs/dbraw/zinc/87/86/66/1127878666.db2.gz RVCDRMQGJOEAHB-HSFUPAIVSA-N 2 1 280.500 3.863 20 0 CHADMP CC(C)(C[NH2+]C[C@@H]1C[C@H]1c1ccccc1)[NH+]1CCCCC1 ZINC000539406194 1127921752 /nfs/dbraw/zinc/92/17/52/1127921752.db2.gz ZUYCAENRFXVKEL-ROUUACIJSA-N 2 1 286.463 3.644 20 0 CHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cccc2ccccc21 ZINC000400434130 1127929027 /nfs/dbraw/zinc/92/90/27/1127929027.db2.gz KUEYDEJUNIQVAP-DEYYWGMASA-N 2 1 268.404 3.631 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccnc3ccccc23)C[C@H]1C ZINC000539816844 1127941908 /nfs/dbraw/zinc/94/19/08/1127941908.db2.gz HAJOTDHWUJYASV-WBVHZDCISA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccnc3ccccc23)C[C@H]1C ZINC000539816844 1127941912 /nfs/dbraw/zinc/94/19/12/1127941912.db2.gz HAJOTDHWUJYASV-WBVHZDCISA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccnc3ccccc23)C[C@H]1C ZINC000539816844 1127941915 /nfs/dbraw/zinc/94/19/15/1127941915.db2.gz HAJOTDHWUJYASV-WBVHZDCISA-N 2 1 297.446 3.539 20 0 CHADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(Cl)cc2F)CC1 ZINC000375474501 1127945194 /nfs/dbraw/zinc/94/51/94/1127945194.db2.gz RPHZYJVBGIVHSK-UHFFFAOYSA-N 2 1 296.817 3.539 20 0 CHADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(Cl)cc2F)CC1 ZINC000375474501 1127945198 /nfs/dbraw/zinc/94/51/98/1127945198.db2.gz RPHZYJVBGIVHSK-UHFFFAOYSA-N 2 1 296.817 3.539 20 0 CHADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000540147245 1127963426 /nfs/dbraw/zinc/96/34/26/1127963426.db2.gz HUZCLOZOELOZCM-ZACQAIPSSA-N 2 1 266.473 3.523 20 0 CHADMP CCc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@H+](CC)C2)C(C)C)cc1 ZINC000540259193 1127971867 /nfs/dbraw/zinc/97/18/67/1127971867.db2.gz ONPUGBHIWUKNPA-HKUYNNGSSA-N 2 1 288.479 3.878 20 0 CHADMP C[C@@H](CC[N@@H+](C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000467517045 1127972408 /nfs/dbraw/zinc/97/24/08/1127972408.db2.gz RJVFGOHFCJHJBT-KRWDZBQOSA-N 2 1 274.452 3.598 20 0 CHADMP C[C@H](CC1CCCCC1)C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000544600487 1127978160 /nfs/dbraw/zinc/97/81/60/1127978160.db2.gz YJYFRODXESXMEJ-NXHRZFHOSA-N 2 1 278.484 3.619 20 0 CHADMP C[C@H](CC1CCCCC1)C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000544600487 1127978163 /nfs/dbraw/zinc/97/81/63/1127978163.db2.gz YJYFRODXESXMEJ-NXHRZFHOSA-N 2 1 278.484 3.619 20 0 CHADMP C[C@H](CC1CCCCC1)C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000544600487 1127978167 /nfs/dbraw/zinc/97/81/67/1127978167.db2.gz YJYFRODXESXMEJ-NXHRZFHOSA-N 2 1 278.484 3.619 20 0 CHADMP C[C@H](CC1CCCCC1)C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000544600487 1127978171 /nfs/dbraw/zinc/97/81/71/1127978171.db2.gz YJYFRODXESXMEJ-NXHRZFHOSA-N 2 1 278.484 3.619 20 0 CHADMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000540588692 1127986172 /nfs/dbraw/zinc/98/61/72/1127986172.db2.gz AHZOVVNCHJWMLM-ZWKOTPCHSA-N 2 1 272.436 3.602 20 0 CHADMP CC(C)[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(Cl)cc1 ZINC000540607791 1127986775 /nfs/dbraw/zinc/98/67/75/1127986775.db2.gz MSCYNWXHLKSCPR-QGZVFWFLSA-N 2 1 292.854 3.889 20 0 CHADMP CC(C)[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc2ccccc2o1 ZINC000540656454 1127988118 /nfs/dbraw/zinc/98/81/18/1127988118.db2.gz NZJPPQMFARSXCB-IBGZPJMESA-N 2 1 298.430 3.981 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)C1CCCCCC1 ZINC000541566248 1128027465 /nfs/dbraw/zinc/02/74/65/1128027465.db2.gz QJZSFCRXYZUFCH-GJZGRUSLSA-N 2 1 277.456 3.776 20 0 CHADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC000541556122 1128028034 /nfs/dbraw/zinc/02/80/34/1128028034.db2.gz CSYFWWNMXLHFII-CGZBRXJRSA-N 2 1 280.500 3.722 20 0 CHADMP CC(C)c1ccc(CC[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000468950550 1128029312 /nfs/dbraw/zinc/02/93/12/1128029312.db2.gz KAKFWOSEBWMMGD-GOSISDBHSA-N 2 1 288.479 3.626 20 0 CHADMP CC(C)c1ccc(CC[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000468950550 1128029316 /nfs/dbraw/zinc/02/93/16/1128029316.db2.gz KAKFWOSEBWMMGD-GOSISDBHSA-N 2 1 288.479 3.626 20 0 CHADMP CC(C)c1ccc(CC[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000468950550 1128029321 /nfs/dbraw/zinc/02/93/21/1128029321.db2.gz KAKFWOSEBWMMGD-GOSISDBHSA-N 2 1 288.479 3.626 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@@H](c2ccc(C)o2)C2CCC2)CC1 ZINC000541748329 1128035878 /nfs/dbraw/zinc/03/58/78/1128035878.db2.gz KHFDYAGDABHZCL-GOSISDBHSA-N 2 1 290.451 3.893 20 0 CHADMP Cc1ccc([C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C2CCC2)o1 ZINC000541744116 1128036699 /nfs/dbraw/zinc/03/66/99/1128036699.db2.gz CKICYLBPRVCLGJ-KBXCAEBGSA-N 2 1 288.435 3.503 20 0 CHADMP Cc1ccc([C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C2CCC2)o1 ZINC000541744116 1128036704 /nfs/dbraw/zinc/03/67/04/1128036704.db2.gz CKICYLBPRVCLGJ-KBXCAEBGSA-N 2 1 288.435 3.503 20 0 CHADMP CCc1cccc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC000469732140 1128051694 /nfs/dbraw/zinc/05/16/94/1128051694.db2.gz YXZBZIQSXMPMEM-YJBOKZPZSA-N 2 1 274.452 3.554 20 0 CHADMP CCc1cccc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)c1 ZINC000469732140 1128051697 /nfs/dbraw/zinc/05/16/97/1128051697.db2.gz YXZBZIQSXMPMEM-YJBOKZPZSA-N 2 1 274.452 3.554 20 0 CHADMP CCc1cccc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)c1 ZINC000469732140 1128051702 /nfs/dbraw/zinc/05/17/02/1128051702.db2.gz YXZBZIQSXMPMEM-YJBOKZPZSA-N 2 1 274.452 3.554 20 0 CHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3C)c2)C1 ZINC000469995155 1128061814 /nfs/dbraw/zinc/06/18/14/1128061814.db2.gz WSZBGWZWNIDPHE-SFHVURJKSA-N 2 1 294.442 3.703 20 0 CHADMP Cc1ccccc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000469991652 1128061858 /nfs/dbraw/zinc/06/18/58/1128061858.db2.gz NCGPMTWWBNVFAO-OXQOHEQNSA-N 2 1 294.442 3.831 20 0 CHADMP CC(C)c1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000470103641 1128063175 /nfs/dbraw/zinc/06/31/75/1128063175.db2.gz GXGBBELPGMIIQX-RTBURBONSA-N 2 1 286.463 3.569 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C(C)C)C2)[C@H](C)C1 ZINC000470167243 1128064127 /nfs/dbraw/zinc/06/41/27/1128064127.db2.gz NVGUDXRGVXBQDD-TWMKSMIVSA-N 2 1 266.473 3.521 20 0 CHADMP CCCC[C@H](CC)CC[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000557097211 1128091272 /nfs/dbraw/zinc/09/12/72/1128091272.db2.gz JERUDVZUEWCMNY-DLBZAZTESA-N 2 1 268.489 3.913 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2csc3ccccc23)C1 ZINC000924707956 1128110733 /nfs/dbraw/zinc/11/07/33/1128110733.db2.gz WJJYADZWNDWKRL-UONOGXRCSA-N 2 1 288.460 3.894 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1c(C)oc2ccccc21 ZINC000924874675 1128115492 /nfs/dbraw/zinc/11/54/92/1128115492.db2.gz UXWWSEBCSGZWDZ-GFCCVEGCSA-N 2 1 283.375 3.597 20 0 CHADMP CCC[C@H](CC)[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001257265394 1128124383 /nfs/dbraw/zinc/12/43/83/1128124383.db2.gz DKUKURJLVAMKOM-ULQDDVLXSA-N 2 1 266.473 3.904 20 0 CHADMP CCC[C@H](CC)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001257265394 1128124384 /nfs/dbraw/zinc/12/43/84/1128124384.db2.gz DKUKURJLVAMKOM-ULQDDVLXSA-N 2 1 266.473 3.904 20 0 CHADMP CCC[C@H](CC)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001257265394 1128124386 /nfs/dbraw/zinc/12/43/86/1128124386.db2.gz DKUKURJLVAMKOM-ULQDDVLXSA-N 2 1 266.473 3.904 20 0 CHADMP CC[C@@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)c1ccncc1 ZINC000925130017 1128122671 /nfs/dbraw/zinc/12/26/71/1128122671.db2.gz LQARZHYYUVSYOV-GOSISDBHSA-N 2 1 289.467 3.633 20 0 CHADMP C[C@H]([NH2+][C@@H]1C=CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309868866 1128125184 /nfs/dbraw/zinc/12/51/84/1128125184.db2.gz QINYNHJLPMTPIV-QXAKKESOSA-N 2 1 284.447 3.595 20 0 CHADMP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1cc(Cl)sc1Cl ZINC000925740452 1128139730 /nfs/dbraw/zinc/13/97/30/1128139730.db2.gz HSWILAVLQGSOBE-ZETCQYMHSA-N 2 1 281.252 3.833 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1coc2ccccc12 ZINC000926753215 1128192226 /nfs/dbraw/zinc/19/22/26/1128192226.db2.gz LUYRHVYDJOSSHX-GJZGRUSLSA-N 2 1 286.419 3.815 20 0 CHADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205131137 1128264576 /nfs/dbraw/zinc/26/45/76/1128264576.db2.gz RASJEDXCUZAZKJ-TXPKVOOTSA-N 2 1 288.479 3.515 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)[C@@H]1C ZINC000495087054 1128230277 /nfs/dbraw/zinc/23/02/77/1128230277.db2.gz RUFYYOWZNNESCC-LFYQSXPISA-N 2 1 292.492 3.765 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[C@@H]1C ZINC000495087054 1128230280 /nfs/dbraw/zinc/23/02/80/1128230280.db2.gz RUFYYOWZNNESCC-LFYQSXPISA-N 2 1 292.492 3.765 20 0 CHADMP Cc1cc(C)c(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(C)c1 ZINC001206584494 1128243438 /nfs/dbraw/zinc/24/34/38/1128243438.db2.gz ZGQTUTOEAMSNOC-GOSISDBHSA-N 2 1 288.479 3.964 20 0 CHADMP CN1CCC[C@H](C[N@@H+](C)[C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000777783646 1128274312 /nfs/dbraw/zinc/27/43/12/1128274312.db2.gz CUHYLOYFMZSWRV-SUMWQHHRSA-N 2 1 292.854 3.601 20 0 CHADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCc2cc(Cl)ccc21 ZINC000777783646 1128274318 /nfs/dbraw/zinc/27/43/18/1128274318.db2.gz CUHYLOYFMZSWRV-SUMWQHHRSA-N 2 1 292.854 3.601 20 0 CHADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCc2cc(Cl)ccc21 ZINC000777783646 1128274319 /nfs/dbraw/zinc/27/43/19/1128274319.db2.gz CUHYLOYFMZSWRV-SUMWQHHRSA-N 2 1 292.854 3.601 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccccc2CF)CC1 ZINC000929505346 1128276133 /nfs/dbraw/zinc/27/61/33/1128276133.db2.gz HCTOYDQXOWMFOJ-UHFFFAOYSA-N 2 1 292.442 3.708 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000322255300 1128341839 /nfs/dbraw/zinc/34/18/39/1128341839.db2.gz FISVLDNWGHWKRU-HKUYNNGSSA-N 2 1 286.463 3.677 20 0 CHADMP CC[C@@H]1CC[C@H]1[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000562017469 1128371674 /nfs/dbraw/zinc/37/16/74/1128371674.db2.gz DISBNTGBRDDTIJ-YYIAUSFCSA-N 2 1 266.473 3.523 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CCc1ccsc1 ZINC000562089499 1128378725 /nfs/dbraw/zinc/37/87/25/1128378725.db2.gz BGJAIXFIZJAGIM-HUUCEWRRSA-N 2 1 282.497 3.779 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CCc1ccsc1 ZINC000562089499 1128378730 /nfs/dbraw/zinc/37/87/30/1128378730.db2.gz BGJAIXFIZJAGIM-HUUCEWRRSA-N 2 1 282.497 3.779 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCCC[C@H]2C)C1 ZINC001649175992 1128404561 /nfs/dbraw/zinc/40/45/61/1128404561.db2.gz SYKFQDQYBBGOPE-ZACQAIPSSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@@H](CC[N@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000562580091 1128411752 /nfs/dbraw/zinc/41/17/52/1128411752.db2.gz TWMMKOBAVNNLQG-WMZOPIPTSA-N 2 1 274.452 3.596 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000124359339 1128443824 /nfs/dbraw/zinc/44/38/24/1128443824.db2.gz FZQQOLQUSGVXGG-HZPDHXFCSA-N 2 1 298.474 3.700 20 0 CHADMP CCC[C@H](C)CC[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001257463611 1128444791 /nfs/dbraw/zinc/44/47/91/1128444791.db2.gz OHJNIUBJPIGJQV-ARFHVFGLSA-N 2 1 254.462 3.665 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000037644115 1128433475 /nfs/dbraw/zinc/43/34/75/1128433475.db2.gz RENKKHDIGMNJHX-JKSUJKDBSA-N 2 1 288.479 3.977 20 0 CHADMP CCCC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000037648873 1128434622 /nfs/dbraw/zinc/43/46/22/1128434622.db2.gz FTSNKAOAMDKEAU-LPHOPBHVSA-N 2 1 286.463 3.992 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000038098167 1128438307 /nfs/dbraw/zinc/43/83/07/1128438307.db2.gz DFOJIQRVOUYINT-MOPGFXCFSA-N 2 1 286.463 3.787 20 0 CHADMP CC[N@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1C ZINC000125445555 1128449819 /nfs/dbraw/zinc/44/98/19/1128449819.db2.gz YCNRXTQRVOSXHP-UHFFFAOYSA-N 2 1 285.435 3.802 20 0 CHADMP CC[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1C ZINC000125445555 1128449820 /nfs/dbraw/zinc/44/98/20/1128449820.db2.gz YCNRXTQRVOSXHP-UHFFFAOYSA-N 2 1 285.435 3.802 20 0 CHADMP CC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120889 1128450822 /nfs/dbraw/zinc/45/08/22/1128450822.db2.gz LJDCOAYFLGMCOP-RDJZCZTQSA-N 2 1 272.436 3.572 20 0 CHADMP CC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120889 1128450824 /nfs/dbraw/zinc/45/08/24/1128450824.db2.gz LJDCOAYFLGMCOP-RDJZCZTQSA-N 2 1 272.436 3.572 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC001257479070 1128492192 /nfs/dbraw/zinc/49/21/92/1128492192.db2.gz VXJXHOLIBCHUAI-XUWVNRHRSA-N 2 1 254.462 3.521 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001257479070 1128492194 /nfs/dbraw/zinc/49/21/94/1128492194.db2.gz VXJXHOLIBCHUAI-XUWVNRHRSA-N 2 1 254.462 3.521 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2-c2ccccc2)C1 ZINC000917395365 1128497335 /nfs/dbraw/zinc/49/73/35/1128497335.db2.gz JGZTYVHKGQOJOZ-KRWDZBQOSA-N 2 1 294.442 3.785 20 0 CHADMP CCC[C@@H]1[C@H](C)CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000129081481 1128530475 /nfs/dbraw/zinc/53/04/75/1128530475.db2.gz OMUKCAVDZGRLQK-NVXWUHKLSA-N 2 1 277.456 3.872 20 0 CHADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000129081481 1128530478 /nfs/dbraw/zinc/53/04/78/1128530478.db2.gz OMUKCAVDZGRLQK-NVXWUHKLSA-N 2 1 277.456 3.872 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1F ZINC000556173068 1128559807 /nfs/dbraw/zinc/55/98/07/1128559807.db2.gz DRBNRWMSRIWMOI-CQSZACIVSA-N 2 1 290.426 3.659 20 0 CHADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H](CC(C)C)c2ccccc2)C1 ZINC000566225310 1128540783 /nfs/dbraw/zinc/54/07/83/1128540783.db2.gz CRBCSCJIBWZVMK-PKOBYXMFSA-N 2 1 288.479 3.748 20 0 CHADMP CC[C@@H](C)[N@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000567402451 1128564097 /nfs/dbraw/zinc/56/40/97/1128564097.db2.gz VCYIJIJGOMFVLV-MRXNPFEDSA-N 2 1 285.435 3.653 20 0 CHADMP CC[C@@H](C)[N@@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000567402451 1128564098 /nfs/dbraw/zinc/56/40/98/1128564098.db2.gz VCYIJIJGOMFVLV-MRXNPFEDSA-N 2 1 285.435 3.653 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[C@@H]2C2CC2)c1 ZINC000568080226 1128577762 /nfs/dbraw/zinc/57/77/62/1128577762.db2.gz UXKPICIKNJPXOK-MOPGFXCFSA-N 2 1 286.463 3.805 20 0 CHADMP C[C@H]1C[C@@H](NC[C@H]2CCC[N@@H+](C)C2)c2ccsc2S1 ZINC000130566654 1128587216 /nfs/dbraw/zinc/58/72/16/1128587216.db2.gz BHPFKLXSRSAYFN-OUCADQQQSA-N 2 1 296.505 3.605 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCCN(C)C2)c2ccsc2S1 ZINC000130566654 1128587217 /nfs/dbraw/zinc/58/72/17/1128587217.db2.gz BHPFKLXSRSAYFN-OUCADQQQSA-N 2 1 296.505 3.605 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)c2ccsc2S1 ZINC000130566654 1128587219 /nfs/dbraw/zinc/58/72/19/1128587219.db2.gz BHPFKLXSRSAYFN-OUCADQQQSA-N 2 1 296.505 3.605 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)c2ccsc2S1 ZINC000130566654 1128587220 /nfs/dbraw/zinc/58/72/20/1128587220.db2.gz BHPFKLXSRSAYFN-OUCADQQQSA-N 2 1 296.505 3.605 20 0 CHADMP CC[N@H+](CCC[NH+](C)C)Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000568566416 1128587480 /nfs/dbraw/zinc/58/74/80/1128587480.db2.gz UHWOMOQRQZXLKF-UHFFFAOYSA-N 2 1 287.451 3.558 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000568566416 1128587482 /nfs/dbraw/zinc/58/74/82/1128587482.db2.gz UHWOMOQRQZXLKF-UHFFFAOYSA-N 2 1 287.451 3.558 20 0 CHADMP C[C@@H](CC[NH2+]CC[N@H+](C)C1CCCC1)c1ccccc1 ZINC000071377138 1128589859 /nfs/dbraw/zinc/58/98/59/1128589859.db2.gz DJJUJJSSJNZMAD-INIZCTEOSA-N 2 1 274.452 3.644 20 0 CHADMP C[C@@H](CC[NH2+]CC[N@@H+](C)C1CCCC1)c1ccccc1 ZINC000071377138 1128589862 /nfs/dbraw/zinc/58/98/62/1128589862.db2.gz DJJUJJSSJNZMAD-INIZCTEOSA-N 2 1 274.452 3.644 20 0 CHADMP CC(C)(C)C1CCC(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000131331746 1128615158 /nfs/dbraw/zinc/61/51/58/1128615158.db2.gz DIPNGPMYSVIUEO-AQFXKWCLSA-N 2 1 292.511 3.913 20 0 CHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CC3CCC3)CC23CC3)cc1 ZINC000570091768 1128615282 /nfs/dbraw/zinc/61/52/82/1128615282.db2.gz IOGQGCXPDLSRHL-GOSISDBHSA-N 2 1 284.447 3.573 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CC3CCC3)CC23CC3)cc1 ZINC000570091768 1128615284 /nfs/dbraw/zinc/61/52/84/1128615284.db2.gz IOGQGCXPDLSRHL-GOSISDBHSA-N 2 1 284.447 3.573 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3sc(Cl)cc32)[C@H](C)C1 ZINC000569277583 1128603335 /nfs/dbraw/zinc/60/33/35/1128603335.db2.gz BYYDHKRRZAJLNC-WXHSDQCUSA-N 2 1 298.883 3.709 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3sc(Cl)cc32)[C@H](C)C1 ZINC000569277583 1128603338 /nfs/dbraw/zinc/60/33/38/1128603338.db2.gz BYYDHKRRZAJLNC-WXHSDQCUSA-N 2 1 298.883 3.709 20 0 CHADMP CC1(C)CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000556583533 1128606630 /nfs/dbraw/zinc/60/66/30/1128606630.db2.gz IUYQHIFPJGUIIR-ZBFHGGJFSA-N 2 1 292.492 3.738 20 0 CHADMP CC1(C)CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000556583533 1128606631 /nfs/dbraw/zinc/60/66/31/1128606631.db2.gz IUYQHIFPJGUIIR-ZBFHGGJFSA-N 2 1 292.492 3.738 20 0 CHADMP CC1=CC[C@H]([NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000556833705 1128628392 /nfs/dbraw/zinc/62/83/92/1128628392.db2.gz JRNOJEPRZFYQFA-BBWFWOEESA-N 2 1 276.468 3.728 20 0 CHADMP CC1=CC[C@H]([NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000573707362 1128656867 /nfs/dbraw/zinc/65/68/67/1128656867.db2.gz YIWMYIRSKOSJDF-IRXDYDNUSA-N 2 1 264.457 3.729 20 0 CHADMP CC(C)OC1CCC([NH2+]CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001257871787 1128659260 /nfs/dbraw/zinc/65/92/60/1128659260.db2.gz GDMPNAYSFHRPMV-AOCRQIFASA-N 2 1 296.499 3.577 20 0 CHADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@H]1C[C@@H]1c1ccccc1 ZINC000573947924 1128659594 /nfs/dbraw/zinc/65/95/94/1128659594.db2.gz QIYDBPNKVAOAAS-RTBURBONSA-N 2 1 286.463 3.598 20 0 CHADMP CCCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000574198441 1128662750 /nfs/dbraw/zinc/66/27/50/1128662750.db2.gz UOXIQQVQLGLKAU-OAHLLOKOSA-N 2 1 280.481 3.610 20 0 CHADMP CCCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000574198441 1128662752 /nfs/dbraw/zinc/66/27/52/1128662752.db2.gz UOXIQQVQLGLKAU-OAHLLOKOSA-N 2 1 280.481 3.610 20 0 CHADMP CCCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000574198440 1128663094 /nfs/dbraw/zinc/66/30/94/1128663094.db2.gz UOXIQQVQLGLKAU-HNNXBMFYSA-N 2 1 280.481 3.610 20 0 CHADMP CCCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000574198440 1128663096 /nfs/dbraw/zinc/66/30/96/1128663096.db2.gz UOXIQQVQLGLKAU-HNNXBMFYSA-N 2 1 280.481 3.610 20 0 CHADMP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000578513867 1128720635 /nfs/dbraw/zinc/72/06/35/1128720635.db2.gz POSDZQTZSVWRDY-SZMVWBNQSA-N 2 1 278.484 3.689 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc2ccccc2n1 ZINC000643546061 1117792647 /nfs/dbraw/zinc/79/26/47/1117792647.db2.gz HQBUJWGMHWYQJV-GOEBONIOSA-N 2 1 295.430 3.560 20 0 CHADMP CC1(C)Cc2occc2[C@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000643546697 1117792843 /nfs/dbraw/zinc/79/28/43/1117792843.db2.gz SUZIZCLOXZITRF-DZGCQCFKSA-N 2 1 288.435 3.557 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)c(F)c1 ZINC000643548872 1117799845 /nfs/dbraw/zinc/79/98/45/1117799845.db2.gz WMMYWCXBOVXHFP-DGCLKSJQSA-N 2 1 296.817 3.804 20 0 CHADMP C[C@@H](C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C(C)(C)C ZINC000670264749 1117824427 /nfs/dbraw/zinc/82/44/27/1117824427.db2.gz UJXGFTRKBOOYKF-HOTGVXAUSA-N 2 1 266.473 3.619 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H](c2cccs2)C2CC2)CC1(C)C ZINC000623345209 1117836927 /nfs/dbraw/zinc/83/69/27/1117836927.db2.gz WFGYCVLEQSXIGU-UKRRQHHQSA-N 2 1 278.465 3.662 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+][C@@H](c2cccs2)C2CC2)CC1(C)C ZINC000623345209 1117836933 /nfs/dbraw/zinc/83/69/33/1117836933.db2.gz WFGYCVLEQSXIGU-UKRRQHHQSA-N 2 1 278.465 3.662 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCc3ccccc32)CC1(C)C ZINC000623346528 1117837234 /nfs/dbraw/zinc/83/72/34/1117837234.db2.gz UXJFWCBTNNQCPN-SJORKVTESA-N 2 1 286.463 3.569 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCSc3ccccc32)CC1(C)C ZINC000623339874 1117837683 /nfs/dbraw/zinc/83/76/83/1117837683.db2.gz NMRHRIUCGHSQLF-UKRRQHHQSA-N 2 1 290.476 3.686 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](c2cccs2)C2CC2)CC1(C)C ZINC000623345207 1117837617 /nfs/dbraw/zinc/83/76/17/1117837617.db2.gz WFGYCVLEQSXIGU-DZGCQCFKSA-N 2 1 278.465 3.662 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H](c2cccs2)C2CC2)CC1(C)C ZINC000623345207 1117837625 /nfs/dbraw/zinc/83/76/25/1117837625.db2.gz WFGYCVLEQSXIGU-DZGCQCFKSA-N 2 1 278.465 3.662 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCSc3ccccc32)CC1(C)C ZINC000623339874 1117837688 /nfs/dbraw/zinc/83/76/88/1117837688.db2.gz NMRHRIUCGHSQLF-UKRRQHHQSA-N 2 1 290.476 3.686 20 0 CHADMP Cc1ccc([C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C2CC2)cc1 ZINC000623352081 1117839393 /nfs/dbraw/zinc/83/93/93/1117839393.db2.gz ONQLTJKRLCQZEU-QZTJIDSGSA-N 2 1 286.463 3.909 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000623357804 1117840854 /nfs/dbraw/zinc/84/08/54/1117840854.db2.gz ATYFLZMPBYVRAE-MRXNPFEDSA-N 2 1 299.462 3.912 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc3ccccc3c2)CC1(C)C ZINC000623380634 1117847188 /nfs/dbraw/zinc/84/71/88/1117847188.db2.gz IJBFCBLHMIYSGJ-LJQANCHMSA-N 2 1 296.458 3.845 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001236364710 1128738632 /nfs/dbraw/zinc/73/86/32/1128738632.db2.gz ZDOPQDKAJZRVFF-MJBXVCDLSA-N 2 1 292.389 3.580 20 0 CHADMP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623400558 1117851772 /nfs/dbraw/zinc/85/17/72/1117851772.db2.gz XXZVBPORITXPIY-QGZVFWFLSA-N 2 1 288.479 3.735 20 0 CHADMP CC(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623400733 1117851830 /nfs/dbraw/zinc/85/18/30/1117851830.db2.gz DAAFHAIQILIPBX-OAGGEKHMSA-N 2 1 266.473 3.664 20 0 CHADMP C[C@@H](CCC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623424689 1117854261 /nfs/dbraw/zinc/85/42/61/1117854261.db2.gz ALUNJWSFDZHBJF-KBPBESRZSA-N 2 1 254.462 3.664 20 0 CHADMP C[C@H](CCC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623424690 1117854594 /nfs/dbraw/zinc/85/45/94/1117854594.db2.gz ALUNJWSFDZHBJF-KGLIPLIRSA-N 2 1 254.462 3.664 20 0 CHADMP Cc1cccc([C@H](C)C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623429010 1117855743 /nfs/dbraw/zinc/85/57/43/1117855743.db2.gz IRPRGNUMQOGMCT-WBVHZDCISA-N 2 1 274.452 3.561 20 0 CHADMP C[C@@H](CCCC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623506840 1117863517 /nfs/dbraw/zinc/86/35/17/1117863517.db2.gz JJFCHHWJSHAFKU-RYUDHWBXSA-N 2 1 280.378 3.570 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCCC(F)(F)C2)CC1(C)C ZINC000623529464 1117867576 /nfs/dbraw/zinc/86/75/76/1117867576.db2.gz JGBTZBSKPJVVQT-ZIAGYGMSSA-N 2 1 288.426 3.664 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CCC[C@@H](C)C1 ZINC000623543440 1117870210 /nfs/dbraw/zinc/87/02/10/1117870210.db2.gz RULUEHSOCPZEML-QKPAOTATSA-N 2 1 266.473 3.664 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)[C@H](C)C2 ZINC000623571544 1117874682 /nfs/dbraw/zinc/87/46/82/1117874682.db2.gz ZXIOFKWAGGKQRN-HFTRVMKXSA-N 2 1 286.463 3.691 20 0 CHADMP CC[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623624083 1117880198 /nfs/dbraw/zinc/88/01/98/1117880198.db2.gz RMGOITNZZHOCSE-QZTJIDSGSA-N 2 1 288.479 3.860 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC1CCC(C)CC1 ZINC000683224463 1117899753 /nfs/dbraw/zinc/89/97/53/1117899753.db2.gz JQDBKUBZKUDWSO-UHFFFAOYSA-N 2 1 291.483 3.984 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC1CCC(C)CC1 ZINC000683224463 1117899757 /nfs/dbraw/zinc/89/97/57/1117899757.db2.gz JQDBKUBZKUDWSO-UHFFFAOYSA-N 2 1 291.483 3.984 20 0 CHADMP Cc1ccc2[nH]c(C[N@H+](C)[C@H]3CCN(C)C[C@H]3C)cc2c1C ZINC000579287473 1128743047 /nfs/dbraw/zinc/74/30/47/1128743047.db2.gz FUUNZAHPJHAQJZ-KUHUBIRLSA-N 2 1 299.462 3.557 20 0 CHADMP Cc1ccc2[nH]c(CN(C)[C@H]3CC[N@@H+](C)C[C@H]3C)cc2c1C ZINC000579287473 1128743050 /nfs/dbraw/zinc/74/30/50/1128743050.db2.gz FUUNZAHPJHAQJZ-KUHUBIRLSA-N 2 1 299.462 3.557 20 0 CHADMP Cc1ccc2[nH]c(CN(C)[C@H]3CC[N@H+](C)C[C@H]3C)cc2c1C ZINC000579287473 1128743052 /nfs/dbraw/zinc/74/30/52/1128743052.db2.gz FUUNZAHPJHAQJZ-KUHUBIRLSA-N 2 1 299.462 3.557 20 0 CHADMP Cc1ccc2[nH]c(C[NH+](C)[C@H]3CC[N@@H+](C)C[C@H]3C)cc2c1C ZINC000579287473 1128743054 /nfs/dbraw/zinc/74/30/54/1128743054.db2.gz FUUNZAHPJHAQJZ-KUHUBIRLSA-N 2 1 299.462 3.557 20 0 CHADMP Cc1ccc2[nH]c(C[NH+](C)[C@H]3CC[N@H+](C)C[C@H]3C)cc2c1C ZINC000579287473 1128743059 /nfs/dbraw/zinc/74/30/59/1128743059.db2.gz FUUNZAHPJHAQJZ-KUHUBIRLSA-N 2 1 299.462 3.557 20 0 CHADMP Cc1ccc2[nH]c(C[N@@H+](C)[C@H]3CC[NH+](C)C[C@H]3C)cc2c1C ZINC000579287473 1128743062 /nfs/dbraw/zinc/74/30/62/1128743062.db2.gz FUUNZAHPJHAQJZ-KUHUBIRLSA-N 2 1 299.462 3.557 20 0 CHADMP Cc1ccc2[nH]c(C[N@H+](C)[C@H]3CC[NH+](C)C[C@H]3C)cc2c1C ZINC000579287473 1128743065 /nfs/dbraw/zinc/74/30/65/1128743065.db2.gz FUUNZAHPJHAQJZ-KUHUBIRLSA-N 2 1 299.462 3.557 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2cccc(Cl)c2)[C@H](C)C1 ZINC000180461979 1117930340 /nfs/dbraw/zinc/93/03/40/1117930340.db2.gz XETRPWJTBGWJLA-RHSMWYFYSA-N 2 1 294.870 3.593 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCc1cccc(Cl)c1 ZINC000180462999 1117930601 /nfs/dbraw/zinc/93/06/01/1117930601.db2.gz XOMPWOQPKIGXBJ-CKEIUWERSA-N 2 1 294.870 3.591 20 0 CHADMP CCN1CCC([N@@H+](C)[C@H](C)CCc2cccc(F)c2)CC1 ZINC000543985915 1117936657 /nfs/dbraw/zinc/93/66/57/1117936657.db2.gz DPAQPLVOMNKUQK-OAHLLOKOSA-N 2 1 292.442 3.563 20 0 CHADMP CC[NH+]1CCC([N@H+](C)[C@H](C)CCc2cccc(F)c2)CC1 ZINC000543985915 1117936659 /nfs/dbraw/zinc/93/66/59/1117936659.db2.gz DPAQPLVOMNKUQK-OAHLLOKOSA-N 2 1 292.442 3.563 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)[C@H](C)CCc2cccc(F)c2)CC1 ZINC000543985915 1117936660 /nfs/dbraw/zinc/93/66/60/1117936660.db2.gz DPAQPLVOMNKUQK-OAHLLOKOSA-N 2 1 292.442 3.563 20 0 CHADMP CC[C@H](CCc1ccccc1)[NH2+]CCCn1cc[nH+]c1C ZINC000623867599 1117945901 /nfs/dbraw/zinc/94/59/01/1117945901.db2.gz FQLYQEWRWMKLRP-GOSISDBHSA-N 2 1 285.435 3.583 20 0 CHADMP CCc1ccc([C@@H](CC)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000037140826 1117970281 /nfs/dbraw/zinc/97/02/81/1117970281.db2.gz ROUFAFTYKWTEHZ-LJQANCHMSA-N 2 1 286.463 3.917 20 0 CHADMP Cc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624120853 1117985687 /nfs/dbraw/zinc/98/56/87/1117985687.db2.gz IMCATEHOGOLJDT-HKUYNNGSSA-N 2 1 288.479 3.638 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc2c(s1)CCC2 ZINC000624122590 1117985791 /nfs/dbraw/zinc/98/57/91/1117985791.db2.gz WKDLXZQFWUSMBR-KBPBESRZSA-N 2 1 292.492 3.619 20 0 CHADMP CC[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624124830 1117987254 /nfs/dbraw/zinc/98/72/54/1117987254.db2.gz LYBOPJUAEIFHEC-MOPGFXCFSA-N 2 1 288.479 3.719 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1csc(Cl)c1 ZINC000624123573 1117987461 /nfs/dbraw/zinc/98/74/61/1117987461.db2.gz OKDFTJBTXZGLSX-RYUDHWBXSA-N 2 1 286.872 3.784 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1csc(Cl)c1 ZINC000624123573 1117987467 /nfs/dbraw/zinc/98/74/67/1117987467.db2.gz OKDFTJBTXZGLSX-RYUDHWBXSA-N 2 1 286.872 3.784 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCc2ccc(C)cc2)C1 ZINC000181943588 1118010303 /nfs/dbraw/zinc/01/03/03/1118010303.db2.gz BNWVCFDFLXFDEN-IBGZPJMESA-N 2 1 288.479 3.591 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCc2ccc(C)cc2)C1 ZINC000181943588 1118010306 /nfs/dbraw/zinc/01/03/06/1118010306.db2.gz BNWVCFDFLXFDEN-IBGZPJMESA-N 2 1 288.479 3.591 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCc2ccc(C)cc2)C1 ZINC000181943588 1118010312 /nfs/dbraw/zinc/01/03/12/1118010312.db2.gz BNWVCFDFLXFDEN-IBGZPJMESA-N 2 1 288.479 3.591 20 0 CHADMP FC(F)c1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001345957135 1118018389 /nfs/dbraw/zinc/01/83/89/1118018389.db2.gz STKOBMDWBNJGLI-UHFFFAOYSA-N 2 1 294.389 3.590 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2c(C)oc3ccccc32)[C@H](C)C1 ZINC000182461846 1118022920 /nfs/dbraw/zinc/02/29/20/1118022920.db2.gz YHXILYCYIFJPIF-DYVFJYSZSA-N 2 1 286.419 3.561 20 0 CHADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CCCn1ccnc1 ZINC000182800346 1118029871 /nfs/dbraw/zinc/02/98/71/1118029871.db2.gz DZVZYFUWDZCPST-SFHVURJKSA-N 2 1 285.435 3.535 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCC12CCCC2 ZINC000340233635 1118117163 /nfs/dbraw/zinc/11/71/63/1118117163.db2.gz ZABYCVZBZDLCLI-GDBMZVCRSA-N 2 1 275.440 3.530 20 0 CHADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C[C@@H](C)c1ccccc1 ZINC000237549653 1118150590 /nfs/dbraw/zinc/15/05/90/1118150590.db2.gz WVOZJDOJBJWUKG-ZACQAIPSSA-N 2 1 274.452 3.500 20 0 CHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C[C@@H](C)c1ccccc1 ZINC000237549653 1118150591 /nfs/dbraw/zinc/15/05/91/1118150591.db2.gz WVOZJDOJBJWUKG-ZACQAIPSSA-N 2 1 274.452 3.500 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1ccoc1 ZINC000765453651 1118153343 /nfs/dbraw/zinc/15/33/43/1118153343.db2.gz QHZXVPZKHXFYLJ-HNNXBMFYSA-N 2 1 290.451 3.975 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[C@@H](C)SC2)c1 ZINC000655716923 1118193381 /nfs/dbraw/zinc/19/33/81/1118193381.db2.gz QFFWBXIPCLOSCG-PBHICJAKSA-N 2 1 292.492 3.512 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c(Cl)cccc32)CC[N@@H+]1C ZINC000542662801 1118195003 /nfs/dbraw/zinc/19/50/03/1118195003.db2.gz LLAXWOFCNRUDHE-IIYDPXPESA-N 2 1 292.854 3.790 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c(Cl)cccc32)CC[N@H+]1C ZINC000542662801 1118195008 /nfs/dbraw/zinc/19/50/08/1118195008.db2.gz LLAXWOFCNRUDHE-IIYDPXPESA-N 2 1 292.854 3.790 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCC=CO2)cc1 ZINC000188581330 1128762960 /nfs/dbraw/zinc/76/29/60/1128762960.db2.gz XFBHZQNVKMQPAL-KBXCAEBGSA-N 2 1 297.402 3.524 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCCC1(C)C ZINC000164716806 1118231760 /nfs/dbraw/zinc/23/17/60/1118231760.db2.gz TYWAWKAZIDXXDZ-HNNXBMFYSA-N 2 1 263.429 3.530 20 0 CHADMP Cc1ccc([C@H]([NH2+]CC(C)(C)C[NH+](C)C)C2CCC2)o1 ZINC000542670699 1118238046 /nfs/dbraw/zinc/23/80/46/1118238046.db2.gz IYRQFUXNMPTIGO-MRXNPFEDSA-N 2 1 278.440 3.607 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000765759187 1118240682 /nfs/dbraw/zinc/24/06/82/1118240682.db2.gz SZPOWFLRHFXVIQ-VDHUWJSZSA-N 2 1 289.467 3.776 20 0 CHADMP COc1ccc(C(C)C)cc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000655940273 1118276212 /nfs/dbraw/zinc/27/62/12/1118276212.db2.gz ZPMHGNGHUGTQEW-QGZVFWFLSA-N 2 1 290.451 3.522 20 0 CHADMP Cc1ccoc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282251472 1118310173 /nfs/dbraw/zinc/31/01/73/1118310173.db2.gz BFVVXBLUMLJZMV-HNNXBMFYSA-N 2 1 299.418 3.500 20 0 CHADMP Cc1ccoc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282251472 1118310176 /nfs/dbraw/zinc/31/01/76/1118310176.db2.gz BFVVXBLUMLJZMV-HNNXBMFYSA-N 2 1 299.418 3.500 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2F)cc1 ZINC000340525195 1118317119 /nfs/dbraw/zinc/31/71/19/1118317119.db2.gz WCQAATRQDXQJIS-ZLIFDBKOSA-N 2 1 287.382 3.722 20 0 CHADMP [NH3+]C1(C[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000902413965 1118338702 /nfs/dbraw/zinc/33/87/02/1118338702.db2.gz QAZHITWTFMKAAP-CYBMUJFWSA-N 2 1 285.218 3.525 20 0 CHADMP C[N@@H+](CCCc1c(F)cccc1Cl)C1CCC([NH3+])CC1 ZINC000843055062 1118339859 /nfs/dbraw/zinc/33/98/59/1118339859.db2.gz OVYLBYVPRGYQIZ-UHFFFAOYSA-N 2 1 298.833 3.613 20 0 CHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]CC1(C)CC1 ZINC000683765546 1118345980 /nfs/dbraw/zinc/34/59/80/1118345980.db2.gz VGMPEZJIROLKRZ-MRXNPFEDSA-N 2 1 286.463 3.951 20 0 CHADMP CCC[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1cccs1 ZINC000086818933 1118399097 /nfs/dbraw/zinc/39/90/97/1118399097.db2.gz KTOJMQRFGBMGBM-KBPBESRZSA-N 2 1 266.454 3.663 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)c(F)c1 ZINC000580289063 1118413775 /nfs/dbraw/zinc/41/37/75/1118413775.db2.gz UZPVQBPVQCPMFJ-CHWSQXEVSA-N 2 1 298.833 3.862 20 0 CHADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000262001680 1118479293 /nfs/dbraw/zinc/47/92/93/1118479293.db2.gz VFWWKGCVSNQRGP-UZLBHIALSA-N 2 1 294.442 3.913 20 0 CHADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC001167425613 1118485926 /nfs/dbraw/zinc/48/59/26/1118485926.db2.gz RQKFMOSXCYDLIM-TVFCKZIOSA-N 2 1 278.484 3.619 20 0 CHADMP CC[C@@H]1C[C@H]1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001167425613 1118485927 /nfs/dbraw/zinc/48/59/27/1118485927.db2.gz RQKFMOSXCYDLIM-TVFCKZIOSA-N 2 1 278.484 3.619 20 0 CHADMP CC[C@@H]1C[C@H]1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001167425613 1118485929 /nfs/dbraw/zinc/48/59/29/1118485929.db2.gz RQKFMOSXCYDLIM-TVFCKZIOSA-N 2 1 278.484 3.619 20 0 CHADMP CC1=C(C)C[C@H]([C@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C)CC1 ZINC001659951237 1118494894 /nfs/dbraw/zinc/49/48/94/1118494894.db2.gz FVRGRBXIYVASSX-IXDOHACOSA-N 2 1 266.473 3.830 20 0 CHADMP CC1=C(C)C[C@H]([C@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC001659951237 1118494895 /nfs/dbraw/zinc/49/48/95/1118494895.db2.gz FVRGRBXIYVASSX-IXDOHACOSA-N 2 1 266.473 3.830 20 0 CHADMP CC1(C)CCC[C@H]([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000398298988 1118517424 /nfs/dbraw/zinc/51/74/24/1118517424.db2.gz LFNKBFNKYWCYKI-INDMIFKZSA-N 2 1 298.474 3.675 20 0 CHADMP CC1(C)CCC[C@H]([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000398298988 1118517428 /nfs/dbraw/zinc/51/74/28/1118517428.db2.gz LFNKBFNKYWCYKI-INDMIFKZSA-N 2 1 298.474 3.675 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1cccc2[nH]ccc21 ZINC000349386963 1118564810 /nfs/dbraw/zinc/56/48/10/1118564810.db2.gz SWHIJJICJNNVHD-UHFFFAOYSA-N 2 1 287.451 3.722 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCC1CCCCC1 ZINC000349411032 1118585367 /nfs/dbraw/zinc/58/53/67/1118585367.db2.gz VYYWLDWQZIMMMP-UHFFFAOYSA-N 2 1 277.456 3.874 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCC1CCCCC1 ZINC000349411032 1118585371 /nfs/dbraw/zinc/58/53/71/1118585371.db2.gz VYYWLDWQZIMMMP-UHFFFAOYSA-N 2 1 277.456 3.874 20 0 CHADMP C[C@H]1CCC[C@@](C[NH2+]C2CCCCCC2)([NH+](C)C)C1 ZINC000109923984 1118588794 /nfs/dbraw/zinc/58/87/94/1118588794.db2.gz FYNWKZMLWPWEAM-DOTOQJQBSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@H](c1ccccc1)[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000394912273 1118623776 /nfs/dbraw/zinc/62/37/76/1118623776.db2.gz HBWIMVHPJHYNGT-OAHLLOKOSA-N 2 1 280.415 3.525 20 0 CHADMP CCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647166412 1118628089 /nfs/dbraw/zinc/62/80/89/1118628089.db2.gz LUKIUCBFQDYJMI-WMZOPIPTSA-N 2 1 286.463 3.962 20 0 CHADMP CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647166412 1118628091 /nfs/dbraw/zinc/62/80/91/1118628091.db2.gz LUKIUCBFQDYJMI-WMZOPIPTSA-N 2 1 286.463 3.962 20 0 CHADMP CCC[C@H]([NH2+]C[C@H]1CC[N@H+](C(C)C)C1)C1CCCC1 ZINC000313413514 1118631544 /nfs/dbraw/zinc/63/15/44/1118631544.db2.gz QQHKJHNNJSATNL-WBVHZDCISA-N 2 1 266.473 3.665 20 0 CHADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656784045 1118657354 /nfs/dbraw/zinc/65/73/54/1118657354.db2.gz XYIRBZRIAOEMAP-UFYCRDLUSA-N 2 1 298.474 3.502 20 0 CHADMP Cc1ncc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)s1 ZINC000090402939 1118673675 /nfs/dbraw/zinc/67/36/75/1118673675.db2.gz AOYNGYUHWFLIKU-UONOGXRCSA-N 2 1 295.496 3.757 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)Cc2c(C)cc(C)cc2C)CC1 ZINC000510467166 1118703426 /nfs/dbraw/zinc/70/34/26/1118703426.db2.gz HLPKHAWDZSRRPL-UHFFFAOYSA-N 2 1 288.479 3.918 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000283171189 1118707489 /nfs/dbraw/zinc/70/74/89/1118707489.db2.gz JEXAOJVSVQYUAJ-MNEFBYGVSA-N 2 1 297.446 3.754 20 0 CHADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000129021749 1118752640 /nfs/dbraw/zinc/75/26/40/1118752640.db2.gz ZEXOKJBPLQKHCH-KXBFYZLASA-N 2 1 280.415 3.665 20 0 CHADMP C[C@H](CC1CCCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000689778025 1118753311 /nfs/dbraw/zinc/75/33/11/1118753311.db2.gz PBLISBKPFDOIOG-HZTRTUMWSA-N 2 1 264.457 3.560 20 0 CHADMP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000430749214 1118766491 /nfs/dbraw/zinc/76/64/91/1118766491.db2.gz INBHRYFWIRPGGD-USYVTKNRSA-N 2 1 298.474 3.675 20 0 CHADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)c2ccccc21 ZINC000131949514 1118778263 /nfs/dbraw/zinc/77/82/63/1118778263.db2.gz FEJWGHNWNCJPOM-CVEARBPZSA-N 2 1 272.779 3.574 20 0 CHADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000510722975 1118797992 /nfs/dbraw/zinc/79/79/92/1118797992.db2.gz QRGPXVCWZRUJAX-KGLIPLIRSA-N 2 1 298.421 3.606 20 0 CHADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000510722975 1118797996 /nfs/dbraw/zinc/79/79/96/1118797996.db2.gz QRGPXVCWZRUJAX-KGLIPLIRSA-N 2 1 298.421 3.606 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000510751146 1118805685 /nfs/dbraw/zinc/80/56/85/1118805685.db2.gz LLSKLFPSAFNDPB-KBAYOESNSA-N 2 1 278.484 3.523 20 0 CHADMP CC(C)[C@H](C[NH2+][C@H]1CCC[C@@H]1CCCF)[NH+]1CCCC1 ZINC000510755334 1118808568 /nfs/dbraw/zinc/80/85/68/1118808568.db2.gz ORSPRPJBLPDRME-IKGGRYGDSA-N 2 1 284.463 3.615 20 0 CHADMP CCC1([NH+]2CCCC2)CC[NH+](CCCOC(C)(C)C)CC1 ZINC000639986764 1118866089 /nfs/dbraw/zinc/86/60/89/1118866089.db2.gz RFNUDXLROFTQAI-UHFFFAOYSA-N 2 1 296.499 3.532 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[C@H]1C1CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510947023 1118872165 /nfs/dbraw/zinc/87/21/65/1118872165.db2.gz XKHIRBKSUXYQQZ-OYSPMZIOSA-N 2 1 290.495 3.808 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510947013 1118872670 /nfs/dbraw/zinc/87/26/70/1118872670.db2.gz XKHIRBKSUXYQQZ-IAAVTCLWSA-N 2 1 290.495 3.808 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000535763853 1118882173 /nfs/dbraw/zinc/88/21/73/1118882173.db2.gz QFBOLHZEJUKXCD-LJQANCHMSA-N 2 1 297.446 3.981 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000535763853 1118882180 /nfs/dbraw/zinc/88/21/80/1118882180.db2.gz QFBOLHZEJUKXCD-LJQANCHMSA-N 2 1 297.446 3.981 20 0 CHADMP Cc1ccc(C(C)(C)C[N@@H+](C)CC[C@@H]2CCC[NH+]2C)cc1 ZINC001167504130 1118944343 /nfs/dbraw/zinc/94/43/43/1118944343.db2.gz IFVHUQMSLNNZJA-SFHVURJKSA-N 2 1 288.479 3.689 20 0 CHADMP Cc1ccc(C(C)(C)C[NH+](C)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001167504130 1118944344 /nfs/dbraw/zinc/94/43/44/1118944344.db2.gz IFVHUQMSLNNZJA-SFHVURJKSA-N 2 1 288.479 3.689 20 0 CHADMP Cc1ccc(C(C)(C)C[NH+](C)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC001167504130 1118944348 /nfs/dbraw/zinc/94/43/48/1118944348.db2.gz IFVHUQMSLNNZJA-SFHVURJKSA-N 2 1 288.479 3.689 20 0 CHADMP CCC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(F)cc1F ZINC000342271748 1118964298 /nfs/dbraw/zinc/96/42/98/1118964298.db2.gz XZSHLKWLSYVEHD-WMLDXEAASA-N 2 1 296.405 3.880 20 0 CHADMP CCC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(F)cc1F ZINC000342271748 1118964301 /nfs/dbraw/zinc/96/43/01/1118964301.db2.gz XZSHLKWLSYVEHD-WMLDXEAASA-N 2 1 296.405 3.880 20 0 CHADMP Cc1ccoc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000380910188 1118964817 /nfs/dbraw/zinc/96/48/17/1118964817.db2.gz KVXBPILLPDLELZ-SFHVURJKSA-N 2 1 298.430 3.590 20 0 CHADMP Cc1ccoc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000380910188 1118964819 /nfs/dbraw/zinc/96/48/19/1118964819.db2.gz KVXBPILLPDLELZ-SFHVURJKSA-N 2 1 298.430 3.590 20 0 CHADMP C1CC(C2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)C1 ZINC000657313321 1118987890 /nfs/dbraw/zinc/98/78/90/1118987890.db2.gz IWDKUPYMMVWWCB-ZGUYJTEBSA-N 2 1 276.468 3.562 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH+]1CC(C)(C)CC(C)(C)C1 ZINC000342367609 1118993812 /nfs/dbraw/zinc/99/38/12/1118993812.db2.gz ZDHVFVCCWIIQNO-UHFFFAOYSA-N 2 1 277.456 3.730 20 0 CHADMP CC[NH+]1CCC([N@H+](C)C[C@H](C)c2ccc(C)cc2)CC1 ZINC000628128507 1128814876 /nfs/dbraw/zinc/81/48/76/1128814876.db2.gz ISTOZECXFDQQHL-INIZCTEOSA-N 2 1 274.452 3.515 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)C[C@H](C)c2ccc(C)cc2)CC1 ZINC000628128507 1128814880 /nfs/dbraw/zinc/81/48/80/1128814880.db2.gz ISTOZECXFDQQHL-INIZCTEOSA-N 2 1 274.452 3.515 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCC(C2CCC2)CC1 ZINC000657347046 1119016340 /nfs/dbraw/zinc/01/63/40/1119016340.db2.gz MMKXCTBEVDZJFR-RWBZWWBESA-N 2 1 289.467 3.776 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC001167575543 1119085556 /nfs/dbraw/zinc/08/55/56/1119085556.db2.gz CSHYGTYEQXZZPG-MLHJIOFPSA-N 2 1 280.500 3.722 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1CC(F)(F)C1 ZINC000628202984 1128826797 /nfs/dbraw/zinc/82/67/97/1128826797.db2.gz OYIZLIZGJCLMEM-KGLIPLIRSA-N 2 1 288.426 3.664 20 0 CHADMP C[C@H](c1cccs1)[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000688008421 1128827731 /nfs/dbraw/zinc/82/77/31/1128827731.db2.gz WMHQPDZXKAPFIF-LLVKDONJSA-N 2 1 292.473 3.648 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000342859381 1119212117 /nfs/dbraw/zinc/21/21/17/1119212117.db2.gz JJOFMUWTTFLJTO-VQIMIIECSA-N 2 1 297.446 3.535 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000342859381 1119212121 /nfs/dbraw/zinc/21/21/21/1119212121.db2.gz JJOFMUWTTFLJTO-VQIMIIECSA-N 2 1 297.446 3.535 20 0 CHADMP CCC[N@H+](CCCn1cc[nH+]c1C)[C@H]1CCc2ccccc21 ZINC000342859891 1119212575 /nfs/dbraw/zinc/21/25/75/1119212575.db2.gz KXCNJFPIIGNDKT-IBGZPJMESA-N 2 1 297.446 3.981 20 0 CHADMP CCC[N@@H+](CCCn1cc[nH+]c1C)[C@H]1CCc2ccccc21 ZINC000342859891 1119212576 /nfs/dbraw/zinc/21/25/76/1119212576.db2.gz KXCNJFPIIGNDKT-IBGZPJMESA-N 2 1 297.446 3.981 20 0 CHADMP CCC[N@H+](CCCn1cc[nH+]c1C)Cc1ccc(F)cc1 ZINC000342858731 1119213516 /nfs/dbraw/zinc/21/35/16/1119213516.db2.gz BPLNJGAZPBDOIG-UHFFFAOYSA-N 2 1 289.398 3.633 20 0 CHADMP CCC[N@@H+](CCCn1cc[nH+]c1C)Cc1ccc(F)cc1 ZINC000342858731 1119213518 /nfs/dbraw/zinc/21/35/18/1119213518.db2.gz BPLNJGAZPBDOIG-UHFFFAOYSA-N 2 1 289.398 3.633 20 0 CHADMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2ccccc2C)CC1 ZINC000342863304 1119217050 /nfs/dbraw/zinc/21/70/50/1119217050.db2.gz HRBFWSPXFUXCCW-UHFFFAOYSA-N 2 1 297.446 3.770 20 0 CHADMP CCC[N@@H+](CCCn1ccnc1)CC1CCCCC1 ZINC000343164260 1119335776 /nfs/dbraw/zinc/33/57/76/1119335776.db2.gz VDGSKQCIUWYWBV-UHFFFAOYSA-N 2 1 263.429 3.566 20 0 CHADMP CC1(C)C[C@@]1(C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657761861 1119362007 /nfs/dbraw/zinc/36/20/07/1119362007.db2.gz TXKANVGTMNRTQM-IEBWSBKVSA-N 2 1 298.474 3.962 20 0 CHADMP CC1(C)C[C@@]1(C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657761861 1119362011 /nfs/dbraw/zinc/36/20/11/1119362011.db2.gz TXKANVGTMNRTQM-IEBWSBKVSA-N 2 1 298.474 3.962 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C(C)(C)c2ccccc2)C1 ZINC000151098619 1119393916 /nfs/dbraw/zinc/39/39/16/1119393916.db2.gz JXHYHKFVKKVEIZ-DLBZAZTESA-N 2 1 288.479 3.674 20 0 CHADMP Cc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657799758 1119423875 /nfs/dbraw/zinc/42/38/75/1119423875.db2.gz YUGNENWILYIACM-MDZRGWNJSA-N 2 1 284.447 3.589 20 0 CHADMP Cc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657799756 1119424214 /nfs/dbraw/zinc/42/42/14/1119424214.db2.gz YUGNENWILYIACM-GJYPPUQNSA-N 2 1 284.447 3.589 20 0 CHADMP [NH3+]CC[C@H]1CCC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000261856262 1119435278 /nfs/dbraw/zinc/43/52/78/1119435278.db2.gz FEIKOEBCZKYIBE-OAHLLOKOSA-N 2 1 292.426 3.817 20 0 CHADMP CC(C)c1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000252916159 1119449495 /nfs/dbraw/zinc/44/94/95/1119449495.db2.gz BBPAMZYKLQRATP-IAGOWNOFSA-N 2 1 260.425 3.512 20 0 CHADMP CC(C)c1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000252916159 1119449498 /nfs/dbraw/zinc/44/94/98/1119449498.db2.gz BBPAMZYKLQRATP-IAGOWNOFSA-N 2 1 260.425 3.512 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(Cl)s1 ZINC000623348727 1119461303 /nfs/dbraw/zinc/46/13/03/1119461303.db2.gz JEILBNIUQUIHQC-WDEREUQCSA-N 2 1 286.872 3.925 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(Cl)s1 ZINC000623348727 1119461305 /nfs/dbraw/zinc/46/13/05/1119461305.db2.gz JEILBNIUQUIHQC-WDEREUQCSA-N 2 1 286.872 3.925 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)CC1(C)C ZINC000623352640 1119461730 /nfs/dbraw/zinc/46/17/30/1119461730.db2.gz IUHYHTXHSATQFX-BPCQOVAHSA-N 2 1 292.389 3.570 20 0 CHADMP CCC(CC)[C@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)[NH+](C)C ZINC000657832229 1119482442 /nfs/dbraw/zinc/48/24/42/1119482442.db2.gz JVLBHGRUKQYJPC-AAEUAGOBSA-N 2 1 278.431 3.622 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](C(C)(C)C)CC2)C1 ZINC000250704454 1119483413 /nfs/dbraw/zinc/48/34/13/1119483413.db2.gz PEFMSPPAMDWQOK-ZACQAIPSSA-N 2 1 280.500 3.913 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCC23CC3)cc1F ZINC000657849857 1119510159 /nfs/dbraw/zinc/51/01/59/1119510159.db2.gz CUTNXTUHOQYWNM-QGZVFWFLSA-N 2 1 299.393 3.742 20 0 CHADMP CC(C)C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000167982120 1119519241 /nfs/dbraw/zinc/51/92/41/1119519241.db2.gz KFNIXPYSHGBLMA-UHFFFAOYSA-N 2 1 280.843 3.550 20 0 CHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC000081632336 1119519699 /nfs/dbraw/zinc/51/96/99/1119519699.db2.gz YBLIJQRIVLIMHP-MRXNPFEDSA-N 2 1 292.854 3.504 20 0 CHADMP C[C@H]1CCC[NH+]1Cc1cccc(C[N@@H+]2CCC[C@@H]2C)c1 ZINC000138724813 1119579376 /nfs/dbraw/zinc/57/93/76/1119579376.db2.gz OTWSOPPFAYYKDG-HOTGVXAUSA-N 2 1 272.436 3.655 20 0 CHADMP C[C@@H](CC1CCC1)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000128639259 1119580960 /nfs/dbraw/zinc/58/09/60/1119580960.db2.gz JQGACRMPVYVAJU-INIZCTEOSA-N 2 1 274.452 3.677 20 0 CHADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCCSCC1 ZINC000657874081 1119588572 /nfs/dbraw/zinc/58/85/72/1119588572.db2.gz YAUIBBQOKQCRKZ-HOTGVXAUSA-N 2 1 284.513 3.516 20 0 CHADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCCSCC1 ZINC000657874081 1119588575 /nfs/dbraw/zinc/58/85/75/1119588575.db2.gz YAUIBBQOKQCRKZ-HOTGVXAUSA-N 2 1 284.513 3.516 20 0 CHADMP C[C@H](CCC1CC1)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647343687 1119597490 /nfs/dbraw/zinc/59/74/90/1119597490.db2.gz AECOFQNSHLCTER-LZQZEXGQSA-N 2 1 286.463 3.500 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000685455661 1119611073 /nfs/dbraw/zinc/61/10/73/1119611073.db2.gz DYEPLTZXKGRUAL-YESZJQIVSA-N 2 1 268.489 3.767 20 0 CHADMP Cc1cc(Cl)ccc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000685470666 1119612695 /nfs/dbraw/zinc/61/26/95/1119612695.db2.gz FUWHRUYYXLZPAO-NVXWUHKLSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000685470666 1119612696 /nfs/dbraw/zinc/61/26/96/1119612696.db2.gz FUWHRUYYXLZPAO-NVXWUHKLSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000685470666 1119612698 /nfs/dbraw/zinc/61/26/98/1119612698.db2.gz FUWHRUYYXLZPAO-NVXWUHKLSA-N 2 1 292.854 3.565 20 0 CHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)c1cccnc1 ZINC000685469952 1119612724 /nfs/dbraw/zinc/61/27/24/1119612724.db2.gz XUFBYINMCGMJQP-INIZCTEOSA-N 2 1 297.446 3.726 20 0 CHADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(Cl)cc1Cl ZINC000271878069 1119614970 /nfs/dbraw/zinc/61/49/70/1119614970.db2.gz OSDIIKGDOUKOQE-LLVKDONJSA-N 2 1 299.245 3.906 20 0 CHADMP CC(C)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001258155284 1128862330 /nfs/dbraw/zinc/86/23/30/1128862330.db2.gz BRIWBUDRVVYVOH-XABIJQAGSA-N 2 1 266.473 3.791 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000164629028 1119778647 /nfs/dbraw/zinc/77/86/47/1119778647.db2.gz KQYUMEBVYBCPRS-RTBURBONSA-N 2 1 297.446 3.898 20 0 CHADMP C[C@@H](c1ccccc1)[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000688048873 1128870840 /nfs/dbraw/zinc/87/08/40/1128870840.db2.gz NDZQMKDWZXRADJ-ZDUSSCGKSA-N 2 1 286.444 3.587 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000309761419 1119835444 /nfs/dbraw/zinc/83/54/44/1119835444.db2.gz YDSGLAYKFNZYST-MOPGFXCFSA-N 2 1 288.479 3.923 20 0 CHADMP CC[C@@H]1C[N@@H+](C[C@H](C)c2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000647497464 1119847866 /nfs/dbraw/zinc/84/78/66/1119847866.db2.gz IOLAGWCVQOYTGR-ZENOOKHLSA-N 2 1 280.843 3.503 20 0 CHADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@H]1C[C@@H]1C ZINC000414102894 1119899208 /nfs/dbraw/zinc/89/92/08/1119899208.db2.gz DEVQZGYMPSXXEN-INSJMTBZSA-N 2 1 278.484 3.664 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000414181135 1119928777 /nfs/dbraw/zinc/92/87/77/1119928777.db2.gz LVKMMOGDDKMWET-RVKKMQEKSA-N 2 1 272.436 3.556 20 0 CHADMP CC(C)CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000414181148 1119928897 /nfs/dbraw/zinc/92/88/97/1119928897.db2.gz MAHHAGZRHVJFFZ-WBVHZDCISA-N 2 1 266.473 3.523 20 0 CHADMP CCC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C(C)(C)C ZINC000414199283 1119935415 /nfs/dbraw/zinc/93/54/15/1119935415.db2.gz WRPJWGNOBYHZKC-LSDHHAIUSA-N 2 1 254.462 3.523 20 0 CHADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc12 ZINC000414210418 1119941370 /nfs/dbraw/zinc/94/13/70/1119941370.db2.gz MWTKPRBJADWUKM-WBVHZDCISA-N 2 1 282.431 3.721 20 0 CHADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c2ccccc12 ZINC000414216197 1119943480 /nfs/dbraw/zinc/94/34/80/1119943480.db2.gz YYXVNLJBOOWTNR-KXBFYZLASA-N 2 1 282.431 3.578 20 0 CHADMP Cc1occc1C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000414280379 1119963824 /nfs/dbraw/zinc/96/38/24/1119963824.db2.gz CXVVTEVXGXCWES-UHFFFAOYSA-N 2 1 286.419 3.718 20 0 CHADMP CC(C)[NH+](CC[NH2+][C@H]1CCC[C@H](C)CC1)C(C)C ZINC000086878141 1120035112 /nfs/dbraw/zinc/03/51/12/1120035112.db2.gz RBWCEZRPQBSTLW-HOTGVXAUSA-N 2 1 254.462 3.664 20 0 CHADMP C[C@H](CC[NH2+][C@H](C)c1cccnc1)[N@H+](C)Cc1ccccc1 ZINC000177465421 1120037644 /nfs/dbraw/zinc/03/76/44/1120037644.db2.gz LFOCYZQUDRQVQA-IAGOWNOFSA-N 2 1 297.446 3.643 20 0 CHADMP C[C@H](CC[NH2+][C@H](C)c1cccnc1)[N@@H+](C)Cc1ccccc1 ZINC000177465421 1120037650 /nfs/dbraw/zinc/03/76/50/1120037650.db2.gz LFOCYZQUDRQVQA-IAGOWNOFSA-N 2 1 297.446 3.643 20 0 CHADMP C(CC1CCCCCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000377544645 1120051110 /nfs/dbraw/zinc/05/11/10/1120051110.db2.gz VMGMMOLREKTZCQ-IAGOWNOFSA-N 2 1 264.457 3.563 20 0 CHADMP CCC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000624119414 1120051418 /nfs/dbraw/zinc/05/14/18/1120051418.db2.gz AWTBKMGPSGUCIL-SJLPKXTDSA-N 2 1 274.452 3.849 20 0 CHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)C1 ZINC000624122682 1120103871 /nfs/dbraw/zinc/10/38/71/1120103871.db2.gz YOEOFPCFBQMMFC-NZSAHSFTSA-N 2 1 286.463 3.644 20 0 CHADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000580301819 1120161210 /nfs/dbraw/zinc/16/12/10/1120161210.db2.gz NMAUEARWLGQVLE-SNVBAGLBSA-N 2 1 275.223 3.644 20 0 CHADMP C[C@H](c1ccc(F)cc1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000472763745 1120164802 /nfs/dbraw/zinc/16/48/02/1120164802.db2.gz NIBZMXJGWWIEQP-PBHICJAKSA-N 2 1 278.415 3.693 20 0 CHADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000472763745 1120164806 /nfs/dbraw/zinc/16/48/06/1120164806.db2.gz NIBZMXJGWWIEQP-PBHICJAKSA-N 2 1 278.415 3.693 20 0 CHADMP C[C@H](c1ccc(F)cc1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000472763745 1120164809 /nfs/dbraw/zinc/16/48/09/1120164809.db2.gz NIBZMXJGWWIEQP-PBHICJAKSA-N 2 1 278.415 3.693 20 0 CHADMP C[C@H](c1ccc(F)cc1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000472763745 1120164811 /nfs/dbraw/zinc/16/48/11/1120164811.db2.gz NIBZMXJGWWIEQP-PBHICJAKSA-N 2 1 278.415 3.693 20 0 CHADMP [NH3+]C1(C[NH2+][C@H]2CCSc3c(Cl)cccc32)CCCC1 ZINC000665249361 1120182726 /nfs/dbraw/zinc/18/27/26/1120182726.db2.gz OLZWKELFJUYPMU-ZDUSSCGKSA-N 2 1 296.867 3.738 20 0 CHADMP CCC[N@H+](Cc1ccc(Cl)c(C)c1C)C[C@H]1CC[NH2+]C1 ZINC001236842290 1128905031 /nfs/dbraw/zinc/90/50/31/1128905031.db2.gz DOOSYHGGWFARNY-HNNXBMFYSA-N 2 1 294.870 3.778 20 0 CHADMP C[N@H+](Cc1cccc2ccccc21)C[C@@H]1CCC[NH+](C)C1 ZINC000112657984 1120292218 /nfs/dbraw/zinc/29/22/18/1120292218.db2.gz YXULIIGYCFTLIZ-MRXNPFEDSA-N 2 1 282.431 3.613 20 0 CHADMP C[NH+](Cc1cccc2ccccc21)C[C@@H]1CCC[N@H+](C)C1 ZINC000112657984 1120292220 /nfs/dbraw/zinc/29/22/20/1120292220.db2.gz YXULIIGYCFTLIZ-MRXNPFEDSA-N 2 1 282.431 3.613 20 0 CHADMP C[NH+](Cc1cccc2ccccc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC000112657984 1120292223 /nfs/dbraw/zinc/29/22/23/1120292223.db2.gz YXULIIGYCFTLIZ-MRXNPFEDSA-N 2 1 282.431 3.613 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000338776016 1120297178 /nfs/dbraw/zinc/29/71/78/1120297178.db2.gz JEXAOJVSVQYUAJ-ATZDWAIDSA-N 2 1 297.446 3.754 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000181741630 1120303939 /nfs/dbraw/zinc/30/39/39/1120303939.db2.gz GTKCRORRHZHCMO-SJORKVTESA-N 2 1 298.434 3.634 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccc(SC)c2)C1 ZINC000659973616 1120318303 /nfs/dbraw/zinc/31/83/03/1120318303.db2.gz DJGWJNUMDXKBID-INIZCTEOSA-N 2 1 292.492 3.572 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc(SC)c2)C1 ZINC000659973616 1120318307 /nfs/dbraw/zinc/31/83/07/1120318307.db2.gz DJGWJNUMDXKBID-INIZCTEOSA-N 2 1 292.492 3.572 20 0 CHADMP C[N@@H+](CC1CC=CC1)[C@@H]1CCC[NH+](CC2CC=CC2)CC1 ZINC000660125895 1120388716 /nfs/dbraw/zinc/38/87/16/1120388716.db2.gz QKWSTJCWZALTNT-LJQANCHMSA-N 2 1 288.479 3.705 20 0 CHADMP C[NH+](CC1CC=CC1)[C@@H]1CCC[N@H+](CC2CC=CC2)CC1 ZINC000660125895 1120388721 /nfs/dbraw/zinc/38/87/21/1120388721.db2.gz QKWSTJCWZALTNT-LJQANCHMSA-N 2 1 288.479 3.705 20 0 CHADMP C[NH+](CC1CC=CC1)[C@@H]1CCC[N@@H+](CC2CC=CC2)CC1 ZINC000660125895 1120388726 /nfs/dbraw/zinc/38/87/26/1120388726.db2.gz QKWSTJCWZALTNT-LJQANCHMSA-N 2 1 288.479 3.705 20 0 CHADMP CCCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000584669053 1120404492 /nfs/dbraw/zinc/40/44/92/1120404492.db2.gz FFUAFRDIYOHWGP-QZTJIDSGSA-N 2 1 286.463 3.992 20 0 CHADMP CCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000584669053 1120404495 /nfs/dbraw/zinc/40/44/95/1120404495.db2.gz FFUAFRDIYOHWGP-QZTJIDSGSA-N 2 1 286.463 3.992 20 0 CHADMP CCC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)[C@@H]1CC1(C)C ZINC000417306406 1120424830 /nfs/dbraw/zinc/42/48/30/1120424830.db2.gz GDKYBTOGNNZFHS-JKSUJKDBSA-N 2 1 277.456 3.776 20 0 CHADMP CCC[C@H](C)CCC[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564167 1128915575 /nfs/dbraw/zinc/91/55/75/1128915575.db2.gz RTKOLNLZPGCHEJ-MJBXVCDLSA-N 2 1 294.405 3.662 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C3CC3)cc2)CC1 ZINC000417354783 1120434093 /nfs/dbraw/zinc/43/40/93/1120434093.db2.gz MQLAWPJRFCPPNC-AWEZNQCLSA-N 2 1 272.436 3.699 20 0 CHADMP CCCC1CCC([N@H+](C)CCCc2c[nH+]cn2C)CC1 ZINC000584787494 1120447754 /nfs/dbraw/zinc/44/77/54/1120447754.db2.gz FKNKKDHKTPUTPO-UHFFFAOYSA-N 2 1 277.456 3.643 20 0 CHADMP CCCC1CCC([N@@H+](C)CCCc2c[nH+]cn2C)CC1 ZINC000584787494 1120447756 /nfs/dbraw/zinc/44/77/56/1120447756.db2.gz FKNKKDHKTPUTPO-UHFFFAOYSA-N 2 1 277.456 3.643 20 0 CHADMP CCC(CC)[C@H](C[NH2+][C@H]1CCC[C@@H](C)C1)[NH+](C)C ZINC000019979484 1120502807 /nfs/dbraw/zinc/50/28/07/1120502807.db2.gz SJFGSBQIICVXFM-KBMXLJTQSA-N 2 1 254.462 3.521 20 0 CHADMP CCC[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000500073871 1120504470 /nfs/dbraw/zinc/50/44/70/1120504470.db2.gz JBGPKGFWQSQUMT-YESZJQIVSA-N 2 1 266.473 3.761 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCSC2CCCCC2)C[C@H]1C ZINC000500093431 1120509246 /nfs/dbraw/zinc/50/92/46/1120509246.db2.gz SGQOYUCSZTYTOO-HZPDHXFCSA-N 2 1 298.540 3.857 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCSC2CCCCC2)C[C@H]1C ZINC000500093431 1120509247 /nfs/dbraw/zinc/50/92/47/1120509247.db2.gz SGQOYUCSZTYTOO-HZPDHXFCSA-N 2 1 298.540 3.857 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCSC2CCCCC2)C[C@H]1C ZINC000500093431 1120509250 /nfs/dbraw/zinc/50/92/50/1120509250.db2.gz SGQOYUCSZTYTOO-HZPDHXFCSA-N 2 1 298.540 3.857 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1csc(Cl)c1 ZINC000191166084 1120515992 /nfs/dbraw/zinc/51/59/92/1120515992.db2.gz YVPKEETZIMREKI-MNOVXSKESA-N 2 1 284.856 3.536 20 0 CHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C(C)(C)C(F)F ZINC000657824546 1120533235 /nfs/dbraw/zinc/53/32/35/1120533235.db2.gz UOCTXSGOHRWBDX-OLZOCXBDSA-N 2 1 276.415 3.520 20 0 CHADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(Cl)s1 ZINC000543484579 1120533562 /nfs/dbraw/zinc/53/35/62/1120533562.db2.gz CMUJEKUHXLBRFB-NWDGAFQWSA-N 2 1 286.872 3.927 20 0 CHADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(Cl)s1 ZINC000543484581 1120533795 /nfs/dbraw/zinc/53/37/95/1120533795.db2.gz CMUJEKUHXLBRFB-RYUDHWBXSA-N 2 1 286.872 3.927 20 0 CHADMP Cc1cc2cc[nH]c2c(NCCC[N@@H+]2CCCC[C@H]2C)[nH+]1 ZINC001167751346 1120540394 /nfs/dbraw/zinc/54/03/94/1120540394.db2.gz JWDHUFWTSRKGFQ-CQSZACIVSA-N 2 1 286.423 3.548 20 0 CHADMP Cc1c2[nH+]c[nH]c2ccc1NCCC[N@@H+]1CCCC[C@H]1C ZINC001167752922 1120545648 /nfs/dbraw/zinc/54/56/48/1120545648.db2.gz IYQIOSXOQOASNJ-CYBMUJFWSA-N 2 1 286.423 3.548 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCNc1cc[nH+]c(C2CC2)c1 ZINC001167753712 1120549515 /nfs/dbraw/zinc/54/95/15/1120549515.db2.gz LZFGQEXZKDTXQS-CQSZACIVSA-N 2 1 273.424 3.635 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000499910785 1120550455 /nfs/dbraw/zinc/55/04/55/1120550455.db2.gz CPQJXMAXHUXWTR-QGZVFWFLSA-N 2 1 278.415 3.695 20 0 CHADMP C[C@H](c1cccs1)[N@H+](C)CCC[NH+]1CCCCC1 ZINC000193472946 1120571704 /nfs/dbraw/zinc/57/17/04/1120571704.db2.gz PIHBXOAVNGWDFZ-CQSZACIVSA-N 2 1 266.454 3.617 20 0 CHADMP C[C@H](c1cccs1)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000193472946 1120571707 /nfs/dbraw/zinc/57/17/07/1120571707.db2.gz PIHBXOAVNGWDFZ-CQSZACIVSA-N 2 1 266.454 3.617 20 0 CHADMP C[C@H](Cc1ccccc1F)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000253361705 1128928572 /nfs/dbraw/zinc/92/85/72/1128928572.db2.gz DQIXJTBJPUEBKE-HZPDHXFCSA-N 2 1 292.442 3.611 20 0 CHADMP Cc1cc(Cl)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000509066016 1120622968 /nfs/dbraw/zinc/62/29/68/1120622968.db2.gz CMQOAAKQIKGEAK-WBVHZDCISA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(Cl)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000509066016 1120622969 /nfs/dbraw/zinc/62/29/69/1120622969.db2.gz CMQOAAKQIKGEAK-WBVHZDCISA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000509066016 1120622972 /nfs/dbraw/zinc/62/29/72/1120622972.db2.gz CMQOAAKQIKGEAK-WBVHZDCISA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000509066016 1120622975 /nfs/dbraw/zinc/62/29/75/1120622975.db2.gz CMQOAAKQIKGEAK-WBVHZDCISA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(Cl)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000509066015 1120623141 /nfs/dbraw/zinc/62/31/41/1120623141.db2.gz CMQOAAKQIKGEAK-RDJZCZTQSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(Cl)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000509066015 1120623143 /nfs/dbraw/zinc/62/31/43/1120623143.db2.gz CMQOAAKQIKGEAK-RDJZCZTQSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000509066015 1120623147 /nfs/dbraw/zinc/62/31/47/1120623147.db2.gz CMQOAAKQIKGEAK-RDJZCZTQSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000509066015 1120623149 /nfs/dbraw/zinc/62/31/49/1120623149.db2.gz CMQOAAKQIKGEAK-RDJZCZTQSA-N 2 1 292.854 3.565 20 0 CHADMP CCC[C@H](C)CCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000625213102 1120645566 /nfs/dbraw/zinc/64/55/66/1120645566.db2.gz KPCLCMTWELOAHM-HRCADAONSA-N 2 1 254.462 3.617 20 0 CHADMP CCC[C@H](C)CCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000625213102 1120645571 /nfs/dbraw/zinc/64/55/71/1120645571.db2.gz KPCLCMTWELOAHM-HRCADAONSA-N 2 1 254.462 3.617 20 0 CHADMP CCC[C@H](C)CCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000625213102 1120645573 /nfs/dbraw/zinc/64/55/73/1120645573.db2.gz KPCLCMTWELOAHM-HRCADAONSA-N 2 1 254.462 3.617 20 0 CHADMP CCC[C@H](C)CCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000625213102 1120645575 /nfs/dbraw/zinc/64/55/75/1120645575.db2.gz KPCLCMTWELOAHM-HRCADAONSA-N 2 1 254.462 3.617 20 0 CHADMP CC[NH+]1CCC([N@H+](C)CCCc2ccccc2Cl)CC1 ZINC000544143846 1120665138 /nfs/dbraw/zinc/66/51/38/1120665138.db2.gz QSFKHNAJXUTBNU-UHFFFAOYSA-N 2 1 294.870 3.689 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)CCCc2ccccc2Cl)CC1 ZINC000544143846 1120665139 /nfs/dbraw/zinc/66/51/39/1120665139.db2.gz QSFKHNAJXUTBNU-UHFFFAOYSA-N 2 1 294.870 3.689 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cccc3ccccc32)[C@@H](C)C1 ZINC000247111227 1120874566 /nfs/dbraw/zinc/87/45/66/1120874566.db2.gz QPMDFNYMCFJGJL-JXFKEZNVSA-N 2 1 296.458 3.702 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252786823 1120885617 /nfs/dbraw/zinc/88/56/17/1120885617.db2.gz VUAKBSMIFONPSO-SQWLQELKSA-N 2 1 268.404 3.570 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1CC1CCC1 ZINC000662158783 1120888295 /nfs/dbraw/zinc/88/82/95/1120888295.db2.gz XFKLCXVTTPJWBE-KRWDZBQOSA-N 2 1 275.440 3.626 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1CC1CCC1 ZINC000662158783 1120888297 /nfs/dbraw/zinc/88/82/97/1120888297.db2.gz XFKLCXVTTPJWBE-KRWDZBQOSA-N 2 1 275.440 3.626 20 0 CHADMP CCCC[C@H](CC)C[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000233003534 1120893406 /nfs/dbraw/zinc/89/34/06/1120893406.db2.gz IDZRLAIGWCTUIP-JKSUJKDBSA-N 2 1 254.462 3.665 20 0 CHADMP CCCC[C@H](CC)C[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000233003534 1120893411 /nfs/dbraw/zinc/89/34/11/1120893411.db2.gz IDZRLAIGWCTUIP-JKSUJKDBSA-N 2 1 254.462 3.665 20 0 CHADMP CC(C)(C[N@@H+]1CCC[NH2+]CC1)Sc1ccc(Cl)cc1 ZINC001204655134 1120905774 /nfs/dbraw/zinc/90/57/74/1120905774.db2.gz XDYHNSVYWXPDBM-UHFFFAOYSA-N 2 1 298.883 3.506 20 0 CHADMP CC(C)(C[N@H+]1CCC[NH2+]CC1)Sc1ccc(Cl)cc1 ZINC001204655134 1120905777 /nfs/dbraw/zinc/90/57/77/1120905777.db2.gz XDYHNSVYWXPDBM-UHFFFAOYSA-N 2 1 298.883 3.506 20 0 CHADMP C[C@@H](C[N@@H+](C)Cc1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000662255843 1120913006 /nfs/dbraw/zinc/91/30/06/1120913006.db2.gz FENDGHNCOWNKAW-INIZCTEOSA-N 2 1 294.442 3.568 20 0 CHADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296525 1120921395 /nfs/dbraw/zinc/92/13/95/1120921395.db2.gz LRBHRUUGSDBYJD-RHSMWYFYSA-N 2 1 290.426 3.598 20 0 CHADMP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297265 1120921640 /nfs/dbraw/zinc/92/16/40/1120921640.db2.gz OWSPVMYUVLZKNH-PBHICJAKSA-N 2 1 290.426 3.598 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@H](C)c2sc(CC)nc2C)CC1 ZINC000161590872 1120923696 /nfs/dbraw/zinc/92/36/96/1120923696.db2.gz WSXBOTKFMDXSAJ-GFCCVEGCSA-N 2 1 295.496 3.539 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000221910682 1120934388 /nfs/dbraw/zinc/93/43/88/1120934388.db2.gz IZPHRVTUGJMGOO-HNNXBMFYSA-N 2 1 262.441 3.630 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000221923057 1120937494 /nfs/dbraw/zinc/93/74/94/1120937494.db2.gz JXVAKJGUDOZAMF-ZDUSSCGKSA-N 2 1 291.464 3.677 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000221923057 1120937497 /nfs/dbraw/zinc/93/74/97/1120937497.db2.gz JXVAKJGUDOZAMF-ZDUSSCGKSA-N 2 1 291.464 3.677 20 0 CHADMP CC1(C)C[C@]1([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000663340720 1120939980 /nfs/dbraw/zinc/93/99/80/1120939980.db2.gz DATSSAJUVGKWFA-LNLFQRSKSA-N 2 1 284.447 3.528 20 0 CHADMP Cc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1C ZINC000663347678 1120942501 /nfs/dbraw/zinc/94/25/01/1120942501.db2.gz RYGQGRNCFLOZDW-SFHVURJKSA-N 2 1 286.463 3.515 20 0 CHADMP CCC[C@H](C)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390780246 1120978939 /nfs/dbraw/zinc/97/89/39/1120978939.db2.gz RMPQYDSGBVXGIW-JENIJYKNSA-N 2 1 288.479 3.923 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cs1 ZINC000663466201 1120981070 /nfs/dbraw/zinc/98/10/70/1120981070.db2.gz PJTPQZDJANHVGK-GOEBONIOSA-N 2 1 292.492 3.829 20 0 CHADMP C[C@H]([NH2+]CC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390788725 1120982176 /nfs/dbraw/zinc/98/21/76/1120982176.db2.gz DFVMLRDPHANGPI-RDJZCZTQSA-N 2 1 274.452 3.533 20 0 CHADMP Cc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468551 1120983866 /nfs/dbraw/zinc/98/38/66/1120983866.db2.gz MBTZAOUFMLRMEV-YLJYHZDGSA-N 2 1 298.474 3.694 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000663470179 1120984686 /nfs/dbraw/zinc/98/46/86/1120984686.db2.gz SSKHBUYHOKMJMM-IEBWSBKVSA-N 2 1 286.463 3.849 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccs1 ZINC000663469943 1120985018 /nfs/dbraw/zinc/98/50/18/1120985018.db2.gz RTRHVCPWJAATJV-ZFWWWQNUSA-N 2 1 278.465 3.521 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(C)o1 ZINC000663471752 1120985639 /nfs/dbraw/zinc/98/56/39/1120985639.db2.gz XSZQPXMZKLPVSZ-YOEHRIQHSA-N 2 1 290.451 3.669 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(C)o1 ZINC000663471752 1120985643 /nfs/dbraw/zinc/98/56/43/1120985643.db2.gz XSZQPXMZKLPVSZ-YOEHRIQHSA-N 2 1 290.451 3.669 20 0 CHADMP CC(C)c1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925777847 1120986376 /nfs/dbraw/zinc/98/63/76/1120986376.db2.gz HOFQEBWWDJNZIO-BBRMVZONSA-N 2 1 296.405 3.705 20 0 CHADMP CC[C@@H]1CCC[N@H+]([C@H](C)CCC[NH+](CC)CC)C1 ZINC001167837811 1121041071 /nfs/dbraw/zinc/04/10/71/1121041071.db2.gz MVMJVUSIIPUTMN-HZPDHXFCSA-N 2 1 254.462 3.619 20 0 CHADMP CCCc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925781732 1120995014 /nfs/dbraw/zinc/99/50/14/1120995014.db2.gz ZXOUCLSEKKVGAO-XJKSGUPXSA-N 2 1 296.405 3.535 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](C)C[C@@H]1C ZINC001167824681 1120997667 /nfs/dbraw/zinc/99/76/67/1120997667.db2.gz FEEULBJOIWSSAK-PMPSAXMXSA-N 2 1 254.462 3.617 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2ccsc2C1 ZINC001167825181 1120999039 /nfs/dbraw/zinc/99/90/39/1120999039.db2.gz GURHDLHOBNDIPR-CQSZACIVSA-N 2 1 280.481 3.617 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCCC[C@@H]1C ZINC001167826612 1121001496 /nfs/dbraw/zinc/00/14/96/1121001496.db2.gz OZWPYYMQJABRJI-HOTGVXAUSA-N 2 1 254.462 3.761 20 0 CHADMP Cc1cccc(COc2ccc([C@H](C)[NH2+]C[C@H](C)[NH3+])cc2)c1 ZINC000643528804 1121008557 /nfs/dbraw/zinc/00/85/57/1121008557.db2.gz PCSCUHINTHOPBX-HOTGVXAUSA-N 2 1 298.430 3.572 20 0 CHADMP CC(C)C(C[NH2+]CC[N@H+](C)C1CCCCC1)C(C)C ZINC001648941745 1121053437 /nfs/dbraw/zinc/05/34/37/1121053437.db2.gz WSPNHDNUPHSYGQ-UHFFFAOYSA-N 2 1 268.489 3.769 20 0 CHADMP CC(C)C(C[NH2+]CC[N@@H+](C)C1CCCCC1)C(C)C ZINC001648941745 1121053444 /nfs/dbraw/zinc/05/34/44/1121053444.db2.gz WSPNHDNUPHSYGQ-UHFFFAOYSA-N 2 1 268.489 3.769 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)CCc1ccccc1F ZINC001167841982 1121062649 /nfs/dbraw/zinc/06/26/49/1121062649.db2.gz VJHJOJHOPOGMIS-MRXNPFEDSA-N 2 1 294.458 3.811 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2c(F)cccc2C1 ZINC001167842473 1121065427 /nfs/dbraw/zinc/06/54/27/1121065427.db2.gz XWLZITYDZAUOQK-OAHLLOKOSA-N 2 1 292.442 3.694 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C1 ZINC000344068763 1121070952 /nfs/dbraw/zinc/07/09/52/1121070952.db2.gz KJGOMPORGASAAO-OIISXLGYSA-N 2 1 277.456 3.634 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000037977310 1121095740 /nfs/dbraw/zinc/09/57/40/1121095740.db2.gz YNYPXWOLCOJKLK-KRWDZBQOSA-N 2 1 292.854 3.865 20 0 CHADMP CCCC[C@H](CC)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000251276607 1121108373 /nfs/dbraw/zinc/10/83/73/1121108373.db2.gz DPBFWCIVVJGBBV-CVEARBPZSA-N 2 1 254.462 3.809 20 0 CHADMP CC[C@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000658092744 1121155634 /nfs/dbraw/zinc/15/56/34/1121155634.db2.gz RMUXTDIUXRFOJI-CVEARBPZSA-N 2 1 260.425 3.600 20 0 CHADMP CC1(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CCC1 ZINC000434782336 1121172687 /nfs/dbraw/zinc/17/26/87/1121172687.db2.gz IHLAZTXWPJJCMP-OAHLLOKOSA-N 2 1 292.492 3.740 20 0 CHADMP CC1(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CCC1 ZINC000434782336 1121172689 /nfs/dbraw/zinc/17/26/89/1121172689.db2.gz IHLAZTXWPJJCMP-OAHLLOKOSA-N 2 1 292.492 3.740 20 0 CHADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+]([C@@H]4C=CCCC4)C3)C2)cc1 ZINC000512245953 1121224082 /nfs/dbraw/zinc/22/40/82/1121224082.db2.gz UDSZPGWSHSKQRB-WOJBJXKFSA-N 2 1 296.458 3.693 20 0 CHADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+]([C@@H]4C=CCCC4)C3)C2)cc1 ZINC000512245953 1121224085 /nfs/dbraw/zinc/22/40/85/1121224085.db2.gz UDSZPGWSHSKQRB-WOJBJXKFSA-N 2 1 296.458 3.693 20 0 CHADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+]([C@@H]4C=CCCC4)C3)C2)cc1 ZINC000512245953 1121224093 /nfs/dbraw/zinc/22/40/93/1121224093.db2.gz UDSZPGWSHSKQRB-WOJBJXKFSA-N 2 1 296.458 3.693 20 0 CHADMP C[C@H](Cc1ccsc1)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658228330 1121234172 /nfs/dbraw/zinc/23/41/72/1121234172.db2.gz HTUPMRUPTKQLRR-ZBFHGGJFSA-N 2 1 292.492 3.676 20 0 CHADMP C[C@H](Cc1ccsc1)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658228330 1121234177 /nfs/dbraw/zinc/23/41/77/1121234177.db2.gz HTUPMRUPTKQLRR-ZBFHGGJFSA-N 2 1 292.492 3.676 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2CCC(c3ccccc3)CC2)CC[N@@H+]1C ZINC000122890184 1121245878 /nfs/dbraw/zinc/24/58/78/1121245878.db2.gz RXMMEDPWJXGRBT-JYPHPWERSA-N 2 1 286.463 3.785 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2CCC(c3ccccc3)CC2)CC[N@H+]1C ZINC000122890184 1121245881 /nfs/dbraw/zinc/24/58/81/1121245881.db2.gz RXMMEDPWJXGRBT-JYPHPWERSA-N 2 1 286.463 3.785 20 0 CHADMP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000512391723 1121304439 /nfs/dbraw/zinc/30/44/39/1121304439.db2.gz PDBZINVTOMNSCR-FUHWJXTLSA-N 2 1 286.463 3.738 20 0 CHADMP Cc1cccc2c1CCC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000658340374 1121316298 /nfs/dbraw/zinc/31/62/98/1121316298.db2.gz NZQRGYXTRHOLID-LJQANCHMSA-N 2 1 284.447 3.589 20 0 CHADMP C[C@H](C[NH2+]Cc1cc(Cl)cs1)C[NH+]1CCCCC1 ZINC000093094847 1121329781 /nfs/dbraw/zinc/32/97/81/1121329781.db2.gz TZSVEZYBLGRCDL-GFCCVEGCSA-N 2 1 286.872 3.613 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2ccc(C)cc2C)[C@H](C)C1 ZINC000675733045 1121346101 /nfs/dbraw/zinc/34/61/01/1121346101.db2.gz XFORVNNBVIFLNS-IEBWSBKVSA-N 2 1 288.479 3.556 20 0 CHADMP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000675752229 1121350649 /nfs/dbraw/zinc/35/06/49/1121350649.db2.gz OCRXCISDEHHVNM-QYZOEREBSA-N 2 1 286.463 3.614 20 0 CHADMP CCc1cccc(Cl)c1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000432791476 1121356720 /nfs/dbraw/zinc/35/67/20/1121356720.db2.gz GPADNZVZDZHXSJ-HNNXBMFYSA-N 2 1 294.870 3.819 20 0 CHADMP CCc1cccc(Cl)c1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000432791476 1121356728 /nfs/dbraw/zinc/35/67/28/1121356728.db2.gz GPADNZVZDZHXSJ-HNNXBMFYSA-N 2 1 294.870 3.819 20 0 CHADMP Cc1scc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1C ZINC000631046879 1128980887 /nfs/dbraw/zinc/98/08/87/1128980887.db2.gz PHJADTCHQPFQHA-UHFFFAOYSA-N 2 1 280.481 3.717 20 0 CHADMP CCCC[C@@H](CCC)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675883404 1121380943 /nfs/dbraw/zinc/38/09/43/1121380943.db2.gz ZUFMVNLTXAJUGO-SJLPKXTDSA-N 2 1 296.499 3.578 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)s2)CC1 ZINC000432815801 1121383443 /nfs/dbraw/zinc/38/34/43/1121383443.db2.gz KHNNQZBBOJJUKD-AWEZNQCLSA-N 2 1 294.508 3.962 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)s2)CC1 ZINC000432815801 1121383449 /nfs/dbraw/zinc/38/34/49/1121383449.db2.gz KHNNQZBBOJJUKD-AWEZNQCLSA-N 2 1 294.508 3.962 20 0 CHADMP CSc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)o1 ZINC000893968130 1121448174 /nfs/dbraw/zinc/44/81/74/1121448174.db2.gz YNEUXKRCJJRTEI-UHFFFAOYSA-N 2 1 296.480 3.554 20 0 CHADMP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(O)c2)CC1 ZINC000894054627 1121461321 /nfs/dbraw/zinc/46/13/21/1121461321.db2.gz YUTGMLFWNWWIIZ-HNNXBMFYSA-N 2 1 290.451 3.553 20 0 CHADMP Cc1ccc([C@H](C)[N@@H+](C)CCCCCC[NH3+])c(C)c1 ZINC000710757076 1121474860 /nfs/dbraw/zinc/47/48/60/1121474860.db2.gz CKDZAPFBUWWAPW-INIZCTEOSA-N 2 1 262.441 3.815 20 0 CHADMP CC[C@@H]1C[N@H+](C2c3ccccc3-c3ccccc32)CC[C@H]1[NH3+] ZINC000316933534 1121480269 /nfs/dbraw/zinc/48/02/69/1121480269.db2.gz YQYHNHXEAHWPBL-AUUYWEPGSA-N 2 1 292.426 3.816 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000512615256 1121493993 /nfs/dbraw/zinc/49/39/93/1121493993.db2.gz YWUKVMIOUHKGTD-MVJPYGJCSA-N 2 1 298.474 3.675 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2CCCc3c(Cl)cccc32)CC1 ZINC000543600410 1121508718 /nfs/dbraw/zinc/50/87/18/1121508718.db2.gz FPHZZIPTUZSXRM-KRWDZBQOSA-N 2 1 292.854 3.791 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433051184 1121537706 /nfs/dbraw/zinc/53/77/06/1121537706.db2.gz FRZANATWNMFMHK-IBGZPJMESA-N 2 1 297.446 3.851 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433051184 1121537710 /nfs/dbraw/zinc/53/77/10/1121537710.db2.gz FRZANATWNMFMHK-IBGZPJMESA-N 2 1 297.446 3.851 20 0 CHADMP Cc1ccc2cc[nH+]c(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000645127367 1121553779 /nfs/dbraw/zinc/55/37/79/1121553779.db2.gz LHFZVPMTNFUDEA-JKSUJKDBSA-N 2 1 281.403 3.582 20 0 CHADMP Cc1ccc2cc[nH+]c(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000645127367 1121553787 /nfs/dbraw/zinc/55/37/87/1121553787.db2.gz LHFZVPMTNFUDEA-JKSUJKDBSA-N 2 1 281.403 3.582 20 0 CHADMP c1csc([C@@H]2CCC[N@@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923296896 1121558069 /nfs/dbraw/zinc/55/80/69/1121558069.db2.gz BJGXOHFINAAXKV-UYTSQGDYSA-N 2 1 290.476 3.806 20 0 CHADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccc2cc[nH]c2c1 ZINC000923415826 1121569846 /nfs/dbraw/zinc/56/98/46/1121569846.db2.gz VSXVAPVQGAETQX-DODVFSASSA-N 2 1 297.446 3.520 20 0 CHADMP Cc1ccc(C)c(Nc2ccc(C[NH+](C)C)cc2)[nH+]1 ZINC001176291521 1121590655 /nfs/dbraw/zinc/59/06/55/1121590655.db2.gz CMXSELPYZVXWSB-UHFFFAOYSA-N 2 1 255.365 3.504 20 0 CHADMP Cc1ccc(C[N@@H+]([C@H]2C[C@H]3C[C@H]3C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001167918460 1121612046 /nfs/dbraw/zinc/61/20/46/1121612046.db2.gz JHUJYYAXZLWEEX-YCKXBTPASA-N 2 1 298.474 3.865 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+]CC[C@H](C)CCC=C(C)C)C1 ZINC000512844343 1121622379 /nfs/dbraw/zinc/62/23/79/1121622379.db2.gz HHHLLOMNYVCMRX-SJORKVTESA-N 2 1 266.473 3.690 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)(C)c1ccccc1 ZINC000161587234 1121640858 /nfs/dbraw/zinc/64/08/58/1121640858.db2.gz MFKPHWIJNMLTTG-CGTJXYLNSA-N 2 1 286.463 3.569 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433302090 1121641339 /nfs/dbraw/zinc/64/13/39/1121641339.db2.gz XAFSQGKNGZHSNA-RDJZCZTQSA-N 2 1 292.854 3.614 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433302090 1121641343 /nfs/dbraw/zinc/64/13/43/1121641343.db2.gz XAFSQGKNGZHSNA-RDJZCZTQSA-N 2 1 292.854 3.614 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433302090 1121641347 /nfs/dbraw/zinc/64/13/47/1121641347.db2.gz XAFSQGKNGZHSNA-RDJZCZTQSA-N 2 1 292.854 3.614 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CC[NH2+]C[C@H](C)C3)cc2)cc1 ZINC001206277235 1121648854 /nfs/dbraw/zinc/64/88/54/1121648854.db2.gz PEMKDFFQFFRASV-KRWDZBQOSA-N 2 1 294.442 3.703 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3CC[NH2+]C[C@H](C)C3)cc2)cc1 ZINC001206277235 1121648858 /nfs/dbraw/zinc/64/88/58/1121648858.db2.gz PEMKDFFQFFRASV-KRWDZBQOSA-N 2 1 294.442 3.703 20 0 CHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCC4CC4)[C@H]3C2)cc1 ZINC000512666419 1121673863 /nfs/dbraw/zinc/67/38/63/1121673863.db2.gz KKANHFVWWBYJRN-UFYCRDLUSA-N 2 1 298.474 3.677 20 0 CHADMP C[C@H]1CCC[C@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001177086975 1121712146 /nfs/dbraw/zinc/71/21/46/1121712146.db2.gz RBAAQSHXZSENSN-HOTGVXAUSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCCc2cccc(Cl)c2)CC1 ZINC001206293466 1121712507 /nfs/dbraw/zinc/71/25/07/1121712507.db2.gz HUWQHHYHZYHKOL-QGZVFWFLSA-N 2 1 294.870 3.724 20 0 CHADMP CCCC[NH+]1CCC([NH2+]Cc2cnc3ccccc3c2)CC1 ZINC000727469277 1121720229 /nfs/dbraw/zinc/72/02/29/1121720229.db2.gz RYYOCTMDYHNJEG-UHFFFAOYSA-N 2 1 297.446 3.589 20 0 CHADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC001178584011 1121795538 /nfs/dbraw/zinc/79/55/38/1121795538.db2.gz CNNPEZFRBKQKHY-JFIYKMOQSA-N 2 1 278.484 3.952 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001178831032 1121821343 /nfs/dbraw/zinc/82/13/43/1121821343.db2.gz FMQUFFQSQHQXRW-ARFHVFGLSA-N 2 1 268.489 3.911 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001178831032 1121821347 /nfs/dbraw/zinc/82/13/47/1121821347.db2.gz FMQUFFQSQHQXRW-ARFHVFGLSA-N 2 1 268.489 3.911 20 0 CHADMP CC1(C)CCC[N@@H+]1CC[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC001178934053 1121829179 /nfs/dbraw/zinc/82/91/79/1121829179.db2.gz HAZKVPAZMWLKAC-HNNXBMFYSA-N 2 1 266.473 3.667 20 0 CHADMP CC1(C)CCC[N@H+]1CC[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC001178934053 1121829187 /nfs/dbraw/zinc/82/91/87/1121829187.db2.gz HAZKVPAZMWLKAC-HNNXBMFYSA-N 2 1 266.473 3.667 20 0 CHADMP CCCC1CCC(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001178916440 1121829323 /nfs/dbraw/zinc/82/93/23/1121829323.db2.gz GUZLFGLZHRNBEA-ABHNRTSZSA-N 2 1 280.500 3.914 20 0 CHADMP CC[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)C1 ZINC001179081759 1121848225 /nfs/dbraw/zinc/84/82/25/1121848225.db2.gz OAQZPTQREDMTSX-HZPDHXFCSA-N 2 1 254.462 3.523 20 0 CHADMP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)C1 ZINC001179816790 1121912874 /nfs/dbraw/zinc/91/28/74/1121912874.db2.gz NTFCEMJDPIULLY-NNPSNHGLSA-N 2 1 278.484 3.521 20 0 CHADMP CC1(C)CCC[C@H](C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC001179873173 1121922766 /nfs/dbraw/zinc/92/27/66/1121922766.db2.gz FANLFAHEOHCCFK-IRXDYDNUSA-N 2 1 278.484 3.621 20 0 CHADMP c1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)co1 ZINC000732987207 1121951065 /nfs/dbraw/zinc/95/10/65/1121951065.db2.gz YTFNOWILPDRTPT-UHFFFAOYSA-N 2 1 298.430 3.945 20 0 CHADMP Cc1ccc(CN(C)CC[C@@H]2CCCC[N@H+]2C)cc1Cl ZINC001180098997 1121953228 /nfs/dbraw/zinc/95/32/28/1121953228.db2.gz RGVQXNRMYVKHFZ-INIZCTEOSA-N 2 1 294.870 3.955 20 0 CHADMP Cc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1Cl ZINC001180098997 1121953231 /nfs/dbraw/zinc/95/32/31/1121953231.db2.gz RGVQXNRMYVKHFZ-INIZCTEOSA-N 2 1 294.870 3.955 20 0 CHADMP Cc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1Cl ZINC001180098997 1121953238 /nfs/dbraw/zinc/95/32/38/1121953238.db2.gz RGVQXNRMYVKHFZ-INIZCTEOSA-N 2 1 294.870 3.955 20 0 CHADMP Cc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1Cl ZINC001180098997 1121953241 /nfs/dbraw/zinc/95/32/41/1121953241.db2.gz RGVQXNRMYVKHFZ-INIZCTEOSA-N 2 1 294.870 3.955 20 0 CHADMP Cc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1Cl ZINC001180098997 1121953246 /nfs/dbraw/zinc/95/32/46/1121953246.db2.gz RGVQXNRMYVKHFZ-INIZCTEOSA-N 2 1 294.870 3.955 20 0 CHADMP CC[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CC[C@@H]1c1ccccc1 ZINC000420300758 1121997248 /nfs/dbraw/zinc/99/72/48/1121997248.db2.gz KLSHAPCAYVGNCK-LMMKCTJWSA-N 2 1 286.463 3.502 20 0 CHADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccccc2Oc2ccccc2)C1 ZINC000420307773 1121997472 /nfs/dbraw/zinc/99/74/72/1121997472.db2.gz CIRGOYWKMZOJOO-IBGZPJMESA-N 2 1 296.414 3.650 20 0 CHADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccccc2Oc2ccccc2)C1 ZINC000420307773 1121997478 /nfs/dbraw/zinc/99/74/78/1121997478.db2.gz CIRGOYWKMZOJOO-IBGZPJMESA-N 2 1 296.414 3.650 20 0 CHADMP c1ccc([C@@H]2CCCCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420315447 1121999086 /nfs/dbraw/zinc/99/90/86/1121999086.db2.gz LUMIUPWSDSGZPB-WMZOPIPTSA-N 2 1 272.436 3.603 20 0 CHADMP C[C@@H](c1ccccc1Cl)[N@@H+](CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000420321732 1121999187 /nfs/dbraw/zinc/99/91/87/1121999187.db2.gz RNKAOOPNORXNDH-UONOGXRCSA-N 2 1 292.854 3.865 20 0 CHADMP C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420314588 1121999278 /nfs/dbraw/zinc/99/92/78/1121999278.db2.gz ZBMNERCXZCBLCG-VKJFTORMSA-N 2 1 290.426 3.598 20 0 CHADMP C[C@@H]([NH3+])C[NH2+][C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000420376742 1122006157 /nfs/dbraw/zinc/00/61/57/1122006157.db2.gz RDDGBYXIMHJTQA-CXAGYDPISA-N 2 1 288.822 3.561 20 0 CHADMP FC(F)(F)C[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000420944995 1122047357 /nfs/dbraw/zinc/04/73/57/1122047357.db2.gz JXVSOMWNMXYCDD-CQSZACIVSA-N 2 1 292.389 3.527 20 0 CHADMP FC(F)(F)C[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000420944995 1122047364 /nfs/dbraw/zinc/04/73/64/1122047364.db2.gz JXVSOMWNMXYCDD-CQSZACIVSA-N 2 1 292.389 3.527 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCC[C@H]3C[C@]32C)C1 ZINC000502281069 1122069817 /nfs/dbraw/zinc/06/98/17/1122069817.db2.gz KOYQVOXIZLJHBD-ZWJWXYIHSA-N 2 1 292.511 3.913 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000502434054 1122085949 /nfs/dbraw/zinc/08/59/49/1122085949.db2.gz XNIPZIMXNXQTNT-BHIYHBOVSA-N 2 1 298.474 3.819 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000502434054 1122085955 /nfs/dbraw/zinc/08/59/55/1122085955.db2.gz XNIPZIMXNXQTNT-BHIYHBOVSA-N 2 1 298.474 3.819 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@@H](CC(F)F)c2ccccc2)CC1 ZINC000421379219 1122105509 /nfs/dbraw/zinc/10/55/09/1122105509.db2.gz WTVZSZNOJPVAJJ-INIZCTEOSA-N 2 1 296.405 3.847 20 0 CHADMP Cc1cc(-n2ccnc2)ccc1C[N@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000429590998 1122108475 /nfs/dbraw/zinc/10/84/75/1122108475.db2.gz PUHSMGQGUXBRJL-PBHICJAKSA-N 2 1 283.419 3.801 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC001182115884 1122110334 /nfs/dbraw/zinc/11/03/34/1122110334.db2.gz VKMJOLAPPWBMCM-BZUAXINKSA-N 2 1 268.489 3.911 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC001182115884 1122110337 /nfs/dbraw/zinc/11/03/37/1122110337.db2.gz VKMJOLAPPWBMCM-BZUAXINKSA-N 2 1 268.489 3.911 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+](CC)CC[C@H]1CCC[NH+]1C ZINC000502688985 1122133688 /nfs/dbraw/zinc/13/36/88/1122133688.db2.gz DTLRJOSQENIXLP-QZTJIDSGSA-N 2 1 274.452 3.944 20 0 CHADMP CC[C@H](c1ccccc1)[NH+](CC)CC[C@H]1CCC[N@@H+]1C ZINC000502688985 1122133692 /nfs/dbraw/zinc/13/36/92/1122133692.db2.gz DTLRJOSQENIXLP-QZTJIDSGSA-N 2 1 274.452 3.944 20 0 CHADMP CC[C@H](c1ccccc1)[NH+](CC)CC[C@H]1CCC[N@H+]1C ZINC000502688985 1122133694 /nfs/dbraw/zinc/13/36/94/1122133694.db2.gz DTLRJOSQENIXLP-QZTJIDSGSA-N 2 1 274.452 3.944 20 0 CHADMP Cc1cc([C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)oc1C ZINC000502724719 1122144626 /nfs/dbraw/zinc/14/46/26/1122144626.db2.gz FWEIBLAWPPSVOO-XJKSGUPXSA-N 2 1 280.456 3.913 20 0 CHADMP C[C@H](CC[N@H+]1CCCC[C@@](C)(C[NH3+])C1)CC(C)(C)C ZINC001206540596 1122188409 /nfs/dbraw/zinc/18/84/09/1122188409.db2.gz CIFFJOXNLWGXKU-WBVHZDCISA-N 2 1 268.489 3.900 20 0 CHADMP C[C@@H](CC[N@H+]1CCCC[C@@](C)(C[NH3+])C1)CC(C)(C)C ZINC001206540592 1122188368 /nfs/dbraw/zinc/18/83/68/1122188368.db2.gz CIFFJOXNLWGXKU-RDJZCZTQSA-N 2 1 268.489 3.900 20 0 CHADMP C[C@]1(C[NH3+])CCCC[N@@H+](CCCCCc2ccccc2)C1 ZINC001206542355 1122193779 /nfs/dbraw/zinc/19/37/79/1122193779.db2.gz ZAMDYOCRCQGNFL-LJQANCHMSA-N 2 1 288.479 3.850 20 0 CHADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CCCCCc2ccccc2)C1 ZINC001206542354 1122193814 /nfs/dbraw/zinc/19/38/14/1122193814.db2.gz ZAMDYOCRCQGNFL-IBGZPJMESA-N 2 1 288.479 3.850 20 0 CHADMP CCC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC001182903020 1122194454 /nfs/dbraw/zinc/19/44/54/1122194454.db2.gz VRFKTEINQBLWCH-RBUKOAKNSA-N 2 1 288.479 3.719 20 0 CHADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001182959840 1122197598 /nfs/dbraw/zinc/19/75/98/1122197598.db2.gz MRUQRFXBEYJSKA-SZMVWBNQSA-N 2 1 278.484 3.808 20 0 CHADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001182959840 1122197604 /nfs/dbraw/zinc/19/76/04/1122197604.db2.gz MRUQRFXBEYJSKA-SZMVWBNQSA-N 2 1 278.484 3.808 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205256471 1122207294 /nfs/dbraw/zinc/20/72/94/1122207294.db2.gz ONMHAVVRQXYQQQ-YIEVGGLXSA-N 2 1 252.446 3.716 20 0 CHADMP C[C@]1([NH3+])CCC[N@H+](Cc2cc3c(cccc3Cl)[nH]2)CC1 ZINC001205265327 1122218139 /nfs/dbraw/zinc/21/81/39/1122218139.db2.gz PXWKXQXAXDDIRT-INIZCTEOSA-N 2 1 291.826 3.525 20 0 CHADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cc3c(cccc3Cl)[nH]2)CC1 ZINC001205265327 1122218145 /nfs/dbraw/zinc/21/81/45/1122218145.db2.gz PXWKXQXAXDDIRT-INIZCTEOSA-N 2 1 291.826 3.525 20 0 CHADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc3[nH]cc(Cl)c32)CC1 ZINC001205265157 1122221190 /nfs/dbraw/zinc/22/11/90/1122221190.db2.gz NYYBSERXTXXRRW-MRXNPFEDSA-N 2 1 291.826 3.525 20 0 CHADMP C[N@@H+]([C@H]1C[C@H]2C[C@H]2C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001167948211 1122221409 /nfs/dbraw/zinc/22/14/09/1122221409.db2.gz KZBVEHZHDCJHMQ-HWWDLCQESA-N 2 1 276.468 3.514 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1 ZINC001205281117 1122237782 /nfs/dbraw/zinc/23/77/82/1122237782.db2.gz PUPKZIMDIHEQRV-SFHVURJKSA-N 2 1 274.452 3.733 20 0 CHADMP C[C@@H]1C[C@@]1([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000503368531 1122256949 /nfs/dbraw/zinc/25/69/49/1122256949.db2.gz DMQUJXWIUMRZDG-COXVUDFISA-N 2 1 292.854 3.649 20 0 CHADMP CC[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414681638 1122266031 /nfs/dbraw/zinc/26/60/31/1122266031.db2.gz WGGUZMWWRBMZMQ-UKRRQHHQSA-N 2 1 280.843 3.550 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000514222560 1122389166 /nfs/dbraw/zinc/38/91/66/1122389166.db2.gz PLFWZQTYZSUOIU-ZDUSSCGKSA-N 2 1 291.464 3.679 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1ccc2ccccc2c1 ZINC000515307953 1122489916 /nfs/dbraw/zinc/48/99/16/1122489916.db2.gz CLKCIBZPFYOAOS-UHFFFAOYSA-N 2 1 293.414 3.638 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000515307953 1122489918 /nfs/dbraw/zinc/48/99/18/1122489918.db2.gz CLKCIBZPFYOAOS-UHFFFAOYSA-N 2 1 293.414 3.638 20 0 CHADMP C[NH2+]CCC[N@H+](Cc1ccccc1)[C@@H](C)c1cccs1 ZINC000435871846 1122495229 /nfs/dbraw/zinc/49/52/29/1122495229.db2.gz VFOKIIXGUFYGSH-HNNXBMFYSA-N 2 1 288.460 3.921 20 0 CHADMP C[NH2+]CCC[N@@H+](Cc1ccccc1)[C@@H](C)c1cccs1 ZINC000435871846 1122495231 /nfs/dbraw/zinc/49/52/31/1122495231.db2.gz VFOKIIXGUFYGSH-HNNXBMFYSA-N 2 1 288.460 3.921 20 0 CHADMP CCC[N@H+](CC)CC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000436248844 1122526383 /nfs/dbraw/zinc/52/63/83/1122526383.db2.gz CDGHZXQGCKRWST-ROUUACIJSA-N 2 1 274.452 3.644 20 0 CHADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000436248844 1122526385 /nfs/dbraw/zinc/52/63/85/1122526385.db2.gz CDGHZXQGCKRWST-ROUUACIJSA-N 2 1 274.452 3.644 20 0 CHADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000436255764 1122528849 /nfs/dbraw/zinc/52/88/49/1122528849.db2.gz YUNBFVTWBGRKNB-JQHSSLGASA-N 2 1 274.452 3.643 20 0 CHADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000436255764 1122528851 /nfs/dbraw/zinc/52/88/51/1122528851.db2.gz YUNBFVTWBGRKNB-JQHSSLGASA-N 2 1 274.452 3.643 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205539168 1122552029 /nfs/dbraw/zinc/55/20/29/1122552029.db2.gz TYHQALSDFPYWAA-IAGOWNOFSA-N 2 1 284.463 3.912 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](C)C2CCCCC2)C1 ZINC001191367583 1122596477 /nfs/dbraw/zinc/59/64/77/1122596477.db2.gz QHRMMJRKIVJTAW-DLBZAZTESA-N 2 1 280.500 3.867 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](C)C2CCCCC2)C1 ZINC001191367583 1122596482 /nfs/dbraw/zinc/59/64/82/1122596482.db2.gz QHRMMJRKIVJTAW-DLBZAZTESA-N 2 1 280.500 3.867 20 0 CHADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCCSc1ccccc1Cl ZINC000516659731 1122618931 /nfs/dbraw/zinc/61/89/31/1122618931.db2.gz CJCANLLJGJSKOZ-QWHCGFSZSA-N 2 1 298.883 3.634 20 0 CHADMP Cc1cc(C)c(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c(C)c1 ZINC001203745690 1122619781 /nfs/dbraw/zinc/61/97/81/1122619781.db2.gz DREXBBIVPCADFL-UHFFFAOYSA-N 2 1 286.463 3.530 20 0 CHADMP C[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167962030 1122631561 /nfs/dbraw/zinc/63/15/61/1122631561.db2.gz SNWVWBVTEMCMAT-CGCLCEIZSA-N 2 1 276.468 3.560 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(C)c1Cl ZINC001205603054 1122650985 /nfs/dbraw/zinc/65/09/85/1122650985.db2.gz NJIUNBYIYNHGRD-INIZCTEOSA-N 2 1 298.833 3.610 20 0 CHADMP C[C@H]1CC[N@@H+](CCCc2ccccc2Cl)CC[C@H]1C[NH3+] ZINC001205604400 1122654755 /nfs/dbraw/zinc/65/47/55/1122654755.db2.gz VGIBZFGHEGKGKO-HOCLYGCPSA-N 2 1 294.870 3.579 20 0 CHADMP c1ccc(C[C@@H]2CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000438085864 1122674815 /nfs/dbraw/zinc/67/48/15/1122674815.db2.gz QMYWAEMKSMWFQZ-LWYYNNOASA-N 2 1 298.474 3.614 20 0 CHADMP c1ccc(C[C@@H]2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC000438085864 1122674817 /nfs/dbraw/zinc/67/48/17/1122674817.db2.gz QMYWAEMKSMWFQZ-LWYYNNOASA-N 2 1 298.474 3.614 20 0 CHADMP C[C@@H](C[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1)C[NH+](C)C ZINC000425947214 1122675568 /nfs/dbraw/zinc/67/55/68/1122675568.db2.gz RQTWKKWQFBPTSW-QWRGUYRKSA-N 2 1 289.250 3.842 20 0 CHADMP c1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)C2)cc1 ZINC000438085297 1122676978 /nfs/dbraw/zinc/67/69/78/1122676978.db2.gz AZOMCWKIPSBHLS-HCXYKTFWSA-N 2 1 284.447 3.539 20 0 CHADMP c1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)C2)cc1 ZINC000438085297 1122676981 /nfs/dbraw/zinc/67/69/81/1122676981.db2.gz AZOMCWKIPSBHLS-HCXYKTFWSA-N 2 1 284.447 3.539 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000438117911 1122677046 /nfs/dbraw/zinc/67/70/46/1122677046.db2.gz WRMGHAZDEPGNCI-HZPDHXFCSA-N 2 1 292.442 3.593 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)c2ccc(F)cc2)[C@H](C)C1 ZINC000438122724 1122680197 /nfs/dbraw/zinc/68/01/97/1122680197.db2.gz WWZZWCXSQZGSKJ-DAYGRLMNSA-N 2 1 292.442 3.591 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)c2ccc(F)cc2)[C@H](C)C1 ZINC000438122724 1122680199 /nfs/dbraw/zinc/68/01/99/1122680199.db2.gz WWZZWCXSQZGSKJ-DAYGRLMNSA-N 2 1 292.442 3.591 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)c2ccc(F)cc2)[C@H](C)C1 ZINC000438122724 1122680203 /nfs/dbraw/zinc/68/02/03/1122680203.db2.gz WWZZWCXSQZGSKJ-DAYGRLMNSA-N 2 1 292.442 3.591 20 0 CHADMP CC[C@H](C[N@@H+](CC)CC[C@@H]1CCC[NH+]1C)c1ccccc1 ZINC001193592262 1122699681 /nfs/dbraw/zinc/69/96/81/1122699681.db2.gz DBMOFCKPNZMFFU-MJGOQNOKSA-N 2 1 288.479 3.986 20 0 CHADMP CC[C@H](C[NH+](CC)CC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001193592262 1122699685 /nfs/dbraw/zinc/69/96/85/1122699685.db2.gz DBMOFCKPNZMFFU-MJGOQNOKSA-N 2 1 288.479 3.986 20 0 CHADMP CC[C@H](C[NH+](CC)CC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001193592262 1122699688 /nfs/dbraw/zinc/69/96/88/1122699688.db2.gz DBMOFCKPNZMFFU-MJGOQNOKSA-N 2 1 288.479 3.986 20 0 CHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccco1 ZINC000153589960 1129072829 /nfs/dbraw/zinc/07/28/29/1129072829.db2.gz JJJGJBXJKXGPHY-HOTGVXAUSA-N 2 1 298.430 3.526 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(C(C)(C)C)cc2)CC[N@H+]1C ZINC000153641479 1129073814 /nfs/dbraw/zinc/07/38/14/1129073814.db2.gz TVVTWRSHRUYLAD-MAUKXSAKSA-N 2 1 288.479 3.599 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205652262 1122747192 /nfs/dbraw/zinc/74/71/92/1122747192.db2.gz OTHFCDTXRYAABE-WFASDCNBSA-N 2 1 294.870 3.764 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cc2ccccc2[nH]1 ZINC000775623284 1122827468 /nfs/dbraw/zinc/82/74/68/1122827468.db2.gz OZSGWLOTHSLBBD-AWEZNQCLSA-N 2 1 273.424 3.549 20 0 CHADMP CC1(C)CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167969800 1122861123 /nfs/dbraw/zinc/86/11/23/1122861123.db2.gz DTXSSDDMJHYAOL-HMQMGEFJSA-N 2 1 276.468 3.560 20 0 CHADMP CCCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167982150 1122900352 /nfs/dbraw/zinc/90/03/52/1122900352.db2.gz YKXACGRYFIRNAN-SJPCQFCGSA-N 2 1 264.457 3.514 20 0 CHADMP Cc1cccc([C@@H]([NH2+]CC[C@@H]2CCC[N@H+]2C)C(C)C)c1 ZINC001196781365 1122933833 /nfs/dbraw/zinc/93/38/33/1122933833.db2.gz ACNYZZOUBNKQSP-ROUUACIJSA-N 2 1 274.452 3.766 20 0 CHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000160138662 1122940204 /nfs/dbraw/zinc/94/02/04/1122940204.db2.gz XWTJVODPGHWWLD-AWEZNQCLSA-N 2 1 296.405 3.567 20 0 CHADMP c1sc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1-c1ccccc1 ZINC000427109342 1122945357 /nfs/dbraw/zinc/94/53/57/1122945357.db2.gz GYPKGMUTRMQTFL-CRAIPNDOSA-N 2 1 298.455 3.599 20 0 CHADMP c1sc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1-c1ccccc1 ZINC000427109342 1122945360 /nfs/dbraw/zinc/94/53/60/1122945360.db2.gz GYPKGMUTRMQTFL-CRAIPNDOSA-N 2 1 298.455 3.599 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](C2CCC2)CC1 ZINC001197202014 1122948511 /nfs/dbraw/zinc/94/85/11/1122948511.db2.gz KGQPAJUWPQDBOX-SFHVURJKSA-N 2 1 289.467 3.874 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC001197202014 1122948514 /nfs/dbraw/zinc/94/85/14/1122948514.db2.gz KGQPAJUWPQDBOX-SFHVURJKSA-N 2 1 289.467 3.874 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000507472255 1122957577 /nfs/dbraw/zinc/95/75/77/1122957577.db2.gz QPQYPWYMXOHQJB-CAOSSQGBSA-N 2 1 254.462 3.520 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000507472255 1122957579 /nfs/dbraw/zinc/95/75/79/1122957579.db2.gz QPQYPWYMXOHQJB-CAOSSQGBSA-N 2 1 254.462 3.520 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000267519485 1129089462 /nfs/dbraw/zinc/08/94/62/1129089462.db2.gz NCVBSEXDRPTUKA-CRAIPNDOSA-N 2 1 272.436 3.572 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000267519485 1129089466 /nfs/dbraw/zinc/08/94/66/1129089466.db2.gz NCVBSEXDRPTUKA-CRAIPNDOSA-N 2 1 272.436 3.572 20 0 CHADMP C[C@@H](C[N@H+]1CCC2(C1)CC[NH2+]CC2)c1cccc(Cl)c1 ZINC000262071212 1122971782 /nfs/dbraw/zinc/97/17/82/1122971782.db2.gz SBMFBPZLLNRUJD-AWEZNQCLSA-N 2 1 292.854 3.519 20 0 CHADMP Cc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)ccc1Cl ZINC000507621260 1122977799 /nfs/dbraw/zinc/97/77/99/1122977799.db2.gz OLQICPMPWIMXKI-UHFFFAOYSA-N 2 1 294.870 3.953 20 0 CHADMP Cc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)ccc1Cl ZINC000507621260 1122977803 /nfs/dbraw/zinc/97/78/03/1122977803.db2.gz OLQICPMPWIMXKI-UHFFFAOYSA-N 2 1 294.870 3.953 20 0 CHADMP C[C@H](CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)CC(C)(C)C ZINC000188030496 1123011822 /nfs/dbraw/zinc/01/18/22/1123011822.db2.gz KDAJYYFFZURNDK-KFWWJZLASA-N 2 1 254.462 3.521 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001199335849 1123028498 /nfs/dbraw/zinc/02/84/98/1123028498.db2.gz DFWYIWSTEGJPCP-ZACQAIPSSA-N 2 1 266.473 3.809 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](CCC(C)C)C2)C1 ZINC001199383679 1123029403 /nfs/dbraw/zinc/02/94/03/1123029403.db2.gz FAWCINZJABSKFA-BRWVUGGUSA-N 2 1 266.473 3.523 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000441327761 1123078862 /nfs/dbraw/zinc/07/88/62/1123078862.db2.gz GYKSGEPVBITHHP-MRXNPFEDSA-N 2 1 277.456 3.730 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000441327761 1123078867 /nfs/dbraw/zinc/07/88/67/1123078867.db2.gz GYKSGEPVBITHHP-MRXNPFEDSA-N 2 1 277.456 3.730 20 0 CHADMP C[N@@H+](CCc1ccccc1Cl)CC[C@@H]1CCCC[NH+]1C ZINC000441372172 1123082730 /nfs/dbraw/zinc/08/27/30/1123082730.db2.gz BNRRBIRBZBRMHK-INIZCTEOSA-N 2 1 294.870 3.689 20 0 CHADMP C[N@H+](CCc1ccccc1Cl)CC[C@@H]1CCCC[NH+]1C ZINC000441372172 1123082732 /nfs/dbraw/zinc/08/27/32/1123082732.db2.gz BNRRBIRBZBRMHK-INIZCTEOSA-N 2 1 294.870 3.689 20 0 CHADMP C[NH+](CCc1ccccc1Cl)CC[C@@H]1CCCC[N@@H+]1C ZINC000441372172 1123082735 /nfs/dbraw/zinc/08/27/35/1123082735.db2.gz BNRRBIRBZBRMHK-INIZCTEOSA-N 2 1 294.870 3.689 20 0 CHADMP C[NH+](CCc1ccccc1Cl)CC[C@@H]1CCCC[N@H+]1C ZINC000441372172 1123082737 /nfs/dbraw/zinc/08/27/37/1123082737.db2.gz BNRRBIRBZBRMHK-INIZCTEOSA-N 2 1 294.870 3.689 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc2ccccc2s1 ZINC000126524127 1123087428 /nfs/dbraw/zinc/08/74/28/1123087428.db2.gz JBYFRTREYTVIAU-KBPBESRZSA-N 2 1 288.460 3.894 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc2ccccc2s1 ZINC000126524127 1123087433 /nfs/dbraw/zinc/08/74/33/1123087433.db2.gz JBYFRTREYTVIAU-KBPBESRZSA-N 2 1 288.460 3.894 20 0 CHADMP Cc1ccccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167991571 1123094109 /nfs/dbraw/zinc/09/41/09/1123094109.db2.gz CVVHAZHXUHQJFS-YOFSQIOKSA-N 2 1 298.474 3.832 20 0 CHADMP Cc1ccccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167991571 1123094114 /nfs/dbraw/zinc/09/41/14/1123094114.db2.gz CVVHAZHXUHQJFS-YOFSQIOKSA-N 2 1 298.474 3.832 20 0 CHADMP Cc1ccccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167991571 1123094117 /nfs/dbraw/zinc/09/41/17/1123094117.db2.gz CVVHAZHXUHQJFS-YOFSQIOKSA-N 2 1 298.474 3.832 20 0 CHADMP C1=CC[C@@H](C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)CC1 ZINC001201411133 1123096460 /nfs/dbraw/zinc/09/64/60/1123096460.db2.gz OMMYCMRTJGLFHJ-QGZVFWFLSA-N 2 1 288.479 3.683 20 0 CHADMP Cc1ccc(C)c(Nc2cccc(C[NH+](C)C)c2)[nH+]1 ZINC001201392356 1123096845 /nfs/dbraw/zinc/09/68/45/1123096845.db2.gz BEHUMQJLVFUQLC-UHFFFAOYSA-N 2 1 255.365 3.504 20 0 CHADMP C[N@@H+](CC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994304 1123103995 /nfs/dbraw/zinc/10/39/95/1123103995.db2.gz BKFQOZPXOXOVHR-DFNIBXOVSA-N 2 1 290.495 3.904 20 0 CHADMP C[NH+](CC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994304 1123103997 /nfs/dbraw/zinc/10/39/97/1123103997.db2.gz BKFQOZPXOXOVHR-DFNIBXOVSA-N 2 1 290.495 3.904 20 0 CHADMP C[NH+](CC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994304 1123103999 /nfs/dbraw/zinc/10/39/99/1123103999.db2.gz BKFQOZPXOXOVHR-DFNIBXOVSA-N 2 1 290.495 3.904 20 0 CHADMP C[N@@H+](Cc1ccccc1)C1CC[NH+](CC(C)(C)C)CC1 ZINC001201440199 1123105031 /nfs/dbraw/zinc/10/50/31/1123105031.db2.gz AOCWAVCQMXVTKD-UHFFFAOYSA-N 2 1 274.452 3.629 20 0 CHADMP CC[C@@H](C)C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001201509791 1123113241 /nfs/dbraw/zinc/11/32/41/1123113241.db2.gz VGWWFYZVMSUMOE-MRXNPFEDSA-N 2 1 290.451 3.614 20 0 CHADMP CC(C)CC[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001201619601 1123131795 /nfs/dbraw/zinc/13/17/95/1123131795.db2.gz AUXNONLSNXOWBY-UHFFFAOYSA-N 2 1 290.451 3.614 20 0 CHADMP CC[C@H](C)Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001168000868 1123150541 /nfs/dbraw/zinc/15/05/41/1123150541.db2.gz YWSVWRHZBDOWNE-DZGCQCFKSA-N 2 1 286.423 3.561 20 0 CHADMP [NH3+][C@H]1CCCC[N@H+](Cc2cccc(-c3ccsc3)c2)C1 ZINC001205932358 1123169842 /nfs/dbraw/zinc/16/98/42/1123169842.db2.gz QYGVYRMIEQNWKT-KRWDZBQOSA-N 2 1 286.444 3.728 20 0 CHADMP [NH3+][C@H]1CCCC[N@@H+](Cc2cccc(-c3ccsc3)c2)C1 ZINC001205932358 1123169845 /nfs/dbraw/zinc/16/98/45/1123169845.db2.gz QYGVYRMIEQNWKT-KRWDZBQOSA-N 2 1 286.444 3.728 20 0 CHADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](CC4CCCC4)C[C@H]3C2)cc1 ZINC001202160480 1123180553 /nfs/dbraw/zinc/18/05/53/1123180553.db2.gz MGNJXMWMVGZJOW-BGYRXZFFSA-N 2 1 298.474 3.549 20 0 CHADMP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](CC4CCCC4)C[C@H]3C2)cc1 ZINC001202160480 1123180554 /nfs/dbraw/zinc/18/05/54/1123180554.db2.gz MGNJXMWMVGZJOW-BGYRXZFFSA-N 2 1 298.474 3.549 20 0 CHADMP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](CC4CCCC4)C[C@H]3C2)cc1 ZINC001202160480 1123180556 /nfs/dbraw/zinc/18/05/56/1123180556.db2.gz MGNJXMWMVGZJOW-BGYRXZFFSA-N 2 1 298.474 3.549 20 0 CHADMP CCC(CC)C[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001202184698 1123183077 /nfs/dbraw/zinc/18/30/77/1123183077.db2.gz UPKDHNXLTCFYDE-QGZVFWFLSA-N 2 1 266.473 3.809 20 0 CHADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc4ccccc43)C2)CC1 ZINC001203983420 1123190971 /nfs/dbraw/zinc/19/09/71/1123190971.db2.gz WHWJSBMXOLPFJV-UHFFFAOYSA-N 2 1 294.442 3.758 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2(C)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168008186 1123216278 /nfs/dbraw/zinc/21/62/78/1123216278.db2.gz WMANPTUVSMGGGB-SCAQPMJSSA-N 2 1 272.436 3.570 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2(C)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168008186 1123216282 /nfs/dbraw/zinc/21/62/82/1123216282.db2.gz WMANPTUVSMGGGB-SCAQPMJSSA-N 2 1 272.436 3.570 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)c(C)c2)C[C@H]1C ZINC000507812450 1123218573 /nfs/dbraw/zinc/21/85/73/1123218573.db2.gz HNISFKPZLGWSKH-ZBFHGGJFSA-N 2 1 294.870 3.953 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)c(C)c2)C[C@H]1C ZINC000507812450 1123218575 /nfs/dbraw/zinc/21/85/75/1123218575.db2.gz HNISFKPZLGWSKH-ZBFHGGJFSA-N 2 1 294.870 3.953 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Cl)c(C)c2)C[C@H]1C ZINC000507812450 1123218577 /nfs/dbraw/zinc/21/85/77/1123218577.db2.gz HNISFKPZLGWSKH-ZBFHGGJFSA-N 2 1 294.870 3.953 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)c(C)c2)C[C@H]1C ZINC000507812450 1123218579 /nfs/dbraw/zinc/21/85/79/1123218579.db2.gz HNISFKPZLGWSKH-ZBFHGGJFSA-N 2 1 294.870 3.953 20 0 CHADMP CC(C)[C@H]([NH2+]CC1([NH3+])CCCC1)c1cc(F)ccc1F ZINC000665246448 1123256013 /nfs/dbraw/zinc/25/60/13/1123256013.db2.gz GCIDIAVJSLPLJE-HNNXBMFYSA-N 2 1 282.378 3.523 20 0 CHADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CC2([NH3+])CCCC2)c1 ZINC000665248973 1123259296 /nfs/dbraw/zinc/25/92/96/1123259296.db2.gz GYNVCCWOVHVVEQ-LBPRGKRZSA-N 2 1 298.377 3.519 20 0 CHADMP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665249389 1123263490 /nfs/dbraw/zinc/26/34/90/1123263490.db2.gz PMORKYKQMXSNNS-LLVKDONJSA-N 2 1 295.496 3.671 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc2c(s1)CCCC2 ZINC000156292575 1129111586 /nfs/dbraw/zinc/11/15/86/1129111586.db2.gz VMVKNIRGBIPYGG-UONOGXRCSA-N 2 1 292.492 3.619 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc2c(s1)CCCC2 ZINC000156292575 1129111587 /nfs/dbraw/zinc/11/15/87/1129111587.db2.gz VMVKNIRGBIPYGG-UONOGXRCSA-N 2 1 292.492 3.619 20 0 CHADMP C[C@@H]([NH2+]C1CCC(C2CCC2)CC1)c1c[nH+]ccc1N ZINC000665283776 1123315588 /nfs/dbraw/zinc/31/55/88/1123315588.db2.gz UQVNGGQEMJUTLR-LRVUVFPRSA-N 2 1 273.424 3.504 20 0 CHADMP Cc1cc2cc(C[N@H+]3CCC[C@H](CC[NH3+])C3)oc2cc1C ZINC000442927669 1123349244 /nfs/dbraw/zinc/34/92/44/1123349244.db2.gz ONPMCWAVMVKRHT-OAHLLOKOSA-N 2 1 286.419 3.610 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000271863473 1129115702 /nfs/dbraw/zinc/11/57/02/1129115702.db2.gz KYUQOBPEMLGGCJ-RBUKOAKNSA-N 2 1 284.447 3.564 20 0 CHADMP Clc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH2+]CC1)CCCS2 ZINC000335566229 1123380598 /nfs/dbraw/zinc/38/05/98/1123380598.db2.gz DMJBBNPFEDJMAW-AWEZNQCLSA-N 2 1 296.867 3.609 20 0 CHADMP CC(C)[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272365830 1129118129 /nfs/dbraw/zinc/11/81/29/1129118129.db2.gz TWIAURVGVIHSFD-BQFCYCMXSA-N 2 1 274.452 3.531 20 0 CHADMP CC(C)(C[N@@H+]1CC[C@](C)([NH3+])C1)Sc1ccc(Cl)cc1 ZINC001204763962 1123400928 /nfs/dbraw/zinc/40/09/28/1123400928.db2.gz URYWUBGKJDTLCG-HNNXBMFYSA-N 2 1 298.883 3.634 20 0 CHADMP CC(C)(C[N@H+]1CC[C@](C)([NH3+])C1)Sc1ccc(Cl)cc1 ZINC001204763962 1123400930 /nfs/dbraw/zinc/40/09/30/1123400930.db2.gz URYWUBGKJDTLCG-HNNXBMFYSA-N 2 1 298.883 3.634 20 0 CHADMP CC(C)=CC[N@H+](C)[C@H]1CCC[NH+](CC=C(C)C)CC1 ZINC000156958488 1129119714 /nfs/dbraw/zinc/11/97/14/1129119714.db2.gz COMVDTFAIMSTOK-KRWDZBQOSA-N 2 1 264.457 3.705 20 0 CHADMP CCC[N@@H+](CCCCCC[NH3+])Cc1ccccc1F ZINC000852759396 1123415173 /nfs/dbraw/zinc/41/51/73/1123415173.db2.gz NQHAVNLSBFVENW-UHFFFAOYSA-N 2 1 266.404 3.557 20 0 CHADMP CC[N@@H+](CCC[NH2+][C@H](C)[C@H]1CC1(F)F)C1CCCCC1 ZINC000639289592 1123429308 /nfs/dbraw/zinc/42/93/08/1123429308.db2.gz BVKBSIDELQSUTG-UKRRQHHQSA-N 2 1 288.426 3.664 20 0 CHADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](c2ccccc2)C(C)C)C1 ZINC000474263543 1123496849 /nfs/dbraw/zinc/49/68/49/1123496849.db2.gz CYZJBECDSLDYRY-MJGOQNOKSA-N 2 1 288.479 3.700 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](c2ccccc2)C(C)C)C1 ZINC000474263543 1123496852 /nfs/dbraw/zinc/49/68/52/1123496852.db2.gz CYZJBECDSLDYRY-MJGOQNOKSA-N 2 1 288.479 3.700 20 0 CHADMP CC(C)(F)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000631188347 1123516102 /nfs/dbraw/zinc/51/61/02/1123516102.db2.gz CBVIPFSJQCYPRX-MRXNPFEDSA-N 2 1 290.426 3.521 20 0 CHADMP CC(C)(F)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000631188347 1123516103 /nfs/dbraw/zinc/51/61/03/1123516103.db2.gz CBVIPFSJQCYPRX-MRXNPFEDSA-N 2 1 290.426 3.521 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](C(C)C)C2)C1 ZINC000474628595 1123561832 /nfs/dbraw/zinc/56/18/32/1123561832.db2.gz LNTTWJVJZXVJFU-IKGGRYGDSA-N 2 1 266.473 3.523 20 0 CHADMP CCC[C@H](C)CCC[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000858345968 1123646947 /nfs/dbraw/zinc/64/69/47/1123646947.db2.gz DNBYBWDSKXXPHQ-GJZGRUSLSA-N 2 1 254.462 3.665 20 0 CHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCC2CC2)CC1 ZINC000671118043 1129135682 /nfs/dbraw/zinc/13/56/82/1129135682.db2.gz RVSCPZSFRBLADV-UHFFFAOYSA-N 2 1 286.463 3.819 20 0 CHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000346143327 1123666310 /nfs/dbraw/zinc/66/63/10/1123666310.db2.gz QHRXAQNIGIAYEZ-QGZVFWFLSA-N 2 1 298.434 3.586 20 0 CHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)C1CCC(C)CC1 ZINC000346152821 1123667462 /nfs/dbraw/zinc/66/74/62/1123667462.db2.gz OUTILYNWSXOVIC-UHFFFAOYSA-N 2 1 298.434 3.586 20 0 CHADMP Cc1nccn1CC[N@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000346283885 1123677214 /nfs/dbraw/zinc/67/72/14/1123677214.db2.gz XPPGAFVKFCONHZ-QGZVFWFLSA-N 2 1 275.440 3.626 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000346283885 1123677217 /nfs/dbraw/zinc/67/72/17/1123677217.db2.gz XPPGAFVKFCONHZ-QGZVFWFLSA-N 2 1 275.440 3.626 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000346283885 1123677219 /nfs/dbraw/zinc/67/72/19/1123677219.db2.gz XPPGAFVKFCONHZ-QGZVFWFLSA-N 2 1 275.440 3.626 20 0 CHADMP Cc1nccn1CC[N@H+]1CCC[C@H]1c1cc(C)ccc1C ZINC000346312294 1123679768 /nfs/dbraw/zinc/67/97/68/1123679768.db2.gz PBBSYNWXWAUMFY-SFHVURJKSA-N 2 1 283.419 3.645 20 0 CHADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000346693796 1123707284 /nfs/dbraw/zinc/70/72/84/1123707284.db2.gz PSWJWPMRSZPLPD-PBHICJAKSA-N 2 1 298.405 3.662 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@@H](C)C1CCCCC1 ZINC000158179003 1129140577 /nfs/dbraw/zinc/14/05/77/1129140577.db2.gz KIUZLCKCUJHXTR-PMPSAXMXSA-N 2 1 266.473 3.523 20 0 CHADMP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000346971238 1123737769 /nfs/dbraw/zinc/73/77/69/1123737769.db2.gz GPFBFMGZCRYCOB-CYBMUJFWSA-N 2 1 295.496 3.567 20 0 CHADMP CC1=CCC[C@@H](C)[C@@H]1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000475131407 1123796673 /nfs/dbraw/zinc/79/66/73/1123796673.db2.gz RNSILQGMBSXIDN-IAGOWNOFSA-N 2 1 276.468 3.539 20 0 CHADMP CCCc1cccc(C[N@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000475139318 1123798784 /nfs/dbraw/zinc/79/87/84/1123798784.db2.gz XDESXUSQRAMXTH-UHFFFAOYSA-N 2 1 286.463 3.699 20 0 CHADMP Cc1oc2ccccc2c1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000925140173 1123823777 /nfs/dbraw/zinc/82/37/77/1123823777.db2.gz JAUWQMHBHVIGCI-YDHLFZDLSA-N 2 1 286.419 3.875 20 0 CHADMP Cc1oc2ccccc2c1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000925140173 1123823782 /nfs/dbraw/zinc/82/37/82/1123823782.db2.gz JAUWQMHBHVIGCI-YDHLFZDLSA-N 2 1 286.419 3.875 20 0 CHADMP CC(C)[C@@H](C[N@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000475218631 1123824575 /nfs/dbraw/zinc/82/45/75/1123824575.db2.gz ZERBOVYNGZOLCF-RBUKOAKNSA-N 2 1 288.479 3.842 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000475343510 1123845863 /nfs/dbraw/zinc/84/58/63/1123845863.db2.gz QLBQTHIYXOLPJG-BZOOQXSSSA-N 2 1 294.870 3.906 20 0 CHADMP C[N@@H+](Cc1cccc(-c2ccc3c(c2)C[NH2+]C3)c1)C1CC1 ZINC000863692988 1123889868 /nfs/dbraw/zinc/88/98/68/1123889868.db2.gz XAGKEENGZAUJHS-UHFFFAOYSA-N 2 1 278.399 3.551 20 0 CHADMP CC[NH+](CC)Cc1ccc(CNc2cc(C)cc[nH+]2)cc1 ZINC000301651896 1123921216 /nfs/dbraw/zinc/92/12/16/1123921216.db2.gz STCUXJQVMDGZNP-UHFFFAOYSA-N 2 1 283.419 3.844 20 0 CHADMP Cc1cccc(NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[nH+]1 ZINC000302236442 1123964265 /nfs/dbraw/zinc/96/42/65/1123964265.db2.gz JQOZZFSZTJAFON-HUUCEWRRSA-N 2 1 275.440 3.560 20 0 CHADMP Cc1cccc(NCc2ccc(C[NH+]3CCCCC3)cc2)[nH+]1 ZINC000302247716 1123965140 /nfs/dbraw/zinc/96/51/40/1123965140.db2.gz UQUPPIQSYSYJDL-UHFFFAOYSA-N 2 1 295.430 3.988 20 0 CHADMP F[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000865696592 1124004756 /nfs/dbraw/zinc/00/47/56/1124004756.db2.gz GUGMQPKYQINPHF-SJORKVTESA-N 2 1 282.447 3.654 20 0 CHADMP Cc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1C ZINC000035012026 1124023292 /nfs/dbraw/zinc/02/32/92/1124023292.db2.gz XZXHOQURBRCDCE-QGZVFWFLSA-N 2 1 274.452 3.658 20 0 CHADMP CC(C)CC[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000444601815 1124044830 /nfs/dbraw/zinc/04/48/30/1124044830.db2.gz ZQLADNOPHCAHAI-QGZVFWFLSA-N 2 1 266.473 3.763 20 0 CHADMP Clc1cccc(C2([NH2+]CCC[NH+]3CCCCC3)CC2)c1 ZINC000444608594 1124045542 /nfs/dbraw/zinc/04/55/42/1124045542.db2.gz LMCNIUBVPHMUSQ-UHFFFAOYSA-N 2 1 292.854 3.795 20 0 CHADMP CCC[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cc(C)ccn1 ZINC000866281195 1124047298 /nfs/dbraw/zinc/04/72/98/1124047298.db2.gz FWKJWIOEDWPDLP-BBWFWOEESA-N 2 1 289.467 3.694 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC000444707097 1124056645 /nfs/dbraw/zinc/05/66/45/1124056645.db2.gz OHKJQAHAEYYKBC-UHFFFAOYSA-N 2 1 285.435 3.721 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000444707097 1124056651 /nfs/dbraw/zinc/05/66/51/1124056651.db2.gz OHKJQAHAEYYKBC-UHFFFAOYSA-N 2 1 285.435 3.721 20 0 CHADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2coc3ccccc23)C1 ZINC000354107329 1124067575 /nfs/dbraw/zinc/06/75/75/1124067575.db2.gz PLMQXQWBUYPKDK-INIZCTEOSA-N 2 1 298.430 3.597 20 0 CHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2coc3ccccc23)C1 ZINC000354107329 1124067581 /nfs/dbraw/zinc/06/75/81/1124067581.db2.gz PLMQXQWBUYPKDK-INIZCTEOSA-N 2 1 298.430 3.597 20 0 CHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2coc3ccccc23)C1 ZINC000354107329 1124067585 /nfs/dbraw/zinc/06/75/85/1124067585.db2.gz PLMQXQWBUYPKDK-INIZCTEOSA-N 2 1 298.430 3.597 20 0 CHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2coc3ccccc23)C1 ZINC000354107329 1124067589 /nfs/dbraw/zinc/06/75/89/1124067589.db2.gz PLMQXQWBUYPKDK-INIZCTEOSA-N 2 1 298.430 3.597 20 0 CHADMP CC(C)C[C@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000445576368 1124092442 /nfs/dbraw/zinc/09/24/42/1124092442.db2.gz JYRHSKHXBYQXRL-INIZCTEOSA-N 2 1 289.467 3.664 20 0 CHADMP C[C@@H](CC1CCCCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000447058554 1124131382 /nfs/dbraw/zinc/13/13/82/1124131382.db2.gz UROLOEPFRDYNNB-XIRDDKMYSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@H](CC1CCC1)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000635002098 1129169224 /nfs/dbraw/zinc/16/92/24/1129169224.db2.gz LMGXXCZVRYQBJT-OLMNPRSZSA-N 2 1 272.436 3.648 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000621401654 1129173515 /nfs/dbraw/zinc/17/35/15/1129173515.db2.gz GIUUFQZNYTYTMY-OAHLLOKOSA-N 2 1 299.409 3.775 20 0 CHADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000414728179 1129177684 /nfs/dbraw/zinc/17/76/84/1129177684.db2.gz CGTMRCJHKHQJDS-JFIYKMOQSA-N 2 1 272.436 3.602 20 0 CHADMP CCC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC)C1)c1cc(C)ccn1 ZINC001118991244 1131244519 /nfs/dbraw/zinc/24/45/19/1131244519.db2.gz JPCVFGAOJBWKMY-SJORKVTESA-N 2 1 289.467 3.553 20 0 CHADMP CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)c1cc(C)ccn1 ZINC001118991244 1131244524 /nfs/dbraw/zinc/24/45/24/1131244524.db2.gz JPCVFGAOJBWKMY-SJORKVTESA-N 2 1 289.467 3.553 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCC(F)F)cc1 ZINC001119540505 1131258063 /nfs/dbraw/zinc/25/80/63/1131258063.db2.gz IHRLGUSLZQERGG-LBPRGKRZSA-N 2 1 293.361 3.877 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCCc3occc32)C1 ZINC000447553437 1124483610 /nfs/dbraw/zinc/48/36/10/1124483610.db2.gz WNDVNIGJSONBME-HLLBOEOZSA-N 2 1 290.451 3.615 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCCc3occc32)C1 ZINC000447553437 1124483615 /nfs/dbraw/zinc/48/36/15/1124483615.db2.gz WNDVNIGJSONBME-HLLBOEOZSA-N 2 1 290.451 3.615 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2occc21 ZINC000447536699 1124484730 /nfs/dbraw/zinc/48/47/30/1124484730.db2.gz PJWHLTRACGKFDH-DOTOQJQBSA-N 2 1 290.451 3.901 20 0 CHADMP CC(C)C[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000525985816 1124490754 /nfs/dbraw/zinc/49/07/54/1124490754.db2.gz URIAICJCSZUUBY-MJGOQNOKSA-N 2 1 288.479 3.748 20 0 CHADMP CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1c[nH]c2ccccc12 ZINC000526949707 1124527112 /nfs/dbraw/zinc/52/71/12/1124527112.db2.gz OHSQSHSKTDXDCA-KRWDZBQOSA-N 2 1 299.462 3.864 20 0 CHADMP CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1c[nH]c2ccccc12 ZINC000526949707 1124527123 /nfs/dbraw/zinc/52/71/23/1124527123.db2.gz OHSQSHSKTDXDCA-KRWDZBQOSA-N 2 1 299.462 3.864 20 0 CHADMP CC[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1c[nH]c2ccccc12 ZINC000526949707 1124527131 /nfs/dbraw/zinc/52/71/31/1124527131.db2.gz OHSQSHSKTDXDCA-KRWDZBQOSA-N 2 1 299.462 3.864 20 0 CHADMP C[C@H]([NH2+]CCCC(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001119931341 1131267494 /nfs/dbraw/zinc/26/74/94/1131267494.db2.gz KXBHLRKSTPMPIX-STQMWFEESA-N 2 1 292.389 3.572 20 0 CHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc3ccoc32)C1 ZINC000449036726 1124637475 /nfs/dbraw/zinc/63/74/75/1124637475.db2.gz LAIDSWQFUSGXKX-MRXNPFEDSA-N 2 1 298.430 3.597 20 0 CHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cccc3ccoc32)C1 ZINC000449036726 1124637477 /nfs/dbraw/zinc/63/74/77/1124637477.db2.gz LAIDSWQFUSGXKX-MRXNPFEDSA-N 2 1 298.430 3.597 20 0 CHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cccc3ccoc32)C1 ZINC000449036726 1124637479 /nfs/dbraw/zinc/63/74/79/1124637479.db2.gz LAIDSWQFUSGXKX-MRXNPFEDSA-N 2 1 298.430 3.597 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCC23CCC3)C1 ZINC000449081695 1124646867 /nfs/dbraw/zinc/64/68/67/1124646867.db2.gz HGQVVWSEOSQBSM-SJORKVTESA-N 2 1 278.484 3.811 20 0 CHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(C)(C)C)[C@H](C)C1 ZINC000449140249 1124655671 /nfs/dbraw/zinc/65/56/71/1124655671.db2.gz MXLKLCGYTFUWTH-ZACQAIPSSA-N 2 1 298.515 3.538 20 0 CHADMP CCC[N@H+](CC)CC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449177253 1124661012 /nfs/dbraw/zinc/66/10/12/1124661012.db2.gz PINVNEPICRVCJQ-UHFFFAOYSA-N 2 1 296.499 3.578 20 0 CHADMP CCC[N@@H+](CC)CC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449177253 1124661015 /nfs/dbraw/zinc/66/10/15/1124661015.db2.gz PINVNEPICRVCJQ-UHFFFAOYSA-N 2 1 296.499 3.578 20 0 CHADMP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)C(C)(C)CC ZINC000872038117 1124662353 /nfs/dbraw/zinc/66/23/53/1124662353.db2.gz ITYSDCVKKILLLZ-HNNXBMFYSA-N 2 1 265.445 3.776 20 0 CHADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000873222797 1124752272 /nfs/dbraw/zinc/75/22/72/1124752272.db2.gz CKTJUNFLQZAMAH-AWEZNQCLSA-N 2 1 286.872 3.598 20 0 CHADMP CC(C)C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000019914599 1124770522 /nfs/dbraw/zinc/77/05/22/1124770522.db2.gz CYSUCVIFJHOLJG-MRXNPFEDSA-N 2 1 274.452 3.675 20 0 CHADMP C[C@@H]([C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC000449560916 1124803494 /nfs/dbraw/zinc/80/34/94/1124803494.db2.gz QUQNCNYQXXBBLB-COSYGPSOSA-N 2 1 278.484 3.806 20 0 CHADMP CCC[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449735130 1124853543 /nfs/dbraw/zinc/85/35/43/1124853543.db2.gz PNTLLNOEJSZUNT-BDXSIMOUSA-N 2 1 278.484 3.809 20 0 CHADMP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@@H]1CCC[C@H](C)C1 ZINC000449766803 1124865235 /nfs/dbraw/zinc/86/52/35/1124865235.db2.gz ORYZMKDHWMAPCO-MELADBBJSA-N 2 1 295.496 3.509 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1csc(Cl)c1 ZINC000300420926 1124904302 /nfs/dbraw/zinc/90/43/02/1124904302.db2.gz AFOJJYGNBGRASZ-UHTWSYAYSA-N 2 1 284.856 3.679 20 0 CHADMP C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1csc(Cl)c1 ZINC000300420926 1124904286 /nfs/dbraw/zinc/90/42/86/1124904286.db2.gz AFOJJYGNBGRASZ-UHTWSYAYSA-N 2 1 284.856 3.679 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)c2ccnc(Cl)c2)C1 ZINC000125885471 1124942628 /nfs/dbraw/zinc/94/26/28/1124942628.db2.gz XIOFKGROGYHFLF-KBPBESRZSA-N 2 1 295.858 3.506 20 0 CHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccnc(Cl)c2)C1 ZINC000125885471 1124942633 /nfs/dbraw/zinc/94/26/33/1124942633.db2.gz XIOFKGROGYHFLF-KBPBESRZSA-N 2 1 295.858 3.506 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccnc(Cl)c2)C1 ZINC000125885471 1124942638 /nfs/dbraw/zinc/94/26/38/1124942638.db2.gz XIOFKGROGYHFLF-KBPBESRZSA-N 2 1 295.858 3.506 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)C2CC(F)(F)C2)c1 ZINC000529538142 1124992453 /nfs/dbraw/zinc/99/24/53/1124992453.db2.gz LDUCTELSJGZJKJ-ZDUSSCGKSA-N 2 1 296.405 3.662 20 0 CHADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529586733 1125008818 /nfs/dbraw/zinc/00/88/18/1125008818.db2.gz FZJCOQTVJSAWMP-ZFWWWQNUSA-N 2 1 288.426 3.520 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC/C=C/c2ccccc2)C1 ZINC000450463264 1125028868 /nfs/dbraw/zinc/02/88/68/1125028868.db2.gz NMFGZFIUFNKKET-BQHJZSHBSA-N 2 1 286.463 3.754 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC/C=C/c2ccccc2)C1 ZINC000450463264 1125028877 /nfs/dbraw/zinc/02/88/77/1125028877.db2.gz NMFGZFIUFNKKET-BQHJZSHBSA-N 2 1 286.463 3.754 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC000450463264 1125028885 /nfs/dbraw/zinc/02/88/85/1125028885.db2.gz NMFGZFIUFNKKET-BQHJZSHBSA-N 2 1 286.463 3.754 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC000450460395 1125029350 /nfs/dbraw/zinc/02/93/50/1125029350.db2.gz NYTGTFXWEGTNIK-QGZVFWFLSA-N 2 1 264.457 3.541 20 0 CHADMP C1=C[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000877623914 1125054880 /nfs/dbraw/zinc/05/48/80/1125054880.db2.gz DZNZSDFINOQJQF-LNLFQRSKSA-N 2 1 282.431 3.663 20 0 CHADMP C1=C[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000877623914 1125054890 /nfs/dbraw/zinc/05/48/90/1125054890.db2.gz DZNZSDFINOQJQF-LNLFQRSKSA-N 2 1 282.431 3.663 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC2=CCCCC2)[C@@H](C)C1 ZINC000450559356 1125057710 /nfs/dbraw/zinc/05/77/10/1125057710.db2.gz FIFZRAIJFALMSX-DOTOQJQBSA-N 2 1 264.457 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC2=CCCCC2)[C@@H](C)C1 ZINC000450559356 1125057719 /nfs/dbraw/zinc/05/77/19/1125057719.db2.gz FIFZRAIJFALMSX-DOTOQJQBSA-N 2 1 264.457 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC2=CCCCC2)[C@@H](C)C1 ZINC000450559356 1125057727 /nfs/dbraw/zinc/05/77/27/1125057727.db2.gz FIFZRAIJFALMSX-DOTOQJQBSA-N 2 1 264.457 3.539 20 0 CHADMP CCC1([NH+](C)C)CC[NH+](Cc2cncc3ccccc32)CC1 ZINC000877690385 1125064530 /nfs/dbraw/zinc/06/45/30/1125064530.db2.gz SCTVXRBYKKDCOY-UHFFFAOYSA-N 2 1 297.446 3.541 20 0 CHADMP C[C@@H]([NH2+]CC1=CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000450728902 1125093872 /nfs/dbraw/zinc/09/38/72/1125093872.db2.gz QKDNWOSFOFTASX-NVXWUHKLSA-N 2 1 276.468 3.729 20 0 CHADMP C[C@@H]([NH2+]CC1=CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000450728904 1125095019 /nfs/dbraw/zinc/09/50/19/1125095019.db2.gz QKDNWOSFOFTASX-WBVHZDCISA-N 2 1 276.468 3.729 20 0 CHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CC1 ZINC000390853458 1125115937 /nfs/dbraw/zinc/11/59/37/1125115937.db2.gz FINHYURMPOKHRS-SFHVURJKSA-N 2 1 286.463 3.677 20 0 CHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CC1 ZINC000390853458 1125115943 /nfs/dbraw/zinc/11/59/43/1125115943.db2.gz FINHYURMPOKHRS-SFHVURJKSA-N 2 1 286.463 3.677 20 0 CHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCSC(C)(C)C)C1 ZINC000878156171 1125125451 /nfs/dbraw/zinc/12/54/51/1125125451.db2.gz JNRITBZWPVAIFB-MRXNPFEDSA-N 2 1 298.540 3.572 20 0 CHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCSC(C)(C)C)C1 ZINC000878156171 1125125456 /nfs/dbraw/zinc/12/54/56/1125125456.db2.gz JNRITBZWPVAIFB-MRXNPFEDSA-N 2 1 298.540 3.572 20 0 CHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCSC(C)(C)C)C1 ZINC000878156171 1125125458 /nfs/dbraw/zinc/12/54/58/1125125458.db2.gz JNRITBZWPVAIFB-MRXNPFEDSA-N 2 1 298.540 3.572 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCSC(C)(C)C)C1 ZINC000878162824 1125126334 /nfs/dbraw/zinc/12/63/34/1125126334.db2.gz QERWIHFMGGYVAB-HNNXBMFYSA-N 2 1 286.529 3.572 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCSC(C)(C)C)C1 ZINC000878162824 1125126335 /nfs/dbraw/zinc/12/63/35/1125126335.db2.gz QERWIHFMGGYVAB-HNNXBMFYSA-N 2 1 286.529 3.572 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(-c3ccccc3)s2)CC1 ZINC000392194935 1125142941 /nfs/dbraw/zinc/14/29/41/1125142941.db2.gz RJJBUFRRPWDORE-UHFFFAOYSA-N 2 1 298.455 3.767 20 0 CHADMP Cc1ccc([C@H]([NH2+]CCc2c[nH+]cn2C)C2CCCC2)cc1 ZINC000530460342 1125155602 /nfs/dbraw/zinc/15/56/02/1125155602.db2.gz MSLWXVVUKJKVOL-LJQANCHMSA-N 2 1 297.446 3.792 20 0 CHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C)o1 ZINC000531430203 1125217703 /nfs/dbraw/zinc/21/77/03/1125217703.db2.gz ZPESTAMRKVKRTL-RDJZCZTQSA-N 2 1 278.440 3.578 20 0 CHADMP CC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000532192817 1125238121 /nfs/dbraw/zinc/23/81/21/1125238121.db2.gz UHZJLRDGEPLJGZ-CVEARBPZSA-N 2 1 274.452 3.949 20 0 CHADMP Cc1csc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c1 ZINC001137158418 1125285787 /nfs/dbraw/zinc/28/57/87/1125285787.db2.gz ROALBQAJUCVCKD-HOTGVXAUSA-N 2 1 292.492 3.895 20 0 CHADMP Cc1csc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001137158418 1125285789 /nfs/dbraw/zinc/28/57/89/1125285789.db2.gz ROALBQAJUCVCKD-HOTGVXAUSA-N 2 1 292.492 3.895 20 0 CHADMP Cc1csc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001137158418 1125285791 /nfs/dbraw/zinc/28/57/91/1125285791.db2.gz ROALBQAJUCVCKD-HOTGVXAUSA-N 2 1 292.492 3.895 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398074691 1125332083 /nfs/dbraw/zinc/33/20/83/1125332083.db2.gz FKIBUNUCSDWXIK-LSTDLKDCSA-N 2 1 288.479 3.921 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398074691 1125332087 /nfs/dbraw/zinc/33/20/87/1125332087.db2.gz FKIBUNUCSDWXIK-LSTDLKDCSA-N 2 1 288.479 3.921 20 0 CHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C)CCC1 ZINC000398031712 1125332961 /nfs/dbraw/zinc/33/29/61/1125332961.db2.gz NOYGEFFETATOLV-FUHWJXTLSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C)CCC1 ZINC000398031712 1125332964 /nfs/dbraw/zinc/33/29/64/1125332964.db2.gz NOYGEFFETATOLV-FUHWJXTLSA-N 2 1 286.463 3.677 20 0 CHADMP C(C[NH+]1CCC2(CCCC[NH2+]2)CC1)C1CCCCC1 ZINC000257714601 1125360916 /nfs/dbraw/zinc/36/09/16/1125360916.db2.gz OPJMVXTZQPEPFK-UHFFFAOYSA-N 2 1 264.457 3.565 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C=CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000883238130 1125382134 /nfs/dbraw/zinc/38/21/34/1125382134.db2.gz SSLDLINKZQQNCI-ZHALLVOQSA-N 2 1 284.447 3.595 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C=CCC2)CC[N@H+]1Cc1ccccc1 ZINC000883238130 1125382136 /nfs/dbraw/zinc/38/21/36/1125382136.db2.gz SSLDLINKZQQNCI-ZHALLVOQSA-N 2 1 284.447 3.595 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2cccc(F)c2)CC1(C)C ZINC000623424452 1125384687 /nfs/dbraw/zinc/38/46/87/1125384687.db2.gz SNBNCNQXLDPVQM-MRXNPFEDSA-N 2 1 292.442 3.566 20 0 CHADMP CC(C)CCOc1ccc([C@@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000532442137 1125386819 /nfs/dbraw/zinc/38/68/19/1125386819.db2.gz RPKGAAZQKCDKPC-MRXNPFEDSA-N 2 1 292.467 3.714 20 0 CHADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C(C)C ZINC000532446658 1125387943 /nfs/dbraw/zinc/38/79/43/1125387943.db2.gz GUYQJIQKYUFBHS-HOTGVXAUSA-N 2 1 254.462 3.523 20 0 CHADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc(C)c1F ZINC000532447680 1125388424 /nfs/dbraw/zinc/38/84/24/1125388424.db2.gz RXCRPEWBZFVUSN-XIRDDKMYSA-N 2 1 290.426 3.720 20 0 CHADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc(C)c1F ZINC000532447680 1125388425 /nfs/dbraw/zinc/38/84/25/1125388425.db2.gz RXCRPEWBZFVUSN-XIRDDKMYSA-N 2 1 290.426 3.720 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3ccccc3c2)C1 ZINC000040620658 1125388967 /nfs/dbraw/zinc/38/89/67/1125388967.db2.gz JYXHLAAWYQRIHG-KRWDZBQOSA-N 2 1 282.431 3.660 20 0 CHADMP C=C/C=C\CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000883268978 1125389235 /nfs/dbraw/zinc/38/92/35/1125389235.db2.gz XOHDGSNVULNHCS-AZNIECBKSA-N 2 1 296.458 3.904 20 0 CHADMP CC[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000532459624 1125392453 /nfs/dbraw/zinc/39/24/53/1125392453.db2.gz OFGZMISLUHCBMQ-HZPDHXFCSA-N 2 1 274.452 3.807 20 0 CHADMP C[C@H](C[NH2+]C[C@H]1C[C@H]1c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000348238449 1125427110 /nfs/dbraw/zinc/42/71/10/1125427110.db2.gz FGVRFLZVBVHHFW-RWQQGDIJSA-N 2 1 286.463 3.500 20 0 CHADMP C[C@H](C[NH2+]C[C@H]1C[C@H]1c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000348238449 1125427111 /nfs/dbraw/zinc/42/71/11/1125427111.db2.gz FGVRFLZVBVHHFW-RWQQGDIJSA-N 2 1 286.463 3.500 20 0 CHADMP CC[C@@H](C[NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000348240019 1125427154 /nfs/dbraw/zinc/42/71/54/1125427154.db2.gz HDZSFNBPEVVVBB-RDJZCZTQSA-N 2 1 285.435 3.611 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)Cc2csc3ccccc23)CC[N@@H+]1C ZINC000123778399 1125432547 /nfs/dbraw/zinc/43/25/47/1125432547.db2.gz CMQICMXTFKDIOH-DZGCQCFKSA-N 2 1 288.460 3.816 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)Cc2csc3ccccc23)CC[N@H+]1C ZINC000123778399 1125432549 /nfs/dbraw/zinc/43/25/49/1125432549.db2.gz CMQICMXTFKDIOH-DZGCQCFKSA-N 2 1 288.460 3.816 20 0 CHADMP C[C@H]1C[C@H]([N@H+](C)Cc2csc3ccccc23)CC[NH+]1C ZINC000123778399 1125432550 /nfs/dbraw/zinc/43/25/50/1125432550.db2.gz CMQICMXTFKDIOH-DZGCQCFKSA-N 2 1 288.460 3.816 20 0 CHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2csc3ccccc23)CC[NH+]1C ZINC000123778399 1125432551 /nfs/dbraw/zinc/43/25/51/1125432551.db2.gz CMQICMXTFKDIOH-DZGCQCFKSA-N 2 1 288.460 3.816 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000124965183 1125444175 /nfs/dbraw/zinc/44/41/75/1125444175.db2.gz HJDMLLXSCWURCR-CYBMUJFWSA-N 2 1 291.826 3.928 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000124965183 1125444176 /nfs/dbraw/zinc/44/41/76/1125444176.db2.gz HJDMLLXSCWURCR-CYBMUJFWSA-N 2 1 291.826 3.928 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@]1(C)CCCc2ccccc21 ZINC000348268743 1125455601 /nfs/dbraw/zinc/45/56/01/1125455601.db2.gz TUTQRNLUQQFMLC-IBGZPJMESA-N 2 1 297.446 3.813 20 0 CHADMP CCCc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)s1 ZINC000621724433 1129186801 /nfs/dbraw/zinc/18/68/01/1129186801.db2.gz IUDHROZSUCQASE-AWEZNQCLSA-N 2 1 280.481 3.617 20 0 CHADMP CCCc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)s1 ZINC000621724433 1129186802 /nfs/dbraw/zinc/18/68/02/1129186802.db2.gz IUDHROZSUCQASE-AWEZNQCLSA-N 2 1 280.481 3.617 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cs1 ZINC000294223943 1129214283 /nfs/dbraw/zinc/21/42/83/1129214283.db2.gz NSDIJUIUGOHJFG-CYBMUJFWSA-N 2 1 280.481 3.970 20 0 CHADMP Cc1cccc(CC[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000295078767 1129218055 /nfs/dbraw/zinc/21/80/55/1129218055.db2.gz RSLFWOAVCRYIQQ-BPIHKTFHSA-N 2 1 286.463 3.531 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@]2(C)C[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000638117257 1129243474 /nfs/dbraw/zinc/24/34/74/1129243474.db2.gz PVKMAZQGPZLNCH-QXCFHYIPSA-N 2 1 286.463 3.595 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@]2(C)C[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000638117257 1129243477 /nfs/dbraw/zinc/24/34/77/1129243477.db2.gz PVKMAZQGPZLNCH-QXCFHYIPSA-N 2 1 286.463 3.595 20 0 CHADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@]2(C)C[C@@H]2c2ccccc2)CC[NH+]1C ZINC000638117257 1129243481 /nfs/dbraw/zinc/24/34/81/1129243481.db2.gz PVKMAZQGPZLNCH-QXCFHYIPSA-N 2 1 286.463 3.595 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@]2(C)C[C@@H]2c2ccccc2)CC[NH+]1C ZINC000638117257 1129243484 /nfs/dbraw/zinc/24/34/84/1129243484.db2.gz PVKMAZQGPZLNCH-QXCFHYIPSA-N 2 1 286.463 3.595 20 0 CHADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC3CCC3)CC[N@@H+]2C2CC2)cc1 ZINC000638437969 1129258560 /nfs/dbraw/zinc/25/85/60/1129258560.db2.gz QZZQNGRZNMBVKI-HKUYNNGSSA-N 2 1 284.447 3.744 20 0 CHADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC3CCC3)CC[N@H+]2C2CC2)cc1 ZINC000638437969 1129258565 /nfs/dbraw/zinc/25/85/65/1129258565.db2.gz QZZQNGRZNMBVKI-HKUYNNGSSA-N 2 1 284.447 3.744 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CS[C@H](C)C2)c1 ZINC000638434735 1129258777 /nfs/dbraw/zinc/25/87/77/1129258777.db2.gz PNXRKIOJZQTWJW-RHSMWYFYSA-N 2 1 292.492 3.510 20 0 CHADMP C1=CCC([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638760992 1129269705 /nfs/dbraw/zinc/26/97/05/1129269705.db2.gz VBXOCDPBIIABCY-PKOBYXMFSA-N 2 1 282.431 3.663 20 0 CHADMP C1=CCC([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638760992 1129269709 /nfs/dbraw/zinc/26/97/09/1129269709.db2.gz VBXOCDPBIIABCY-PKOBYXMFSA-N 2 1 282.431 3.663 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000638853749 1129272398 /nfs/dbraw/zinc/27/23/98/1129272398.db2.gz JAIAQYXFEYDVKH-XJKSGUPXSA-N 2 1 296.405 3.660 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000639225130 1129294015 /nfs/dbraw/zinc/29/40/15/1129294015.db2.gz WUZONRAEJOFUHV-LJHODMEESA-N 2 1 284.447 3.743 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000639225130 1129294018 /nfs/dbraw/zinc/29/40/18/1129294018.db2.gz WUZONRAEJOFUHV-LJHODMEESA-N 2 1 284.447 3.743 20 0 CHADMP CCCCC(CCCC)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001258381111 1129302439 /nfs/dbraw/zinc/30/24/39/1129302439.db2.gz SLINGTTXLWZWCF-MRXNPFEDSA-N 2 1 254.462 3.809 20 0 CHADMP C/C=C/C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639353621 1129305476 /nfs/dbraw/zinc/30/54/76/1129305476.db2.gz VNCJJDTZPABANW-FFFWVMEBSA-N 2 1 270.420 3.520 20 0 CHADMP C/C=C/C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639353621 1129305480 /nfs/dbraw/zinc/30/54/80/1129305480.db2.gz VNCJJDTZPABANW-FFFWVMEBSA-N 2 1 270.420 3.520 20 0 CHADMP CC(C)c1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000091843763 1129372944 /nfs/dbraw/zinc/37/29/44/1129372944.db2.gz BHXDXUUUJOSGSC-UHFFFAOYSA-N 2 1 260.425 3.512 20 0 CHADMP C[C@H](CC1CC1)[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001258473631 1129408657 /nfs/dbraw/zinc/40/86/57/1129408657.db2.gz PFSQJSRWRIZTKT-HYVNUMGLSA-N 2 1 264.457 3.514 20 0 CHADMP C[C@H](CC1CC1)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001258473631 1129408659 /nfs/dbraw/zinc/40/86/59/1129408659.db2.gz PFSQJSRWRIZTKT-HYVNUMGLSA-N 2 1 264.457 3.514 20 0 CHADMP C[C@H](CC1CC1)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001258473631 1129408662 /nfs/dbraw/zinc/40/86/62/1129408662.db2.gz PFSQJSRWRIZTKT-HYVNUMGLSA-N 2 1 264.457 3.514 20 0 CHADMP CC[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cc(F)ccc1F ZINC000643546704 1129445436 /nfs/dbraw/zinc/44/54/36/1129445436.db2.gz SWCUYLSRQZCABH-XJKSGUPXSA-N 2 1 294.389 3.680 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1csc(Cl)c1 ZINC000643548957 1129446296 /nfs/dbraw/zinc/44/62/96/1129446296.db2.gz XXTSIEYWVYCKJY-CMPLNLGQSA-N 2 1 284.856 3.727 20 0 CHADMP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCCC2)[C@@H]1c1cccs1 ZINC000742373150 1129475564 /nfs/dbraw/zinc/47/55/64/1129475564.db2.gz PXHZDSMKCDAIIM-XJKSGUPXSA-N 2 1 278.465 3.663 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCCC2)[C@@H]1c1cccs1 ZINC000742373150 1129475565 /nfs/dbraw/zinc/47/55/65/1129475565.db2.gz PXHZDSMKCDAIIM-XJKSGUPXSA-N 2 1 278.465 3.663 20 0 CHADMP CC[C@@H]1CC([NH2+]Cc2ccc(Cl)s2)C[C@@H](CC)[NH2+]1 ZINC001246178571 1131377390 /nfs/dbraw/zinc/37/73/90/1131377390.db2.gz YXDYHHMFEFULOE-GHMZBOCLSA-N 2 1 286.872 3.800 20 0 CHADMP CCCCC[C@H](CCC)[N@@H+]1C[C@H]2[C@H](C1)CCCN2C ZINC001258673836 1129487964 /nfs/dbraw/zinc/48/79/64/1129487964.db2.gz PKARPPQRNSHRPU-ULQDDVLXSA-N 2 1 266.473 3.761 20 0 CHADMP CCCCCC[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000796255716 1129501278 /nfs/dbraw/zinc/50/12/78/1129501278.db2.gz QMPZWYBLVLUTQO-ZDUSSCGKSA-N 2 1 283.485 3.653 20 0 CHADMP C[C@H]1C[C@@H]([N@@H+](C)CCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001258696932 1129517539 /nfs/dbraw/zinc/51/75/39/1129517539.db2.gz IAOAFHCEXPYWPK-JKSUJKDBSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCC(F)(F)CC1 ZINC000647284440 1129564339 /nfs/dbraw/zinc/56/43/39/1129564339.db2.gz QNGYCNXERDEKRV-HZSPNIEDSA-N 2 1 288.426 3.520 20 0 CHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCC(F)(F)CC1 ZINC000647284440 1129564341 /nfs/dbraw/zinc/56/43/41/1129564341.db2.gz QNGYCNXERDEKRV-HZSPNIEDSA-N 2 1 288.426 3.520 20 0 CHADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344265 1129571735 /nfs/dbraw/zinc/57/17/35/1129571735.db2.gz MUEMHJTUBPZWMU-YSHGAJCASA-N 2 1 286.463 3.500 20 0 CHADMP CC[C@H](C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000647479782 1129578582 /nfs/dbraw/zinc/57/85/82/1129578582.db2.gz ULQTXXFKYAFNSR-QRQLOZEOSA-N 2 1 286.463 3.644 20 0 CHADMP c1csc([C@H]2CCC[N@@H+]2CCCC2CC[NH2+]CC2)c1 ZINC000647872583 1129586130 /nfs/dbraw/zinc/58/61/30/1129586130.db2.gz BZYOBPGOYROGHV-OAHLLOKOSA-N 2 1 278.465 3.665 20 0 CHADMP C(CC1CC[NH2+]CC1)C[N@@H+](C1CC1)C1CCCCC1 ZINC000647877231 1129587128 /nfs/dbraw/zinc/58/71/28/1129587128.db2.gz LSZPHZSFHQBFPI-UHFFFAOYSA-N 2 1 264.457 3.563 20 0 CHADMP C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647886792 1129587400 /nfs/dbraw/zinc/58/74/00/1129587400.db2.gz WKIVXCXRFPOCNP-CQSZACIVSA-N 2 1 290.426 3.525 20 0 CHADMP c1cc([C@H]2CCC[N@@H+]2CCCC2CC[NH2+]CC2)cs1 ZINC000647875510 1129587409 /nfs/dbraw/zinc/58/74/09/1129587409.db2.gz FKFLECAIWXMCID-MRXNPFEDSA-N 2 1 278.465 3.665 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000648457964 1129606525 /nfs/dbraw/zinc/60/65/25/1129606525.db2.gz AOFJKGWBLSITRS-LJQANCHMSA-N 2 1 297.446 3.509 20 0 CHADMP C[C@H](C[N@H+]1CCC[C@H](Cc2nccn2C)C1)CC(C)(C)C ZINC001168848830 1129679562 /nfs/dbraw/zinc/67/95/62/1129679562.db2.gz RJKQKUJWDGPMQC-JKSUJKDBSA-N 2 1 291.483 3.747 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](Cc2ccccc2)CC(C)C)CC1 ZINC001169050541 1129692145 /nfs/dbraw/zinc/69/21/45/1129692145.db2.gz QETWDKXMAJXQEY-IBGZPJMESA-N 2 1 288.479 3.718 20 0 CHADMP c1ccc2c(c1)cccc2CCC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000420409830 1129695265 /nfs/dbraw/zinc/69/52/65/1129695265.db2.gz WEOBXHHJNWGKNM-HXUWFJFHSA-N 2 1 294.442 3.600 20 0 CHADMP c1ccc2c(c1)cccc2CCC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000420409830 1129695266 /nfs/dbraw/zinc/69/52/66/1129695266.db2.gz WEOBXHHJNWGKNM-HXUWFJFHSA-N 2 1 294.442 3.600 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@@H]3CCCC[C@@H]13)C2 ZINC001169101677 1129697529 /nfs/dbraw/zinc/69/75/29/1129697529.db2.gz UZVHYHQZKHQFTI-KHHDSSOXSA-N 2 1 276.468 3.560 20 0 CHADMP Cc1ccccc1CC(C)(C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169116545 1129699993 /nfs/dbraw/zinc/69/99/93/1129699993.db2.gz QYDNFLZVMSWZMQ-NNZMDNLPSA-N 2 1 286.463 3.531 20 0 CHADMP Cc1cccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC001169119557 1129700291 /nfs/dbraw/zinc/70/02/91/1129700291.db2.gz UJWPYCHASYRCGE-VQHPVUNQSA-N 2 1 272.436 3.579 20 0 CHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](Cc1ccccc1)C(C)(C)C)C2 ZINC001169123626 1129701066 /nfs/dbraw/zinc/70/10/66/1129701066.db2.gz LKIVLGRARMKIFO-PIIMJCKOSA-N 2 1 286.463 3.912 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](Cc1ccccc1)C(C)(C)C)C2 ZINC001169123626 1129701069 /nfs/dbraw/zinc/70/10/69/1129701069.db2.gz LKIVLGRARMKIFO-PIIMJCKOSA-N 2 1 286.463 3.912 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+](Cc1ccccc1)C(C)(C)C)C2 ZINC001169123626 1129701070 /nfs/dbraw/zinc/70/10/70/1129701070.db2.gz LKIVLGRARMKIFO-PIIMJCKOSA-N 2 1 286.463 3.912 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](Cc1ccccc1)C(C)(C)C)C2 ZINC001169123626 1129701072 /nfs/dbraw/zinc/70/10/72/1129701072.db2.gz LKIVLGRARMKIFO-PIIMJCKOSA-N 2 1 286.463 3.912 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC[C@H]1c1ccccc1)C2 ZINC001169126990 1129701894 /nfs/dbraw/zinc/70/18/94/1129701894.db2.gz ZADHYUNSGHMKMF-MANSERQUSA-N 2 1 284.447 3.839 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCC[C@H]1c1ccccc1)C2 ZINC001169126990 1129701898 /nfs/dbraw/zinc/70/18/98/1129701898.db2.gz ZADHYUNSGHMKMF-MANSERQUSA-N 2 1 284.447 3.839 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCC[C@H]1c1ccccc1)C2 ZINC001169126990 1129701901 /nfs/dbraw/zinc/70/19/01/1129701901.db2.gz ZADHYUNSGHMKMF-MANSERQUSA-N 2 1 284.447 3.839 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(c3cccs3)CC1)C2 ZINC001169139257 1129702396 /nfs/dbraw/zinc/70/23/96/1129702396.db2.gz ACGAGXYNTHHLDP-MUJYYYPQSA-N 2 1 290.476 3.553 20 0 CHADMP CCc1ccc[nH+]c1N[C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169139584 1129702722 /nfs/dbraw/zinc/70/27/22/1129702722.db2.gz CBFZBSXRNXSENK-YOEHRIQHSA-N 2 1 275.440 3.600 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC001169108961 1129703357 /nfs/dbraw/zinc/70/33/57/1129703357.db2.gz XCSUUDAWFMVVFT-LEUOFYLZSA-N 2 1 272.436 3.579 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(C)(C)c1cccc(Cl)c1)C2 ZINC001169107647 1129703421 /nfs/dbraw/zinc/70/34/21/1129703421.db2.gz IUKWUXIXMGGWFN-PHZGNYQRSA-N 2 1 292.854 3.790 20 0 CHADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(Cl)c1 ZINC001169108077 1129703443 /nfs/dbraw/zinc/70/34/43/1129703443.db2.gz OAAQZYCIAGKPBI-BQDHKBFISA-N 2 1 278.827 3.616 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1C ZINC001169107136 1129703762 /nfs/dbraw/zinc/70/37/62/1129703762.db2.gz DVGFSTOZMMQQAH-XLMAVXFVSA-N 2 1 272.436 3.661 20 0 CHADMP CC[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169145216 1129704239 /nfs/dbraw/zinc/70/42/39/1129704239.db2.gz MAIJKHRSKGBBMH-BJWYYQGGSA-N 2 1 292.854 3.787 20 0 CHADMP CC[NH+](Cc1ccc(Cl)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169145216 1129704240 /nfs/dbraw/zinc/70/42/40/1129704240.db2.gz MAIJKHRSKGBBMH-BJWYYQGGSA-N 2 1 292.854 3.787 20 0 CHADMP CC[NH+](Cc1ccc(Cl)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169145216 1129704242 /nfs/dbraw/zinc/70/42/42/1129704242.db2.gz MAIJKHRSKGBBMH-BJWYYQGGSA-N 2 1 292.854 3.787 20 0 CHADMP CC[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169148437 1129704365 /nfs/dbraw/zinc/70/43/65/1129704365.db2.gz YYPIAPRYCPWOQZ-MHORFTMASA-N 2 1 272.436 3.695 20 0 CHADMP CC[C@@H](c1ccccc1)[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169148437 1129704368 /nfs/dbraw/zinc/70/43/68/1129704368.db2.gz YYPIAPRYCPWOQZ-MHORFTMASA-N 2 1 272.436 3.695 20 0 CHADMP CC[C@@H](c1ccccc1)[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169148437 1129704371 /nfs/dbraw/zinc/70/43/71/1129704371.db2.gz YYPIAPRYCPWOQZ-MHORFTMASA-N 2 1 272.436 3.695 20 0 CHADMP CCCC[NH+](CCCC)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169140502 1129705992 /nfs/dbraw/zinc/70/59/92/1129705992.db2.gz KMGMIOIKXWDVGQ-ZSHCYNCHSA-N 2 1 252.446 3.514 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](c2ccccc2F)C2CCC2)CC1 ZINC001169230294 1129710346 /nfs/dbraw/zinc/71/03/46/1129710346.db2.gz WQNUWTKUEIHSBU-GOSISDBHSA-N 2 1 290.426 3.741 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](c2ccccc2F)C2CCC2)CC1 ZINC001169230295 1129710489 /nfs/dbraw/zinc/71/04/89/1129710489.db2.gz WQNUWTKUEIHSBU-SFHVURJKSA-N 2 1 290.426 3.741 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](CC2CC2)c2ccc(F)cc2)CC1 ZINC001169240435 1129711956 /nfs/dbraw/zinc/71/19/56/1129711956.db2.gz IJTNPLXTABVRKF-GOSISDBHSA-N 2 1 290.426 3.741 20 0 CHADMP CC[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccccc2C)CC1 ZINC001169251755 1129713061 /nfs/dbraw/zinc/71/30/61/1129713061.db2.gz ZGEDOZCKFZWWOB-SFHVURJKSA-N 2 1 272.436 3.616 20 0 CHADMP CC[NH+]1CCC([N@H+]2CCC[C@H]2c2ccccc2C)CC1 ZINC001169251755 1129713063 /nfs/dbraw/zinc/71/30/63/1129713063.db2.gz ZGEDOZCKFZWWOB-SFHVURJKSA-N 2 1 272.436 3.616 20 0 CHADMP Cc1cc(C)c2[nH+]c(NCC[C@H]3CCC[NH2+]3)cc(C)c2c1 ZINC001169563171 1129737549 /nfs/dbraw/zinc/73/75/49/1129737549.db2.gz USXNLJFAIDFFOD-OAHLLOKOSA-N 2 1 283.419 3.714 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2(C3CCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000651984174 1129755225 /nfs/dbraw/zinc/75/52/25/1129755225.db2.gz VYFYDRYXCSTKDV-LPHOPBHVSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2(C3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000651984174 1129755228 /nfs/dbraw/zinc/75/52/28/1129755228.db2.gz VYFYDRYXCSTKDV-LPHOPBHVSA-N 2 1 298.474 3.962 20 0 CHADMP Cc1cccc2c1cc[nH+]c2NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001156380223 1129758324 /nfs/dbraw/zinc/75/83/24/1129758324.db2.gz YUWUDVNZZUFTIV-HNNXBMFYSA-N 2 1 283.419 3.687 20 0 CHADMP Cc1cccc2c1cc[nH+]c2NCC[C@@H]1CCC[N@H+](C)C1 ZINC001156380223 1129758327 /nfs/dbraw/zinc/75/83/27/1129758327.db2.gz YUWUDVNZZUFTIV-HNNXBMFYSA-N 2 1 283.419 3.687 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](CC(C)C)c1ccc(F)cc1 ZINC000652146295 1129758568 /nfs/dbraw/zinc/75/85/68/1129758568.db2.gz PKBMBJLHCKZZFJ-QGZVFWFLSA-N 2 1 289.398 3.708 20 0 CHADMP CCc1nc(C)c([C@H](C)[NH2+]CCC[N@H+](C)CC(C)C)s1 ZINC000652222807 1129760979 /nfs/dbraw/zinc/76/09/79/1129760979.db2.gz YMOWOAFNYVICAH-ZDUSSCGKSA-N 2 1 297.512 3.642 20 0 CHADMP CCc1nc(C)c([C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)s1 ZINC000652222807 1129760983 /nfs/dbraw/zinc/76/09/83/1129760983.db2.gz YMOWOAFNYVICAH-ZDUSSCGKSA-N 2 1 297.512 3.642 20 0 CHADMP Cc1c(C)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)ccc1Cl ZINC001206025581 1129765948 /nfs/dbraw/zinc/76/59/48/1129765948.db2.gz OEXJEWWWIHQEKE-SWLSCSKDSA-N 2 1 294.870 3.764 20 0 CHADMP CC(C)c1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC001206025697 1129766297 /nfs/dbraw/zinc/76/62/97/1129766297.db2.gz PDYGLVQJSYWAJP-CRAIPNDOSA-N 2 1 274.452 3.617 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(C)(C)C2CC2)C[C@@H]1C ZINC000653564138 1129785171 /nfs/dbraw/zinc/78/51/71/1129785171.db2.gz RBDCBEQDAMYGPM-HOCLYGCPSA-N 2 1 266.473 3.617 20 0 CHADMP COc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1C ZINC000902405297 1130007200 /nfs/dbraw/zinc/00/72/00/1130007200.db2.gz LUWNSKBDBTWTJL-XWIAVFTESA-N 2 1 296.414 3.799 20 0 CHADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000902948926 1130089255 /nfs/dbraw/zinc/08/92/55/1130089255.db2.gz YNPBXHZCXUDIMF-AVEIZBFRSA-N 2 1 290.495 3.808 20 0 CHADMP C[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[C@H]1C ZINC000903055846 1130106096 /nfs/dbraw/zinc/10/60/96/1130106096.db2.gz MGNIUHYUTWHKFO-YETUKKHOSA-N 2 1 276.468 3.559 20 0 CHADMP C(CC1CCCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903061753 1130107046 /nfs/dbraw/zinc/10/70/46/1130107046.db2.gz IYTGNVKVIGDOMP-ZNXRZULTSA-N 2 1 276.468 3.704 20 0 CHADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1CCCCCCC1)C2 ZINC000903056350 1130107126 /nfs/dbraw/zinc/10/71/26/1130107126.db2.gz SHLNQNCNOIQHTK-ZNXRZULTSA-N 2 1 276.468 3.847 20 0 CHADMP Cc1ccccc1C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903079512 1130109940 /nfs/dbraw/zinc/10/99/40/1130109940.db2.gz CAQJKTLKJVZICQ-XIHRNRATSA-N 2 1 298.474 3.673 20 0 CHADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CC[C@H]3CCC[C@H]3C1)C2 ZINC000903104102 1130113783 /nfs/dbraw/zinc/11/37/83/1130113783.db2.gz QGFFCESLXQBAFJ-PPFZMYMVSA-N 2 1 288.479 3.703 20 0 CHADMP Cc1cccc2c1CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903115355 1130115523 /nfs/dbraw/zinc/11/55/23/1130115523.db2.gz CKRDFNWWNZIRQN-WPVUHESFSA-N 2 1 296.458 3.730 20 0 CHADMP CC(C)C(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(C)C ZINC000903159518 1130121566 /nfs/dbraw/zinc/12/15/66/1130121566.db2.gz YJSXQGZGJUMAQY-ZXFUBFMLSA-N 2 1 278.484 3.662 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CCC2(c3ccccc3)CC2)CC1(C)C ZINC000903171326 1130123876 /nfs/dbraw/zinc/12/38/76/1130123876.db2.gz VTSJCDNQKURUNJ-KRWDZBQOSA-N 2 1 286.463 3.571 20 0 CHADMP C=Cc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903175482 1130125049 /nfs/dbraw/zinc/12/50/49/1130125049.db2.gz SUXKQRMREFCAMW-CTXDPNEZSA-N 2 1 296.458 3.620 20 0 CHADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CCC2(CC2)CC1 ZINC000903210952 1130131041 /nfs/dbraw/zinc/13/10/41/1130131041.db2.gz BYCCAVDCZCCOHG-ZNXRZULTSA-N 2 1 288.479 3.704 20 0 CHADMP FC1(F)CC[C@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903341945 1130163173 /nfs/dbraw/zinc/16/31/73/1130163173.db2.gz VRUTWPPAMHKNLF-WPXLMEDKSA-N 2 1 298.421 3.559 20 0 CHADMP CC(C)CCC[C@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC001170082231 1130175263 /nfs/dbraw/zinc/17/52/63/1130175263.db2.gz KLZVEKMYHWQFEZ-INIZCTEOSA-N 2 1 254.462 3.619 20 0 CHADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H]2c2ccccc2Cl)C1 ZINC000903431437 1130176300 /nfs/dbraw/zinc/17/63/00/1130176300.db2.gz OFVNHVIXGJOCGC-ZENOOKHLSA-N 2 1 278.827 3.604 20 0 CHADMP Cl/C=C\C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000903443173 1130177869 /nfs/dbraw/zinc/17/78/69/1130177869.db2.gz CNUNAFUJOJYTGA-PBTQQURTSA-N 2 1 290.838 3.524 20 0 CHADMP CC[N@H+](Cc1ccc(Cl)s1)CC1CC[NH+](C)CC1 ZINC000788471886 1130188875 /nfs/dbraw/zinc/18/88/75/1130188875.db2.gz WFJFALJVMOLKHB-UHFFFAOYSA-N 2 1 286.872 3.565 20 0 CHADMP CC(C)[N@H+](Cc1cccc(Cl)c1)CC1CC[NH+](C)CC1 ZINC000788479604 1130188944 /nfs/dbraw/zinc/18/89/44/1130188944.db2.gz XFRMMBXKEOUWHA-UHFFFAOYSA-N 2 1 294.870 3.892 20 0 CHADMP CC[N@H+](Cc1cccc(Cl)c1)CC1CC[NH+](C)CC1 ZINC000788478400 1130189219 /nfs/dbraw/zinc/18/92/19/1130189219.db2.gz JRAUMWHQJKJTMI-UHFFFAOYSA-N 2 1 280.843 3.504 20 0 CHADMP Cc1ccc(C[N@H+](CC2CC[NH+](C)CC2)C(C)C)s1 ZINC000788479337 1130189362 /nfs/dbraw/zinc/18/93/62/1130189362.db2.gz SZNMZZBBQOJVLI-UHFFFAOYSA-N 2 1 280.481 3.609 20 0 CHADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000788484558 1130190035 /nfs/dbraw/zinc/19/00/35/1130190035.db2.gz ZKLYNKRENHGFGI-IBGZPJMESA-N 2 1 286.463 3.598 20 0 CHADMP CC[C@H]1c2ccsc2CC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903885590 1130206946 /nfs/dbraw/zinc/20/69/46/1130206946.db2.gz MKOPOIZHIFRIPG-HUORLRHWSA-N 2 1 290.476 3.588 20 0 CHADMP Cc1ccc([C@H](C)[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903879429 1130207366 /nfs/dbraw/zinc/20/73/66/1130207366.db2.gz AWJNSZCTNDLYFE-UNPWZGGWSA-N 2 1 272.436 3.518 20 0 CHADMP [NH3+][C@H](CC(F)F)C[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000903886255 1130209321 /nfs/dbraw/zinc/20/93/21/1130209321.db2.gz OFVXZPUBBUZGAM-CABCVRRESA-N 2 1 282.378 3.586 20 0 CHADMP [NH3+][C@H](CC(F)F)C[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000903886255 1130209323 /nfs/dbraw/zinc/20/93/23/1130209323.db2.gz OFVXZPUBBUZGAM-CABCVRRESA-N 2 1 282.378 3.586 20 0 CHADMP CC[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](C)Cc1ccsc1 ZINC000903913935 1130210736 /nfs/dbraw/zinc/21/07/36/1130210736.db2.gz GBGSOHNDUQLDPR-HZTRTUMWSA-N 2 1 292.492 3.532 20 0 CHADMP C[C@H]1CC[C@H]([N@@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170124535 1130284836 /nfs/dbraw/zinc/28/48/36/1130284836.db2.gz XJRLEOYDWMZYLU-DKIMLUQUSA-N 2 1 278.484 3.937 20 0 CHADMP C[C@@H]([NH3+])c1cccc(C2=CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001240386634 1130287133 /nfs/dbraw/zinc/28/71/33/1130287133.db2.gz GIJQCUSZHMKDTL-MRXNPFEDSA-N 2 1 292.426 3.996 20 0 CHADMP C[C@H]([NH3+])c1cccc(C2=CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001240386630 1130287341 /nfs/dbraw/zinc/28/73/41/1130287341.db2.gz GIJQCUSZHMKDTL-INIZCTEOSA-N 2 1 292.426 3.996 20 0 CHADMP c1ccc2c(c1)cccc2CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000677237048 1130296195 /nfs/dbraw/zinc/29/61/95/1130296195.db2.gz ZFSMNINRYARVEO-RTBURBONSA-N 2 1 294.442 3.599 20 0 CHADMP Cc1ccccc1[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000677241700 1130298376 /nfs/dbraw/zinc/29/83/76/1130298376.db2.gz UBCVYNHCWBTWGB-ZIFCJYIRSA-N 2 1 286.463 3.909 20 0 CHADMP Cc1ccccc1[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000677240277 1130298394 /nfs/dbraw/zinc/29/83/94/1130298394.db2.gz FCTATHUQNBONSY-JENIJYKNSA-N 2 1 284.447 3.663 20 0 CHADMP CCC[N@H+](CCCn1cc[nH+]c1C)Cc1ccccc1F ZINC000677817995 1130333760 /nfs/dbraw/zinc/33/37/60/1130333760.db2.gz DVKKHZGUKIBOHF-UHFFFAOYSA-N 2 1 289.398 3.633 20 0 CHADMP CCC[N@@H+](CCCn1cc[nH+]c1C)Cc1ccccc1F ZINC000677817995 1130333764 /nfs/dbraw/zinc/33/37/64/1130333764.db2.gz DVKKHZGUKIBOHF-UHFFFAOYSA-N 2 1 289.398 3.633 20 0 CHADMP C[C@@H]1CC[C@H]([N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001170147158 1130343285 /nfs/dbraw/zinc/34/32/85/1130343285.db2.gz AKLMXKOQCLHJQJ-QRQLOZEOSA-N 2 1 286.463 3.629 20 0 CHADMP C[C@@H]1CC[C@H]([NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001170147158 1130343290 /nfs/dbraw/zinc/34/32/90/1130343290.db2.gz AKLMXKOQCLHJQJ-QRQLOZEOSA-N 2 1 286.463 3.629 20 0 CHADMP C[C@@H]1CC[C@H]([NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001170147158 1130343296 /nfs/dbraw/zinc/34/32/96/1130343296.db2.gz AKLMXKOQCLHJQJ-QRQLOZEOSA-N 2 1 286.463 3.629 20 0 CHADMP c1ccc(C2CC2)c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000678281440 1130389956 /nfs/dbraw/zinc/38/99/56/1130389956.db2.gz PKCWXZFMVKGBGV-QGZVFWFLSA-N 2 1 298.474 3.872 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C2CCCC2)CC1 ZINC000678295373 1130394092 /nfs/dbraw/zinc/39/40/92/1130394092.db2.gz VSOKJPJXXXHHRE-MRXNPFEDSA-N 2 1 278.484 3.906 20 0 CHADMP CCCC[C@H](CC)CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000678359288 1130408446 /nfs/dbraw/zinc/40/84/46/1130408446.db2.gz CURQFRJTYBVPAA-YESZJQIVSA-N 2 1 266.473 3.809 20 0 CHADMP CCCC1CCC(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000678497164 1130423001 /nfs/dbraw/zinc/42/30/01/1130423001.db2.gz KWLXGWOJIWFBFY-FOIPXRHGSA-N 2 1 278.484 3.809 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000678776499 1130454090 /nfs/dbraw/zinc/45/40/90/1130454090.db2.gz GAJHQLLQWAQNMV-ZWKOTPCHSA-N 2 1 272.436 3.602 20 0 CHADMP CC1CC(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001170206534 1130459235 /nfs/dbraw/zinc/45/92/35/1130459235.db2.gz WIIIKFZDFJYJNZ-LYBXBRPPSA-N 2 1 298.474 3.631 20 0 CHADMP CC1CC(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001170206534 1130459244 /nfs/dbraw/zinc/45/92/44/1130459244.db2.gz WIIIKFZDFJYJNZ-LYBXBRPPSA-N 2 1 298.474 3.631 20 0 CHADMP CC(C)[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CCC[NH2+]CC1 ZINC001206579900 1130487880 /nfs/dbraw/zinc/48/78/80/1130487880.db2.gz AUCOIJSVSSXBAB-INIZCTEOSA-N 2 1 280.843 3.693 20 0 CHADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCC1 ZINC000679398209 1130527277 /nfs/dbraw/zinc/52/72/77/1130527277.db2.gz MALSINGHOKYVHU-GEALJGNFSA-N 2 1 298.474 3.960 20 0 CHADMP CC1=C[C@H](C)[C@@H](C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)CC1 ZINC001206580570 1130538499 /nfs/dbraw/zinc/53/84/99/1130538499.db2.gz FCJDFVADZOZECY-RCCFBDPRSA-N 2 1 278.484 3.831 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+]CC(CC)(CC)CC)C1 ZINC000679840844 1130560146 /nfs/dbraw/zinc/56/01/46/1130560146.db2.gz NZQBJLSERRUQFD-OAHLLOKOSA-N 2 1 254.462 3.524 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cc(C)cc(C)[nH+]1 ZINC001158730718 1130615710 /nfs/dbraw/zinc/61/57/10/1130615710.db2.gz WUSRSCDUBGOLTC-INIZCTEOSA-N 2 1 281.403 3.939 20 0 CHADMP C[C@H](C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)c1cccc2ccccc21 ZINC001235033274 1130703041 /nfs/dbraw/zinc/70/30/41/1130703041.db2.gz XBJLMLOFNMRNFW-OXQOHEQNSA-N 2 1 294.442 3.629 20 0 CHADMP Cc1ccc(Cl)c(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235041071 1130704345 /nfs/dbraw/zinc/70/43/45/1130704345.db2.gz XLAWNCRCROXHJR-QGZVFWFLSA-N 2 1 292.854 3.757 20 0 CHADMP Cc1ccc(Cl)c(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235041071 1130704349 /nfs/dbraw/zinc/70/43/49/1130704349.db2.gz XLAWNCRCROXHJR-QGZVFWFLSA-N 2 1 292.854 3.757 20 0 CHADMP c1cc(C2CCCCC2)ccc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235036273 1130704458 /nfs/dbraw/zinc/70/44/58/1130704458.db2.gz KJWFUYZUDSTYPU-HXUWFJFHSA-N 2 1 298.474 3.920 20 0 CHADMP CC1=CC[C@@H](CC[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)C1(C)C ZINC001235038282 1130705198 /nfs/dbraw/zinc/70/51/98/1130705198.db2.gz FLDNBGHMTVBXSH-HKUYNNGSSA-N 2 1 290.495 3.977 20 0 CHADMP CC(C)=CCCC1=CC[C@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001235038841 1130705298 /nfs/dbraw/zinc/70/52/98/1130705298.db2.gz QRJIGPPPZLRPOK-GBESFXJTSA-N 2 1 288.479 3.896 20 0 CHADMP CC(C)=CCCC1=CC[C@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001235038841 1130705301 /nfs/dbraw/zinc/70/53/01/1130705301.db2.gz QRJIGPPPZLRPOK-GBESFXJTSA-N 2 1 288.479 3.896 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c(Cl)c1 ZINC001235043751 1130706305 /nfs/dbraw/zinc/70/63/05/1130706305.db2.gz GXXCHFYUCYJIGO-QGZVFWFLSA-N 2 1 292.854 3.757 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c(Cl)c1 ZINC001235043751 1130706310 /nfs/dbraw/zinc/70/63/10/1130706310.db2.gz GXXCHFYUCYJIGO-QGZVFWFLSA-N 2 1 292.854 3.757 20 0 CHADMP c1oc2ccccc2c1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235046188 1130707155 /nfs/dbraw/zinc/70/71/55/1130707155.db2.gz NRSVZBCBDCZFHE-SFHVURJKSA-N 2 1 284.403 3.541 20 0 CHADMP C[C@@H](C[N@@H+]1CCC[C@]12CC[NH2+]C2)c1cccc2ccccc21 ZINC001235111674 1130712135 /nfs/dbraw/zinc/71/21/35/1130712135.db2.gz RXILTTPHYAPXSU-OXJNMPFZSA-N 2 1 294.442 3.771 20 0 CHADMP C[C@@H](C[N@H+]1CCC[C@]12CC[NH2+]C2)c1cccc2ccccc21 ZINC001235111674 1130712138 /nfs/dbraw/zinc/71/21/38/1130712138.db2.gz RXILTTPHYAPXSU-OXJNMPFZSA-N 2 1 294.442 3.771 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235120332 1130713623 /nfs/dbraw/zinc/71/36/23/1130713623.db2.gz NOEPLRLZKWUGPT-FQEVSTJZSA-N 2 1 294.442 3.866 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235120332 1130713629 /nfs/dbraw/zinc/71/36/29/1130713629.db2.gz NOEPLRLZKWUGPT-FQEVSTJZSA-N 2 1 294.442 3.866 20 0 CHADMP c1cc2ccc(C[N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)cc2[nH]1 ZINC001235152595 1130714391 /nfs/dbraw/zinc/71/43/91/1130714391.db2.gz HKTUCJOPZWLMCJ-IBGZPJMESA-N 2 1 297.446 3.522 20 0 CHADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CC1 ZINC001235152965 1130715871 /nfs/dbraw/zinc/71/58/71/1130715871.db2.gz QEIPKDXCINEEIL-WDSOQIARSA-N 2 1 290.495 3.833 20 0 CHADMP c1c2ccccc2oc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235156546 1130715951 /nfs/dbraw/zinc/71/59/51/1130715951.db2.gz QQSNJXGHAIHZPM-GOSISDBHSA-N 2 1 298.430 3.787 20 0 CHADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001235152969 1130716190 /nfs/dbraw/zinc/71/61/90/1130716190.db2.gz QEIPKDXCINEEIL-YTQUADARSA-N 2 1 290.495 3.833 20 0 CHADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)CC1 ZINC001235171268 1130717615 /nfs/dbraw/zinc/71/76/15/1130717615.db2.gz IHKLNJCNUVTFIK-KSZLIROESA-N 2 1 276.468 3.587 20 0 CHADMP c1cc2cccc(C[N@@H+]3CCCC[C@@]34CCC[NH2+]C4)c2o1 ZINC001235177804 1130719014 /nfs/dbraw/zinc/71/90/14/1130719014.db2.gz KOYMHWKOROSSKF-SFHVURJKSA-N 2 1 284.403 3.541 20 0 CHADMP c1cc2cccc(C[N@H+]3CCCC[C@@]34CCC[NH2+]C4)c2o1 ZINC001235177804 1130719020 /nfs/dbraw/zinc/71/90/20/1130719020.db2.gz KOYMHWKOROSSKF-SFHVURJKSA-N 2 1 284.403 3.541 20 0 CHADMP c1ccc2cc(C[N@H+]3CCCCC34CC[NH2+]CC4)ccc2c1 ZINC001235190971 1130720272 /nfs/dbraw/zinc/72/02/72/1130720272.db2.gz MVCVBLXRANJZIE-UHFFFAOYSA-N 2 1 294.442 3.948 20 0 CHADMP Cc1cccc(Cl)c1C[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001235189978 1130721117 /nfs/dbraw/zinc/72/11/17/1130721117.db2.gz RDSDGTHPFHFSRV-UHFFFAOYSA-N 2 1 292.854 3.757 20 0 CHADMP Cc1cccc(Cl)c1C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235189978 1130721121 /nfs/dbraw/zinc/72/11/21/1130721121.db2.gz RDSDGTHPFHFSRV-UHFFFAOYSA-N 2 1 292.854 3.757 20 0 CHADMP CCCc1ccc(C[N@H+]2CCCCC23CC[NH2+]CC3)cc1 ZINC001235189355 1130721562 /nfs/dbraw/zinc/72/15/62/1130721562.db2.gz IWLWTGQZHYIZFF-UHFFFAOYSA-N 2 1 286.463 3.747 20 0 CHADMP C[C@H](C[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1)c1cccc2ccccc21 ZINC001235209015 1130724167 /nfs/dbraw/zinc/72/41/67/1130724167.db2.gz GTSPDUDJDOWPRL-MDYRTPRTSA-N 2 1 294.442 3.627 20 0 CHADMP C[C@H](C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1)c1cccc2ccccc21 ZINC001235209015 1130724172 /nfs/dbraw/zinc/72/41/72/1130724172.db2.gz GTSPDUDJDOWPRL-MDYRTPRTSA-N 2 1 294.442 3.627 20 0 CHADMP CCC(CC)C[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235248577 1130726853 /nfs/dbraw/zinc/72/68/53/1130726853.db2.gz WJUSTAYQFZKXGV-RTBURBONSA-N 2 1 286.463 3.644 20 0 CHADMP c1cc(C2CCCCC2)ccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235264969 1130728879 /nfs/dbraw/zinc/72/88/79/1130728879.db2.gz RZPBJXHTPKLIEM-UXHICEINSA-N 2 1 298.474 3.918 20 0 CHADMP c1ccc([C@H]2C[NH2+]C[C@]23CC[N@H+](CCC2CCCC2)C3)cc1 ZINC001235380895 1130737172 /nfs/dbraw/zinc/73/71/72/1130737172.db2.gz XDXSLMZECYURIO-UXHICEINSA-N 2 1 298.474 3.646 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235410505 1130739968 /nfs/dbraw/zinc/73/99/68/1130739968.db2.gz YILLZPCZUDEQSC-KSZLIROESA-N 2 1 296.474 3.783 20 0 CHADMP c1cc2cccc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2o1 ZINC001235429312 1130741246 /nfs/dbraw/zinc/74/12/46/1130741246.db2.gz SUBCCFBLNOGVPN-DLBZAZTESA-N 2 1 298.430 3.644 20 0 CHADMP Cc1ccc(C)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235428597 1130742227 /nfs/dbraw/zinc/74/22/27/1130742227.db2.gz VKXDBOIIQPQWOY-ROUUACIJSA-N 2 1 286.463 3.515 20 0 CHADMP c1cc2cccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2o1 ZINC001235429315 1130742778 /nfs/dbraw/zinc/74/27/78/1130742778.db2.gz SUBCCFBLNOGVPN-SJORKVTESA-N 2 1 298.430 3.644 20 0 CHADMP Cc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc2c(c1)C[NH2+]C2 ZINC001235443386 1130745351 /nfs/dbraw/zinc/74/53/51/1130745351.db2.gz NAROENKMYGANTP-HXUWFJFHSA-N 2 1 292.426 3.935 20 0 CHADMP Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC001235444810 1130745624 /nfs/dbraw/zinc/74/56/24/1130745624.db2.gz RXCWSHKAXXVHQM-IBGZPJMESA-N 2 1 280.415 3.791 20 0 CHADMP C[N@@H+](Cc1ccc2oc3ccccc3c2c1)C1CC[NH2+]CC1 ZINC001235464146 1130747274 /nfs/dbraw/zinc/74/72/74/1130747274.db2.gz AAUJLYXKJWAFPH-UHFFFAOYSA-N 2 1 294.398 3.770 20 0 CHADMP CC[N@@H+](CC[C@H](C)CC(C)(C)C)C1CC[NH2+]CC1 ZINC001235762287 1130776854 /nfs/dbraw/zinc/77/68/54/1130776854.db2.gz YDORMBANJJQKNX-AWEZNQCLSA-N 2 1 254.462 3.523 20 0 CHADMP CC/C=C\CCCCCC[N@@H+](C)C1CC[NH2+]CC1 ZINC001235473320 1130749777 /nfs/dbraw/zinc/74/97/77/1130749777.db2.gz NFVLADFMFQBEEB-PLNGDYQASA-N 2 1 252.446 3.587 20 0 CHADMP c1ccc([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001235674853 1130765644 /nfs/dbraw/zinc/76/56/44/1130765644.db2.gz QXWMAGZZEBUTOP-HXUWFJFHSA-N 2 1 292.426 3.669 20 0 CHADMP Cc1ccc([C@H]2CCC[N@H+]2Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001235677282 1130766291 /nfs/dbraw/zinc/76/62/91/1130766291.db2.gz GECGZIBYODBFLU-HXUWFJFHSA-N 2 1 292.426 3.935 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC001235676233 1130766345 /nfs/dbraw/zinc/76/63/45/1130766345.db2.gz PNDNSSIFNSVQQD-MRXNPFEDSA-N 2 1 274.452 3.545 20 0 CHADMP Cc1ccc(F)c(C[N@@H+](C)CCC2CC[NH2+]CC2)c1Cl ZINC001235717697 1130771211 /nfs/dbraw/zinc/77/12/11/1130771211.db2.gz ZFGKARVDNJCEPG-UHFFFAOYSA-N 2 1 298.833 3.609 20 0 CHADMP Cc1ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)c(C)c1Cl ZINC001235717046 1130771273 /nfs/dbraw/zinc/77/12/73/1130771273.db2.gz BUAFWWXTBFXXRB-UHFFFAOYSA-N 2 1 294.870 3.778 20 0 CHADMP c1cc(-c2cccc(C[N@@H+]3CCCC4(C[NH2+]C4)C3)c2)cs1 ZINC001235710882 1130772159 /nfs/dbraw/zinc/77/21/59/1130772159.db2.gz JQTGPQDFSFSBFZ-UHFFFAOYSA-N 2 1 298.455 3.601 20 0 CHADMP c1cc(-c2cccc(C[N@H+]3CCCC4(C[NH2+]C4)C3)c2)cs1 ZINC001235710882 1130772163 /nfs/dbraw/zinc/77/21/63/1130772163.db2.gz JQTGPQDFSFSBFZ-UHFFFAOYSA-N 2 1 298.455 3.601 20 0 CHADMP CC(C)c1ccccc1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235716738 1130772246 /nfs/dbraw/zinc/77/22/46/1130772246.db2.gz IRHUCAMBTFGIIW-UHFFFAOYSA-N 2 1 274.452 3.632 20 0 CHADMP CCCCc1ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)cc1 ZINC001235717464 1130772431 /nfs/dbraw/zinc/77/24/31/1130772431.db2.gz VOBXTEAZZFSSTF-UHFFFAOYSA-N 2 1 288.479 3.851 20 0 CHADMP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1cccc2c3ccccc3sc21 ZINC001235725656 1130772866 /nfs/dbraw/zinc/77/28/66/1130772866.db2.gz TYINCWODUAZNPP-AWEZNQCLSA-N 2 1 296.439 3.978 20 0 CHADMP [NH3+]C[C@@H]1CCC[N@H+]1Cc1cccc2c3ccccc3sc21 ZINC001235725656 1130772872 /nfs/dbraw/zinc/77/28/72/1130772872.db2.gz TYINCWODUAZNPP-AWEZNQCLSA-N 2 1 296.439 3.978 20 0 CHADMP CC(C)=CCCC1=CC[C@@H](C[N@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC001235751232 1130776611 /nfs/dbraw/zinc/77/66/11/1130776611.db2.gz XHZLKCGVLVOYFH-QZTJIDSGSA-N 2 1 276.468 3.740 20 0 CHADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(/C=C/c3ccccc3)cc2)C1 ZINC001235749054 1130776685 /nfs/dbraw/zinc/77/66/85/1130776685.db2.gz GDWYNXJGVQNXJA-YJJPMGAVSA-N 2 1 292.426 3.638 20 0 CHADMP C[NH2+]C1CC[NH+](Cc2ccc(-c3ccc(C)cc3)cc2)CC1 ZINC001235788547 1130778077 /nfs/dbraw/zinc/77/80/77/1130778077.db2.gz IHMOZCANLLCMLH-UHFFFAOYSA-N 2 1 294.442 3.846 20 0 CHADMP C[N@@H+](CCCCC[NH3+])Cc1cccc(Cl)c1Cl ZINC001235790686 1130781011 /nfs/dbraw/zinc/78/10/11/1130781011.db2.gz KRNJKWWHSLFBDI-UHFFFAOYSA-N 2 1 275.223 3.554 20 0 CHADMP Clc1ccccc1[C@H]1CC[N@@H+](CC[C@@H]2CCCC[NH2+]2)C1 ZINC001235824987 1130783846 /nfs/dbraw/zinc/78/38/46/1130783846.db2.gz FASMPQOKJBDXEY-GJZGRUSLSA-N 2 1 292.854 3.662 20 0 CHADMP CCCCCCc1ccc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)s1 ZINC001235840289 1130787708 /nfs/dbraw/zinc/78/77/08/1130787708.db2.gz HZRCJDNIYOZKPS-HNNXBMFYSA-N 2 1 294.508 3.912 20 0 CHADMP Cc1ccc(CC[N@@H+](C)CCC[NH2+]C2CCCCC2)cc1 ZINC001235840640 1130787899 /nfs/dbraw/zinc/78/78/99/1130787899.db2.gz RKLHSDOAJHRTKJ-UHFFFAOYSA-N 2 1 288.479 3.782 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3C[C@@H]([NH3+])CC[C@H]3C)cc2)c1 ZINC001235902469 1130800607 /nfs/dbraw/zinc/80/06/07/1130800607.db2.gz GRVFMOQYQGTBKJ-UZLBHIALSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1cccc(-c2ccc(C[N@@H+]3C[C@@H]([NH3+])CC[C@H]3C)cc2)c1 ZINC001235902469 1130800614 /nfs/dbraw/zinc/80/06/14/1130800614.db2.gz GRVFMOQYQGTBKJ-UZLBHIALSA-N 2 1 294.442 3.974 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000783223236 1130802676 /nfs/dbraw/zinc/80/26/76/1130802676.db2.gz MMKVQCXCYGTSSA-GJYPPUQNSA-N 2 1 286.463 3.949 20 0 CHADMP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001235907971 1130803681 /nfs/dbraw/zinc/80/36/81/1130803681.db2.gz VRKXCWGMSKFAQU-KBXCAEBGSA-N 2 1 298.405 3.804 20 0 CHADMP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001235907971 1130803687 /nfs/dbraw/zinc/80/36/87/1130803687.db2.gz VRKXCWGMSKFAQU-KBXCAEBGSA-N 2 1 298.405 3.804 20 0 CHADMP C[C@H]1CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000783243335 1130806336 /nfs/dbraw/zinc/80/63/36/1130806336.db2.gz MBCLUMIMOZUGDJ-HNAYVOBHSA-N 2 1 298.430 3.800 20 0 CHADMP CC(C)[N@H+](CC[NH3+])Cc1cccc2c3ccccc3oc21 ZINC001235948440 1130812885 /nfs/dbraw/zinc/81/28/85/1130812885.db2.gz WANUPJRMJNZYOX-UHFFFAOYSA-N 2 1 282.387 3.755 20 0 CHADMP CC(C)[N@@H+](CC[NH3+])Cc1cccc2c3ccccc3oc21 ZINC001235948440 1130812887 /nfs/dbraw/zinc/81/28/87/1130812887.db2.gz WANUPJRMJNZYOX-UHFFFAOYSA-N 2 1 282.387 3.755 20 0 CHADMP C[C@H](C[N@@H+](C)C[C@@H]1CCC[NH2+]C1)c1cccc2ccccc21 ZINC001235952001 1130815709 /nfs/dbraw/zinc/81/57/09/1130815709.db2.gz WTCGRUOPISKWTD-IAGOWNOFSA-N 2 1 296.458 3.875 20 0 CHADMP CC(C)c1cc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)ccc1Cl ZINC001235957462 1130816757 /nfs/dbraw/zinc/81/67/57/1130816757.db2.gz OYDJSGNWKUOWQS-HNNXBMFYSA-N 2 1 294.870 3.895 20 0 CHADMP CC[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235960107 1130817413 /nfs/dbraw/zinc/81/74/13/1130817413.db2.gz ODMDAPWRYYAZPY-FQEVSTJZSA-N 2 1 294.442 3.915 20 0 CHADMP C[N@@H+](CCCC[NH3+])Cc1ccccc1Oc1ccccc1 ZINC001235968162 1130821185 /nfs/dbraw/zinc/82/11/85/1130821185.db2.gz FBSFHQJHVSBBCT-UHFFFAOYSA-N 2 1 284.403 3.650 20 0 CHADMP c1c(C[N@@H+](Cc2ccccc2)C2CC2)sc2c1CC[NH2+]C2 ZINC001235993809 1130824914 /nfs/dbraw/zinc/82/49/14/1130824914.db2.gz QXJZZUFRZJJVMP-UHFFFAOYSA-N 2 1 298.455 3.558 20 0 CHADMP CC[C@H]1c2ccccc2CC[N@@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001236059810 1130843340 /nfs/dbraw/zinc/84/33/40/1130843340.db2.gz MEAANOKKWMEFQO-IBGZPJMESA-N 2 1 298.474 3.776 20 0 CHADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(F)c(-c3ccccc3)c2)C1 ZINC001236066095 1130845945 /nfs/dbraw/zinc/84/59/45/1130845945.db2.gz DYTQYXGXIMVLFS-MRXNPFEDSA-N 2 1 298.405 3.534 20 0 CHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3ccccc3)c2)C1 ZINC001236066095 1130845952 /nfs/dbraw/zinc/84/59/52/1130845952.db2.gz DYTQYXGXIMVLFS-MRXNPFEDSA-N 2 1 298.405 3.534 20 0 CHADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](C)Cc2ccc(C(C)C)cc2)C1 ZINC001236066774 1130846145 /nfs/dbraw/zinc/84/61/45/1130846145.db2.gz JMNBMUGIUVKIIC-AEFFLSMTSA-N 2 1 288.479 3.530 20 0 CHADMP C[C@H]1C[N@H+](Cc2ccc(-c3cccs3)cc2)CCC[NH2+]1 ZINC001236094695 1130858347 /nfs/dbraw/zinc/85/83/47/1130858347.db2.gz HTSVBWULMNIXPY-AWEZNQCLSA-N 2 1 286.444 3.599 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccc(-c3cccs3)cc2)CCC[NH2+]1 ZINC001236094695 1130858352 /nfs/dbraw/zinc/85/83/52/1130858352.db2.gz HTSVBWULMNIXPY-AWEZNQCLSA-N 2 1 286.444 3.599 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2-c2ccccc2)CCC[NH2+]1 ZINC001236095590 1130859860 /nfs/dbraw/zinc/85/98/60/1130859860.db2.gz WYRZIEQVJRASBD-INIZCTEOSA-N 2 1 280.415 3.537 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+](C)CCCC[NH3+])cc2)cc1 ZINC001236141599 1130874623 /nfs/dbraw/zinc/87/46/23/1130874623.db2.gz LCLQYJCDXPKSRN-UHFFFAOYSA-N 2 1 282.431 3.833 20 0 CHADMP CCC[N@@H+](Cc1ccc(CC(C)C)cc1)C1CC[NH2+]CC1 ZINC001236182548 1130881171 /nfs/dbraw/zinc/88/11/71/1130881171.db2.gz QYEYNUQTOMNHEO-UHFFFAOYSA-N 2 1 288.479 3.849 20 0 CHADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2c2c[nH]c3ccccc23)C1 ZINC001236193513 1130884494 /nfs/dbraw/zinc/88/44/94/1130884494.db2.gz RZFLDZYEBYWALS-DNVCBOLYSA-N 2 1 297.446 3.647 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2c2c[nH]c3ccccc23)C1 ZINC001236193513 1130884499 /nfs/dbraw/zinc/88/44/99/1130884499.db2.gz RZFLDZYEBYWALS-DNVCBOLYSA-N 2 1 297.446 3.647 20 0 CHADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2c[nH]c3ccccc23)C1 ZINC001236193513 1130884503 /nfs/dbraw/zinc/88/45/03/1130884503.db2.gz RZFLDZYEBYWALS-DNVCBOLYSA-N 2 1 297.446 3.647 20 0 CHADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2c[nH]c3ccccc23)C1 ZINC001236193513 1130884506 /nfs/dbraw/zinc/88/45/06/1130884506.db2.gz RZFLDZYEBYWALS-DNVCBOLYSA-N 2 1 297.446 3.647 20 0 CHADMP C[N@H+](Cc1cc2ccccc2s1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236211924 1130888001 /nfs/dbraw/zinc/88/80/01/1130888001.db2.gz JXTOQNHLQTUNJN-LSDHHAIUSA-N 2 1 274.433 3.603 20 0 CHADMP C[N@@H+](Cc1cc2ccccc2s1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236211924 1130888008 /nfs/dbraw/zinc/88/80/08/1130888008.db2.gz JXTOQNHLQTUNJN-LSDHHAIUSA-N 2 1 274.433 3.603 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+](C)[C@@H]3CCCC[C@H]3[NH3+])cc2)o1 ZINC001236215689 1130889194 /nfs/dbraw/zinc/88/91/94/1130889194.db2.gz ICRFLURISMGZJU-QZTJIDSGSA-N 2 1 298.430 3.957 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+](C)[C@@H]3CCCC[C@H]3[NH3+])cc2)o1 ZINC001236215689 1130889200 /nfs/dbraw/zinc/88/92/00/1130889200.db2.gz ICRFLURISMGZJU-QZTJIDSGSA-N 2 1 298.430 3.957 20 0 CHADMP C[N@H+](Cc1cccc(C(C)(C)C)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236213883 1130889823 /nfs/dbraw/zinc/88/98/23/1130889823.db2.gz CEIYSXNWISSYGE-IRXDYDNUSA-N 2 1 274.452 3.686 20 0 CHADMP C[N@@H+](Cc1cccc(C(C)(C)C)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236213883 1130889829 /nfs/dbraw/zinc/88/98/29/1130889829.db2.gz CEIYSXNWISSYGE-IRXDYDNUSA-N 2 1 274.452 3.686 20 0 CHADMP COc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c2ccccc12 ZINC001236215835 1130892071 /nfs/dbraw/zinc/89/20/71/1130892071.db2.gz YGWMCPAVWVIYPV-ZWKOTPCHSA-N 2 1 298.430 3.550 20 0 CHADMP C[N@@H+](Cc1ccc(F)c2ccccc12)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236220632 1130892826 /nfs/dbraw/zinc/89/28/26/1130892826.db2.gz ZCCSGZBJBALBQD-QZTJIDSGSA-N 2 1 286.394 3.681 20 0 CHADMP C[N@@H+](CCCCCc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236221366 1130895710 /nfs/dbraw/zinc/89/57/10/1130895710.db2.gz DRQBXNINHNYEBP-IYARVYRRSA-N 2 1 274.452 3.601 20 0 CHADMP CCCCc1ccc(C[N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236224638 1130897838 /nfs/dbraw/zinc/89/78/38/1130897838.db2.gz UHNJDBIVPJUUAS-IYARVYRRSA-N 2 1 274.452 3.731 20 0 CHADMP Cc1ccc([C@@H]2CCCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc1C ZINC001236243117 1130903206 /nfs/dbraw/zinc/90/32/06/1130903206.db2.gz CGTXDAFDVSUSPV-HKUYNNGSSA-N 2 1 286.463 3.830 20 0 CHADMP Fc1ccccc1C[N@@H+](CC1CCCC1)C1CC[NH2+]CC1 ZINC001236366543 1130920612 /nfs/dbraw/zinc/92/06/12/1130920612.db2.gz DNKKGXSXWLPOLO-UHFFFAOYSA-N 2 1 290.426 3.570 20 0 CHADMP Fc1cccc(C[N@@H+](CC2CCCC2)C2CC[NH2+]CC2)c1 ZINC001236401286 1130928613 /nfs/dbraw/zinc/92/86/13/1130928613.db2.gz NRQJNVTWIXXSTM-UHFFFAOYSA-N 2 1 290.426 3.570 20 0 CHADMP CC[N@H+](Cc1c(C)sc2ccccc21)C[C@@H]1CC[NH2+]C1 ZINC001236410326 1130931295 /nfs/dbraw/zinc/93/12/95/1130931295.db2.gz YTZUUCWGUWVGPY-CQSZACIVSA-N 2 1 288.460 3.641 20 0 CHADMP CC[N@H+](Cc1ccc(C)c2ccccc12)C[C@@H]1CC[NH2+]C1 ZINC001236408008 1130931681 /nfs/dbraw/zinc/93/16/81/1130931681.db2.gz JIZUAIYUVRSVBN-MRXNPFEDSA-N 2 1 282.431 3.580 20 0 CHADMP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001236421141 1130935500 /nfs/dbraw/zinc/93/55/00/1130935500.db2.gz PYGRJNVZVGFDLR-IFXJQAMLSA-N 2 1 298.405 3.804 20 0 CHADMP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001236421141 1130935497 /nfs/dbraw/zinc/93/54/97/1130935497.db2.gz PYGRJNVZVGFDLR-IFXJQAMLSA-N 2 1 298.405 3.804 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CCC[C@H]([NH3+])[C@H]3C)cc2)cc1 ZINC001236421407 1130935646 /nfs/dbraw/zinc/93/56/46/1130935646.db2.gz QUXVOQTZIRCCCN-UZLBHIALSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@H]([NH3+])[C@H]3C)cc2)cc1 ZINC001236421407 1130935650 /nfs/dbraw/zinc/93/56/50/1130935650.db2.gz QUXVOQTZIRCCCN-UZLBHIALSA-N 2 1 294.442 3.974 20 0 CHADMP [NH3+]Cc1ccc(C[N@@H+](Cc2ccccc2)C2CCC2)cc1 ZINC001236443326 1130942523 /nfs/dbraw/zinc/94/25/23/1130942523.db2.gz TVSLOJGTHNDXQA-UHFFFAOYSA-N 2 1 280.415 3.700 20 0 CHADMP Cc1cc(C)cc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236458005 1130946239 /nfs/dbraw/zinc/94/62/39/1130946239.db2.gz PGEQNYSQUBIGNM-UHFFFAOYSA-N 2 1 288.479 3.904 20 0 CHADMP CC(C)CCC[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236456290 1130946295 /nfs/dbraw/zinc/94/62/95/1130946295.db2.gz AYJFKXXUTGCRHD-UHFFFAOYSA-N 2 1 254.462 3.523 20 0 CHADMP CC(C)c1ccccc1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236468410 1130949181 /nfs/dbraw/zinc/94/91/81/1130949181.db2.gz MPVMSDJEQVSIDG-QGZVFWFLSA-N 2 1 274.452 3.772 20 0 CHADMP CC(C)c1ccccc1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236468410 1130949183 /nfs/dbraw/zinc/94/91/83/1130949183.db2.gz MPVMSDJEQVSIDG-QGZVFWFLSA-N 2 1 274.452 3.772 20 0 CHADMP CC(C)c1cccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236470424 1130949235 /nfs/dbraw/zinc/94/92/35/1130949235.db2.gz GRVAAMKPOXRFQP-GOSISDBHSA-N 2 1 274.452 3.772 20 0 CHADMP CC(C)c1cccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236470424 1130949238 /nfs/dbraw/zinc/94/92/38/1130949238.db2.gz GRVAAMKPOXRFQP-GOSISDBHSA-N 2 1 274.452 3.772 20 0 CHADMP CC[C@@H](C)C[N@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC001236503429 1130958686 /nfs/dbraw/zinc/95/86/86/1130958686.db2.gz CARMQUCCEHIMPR-CYBMUJFWSA-N 2 1 296.405 3.565 20 0 CHADMP CC[C@@H](C)C[N@@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC001236503429 1130958691 /nfs/dbraw/zinc/95/86/91/1130958691.db2.gz CARMQUCCEHIMPR-CYBMUJFWSA-N 2 1 296.405 3.565 20 0 CHADMP Cc1cc(F)cc(C[N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236550341 1130972975 /nfs/dbraw/zinc/97/29/75/1130972975.db2.gz DMHDOQRALPGNPB-IYARVYRRSA-N 2 1 292.442 3.862 20 0 CHADMP Cc1ccc([C@@H](C)CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)o1 ZINC001236584503 1130980635 /nfs/dbraw/zinc/98/06/35/1130980635.db2.gz FUJBVSVJJZDDLJ-GOEBONIOSA-N 2 1 290.451 3.546 20 0 CHADMP CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)CCCC[NH3+] ZINC001236662138 1130990550 /nfs/dbraw/zinc/99/05/50/1130990550.db2.gz IUELRMJGRYVLGK-SFHVURJKSA-N 2 1 276.468 3.849 20 0 CHADMP Cc1ccc(C[N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)o1 ZINC001236681890 1130992987 /nfs/dbraw/zinc/99/29/87/1130992987.db2.gz LDOCEOLMZIBMCT-IYARVYRRSA-N 2 1 298.430 3.860 20 0 CHADMP CCCCC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236681057 1130993131 /nfs/dbraw/zinc/99/31/31/1130993131.db2.gz AHLBDKLFNNFURU-IYARVYRRSA-N 2 1 274.452 3.949 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2C)C1 ZINC000815563418 1131000564 /nfs/dbraw/zinc/00/05/64/1131000564.db2.gz BPPDBWAVIVIHKS-GJZGRUSLSA-N 2 1 278.415 3.517 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(F)cc1C ZINC000815583643 1131003410 /nfs/dbraw/zinc/00/34/10/1131003410.db2.gz KWOXEIAQTMLYBI-CQSZACIVSA-N 2 1 289.398 3.770 20 0 CHADMP CCC(CC)[N@@H+](Cc1[nH]c(C)cc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782067 1131005694 /nfs/dbraw/zinc/00/56/94/1131005694.db2.gz LIHIXRPUURBHPQ-JCNLHEQBSA-N 2 1 291.483 3.892 20 0 CHADMP CCC(CC)[N@@H+](Cc1ccc(C)o1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782319 1131005811 /nfs/dbraw/zinc/00/58/11/1131005811.db2.gz ISAGWXRRIGRKOX-KOMQPUFPSA-N 2 1 278.440 3.849 20 0 CHADMP CCC[N@@H+](CCCC1CCCCC1)C[C@H]1CC[NH2+]C1 ZINC001236827777 1131016310 /nfs/dbraw/zinc/01/63/10/1131016310.db2.gz GPOUNGWACPEDBY-KRWDZBQOSA-N 2 1 266.473 3.668 20 0 CHADMP CCC[N@@H+](CC[C@@H]1CC=C(C)C1(C)C)C[C@H]1CC[NH2+]C1 ZINC001236829001 1131016960 /nfs/dbraw/zinc/01/69/60/1131016960.db2.gz JUDFYBCDGFVQDF-IRXDYDNUSA-N 2 1 278.484 3.690 20 0 CHADMP CCCCc1ccc(C[N@@H+](CCC)C[C@@H]2CC[NH2+]C2)cc1 ZINC001236842662 1131020354 /nfs/dbraw/zinc/02/03/54/1131020354.db2.gz GYPCEQJASZRPRL-LJQANCHMSA-N 2 1 288.479 3.851 20 0 CHADMP CCC[N@H+](Cc1ccc(C)c(Cl)c1C)C[C@H]1CC[NH2+]C1 ZINC001236843327 1131021116 /nfs/dbraw/zinc/02/11/16/1131021116.db2.gz HNWPLSXHFZKYOM-HNNXBMFYSA-N 2 1 294.870 3.778 20 0 CHADMP CCC[N@H+](Cc1ccc2ccsc2c1)C[C@@H]1CC[NH2+]C1 ZINC001236842344 1131021994 /nfs/dbraw/zinc/02/19/94/1131021994.db2.gz FHGFNUCHDNNFPJ-OAHLLOKOSA-N 2 1 288.460 3.723 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)s1 ZINC001237056162 1131042332 /nfs/dbraw/zinc/04/23/32/1131042332.db2.gz HCWBTOPJLBILGS-INIZCTEOSA-N 2 1 280.481 3.652 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237055102 1131044145 /nfs/dbraw/zinc/04/41/45/1131044145.db2.gz ADQCDIQNOXYJGV-KRWDZBQOSA-N 2 1 288.460 3.771 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237081317 1131047944 /nfs/dbraw/zinc/04/79/44/1131047944.db2.gz KROOIMJXCNAWSN-MRXNPFEDSA-N 2 1 280.843 3.518 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C2CCC2)cc1 ZINC001237108084 1131051448 /nfs/dbraw/zinc/05/14/48/1131051448.db2.gz QBFXFVZBCPWXSL-UHFFFAOYSA-N 2 1 274.452 3.728 20 0 CHADMP C/C(=C\c1ccccc1)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798957450 1131065539 /nfs/dbraw/zinc/06/55/39/1131065539.db2.gz XMNLQRNXKOOBHE-OBGWFSINSA-N 2 1 298.474 3.898 20 0 CHADMP Fc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c2ccccc12 ZINC001237392043 1131093796 /nfs/dbraw/zinc/09/37/96/1131093796.db2.gz MGGOKOADIDBPDQ-DNVCBOLYSA-N 2 1 298.405 3.553 20 0 CHADMP CC(C)c1cccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC001237463453 1131102717 /nfs/dbraw/zinc/10/27/17/1131102717.db2.gz RBTXRIMDUGBCMW-UHFFFAOYSA-N 2 1 286.463 3.728 20 0 CHADMP C[N@H+](Cc1cccc2c(F)cccc12)C1CC[NH+](C)CC1 ZINC001237523273 1131109874 /nfs/dbraw/zinc/10/98/74/1131109874.db2.gz UYMPJPAHBCHPQF-UHFFFAOYSA-N 2 1 286.394 3.505 20 0 CHADMP C[N@@H+](Cc1cccc2c(F)cccc12)C1CC[NH+](C)CC1 ZINC001237523273 1131109875 /nfs/dbraw/zinc/10/98/75/1131109875.db2.gz UYMPJPAHBCHPQF-UHFFFAOYSA-N 2 1 286.394 3.505 20 0 CHADMP CC[N@@H+](Cc1cc(C)cc(C)c1Cl)C1CCN(C)CC1 ZINC001237704956 1131131632 /nfs/dbraw/zinc/13/16/32/1131131632.db2.gz WCLXWBCLTZSRMF-UHFFFAOYSA-N 2 1 294.870 3.873 20 0 CHADMP CCc1cc(C[N@H+](CC)CCC[NH+](C)C)ccc1Cl ZINC001237742809 1131137951 /nfs/dbraw/zinc/13/79/51/1131137951.db2.gz WMISECNFVCJRKI-UHFFFAOYSA-N 2 1 282.859 3.676 20 0 CHADMP CCc1cc(C[N@@H+](CC)CCC[NH+](C)C)ccc1Cl ZINC001237742809 1131137954 /nfs/dbraw/zinc/13/79/54/1131137954.db2.gz WMISECNFVCJRKI-UHFFFAOYSA-N 2 1 282.859 3.676 20 0 CHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+](C)C(C)C)cc21 ZINC001237881798 1131148564 /nfs/dbraw/zinc/14/85/64/1131148564.db2.gz VJIULLDOAGWNII-UHFFFAOYSA-N 2 1 258.409 3.528 20 0 CHADMP CCC[N@@H+](C)Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237881513 1131148926 /nfs/dbraw/zinc/14/89/26/1131148926.db2.gz UXVYNNQTTHVETQ-UHFFFAOYSA-N 2 1 258.409 3.530 20 0 CHADMP Cc1ccc(C2CC([NH2+][C@H]3CCCC[C@@H]3[NH+](C)C)C2)cc1 ZINC001116535936 1131153493 /nfs/dbraw/zinc/15/34/93/1131153493.db2.gz UCSNPLGZZZMMRR-BTRQGYIVSA-N 2 1 286.463 3.703 20 0 CHADMP Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1cccc2c[nH+]cn21 ZINC001238106580 1131172496 /nfs/dbraw/zinc/17/24/96/1131172496.db2.gz KXSQEAWSFHRDTJ-LJQANCHMSA-N 2 1 291.398 3.980 20 0 CHADMP Cc1ccccc1[C@H]1CCC[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238106580 1131172499 /nfs/dbraw/zinc/17/24/99/1131172499.db2.gz KXSQEAWSFHRDTJ-LJQANCHMSA-N 2 1 291.398 3.980 20 0 CHADMP CCCCCC(C)(C)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000817897849 1131187024 /nfs/dbraw/zinc/18/70/24/1131187024.db2.gz CFRDGOXOXWRYEU-ZDUSSCGKSA-N 2 1 263.429 3.751 20 0 CHADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccccc1SC(C)(C)C ZINC000817964510 1131192855 /nfs/dbraw/zinc/19/28/55/1131192855.db2.gz BBJUXWUFTFIKEH-WFASDCNBSA-N 2 1 292.492 3.965 20 0 CHADMP CC[N@H+](CCC[NH+](C)C)Cc1cc(OC(C)C)ccc1C ZINC001238478928 1131207305 /nfs/dbraw/zinc/20/73/05/1131207305.db2.gz CGUIWJUSUKGCBR-UHFFFAOYSA-N 2 1 292.467 3.556 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc(OC(C)C)ccc1C ZINC001238478928 1131207308 /nfs/dbraw/zinc/20/73/08/1131207308.db2.gz CGUIWJUSUKGCBR-UHFFFAOYSA-N 2 1 292.467 3.556 20 0 CHADMP CCCCCC[C@@H](CCC)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC001246235598 1131423038 /nfs/dbraw/zinc/42/30/38/1131423038.db2.gz ZEFBFVDWKWKVQF-HUUCEWRRSA-N 2 1 290.442 3.960 20 0 CHADMP C(C[N@H+]1CCCC[C@]12CCC[NH2+]C2)C1CCCCC1 ZINC000257703050 1131449495 /nfs/dbraw/zinc/44/94/95/1131449495.db2.gz LRSHSBAEWHLKIJ-QGZVFWFLSA-N 2 1 264.457 3.565 20 0 CHADMP CCC1CC[NH+](Cc2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC001138544463 1131518793 /nfs/dbraw/zinc/51/87/93/1131518793.db2.gz JEKAQVDUDBVBCD-UHFFFAOYSA-N 2 1 283.419 3.803 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC001138548292 1131519939 /nfs/dbraw/zinc/51/99/39/1131519939.db2.gz DGPLMZHBWDZYSO-IEBWSBKVSA-N 2 1 295.430 3.945 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC001138548292 1131519943 /nfs/dbraw/zinc/51/99/43/1131519943.db2.gz DGPLMZHBWDZYSO-IEBWSBKVSA-N 2 1 295.430 3.945 20 0 CHADMP Cc1cccc2[nH]cc(C[NH+]3CCC([N@H+](C)C4CC4)CC3)c21 ZINC001139198952 1131595243 /nfs/dbraw/zinc/59/52/43/1131595243.db2.gz KYONJHWYDZCVRA-UHFFFAOYSA-N 2 1 297.446 3.535 20 0 CHADMP Cc1cccc2[nH]cc(C[NH+]3CCC([N@@H+](C)C4CC4)CC3)c21 ZINC001139198952 1131595245 /nfs/dbraw/zinc/59/52/45/1131595245.db2.gz KYONJHWYDZCVRA-UHFFFAOYSA-N 2 1 297.446 3.535 20 0 CHADMP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246553936 1131613000 /nfs/dbraw/zinc/61/30/00/1131613000.db2.gz UCDUDICSMUQOEV-MLGOLLRUSA-N 2 1 298.833 3.613 20 0 CHADMP CCCC[C@H](CC(C)C)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246555811 1131617324 /nfs/dbraw/zinc/61/73/24/1131617324.db2.gz HUJUTRVSUNMIPV-UONOGXRCSA-N 2 1 276.415 3.507 20 0 CHADMP C[C@@H]1CCCC[N@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246557873 1131620660 /nfs/dbraw/zinc/62/06/60/1131620660.db2.gz LQLASSOJHNABMA-CVEARBPZSA-N 2 1 264.457 3.563 20 0 CHADMP CCCC[C@@H](CC(C)C)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246564535 1131625396 /nfs/dbraw/zinc/62/53/96/1131625396.db2.gz ZBHFRPQQOGUMNA-JKSUJKDBSA-N 2 1 272.452 3.744 20 0 CHADMP CCCC[C@H](CC(C)C)[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246564648 1131625866 /nfs/dbraw/zinc/62/58/66/1131625866.db2.gz YCZOOLDMLAWQKF-YESZJQIVSA-N 2 1 268.489 3.898 20 0 CHADMP Cc1nccn1-c1ccccc1C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC001140022468 1131656918 /nfs/dbraw/zinc/65/69/18/1131656918.db2.gz GTDPMCOXQLARBU-GASCZTMLSA-N 2 1 283.419 3.944 20 0 CHADMP CC[C@@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000845925838 1131670789 /nfs/dbraw/zinc/67/07/89/1131670789.db2.gz ASZBJIZKGGGNCO-WMZOPIPTSA-N 2 1 298.434 3.634 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCCC[C@@H]2C)cn1 ZINC000845927557 1131670843 /nfs/dbraw/zinc/67/08/43/1131670843.db2.gz JXTQXXQFJAVNTI-YOEHRIQHSA-N 2 1 298.434 3.634 20 0 CHADMP CCC(C)(C)C1CCC([N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CC1 ZINC001246584193 1131688642 /nfs/dbraw/zinc/68/86/42/1131688642.db2.gz ICIYRPDXBWEPBS-FJBKBRRZSA-N 2 1 284.463 3.743 20 0 CHADMP CCC(C)(C)C1CCC([N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CC1 ZINC001246584193 1131688644 /nfs/dbraw/zinc/68/86/44/1131688644.db2.gz ICIYRPDXBWEPBS-FJBKBRRZSA-N 2 1 284.463 3.743 20 0 CHADMP [NH3+]C[C@@H]1CCCC[N@H+](C2CCC3(CCCCC3)CC2)C1 ZINC001246583824 1131690486 /nfs/dbraw/zinc/69/04/86/1131690486.db2.gz SDKJOPYMAXMYER-INIZCTEOSA-N 2 1 278.484 3.940 20 0 CHADMP CC(C)=CCC[C@H](C)[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246587199 1131698337 /nfs/dbraw/zinc/69/83/37/1131698337.db2.gz VVYINIGLBMKZKG-JKSUJKDBSA-N 2 1 252.446 3.572 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@H+]2CCCCCC[NH3+])cc1 ZINC000846218431 1131700636 /nfs/dbraw/zinc/70/06/36/1131700636.db2.gz URUXOOLXNLYUME-KRWDZBQOSA-N 2 1 260.425 3.651 20 0 CHADMP CCCCCC[C@H](C)[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246588003 1131701482 /nfs/dbraw/zinc/70/14/82/1131701482.db2.gz XLMBUZHIQZBDBR-JKSUJKDBSA-N 2 1 254.462 3.796 20 0 CHADMP C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCCCCC[NH3+] ZINC000846219370 1131701686 /nfs/dbraw/zinc/70/16/86/1131701686.db2.gz PLLUACVVGIONBQ-HOCLYGCPSA-N 2 1 278.415 3.523 20 0 CHADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CCCCCC[NH3+])C1 ZINC000846219639 1131701991 /nfs/dbraw/zinc/70/19/91/1131701991.db2.gz UMLDXXPUGSOTLH-DLBZAZTESA-N 2 1 274.452 3.692 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001246594374 1131709224 /nfs/dbraw/zinc/70/92/24/1131709224.db2.gz VMYXGTXNUGELRM-YHUYYLMFSA-N 2 1 254.462 3.651 20 0 CHADMP CC(C)CCC[C@@H](C)[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001246606008 1131715710 /nfs/dbraw/zinc/71/57/10/1131715710.db2.gz LPTLUFPIFSMWPO-SJORKVTESA-N 2 1 266.473 3.809 20 0 CHADMP CC[C@@H]1C[C@@H]([N@H+]2CCC23CCCCC3)C[C@H](CC)[NH2+]1 ZINC001246611343 1131717591 /nfs/dbraw/zinc/71/75/91/1131717591.db2.gz FZEAQNDUAFACOC-MUJYYYPQSA-N 2 1 264.457 3.704 20 0 CHADMP C1CC2(CCCCC2)[N@H+]1[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246617797 1131719660 /nfs/dbraw/zinc/71/96/60/1131719660.db2.gz ZIAGGFCIKKAOTD-MRXNPFEDSA-N 2 1 276.468 3.850 20 0 CHADMP CCCCC(CCCC)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001246616137 1131719768 /nfs/dbraw/zinc/71/97/68/1131719768.db2.gz YJPYBXKDCWQESA-INIZCTEOSA-N 2 1 252.446 3.563 20 0 CHADMP CCCCCC[C@H](CCC)[N@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001246633689 1131739425 /nfs/dbraw/zinc/73/94/25/1131739425.db2.gz FFCSFQMYCFFPGZ-HOTGVXAUSA-N 2 1 252.446 3.563 20 0 CHADMP CCCCC[C@@H](CC)[N@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001246641084 1131760030 /nfs/dbraw/zinc/76/00/30/1131760030.db2.gz VZRQJDNIDJTGDV-CABCVRRESA-N 2 1 288.426 3.666 20 0 CHADMP CCCC1CCC([N@H+]2CCCC[C@@]23CC[NH2+]C3)CC1 ZINC001246642673 1131763339 /nfs/dbraw/zinc/76/33/39/1131763339.db2.gz IVTDJWSGYOLWLL-JCYILVPMSA-N 2 1 264.457 3.563 20 0 CHADMP CC(C)CC[C@H](C)[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001246646244 1131772043 /nfs/dbraw/zinc/77/20/43/1131772043.db2.gz PHLHWXQKKWOVAJ-DOTOQJQBSA-N 2 1 266.473 3.665 20 0 CHADMP CSC(C)(C)C[C@H](C)[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001246645640 1131772392 /nfs/dbraw/zinc/77/23/92/1131772392.db2.gz NWGGORIITZGXMG-GOEBONIOSA-N 2 1 298.540 3.761 20 0 CHADMP CCCC[C@@H]1C[C@H]([N@@H+](C)CC2CCCCC2)CC[NH2+]1 ZINC001246843473 1131787863 /nfs/dbraw/zinc/78/78/63/1131787863.db2.gz CPGDQZZKGHKDLV-IAGOWNOFSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@@H]1CCC[C@@H]([N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)C1 ZINC001246934934 1131822979 /nfs/dbraw/zinc/82/29/79/1131822979.db2.gz DCFDWCAWWIZFLI-SOLBZPMBSA-N 2 1 278.484 3.809 20 0 CHADMP CC1CCC([N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)CC1 ZINC001246941206 1131826658 /nfs/dbraw/zinc/82/66/58/1131826658.db2.gz YDMLSKAYKFAXRB-UPTPFMHGSA-N 2 1 278.484 3.809 20 0 CHADMP CCSc1ccccc1C[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001228555654 1131909115 /nfs/dbraw/zinc/90/91/15/1131909115.db2.gz GUVPMFWRFFJHRH-UHFFFAOYSA-N 2 1 290.476 3.517 20 0 CHADMP CC[N@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1cccc(OC)c1 ZINC001140804692 1131928050 /nfs/dbraw/zinc/92/80/50/1131928050.db2.gz AEIZIQKYLWGMQQ-UHFFFAOYSA-N 2 1 295.386 3.594 20 0 CHADMP CC[N@@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1cccc(OC)c1 ZINC001140804692 1131928054 /nfs/dbraw/zinc/92/80/54/1131928054.db2.gz AEIZIQKYLWGMQQ-UHFFFAOYSA-N 2 1 295.386 3.594 20 0 CHADMP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)CC1CCCCC1 ZINC001140804854 1131930489 /nfs/dbraw/zinc/93/04/89/1131930489.db2.gz IESHRDRUBQHCAN-UHFFFAOYSA-N 2 1 257.381 3.575 20 0 CHADMP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)CC1CCCCC1 ZINC001140804854 1131930490 /nfs/dbraw/zinc/93/04/90/1131930490.db2.gz IESHRDRUBQHCAN-UHFFFAOYSA-N 2 1 257.381 3.575 20 0 CHADMP CC[N@@H+](CCn1ccnc1)Cc1cccc(C(C)(C)C)c1 ZINC001141106268 1132020376 /nfs/dbraw/zinc/02/03/76/1132020376.db2.gz VOOZPIBENBOCHJ-UHFFFAOYSA-N 2 1 285.435 3.703 20 0 CHADMP C[C@H]1CCCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171631731 1132064370 /nfs/dbraw/zinc/06/43/70/1132064370.db2.gz MNGDHOKUASAJIY-AWEZNQCLSA-N 2 1 266.473 3.760 20 0 CHADMP Cc1ccc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)cc1F ZINC001171619515 1132065985 /nfs/dbraw/zinc/06/59/85/1132065985.db2.gz NLJGDHMQGQFKFV-UHFFFAOYSA-N 2 1 292.442 3.875 20 0 CHADMP Cc1ccc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c(F)c1 ZINC001171622144 1132067019 /nfs/dbraw/zinc/06/70/19/1132067019.db2.gz VLNCRQHXIYNZLG-UHFFFAOYSA-N 2 1 292.442 3.875 20 0 CHADMP CC[N@@H+](C)C1CC[NH+]([C@@H](C)CCc2ccc(C)cc2)CC1 ZINC001171682821 1132078996 /nfs/dbraw/zinc/07/89/96/1132078996.db2.gz XDXMMCMZGLRYKO-KRWDZBQOSA-N 2 1 288.479 3.732 20 0 CHADMP C[C@H]1CC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172070354 1132121474 /nfs/dbraw/zinc/12/14/74/1132121474.db2.gz ZNTOODNQLPJTFK-GDAAHCPNSA-N 2 1 284.447 3.666 20 0 CHADMP C[C@H]1CC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172070354 1132121481 /nfs/dbraw/zinc/12/14/81/1132121481.db2.gz ZNTOODNQLPJTFK-GDAAHCPNSA-N 2 1 284.447 3.666 20 0 CHADMP C[C@H]1CC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172070354 1132121485 /nfs/dbraw/zinc/12/14/85/1132121485.db2.gz ZNTOODNQLPJTFK-GDAAHCPNSA-N 2 1 284.447 3.666 20 0 CHADMP C[C@H]1CC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172070354 1132121491 /nfs/dbraw/zinc/12/14/91/1132121491.db2.gz ZNTOODNQLPJTFK-GDAAHCPNSA-N 2 1 284.447 3.666 20 0 CHADMP CC1(C)C[C@@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077963 1132123996 /nfs/dbraw/zinc/12/39/96/1132123996.db2.gz VZTKABHBAJTKRA-RDGPPVDQSA-N 2 1 298.474 3.960 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(Cl)ccc1F)C2 ZINC001172100198 1132124477 /nfs/dbraw/zinc/12/44/77/1132124477.db2.gz AUKNGLIUDDNKKI-QDMKHBRRSA-N 2 1 296.817 3.584 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(Cl)ccc1F)C2 ZINC001172100198 1132124483 /nfs/dbraw/zinc/12/44/83/1132124483.db2.gz AUKNGLIUDDNKKI-QDMKHBRRSA-N 2 1 296.817 3.584 20 0 CHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2C[C@@H]4C[C@@H]4C2)C3)cc1 ZINC001172068561 1132124698 /nfs/dbraw/zinc/12/46/98/1132124698.db2.gz JWVWLKMBGLZGGQ-RZIOSVHNSA-N 2 1 296.458 3.524 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2C[C@@H]4C[C@@H]4C2)C3)cc1 ZINC001172068561 1132124700 /nfs/dbraw/zinc/12/47/00/1132124700.db2.gz JWVWLKMBGLZGGQ-RZIOSVHNSA-N 2 1 296.458 3.524 20 0 CHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2C[C@@H]4C[C@@H]4C2)C3)cc1 ZINC001172068561 1132124704 /nfs/dbraw/zinc/12/47/04/1132124704.db2.gz JWVWLKMBGLZGGQ-RZIOSVHNSA-N 2 1 296.458 3.524 20 0 CHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2C[C@@H]4C[C@@H]4C2)C3)cc1 ZINC001172068561 1132124720 /nfs/dbraw/zinc/12/47/20/1132124720.db2.gz JWVWLKMBGLZGGQ-RZIOSVHNSA-N 2 1 296.458 3.524 20 0 CHADMP Cc1ccc(C(C)(C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172106260 1132129302 /nfs/dbraw/zinc/12/93/02/1132129302.db2.gz OJVKQFDFDDCSKG-NNZMDNLPSA-N 2 1 286.463 3.835 20 0 CHADMP Cc1ccc(C(C)(C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172106260 1132129305 /nfs/dbraw/zinc/12/93/05/1132129305.db2.gz OJVKQFDFDDCSKG-NNZMDNLPSA-N 2 1 286.463 3.835 20 0 CHADMP C[C@@H]([NH3+])c1cn([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c2ccccc12 ZINC001172108766 1132129795 /nfs/dbraw/zinc/12/97/95/1132129795.db2.gz DWVBSAWCHLDRIP-WCVJEAGWSA-N 2 1 297.446 3.849 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCCCCCC1)C2 ZINC001172107478 1132130114 /nfs/dbraw/zinc/13/01/14/1132130114.db2.gz YDNMENWXWUYLAW-OSYLJGHBSA-N 2 1 264.457 3.704 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCCCCCC1)C2 ZINC001172107478 1132130117 /nfs/dbraw/zinc/13/01/17/1132130117.db2.gz YDNMENWXWUYLAW-OSYLJGHBSA-N 2 1 264.457 3.704 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@@H]3CCCC[C@@H]13)C2 ZINC001172105391 1132130183 /nfs/dbraw/zinc/13/01/83/1132130183.db2.gz IAHUSQCQCDGAKR-KCTOORRSSA-N 2 1 290.495 3.950 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@@H]3CCCC[C@@H]13)C2 ZINC001172105391 1132130185 /nfs/dbraw/zinc/13/01/85/1132130185.db2.gz IAHUSQCQCDGAKR-KCTOORRSSA-N 2 1 290.495 3.950 20 0 CHADMP Cc1ccc(Cl)cc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104009 1132130862 /nfs/dbraw/zinc/13/08/62/1132130862.db2.gz YQFXGNVSPLNNPV-OSYLJGHBSA-N 2 1 292.854 3.753 20 0 CHADMP CCC[C@@H]1CCCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120465 1132131679 /nfs/dbraw/zinc/13/16/79/1132131679.db2.gz FLQOOZCNAIPIEP-WCXIOVBPSA-N 2 1 264.457 3.656 20 0 CHADMP CCC[C@@H]1CCCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120465 1132131682 /nfs/dbraw/zinc/13/16/82/1132131682.db2.gz FLQOOZCNAIPIEP-WCXIOVBPSA-N 2 1 264.457 3.656 20 0 CHADMP CCC[C@@H]1CCCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172120465 1132131687 /nfs/dbraw/zinc/13/16/87/1132131687.db2.gz FLQOOZCNAIPIEP-WCXIOVBPSA-N 2 1 264.457 3.656 20 0 CHADMP CCC[C@@H]1CCCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172120465 1132131693 /nfs/dbraw/zinc/13/16/93/1132131693.db2.gz FLQOOZCNAIPIEP-WCXIOVBPSA-N 2 1 264.457 3.656 20 0 CHADMP C[C@H]1c2ccccc2CC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172112779 1132133053 /nfs/dbraw/zinc/13/30/53/1132133053.db2.gz FFEHOFPATCVAMV-DZJNRPSUSA-N 2 1 284.447 3.621 20 0 CHADMP C[C@H]1c2ccccc2CC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172112779 1132133057 /nfs/dbraw/zinc/13/30/57/1132133057.db2.gz FFEHOFPATCVAMV-DZJNRPSUSA-N 2 1 284.447 3.621 20 0 CHADMP C[C@H]1c2ccccc2CC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112779 1132133059 /nfs/dbraw/zinc/13/30/59/1132133059.db2.gz FFEHOFPATCVAMV-DZJNRPSUSA-N 2 1 284.447 3.621 20 0 CHADMP CC(C)C1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172117105 1132133101 /nfs/dbraw/zinc/13/31/01/1132133101.db2.gz KGXRDONUNBKXQG-GWDNYDDXSA-N 2 1 278.484 3.806 20 0 CHADMP CC(C)C1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172117105 1132133105 /nfs/dbraw/zinc/13/31/05/1132133105.db2.gz KGXRDONUNBKXQG-GWDNYDDXSA-N 2 1 278.484 3.806 20 0 CHADMP CC(C)C1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172117108 1132133398 /nfs/dbraw/zinc/13/33/98/1132133398.db2.gz KGXRDONUNBKXQG-NJZDOBRDSA-N 2 1 278.484 3.806 20 0 CHADMP CC(C)C1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172117108 1132133404 /nfs/dbraw/zinc/13/34/04/1132133404.db2.gz KGXRDONUNBKXQG-NJZDOBRDSA-N 2 1 278.484 3.806 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(C)o1 ZINC001172112418 1132133445 /nfs/dbraw/zinc/13/34/45/1132133445.db2.gz WDAWGHBRUBQGEU-LVQVYYBASA-N 2 1 276.424 3.644 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H]1CCCc3ccccc31)C2 ZINC001172111570 1132133549 /nfs/dbraw/zinc/13/35/49/1132133549.db2.gz VMFKOEZHUPYPTE-CADBVGFASA-N 2 1 298.474 3.711 20 0 CHADMP CC(C)[N@H+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172114082 1132133891 /nfs/dbraw/zinc/13/38/91/1132133891.db2.gz PCBWHFBMMWXGHO-BWTSREIZSA-N 2 1 286.463 3.912 20 0 CHADMP CC(C)[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172114082 1132133895 /nfs/dbraw/zinc/13/38/95/1132133895.db2.gz PCBWHFBMMWXGHO-BWTSREIZSA-N 2 1 286.463 3.912 20 0 CHADMP CC(C)[NH+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172114082 1132133898 /nfs/dbraw/zinc/13/38/98/1132133898.db2.gz PCBWHFBMMWXGHO-BWTSREIZSA-N 2 1 286.463 3.912 20 0 CHADMP CC(C)[NH+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172114082 1132133904 /nfs/dbraw/zinc/13/39/04/1132133904.db2.gz PCBWHFBMMWXGHO-BWTSREIZSA-N 2 1 286.463 3.912 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC[C@H]1c1cccnc1)C2 ZINC001172121223 1132135003 /nfs/dbraw/zinc/13/50/03/1132135003.db2.gz JIQCXTVASGONNS-MANSERQUSA-N 2 1 299.462 3.624 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC[C@H]1c1cccnc1)C2 ZINC001172121223 1132135008 /nfs/dbraw/zinc/13/50/08/1132135008.db2.gz JIQCXTVASGONNS-MANSERQUSA-N 2 1 299.462 3.624 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCCC[C@H]1c1cccnc1)C2 ZINC001172121223 1132135012 /nfs/dbraw/zinc/13/50/12/1132135012.db2.gz JIQCXTVASGONNS-MANSERQUSA-N 2 1 299.462 3.624 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCC[C@H]1c1cccnc1)C2 ZINC001172121223 1132135015 /nfs/dbraw/zinc/13/50/15/1132135015.db2.gz JIQCXTVASGONNS-MANSERQUSA-N 2 1 299.462 3.624 20 0 CHADMP CCC[N@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121743 1132136139 /nfs/dbraw/zinc/13/61/39/1132136139.db2.gz LPMLICBKKUYDJJ-REPLKXPHSA-N 2 1 286.463 3.914 20 0 CHADMP CCC[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121743 1132136142 /nfs/dbraw/zinc/13/61/42/1132136142.db2.gz LPMLICBKKUYDJJ-REPLKXPHSA-N 2 1 286.463 3.914 20 0 CHADMP CCC[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172121743 1132136146 /nfs/dbraw/zinc/13/61/46/1132136146.db2.gz LPMLICBKKUYDJJ-REPLKXPHSA-N 2 1 286.463 3.914 20 0 CHADMP CCC[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121743 1132136149 /nfs/dbraw/zinc/13/61/49/1132136149.db2.gz LPMLICBKKUYDJJ-REPLKXPHSA-N 2 1 286.463 3.914 20 0 CHADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1csc2ccccc12 ZINC000838928617 1132159912 /nfs/dbraw/zinc/15/99/12/1132159912.db2.gz QDPPQMCYUDYKQT-LBPRGKRZSA-N 2 1 285.416 3.528 20 0 CHADMP CCCCCC[C@H](CCC)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001172380183 1132171296 /nfs/dbraw/zinc/17/12/96/1132171296.db2.gz ZPEYSDMHRSRTLL-HOTGVXAUSA-N 2 1 254.462 3.667 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H]1C ZINC001172367098 1132193202 /nfs/dbraw/zinc/19/32/02/1132193202.db2.gz FIMUSRPDBIQGNQ-YYIAUSFCSA-N 2 1 278.484 3.808 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H]1C ZINC001172367098 1132193206 /nfs/dbraw/zinc/19/32/06/1132193206.db2.gz FIMUSRPDBIQGNQ-YYIAUSFCSA-N 2 1 278.484 3.808 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172559506 1132269198 /nfs/dbraw/zinc/26/91/98/1132269198.db2.gz MJZRVLHNGOQYGQ-IVDHNXQLSA-N 2 1 298.474 3.928 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172559506 1132269203 /nfs/dbraw/zinc/26/92/03/1132269203.db2.gz MJZRVLHNGOQYGQ-IVDHNXQLSA-N 2 1 298.474 3.928 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172548509 1132280273 /nfs/dbraw/zinc/28/02/73/1132280273.db2.gz DYWBXABAXOSCFX-MOPGFXCFSA-N 2 1 288.479 3.986 20 0 CHADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@H]1CCC[C@@H](c3ccccc3)C1)C2 ZINC001172548762 1132282480 /nfs/dbraw/zinc/28/24/80/1132282480.db2.gz IFEVHOPHOPLYLP-YSTOQKLRSA-N 2 1 298.474 3.596 20 0 CHADMP CC1(C)CC([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CC(C)(C)O1 ZINC001172654353 1132289250 /nfs/dbraw/zinc/28/92/50/1132289250.db2.gz CSGQRCSWALOONV-HNNXBMFYSA-N 2 1 296.499 3.564 20 0 CHADMP C[N@H+]1CCC[C@@H]([NH2+]C2CCC3(CCCC3)CC2)CC1 ZINC001172726542 1132299938 /nfs/dbraw/zinc/29/99/38/1132299938.db2.gz WYMPUYBUBDWJRU-OAHLLOKOSA-N 2 1 264.457 3.563 20 0 CHADMP Cc1sc2ccccc2c1C[NH+]1CCC([NH+](C)C)CC1 ZINC001231645249 1132333955 /nfs/dbraw/zinc/33/39/55/1132333955.db2.gz VNVJGNQBQDZICS-UHFFFAOYSA-N 2 1 288.460 3.736 20 0 CHADMP Cc1ccc2ccccc2c1C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001142388244 1132380648 /nfs/dbraw/zinc/38/06/48/1132380648.db2.gz RSNKZMIKDKOOHR-UHFFFAOYSA-N 2 1 294.442 3.818 20 0 CHADMP CC[NH+](CC)C1CCC([N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC001173109071 1132391837 /nfs/dbraw/zinc/39/18/37/1132391837.db2.gz WKRZHVCFPWRECY-RYTJFDOTSA-N 2 1 266.473 3.902 20 0 CHADMP CCCCC[N@@H+](C)C1CCC([NH+](CC)CC)CC1 ZINC001173108181 1132392483 /nfs/dbraw/zinc/39/24/83/1132392483.db2.gz FJTDNXKIWUHQRY-UHFFFAOYSA-N 2 1 254.462 3.761 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H](C)CC2)CC1 ZINC001173109954 1132394624 /nfs/dbraw/zinc/39/46/24/1132394624.db2.gz LZUQWRQZEYCPNS-GTPINHCMSA-N 2 1 266.473 3.761 20 0 CHADMP CC[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)C1CCCCC1 ZINC001232010460 1132410350 /nfs/dbraw/zinc/41/03/50/1132410350.db2.gz FLGPWLBNTIPKGE-UHFFFAOYSA-N 2 1 257.381 3.718 20 0 CHADMP Cc1cccc(CC[N@H+](C)Cc2cc3c[nH+]ccc3[nH]2)c1 ZINC001232014266 1132410769 /nfs/dbraw/zinc/41/07/69/1132410769.db2.gz MNNFGVAZABFRPV-UHFFFAOYSA-N 2 1 279.387 3.546 20 0 CHADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC001232011471 1132411358 /nfs/dbraw/zinc/41/13/58/1132411358.db2.gz LUEUZXSFCWNWKR-OAHLLOKOSA-N 2 1 277.371 3.552 20 0 CHADMP CCCC[C@H](CC(C)C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001173250823 1132420147 /nfs/dbraw/zinc/42/01/47/1132420147.db2.gz VUHAKEGSLMJPFF-HZPDHXFCSA-N 2 1 254.462 3.665 20 0 CHADMP C[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)CC1 ZINC001232145271 1132427070 /nfs/dbraw/zinc/42/70/70/1132427070.db2.gz ZXXVSTAAGWNEBW-CQSZACIVSA-N 2 1 278.415 3.509 20 0 CHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC3(CCCC3)C2)c1 ZINC001232145917 1132428614 /nfs/dbraw/zinc/42/86/14/1132428614.db2.gz DSDDLFVFGBQNCC-UHFFFAOYSA-N 2 1 290.426 3.653 20 0 CHADMP CCS[C@H]1CC[C@@H]([N@@H+](C)CCCCCCC[NH3+])C1 ZINC000842472399 1132432715 /nfs/dbraw/zinc/43/27/15/1132432715.db2.gz ABKDXRQBYOXSTP-CABCVRRESA-N 2 1 272.502 3.502 20 0 CHADMP C[N@@H+](CCCCCCC[NH3+])[C@@H]1CCc2ccccc21 ZINC000842471465 1132433391 /nfs/dbraw/zinc/43/33/91/1132433391.db2.gz CQBNQXRQKHRERM-QGZVFWFLSA-N 2 1 260.425 3.515 20 0 CHADMP Cc1ccccc1[C@@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000842472035 1132433465 /nfs/dbraw/zinc/43/34/65/1132433465.db2.gz NGSHXRYIPDWGCX-QGZVFWFLSA-N 2 1 274.452 3.694 20 0 CHADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCCCCCC[NH3+] ZINC000842472668 1132433505 /nfs/dbraw/zinc/43/35/05/1132433505.db2.gz HQDIGTXFMOOTML-PMPSAXMXSA-N 2 1 252.446 3.549 20 0 CHADMP CC1(C)C[N@@H+](CCCCCCC[NH3+])CC[C@@H]1C(F)(F)F ZINC000842478893 1132434521 /nfs/dbraw/zinc/43/45/21/1132434521.db2.gz QLDBDMHGBPSTLP-ZDUSSCGKSA-N 2 1 294.405 3.806 20 0 CHADMP CCSC[C@H](C)[N@@H+](C(CC)CC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173295935 1132444078 /nfs/dbraw/zinc/44/40/78/1132444078.db2.gz OUDFYVOMTBBREO-DZKIICNBSA-N 2 1 286.529 3.889 20 0 CHADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCC3(CCCCC3)C2)CC1 ZINC001173349661 1132474085 /nfs/dbraw/zinc/47/40/85/1132474085.db2.gz SIXUUBRHCWCCBP-IAGOWNOFSA-N 2 1 278.484 3.953 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001173349787 1132474722 /nfs/dbraw/zinc/47/47/22/1132474722.db2.gz UKWXUEAQWNYKAL-SJORKVTESA-N 2 1 278.484 3.953 20 0 CHADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CCCC4(CCCCC4)C3)C2)C1 ZINC001173350464 1132475783 /nfs/dbraw/zinc/47/57/83/1132475783.db2.gz VZSFDGVRTFCHBO-PKOBYXMFSA-N 2 1 290.495 3.907 20 0 CHADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CCCC4(CCCCC4)C3)C2)C1 ZINC001173350464 1132475787 /nfs/dbraw/zinc/47/57/87/1132475787.db2.gz VZSFDGVRTFCHBO-PKOBYXMFSA-N 2 1 290.495 3.907 20 0 CHADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3CCCC4(CCCCC4)C3)C2)C1 ZINC001173350464 1132475792 /nfs/dbraw/zinc/47/57/92/1132475792.db2.gz VZSFDGVRTFCHBO-PKOBYXMFSA-N 2 1 290.495 3.907 20 0 CHADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1CCCCCC1 ZINC000843053417 1132494234 /nfs/dbraw/zinc/49/42/34/1132494234.db2.gz MAESBTJXABHISB-ALOPSCKCSA-N 2 1 264.457 3.691 20 0 CHADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1CCCCCC1 ZINC000843053417 1132494230 /nfs/dbraw/zinc/49/42/30/1132494230.db2.gz MAESBTJXABHISB-ALOPSCKCSA-N 2 1 264.457 3.691 20 0 CHADMP CC(C)c1cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)ccc1Cl ZINC001206211011 1132505383 /nfs/dbraw/zinc/50/53/83/1132505383.db2.gz MFEQUBPKIIMANL-CVEARBPZSA-N 2 1 298.833 3.725 20 0 CHADMP CC(C)c1cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)ccc1Cl ZINC001206211011 1132505388 /nfs/dbraw/zinc/50/53/88/1132505388.db2.gz MFEQUBPKIIMANL-CVEARBPZSA-N 2 1 298.833 3.725 20 0 CHADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCc1ccc2ccccc2c1 ZINC000843360866 1132522257 /nfs/dbraw/zinc/52/22/57/1132522257.db2.gz KMFRNOUYRZODKX-IHWFROFDSA-N 2 1 294.442 3.727 20 0 CHADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC001206632697 1132549753 /nfs/dbraw/zinc/54/97/53/1132549753.db2.gz NZDGMYNHYUNANJ-SFHVURJKSA-N 2 1 294.442 3.914 20 0 CHADMP CC[NH+]1CCC([N@H+](C)Cc2cc(Cl)ccc2C)CC1 ZINC001233250139 1132589238 /nfs/dbraw/zinc/58/92/38/1132589238.db2.gz WZUNVHSXDPESOQ-UHFFFAOYSA-N 2 1 280.843 3.565 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)ccc2C)CC1 ZINC001233250139 1132589241 /nfs/dbraw/zinc/58/92/41/1132589241.db2.gz WZUNVHSXDPESOQ-UHFFFAOYSA-N 2 1 280.843 3.565 20 0 CHADMP Cc1ccc2c(C)cc(N[C@H]3CCC[C@H]([NH3+])C3)[nH+]c2c1C ZINC001154988118 1132634980 /nfs/dbraw/zinc/63/49/80/1132634980.db2.gz OJFVXMUECPYTLE-GJZGRUSLSA-N 2 1 283.419 3.842 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(C)c(C)s1 ZINC001233700479 1132665703 /nfs/dbraw/zinc/66/57/03/1132665703.db2.gz NPMOZUBDDAHZTG-UHFFFAOYSA-N 2 1 268.470 3.529 20 0 CHADMP Cc1c[nH+]c(Nc2ccc([C@H]3CCC[NH2+]3)cc2)c(C)c1 ZINC001159234146 1132819137 /nfs/dbraw/zinc/81/91/37/1132819137.db2.gz FYFZXXDGUJWURT-MRXNPFEDSA-N 2 1 267.376 3.867 20 0 CHADMP CCC[NH+](CCC)c1ccc(NC2=CCC[NH2+]C2)cc1 ZINC001159539787 1132860607 /nfs/dbraw/zinc/86/06/07/1132860607.db2.gz MUAHLJHBWKNSEB-UHFFFAOYSA-N 2 1 273.424 3.602 20 0 CHADMP Cc1cc([NH+]2CCCCC2)ccc1NC=C1CC[NH2+]CC1 ZINC001159818304 1132911742 /nfs/dbraw/zinc/91/17/42/1132911742.db2.gz KPDZJEVFUGCNJF-UHFFFAOYSA-N 2 1 285.435 3.665 20 0 CHADMP CC[NH+](CC)c1ccc(Nc2ccccc2CC[NH3+])cc1 ZINC001159997722 1132932193 /nfs/dbraw/zinc/93/21/93/1132932193.db2.gz MGIIPELUXOHMBM-UHFFFAOYSA-N 2 1 283.419 3.778 20 0 CHADMP CC1(C)C[NH2+]Cc2cc(Nc3ccc4[nH]c[nH+]c4c3)ccc21 ZINC001160286038 1132958496 /nfs/dbraw/zinc/95/84/96/1132958496.db2.gz AJZLJEQSCKJICW-UHFFFAOYSA-N 2 1 292.386 3.687 20 0 CHADMP CCC(CC)[NH+]1CCC(Nc2[nH+]cc(C)cc2C)CC1 ZINC001161099644 1132994705 /nfs/dbraw/zinc/99/47/05/1132994705.db2.gz ZGNXWZHIFRAWCP-UHFFFAOYSA-N 2 1 275.440 3.763 20 0 CHADMP Cc1c[nH+]c(N(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)c(C)c1 ZINC001161675082 1133014823 /nfs/dbraw/zinc/01/48/23/1133014823.db2.gz LIWAFAUDDXBSEY-WKILWMFISA-N 2 1 289.467 3.821 20 0 CHADMP Cc1[nH+]c2ccc(N[C@@H]3CCC[C@H]([NH3+])C3)cc2n1C(C)C ZINC001162401196 1133075133 /nfs/dbraw/zinc/07/51/33/1133075133.db2.gz KALWVNFLEAIPJP-UONOGXRCSA-N 2 1 286.423 3.607 20 0 CHADMP Cc1[nH+]c2ccc(N[C@H]3CCC[C@H]([NH3+])C3)cc2n1C(C)C ZINC001162401193 1133075478 /nfs/dbraw/zinc/07/54/78/1133075478.db2.gz KALWVNFLEAIPJP-KBPBESRZSA-N 2 1 286.423 3.607 20 0 CHADMP Cc1cc[nH+]c2cc(N[C@H]3C[NH2+]Cc4ccsc43)ccc12 ZINC001163230626 1133138261 /nfs/dbraw/zinc/13/82/61/1133138261.db2.gz YQVIQEWEXVJGEF-INIZCTEOSA-N 2 1 295.411 3.861 20 0 CHADMP CN1CCC[C@H]2C[N@@H+](Cc3ccc(C(C)(C)C)cc3)C[C@@H]21 ZINC001204398704 1133255810 /nfs/dbraw/zinc/25/58/10/1133255810.db2.gz MNHDXICGONLEMS-WMZOPIPTSA-N 2 1 286.463 3.510 20 0 CHADMP C[N@@H+]1CCC[C@H]2CN(Cc3ccc(C(C)(C)C)cc3)C[C@@H]21 ZINC001204398704 1133255814 /nfs/dbraw/zinc/25/58/14/1133255814.db2.gz MNHDXICGONLEMS-WMZOPIPTSA-N 2 1 286.463 3.510 20 0 CHADMP C[N@H+]1CCC[C@H]2CN(Cc3ccc(C(C)(C)C)cc3)C[C@@H]21 ZINC001204398704 1133255819 /nfs/dbraw/zinc/25/58/19/1133255819.db2.gz MNHDXICGONLEMS-WMZOPIPTSA-N 2 1 286.463 3.510 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1cccc(F)c1 ZINC001203789600 1133368822 /nfs/dbraw/zinc/36/88/22/1133368822.db2.gz KEAVDZFYBXXQBJ-ZWKOTPCHSA-N 2 1 290.426 3.665 20 0 CHADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001203789600 1133368829 /nfs/dbraw/zinc/36/88/29/1133368829.db2.gz KEAVDZFYBXXQBJ-ZWKOTPCHSA-N 2 1 290.426 3.665 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001203789600 1133368835 /nfs/dbraw/zinc/36/88/35/1133368835.db2.gz KEAVDZFYBXXQBJ-ZWKOTPCHSA-N 2 1 290.426 3.665 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001203789600 1133368838 /nfs/dbraw/zinc/36/88/38/1133368838.db2.gz KEAVDZFYBXXQBJ-ZWKOTPCHSA-N 2 1 290.426 3.665 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001203789600 1133368843 /nfs/dbraw/zinc/36/88/43/1133368843.db2.gz KEAVDZFYBXXQBJ-ZWKOTPCHSA-N 2 1 290.426 3.665 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC001204161893 1133411760 /nfs/dbraw/zinc/41/17/60/1133411760.db2.gz HNAMINCQACIZNO-SJORKVTESA-N 2 1 280.500 3.867 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC001204161893 1133411761 /nfs/dbraw/zinc/41/17/61/1133411761.db2.gz HNAMINCQACIZNO-SJORKVTESA-N 2 1 280.500 3.867 20 0 CHADMP Cc1cc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)oc1C ZINC001204535281 1133459367 /nfs/dbraw/zinc/45/93/67/1133459367.db2.gz PNVOFMBSWNQKHY-KRWDZBQOSA-N 2 1 290.451 3.737 20 0 CHADMP Cc1cc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)oc1C ZINC001204535281 1133459369 /nfs/dbraw/zinc/45/93/69/1133459369.db2.gz PNVOFMBSWNQKHY-KRWDZBQOSA-N 2 1 290.451 3.737 20 0 CHADMP CC(C)(C)[N@@H+](Cc1ccccc1)Cc1cccc(C[NH3+])c1 ZINC001204604821 1133466713 /nfs/dbraw/zinc/46/67/13/1133466713.db2.gz YMOITRPPCOBFDG-UHFFFAOYSA-N 2 1 282.431 3.946 20 0 CHADMP Cc1csc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1Cl ZINC001204735221 1133479305 /nfs/dbraw/zinc/47/93/05/1133479305.db2.gz OUUITHNQFVUKQF-UHFFFAOYSA-N 2 1 298.883 3.676 20 0 CHADMP c1cc(C2CCC2)ccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204743061 1133481156 /nfs/dbraw/zinc/48/11/56/1133481156.db2.gz ZDYIIQJPEIEEEH-UHFFFAOYSA-N 2 1 298.474 3.920 20 0 CHADMP CC(C)=CCCC1=CC[C@@H](C[N@@H+]2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)CC1 ZINC001204919261 1133499888 /nfs/dbraw/zinc/49/98/88/1133499888.db2.gz WUBRIRWUUVWEPO-MKXGPGLRSA-N 2 1 288.479 3.596 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@](C)([NH3+])C1 ZINC001204947320 1133505826 /nfs/dbraw/zinc/50/58/26/1133505826.db2.gz XOSHCKYGDNYFND-FQEVSTJZSA-N 2 1 294.442 3.975 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1CCC[C@](C)([NH3+])C1 ZINC001204947320 1133505828 /nfs/dbraw/zinc/50/58/28/1133505828.db2.gz XOSHCKYGDNYFND-FQEVSTJZSA-N 2 1 294.442 3.975 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccc(C3CCCCC3)cc2)C[C@H]1C[NH3+] ZINC001205156444 1133538206 /nfs/dbraw/zinc/53/82/06/1133538206.db2.gz WPAHZEREJJCHAK-HNAYVOBHSA-N 2 1 286.463 3.761 20 0 CHADMP c1ccc([C@H]2CCCC[N@@H+]2CC2CC3(C2)CC[NH2+]CC3)cc1 ZINC001205164942 1133540702 /nfs/dbraw/zinc/54/07/02/1133540702.db2.gz XJYUMUMTODEVTA-LJQANCHMSA-N 2 1 298.474 3.993 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205190901 1133544515 /nfs/dbraw/zinc/54/45/15/1133544515.db2.gz RUUZCDCVELTKDH-DNVCBOLYSA-N 2 1 280.415 3.584 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205190901 1133544516 /nfs/dbraw/zinc/54/45/16/1133544516.db2.gz RUUZCDCVELTKDH-DNVCBOLYSA-N 2 1 280.415 3.584 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205255425 1133550535 /nfs/dbraw/zinc/55/05/35/1133550535.db2.gz IRXJYXJEGMLJKI-HZPDHXFCSA-N 2 1 252.446 3.572 20 0 CHADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2c[nH]c3ccc(Cl)cc23)CC1 ZINC001205266660 1133552604 /nfs/dbraw/zinc/55/26/04/1133552604.db2.gz VMKSFDPUERYPGN-MRXNPFEDSA-N 2 1 291.826 3.525 20 0 CHADMP CCCCOc1cccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205273248 1133553475 /nfs/dbraw/zinc/55/34/75/1133553475.db2.gz ISZFSNWXOYTZFY-GOSISDBHSA-N 2 1 290.451 3.569 20 0 CHADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001205324708 1133561422 /nfs/dbraw/zinc/56/14/22/1133561422.db2.gz FNAOHHYUVDYHID-CQSZACIVSA-N 2 1 299.462 3.649 20 0 CHADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001205324708 1133561425 /nfs/dbraw/zinc/56/14/25/1133561425.db2.gz FNAOHHYUVDYHID-CQSZACIVSA-N 2 1 299.462 3.649 20 0 CHADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccccc1-c1ccccc1 ZINC001205332552 1133563445 /nfs/dbraw/zinc/56/34/45/1133563445.db2.gz RQMBRENQIHZGIK-MRXNPFEDSA-N 2 1 280.415 3.537 20 0 CHADMP CCC(C)(C)c1ccc(C[N@@H+]2CC[NH2+]CC[C@H]2C)cc1 ZINC001205333240 1133563590 /nfs/dbraw/zinc/56/35/90/1133563590.db2.gz YCVYPOUQKIYJRO-OAHLLOKOSA-N 2 1 274.452 3.558 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CC[NH2+]CC[C@H]2C)cc1 ZINC001205333240 1133563593 /nfs/dbraw/zinc/56/35/93/1133563593.db2.gz YCVYPOUQKIYJRO-OAHLLOKOSA-N 2 1 274.452 3.558 20 0 CHADMP Cc1cc(F)cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1Cl ZINC001205654551 1133599289 /nfs/dbraw/zinc/59/92/89/1133599289.db2.gz XFADOIHNWFZTNI-DGCLKSJQSA-N 2 1 298.833 3.594 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(C)c1Cl ZINC001205665646 1133599567 /nfs/dbraw/zinc/59/95/67/1133599567.db2.gz SZAPOBPRLIVRCI-IUODEOHRSA-N 2 1 294.870 3.764 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(C)c1Cl ZINC001205665650 1133600875 /nfs/dbraw/zinc/60/08/75/1133600875.db2.gz SZAPOBPRLIVRCI-WFASDCNBSA-N 2 1 294.870 3.764 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](CC)CCc1cc(C)cc(C)c1 ZINC001205693450 1133604156 /nfs/dbraw/zinc/60/41/56/1133604156.db2.gz VWSDEVWANZWRKO-UHFFFAOYSA-N 2 1 290.495 3.900 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC001205716575 1133604898 /nfs/dbraw/zinc/60/48/98/1133604898.db2.gz JVPAUMROZHHHQV-OTWHNJEPSA-N 2 1 286.463 3.787 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC001205716575 1133604900 /nfs/dbraw/zinc/60/49/00/1133604900.db2.gz JVPAUMROZHHHQV-OTWHNJEPSA-N 2 1 286.463 3.787 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205815778 1133618278 /nfs/dbraw/zinc/61/82/78/1133618278.db2.gz HTWWAPDCFNPPEZ-JSGCOSHPSA-N 2 1 288.460 3.769 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205815778 1133618281 /nfs/dbraw/zinc/61/82/81/1133618281.db2.gz HTWWAPDCFNPPEZ-JSGCOSHPSA-N 2 1 288.460 3.769 20 0 CHADMP C[C@@H]1CC[N@H+](Cc2ccccc2-c2ccc(F)cc2)C[C@@H]1[NH3+] ZINC001205881045 1133626358 /nfs/dbraw/zinc/62/63/58/1133626358.db2.gz VVDDGGFIWUDINW-KUHUBIRLSA-N 2 1 298.405 3.662 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc(F)cc2)C[C@@H]1[NH3+] ZINC001205881045 1133626363 /nfs/dbraw/zinc/62/63/63/1133626363.db2.gz VVDDGGFIWUDINW-KUHUBIRLSA-N 2 1 298.405 3.662 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205902587 1133629106 /nfs/dbraw/zinc/62/91/06/1133629106.db2.gz KSIXHALIWPXQDF-OSNZYPHYSA-N 2 1 266.473 3.962 20 0 CHADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1C[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001205901713 1133629283 /nfs/dbraw/zinc/62/92/83/1133629283.db2.gz FNHRYOPWCDGUAO-DYWXZXKOSA-N 2 1 292.854 3.503 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1 ZINC001205915622 1133630355 /nfs/dbraw/zinc/63/03/55/1133630355.db2.gz QBHYTVOJOALMKM-DOTOQJQBSA-N 2 1 288.479 3.933 20 0 CHADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc(-c2ccccc2)c1 ZINC001205915573 1133630473 /nfs/dbraw/zinc/63/04/73/1133630473.db2.gz PSEGBBYBFUEEBS-OXQOHEQNSA-N 2 1 294.442 3.913 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205917428 1133630533 /nfs/dbraw/zinc/63/05/33/1133630533.db2.gz YOSVWKMBDXXAFQ-RDJZCZTQSA-N 2 1 282.431 3.707 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2cc3ccccc3s2)CCC[C@H]1C[NH3+] ZINC001205996576 1133638950 /nfs/dbraw/zinc/63/89/50/1133638950.db2.gz XKLSPRRXHHQSIG-HIFRSBDPSA-N 2 1 288.460 3.708 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c2ccccc12 ZINC001205996537 1133639431 /nfs/dbraw/zinc/63/94/31/1133639431.db2.gz XDOKWXGKSQRODW-IRXDYDNUSA-N 2 1 296.458 3.955 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccc(C3CCC3)cc2)CCC[C@H]1C[NH3+] ZINC001206025396 1133643570 /nfs/dbraw/zinc/64/35/70/1133643570.db2.gz NVHUPNCMCFBRQZ-KXBFYZLASA-N 2 1 286.463 3.761 20 0 CHADMP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001206214947 1133670920 /nfs/dbraw/zinc/67/09/20/1133670920.db2.gz HUBVSFXXBQTSEA-SQNIBIBYSA-N 2 1 280.500 3.913 20 0 CHADMP Cc1c(C[N@@H+]2CCC[NH2+]C[C@@H]2C)cccc1-c1ccccc1 ZINC001206263242 1133678416 /nfs/dbraw/zinc/67/84/16/1133678416.db2.gz SNUXIDQESIXJGB-INIZCTEOSA-N 2 1 294.442 3.846 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3CC[NH2+]C[C@H](C)C3)cc2)c1 ZINC001206276759 1133681005 /nfs/dbraw/zinc/68/10/05/1133681005.db2.gz IFQMDEUIOOOVDB-KRWDZBQOSA-N 2 1 294.442 3.703 20 0 CHADMP Cc1cccc(-c2ccc(C[N@@H+]3CC[NH2+]C[C@H](C)C3)cc2)c1 ZINC001206276759 1133681007 /nfs/dbraw/zinc/68/10/07/1133681007.db2.gz IFQMDEUIOOOVDB-KRWDZBQOSA-N 2 1 294.442 3.703 20 0 CHADMP CCCC[C@H](CC)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206292712 1133684744 /nfs/dbraw/zinc/68/47/44/1133684744.db2.gz DJDUCOJTYVYSPT-HOTGVXAUSA-N 2 1 254.462 3.654 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2coc3ccc(F)cc23)CC1 ZINC001206311016 1133687824 /nfs/dbraw/zinc/68/78/24/1133687824.db2.gz GICWFMFGRDCIEA-KRWDZBQOSA-N 2 1 290.382 3.523 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccccc2C(F)F)CC1 ZINC001206311612 1133687888 /nfs/dbraw/zinc/68/78/88/1133687888.db2.gz RIUWGFMOOLACQZ-INIZCTEOSA-N 2 1 282.378 3.575 20 0 CHADMP CC(C)Cc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1 ZINC001206317855 1133688661 /nfs/dbraw/zinc/68/86/61/1133688661.db2.gz KBDQQLXBKIXBKB-IBGZPJMESA-N 2 1 288.479 3.836 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc3ccsc3c2)CC1 ZINC001206317474 1133689177 /nfs/dbraw/zinc/68/91/77/1133689177.db2.gz GFJCMFXDKOLIHB-KRWDZBQOSA-N 2 1 288.460 3.852 20 0 CHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc3cccccc2-3)CC1 ZINC001206325731 1133689757 /nfs/dbraw/zinc/68/97/57/1133689757.db2.gz IHXQWMPWRLKOJS-LJQANCHMSA-N 2 1 282.431 3.742 20 0 CHADMP Cc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc(C)c1Cl ZINC001206575751 1133721100 /nfs/dbraw/zinc/72/11/00/1133721100.db2.gz XTLRASGSEJUSKM-QGZVFWFLSA-N 2 1 294.870 3.908 20 0 CHADMP CC(C)[N@@H+](Cc1cc2ccccc2o1)[C@H]1CCC[NH2+]CC1 ZINC001206589054 1133723164 /nfs/dbraw/zinc/72/31/64/1133723164.db2.gz FKAPGMPDGQAESI-INIZCTEOSA-N 2 1 286.419 3.785 20 0 CHADMP CC(C)[N@@H+](Cc1cc2ccccc2n1C)[C@@H]1CCC[NH2+]CC1 ZINC001206588945 1133723493 /nfs/dbraw/zinc/72/34/93/1133723493.db2.gz DNTLFXANDMENHH-QGZVFWFLSA-N 2 1 299.462 3.531 20 0 CHADMP CC(C)[N@@H+](Cc1ccc2occc2c1)[C@@H]1CCC[NH2+]CC1 ZINC001206591838 1133724114 /nfs/dbraw/zinc/72/41/14/1133724114.db2.gz WOJGJDZRBWUUFC-QGZVFWFLSA-N 2 1 286.419 3.785 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)s1 ZINC001206615550 1133728036 /nfs/dbraw/zinc/72/80/36/1133728036.db2.gz ILJPZCKVWJLTAY-AWEZNQCLSA-N 2 1 280.481 3.652 20 0 CHADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1C[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001206761155 1133743953 /nfs/dbraw/zinc/74/39/53/1133743953.db2.gz VDYWENKSBOMRBF-GKLJAUDBSA-N 2 1 292.854 3.503 20 0 CHADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(F)c2ccccc12 ZINC001206767882 1133745793 /nfs/dbraw/zinc/74/57/93/1133745793.db2.gz FVSBECOTBMGAFL-KGLIPLIRSA-N 2 1 286.394 3.538 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cccc(-c2ccccc2)c1 ZINC001206770455 1133746150 /nfs/dbraw/zinc/74/61/50/1133746150.db2.gz SDIXTFVPNXDAFS-WMZOPIPTSA-N 2 1 294.442 3.913 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206811255 1133751100 /nfs/dbraw/zinc/75/11/00/1133751100.db2.gz SOTSDFGEDBCHPZ-KGLIPLIRSA-N 2 1 280.843 3.516 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CC2(CCC2)C1 ZINC001207101034 1133767450 /nfs/dbraw/zinc/76/74/50/1133767450.db2.gz FKSIGUULBUKSJF-AEFFLSMTSA-N 2 1 298.474 3.677 20 0 CHADMP CC(C)C1CC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC001207186243 1133777238 /nfs/dbraw/zinc/77/72/38/1133777238.db2.gz VMXNTCHFKDRRKJ-HTWSVDAQSA-N 2 1 278.484 3.808 20 0 CHADMP CC(C)C1CC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001207186243 1133777242 /nfs/dbraw/zinc/77/72/42/1133777242.db2.gz VMXNTCHFKDRRKJ-HTWSVDAQSA-N 2 1 278.484 3.808 20 0 CHADMP CC1=CC[C@H](CC[NH+]2CCC([NH+]3CCC3)CC2)C1(C)C ZINC001207275602 1133785674 /nfs/dbraw/zinc/78/56/74/1133785674.db2.gz NNNXXVLAPPESRQ-MRXNPFEDSA-N 2 1 276.468 3.539 20 0 CHADMP CC1=CC[C@H](CC[N@@H+]2CCC3(C2)CC[NH+](C)CC3)C1(C)C ZINC001207274660 1133785929 /nfs/dbraw/zinc/78/59/29/1133785929.db2.gz DNZZRIMZOGBHAJ-QGZVFWFLSA-N 2 1 290.495 3.787 20 0 CHADMP CC[N@H+](Cc1cccc(Cl)c1)CC(C)(C)C[NH+](C)C ZINC001207288212 1133789321 /nfs/dbraw/zinc/78/93/21/1133789321.db2.gz JYJUMFGPAYDYJU-UHFFFAOYSA-N 2 1 282.859 3.750 20 0 CHADMP CC[N@@H+](Cc1cccc(Cl)c1)CC(C)(C)C[NH+](C)C ZINC001207288212 1133789326 /nfs/dbraw/zinc/78/93/26/1133789326.db2.gz JYJUMFGPAYDYJU-UHFFFAOYSA-N 2 1 282.859 3.750 20 0 CHADMP CC[C@@H](C)[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207289104 1133789426 /nfs/dbraw/zinc/78/94/26/1133789426.db2.gz HTEPEUSNUPGLLJ-MRXNPFEDSA-N 2 1 274.452 3.629 20 0 CHADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC001207291159 1133789570 /nfs/dbraw/zinc/78/95/70/1133789570.db2.gz LXNFOKAVBOBLAI-UHFFFAOYSA-N 2 1 286.463 3.773 20 0 CHADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)CC1 ZINC001207399334 1133797669 /nfs/dbraw/zinc/79/76/69/1133797669.db2.gz IYROBQVQCVYAFM-QGZVFWFLSA-N 2 1 292.854 3.819 20 0 CHADMP C[NH+]1CCC(CC[N@H+]2CCC[C@@H]2c2ccccc2F)CC1 ZINC001207483573 1133806158 /nfs/dbraw/zinc/80/61/58/1133806158.db2.gz FYJXFVMWFFVJNF-GOSISDBHSA-N 2 1 290.426 3.695 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)CC[C@H](C)c1ccc(C)o1 ZINC001208160229 1133890638 /nfs/dbraw/zinc/89/06/38/1133890638.db2.gz GJCVSUDGNMPBMI-HNNXBMFYSA-N 2 1 280.456 3.745 20 0 CHADMP Cc1ccc([C@H](C)CC[NH+]2CCC([N@H+](C)C3CC3)CC2)o1 ZINC001208164671 1133891350 /nfs/dbraw/zinc/89/13/50/1133891350.db2.gz APOFOOVVBITWCB-CQSZACIVSA-N 2 1 290.451 3.640 20 0 CHADMP Cc1ccc([C@H](C)CC[NH+]2CCC([N@@H+](C)C3CC3)CC2)o1 ZINC001208164671 1133891357 /nfs/dbraw/zinc/89/13/57/1133891357.db2.gz APOFOOVVBITWCB-CQSZACIVSA-N 2 1 290.451 3.640 20 0 CHADMP Cc1ccc(C[N@H+](C)CC2(C[NH+](C)C)CCCC2)cc1 ZINC001208188770 1133902549 /nfs/dbraw/zinc/90/25/49/1133902549.db2.gz ATYZWTOLSQRCOK-UHFFFAOYSA-N 2 1 274.452 3.549 20 0 CHADMP Cc1ccc(CC[N@H+](C)CC2(C[NH+](C)C)CCCC2)cc1 ZINC001208185438 1133903144 /nfs/dbraw/zinc/90/31/44/1133903144.db2.gz DOYUFMVKKNVSQY-UHFFFAOYSA-N 2 1 288.479 3.591 20 0 CHADMP CC[C@H]1c2ccccc2CC[N@@H+]1CC1CC[NH+](CC)CC1 ZINC001208601954 1133918692 /nfs/dbraw/zinc/91/86/92/1133918692.db2.gz UOZWUWBJKLUTEQ-IBGZPJMESA-N 2 1 286.463 3.728 20 0 CHADMP CCC[N@H+](Cc1ccccc1)CC1CC[NH+](CC)CC1 ZINC001208600789 1133919445 /nfs/dbraw/zinc/91/94/45/1133919445.db2.gz WKXOTVJOUAJMGP-UHFFFAOYSA-N 2 1 274.452 3.631 20 0 CHADMP C[C@H]1C[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C2(CC2)C1 ZINC001208942089 1133964935 /nfs/dbraw/zinc/96/49/35/1133964935.db2.gz GFDIDZBZZPBNLT-IEBWSBKVSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@H]1C[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C2(CC2)C1 ZINC001208942089 1133964937 /nfs/dbraw/zinc/96/49/37/1133964937.db2.gz GFDIDZBZZPBNLT-IEBWSBKVSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@H]1C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C2(CC2)C1 ZINC001208942089 1133964942 /nfs/dbraw/zinc/96/49/42/1133964942.db2.gz GFDIDZBZZPBNLT-IEBWSBKVSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@H]1C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C2(CC2)C1 ZINC001208942089 1133964947 /nfs/dbraw/zinc/96/49/47/1133964947.db2.gz GFDIDZBZZPBNLT-IEBWSBKVSA-N 2 1 298.474 3.773 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3C[C@@H]4CCC[C@H]4C3)C2)cc1 ZINC001208933156 1133965856 /nfs/dbraw/zinc/96/58/56/1133965856.db2.gz UCYBXQLZCOWFJF-UFYCRDLUSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CC4CCC3CC4)C2)cc1 ZINC001208940637 1133967981 /nfs/dbraw/zinc/96/79/81/1133967981.db2.gz UAUYYKSIWPWLFF-GPJFCIFZSA-N 2 1 298.474 3.773 20 0 CHADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CC4CCC3CC4)C2)cc1 ZINC001208940637 1133967983 /nfs/dbraw/zinc/96/79/83/1133967983.db2.gz UAUYYKSIWPWLFF-GPJFCIFZSA-N 2 1 298.474 3.773 20 0 CHADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CC4CCC3CC4)C2)cc1 ZINC001208940637 1133967988 /nfs/dbraw/zinc/96/79/88/1133967988.db2.gz UAUYYKSIWPWLFF-GPJFCIFZSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@@H]1CC[N@H+](Cc2ccccc2-c2ccc(F)cc2)CC[NH2+]1 ZINC001210496857 1134228891 /nfs/dbraw/zinc/22/88/91/1134228891.db2.gz KEJFZAWUXQMHKW-OAHLLOKOSA-N 2 1 298.405 3.677 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc(F)cc2)CC[NH2+]1 ZINC001210496857 1134228898 /nfs/dbraw/zinc/22/88/98/1134228898.db2.gz KEJFZAWUXQMHKW-OAHLLOKOSA-N 2 1 298.405 3.677 20 0 CHADMP Cc1[nH+]c2ccccn2c1Nc1cccc(C[NH+](C)C)c1F ZINC001216227463 1134812679 /nfs/dbraw/zinc/81/26/79/1134812679.db2.gz ITHCFLJYMLIFMZ-UHFFFAOYSA-N 2 1 298.365 3.587 20 0 CHADMP CN(C)Cc1cccc(Nc2ccc3c(c2)ncn3C)c1F ZINC001216231220 1134814276 /nfs/dbraw/zinc/81/42/76/1134814276.db2.gz CVDXOBLNCMUJCQ-UHFFFAOYSA-N 2 1 298.365 3.518 20 0 CHADMP CCCCc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001222148431 1135199462 /nfs/dbraw/zinc/19/94/62/1135199462.db2.gz OQKRHWSOMIWVIM-IBGZPJMESA-N 2 1 286.463 3.605 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222149020 1135200032 /nfs/dbraw/zinc/20/00/32/1135200032.db2.gz UZXKZJIGKDOZBU-HXUWFJFHSA-N 2 1 294.442 3.724 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001222153979 1135200467 /nfs/dbraw/zinc/20/04/67/1135200467.db2.gz DYAAXVUDMBFKJO-KRWDZBQOSA-N 2 1 292.854 3.532 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001222153979 1135200470 /nfs/dbraw/zinc/20/04/70/1135200470.db2.gz DYAAXVUDMBFKJO-KRWDZBQOSA-N 2 1 292.854 3.532 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(C)c1Cl ZINC001222154205 1135200572 /nfs/dbraw/zinc/20/05/72/1135200572.db2.gz IITVHEVJKGTOGA-KRWDZBQOSA-N 2 1 292.854 3.532 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(C)c1Cl ZINC001222154205 1135200575 /nfs/dbraw/zinc/20/05/75/1135200575.db2.gz IITVHEVJKGTOGA-KRWDZBQOSA-N 2 1 292.854 3.532 20 0 CHADMP CCCCCC[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222154179 1135200945 /nfs/dbraw/zinc/20/09/45/1135200945.db2.gz HPPUZBZCYNUWTA-KRWDZBQOSA-N 2 1 266.473 3.813 20 0 CHADMP CC(C)(CC[N@H+]1CCC[C@]12CCC[NH2+]C2)c1ccccc1 ZINC001222230622 1135211073 /nfs/dbraw/zinc/21/10/73/1135211073.db2.gz BQXPRCOXAOVMJY-IBGZPJMESA-N 2 1 286.463 3.572 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c2ccccc12 ZINC001222237889 1135212249 /nfs/dbraw/zinc/21/22/49/1135212249.db2.gz WLJFGIUDYIRBHC-HXUWFJFHSA-N 2 1 294.442 3.866 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c2ccccc12 ZINC001222237889 1135212254 /nfs/dbraw/zinc/21/22/54/1135212254.db2.gz WLJFGIUDYIRBHC-HXUWFJFHSA-N 2 1 294.442 3.866 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222258859 1135215767 /nfs/dbraw/zinc/21/57/67/1135215767.db2.gz HGWJUPYEXZNXOQ-JXCVUKRWSA-N 2 1 278.484 3.979 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222259382 1135215922 /nfs/dbraw/zinc/21/59/22/1135215922.db2.gz OJUCDPHUSYLGGW-MSOLQXFVSA-N 2 1 278.484 3.835 20 0 CHADMP CC(C)c1cccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001222278238 1135216813 /nfs/dbraw/zinc/21/68/13/1135216813.db2.gz YRFVFTXNUKROOH-IBGZPJMESA-N 2 1 286.463 3.776 20 0 CHADMP Fc1cccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c1Cl ZINC001222314039 1135223852 /nfs/dbraw/zinc/22/38/52/1135223852.db2.gz ARELRZJOVTZYKV-MRXNPFEDSA-N 2 1 296.817 3.587 20 0 CHADMP Fc1cccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1Cl ZINC001222314039 1135223855 /nfs/dbraw/zinc/22/38/55/1135223855.db2.gz ARELRZJOVTZYKV-MRXNPFEDSA-N 2 1 296.817 3.587 20 0 CHADMP Cc1c2ccccc2[nH]c1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222314823 1135224087 /nfs/dbraw/zinc/22/40/87/1135224087.db2.gz IWPFCBQQVNWSBQ-LJQANCHMSA-N 2 1 297.446 3.584 20 0 CHADMP c1cc2cc(C[N@H+]3CCC[C@@]34CCC[NH2+]CC4)ccc2o1 ZINC001222315620 1135224326 /nfs/dbraw/zinc/22/43/26/1135224326.db2.gz OZNUBDCALWWIOK-GOSISDBHSA-N 2 1 284.403 3.541 20 0 CHADMP c1cc2cc(C[N@H+]3CCC[C@]34CCC[NH2+]CC4)ccc2o1 ZINC001222315622 1135224452 /nfs/dbraw/zinc/22/44/52/1135224452.db2.gz OZNUBDCALWWIOK-SFHVURJKSA-N 2 1 284.403 3.541 20 0 CHADMP c1ccc(CCCC[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)cc1 ZINC001222385885 1135235013 /nfs/dbraw/zinc/23/50/13/1135235013.db2.gz ZKZCKMXXHOHGLM-LJQANCHMSA-N 2 1 286.463 3.617 20 0 CHADMP c1ccc(CCCC[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)cc1 ZINC001222385885 1135235017 /nfs/dbraw/zinc/23/50/17/1135235017.db2.gz ZKZCKMXXHOHGLM-LJQANCHMSA-N 2 1 286.463 3.617 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222421723 1135239142 /nfs/dbraw/zinc/23/91/42/1135239142.db2.gz OYTLDTBPVZUVCA-IRXDYDNUSA-N 2 1 264.457 3.587 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](Oc2ccncc2)C3)cc1 ZINC001225291893 1135537026 /nfs/dbraw/zinc/53/70/26/1135537026.db2.gz AMPPXHIMXRFOCP-DZFIZOCASA-N 2 1 294.398 3.656 20 0 CHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(Cl)cc1 ZINC000096971776 185144928 /nfs/dbraw/zinc/14/49/28/185144928.db2.gz QZCOKDWGUYADAE-INIZCTEOSA-N 2 1 280.843 3.646 20 0 CHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(Cl)cc1 ZINC000096971776 185144930 /nfs/dbraw/zinc/14/49/30/185144930.db2.gz QZCOKDWGUYADAE-INIZCTEOSA-N 2 1 280.843 3.646 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(Cl)cc1 ZINC000096971776 185144931 /nfs/dbraw/zinc/14/49/31/185144931.db2.gz QZCOKDWGUYADAE-INIZCTEOSA-N 2 1 280.843 3.646 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(Cl)cc1 ZINC000096971776 185144934 /nfs/dbraw/zinc/14/49/34/185144934.db2.gz QZCOKDWGUYADAE-INIZCTEOSA-N 2 1 280.843 3.646 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3sccc32)[C@H]2CCC[C@@H]21 ZINC000353668105 529807243 /nfs/dbraw/zinc/80/72/43/529807243.db2.gz FTDGOSHKNZVOQN-OJLVUWQFSA-N 2 1 290.476 3.588 20 0 CHADMP C[N@@H+](Cc1cc2ccccc2s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347071581 529981191 /nfs/dbraw/zinc/98/11/91/529981191.db2.gz QJLWOSVUBCTJKX-YIONKMFJSA-N 2 1 286.444 3.616 20 0 CHADMP CC1=C[C@H](C)C[C@@H](C[N@H+](C)C2CC[NH+](C(C)C)CC2)C1 ZINC000574491864 335023680 /nfs/dbraw/zinc/02/36/80/335023680.db2.gz FQMYGDKXLPCOIE-DOTOQJQBSA-N 2 1 278.484 3.783 20 0 CHADMP Cc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)c(Cl)c1 ZINC000574577373 335031215 /nfs/dbraw/zinc/03/12/15/335031215.db2.gz UJVBSNZDBZRJNO-UHFFFAOYSA-N 2 1 292.854 3.709 20 0 CHADMP CCCC[C@H](CC)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000574609372 335033412 /nfs/dbraw/zinc/03/34/12/335033412.db2.gz ACWYDXWHDILYKK-HNNXBMFYSA-N 2 1 254.462 3.619 20 0 CHADMP CCCC[C@H](CC)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000574609372 335033413 /nfs/dbraw/zinc/03/34/13/335033413.db2.gz ACWYDXWHDILYKK-HNNXBMFYSA-N 2 1 254.462 3.619 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccccc1C(F)(F)F ZINC000221781549 262296027 /nfs/dbraw/zinc/29/60/27/262296027.db2.gz FOMHZJWKTUGHJZ-UHFFFAOYSA-N 2 1 288.357 3.525 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccccc1C(F)(F)F ZINC000221781549 262296029 /nfs/dbraw/zinc/29/60/29/262296029.db2.gz FOMHZJWKTUGHJZ-UHFFFAOYSA-N 2 1 288.357 3.525 20 0 CHADMP C[C@@H](CC[NH2+]Cc1ncc(C[NH+](C)C)s1)CC(C)(C)C ZINC000352738045 533607964 /nfs/dbraw/zinc/60/79/64/533607964.db2.gz LXDYPSNTQGPMEY-ZDUSSCGKSA-N 2 1 297.512 3.757 20 0 CHADMP CC(C)(C)CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000342116841 130274021 /nfs/dbraw/zinc/27/40/21/130274021.db2.gz BLEGEBZDPQICEI-UHFFFAOYSA-N 2 1 289.467 3.835 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+]C1CCC2(CCCCC2)CC1 ZINC000342091306 130306444 /nfs/dbraw/zinc/30/64/44/130306444.db2.gz AETHUBYUZWCQMY-UHFFFAOYSA-N 2 1 275.440 3.674 20 0 CHADMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cc(F)ccc1F ZINC000020143381 171029012 /nfs/dbraw/zinc/02/90/12/171029012.db2.gz WVRJDYFQYWOVDU-NSHDSACASA-N 2 1 296.405 3.925 20 0 CHADMP CC1CC[NH+](CCC[NH2+]Cc2cccc(Cl)c2)CC1 ZINC000021015032 171289132 /nfs/dbraw/zinc/28/91/32/171289132.db2.gz PHDUDTKBHGGIEH-UHFFFAOYSA-N 2 1 280.843 3.552 20 0 CHADMP CCC(CC)[C@H](C[NH2+]C1CCCCCC1)[NH+](C)C ZINC000021016764 171289876 /nfs/dbraw/zinc/28/98/76/171289876.db2.gz QNYXQXMHTCUFEZ-INIZCTEOSA-N 2 1 254.462 3.665 20 0 CHADMP CC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1OC ZINC000037229257 260075720 /nfs/dbraw/zinc/07/57/20/260075720.db2.gz ZMUNHQAYDDCYDR-QGZVFWFLSA-N 2 1 290.451 3.612 20 0 CHADMP CSC1(C[NH2+]C[C@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000347996220 226399298 /nfs/dbraw/zinc/39/92/98/226399298.db2.gz GHXMBAKTSYUUSQ-MRXNPFEDSA-N 2 1 296.524 3.516 20 0 CHADMP CSC1(C[NH2+]C[C@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000347996220 226399300 /nfs/dbraw/zinc/39/93/00/226399300.db2.gz GHXMBAKTSYUUSQ-MRXNPFEDSA-N 2 1 296.524 3.516 20 0 CHADMP C[NH+](C)Cc1cnc(C[NH2+]CCCC2CCCCC2)s1 ZINC000352781708 227216895 /nfs/dbraw/zinc/21/68/95/227216895.db2.gz UIBBBWMTTICABR-UHFFFAOYSA-N 2 1 295.496 3.655 20 0 CHADMP C[NH+](C)[C@H](CNc1cc[nH+]c2cc(Cl)ccc12)C1CC1 ZINC000301973457 227745605 /nfs/dbraw/zinc/74/56/05/227745605.db2.gz AOZSFCJIUFEBQL-MRXNPFEDSA-N 2 1 289.810 3.640 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000187705768 260042689 /nfs/dbraw/zinc/04/26/89/260042689.db2.gz BWZBXTVZQLCQEC-HUUCEWRRSA-N 2 1 294.870 3.765 20 0 CHADMP Cc1cccc(C)c1C[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000179477524 260050764 /nfs/dbraw/zinc/05/07/64/260050764.db2.gz RQXYDSHMUFMEEL-FUHWJXTLSA-N 2 1 283.419 3.583 20 0 CHADMP C[C@@H](CCc1ccccc1)[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000179480831 260050796 /nfs/dbraw/zinc/05/07/96/260050796.db2.gz RWCRVKBYQBYLAL-AOIWGVFYSA-N 2 1 297.446 3.787 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000037878835 260118971 /nfs/dbraw/zinc/11/89/71/260118971.db2.gz VYHNAVSVIJXEGE-HNNXBMFYSA-N 2 1 290.451 3.609 20 0 CHADMP CC(C)CC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCC1 ZINC000312490744 260123025 /nfs/dbraw/zinc/12/30/25/260123025.db2.gz CISBIYHGFOGIMY-UHFFFAOYSA-N 2 1 278.484 3.809 20 0 CHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000312577291 260156769 /nfs/dbraw/zinc/15/67/69/260156769.db2.gz VPFSQDDYNLNZRF-OCCSQVGLSA-N 2 1 274.408 3.590 20 0 CHADMP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312851861 260212474 /nfs/dbraw/zinc/21/24/74/260212474.db2.gz QLIKGKKTVHNCIW-HLLBOEOZSA-N 2 1 292.854 3.723 20 0 CHADMP Cc1cccc([C@H](C)[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000128145192 260372189 /nfs/dbraw/zinc/37/21/89/260372189.db2.gz NJTKSQQWJDPRCK-HNNXBMFYSA-N 2 1 272.436 3.520 20 0 CHADMP CC[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000152177161 261060430 /nfs/dbraw/zinc/06/04/30/261060430.db2.gz SAQIPMHNYCSBKN-CHWSQXEVSA-N 2 1 257.381 3.630 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCSc3ccccc32)[C@H](C)C1 ZINC000155396175 261101795 /nfs/dbraw/zinc/10/17/95/261101795.db2.gz JEFMJIQKJPGPDN-FVQBIDKESA-N 2 1 290.476 3.543 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(SC)c(F)c2)CC1 ZINC000159285990 261182529 /nfs/dbraw/zinc/18/25/29/261182529.db2.gz WGSOAUIVAZWUJR-LBPRGKRZSA-N 2 1 296.455 3.683 20 0 CHADMP Cc1cc[nH+]c(NCC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000301634208 261339061 /nfs/dbraw/zinc/33/90/61/261339061.db2.gz KDBZRXVCBJBCLY-INIZCTEOSA-N 2 1 283.419 3.713 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccncc1 ZINC000173915273 261550119 /nfs/dbraw/zinc/55/01/19/261550119.db2.gz ORURQTVZWXHADO-INIZCTEOSA-N 2 1 297.446 3.773 20 0 CHADMP Cc1oc2ccccc2c1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000179834739 261819444 /nfs/dbraw/zinc/81/94/44/261819444.db2.gz GCHKJEKVHDXXCC-UHFFFAOYSA-N 2 1 286.419 3.704 20 0 CHADMP Cc1cncc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000184281082 262014592 /nfs/dbraw/zinc/01/45/92/262014592.db2.gz PBWLWDIIHPGPKT-RDJZCZTQSA-N 2 1 289.467 3.553 20 0 CHADMP COc1ccsc1[C@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000186101239 262079834 /nfs/dbraw/zinc/07/98/34/262079834.db2.gz GHOSUQYKVGANSZ-ZDUSSCGKSA-N 2 1 296.480 3.528 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCNc2ccccc21 ZINC000186407719 262091564 /nfs/dbraw/zinc/09/15/64/262091564.db2.gz PSWDKZLYHQOKLW-SFHVURJKSA-N 2 1 298.434 3.508 20 0 CHADMP Cc1ccc([C@@H]([NH2+]C2CC[NH+](C)CC2)C2CCC2)cc1 ZINC000186947045 262117188 /nfs/dbraw/zinc/11/71/88/262117188.db2.gz MHXMLMDYSZJVHJ-SFHVURJKSA-N 2 1 272.436 3.520 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc2ccccc2c1 ZINC000221787905 262296773 /nfs/dbraw/zinc/29/67/73/262296773.db2.gz FDEGHRWWFGNXAX-UHFFFAOYSA-N 2 1 270.420 3.660 20 0 CHADMP CCCOc1ccc([C@H](C)NCCC[N@@H+](C)C(C)C)cc1 ZINC000221927152 262327858 /nfs/dbraw/zinc/32/78/58/262327858.db2.gz BDRFDEDLIVPCSL-INIZCTEOSA-N 2 1 292.467 3.856 20 0 CHADMP CCCOc1ccc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000221927152 262327859 /nfs/dbraw/zinc/32/78/59/262327859.db2.gz BDRFDEDLIVPCSL-INIZCTEOSA-N 2 1 292.467 3.856 20 0 CHADMP CCCOc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000221927152 262327860 /nfs/dbraw/zinc/32/78/60/262327860.db2.gz BDRFDEDLIVPCSL-INIZCTEOSA-N 2 1 292.467 3.856 20 0 CHADMP Cc1nc(C)c([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)s1 ZINC000221943407 262332973 /nfs/dbraw/zinc/33/29/73/262332973.db2.gz HNFAFKUXQQWYQC-ZDUSSCGKSA-N 2 1 295.496 3.531 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000311720997 262339948 /nfs/dbraw/zinc/33/99/48/262339948.db2.gz PCTVMWVKJLIYJS-RHSMWYFYSA-N 2 1 260.425 3.555 20 0 CHADMP CC(C)[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000390782842 262346004 /nfs/dbraw/zinc/34/60/04/262346004.db2.gz UGKACKAREGMKCS-HKUYNNGSSA-N 2 1 288.479 3.923 20 0 CHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000414176529 262814773 /nfs/dbraw/zinc/81/47/73/262814773.db2.gz IGZBTXUPTQMABS-KDOFPFPSSA-N 2 1 290.426 3.598 20 0 CHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000414184864 262815524 /nfs/dbraw/zinc/81/55/24/262815524.db2.gz OOKAAPRQWTZBLG-SUMWQHHRSA-N 2 1 292.854 3.649 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CC[NH2+][C@H](C)C2)s1 ZINC000414687933 263032622 /nfs/dbraw/zinc/03/26/22/263032622.db2.gz CTVMEFQRYGZLDO-SNPRPXQTSA-N 2 1 278.465 3.582 20 0 CHADMP CC[N@@H+](CCC[NH3+])[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000414695190 263032994 /nfs/dbraw/zinc/03/29/94/263032994.db2.gz OIJXPHKVBJBXEB-GOSISDBHSA-N 2 1 286.394 3.586 20 0 CHADMP CC[C@H](C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000414714100 263034204 /nfs/dbraw/zinc/03/42/04/263034204.db2.gz LUIILGCXPVTZQD-SJLPKXTDSA-N 2 1 274.452 3.644 20 0 CHADMP CC[C@@H](C[N@@H+](CC)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000414714102 263034233 /nfs/dbraw/zinc/03/42/33/263034233.db2.gz LUIILGCXPVTZQD-WMZOPIPTSA-N 2 1 274.452 3.644 20 0 CHADMP CC[N@@H+](Cc1ccc(Cl)cc1C)[C@@H]1CCC[NH2+]CC1 ZINC000414719288 263034457 /nfs/dbraw/zinc/03/44/57/263034457.db2.gz UVMXDYFZDZDPJQ-MRXNPFEDSA-N 2 1 280.843 3.612 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414785698 263047042 /nfs/dbraw/zinc/04/70/42/263047042.db2.gz TUJUBJWXWPUYAF-CVEARBPZSA-N 2 1 298.430 3.563 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414816390 263053612 /nfs/dbraw/zinc/05/36/12/263053612.db2.gz PSMSXEXXGINEKL-RCCFBDPRSA-N 2 1 274.452 3.604 20 0 CHADMP C[C@@H](CCCC(F)(F)F)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414842245 263058438 /nfs/dbraw/zinc/05/84/38/263058438.db2.gz OESBALMSUROEPM-WCQYABFASA-N 2 1 280.378 3.605 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000453116095 263190721 /nfs/dbraw/zinc/19/07/21/263190721.db2.gz XRHPIZQIATUCSR-YJBOKZPZSA-N 2 1 278.484 3.665 20 0 CHADMP Cc1ccc(-c2ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])s2)cc1 ZINC000415002017 263202240 /nfs/dbraw/zinc/20/22/40/263202240.db2.gz DEBRKLJLOOVIGJ-CHWSQXEVSA-N 2 1 274.433 3.549 20 0 CHADMP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1Cl ZINC000415037639 263257118 /nfs/dbraw/zinc/25/71/18/263257118.db2.gz GXWQGOYLWYLEGX-NVXWUHKLSA-N 2 1 292.854 3.612 20 0 CHADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1Cl ZINC000415037639 263257119 /nfs/dbraw/zinc/25/71/19/263257119.db2.gz GXWQGOYLWYLEGX-NVXWUHKLSA-N 2 1 292.854 3.612 20 0 CHADMP c1ccc2cc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)ccc2c1 ZINC000415036706 263257171 /nfs/dbraw/zinc/25/71/71/263257171.db2.gz GCSCNTULBQCJHC-VQTJNVASSA-N 2 1 294.442 3.804 20 0 CHADMP c1ccc2cc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)ccc2c1 ZINC000415036702 263257194 /nfs/dbraw/zinc/25/71/94/263257194.db2.gz GCSCNTULBQCJHC-PMACEKPBSA-N 2 1 294.442 3.804 20 0 CHADMP C[C@H](C[NH2+][C@@H](C[NH3+])C1CCCC1)c1cccc(Cl)c1 ZINC000415061310 263257228 /nfs/dbraw/zinc/25/72/28/263257228.db2.gz CGTHDBKJTXRNET-WBMJQRKESA-N 2 1 280.843 3.551 20 0 CHADMP c1cc(C2CC2)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415041074 263257418 /nfs/dbraw/zinc/25/74/18/263257418.db2.gz KVFUGSVVCPMQFV-RTBURBONSA-N 2 1 284.447 3.528 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415060914 263259034 /nfs/dbraw/zinc/25/90/34/263259034.db2.gz ZKSRWCQSJOPLOL-YJBOKZPZSA-N 2 1 298.430 3.705 20 0 CHADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CCc4ccccc43)CC[NH2+]2)cc1 ZINC000415109508 263273340 /nfs/dbraw/zinc/27/33/40/263273340.db2.gz PQHVBZCXLMQLOD-IHPCNDPISA-N 2 1 292.426 3.757 20 0 CHADMP c1ccc([C@H]2C[C@@H]([NH2+]C3CCCCCC3)CC[NH2+]2)cc1 ZINC000415098243 263273535 /nfs/dbraw/zinc/27/35/35/263273535.db2.gz FCLSXQOIYIGJIS-ZWKOTPCHSA-N 2 1 272.436 3.792 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417367587 263881151 /nfs/dbraw/zinc/88/11/51/263881151.db2.gz NZJHRRMFZWJTCI-YHUYYLMFSA-N 2 1 292.492 3.562 20 0 CHADMP CCSc1ccccc1[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000425952054 264070692 /nfs/dbraw/zinc/07/06/92/264070692.db2.gz RPGSMIPQGUTECH-KBPBESRZSA-N 2 1 280.481 3.647 20 0 CHADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000070169366 264224845 /nfs/dbraw/zinc/22/48/45/264224845.db2.gz GKHBCORMBXZTEN-LLVKDONJSA-N 2 1 287.234 3.554 20 0 CHADMP Cc1ccc2cc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)oc2c1 ZINC000425958310 264226404 /nfs/dbraw/zinc/22/64/04/264226404.db2.gz MLQKGBKIBIQABS-KGLIPLIRSA-N 2 1 274.408 3.732 20 0 CHADMP Cc1ccc2cc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)oc2c1 ZINC000425958312 264226715 /nfs/dbraw/zinc/22/67/15/264226715.db2.gz MLQKGBKIBIQABS-ZIAGYGMSSA-N 2 1 274.408 3.732 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000131998043 264378188 /nfs/dbraw/zinc/37/81/88/264378188.db2.gz DTYJDRJTHAYELH-QWRGUYRKSA-N 2 1 287.234 3.644 20 0 CHADMP CC(C)C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000093978100 265206329 /nfs/dbraw/zinc/20/63/29/265206329.db2.gz VVEXBXDTJRSNSK-NXHRZFHOSA-N 2 1 274.452 3.846 20 0 CHADMP CC(C)C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000093978100 265206331 /nfs/dbraw/zinc/20/63/31/265206331.db2.gz VVEXBXDTJRSNSK-NXHRZFHOSA-N 2 1 274.452 3.846 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000094836546 265261782 /nfs/dbraw/zinc/26/17/82/265261782.db2.gz YKSGRDSTBZSKHT-CQSZACIVSA-N 2 1 266.404 3.517 20 0 CHADMP Cc1occc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000358016656 266398326 /nfs/dbraw/zinc/39/83/26/266398326.db2.gz GMYQAOWAWHJVCO-CYBMUJFWSA-N 2 1 295.386 3.933 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCCCc1ccccc1 ZINC000119229495 267312329 /nfs/dbraw/zinc/31/23/29/267312329.db2.gz CFZKMGOOQSPMPF-UHFFFAOYSA-N 2 1 299.462 3.926 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)CCCCc1ccccc1 ZINC000119229495 267312331 /nfs/dbraw/zinc/31/23/31/267312331.db2.gz CFZKMGOOQSPMPF-UHFFFAOYSA-N 2 1 299.462 3.926 20 0 CHADMP Cc1ccccc1C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000370534161 267327098 /nfs/dbraw/zinc/32/70/98/267327098.db2.gz RFULLVQBNROCHS-ZCNNSNEGSA-N 2 1 298.474 3.533 20 0 CHADMP c1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373524074 267687703 /nfs/dbraw/zinc/68/77/03/267687703.db2.gz QULYQZIZSCZFLU-TVPLGVNVSA-N 2 1 284.447 3.671 20 0 CHADMP CC(C)CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccoc1 ZINC000375889120 267918418 /nfs/dbraw/zinc/91/84/18/267918418.db2.gz NUWQWZQYTQUTAH-KSZLIROESA-N 2 1 290.451 3.973 20 0 CHADMP CC(C)CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccoc1 ZINC000375889120 267918422 /nfs/dbraw/zinc/91/84/22/267918422.db2.gz NUWQWZQYTQUTAH-KSZLIROESA-N 2 1 290.451 3.973 20 0 CHADMP C[C@@H]([NH2+][C@H](C)C(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000563270788 328005640 /nfs/dbraw/zinc/00/56/40/328005640.db2.gz AIFDJUFQKVXSLL-NUJGCVRESA-N 2 1 288.479 3.921 20 0 CHADMP CC(C)CC[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)C(C)(C)C ZINC000582449990 329008026 /nfs/dbraw/zinc/00/80/26/329008026.db2.gz ZJBCFJTUHRESQO-INIZCTEOSA-N 2 1 298.515 3.538 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C(C)C)C2CC2)c1 ZINC000531702206 328026265 /nfs/dbraw/zinc/02/62/65/328026265.db2.gz KZIGNUNLOSDMKZ-GOSISDBHSA-N 2 1 274.452 3.663 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000268804874 328072440 /nfs/dbraw/zinc/07/24/40/328072440.db2.gz KNMJYBMPUWXFHA-LLVKDONJSA-N 2 1 297.324 3.561 20 0 CHADMP CCCCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000152218919 328080515 /nfs/dbraw/zinc/08/05/15/328080515.db2.gz VQRFWOGRGJCCCJ-UHFFFAOYSA-N 2 1 292.442 3.612 20 0 CHADMP C[C@@H](CCCC(F)(F)F)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000163425747 328159591 /nfs/dbraw/zinc/15/95/91/328159591.db2.gz VJRFAEPVCVHLPG-LBPRGKRZSA-N 2 1 280.378 3.572 20 0 CHADMP C[C@@H](CCCC(F)(F)F)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000163425747 328159592 /nfs/dbraw/zinc/15/95/92/328159592.db2.gz VJRFAEPVCVHLPG-LBPRGKRZSA-N 2 1 280.378 3.572 20 0 CHADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000414652031 328208470 /nfs/dbraw/zinc/20/84/70/328208470.db2.gz CWSQRQWRRIAWHF-OGWHTMIXSA-N 2 1 286.463 3.556 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414684950 328214254 /nfs/dbraw/zinc/21/42/54/328214254.db2.gz XPSVKSNSLYWJCX-JZXOWHBKSA-N 2 1 272.436 3.520 20 0 CHADMP CCCCc1oc2ccccc2c1C[NH2+]C1CC[NH2+]CC1 ZINC000414793969 328228890 /nfs/dbraw/zinc/22/88/90/328228890.db2.gz UZIXPTRXLFLVSC-UHFFFAOYSA-N 2 1 286.419 3.617 20 0 CHADMP [NH3+]C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C1CCCCC1 ZINC000414832439 328233230 /nfs/dbraw/zinc/23/32/30/328233230.db2.gz DMSNISZRQDKQHY-MJBXVCDLSA-N 2 1 292.389 3.605 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC000280853788 328236674 /nfs/dbraw/zinc/23/66/74/328236674.db2.gz BRCABFSKZYUCTJ-QIJZBDPFSA-N 2 1 292.854 3.658 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC000280853788 328236675 /nfs/dbraw/zinc/23/66/75/328236675.db2.gz BRCABFSKZYUCTJ-QIJZBDPFSA-N 2 1 292.854 3.658 20 0 CHADMP CCCC[C@H]1CCC[C@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414872645 328246121 /nfs/dbraw/zinc/24/61/21/328246121.db2.gz GGNPKTJJWFUGTL-ZWKOTPCHSA-N 2 1 289.467 3.510 20 0 CHADMP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccccc1 ZINC000453408566 328302771 /nfs/dbraw/zinc/30/27/71/328302771.db2.gz FFNMWRPKLWFHJH-QGZVFWFLSA-N 2 1 260.425 3.602 20 0 CHADMP Cc1ccc(CC[C@@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C)cc1 ZINC000582151481 328303971 /nfs/dbraw/zinc/30/39/71/328303971.db2.gz AFBRYMVWTSJQBC-IAGOWNOFSA-N 2 1 276.468 3.634 20 0 CHADMP Cc1ccc(CC[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000582151481 328303973 /nfs/dbraw/zinc/30/39/73/328303973.db2.gz AFBRYMVWTSJQBC-IAGOWNOFSA-N 2 1 276.468 3.634 20 0 CHADMP CC(C)c1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000531932187 328320765 /nfs/dbraw/zinc/32/07/65/328320765.db2.gz HFCCGJXROKEBHL-FRQCXROJSA-N 2 1 288.479 3.671 20 0 CHADMP Cc1cccc2c1cc[nH+]c2NC1CCC([NH+](C)C)CC1 ZINC000563709492 328485260 /nfs/dbraw/zinc/48/52/60/328485260.db2.gz QCGWQNZMBWHGFB-UHFFFAOYSA-N 2 1 283.419 3.828 20 0 CHADMP Cc1ccc([C@@H]([NH2+]CCc2c[nH+]cn2C)C2CCCC2)cc1 ZINC000530460341 326811773 /nfs/dbraw/zinc/81/17/73/326811773.db2.gz MSLWXVVUKJKVOL-IBGZPJMESA-N 2 1 297.446 3.792 20 0 CHADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1occc1C ZINC000530714343 326887422 /nfs/dbraw/zinc/88/74/22/326887422.db2.gz LJGBAUUUFQNQDU-CVEARBPZSA-N 2 1 278.440 3.578 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCC2(C)C)CC1 ZINC000556588770 326953302 /nfs/dbraw/zinc/95/33/02/326953302.db2.gz HIPJQPKJBJNSLD-SFHVURJKSA-N 2 1 286.463 3.738 20 0 CHADMP CC(C)[C@H]1CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000556866149 326974849 /nfs/dbraw/zinc/97/48/49/326974849.db2.gz XFMSGHGQVLHMNM-MOPGFXCFSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@H](c1cc(Cl)ccc1Cl)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261587462 327007744 /nfs/dbraw/zinc/00/77/44/327007744.db2.gz JLEXVVQOYFHVAR-JLBHGKSJSA-N 2 1 299.245 3.724 20 0 CHADMP C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261587462 327007746 /nfs/dbraw/zinc/00/77/46/327007746.db2.gz JLEXVVQOYFHVAR-JLBHGKSJSA-N 2 1 299.245 3.724 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C/C(C)=C\c2ccccc2)[C@@H](C)C1 ZINC000255868957 327021905 /nfs/dbraw/zinc/02/19/05/327021905.db2.gz TZACIYWDEMMGGA-KISRCWLHSA-N 2 1 286.463 3.752 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C/C(C)=C\c2ccccc2)[C@@H](C)C1 ZINC000255868957 327021906 /nfs/dbraw/zinc/02/19/06/327021906.db2.gz TZACIYWDEMMGGA-KISRCWLHSA-N 2 1 286.463 3.752 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C/C(C)=C\c2ccccc2)[C@@H](C)C1 ZINC000255868957 327021907 /nfs/dbraw/zinc/02/19/07/327021907.db2.gz TZACIYWDEMMGGA-KISRCWLHSA-N 2 1 286.463 3.752 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261564022 327051704 /nfs/dbraw/zinc/05/17/04/327051704.db2.gz CBZIVQWPMGVXNR-HZSPNIEDSA-N 2 1 280.843 3.721 20 0 CHADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000558251135 327081684 /nfs/dbraw/zinc/08/16/84/327081684.db2.gz LDGQHPYXSHBPIJ-YSHGAJCASA-N 2 1 286.463 3.675 20 0 CHADMP CCC[N@H+](CC)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000558976403 327136083 /nfs/dbraw/zinc/13/60/83/327136083.db2.gz FGXHUJBZDBBMHB-SZMVWBNQSA-N 2 1 274.452 3.500 20 0 CHADMP CCC[N@@H+](CC)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000558976403 327136085 /nfs/dbraw/zinc/13/60/85/327136085.db2.gz FGXHUJBZDBBMHB-SZMVWBNQSA-N 2 1 274.452 3.500 20 0 CHADMP CC[NH+]1CCC([N@H+](C)C[C@@H](C)C2CCCCC2)CC1 ZINC000559106932 327141700 /nfs/dbraw/zinc/14/17/00/327141700.db2.gz OWPHVPGYKZESLK-OAHLLOKOSA-N 2 1 266.473 3.619 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](C)C2CCCCC2)CC1 ZINC000559106932 327141701 /nfs/dbraw/zinc/14/17/01/327141701.db2.gz OWPHVPGYKZESLK-OAHLLOKOSA-N 2 1 266.473 3.619 20 0 CHADMP Cc1ccncc1CCC[N@H+]1C[C@H](C)CCC[C@@H]1C ZINC000569410338 327173807 /nfs/dbraw/zinc/17/38/07/327173807.db2.gz TUYQAGJTGCULMW-ZBFHGGJFSA-N 2 1 260.425 3.833 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000559472777 327247669 /nfs/dbraw/zinc/24/76/69/327247669.db2.gz HGTGNEMMOCMXRZ-HNNXBMFYSA-N 2 1 294.870 3.777 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]CC23CCC(CC2)C3)C[C@@H]1c1ccccc1 ZINC000559788058 327260946 /nfs/dbraw/zinc/26/09/46/327260946.db2.gz BZHAYWCTFXIAOU-CGIJZDBUSA-N 2 1 298.474 3.992 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CC23CCC(CC2)C3)C[C@@H]1c1ccccc1 ZINC000559788058 327260948 /nfs/dbraw/zinc/26/09/48/327260948.db2.gz BZHAYWCTFXIAOU-CGIJZDBUSA-N 2 1 298.474 3.992 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]CC23CCC(CC2)C3)C[C@H]1c1ccccc1 ZINC000559788056 327261113 /nfs/dbraw/zinc/26/11/13/327261113.db2.gz BZHAYWCTFXIAOU-BUGOSIMFSA-N 2 1 298.474 3.992 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CC23CCC(CC2)C3)C[C@H]1c1ccccc1 ZINC000559788056 327261115 /nfs/dbraw/zinc/26/11/15/327261115.db2.gz BZHAYWCTFXIAOU-BUGOSIMFSA-N 2 1 298.474 3.992 20 0 CHADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCC[C@H]3F)CC2)C1 ZINC000559920474 327271855 /nfs/dbraw/zinc/27/18/55/327271855.db2.gz ZPSWHTJVTYNZGZ-LLLHUVSDSA-N 2 1 282.447 3.510 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000564689921 327320943 /nfs/dbraw/zinc/32/09/43/327320943.db2.gz MXUKBTMIPWPJCA-RYQLBKOJSA-N 2 1 274.452 3.500 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000564689921 327320944 /nfs/dbraw/zinc/32/09/44/327320944.db2.gz MXUKBTMIPWPJCA-RYQLBKOJSA-N 2 1 274.452 3.500 20 0 CHADMP C[C@H](CC[NH2+][C@H]1CC[C@H]1C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000582128625 327358695 /nfs/dbraw/zinc/35/86/95/327358695.db2.gz YVWVEGBJJJHKKP-MNEFBYGVSA-N 2 1 286.463 3.675 20 0 CHADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261617661 327359624 /nfs/dbraw/zinc/35/96/24/327359624.db2.gz UFYLVRFYPWAYJS-WMLDXEAASA-N 2 1 260.425 3.542 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@H](C(C)C)[C@H](C)C1 ZINC000536138308 328657804 /nfs/dbraw/zinc/65/78/04/328657804.db2.gz XVKODLVDVQFBQE-JOCBIADPSA-N 2 1 291.483 3.878 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000377392782 329013822 /nfs/dbraw/zinc/01/38/22/329013822.db2.gz QOYOGEMQCYSRFI-IRXDYDNUSA-N 2 1 278.415 3.693 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)c2ccccc21 ZINC000377564712 329019228 /nfs/dbraw/zinc/01/92/28/329019228.db2.gz QARCQKVLEZVHHH-XTUQQUOLSA-N 2 1 284.447 3.841 20 0 CHADMP CC1=CCC[C@@H](C)[C@H]1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377621162 329021126 /nfs/dbraw/zinc/02/11/26/329021126.db2.gz GPIRWPRBUFGQQL-WKUFJEKOSA-N 2 1 276.468 3.536 20 0 CHADMP CC1=CCC[C@@H](C)[C@H]1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377621162 329021128 /nfs/dbraw/zinc/02/11/28/329021128.db2.gz GPIRWPRBUFGQQL-WKUFJEKOSA-N 2 1 276.468 3.536 20 0 CHADMP CC1=CCC[C@@H](C)[C@H]1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000377621162 329021129 /nfs/dbraw/zinc/02/11/29/329021129.db2.gz GPIRWPRBUFGQQL-WKUFJEKOSA-N 2 1 276.468 3.536 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2ccccc2n1 ZINC000360038258 329070336 /nfs/dbraw/zinc/07/03/36/329070336.db2.gz UBRRFCATMJLZBB-BHYGNILZSA-N 2 1 295.430 3.512 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2ccccc2n1 ZINC000360038258 329070337 /nfs/dbraw/zinc/07/03/37/329070337.db2.gz UBRRFCATMJLZBB-BHYGNILZSA-N 2 1 295.430 3.512 20 0 CHADMP CC[C@@H]1CCC[C@@H](C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000394505777 329124418 /nfs/dbraw/zinc/12/44/18/329124418.db2.gz GIRWECUMJCKKRF-ZACQAIPSSA-N 2 1 266.473 3.523 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(C)sc2C)C1 ZINC000174212939 329155602 /nfs/dbraw/zinc/15/56/02/329155602.db2.gz NNJUYGAMSNDDDA-OAHLLOKOSA-N 2 1 280.481 3.529 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(C)sc2C)C1 ZINC000174212939 329155604 /nfs/dbraw/zinc/15/56/04/329155604.db2.gz NNJUYGAMSNDDDA-OAHLLOKOSA-N 2 1 280.481 3.529 20 0 CHADMP c1c2ccccc2oc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000178538368 329198192 /nfs/dbraw/zinc/19/81/92/329198192.db2.gz NBYKCMQHPXTQKM-QGZVFWFLSA-N 2 1 298.430 3.883 20 0 CHADMP c1c2ccccc2oc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000178538368 329198194 /nfs/dbraw/zinc/19/81/94/329198194.db2.gz NBYKCMQHPXTQKM-QGZVFWFLSA-N 2 1 298.430 3.883 20 0 CHADMP CC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1cccs1 ZINC000178700316 329202435 /nfs/dbraw/zinc/20/24/35/329202435.db2.gz HRRQJSACFJFXGR-OCCSQVGLSA-N 2 1 277.437 3.630 20 0 CHADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccc(C(F)F)cc1 ZINC000183951864 329255006 /nfs/dbraw/zinc/25/50/06/329255006.db2.gz BMGBMAXDTLHDHA-MRXNPFEDSA-N 2 1 296.405 3.930 20 0 CHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C(F)F)cc1 ZINC000183951864 329255007 /nfs/dbraw/zinc/25/50/07/329255007.db2.gz BMGBMAXDTLHDHA-MRXNPFEDSA-N 2 1 296.405 3.930 20 0 CHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C(F)F)cc1 ZINC000183951864 329255008 /nfs/dbraw/zinc/25/50/08/329255008.db2.gz BMGBMAXDTLHDHA-MRXNPFEDSA-N 2 1 296.405 3.930 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(C(F)F)cc1 ZINC000183951864 329255009 /nfs/dbraw/zinc/25/50/09/329255009.db2.gz BMGBMAXDTLHDHA-MRXNPFEDSA-N 2 1 296.405 3.930 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(C(F)F)cc1 ZINC000183951864 329255010 /nfs/dbraw/zinc/25/50/10/329255010.db2.gz BMGBMAXDTLHDHA-MRXNPFEDSA-N 2 1 296.405 3.930 20 0 CHADMP CCCc1cccc(C[NH2+]CCCCn2cc[nH+]c2C)c1 ZINC000187263642 329356218 /nfs/dbraw/zinc/35/62/18/329356218.db2.gz SBZKODCJJSHWKT-UHFFFAOYSA-N 2 1 285.435 3.714 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CCC1CCCCCC1 ZINC000584437020 329467926 /nfs/dbraw/zinc/46/79/26/329467926.db2.gz MWWXJWMPNUWPMZ-HNNXBMFYSA-N 2 1 277.456 3.778 20 0 CHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C3(CF)CCC3)CC2)C1 ZINC000583872747 329523306 /nfs/dbraw/zinc/52/33/06/329523306.db2.gz AVPYZLPBAYDBNY-ZBFHGGJFSA-N 2 1 282.447 3.511 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC000445403227 330111106 /nfs/dbraw/zinc/11/11/06/330111106.db2.gz MNPHHXDUKMVVEZ-HOTGVXAUSA-N 2 1 286.463 3.510 20 0 CHADMP CC(C)[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379637992 330144319 /nfs/dbraw/zinc/14/43/19/330144319.db2.gz ZFSNABOBKSLTQK-LMMKCTJWSA-N 2 1 288.479 3.921 20 0 CHADMP CC(C)[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379637992 330144320 /nfs/dbraw/zinc/14/43/20/330144320.db2.gz ZFSNABOBKSLTQK-LMMKCTJWSA-N 2 1 288.479 3.921 20 0 CHADMP C[C@@H]([NH2+]CCCCCc1ccccc1)c1c[nH+]ccc1N ZINC000422708480 330151417 /nfs/dbraw/zinc/15/14/17/330151417.db2.gz XTSXDKNEKPYPLM-OAHLLOKOSA-N 2 1 283.419 3.558 20 0 CHADMP CC[C@H]([NH2+]Cc1csc2ccccc12)[C@@H]1CCC[NH2+]1 ZINC000422751463 330153228 /nfs/dbraw/zinc/15/32/28/330153228.db2.gz CSDCWJIPLOKTGA-GJZGRUSLSA-N 2 1 274.433 3.522 20 0 CHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(F)cc1Cl ZINC000422749935 330153239 /nfs/dbraw/zinc/15/32/39/330153239.db2.gz BMZMSGCXTBGIQN-SRVKXCTJSA-N 2 1 284.806 3.518 20 0 CHADMP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1cccc2ccccc21 ZINC000422759157 330153561 /nfs/dbraw/zinc/15/35/61/330153561.db2.gz KUEYDEJUNIQVAP-LBTNJELSSA-N 2 1 268.404 3.631 20 0 CHADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](c2cccs2)C2CC2)c2ccccc21 ZINC000422792359 330155130 /nfs/dbraw/zinc/15/51/30/330155130.db2.gz DNIFLVOWYKRDAV-HLLBOEOZSA-N 2 1 284.428 3.934 20 0 CHADMP C[C@@H]([NH2+]CCCCC1CCCC1)c1c[nH+]ccc1N ZINC000422798863 330155564 /nfs/dbraw/zinc/15/55/64/330155564.db2.gz TWMQJFKDQYCHID-CYBMUJFWSA-N 2 1 261.413 3.505 20 0 CHADMP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1F ZINC000422876794 330158582 /nfs/dbraw/zinc/15/85/82/330158582.db2.gz QNBACHQNUFTTCP-DVJFUJMWSA-N 2 1 294.389 3.679 20 0 CHADMP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422880958 330158931 /nfs/dbraw/zinc/15/89/31/330158931.db2.gz XZSOEYSQGYARAJ-NRSFXHEJSA-N 2 1 272.436 3.648 20 0 CHADMP CC[C@H]([NH2+]Cc1cc2ccccc2s1)[C@@H]1CCC[NH2+]1 ZINC000422907081 330159739 /nfs/dbraw/zinc/15/97/39/330159739.db2.gz WKSNZDYREFVXRI-GJZGRUSLSA-N 2 1 274.433 3.522 20 0 CHADMP c1ccc([C@H]2C[C@H]([NH2+]C3(c4ccccc4)CC3)CC[NH2+]2)cc1 ZINC000422943307 330161761 /nfs/dbraw/zinc/16/17/61/330161761.db2.gz XXAJKRKFVMJMQT-RTBURBONSA-N 2 1 292.426 3.759 20 0 CHADMP CC(C)C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cccs1 ZINC000422947067 330161958 /nfs/dbraw/zinc/16/19/58/330161958.db2.gz PSBVVYYDNLPWMS-MJBXVCDLSA-N 2 1 266.454 3.565 20 0 CHADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422954177 330164037 /nfs/dbraw/zinc/16/40/37/330164037.db2.gz HCWSXNNGSSAGHM-YJQAKTFBSA-N 2 1 278.399 3.654 20 0 CHADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000423024756 330166016 /nfs/dbraw/zinc/16/60/16/330166016.db2.gz MMMSKLGUANBFTN-OUJBWJOFSA-N 2 1 292.320 3.535 20 0 CHADMP Cc1ccccc1C([NH2+][C@@H](C)C1C[NH2+]C1)c1ccccc1C ZINC000423033851 330166121 /nfs/dbraw/zinc/16/61/21/330166121.db2.gz HGXSZKNFCBSGQV-INIZCTEOSA-N 2 1 294.442 3.590 20 0 CHADMP CCCNc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000423078381 330168481 /nfs/dbraw/zinc/16/84/81/330168481.db2.gz VXOVLLAHBJAAAG-OALUTQOASA-N 2 1 295.430 3.743 20 0 CHADMP CCCNc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000423078382 330168484 /nfs/dbraw/zinc/16/84/84/330168484.db2.gz VXOVLLAHBJAAAG-RBUKOAKNSA-N 2 1 295.430 3.743 20 0 CHADMP C[C@@H]([NH2+]Cc1ccc(C2CCC2)cc1)c1c[nH+]ccc1N ZINC000423080913 330168865 /nfs/dbraw/zinc/16/88/65/330168865.db2.gz UAAXHYGTCMTHAM-CYBMUJFWSA-N 2 1 281.403 3.612 20 0 CHADMP C[C@@H]([NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000423096441 330169852 /nfs/dbraw/zinc/16/98/52/330169852.db2.gz OVHAQMVZGTVLAW-ODVANORSSA-N 2 1 292.854 3.706 20 0 CHADMP FC1(F)CC[C@H](C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000423100301 330170330 /nfs/dbraw/zinc/17/03/30/330170330.db2.gz VCOZGWHFSZYKOY-NUEKZKHPSA-N 2 1 294.389 3.505 20 0 CHADMP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423157604 330173301 /nfs/dbraw/zinc/17/33/01/330173301.db2.gz BGPQNFDFVNXTLW-CADBVGFASA-N 2 1 286.463 3.894 20 0 CHADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccccc1OC(F)F ZINC000423183395 330175523 /nfs/dbraw/zinc/17/55/23/330175523.db2.gz RPDJZFNNHTTWTJ-GFCCVEGCSA-N 2 1 298.377 3.600 20 0 CHADMP CC[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(C)cc1 ZINC000423188370 330175634 /nfs/dbraw/zinc/17/56/34/330175634.db2.gz NOIURRKICHZTBR-LJQANCHMSA-N 2 1 297.446 3.611 20 0 CHADMP C[NH2+]CCC[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000423198078 330176522 /nfs/dbraw/zinc/17/65/22/330176522.db2.gz CVYQZZYUFPNMOE-QGZVFWFLSA-N 2 1 288.822 3.629 20 0 CHADMP [NH3+]C1(C[NH2+][C@@H]2CCCOc3ccccc32)CCCCCC1 ZINC000423203198 330177077 /nfs/dbraw/zinc/17/70/77/330177077.db2.gz RVGIQVOGABGHQC-MRXNPFEDSA-N 2 1 288.435 3.542 20 0 CHADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(-c2ccccc2)s1 ZINC000423266716 330183953 /nfs/dbraw/zinc/18/39/53/330183953.db2.gz CBYDSYHHNLVKTA-DOMZBBRYSA-N 2 1 286.444 3.803 20 0 CHADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423272887 330184627 /nfs/dbraw/zinc/18/46/27/330184627.db2.gz ZPKOXAXQYXQFAS-RISCZKNCSA-N 2 1 288.357 3.729 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000423271491 330184757 /nfs/dbraw/zinc/18/47/57/330184757.db2.gz XUHSIKISJLTCBN-BLYZHGLHSA-N 2 1 294.405 3.707 20 0 CHADMP [NH3+]C[C@@H]([NH2+][C@H]1CCSc2ccccc21)C1CCCCC1 ZINC000423272127 330184781 /nfs/dbraw/zinc/18/47/81/330184781.db2.gz YNICFBOZTOTMSR-JKSUJKDBSA-N 2 1 290.476 3.721 20 0 CHADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(-c2ccccc2)cc1 ZINC000423272353 330184840 /nfs/dbraw/zinc/18/48/40/330184840.db2.gz HWFBQRPDJJJHIP-LIRRHRJNSA-N 2 1 280.415 3.742 20 0 CHADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc2cc(OC)ccc2c1 ZINC000423275883 330184992 /nfs/dbraw/zinc/18/49/92/330184992.db2.gz MGEBIRIFYCMULV-OALUTQOASA-N 2 1 298.430 3.626 20 0 CHADMP CC(C)Sc1ccc([C@H](C)[NH2+][C@@H](CN)C2CC2)cc1 ZINC000423280152 330185447 /nfs/dbraw/zinc/18/54/47/330185447.db2.gz SHZOGQCCWJGJNV-LRDDRELGSA-N 2 1 278.465 3.575 20 0 CHADMP CC(C)Sc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000423280152 330185448 /nfs/dbraw/zinc/18/54/48/330185448.db2.gz SHZOGQCCWJGJNV-LRDDRELGSA-N 2 1 278.465 3.575 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423289264 330186328 /nfs/dbraw/zinc/18/63/28/330186328.db2.gz WQRBWESUFYVTRU-LLVKDONJSA-N 2 1 288.357 3.874 20 0 CHADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1cccc(OCc2ccccc2)c1 ZINC000423288616 330186473 /nfs/dbraw/zinc/18/64/73/330186473.db2.gz TYWIYAFELCDCIJ-HNNXBMFYSA-N 2 1 298.430 3.654 20 0 CHADMP [NH3+][C@@H](C[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1)C1CC1 ZINC000423313546 330189743 /nfs/dbraw/zinc/18/97/43/330189743.db2.gz FULRGNUZMGMNSP-HOTGVXAUSA-N 2 1 278.827 3.508 20 0 CHADMP C[C@H](C[NH3+])[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000423318178 330190077 /nfs/dbraw/zinc/19/00/77/330190077.db2.gz CUYAEYKGSKBTJQ-DYVFJYSZSA-N 2 1 288.822 3.561 20 0 CHADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(SC2CCCC2)cc1 ZINC000423334694 330191391 /nfs/dbraw/zinc/19/13/91/330191391.db2.gz SJCFDMRBIBKPMK-CHWSQXEVSA-N 2 1 278.465 3.719 20 0 CHADMP CC(C)Sc1ccc([C@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000423339793 330192011 /nfs/dbraw/zinc/19/20/11/330192011.db2.gz WYHXJMVUOYBYTD-ZDUSSCGKSA-N 2 1 278.465 3.719 20 0 CHADMP CCSc1ccccc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000423367688 330194636 /nfs/dbraw/zinc/19/46/36/330194636.db2.gz DOMVSQJMOSCTNV-MELADBBJSA-N 2 1 278.465 3.590 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCSc3c(Cl)cccc32)CC[NH2+]1 ZINC000423370617 330194991 /nfs/dbraw/zinc/19/49/91/330194991.db2.gz GZNCKHMAXZWVEF-SUNKGSAMSA-N 2 1 296.867 3.607 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CC[NH2+]1 ZINC000423368704 330195048 /nfs/dbraw/zinc/19/50/48/330195048.db2.gz FHNWIAQBZXBMCU-IUPBHXKESA-N 2 1 299.245 3.711 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc2cc(Cl)ccc2o1 ZINC000423395300 330200747 /nfs/dbraw/zinc/20/07/47/330200747.db2.gz SNYDAGGUAJZJMN-GYSYKLTISA-N 2 1 292.810 3.877 20 0 CHADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000423444210 330202074 /nfs/dbraw/zinc/20/20/74/330202074.db2.gz LJVRDOWDEZVAJG-OUJBWJOFSA-N 2 1 284.856 3.592 20 0 CHADMP CCCCCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000423450696 330202869 /nfs/dbraw/zinc/20/28/69/330202869.db2.gz UAAWCTJZJIEXNH-KKUMJFAQSA-N 2 1 278.440 3.642 20 0 CHADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(-c2cccs2)cc1 ZINC000423452732 330203221 /nfs/dbraw/zinc/20/32/21/330203221.db2.gz WTONFGYPPBEIPB-AGIUHOORSA-N 2 1 274.433 3.801 20 0 CHADMP CC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000423454759 330203459 /nfs/dbraw/zinc/20/34/59/330203459.db2.gz ZNQHNWFFUQZVJR-RVBZMBCESA-N 2 1 275.223 3.770 20 0 CHADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000423459460 330203957 /nfs/dbraw/zinc/20/39/57/330203957.db2.gz IBQWXGYXYAUTQG-WMLDXEAASA-N 2 1 298.430 3.750 20 0 CHADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000423461083 330204113 /nfs/dbraw/zinc/20/41/13/330204113.db2.gz JHQSEJHIKBIDFD-FZMZJTMJSA-N 2 1 289.448 3.506 20 0 CHADMP CSc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000423509417 330209074 /nfs/dbraw/zinc/20/90/74/330209074.db2.gz JRCCZZNCIFCANA-MLGOLLRUSA-N 2 1 278.465 3.577 20 0 CHADMP CCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)s1 ZINC000538717828 330229758 /nfs/dbraw/zinc/22/97/58/330229758.db2.gz BVCZSAFLFXPLMV-UONOGXRCSA-N 2 1 280.481 3.615 20 0 CHADMP CCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)s1 ZINC000538717828 330229759 /nfs/dbraw/zinc/22/97/59/330229759.db2.gz BVCZSAFLFXPLMV-UONOGXRCSA-N 2 1 280.481 3.615 20 0 CHADMP CCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)s1 ZINC000538717828 330229761 /nfs/dbraw/zinc/22/97/61/330229761.db2.gz BVCZSAFLFXPLMV-UONOGXRCSA-N 2 1 280.481 3.615 20 0 CHADMP CCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)s1 ZINC000538717828 330229762 /nfs/dbraw/zinc/22/97/62/330229762.db2.gz BVCZSAFLFXPLMV-UONOGXRCSA-N 2 1 280.481 3.615 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000536852969 330251083 /nfs/dbraw/zinc/25/10/83/330251083.db2.gz RDNPCMNWDZXMBA-DNVCBOLYSA-N 2 1 297.446 3.959 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527629013 330266700 /nfs/dbraw/zinc/26/67/00/330266700.db2.gz JBWCLCKOAMJJQC-YSSFQJQWSA-N 2 1 298.474 3.675 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(C(C)C)c2)CC1 ZINC000527845968 330287794 /nfs/dbraw/zinc/28/77/94/330287794.db2.gz KZMSRJLNGHSRSD-HNNXBMFYSA-N 2 1 274.452 3.945 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CC23CC3)CC1 ZINC000527847653 330287897 /nfs/dbraw/zinc/28/78/97/330287897.db2.gz HFDHHGUIGBKPGH-LPHOPBHVSA-N 2 1 298.474 3.738 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000533072665 330326861 /nfs/dbraw/zinc/32/68/61/330326861.db2.gz WZBXYBBOSYBNBI-MJGOQNOKSA-N 2 1 288.479 3.774 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000533072665 330326862 /nfs/dbraw/zinc/32/68/62/330326862.db2.gz WZBXYBBOSYBNBI-MJGOQNOKSA-N 2 1 288.479 3.774 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000533072665 330326863 /nfs/dbraw/zinc/32/68/63/330326863.db2.gz WZBXYBBOSYBNBI-MJGOQNOKSA-N 2 1 288.479 3.774 20 0 CHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000044533117 330329770 /nfs/dbraw/zinc/32/97/70/330329770.db2.gz AWDUOWBXJYXDTQ-LSDHHAIUSA-N 2 1 286.419 3.734 20 0 CHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000044533117 330329771 /nfs/dbraw/zinc/32/97/71/330329771.db2.gz AWDUOWBXJYXDTQ-LSDHHAIUSA-N 2 1 286.419 3.734 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc2ccccc21 ZINC000044534672 330329993 /nfs/dbraw/zinc/32/99/93/330329993.db2.gz WCBNBWFIOAITNW-CVEARBPZSA-N 2 1 282.431 3.832 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C1CCC1)C1CCCCC1 ZINC000424276979 330333541 /nfs/dbraw/zinc/33/35/41/330333541.db2.gz ZPCVZOBXXXFJIY-KRWDZBQOSA-N 2 1 275.440 3.530 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C[C@H]1c1ccccc1 ZINC000424287734 330334254 /nfs/dbraw/zinc/33/42/54/330334254.db2.gz HWLIOQIQXBERHF-YRPNKDGESA-N 2 1 298.474 3.848 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C[C@H]1c1ccccc1 ZINC000424287734 330334255 /nfs/dbraw/zinc/33/42/55/330334255.db2.gz HWLIOQIQXBERHF-YRPNKDGESA-N 2 1 298.474 3.848 20 0 CHADMP Cc1ccc(F)c(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000116912443 330361359 /nfs/dbraw/zinc/36/13/59/330361359.db2.gz HHEQKCJMIJGLHO-UHFFFAOYSA-N 2 1 278.415 3.533 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)c(F)c1 ZINC000212707119 330367043 /nfs/dbraw/zinc/36/70/43/330367043.db2.gz VSHSALITIJWGSH-VXGBXAGGSA-N 2 1 296.817 3.614 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)c(F)c1 ZINC000212706985 330367129 /nfs/dbraw/zinc/36/71/29/330367129.db2.gz VSHSALITIJWGSH-NEPJUHHUSA-N 2 1 296.817 3.614 20 0 CHADMP CCCCC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088163829 330374938 /nfs/dbraw/zinc/37/49/38/330374938.db2.gz DXNBLHQMGQXSRT-HNSVSWJLSA-N 2 1 252.446 3.560 20 0 CHADMP CCCCC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088163829 330374939 /nfs/dbraw/zinc/37/49/39/330374939.db2.gz DXNBLHQMGQXSRT-HNSVSWJLSA-N 2 1 252.446 3.560 20 0 CHADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000119728833 330377683 /nfs/dbraw/zinc/37/76/83/330377683.db2.gz HCSAEDQVWWLGTC-KRWDZBQOSA-N 2 1 264.457 3.562 20 0 CHADMP CC1(C)CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000149752573 330577740 /nfs/dbraw/zinc/57/77/40/330577740.db2.gz OCVHKBWBVQZWNS-SFHVURJKSA-N 2 1 286.463 3.819 20 0 CHADMP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)CC(C)C)CC1 ZINC000450870954 331003886 /nfs/dbraw/zinc/00/38/86/331003886.db2.gz MRFLOYXZFGZLGV-OAHLLOKOSA-N 2 1 276.424 3.668 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000451178883 331018865 /nfs/dbraw/zinc/01/88/65/331018865.db2.gz BHEQNWQPYGTBEW-FPAYPSAMSA-N 2 1 286.463 3.737 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000451178883 331018866 /nfs/dbraw/zinc/01/88/66/331018866.db2.gz BHEQNWQPYGTBEW-FPAYPSAMSA-N 2 1 286.463 3.737 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000451178889 331018956 /nfs/dbraw/zinc/01/89/56/331018956.db2.gz BHEQNWQPYGTBEW-RWQQGDIJSA-N 2 1 286.463 3.737 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000451178889 331018957 /nfs/dbraw/zinc/01/89/57/331018957.db2.gz BHEQNWQPYGTBEW-RWQQGDIJSA-N 2 1 286.463 3.737 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1[C@H](C)C[C@@H](c2ccccc2)[C@@H]1C ZINC000451181738 331019126 /nfs/dbraw/zinc/01/91/26/331019126.db2.gz HVRRIVABTOZEAY-JTDSTZFVSA-N 2 1 297.446 3.848 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1[C@H](C)C[C@@H](c2ccccc2)[C@@H]1C ZINC000451181738 331019127 /nfs/dbraw/zinc/01/91/27/331019127.db2.gz HVRRIVABTOZEAY-JTDSTZFVSA-N 2 1 297.446 3.848 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC000452051622 331052247 /nfs/dbraw/zinc/05/22/47/331052247.db2.gz ZNSWBSGLYITVFJ-UHFFFAOYSA-N 2 1 285.435 3.721 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccc(C)c(C)c1 ZINC000452051622 331052248 /nfs/dbraw/zinc/05/22/48/331052248.db2.gz ZNSWBSGLYITVFJ-UHFFFAOYSA-N 2 1 285.435 3.721 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCC[C@H]1c1ccccc1 ZINC000453269250 331109607 /nfs/dbraw/zinc/10/96/07/331109607.db2.gz PJWZOCHFPGIDGJ-YSHGAJCASA-N 2 1 286.463 3.500 20 0 CHADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000453335243 331118344 /nfs/dbraw/zinc/11/83/44/331118344.db2.gz DFVUOJPOEMVNLG-PHSGOXPASA-N 2 1 298.474 3.896 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2sccc21 ZINC000453347667 331120251 /nfs/dbraw/zinc/12/02/51/331120251.db2.gz KXMBHSRZKYTBSX-QAXSNASLSA-N 2 1 290.476 3.901 20 0 CHADMP CC(C)CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccoc1 ZINC000453348684 331120351 /nfs/dbraw/zinc/12/03/51/331120351.db2.gz LEKVTWNIKLYYBB-FBVQUNGASA-N 2 1 290.451 3.972 20 0 CHADMP CC(C)CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccoc1 ZINC000453348684 331120352 /nfs/dbraw/zinc/12/03/52/331120352.db2.gz LEKVTWNIKLYYBB-FBVQUNGASA-N 2 1 290.451 3.972 20 0 CHADMP Cc1cccc(CC[C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000453387841 331126830 /nfs/dbraw/zinc/12/68/30/331126830.db2.gz BJSBHQNVYTUUKZ-QGZVFWFLSA-N 2 1 288.479 3.780 20 0 CHADMP Cc1cccc(CC[C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000453387840 331126871 /nfs/dbraw/zinc/12/68/71/331126871.db2.gz BJSBHQNVYTUUKZ-KRWDZBQOSA-N 2 1 288.479 3.780 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@H]1CC(C)(C)Cc2occc21)C1CC1 ZINC000453392455 331127561 /nfs/dbraw/zinc/12/75/61/331127561.db2.gz FMGHJOZZMAPMDX-INIZCTEOSA-N 2 1 290.451 3.757 20 0 CHADMP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(C)cc1 ZINC000453403480 331129029 /nfs/dbraw/zinc/12/90/29/331129029.db2.gz ONEOSQBOBRMENO-GOSISDBHSA-N 2 1 274.452 3.910 20 0 CHADMP CC(C)c1nc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cs1 ZINC000453409524 331129744 /nfs/dbraw/zinc/12/97/44/331129744.db2.gz UNNUCGHPJOVPOE-ZDUSSCGKSA-N 2 1 295.496 3.792 20 0 CHADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453413915 331130085 /nfs/dbraw/zinc/13/00/85/331130085.db2.gz WUJWBQUYRVLJRO-AWEZNQCLSA-N 2 1 294.870 3.735 20 0 CHADMP C[C@@H]1[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C[C@@H]1c1ccccc1 ZINC000453415019 331130142 /nfs/dbraw/zinc/13/01/42/331130142.db2.gz WYMVIDOWSMRTEF-ZYSHUDEJSA-N 2 1 286.463 3.643 20 0 CHADMP C[C@H](CCC1CCCC1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453417641 331130323 /nfs/dbraw/zinc/13/03/23/331130323.db2.gz XXILDDNGAUKYKA-OAHLLOKOSA-N 2 1 266.473 3.809 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1C ZINC000453437175 331130727 /nfs/dbraw/zinc/13/07/27/331130727.db2.gz VHGJVYSSJWVNII-INIZCTEOSA-N 2 1 274.452 3.828 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000195441383 331173457 /nfs/dbraw/zinc/17/34/57/331173457.db2.gz RHGKROZZSIGBMN-LBPRGKRZSA-N 2 1 291.826 3.579 20 0 CHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(C3CC3)cc2)C1 ZINC000459341882 331276979 /nfs/dbraw/zinc/27/69/79/331276979.db2.gz OTEUHDKUWUWJRN-GOSISDBHSA-N 2 1 298.474 3.728 20 0 CHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000459341882 331276980 /nfs/dbraw/zinc/27/69/80/331276980.db2.gz OTEUHDKUWUWJRN-GOSISDBHSA-N 2 1 298.474 3.728 20 0 CHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000459341882 331276981 /nfs/dbraw/zinc/27/69/81/331276981.db2.gz OTEUHDKUWUWJRN-GOSISDBHSA-N 2 1 298.474 3.728 20 0 CHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC1CCC(F)(F)CC1 ZINC000459359440 331278027 /nfs/dbraw/zinc/27/80/27/331278027.db2.gz QNJLWJYVTTVLSS-HNNXBMFYSA-N 2 1 288.426 3.618 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC1CCC(F)(F)CC1 ZINC000459359440 331278028 /nfs/dbraw/zinc/27/80/28/331278028.db2.gz QNJLWJYVTTVLSS-HNNXBMFYSA-N 2 1 288.426 3.618 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC1CCC(F)(F)CC1 ZINC000459359440 331278029 /nfs/dbraw/zinc/27/80/29/331278029.db2.gz QNJLWJYVTTVLSS-HNNXBMFYSA-N 2 1 288.426 3.618 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CCC(F)(F)CC2)C[C@H]1C ZINC000459372640 331278692 /nfs/dbraw/zinc/27/86/92/331278692.db2.gz ZIKBRORCIYZHQU-UKRRQHHQSA-N 2 1 288.426 3.617 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CCC(F)(F)CC2)C[C@H]1C ZINC000459372640 331278693 /nfs/dbraw/zinc/27/86/93/331278693.db2.gz ZIKBRORCIYZHQU-UKRRQHHQSA-N 2 1 288.426 3.617 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2CCC(F)(F)CC2)C[C@H]1C ZINC000459372640 331278694 /nfs/dbraw/zinc/27/86/94/331278694.db2.gz ZIKBRORCIYZHQU-UKRRQHHQSA-N 2 1 288.426 3.617 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2cccc(Cl)c2)[C@H](C)C1 ZINC000459376895 331279061 /nfs/dbraw/zinc/27/90/61/331279061.db2.gz ODGGLXJCQYDQLE-PBHICJAKSA-N 2 1 294.870 3.545 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2cccc(Cl)c2)[C@H](C)C1 ZINC000459376895 331279062 /nfs/dbraw/zinc/27/90/62/331279062.db2.gz ODGGLXJCQYDQLE-PBHICJAKSA-N 2 1 294.870 3.545 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2cccc(Cl)c2)[C@H](C)C1 ZINC000459376895 331279063 /nfs/dbraw/zinc/27/90/63/331279063.db2.gz ODGGLXJCQYDQLE-PBHICJAKSA-N 2 1 294.870 3.545 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@]1(C)CCCC[C@H]1C ZINC000459605683 331290361 /nfs/dbraw/zinc/29/03/61/331290361.db2.gz DKFIITYDKDMNRM-GDBMZVCRSA-N 2 1 263.429 3.530 20 0 CHADMP CC(C)c1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000459737409 331297145 /nfs/dbraw/zinc/29/71/45/331297145.db2.gz RFHPSYZXIQITNM-QGZVFWFLSA-N 2 1 274.452 3.632 20 0 CHADMP Cc1ccc2[nH]c(C[NH2+]CC[C@@H]3CCC[N@H+](C)C3)cc2c1C ZINC000459777311 331300384 /nfs/dbraw/zinc/30/03/84/331300384.db2.gz KPAWKSMAHKJOKU-INIZCTEOSA-N 2 1 299.462 3.606 20 0 CHADMP Cc1ccc([C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C2CC2)cc1 ZINC000459793960 331301331 /nfs/dbraw/zinc/30/13/31/331301331.db2.gz UFZLTPDMIGUABY-QFBILLFUSA-N 2 1 286.463 3.768 20 0 CHADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459797929 331301550 /nfs/dbraw/zinc/30/15/50/331301550.db2.gz XGHOEMKGIJKEBM-OALUTQOASA-N 2 1 288.479 3.638 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2c3ccccc3CCC[C@H]2C)CC1 ZINC000462837366 331332165 /nfs/dbraw/zinc/33/21/65/331332165.db2.gz GWCJRBIWISSLOR-BEFAXECRSA-N 2 1 286.463 3.774 20 0 CHADMP CC[NH+](CC)[C@@H](C)C[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000510685151 332911579 /nfs/dbraw/zinc/91/15/79/332911579.db2.gz JVLSTRQBBUOFAZ-KGLIPLIRSA-N 2 1 298.421 3.606 20 0 CHADMP CC[C@H](C[NH2+][C@@H](C)C1CCC(F)(F)CC1)[NH+]1CCCC1 ZINC000474058983 331566553 /nfs/dbraw/zinc/56/65/53/331566553.db2.gz OKLPMLUSVUEAPC-DZGCQCFKSA-N 2 1 288.426 3.664 20 0 CHADMP C[C@H](CCC(F)(F)F)[NH2+][C@H](C)C[NH+]1CCCCCC1 ZINC000480699253 331785202 /nfs/dbraw/zinc/78/52/02/331785202.db2.gz OPPJOMKKRQTSHE-CHWSQXEVSA-N 2 1 280.378 3.572 20 0 CHADMP C[C@@H]1C[C@@H]1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000488345890 332001133 /nfs/dbraw/zinc/00/11/33/332001133.db2.gz FLCXXOXLKYTLLD-UKBAYJJMSA-N 2 1 286.463 3.627 20 0 CHADMP C[C@@H]1C[C@@H]1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000488345890 332001134 /nfs/dbraw/zinc/00/11/34/332001134.db2.gz FLCXXOXLKYTLLD-UKBAYJJMSA-N 2 1 286.463 3.627 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000488345890 332001136 /nfs/dbraw/zinc/00/11/36/332001136.db2.gz FLCXXOXLKYTLLD-UKBAYJJMSA-N 2 1 286.463 3.627 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000488345890 332001138 /nfs/dbraw/zinc/00/11/38/332001138.db2.gz FLCXXOXLKYTLLD-UKBAYJJMSA-N 2 1 286.463 3.627 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000488449048 332010056 /nfs/dbraw/zinc/01/00/56/332010056.db2.gz OMGVIBYKJAIXSW-OAGGEKHMSA-N 2 1 298.540 3.617 20 0 CHADMP CC[C@]1(C)CC[NH+](CCC[N@@H+]2CC[C@@](C)(CC)C2)C1 ZINC000489297756 332045973 /nfs/dbraw/zinc/04/59/73/332045973.db2.gz VOXANJWXDKMFNV-IAGOWNOFSA-N 2 1 266.473 3.621 20 0 CHADMP C[C@H](c1ccc2c(c1)CCC2)[N@@H+](C)C[C@H]1CCCN(C)C1 ZINC000489845906 332069720 /nfs/dbraw/zinc/06/97/20/332069720.db2.gz ZKEIUONXRBLUJF-CVEARBPZSA-N 2 1 286.463 3.510 20 0 CHADMP C[C@H](c1ccc2c(c1)CCC2)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000489845906 332069721 /nfs/dbraw/zinc/06/97/21/332069721.db2.gz ZKEIUONXRBLUJF-CVEARBPZSA-N 2 1 286.463 3.510 20 0 CHADMP C[C@H](c1ccc2c(c1)CCC2)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000489845906 332069723 /nfs/dbraw/zinc/06/97/23/332069723.db2.gz ZKEIUONXRBLUJF-CVEARBPZSA-N 2 1 286.463 3.510 20 0 CHADMP C[C@H](c1ccc2c(c1)CCC2)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000489845906 332069724 /nfs/dbraw/zinc/06/97/24/332069724.db2.gz ZKEIUONXRBLUJF-CVEARBPZSA-N 2 1 286.463 3.510 20 0 CHADMP C[C@H](c1ccc2c(c1)CCC2)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000489845906 332069726 /nfs/dbraw/zinc/06/97/26/332069726.db2.gz ZKEIUONXRBLUJF-CVEARBPZSA-N 2 1 286.463 3.510 20 0 CHADMP Cc1ccc([C@@H]2C[C@H](C)[N@H+](CC[C@H]3CCC[NH+]3C)C2)cc1 ZINC000490033634 332077535 /nfs/dbraw/zinc/07/75/35/332077535.db2.gz PYPDPMCFNMADKI-QXAKKESOSA-N 2 1 286.463 3.657 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC000490042998 332078171 /nfs/dbraw/zinc/07/81/71/332078171.db2.gz PIINYIGNAZOPAH-QFBILLFUSA-N 2 1 297.446 3.768 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC000490042998 332078173 /nfs/dbraw/zinc/07/81/73/332078173.db2.gz PIINYIGNAZOPAH-QFBILLFUSA-N 2 1 297.446 3.768 20 0 CHADMP C[NH+](C)C1(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)CCCCC1 ZINC000503212160 332684096 /nfs/dbraw/zinc/68/40/96/332684096.db2.gz NFWVUYRIWZHVRJ-MSOLQXFVSA-N 2 1 286.463 3.644 20 0 CHADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Cl)c(Cl)c1 ZINC000401770549 332759317 /nfs/dbraw/zinc/75/93/17/332759317.db2.gz DEEKPVUTRGHGRE-JTQLQIEISA-N 2 1 298.217 3.620 20 0 CHADMP CCc1ccc([C@H]2CCC[N@@H+](CCCn3ccnc3)C2)cc1 ZINC000513373344 333015881 /nfs/dbraw/zinc/01/58/81/333015881.db2.gz YJCRIIDTKILXMG-IBGZPJMESA-N 2 1 297.446 3.715 20 0 CHADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000513702674 333033669 /nfs/dbraw/zinc/03/36/69/333033669.db2.gz LPOAWJBJJRUBPJ-NXWXRZEISA-N 2 1 286.463 3.643 20 0 CHADMP C[C@@H]([NH2+]CC1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309684557 333047053 /nfs/dbraw/zinc/04/70/53/333047053.db2.gz AMDYVXMJIBGBBB-VQIMIIECSA-N 2 1 286.463 3.677 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309681509 333047172 /nfs/dbraw/zinc/04/71/72/333047172.db2.gz ASKYQNGKGNPEAR-LSTDLKDCSA-N 2 1 288.479 3.921 20 0 CHADMP C[C@H]([NH2+]CC1(C)CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309891752 333050953 /nfs/dbraw/zinc/05/09/53/333050953.db2.gz DXAQSIRNLHVEFL-WMZOPIPTSA-N 2 1 286.463 3.677 20 0 CHADMP CC(C)[NH+]1CCC([N@H+](C)C/C=C\c2ccccc2)CC1 ZINC000514008801 333059972 /nfs/dbraw/zinc/05/99/72/333059972.db2.gz RJRAVEPAOMBLOX-YFHOEESVSA-N 2 1 272.436 3.504 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)C/C=C\c2ccccc2)CC1 ZINC000514008801 333059973 /nfs/dbraw/zinc/05/99/73/333059973.db2.gz RJRAVEPAOMBLOX-YFHOEESVSA-N 2 1 272.436 3.504 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000514077357 333065087 /nfs/dbraw/zinc/06/50/87/333065087.db2.gz PSZOSIALXXLHOR-SJLPKXTDSA-N 2 1 274.452 3.596 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1c1ccccc1C ZINC000514079642 333065404 /nfs/dbraw/zinc/06/54/04/333065404.db2.gz HOTXKIWQEPPMFX-GOSISDBHSA-N 2 1 274.452 3.864 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CC=CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183102126 333119226 /nfs/dbraw/zinc/11/92/26/333119226.db2.gz LQSQOFQRMGBBTK-YESZJQIVSA-N 2 1 276.468 3.585 20 0 CHADMP Cc1cccc([C@@H]2CC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)c1 ZINC000564157470 333124796 /nfs/dbraw/zinc/12/47/96/333124796.db2.gz OYHINVOFYJFREF-RTBURBONSA-N 2 1 286.463 3.659 20 0 CHADMP C[C@@H](CCC1CC1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000186248623 333157489 /nfs/dbraw/zinc/15/74/89/333157489.db2.gz ZLSNZIZHPIBZFO-CVEARBPZSA-N 2 1 266.473 3.667 20 0 CHADMP COc1ccsc1[C@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000186287883 333158296 /nfs/dbraw/zinc/15/82/96/333158296.db2.gz NEECNVVZMHWESD-ZDUSSCGKSA-N 2 1 296.480 3.529 20 0 CHADMP CC(C)(C)C[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000521841656 333192859 /nfs/dbraw/zinc/19/28/59/333192859.db2.gz YOZQEFVJGLNRDS-MRXNPFEDSA-N 2 1 266.473 3.667 20 0 CHADMP CCCc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000172843961 335123251 /nfs/dbraw/zinc/12/32/51/335123251.db2.gz UMNVSWOVYZLOCA-QAPCUYQASA-N 2 1 274.452 3.554 20 0 CHADMP CCCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000172843961 335123252 /nfs/dbraw/zinc/12/32/52/335123252.db2.gz UMNVSWOVYZLOCA-QAPCUYQASA-N 2 1 274.452 3.554 20 0 CHADMP CCCc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000172843961 335123253 /nfs/dbraw/zinc/12/32/53/335123253.db2.gz UMNVSWOVYZLOCA-QAPCUYQASA-N 2 1 274.452 3.554 20 0 CHADMP CCCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000172843961 335123254 /nfs/dbraw/zinc/12/32/54/335123254.db2.gz UMNVSWOVYZLOCA-QAPCUYQASA-N 2 1 274.452 3.554 20 0 CHADMP CCc1ccc([C@H](CC)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000224111249 333216955 /nfs/dbraw/zinc/21/69/55/333216955.db2.gz KPIIDHVZCXHACW-WBAXXEDZSA-N 2 1 274.452 3.772 20 0 CHADMP CCc1ccc([C@H](CC)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000224111249 333216956 /nfs/dbraw/zinc/21/69/56/333216956.db2.gz KPIIDHVZCXHACW-WBAXXEDZSA-N 2 1 274.452 3.772 20 0 CHADMP C[C@@H](NCCC[N@H+]1CCCC[C@@H]1C)c1cc(F)cc(F)c1 ZINC000227552510 333285607 /nfs/dbraw/zinc/28/56/07/333285607.db2.gz HBEBFJISJCRQKI-UONOGXRCSA-N 2 1 296.405 3.880 20 0 CHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cc(F)cc(F)c1 ZINC000227552510 333285608 /nfs/dbraw/zinc/28/56/08/333285608.db2.gz HBEBFJISJCRQKI-UONOGXRCSA-N 2 1 296.405 3.880 20 0 CHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cc(F)cc(F)c1 ZINC000227552510 333285609 /nfs/dbraw/zinc/28/56/09/333285609.db2.gz HBEBFJISJCRQKI-UONOGXRCSA-N 2 1 296.405 3.880 20 0 CHADMP Clc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000250072263 333302095 /nfs/dbraw/zinc/30/20/95/333302095.db2.gz AAOIDJQNCNARCJ-DJIMGWMZSA-N 2 1 292.854 3.740 20 0 CHADMP CC(C)(C)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000250367997 333304673 /nfs/dbraw/zinc/30/46/73/333304673.db2.gz QZAFOWNHQHTNAD-KBPBESRZSA-N 2 1 292.492 3.762 20 0 CHADMP CCc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000250442161 333305284 /nfs/dbraw/zinc/30/52/84/333305284.db2.gz QYGXORHLFUMFMI-IHRRRGAJSA-N 2 1 278.465 3.588 20 0 CHADMP CC(C)[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000232714570 333341212 /nfs/dbraw/zinc/34/12/12/333341212.db2.gz LAMGQYPKFYJVFS-QFBILLFUSA-N 2 1 286.463 3.500 20 0 CHADMP CC(C)[C@@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000232717719 333341511 /nfs/dbraw/zinc/34/15/11/333341511.db2.gz LAMGQYPKFYJVFS-VQIMIIECSA-N 2 1 286.463 3.500 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC2CCCCC2)CC1 ZINC000524156182 333354704 /nfs/dbraw/zinc/35/47/04/333354704.db2.gz QSPOELUGEILSNH-UHFFFAOYSA-N 2 1 266.473 3.619 20 0 CHADMP C[N@@H+](Cc1ccc(C(C)(C)C)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000234316103 333359623 /nfs/dbraw/zinc/35/96/23/333359623.db2.gz RGRTYIZBVAGVIN-QGZVFWFLSA-N 2 1 274.452 3.558 20 0 CHADMP CCCC1CCC([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)CC1 ZINC000236798336 333375708 /nfs/dbraw/zinc/37/57/08/333375708.db2.gz XXGSJQJURJFPLY-ODIFPOPNSA-N 2 1 277.456 3.776 20 0 CHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCC(F)(F)F)C1 ZINC000524892234 333391964 /nfs/dbraw/zinc/39/19/64/333391964.db2.gz KWGPMGYVSKINGB-KBPBESRZSA-N 2 1 292.389 3.525 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3ccccc3c2)C1 ZINC000173898136 335143026 /nfs/dbraw/zinc/14/30/26/335143026.db2.gz JIGAXFJXUIQXKY-KRWDZBQOSA-N 2 1 282.431 3.613 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000173898136 335143027 /nfs/dbraw/zinc/14/30/27/335143027.db2.gz JIGAXFJXUIQXKY-KRWDZBQOSA-N 2 1 282.431 3.613 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000173898136 335143029 /nfs/dbraw/zinc/14/30/29/335143029.db2.gz JIGAXFJXUIQXKY-KRWDZBQOSA-N 2 1 282.431 3.613 20 0 CHADMP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530178560 333526941 /nfs/dbraw/zinc/52/69/41/333526941.db2.gz MFVBALJWYBYIPA-YPMHNXCESA-N 2 1 298.883 3.597 20 0 CHADMP C[NH+]1CCC([NH2+][C@H]2C[C@@H]3CCC(C)(C)c4cccc2c43)CC1 ZINC000538457728 333593769 /nfs/dbraw/zinc/59/37/69/333593769.db2.gz DMCDBEMFPYSMOW-KSSFIOAISA-N 2 1 298.474 3.970 20 0 CHADMP CC(C)[NH+](CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C(C)C ZINC000069376342 333758257 /nfs/dbraw/zinc/75/82/57/333758257.db2.gz VZHHTQQIOKEXNS-UONOGXRCSA-N 2 1 294.405 3.816 20 0 CHADMP C[C@H](CC[NH2+][C@H](C)c1ccc(F)c(F)c1)[NH+]1CCCCC1 ZINC000542486437 333827614 /nfs/dbraw/zinc/82/76/14/333827614.db2.gz IUZQCPYKWBVHPN-ZIAGYGMSSA-N 2 1 296.405 3.880 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000076001555 334065930 /nfs/dbraw/zinc/06/59/30/334065930.db2.gz NGXXPTWTQRWAJC-LSDHHAIUSA-N 2 1 278.415 3.550 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000076001555 334065931 /nfs/dbraw/zinc/06/59/31/334065931.db2.gz NGXXPTWTQRWAJC-LSDHHAIUSA-N 2 1 278.415 3.550 20 0 CHADMP C[N@H+](Cc1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109872 334073006 /nfs/dbraw/zinc/07/30/06/334073006.db2.gz SJUFAEYWDUJXNJ-HXUWFJFHSA-N 2 1 294.442 3.641 20 0 CHADMP C[NH+](Cc1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109872 334073007 /nfs/dbraw/zinc/07/30/07/334073007.db2.gz SJUFAEYWDUJXNJ-HXUWFJFHSA-N 2 1 294.442 3.641 20 0 CHADMP C[NH+](Cc1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109872 334073008 /nfs/dbraw/zinc/07/30/08/334073008.db2.gz SJUFAEYWDUJXNJ-HXUWFJFHSA-N 2 1 294.442 3.641 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CC2CCC(C(C)(C)C)CC2)CC[N@H+]1C ZINC000135691829 334136475 /nfs/dbraw/zinc/13/64/75/334136475.db2.gz ODMGJLZSCRUVOY-VXLLPVPCSA-N 2 1 280.500 3.911 20 0 CHADMP CC(C)[C@H](C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000081047499 334177520 /nfs/dbraw/zinc/17/75/20/334177520.db2.gz FAHOFAKJDFVDBA-QGZVFWFLSA-N 2 1 288.479 3.575 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000549033979 334182928 /nfs/dbraw/zinc/18/29/28/334182928.db2.gz NSQXROVRPJHERK-XZEJUNMKSA-N 2 1 298.474 3.675 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000549033979 334182929 /nfs/dbraw/zinc/18/29/29/334182929.db2.gz NSQXROVRPJHERK-XZEJUNMKSA-N 2 1 298.474 3.675 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CCc1ccc(C(C)C)cc1 ZINC000138020354 334187408 /nfs/dbraw/zinc/18/74/08/334187408.db2.gz KNWONMNHBASAOC-INIZCTEOSA-N 2 1 299.462 3.783 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000245466512 334195548 /nfs/dbraw/zinc/19/55/48/334195548.db2.gz REFQATBVWKJFHR-DLBZAZTESA-N 2 1 274.452 3.992 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000245513710 334199054 /nfs/dbraw/zinc/19/90/54/334199054.db2.gz DLFCCGNRGGPMMF-BRWVUGGUSA-N 2 1 266.473 3.523 20 0 CHADMP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246930180 334272105 /nfs/dbraw/zinc/27/21/05/334272105.db2.gz GZXSBOCOCKJLMQ-NXOAAHMSSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246930180 334272107 /nfs/dbraw/zinc/27/21/07/334272107.db2.gz GZXSBOCOCKJLMQ-NXOAAHMSSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2F)C1 ZINC000246964659 334272753 /nfs/dbraw/zinc/27/27/53/334272753.db2.gz JABDJOSNGWZGHA-ZIAGYGMSSA-N 2 1 296.405 3.736 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2F)C1 ZINC000246964659 334272754 /nfs/dbraw/zinc/27/27/54/334272754.db2.gz JABDJOSNGWZGHA-ZIAGYGMSSA-N 2 1 296.405 3.736 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000246978864 334273082 /nfs/dbraw/zinc/27/30/82/334273082.db2.gz JXVPBUMZWCKRET-JXFKEZNVSA-N 2 1 296.458 3.702 20 0 CHADMP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000245755890 334217456 /nfs/dbraw/zinc/21/74/56/334217456.db2.gz UVGBAIVMBMYQEI-BRWVUGGUSA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(F)c2F)C1 ZINC000245890183 334222918 /nfs/dbraw/zinc/22/29/18/334222918.db2.gz MCGVOMLGOINEGE-KGLIPLIRSA-N 2 1 296.405 3.736 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(F)c2F)C1 ZINC000245890183 334222920 /nfs/dbraw/zinc/22/29/20/334222920.db2.gz MCGVOMLGOINEGE-KGLIPLIRSA-N 2 1 296.405 3.736 20 0 CHADMP C[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000247019000 334274059 /nfs/dbraw/zinc/27/40/59/334274059.db2.gz XTZWKGISYXFYJC-POAQFYNOSA-N 2 1 298.474 3.739 20 0 CHADMP C[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000247019000 334274060 /nfs/dbraw/zinc/27/40/60/334274060.db2.gz XTZWKGISYXFYJC-POAQFYNOSA-N 2 1 298.474 3.739 20 0 CHADMP C[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000247019000 334274061 /nfs/dbraw/zinc/27/40/61/334274061.db2.gz XTZWKGISYXFYJC-POAQFYNOSA-N 2 1 298.474 3.739 20 0 CHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc3ccccc3o2)C1 ZINC000247052806 334274663 /nfs/dbraw/zinc/27/46/63/334274663.db2.gz NIIXPEJQUXOAKF-CABCVRRESA-N 2 1 286.419 3.815 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc3ccccc3o2)C1 ZINC000247052806 334274665 /nfs/dbraw/zinc/27/46/65/334274665.db2.gz NIIXPEJQUXOAKF-CABCVRRESA-N 2 1 286.419 3.815 20 0 CHADMP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551084326 334238036 /nfs/dbraw/zinc/23/80/36/334238036.db2.gz WYFYDWQDNRHSNL-BDXSIMOUSA-N 2 1 272.436 3.600 20 0 CHADMP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551084326 334238037 /nfs/dbraw/zinc/23/80/37/334238037.db2.gz WYFYDWQDNRHSNL-BDXSIMOUSA-N 2 1 272.436 3.600 20 0 CHADMP CCC1CC([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)C1 ZINC000551525444 334252613 /nfs/dbraw/zinc/25/26/13/334252613.db2.gz FYQQOBGMMDIXFZ-UHFFFAOYSA-N 2 1 274.452 3.805 20 0 CHADMP Cc1cc(C)c(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000246607112 334265125 /nfs/dbraw/zinc/26/51/25/334265125.db2.gz GKWSYLULHNPAAP-DLBZAZTESA-N 2 1 274.452 3.526 20 0 CHADMP Cc1cc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000246607112 334265126 /nfs/dbraw/zinc/26/51/26/334265126.db2.gz GKWSYLULHNPAAP-DLBZAZTESA-N 2 1 274.452 3.526 20 0 CHADMP Cc1cc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(C)c1 ZINC000246607112 334265127 /nfs/dbraw/zinc/26/51/27/334265127.db2.gz GKWSYLULHNPAAP-DLBZAZTESA-N 2 1 274.452 3.526 20 0 CHADMP Cc1cc(C)c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(C)c1 ZINC000246607112 334265129 /nfs/dbraw/zinc/26/51/29/334265129.db2.gz GKWSYLULHNPAAP-DLBZAZTESA-N 2 1 274.452 3.526 20 0 CHADMP Cc1cc(C)c(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000246607119 334265190 /nfs/dbraw/zinc/26/51/90/334265190.db2.gz GKWSYLULHNPAAP-IRXDYDNUSA-N 2 1 274.452 3.526 20 0 CHADMP Cc1cc(C)c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000246607119 334265192 /nfs/dbraw/zinc/26/51/92/334265192.db2.gz GKWSYLULHNPAAP-IRXDYDNUSA-N 2 1 274.452 3.526 20 0 CHADMP Cc1cc(C)c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(C)c1 ZINC000246607119 334265194 /nfs/dbraw/zinc/26/51/94/334265194.db2.gz GKWSYLULHNPAAP-IRXDYDNUSA-N 2 1 274.452 3.526 20 0 CHADMP Cc1cc(C)c(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(C)c1 ZINC000246607119 334265196 /nfs/dbraw/zinc/26/51/96/334265196.db2.gz GKWSYLULHNPAAP-IRXDYDNUSA-N 2 1 274.452 3.526 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2[C@H](C)CCC[C@H]2C)C1 ZINC000246890574 334271348 /nfs/dbraw/zinc/27/13/48/334271348.db2.gz DSBLMZVARJDDFT-BZUAXINKSA-N 2 1 266.473 3.521 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc(C)cc2)[C@@H](C)C1 ZINC000247165216 334276861 /nfs/dbraw/zinc/27/68/61/334276861.db2.gz YCAUYRBPZIFDDK-WMZOPIPTSA-N 2 1 288.479 3.593 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000552099643 334289837 /nfs/dbraw/zinc/28/98/37/334289837.db2.gz PRMWARMQLTXCTA-BVBHFADKSA-N 2 1 286.463 3.643 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000552099643 334289838 /nfs/dbraw/zinc/28/98/38/334289838.db2.gz PRMWARMQLTXCTA-BVBHFADKSA-N 2 1 286.463 3.643 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000248168576 334296433 /nfs/dbraw/zinc/29/64/33/334296433.db2.gz UGEAZMBLOCARSM-IIDMSEBBSA-N 2 1 272.436 3.556 20 0 CHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000248412962 334300657 /nfs/dbraw/zinc/30/06/57/334300657.db2.gz KLWSNYSXZKFAJO-HZPDHXFCSA-N 2 1 260.425 3.602 20 0 CHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCc3occc32)C1 ZINC000248877623 334320416 /nfs/dbraw/zinc/32/04/16/334320416.db2.gz JTMBPZWVAHTFEE-RDJZCZTQSA-N 2 1 290.451 3.759 20 0 CHADMP C[C@H](CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)CC(C)(C)C ZINC000249046437 334325559 /nfs/dbraw/zinc/32/55/59/334325559.db2.gz FEANMLREAKOAAN-OAGGEKHMSA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000552580091 334337449 /nfs/dbraw/zinc/33/74/49/334337449.db2.gz PJGKDHJRSZDOFX-MRRJBJDNSA-N 2 1 296.405 3.734 20 0 CHADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000552580091 334337450 /nfs/dbraw/zinc/33/74/50/334337450.db2.gz PJGKDHJRSZDOFX-MRRJBJDNSA-N 2 1 296.405 3.734 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](c2ccccc2)CC1 ZINC000089427207 334344975 /nfs/dbraw/zinc/34/49/75/334344975.db2.gz XIXQHQXYKPJGBN-RBUKOAKNSA-N 2 1 286.463 3.740 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000089427207 334344976 /nfs/dbraw/zinc/34/49/76/334344976.db2.gz XIXQHQXYKPJGBN-RBUKOAKNSA-N 2 1 286.463 3.740 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000089427207 334344977 /nfs/dbraw/zinc/34/49/77/334344977.db2.gz XIXQHQXYKPJGBN-RBUKOAKNSA-N 2 1 286.463 3.740 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C)cc1 ZINC000251046099 334355123 /nfs/dbraw/zinc/35/51/23/334355123.db2.gz DUJCYCFUMVHHDO-BZSNNMDCSA-N 2 1 272.436 3.663 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)Cc2ccccc2)[C@H](C)C1 ZINC000090015895 334355801 /nfs/dbraw/zinc/35/58/01/334355801.db2.gz IMJJEJJLKQLKDT-SJLPKXTDSA-N 2 1 288.479 3.575 20 0 CHADMP CC(C)C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000251383846 334360494 /nfs/dbraw/zinc/36/04/94/334360494.db2.gz IEDOGMLVVNUSIJ-QYZOEREBSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(F)c(F)c1 ZINC000251608579 334365534 /nfs/dbraw/zinc/36/55/34/334365534.db2.gz BZPFLHSIXPHXQS-ZIAGYGMSSA-N 2 1 296.405 3.880 20 0 CHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(F)c(F)c1 ZINC000251608579 334365536 /nfs/dbraw/zinc/36/55/36/334365536.db2.gz BZPFLHSIXPHXQS-ZIAGYGMSSA-N 2 1 296.405 3.880 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(C)cc2)C2CC2)C1 ZINC000091305945 334375747 /nfs/dbraw/zinc/37/57/47/334375747.db2.gz ANOQLZNYPUDACM-APWZRJJASA-N 2 1 286.463 3.768 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000091333254 334376454 /nfs/dbraw/zinc/37/64/54/334376454.db2.gz SLBAPKIMAPXUNV-APWZRJJASA-N 2 1 286.463 3.848 20 0 CHADMP c1ccc2c(c1)cccc2C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252675204 334385087 /nfs/dbraw/zinc/38/50/87/334385087.db2.gz YEBHGXOGWBBTCD-MSOLQXFVSA-N 2 1 280.415 3.556 20 0 CHADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252875240 334398252 /nfs/dbraw/zinc/39/82/52/334398252.db2.gz VOVIANUQEVYEBY-QOFRNUMZSA-N 2 1 296.817 3.599 20 0 CHADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cc3c(s2)CCCC3)c2ccccc21 ZINC000564824760 334522541 /nfs/dbraw/zinc/52/25/41/334522541.db2.gz VBBNATBAMAZMOZ-IAGOWNOFSA-N 2 1 298.455 3.861 20 0 CHADMP CCCC[C@@H](C)[C@@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000566525301 334654181 /nfs/dbraw/zinc/65/41/81/334654181.db2.gz LRENMDKWOHGARE-IAGOWNOFSA-N 2 1 298.515 3.680 20 0 CHADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1cccc(Cl)c1 ZINC000266875353 334693834 /nfs/dbraw/zinc/69/38/34/334693834.db2.gz OAQNFBPIBNKHHB-OAHLLOKOSA-N 2 1 277.799 3.586 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000267253002 334696110 /nfs/dbraw/zinc/69/61/10/334696110.db2.gz ONYGJCQQNDQRKK-KRWDZBQOSA-N 2 1 271.408 3.569 20 0 CHADMP C[N@@H+](CCCC1CCCCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000577146063 335308371 /nfs/dbraw/zinc/30/83/71/335308371.db2.gz UQPJGKLSOHVBMA-KRWDZBQOSA-N 2 1 266.473 3.621 20 0 CHADMP C[NH+](CCCC1CCCCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000577146063 335308373 /nfs/dbraw/zinc/30/83/73/335308373.db2.gz UQPJGKLSOHVBMA-KRWDZBQOSA-N 2 1 266.473 3.621 20 0 CHADMP C[NH+](CCCC1CCCCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000577146063 335308374 /nfs/dbraw/zinc/30/83/74/335308374.db2.gz UQPJGKLSOHVBMA-KRWDZBQOSA-N 2 1 266.473 3.621 20 0 CHADMP C[C@@H]1C[C@@H](CC[NH2+]CC2(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000577328107 335339222 /nfs/dbraw/zinc/33/92/22/335339222.db2.gz ONFLQNDNDJTHII-SJLPKXTDSA-N 2 1 286.463 3.677 20 0 CHADMP CCSCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183140915 335865260 /nfs/dbraw/zinc/86/52/60/335865260.db2.gz UGXLZGDZTAQKGX-ZDUSSCGKSA-N 2 1 289.448 3.584 20 0 CHADMP CC(C)[NH2+]CCC[NH2+][C@@H](c1cc(F)ccc1F)C(C)C ZINC000579941946 335932801 /nfs/dbraw/zinc/93/28/01/335932801.db2.gz PUEOGYGGCQZGTI-MRXNPFEDSA-N 2 1 284.394 3.640 20 0 CHADMP CSCC1CCC([NH2+]CC[NH+](C(C)C)C(C)C)CC1 ZINC000385521686 336150794 /nfs/dbraw/zinc/15/07/94/336150794.db2.gz IIYWGVPUBPTABS-UHFFFAOYSA-N 2 1 286.529 3.617 20 0 CHADMP CC(C)CC[C@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C1CC1 ZINC000386407721 336172375 /nfs/dbraw/zinc/17/23/75/336172375.db2.gz XNGNCDUMTVEOGL-HOCLYGCPSA-N 2 1 254.462 3.520 20 0 CHADMP CC(C)CC[C@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1CC1 ZINC000386407721 336172376 /nfs/dbraw/zinc/17/23/76/336172376.db2.gz XNGNCDUMTVEOGL-HOCLYGCPSA-N 2 1 254.462 3.520 20 0 CHADMP CC(C)CC[C@@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C1CC1 ZINC000386407716 336172412 /nfs/dbraw/zinc/17/24/12/336172412.db2.gz XNGNCDUMTVEOGL-GDBMZVCRSA-N 2 1 254.462 3.520 20 0 CHADMP CC(C)CC[C@@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C1CC1 ZINC000386407716 336172413 /nfs/dbraw/zinc/17/24/13/336172413.db2.gz XNGNCDUMTVEOGL-GDBMZVCRSA-N 2 1 254.462 3.520 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000386454540 336175326 /nfs/dbraw/zinc/17/53/26/336175326.db2.gz HLBOKMQAXXQIJB-CQSZACIVSA-N 2 1 285.435 3.840 20 0 CHADMP CCC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccsc1 ZINC000276146917 520771632 /nfs/dbraw/zinc/77/16/32/520771632.db2.gz DGSGEHJSTUXULO-OAHLLOKOSA-N 2 1 266.454 3.663 20 0 CHADMP C1=C(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000120160909 518574472 /nfs/dbraw/zinc/57/44/72/518574472.db2.gz OPXADCIKKAONJG-UHFFFAOYSA-N 2 1 284.447 3.741 20 0 CHADMP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000130122905 519781985 /nfs/dbraw/zinc/78/19/85/519781985.db2.gz MIIDCWDURZPSBY-VYDXJSESSA-N 2 1 290.451 3.607 20 0 CHADMP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000130122905 519781986 /nfs/dbraw/zinc/78/19/86/519781986.db2.gz MIIDCWDURZPSBY-VYDXJSESSA-N 2 1 290.451 3.607 20 0 CHADMP CCC[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000278984661 520779064 /nfs/dbraw/zinc/77/90/64/520779064.db2.gz PHPDCVHJZMVCOC-NVXWUHKLSA-N 2 1 283.419 3.577 20 0 CHADMP CC[C@@H](C)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000339407571 521986141 /nfs/dbraw/zinc/98/61/41/521986141.db2.gz PJBGPZYOEOCWOH-ZBFHGGJFSA-N 2 1 292.492 3.738 20 0 CHADMP [NH3+]CCC[N@H+](Cc1ccc2ncccc2c1)CC1CCCC1 ZINC000352540814 534607772 /nfs/dbraw/zinc/60/77/72/534607772.db2.gz PTXJJTZUVJADAJ-UHFFFAOYSA-N 2 1 297.446 3.576 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000129625911 522754548 /nfs/dbraw/zinc/75/45/48/522754548.db2.gz OKKDMGPFEUHTQZ-KCXAZCMYSA-N 2 1 280.843 3.863 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000129625911 522754560 /nfs/dbraw/zinc/75/45/60/522754560.db2.gz OKKDMGPFEUHTQZ-KCXAZCMYSA-N 2 1 280.843 3.863 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339425636 522947995 /nfs/dbraw/zinc/94/79/95/522947995.db2.gz GCQDWSWJBUWGNT-QZTJIDSGSA-N 2 1 272.436 3.555 20 0 CHADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339425636 522947998 /nfs/dbraw/zinc/94/79/98/522947998.db2.gz GCQDWSWJBUWGNT-QZTJIDSGSA-N 2 1 272.436 3.555 20 0 CHADMP CC[C@H](c1ccccc1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339425636 522947999 /nfs/dbraw/zinc/94/79/99/522947999.db2.gz GCQDWSWJBUWGNT-QZTJIDSGSA-N 2 1 272.436 3.555 20 0 CHADMP CC[C@H](c1ccccc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339425636 522948001 /nfs/dbraw/zinc/94/80/01/522948001.db2.gz GCQDWSWJBUWGNT-QZTJIDSGSA-N 2 1 272.436 3.555 20 0 CHADMP C[N@@H+](Cc1ccc(C(C)(C)C)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746602 523214773 /nfs/dbraw/zinc/21/47/73/523214773.db2.gz WFFNXPWKJKRMTI-JWTNVVGKSA-N 2 1 286.463 3.699 20 0 CHADMP C[N@@H+](Cc1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746528 523283334 /nfs/dbraw/zinc/28/33/34/523283334.db2.gz OGRBFJBYUHKIGU-DFNIBXOVSA-N 2 1 280.415 3.555 20 0 CHADMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)C2)C1 ZINC000292810261 523996260 /nfs/dbraw/zinc/99/62/60/523996260.db2.gz OQBHQDWFKPPIHP-AQNXPRMDSA-N 2 1 298.474 3.524 20 0 CHADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)C2)C1 ZINC000292810261 523996262 /nfs/dbraw/zinc/99/62/62/523996262.db2.gz OQBHQDWFKPPIHP-AQNXPRMDSA-N 2 1 298.474 3.524 20 0 CHADMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)C2)C1 ZINC000292810261 523996263 /nfs/dbraw/zinc/99/62/63/523996263.db2.gz OQBHQDWFKPPIHP-AQNXPRMDSA-N 2 1 298.474 3.524 20 0 CHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccco3)cc2)C1 ZINC000069681497 524233546 /nfs/dbraw/zinc/23/35/46/524233546.db2.gz KOAXITHRGFUGPI-MRXNPFEDSA-N 2 1 298.430 3.801 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc21 ZINC000126784986 524616607 /nfs/dbraw/zinc/61/66/07/524616607.db2.gz WAESCGOZOUAQAS-ATNYBXOESA-N 2 1 272.436 3.697 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc21 ZINC000126784986 524616617 /nfs/dbraw/zinc/61/66/17/524616617.db2.gz WAESCGOZOUAQAS-ATNYBXOESA-N 2 1 272.436 3.697 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc2ccccc2o1 ZINC000037649213 525388406 /nfs/dbraw/zinc/38/84/06/525388406.db2.gz YEVPIGLQYVWGMM-KBPBESRZSA-N 2 1 284.403 3.568 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc2ccccc2o1 ZINC000037649213 525388412 /nfs/dbraw/zinc/38/84/12/525388412.db2.gz YEVPIGLQYVWGMM-KBPBESRZSA-N 2 1 284.403 3.568 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2CC(c3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC000157619705 525436532 /nfs/dbraw/zinc/43/65/32/525436532.db2.gz BRCABFSKZYUCTJ-AFVSCTSBSA-N 2 1 292.854 3.658 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2CC(c3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC000157619705 525436541 /nfs/dbraw/zinc/43/65/41/525436541.db2.gz BRCABFSKZYUCTJ-AFVSCTSBSA-N 2 1 292.854 3.658 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C)c3ccccc32)CC[N@@H+]1C ZINC000126785230 525446505 /nfs/dbraw/zinc/44/65/05/525446505.db2.gz WAESCGOZOUAQAS-LUXYFRNMSA-N 2 1 272.436 3.697 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C)c3ccccc32)CC[N@H+]1C ZINC000126785230 525446510 /nfs/dbraw/zinc/44/65/10/525446510.db2.gz WAESCGOZOUAQAS-LUXYFRNMSA-N 2 1 272.436 3.697 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cc2ccccc2o1 ZINC000279020127 525485576 /nfs/dbraw/zinc/48/55/76/525485576.db2.gz USLARCKGWDOKIF-KGLIPLIRSA-N 2 1 295.386 3.543 20 0 CHADMP C[C@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000291292423 525589349 /nfs/dbraw/zinc/58/93/49/525589349.db2.gz ZZTPDSFCTIYLAE-JQERWDHBSA-N 2 1 298.474 3.785 20 0 CHADMP Cc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C2CC2)cc1 ZINC000037648848 525774487 /nfs/dbraw/zinc/77/44/87/525774487.db2.gz UODNGVXQSFUFQB-HNAYVOBHSA-N 2 1 284.447 3.520 20 0 CHADMP CSc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649185 526072177 /nfs/dbraw/zinc/07/21/77/526072177.db2.gz NCEYQEHAFMBTIF-UONOGXRCSA-N 2 1 290.476 3.543 20 0 CHADMP Cc1nc(C)c([C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)s1 ZINC000111360075 526745058 /nfs/dbraw/zinc/74/50/58/526745058.db2.gz FJPBVUNHWAOMIO-CYBMUJFWSA-N 2 1 295.496 3.533 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000127978858 527405353 /nfs/dbraw/zinc/40/53/53/527405353.db2.gz LSKWSOVJCBSTGN-AWEZNQCLSA-N 2 1 289.398 3.504 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000275468891 527422303 /nfs/dbraw/zinc/42/23/03/527422303.db2.gz INFSHEKVZIIBJZ-ZWKOTPCHSA-N 2 1 283.419 3.508 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](CCC(C)C)C1CC1 ZINC000338773242 527439481 /nfs/dbraw/zinc/43/94/81/527439481.db2.gz DEBVLUADTAWQIL-WMLDXEAASA-N 2 1 277.456 3.632 20 0 CHADMP CC1CCC(C)(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000352705695 528170448 /nfs/dbraw/zinc/17/04/48/528170448.db2.gz MTRNBCVCZUORGU-UHFFFAOYSA-N 2 1 295.496 3.511 20 0 CHADMP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)C(C)C ZINC000341898999 535915404 /nfs/dbraw/zinc/91/54/04/535915404.db2.gz NUWAZYFUJTVHCM-INIZCTEOSA-N 2 1 289.398 3.844 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC001202627932 1125467364 /nfs/dbraw/zinc/46/73/64/1125467364.db2.gz COJOMDZLSLTMBE-JKSUJKDBSA-N 2 1 268.489 3.913 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC001202627932 1125467366 /nfs/dbraw/zinc/46/73/66/1125467366.db2.gz COJOMDZLSLTMBE-JKSUJKDBSA-N 2 1 268.489 3.913 20 0 CHADMP CC(C)[C@H](c1ccccc1Cl)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647885663 1117781258 /nfs/dbraw/zinc/78/12/58/1117781258.db2.gz CACBASIDGOZBJC-XJKSGUPXSA-N 2 1 280.843 3.578 20 0 CHADMP CC(C)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623442351 1117856679 /nfs/dbraw/zinc/85/66/79/1117856679.db2.gz LHANTUGNARWVLB-CQSZACIVSA-N 2 1 254.462 3.521 20 0 CHADMP CC[C@H](C)C[C@H](CC)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624119505 1117983490 /nfs/dbraw/zinc/98/34/90/1117983490.db2.gz DGAGCGGXFAHHBB-XHSDSOJGSA-N 2 1 254.462 3.523 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1Cl ZINC000624120374 1117985769 /nfs/dbraw/zinc/98/57/69/1117985769.db2.gz XPSCMRZYHSJDAZ-KBPBESRZSA-N 2 1 280.843 3.723 20 0 CHADMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000128861475 1118334595 /nfs/dbraw/zinc/33/45/95/1118334595.db2.gz FIAKCQWHIOWZCK-JQWIXIFHSA-N 2 1 287.234 3.786 20 0 CHADMP Cc1c(Cl)cccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001204607944 1119366197 /nfs/dbraw/zinc/36/61/97/1119366197.db2.gz ATSKEXNHFFSSQE-SWLSCSKDSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1c(Cl)cccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001204607944 1119366199 /nfs/dbraw/zinc/36/61/99/1119366199.db2.gz ATSKEXNHFFSSQE-SWLSCSKDSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1c(Cl)cccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC001204607944 1119366201 /nfs/dbraw/zinc/36/62/01/1119366201.db2.gz ATSKEXNHFFSSQE-SWLSCSKDSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1c(Cl)cccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC001204607944 1119366204 /nfs/dbraw/zinc/36/62/04/1119366204.db2.gz ATSKEXNHFFSSQE-SWLSCSKDSA-N 2 1 280.843 3.563 20 0 CHADMP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CCC[NH+](C)C ZINC000431331304 1125507742 /nfs/dbraw/zinc/50/77/42/1125507742.db2.gz HWCYMOZEIOPZFJ-QGZVFWFLSA-N 2 1 290.451 3.565 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2csc(C)c2C)C1 ZINC001179854208 1121917600 /nfs/dbraw/zinc/91/76/00/1121917600.db2.gz DBPRBQLVINJMSK-HNNXBMFYSA-N 2 1 280.481 3.529 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2csc(C)c2C)C1 ZINC001179854208 1121917606 /nfs/dbraw/zinc/91/76/06/1121917606.db2.gz DBPRBQLVINJMSK-HNNXBMFYSA-N 2 1 280.481 3.529 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2csc(C)c2C)C1 ZINC001179854208 1121917611 /nfs/dbraw/zinc/91/76/11/1121917611.db2.gz DBPRBQLVINJMSK-HNNXBMFYSA-N 2 1 280.481 3.529 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)s1 ZINC000858106880 1123632030 /nfs/dbraw/zinc/63/20/30/1123632030.db2.gz CICXDQKOTPINGE-OLZOCXBDSA-N 2 1 266.454 3.580 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000858106880 1123632033 /nfs/dbraw/zinc/63/20/33/1123632033.db2.gz CICXDQKOTPINGE-OLZOCXBDSA-N 2 1 266.454 3.580 20 0 CHADMP CSC(C)(C)CC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000876625533 1124965372 /nfs/dbraw/zinc/96/53/72/1124965372.db2.gz XUERPVYPJGHMMV-UHFFFAOYSA-N 2 1 286.529 3.570 20 0 CHADMP CC1([NH+]2CCC2)CC[NH+](CCSC2CCCCC2)CC1 ZINC000880473734 1125276571 /nfs/dbraw/zinc/27/65/71/1125276571.db2.gz MNNNWYJFPFWBJQ-UHFFFAOYSA-N 2 1 296.524 3.613 20 0 CHADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1sccc1Cl ZINC000883210409 1125378339 /nfs/dbraw/zinc/37/83/39/1125378339.db2.gz TWAWVNBJHICVBG-CYBMUJFWSA-N 2 1 284.856 3.704 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1sccc1Cl ZINC000883173775 1125374908 /nfs/dbraw/zinc/37/49/08/1125374908.db2.gz SWYPLKHMOWIRES-WCQYABFASA-N 2 1 286.872 3.784 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1sccc1Cl ZINC000883173775 1125374910 /nfs/dbraw/zinc/37/49/10/1125374910.db2.gz SWYPLKHMOWIRES-WCQYABFASA-N 2 1 286.872 3.784 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1sccc1Cl ZINC000883188862 1125375360 /nfs/dbraw/zinc/37/53/60/1125375360.db2.gz RZBPJVYSRRUKOB-AAEUAGOBSA-N 2 1 286.872 3.784 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1sccc1Cl ZINC000883188862 1125375361 /nfs/dbraw/zinc/37/53/61/1125375361.db2.gz RZBPJVYSRRUKOB-AAEUAGOBSA-N 2 1 286.872 3.784 20 0 CHADMP CCCCCC[C@H](CC)[NH2+][C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001246343458 1131481554 /nfs/dbraw/zinc/48/15/54/1131481554.db2.gz UYXGUOLQNKKUTL-BFHYXJOUSA-N 2 1 294.405 3.865 20 0 CHADMP CCCCCC[C@H](CC)[NH2+][C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001246343459 1131481912 /nfs/dbraw/zinc/48/19/12/1131481912.db2.gz UYXGUOLQNKKUTL-IHRRRGAJSA-N 2 1 294.405 3.865 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246548794 1131601368 /nfs/dbraw/zinc/60/13/68/1131601368.db2.gz KCZGRAOILYQMKO-JYJNAYRXSA-N 2 1 272.452 3.744 20 0 CHADMP CC(C)CC[C@@H](C)[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001246646264 1131770962 /nfs/dbraw/zinc/77/09/62/1131770962.db2.gz PHLHWXQKKWOVAJ-WBVHZDCISA-N 2 1 266.473 3.665 20 0 CHADMP CCCCC(CCCC)[N@H+]1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001246698431 1131780451 /nfs/dbraw/zinc/78/04/51/1131780451.db2.gz XWNICBXKUHTFET-HOCLYGCPSA-N 2 1 284.463 3.744 20 0 CHADMP CC(C)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CC[C@@H](C)[C@H](C)C1 ZINC001172368883 1132194764 /nfs/dbraw/zinc/19/47/64/1132194764.db2.gz KEHALGCHGMCFRX-HHARLNAUSA-N 2 1 266.473 3.791 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@@H](C)C2)CC1 ZINC001173108287 1132392495 /nfs/dbraw/zinc/39/24/95/1132392495.db2.gz AMCDJKREFZGZJU-KLAILNCOSA-N 2 1 266.473 3.761 20 0 CHADMP CCCC[C@@H](CC(C)C)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001173259315 1132428383 /nfs/dbraw/zinc/42/83/83/1132428383.db2.gz HHOFGJXUMRVIHY-KRWDZBQOSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CCCCC2)C[C@H]1C ZINC000251862085 1125516507 /nfs/dbraw/zinc/51/65/07/1125516507.db2.gz PXLSYICZUMKNNE-OAGGEKHMSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCC2)CC[N@@H+]1C ZINC000119305774 1125532543 /nfs/dbraw/zinc/53/25/43/1125532543.db2.gz VJGSYXYIDXRCRA-JEBQAFNWSA-N 2 1 290.426 3.739 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCC2)CC[N@H+]1C ZINC000119305774 1125532550 /nfs/dbraw/zinc/53/25/50/1125532550.db2.gz VJGSYXYIDXRCRA-JEBQAFNWSA-N 2 1 290.426 3.739 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000245597618 1125583887 /nfs/dbraw/zinc/58/38/87/1125583887.db2.gz NSNHKKMVHSZSBZ-COCCGSRQSA-N 2 1 290.426 3.521 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000245593750 1125584193 /nfs/dbraw/zinc/58/41/93/1125584193.db2.gz LCUFQHSSGBMBRR-APWZRJJASA-N 2 1 297.446 3.850 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000245593750 1125584199 /nfs/dbraw/zinc/58/41/99/1125584199.db2.gz LCUFQHSSGBMBRR-APWZRJJASA-N 2 1 297.446 3.850 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)CCC2 ZINC000245627343 1125586025 /nfs/dbraw/zinc/58/60/25/1125586025.db2.gz YTXUAEIGBBBYMV-OSGQAZFXSA-N 2 1 286.463 3.691 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H]2CC=CCC2)C3)cc1 ZINC000245671810 1125587464 /nfs/dbraw/zinc/58/74/64/1125587464.db2.gz HLZWLAHAJHIBTQ-WTGUMLROSA-N 2 1 296.458 3.880 20 0 CHADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc([C@@H]3C[C@H]3C)o2)[C@@H](C)C1 ZINC000245771700 1125594015 /nfs/dbraw/zinc/59/40/15/1125594015.db2.gz RZASARWNGFBHJO-WTTBNOFXSA-N 2 1 290.451 3.565 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc([C@@H]3C[C@H]3C)o2)[C@@H](C)C1 ZINC000245771700 1125594030 /nfs/dbraw/zinc/59/40/30/1125594030.db2.gz RZASARWNGFBHJO-WTTBNOFXSA-N 2 1 290.451 3.565 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc([C@@H]3C[C@H]3C)o2)[C@@H](C)C1 ZINC000245771700 1125594037 /nfs/dbraw/zinc/59/40/37/1125594037.db2.gz RZASARWNGFBHJO-WTTBNOFXSA-N 2 1 290.451 3.565 20 0 CHADMP Cc1cc(C)cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000533534710 1125614930 /nfs/dbraw/zinc/61/49/30/1125614930.db2.gz MYGPGYZQOYSKRM-UYAOXDASSA-N 2 1 298.474 3.752 20 0 CHADMP Cc1cc(C)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000533534710 1125614931 /nfs/dbraw/zinc/61/49/31/1125614931.db2.gz MYGPGYZQOYSKRM-UYAOXDASSA-N 2 1 298.474 3.752 20 0 CHADMP CCCCC[C@@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089595000 1129241239 /nfs/dbraw/zinc/24/12/39/1129241239.db2.gz GKSIAUVFXORJMO-QGZVFWFLSA-N 2 1 296.499 3.580 20 0 CHADMP CC[C@@H](CC(F)F)C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886659368 1125703468 /nfs/dbraw/zinc/70/34/68/1125703468.db2.gz LAHKSBFSXUMMQG-ZDUSSCGKSA-N 2 1 299.409 3.887 20 0 CHADMP Cc1[nH]c(C2CC[NH+](CCC(C)(C)C)CC2)[nH+]c1C ZINC000886661473 1125705611 /nfs/dbraw/zinc/70/56/11/1125705611.db2.gz VRPXACNYQZOQIE-UHFFFAOYSA-N 2 1 263.429 3.642 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1F ZINC000161680668 1125710761 /nfs/dbraw/zinc/71/07/61/1125710761.db2.gz NBCBXJZPQHWQFZ-IUODEOHRSA-N 2 1 298.833 3.862 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1F ZINC000161680668 1125710768 /nfs/dbraw/zinc/71/07/68/1125710768.db2.gz NBCBXJZPQHWQFZ-IUODEOHRSA-N 2 1 298.833 3.862 20 0 CHADMP C[C@H]([NH2+]C1(C2CC2)CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000886825515 1125720814 /nfs/dbraw/zinc/72/08/14/1125720814.db2.gz WCKOPJOLOAZRST-FUHWJXTLSA-N 2 1 298.474 3.819 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)C(C)(C)C)CC1 ZINC000162156636 1125739398 /nfs/dbraw/zinc/73/93/98/1125739398.db2.gz FZWAEBNHNAJMMV-MRXNPFEDSA-N 2 1 288.479 3.984 20 0 CHADMP C[C@@H](C[N@H+]1CCC[C@H](CC[NH3+])C1)c1cccc(Cl)c1 ZINC000261912834 1125745346 /nfs/dbraw/zinc/74/53/46/1125745346.db2.gz JMFAQHQDWKAWBM-UONOGXRCSA-N 2 1 280.843 3.504 20 0 CHADMP C[C@H](C[N@H+]1CCC[C@@H](CC[NH3+])C1)c1cccc(Cl)c1 ZINC000261912832 1125745770 /nfs/dbraw/zinc/74/57/70/1125745770.db2.gz JMFAQHQDWKAWBM-KGLIPLIRSA-N 2 1 280.843 3.504 20 0 CHADMP CC[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@@H](C)c1cc2ccccc2o1 ZINC000262061933 1125750534 /nfs/dbraw/zinc/75/05/34/1125750534.db2.gz RHCUBHTUGRLLSS-KBXCAEBGSA-N 2 1 286.419 3.815 20 0 CHADMP C/C(=C\c1ccccc1)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000092043408 1125758113 /nfs/dbraw/zinc/75/81/13/1125758113.db2.gz VZMBHMUFPXASOA-JZUGBHPOSA-N 2 1 284.447 3.506 20 0 CHADMP C/C(=C\c1ccccc1)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043408 1125758117 /nfs/dbraw/zinc/75/81/17/1125758117.db2.gz VZMBHMUFPXASOA-JZUGBHPOSA-N 2 1 284.447 3.506 20 0 CHADMP C/C(=C\c1ccccc1)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043408 1125758123 /nfs/dbraw/zinc/75/81/23/1125758123.db2.gz VZMBHMUFPXASOA-JZUGBHPOSA-N 2 1 284.447 3.506 20 0 CHADMP Cc1ccsc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093563850 1125770085 /nfs/dbraw/zinc/77/00/85/1125770085.db2.gz WNCXDGAGJNKYQP-OAHLLOKOSA-N 2 1 278.465 3.507 20 0 CHADMP Cc1ccsc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093563849 1125770366 /nfs/dbraw/zinc/77/03/66/1125770366.db2.gz WNCXDGAGJNKYQP-HNNXBMFYSA-N 2 1 278.465 3.507 20 0 CHADMP CCCCC[C@H](CC)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001258433945 1129348372 /nfs/dbraw/zinc/34/83/72/1129348372.db2.gz CUVCRHKSNWSCNW-LUKYLMHMSA-N 2 1 266.473 3.950 20 0 CHADMP CCCCCC(C)(C)C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000766547652 1129684136 /nfs/dbraw/zinc/68/41/36/1129684136.db2.gz ARIIHVODTGRGDF-HOTGVXAUSA-N 2 1 268.489 3.913 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)C1CCC(F)(F)CC1 ZINC000653868856 1129798685 /nfs/dbraw/zinc/79/86/85/1129798685.db2.gz KZOILJZDGZWCRT-ZFWWWQNUSA-N 2 1 288.426 3.664 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CCC1CCCCC1 ZINC000338008271 1126709002 /nfs/dbraw/zinc/70/90/02/1126709002.db2.gz PLXXHCNUYLZCOD-HNNXBMFYSA-N 2 1 277.456 3.920 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cc(C)c(F)c(C)c1 ZINC000338012312 1126709595 /nfs/dbraw/zinc/70/95/95/1126709595.db2.gz PPMYPPBPJPWPKI-CQSZACIVSA-N 2 1 289.398 3.688 20 0 CHADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000338021570 1126711575 /nfs/dbraw/zinc/71/15/75/1126711575.db2.gz WADXZEFIZOQXBP-MRXNPFEDSA-N 2 1 291.826 3.976 20 0 CHADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1cccc(Cl)c1 ZINC000338017848 1126711758 /nfs/dbraw/zinc/71/17/58/1126711758.db2.gz WMFNDFHWMDIVEI-INIZCTEOSA-N 2 1 291.826 3.976 20 0 CHADMP CC[C@@H](c1ccccc1)[NH+](C)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254524495 1130261032 /nfs/dbraw/zinc/26/10/32/1130261032.db2.gz CICFHYNVQDRJJI-SJORKVTESA-N 2 1 260.425 3.554 20 0 CHADMP Cc1[nH+]ccn1CCCN(C)Cc1c(F)cccc1Cl ZINC000136293854 1126725754 /nfs/dbraw/zinc/72/57/54/1126725754.db2.gz SGDFMOUCYKVHGG-UHFFFAOYSA-N 2 1 295.789 3.506 20 0 CHADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000338263925 1126728704 /nfs/dbraw/zinc/72/87/04/1126728704.db2.gz MBSYLFQXOMHRQA-HNNXBMFYSA-N 2 1 266.454 3.617 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1c1ccsc1 ZINC000338263925 1126728707 /nfs/dbraw/zinc/72/87/07/1126728707.db2.gz MBSYLFQXOMHRQA-HNNXBMFYSA-N 2 1 266.454 3.617 20 0 CHADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000481955922 1126735517 /nfs/dbraw/zinc/73/55/17/1126735517.db2.gz YELOJBWAIJKFHI-MNOVXSKESA-N 2 1 289.250 3.984 20 0 CHADMP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1ccsc1 ZINC000482230739 1126745419 /nfs/dbraw/zinc/74/54/19/1126745419.db2.gz KVJUHXYGTATPEG-CQSZACIVSA-N 2 1 268.470 3.911 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000482231975 1126746714 /nfs/dbraw/zinc/74/67/14/1126746714.db2.gz YFICIKOJQDPANH-KSZLIROESA-N 2 1 278.484 3.785 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000482231975 1126746717 /nfs/dbraw/zinc/74/67/17/1126746717.db2.gz YFICIKOJQDPANH-KSZLIROESA-N 2 1 278.484 3.785 20 0 CHADMP CC(C)=CCC[C@H](C)CC[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000482231975 1126746720 /nfs/dbraw/zinc/74/67/20/1126746720.db2.gz YFICIKOJQDPANH-KSZLIROESA-N 2 1 278.484 3.785 20 0 CHADMP CC(C)=CCC[C@H](C)CC[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000482231975 1126746723 /nfs/dbraw/zinc/74/67/23/1126746723.db2.gz YFICIKOJQDPANH-KSZLIROESA-N 2 1 278.484 3.785 20 0 CHADMP CC(C)=CCC[C@H](C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000482242603 1126747094 /nfs/dbraw/zinc/74/70/94/1126747094.db2.gz FZOVUEJBHNHQSQ-GVDBMIGSSA-N 2 1 266.473 3.831 20 0 CHADMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000483222072 1126773279 /nfs/dbraw/zinc/77/32/79/1126773279.db2.gz SRAAAHIHCBFWPP-AEFFLSMTSA-N 2 1 286.463 3.720 20 0 CHADMP Cc1ccccc1[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000483222072 1126773280 /nfs/dbraw/zinc/77/32/80/1126773280.db2.gz SRAAAHIHCBFWPP-AEFFLSMTSA-N 2 1 286.463 3.720 20 0 CHADMP Cc1ccccc1[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000483222072 1126773281 /nfs/dbraw/zinc/77/32/81/1126773281.db2.gz SRAAAHIHCBFWPP-AEFFLSMTSA-N 2 1 286.463 3.720 20 0 CHADMP Cc1ccc(C(C)(C)C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000164848718 1129210735 /nfs/dbraw/zinc/21/07/35/1129210735.db2.gz WKVOHVIFYUQUMF-XYJFISCASA-N 2 1 288.479 3.591 20 0 CHADMP CC[C@@H]1C[N@H+]([C@H](C)c2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000251783475 1126795700 /nfs/dbraw/zinc/79/57/00/1126795700.db2.gz NFNKSGIUELPXRH-CLCXKQKWSA-N 2 1 282.431 3.960 20 0 CHADMP CC(C)[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000483733657 1126799338 /nfs/dbraw/zinc/79/93/38/1126799338.db2.gz VSZIMDLUWJKJQC-WDSOQIARSA-N 2 1 288.479 3.716 20 0 CHADMP CC(C)[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000483733657 1126799340 /nfs/dbraw/zinc/79/93/40/1126799340.db2.gz VSZIMDLUWJKJQC-WDSOQIARSA-N 2 1 288.479 3.716 20 0 CHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc3ccccc3n2)C1 ZINC000178511744 1126815177 /nfs/dbraw/zinc/81/51/77/1126815177.db2.gz UGXWCCQDOBWNML-HOTGVXAUSA-N 2 1 297.446 3.617 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc3ccccc3n2)C1 ZINC000178511744 1126815179 /nfs/dbraw/zinc/81/51/79/1126815179.db2.gz UGXWCCQDOBWNML-HOTGVXAUSA-N 2 1 297.446 3.617 20 0 CHADMP C[N@H+](Cc1ccccc1-c1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904311607 1126844032 /nfs/dbraw/zinc/84/40/32/1126844032.db2.gz GADBCMFYHRLECU-RHNCMZPLSA-N 2 1 280.415 3.523 20 0 CHADMP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccccc1F ZINC000180627043 1126846758 /nfs/dbraw/zinc/84/67/58/1126846758.db2.gz HZHCWMSNITVEKR-QGZVFWFLSA-N 2 1 289.398 3.852 20 0 CHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000183188281 1126883235 /nfs/dbraw/zinc/88/32/35/1126883235.db2.gz ICVXLZSOBBQCCT-XYJFISCASA-N 2 1 286.463 3.990 20 0 CHADMP CC/C=C\CCCCC[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235127227 1130713586 /nfs/dbraw/zinc/71/35/86/1130713586.db2.gz YOALSXVJBRHNAI-LIMHQNJXSA-N 2 1 264.457 3.731 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235127227 1130713589 /nfs/dbraw/zinc/71/35/89/1130713589.db2.gz YOALSXVJBRHNAI-LIMHQNJXSA-N 2 1 264.457 3.731 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(F)F)cc2)[C@H](C)C1 ZINC000183969769 1126894549 /nfs/dbraw/zinc/89/45/49/1126894549.db2.gz GNACQUDJYCRUCS-CJNGLKHVSA-N 2 1 296.405 3.786 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(F)F)cc2)[C@H](C)C1 ZINC000183969769 1126894550 /nfs/dbraw/zinc/89/45/50/1126894550.db2.gz GNACQUDJYCRUCS-CJNGLKHVSA-N 2 1 296.405 3.786 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(F)F)cc2)[C@H](C)C1 ZINC000183969769 1126894552 /nfs/dbraw/zinc/89/45/52/1126894552.db2.gz GNACQUDJYCRUCS-CJNGLKHVSA-N 2 1 296.405 3.786 20 0 CHADMP C[C@@H](CC[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000668459268 1126899404 /nfs/dbraw/zinc/89/94/04/1126899404.db2.gz RRKXYTMTMZKXSN-DOTOQJQBSA-N 2 1 274.452 3.643 20 0 CHADMP C[C@@H](CC[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000668459268 1126899409 /nfs/dbraw/zinc/89/94/09/1126899409.db2.gz RRKXYTMTMZKXSN-DOTOQJQBSA-N 2 1 274.452 3.643 20 0 CHADMP FC(F)c1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252704184 1126900513 /nfs/dbraw/zinc/90/05/13/1126900513.db2.gz MKGVAFAPXVXUQJ-JKSUJKDBSA-N 2 1 294.389 3.588 20 0 CHADMP c1ccc(C[C@@H]2CC[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000189011741 1126926988 /nfs/dbraw/zinc/92/69/88/1126926988.db2.gz HRIDAEPNHWWXRG-PKOBYXMFSA-N 2 1 298.474 3.614 20 0 CHADMP c1ccc(C[C@H]2CC[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000189011718 1126927476 /nfs/dbraw/zinc/92/74/76/1126927476.db2.gz HRIDAEPNHWWXRG-MJGOQNOKSA-N 2 1 298.474 3.614 20 0 CHADMP CC[N@H+](Cc1cc(Cl)cc(Cl)c1)C1CC[NH2+]CC1 ZINC001235762391 1130776885 /nfs/dbraw/zinc/77/68/85/1130776885.db2.gz SZCFFOMJJUEVEU-UHFFFAOYSA-N 2 1 287.234 3.567 20 0 CHADMP CC[N@@H+](Cc1cc(Cl)cc(Cl)c1)C1CC[NH2+]CC1 ZINC001235762391 1130776891 /nfs/dbraw/zinc/77/68/91/1130776891.db2.gz SZCFFOMJJUEVEU-UHFFFAOYSA-N 2 1 287.234 3.567 20 0 CHADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(F)cc(Cl)c2)[C@H](C)C1 ZINC000485686055 1126943299 /nfs/dbraw/zinc/94/32/99/1126943299.db2.gz RKSUTVDTQIUMGI-MLGOLLRUSA-N 2 1 298.833 3.641 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)cc(Cl)c2)[C@H](C)C1 ZINC000485686055 1126943302 /nfs/dbraw/zinc/94/33/02/1126943302.db2.gz RKSUTVDTQIUMGI-MLGOLLRUSA-N 2 1 298.833 3.641 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)cc(Cl)c2)[C@H](C)C1 ZINC000485686055 1126943304 /nfs/dbraw/zinc/94/33/04/1126943304.db2.gz RKSUTVDTQIUMGI-MLGOLLRUSA-N 2 1 298.833 3.641 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)cc(Cl)c2)[C@H](C)C1 ZINC000485686055 1126943306 /nfs/dbraw/zinc/94/33/06/1126943306.db2.gz RKSUTVDTQIUMGI-MLGOLLRUSA-N 2 1 298.833 3.641 20 0 CHADMP [NH3+]CCCC[N@H+]1CC[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001235882916 1130793129 /nfs/dbraw/zinc/79/31/29/1130793129.db2.gz SQQJCSDLLYKWQE-LBPRGKRZSA-N 2 1 287.234 3.522 20 0 CHADMP CCCC[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000906529980 1126957242 /nfs/dbraw/zinc/95/72/42/1126957242.db2.gz UXTOAVJDIBPVOK-ZFWWWQNUSA-N 2 1 266.454 3.521 20 0 CHADMP CCCC[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000906529980 1126957244 /nfs/dbraw/zinc/95/72/44/1126957244.db2.gz UXTOAVJDIBPVOK-ZFWWWQNUSA-N 2 1 266.454 3.521 20 0 CHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)cs2)C1 ZINC000193087022 1126966350 /nfs/dbraw/zinc/96/63/50/1126966350.db2.gz VQBSVLKNDBIHCX-GFCCVEGCSA-N 2 1 286.872 3.612 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)cs2)C1 ZINC000193087022 1126966354 /nfs/dbraw/zinc/96/63/54/1126966354.db2.gz VQBSVLKNDBIHCX-GFCCVEGCSA-N 2 1 286.872 3.612 20 0 CHADMP CCCc1ccc(C[N@@H+](C)C2CCC([NH2+]C)CC2)s1 ZINC001236213259 1130891213 /nfs/dbraw/zinc/89/12/13/1130891213.db2.gz MSGWAXFLZLEQME-UHFFFAOYSA-N 2 1 280.481 3.663 20 0 CHADMP Clc1csc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000486985966 1127015079 /nfs/dbraw/zinc/01/50/79/1127015079.db2.gz XDLTUXXWTHZAPI-UHFFFAOYSA-N 2 1 284.856 3.508 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](CC(C)C)c1cccs1 ZINC000268793051 1127024439 /nfs/dbraw/zinc/02/44/39/1127024439.db2.gz HBBROCZXYVKMAG-CQSZACIVSA-N 2 1 277.437 3.630 20 0 CHADMP Cc1ccccc1[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC000268900945 1127028295 /nfs/dbraw/zinc/02/82/95/1127028295.db2.gz QDTLALCVDLLZOL-YXJHDRRASA-N 2 1 272.436 3.518 20 0 CHADMP Cc1ccccc1[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC000268900945 1127028299 /nfs/dbraw/zinc/02/82/99/1127028299.db2.gz QDTLALCVDLLZOL-YXJHDRRASA-N 2 1 272.436 3.518 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)s1 ZINC000269059445 1127034503 /nfs/dbraw/zinc/03/45/03/1127034503.db2.gz XLNVNQANWJVDRD-CYBMUJFWSA-N 2 1 278.465 3.724 20 0 CHADMP CC(C)(C)CC[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236572849 1130977977 /nfs/dbraw/zinc/97/79/77/1130977977.db2.gz VIPSUPAHEIGIEO-CTYIDZIISA-N 2 1 252.446 3.547 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000270648739 1127060181 /nfs/dbraw/zinc/06/01/81/1127060181.db2.gz LGEXGKYVVJWUOO-MRXNPFEDSA-N 2 1 271.408 3.569 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237058714 1131044003 /nfs/dbraw/zinc/04/40/03/1131044003.db2.gz RLQWEIRTTNVFLK-YIEVGGLXSA-N 2 1 252.446 3.574 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)c1 ZINC001237082769 1131046401 /nfs/dbraw/zinc/04/64/01/1131046401.db2.gz SNSNHNOVPQVWLS-INIZCTEOSA-N 2 1 280.843 3.518 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c1 ZINC001237082769 1131046408 /nfs/dbraw/zinc/04/64/08/1131046408.db2.gz SNSNHNOVPQVWLS-INIZCTEOSA-N 2 1 280.843 3.518 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c1 ZINC001237082771 1131048017 /nfs/dbraw/zinc/04/80/17/1131048017.db2.gz SNSNHNOVPQVWLS-MRXNPFEDSA-N 2 1 280.843 3.518 20 0 CHADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000349246825 1127144041 /nfs/dbraw/zinc/14/40/41/1127144041.db2.gz NDCNLZXHPINJFI-HPFXQQBRSA-N 2 1 284.447 3.760 20 0 CHADMP CCSc1cccc(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000349665351 1127157758 /nfs/dbraw/zinc/15/77/58/1127157758.db2.gz ILOCNDUDEAEUPW-UHFFFAOYSA-N 2 1 292.492 3.764 20 0 CHADMP CC[C@H]1c2ccccc2CC[N@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168387738 1127215082 /nfs/dbraw/zinc/21/50/82/1127215082.db2.gz RXWCYTBVKSZWBU-FQEVSTJZSA-N 2 1 298.474 3.870 20 0 CHADMP CCC[C@@H]1CCCC[N@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168391679 1127226294 /nfs/dbraw/zinc/22/62/94/1127226294.db2.gz MMGSSVPMWUJISF-MRXNPFEDSA-N 2 1 264.457 3.515 20 0 CHADMP C[N@@H+](Cc1cccc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285451348 1127228261 /nfs/dbraw/zinc/22/82/61/1127228261.db2.gz JBEWJOISIFYIPK-DFNIBXOVSA-N 2 1 294.442 3.897 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285483347 1127232372 /nfs/dbraw/zinc/23/23/72/1127232372.db2.gz LOHQZNVWEDEKTA-SJPCQFCGSA-N 2 1 292.854 3.705 20 0 CHADMP Cc1cc(Cl)ccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285483347 1127232373 /nfs/dbraw/zinc/23/23/73/1127232373.db2.gz LOHQZNVWEDEKTA-SJPCQFCGSA-N 2 1 292.854 3.705 20 0 CHADMP Cc1cc(Cl)ccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285483347 1127232377 /nfs/dbraw/zinc/23/23/77/1127232377.db2.gz LOHQZNVWEDEKTA-SJPCQFCGSA-N 2 1 292.854 3.705 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)CCCCF)CC[N@@H+]1Cc1ccccc1 ZINC000286612472 1127270578 /nfs/dbraw/zinc/27/05/78/1127270578.db2.gz YLGSUEVCQUZDCS-SJLPKXTDSA-N 2 1 292.442 3.721 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)CCCCF)CC[N@H+]1Cc1ccccc1 ZINC000286612472 1127270579 /nfs/dbraw/zinc/27/05/79/1127270579.db2.gz YLGSUEVCQUZDCS-SJLPKXTDSA-N 2 1 292.442 3.721 20 0 CHADMP C[C@@H]1C[C@H]([N@H+](C)CCCCF)CC[NH+]1Cc1ccccc1 ZINC000286612472 1127270581 /nfs/dbraw/zinc/27/05/81/1127270581.db2.gz YLGSUEVCQUZDCS-SJLPKXTDSA-N 2 1 292.442 3.721 20 0 CHADMP C[C@@H]1C[C@H]([N@@H+](C)CCCCF)CC[NH+]1Cc1ccccc1 ZINC000286612472 1127270583 /nfs/dbraw/zinc/27/05/83/1127270583.db2.gz YLGSUEVCQUZDCS-SJLPKXTDSA-N 2 1 292.442 3.721 20 0 CHADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000354312589 1127302416 /nfs/dbraw/zinc/30/24/16/1127302416.db2.gz SAJGQNVCERJRRI-WTTBNOFXSA-N 2 1 277.456 3.632 20 0 CHADMP CCCc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000591701356 1127313965 /nfs/dbraw/zinc/31/39/65/1127313965.db2.gz PNUZMRAYDVUWTM-HNNXBMFYSA-N 2 1 285.435 3.570 20 0 CHADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C[C@@H]2CCCC(C)(C)C2)C1 ZINC000573487613 1127316479 /nfs/dbraw/zinc/31/64/79/1127316479.db2.gz LXOKJRCTMDOWJM-IXDOHACOSA-N 2 1 278.484 3.619 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000356309840 1127381514 /nfs/dbraw/zinc/38/15/14/1127381514.db2.gz ULQGAZZOXWUIAO-RHSMWYFYSA-N 2 1 275.440 3.506 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000356309840 1127381516 /nfs/dbraw/zinc/38/15/16/1127381516.db2.gz ULQGAZZOXWUIAO-RHSMWYFYSA-N 2 1 275.440 3.506 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CC2(OC)CCCCCC2)C[C@H]1C ZINC001308568865 1127392750 /nfs/dbraw/zinc/39/27/50/1127392750.db2.gz FNNVDWGUWWPUEW-SJORKVTESA-N 2 1 296.499 3.530 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CC2(OC)CCCCCC2)C[C@H]1C ZINC001308568865 1127392754 /nfs/dbraw/zinc/39/27/54/1127392754.db2.gz FNNVDWGUWWPUEW-SJORKVTESA-N 2 1 296.499 3.530 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2(OC)CCCCCC2)C[C@H]1C ZINC001308568865 1127392757 /nfs/dbraw/zinc/39/27/57/1127392757.db2.gz FNNVDWGUWWPUEW-SJORKVTESA-N 2 1 296.499 3.530 20 0 CHADMP CC[N@@H+](CCC[NH2+][C@@H]1CC[C@@H]1SC)C1CCCCC1 ZINC000593660884 1127394312 /nfs/dbraw/zinc/39/43/12/1127394312.db2.gz PJHYFHQVPXTMOJ-CVEARBPZSA-N 2 1 284.513 3.515 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2SC)C[C@H]1C ZINC000358030279 1127397367 /nfs/dbraw/zinc/39/73/67/1127397367.db2.gz GLSZARZKBRBTER-GDBMZVCRSA-N 2 1 292.492 3.713 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2SC)C[C@H]1C ZINC000358030279 1127397371 /nfs/dbraw/zinc/39/73/71/1127397371.db2.gz GLSZARZKBRBTER-GDBMZVCRSA-N 2 1 292.492 3.713 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2SC)C[C@H]1C ZINC000358030279 1127397375 /nfs/dbraw/zinc/39/73/75/1127397375.db2.gz GLSZARZKBRBTER-GDBMZVCRSA-N 2 1 292.492 3.713 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2SC)C[C@H]1C ZINC000358030279 1127397378 /nfs/dbraw/zinc/39/73/78/1127397378.db2.gz GLSZARZKBRBTER-GDBMZVCRSA-N 2 1 292.492 3.713 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1(C)CC1 ZINC000358989447 1127442694 /nfs/dbraw/zinc/44/26/94/1127442694.db2.gz RQZHIQTZTIECGH-FUHWJXTLSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1(C)CC1 ZINC000358989446 1127442713 /nfs/dbraw/zinc/44/27/13/1127442713.db2.gz RQZHIQTZTIECGH-AEFFLSMTSA-N 2 1 286.463 3.677 20 0 CHADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000574981060 1127460422 /nfs/dbraw/zinc/46/04/22/1127460422.db2.gz UHEINDWMKHTJND-JQWIXIFHSA-N 2 1 272.795 3.503 20 0 CHADMP C[NH+](C)CCC[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000359369468 1127460604 /nfs/dbraw/zinc/46/06/04/1127460604.db2.gz KDQXWKAEFCRDMZ-AWEZNQCLSA-N 2 1 298.883 3.808 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc3ccccc3n2)CC1 ZINC000359617005 1127470251 /nfs/dbraw/zinc/47/02/51/1127470251.db2.gz CVAZOAPIEWPQLX-OAHLLOKOSA-N 2 1 297.446 3.760 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC001308791462 1127478709 /nfs/dbraw/zinc/47/87/09/1127478709.db2.gz GEAMJJJSJUEBEO-LVQVYYBASA-N 2 1 254.462 3.521 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC001308791462 1127478710 /nfs/dbraw/zinc/47/87/10/1127478710.db2.gz GEAMJJJSJUEBEO-LVQVYYBASA-N 2 1 254.462 3.521 20 0 CHADMP CCC[NH+]1CCC([NH2+]Cc2ccc(C(C)(F)F)cc2)CC1 ZINC000293591667 1127507475 /nfs/dbraw/zinc/50/74/75/1127507475.db2.gz CTQVKHLRNGOFMI-UHFFFAOYSA-N 2 1 296.405 3.762 20 0 CHADMP CCSc1ccccc1[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000360861189 1127515640 /nfs/dbraw/zinc/51/56/40/1127515640.db2.gz REEFVWWOOLOLOM-UONOGXRCSA-N 2 1 280.481 3.789 20 0 CHADMP C[C@H]1CCCC[N@@H+]1CCCNc1cc[nH+]c2ccsc21 ZINC000361158221 1127543515 /nfs/dbraw/zinc/54/35/15/1127543515.db2.gz CMOITCPBFBLQME-ZDUSSCGKSA-N 2 1 289.448 3.973 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCNc1cc[nH+]c2ccsc21 ZINC000361158221 1127543516 /nfs/dbraw/zinc/54/35/16/1127543516.db2.gz CMOITCPBFBLQME-ZDUSSCGKSA-N 2 1 289.448 3.973 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]CCC1CCCCC1 ZINC000361579051 1127573505 /nfs/dbraw/zinc/57/35/05/1127573505.db2.gz QPSLLBROWJSWBK-UHFFFAOYSA-N 2 1 263.429 3.532 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(C2CC2)c1 ZINC000294564000 1127582365 /nfs/dbraw/zinc/58/23/65/1127582365.db2.gz BNRKQKMMCICLMK-GLJUWKHASA-N 2 1 272.436 3.697 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(C2CC2)c1 ZINC000294564000 1127582366 /nfs/dbraw/zinc/58/23/66/1127582366.db2.gz BNRKQKMMCICLMK-GLJUWKHASA-N 2 1 272.436 3.697 20 0 CHADMP c1ccc([C@@H]2CCC[C@@H]2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000294681451 1127591689 /nfs/dbraw/zinc/59/16/89/1127591689.db2.gz BQJKNOFLEGDEMX-WTGUMLROSA-N 2 1 298.474 3.787 20 0 CHADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(Cl)c1 ZINC000294942030 1127610306 /nfs/dbraw/zinc/61/03/06/1127610306.db2.gz GYYYGBGERDXABO-FCLXEUQJSA-N 2 1 292.854 3.658 20 0 CHADMP CSCc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000598974855 1127649313 /nfs/dbraw/zinc/64/93/13/1127649313.db2.gz CKEWIWRBIMZYIL-MRXNPFEDSA-N 2 1 292.492 3.512 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(C)(F)F ZINC000295781276 1127652628 /nfs/dbraw/zinc/65/26/28/1127652628.db2.gz QSUTZEOMKKWUQN-ZBFHGGJFSA-N 2 1 296.405 3.532 20 0 CHADMP c1ccc([C@H]2CCC[C@H]2C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000297409259 1127695663 /nfs/dbraw/zinc/69/56/63/1127695663.db2.gz LFMUYVXHIFQPHM-FXAWDEMLSA-N 2 1 298.474 3.787 20 0 CHADMP CC(C[NH+]1CCC[C@H](C)CC1)C[N@H+]1CCC[C@H](C)CC1 ZINC000605574391 1127742692 /nfs/dbraw/zinc/74/26/92/1127742692.db2.gz DTTKRUSIUMQJDI-IRXDYDNUSA-N 2 1 280.500 3.867 20 0 CHADMP CC[C@@H]1CCC[NH+](C[C@@H](C)C[N@@H+]2CCC[C@H](CC)C2)C1 ZINC000605573889 1127743215 /nfs/dbraw/zinc/74/32/15/1127743215.db2.gz FOBPZEXBKXDNFB-NNZMDNLPSA-N 2 1 280.500 3.867 20 0 CHADMP CC[C@@H]1CCC[N@@H+](C[C@@H](C)C[NH+]2CCC[C@H](CC)C2)C1 ZINC000605573889 1127743219 /nfs/dbraw/zinc/74/32/19/1127743219.db2.gz FOBPZEXBKXDNFB-NNZMDNLPSA-N 2 1 280.500 3.867 20 0 CHADMP CC[C@@H]1CCC[N@H+](C[C@@H](C)C[NH+]2CCC[C@H](CC)C2)C1 ZINC000605573889 1127743220 /nfs/dbraw/zinc/74/32/20/1127743220.db2.gz FOBPZEXBKXDNFB-NNZMDNLPSA-N 2 1 280.500 3.867 20 0 CHADMP CC(C)SCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000409446579 1127768914 /nfs/dbraw/zinc/76/89/14/1127768914.db2.gz LDNZRLOSGBKDMO-SJORKVTESA-N 2 1 298.540 3.714 20 0 CHADMP CC(C)SCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000409446579 1127768918 /nfs/dbraw/zinc/76/89/18/1127768918.db2.gz LDNZRLOSGBKDMO-SJORKVTESA-N 2 1 298.540 3.714 20 0 CHADMP CC(C)SCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000409446579 1127768920 /nfs/dbraw/zinc/76/89/20/1127768920.db2.gz LDNZRLOSGBKDMO-SJORKVTESA-N 2 1 298.540 3.714 20 0 CHADMP C[C@H](c1ccccc1Cl)N1CCC2(CCC[N@H+]2C)CC1 ZINC000371692546 1127775656 /nfs/dbraw/zinc/77/56/56/1127775656.db2.gz KLJSEJWCFKSGFC-CQSZACIVSA-N 2 1 292.854 3.961 20 0 CHADMP C[C@@H]1CC[C@H](C)[NH+](C/C=C/C[N@H+]2C[C@H](C)CC[C@@H]2C)C1 ZINC000608578135 1127878498 /nfs/dbraw/zinc/87/84/98/1127878498.db2.gz OINAYINUUHXNGU-XMURRGPJSA-N 2 1 278.484 3.783 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC000378961845 1127900285 /nfs/dbraw/zinc/90/02/85/1127900285.db2.gz RBCJNKZPWHHSBH-ZRNYENFQSA-N 2 1 298.474 3.677 20 0 CHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000374616632 1127906527 /nfs/dbraw/zinc/90/65/27/1127906527.db2.gz AXFQGJIUVWRASV-MCYKXBRJSA-N 2 1 298.474 3.990 20 0 CHADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)ccc1Cl ZINC000623492147 1127903087 /nfs/dbraw/zinc/90/30/87/1127903087.db2.gz NRXMFRXTRBNXBI-AWEZNQCLSA-N 2 1 280.843 3.611 20 0 CHADMP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)ccc1Cl ZINC000623492147 1127903090 /nfs/dbraw/zinc/90/30/90/1127903090.db2.gz NRXMFRXTRBNXBI-AWEZNQCLSA-N 2 1 280.843 3.611 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000535291878 1127912129 /nfs/dbraw/zinc/91/21/29/1127912129.db2.gz FYIFMSOZIYCSOL-ZFWWWQNUSA-N 2 1 280.843 3.529 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000535468456 1127916758 /nfs/dbraw/zinc/91/67/58/1127916758.db2.gz IXVXBINEZWCZDO-MSOLQXFVSA-N 2 1 290.426 3.741 20 0 CHADMP C[C@H]([NH2+][C@H](c1ccccc1)C(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000400429689 1127928900 /nfs/dbraw/zinc/92/89/00/1127928900.db2.gz ZSKXXPUGSFPLRQ-CWRNSKLLSA-N 2 1 260.425 3.504 20 0 CHADMP Cc1ccc(F)cc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000539815002 1127942454 /nfs/dbraw/zinc/94/24/54/1127942454.db2.gz BBSFGEVMASZKLQ-UHFFFAOYSA-N 2 1 292.442 3.686 20 0 CHADMP CCC(CC)(CC)C[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000544020465 1127954813 /nfs/dbraw/zinc/95/48/13/1127954813.db2.gz JTXVIUJULDVFLK-HUUCEWRRSA-N 2 1 254.462 3.617 20 0 CHADMP CCC(CC)(CC)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000544020465 1127954816 /nfs/dbraw/zinc/95/48/16/1127954816.db2.gz JTXVIUJULDVFLK-HUUCEWRRSA-N 2 1 254.462 3.617 20 0 CHADMP CCC(CC)(CC)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000544020465 1127954819 /nfs/dbraw/zinc/95/48/19/1127954819.db2.gz JTXVIUJULDVFLK-HUUCEWRRSA-N 2 1 254.462 3.617 20 0 CHADMP CCC(CC)(CC)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000544020465 1127954822 /nfs/dbraw/zinc/95/48/22/1127954822.db2.gz JTXVIUJULDVFLK-HUUCEWRRSA-N 2 1 254.462 3.617 20 0 CHADMP CCC(CC)(CC)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000544020465 1127954825 /nfs/dbraw/zinc/95/48/25/1127954825.db2.gz JTXVIUJULDVFLK-HUUCEWRRSA-N 2 1 254.462 3.617 20 0 CHADMP CC[C@H](C)C[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000540067757 1127959554 /nfs/dbraw/zinc/95/95/54/1127959554.db2.gz UGYUYFGZLYKNTJ-JENIJYKNSA-N 2 1 288.479 3.923 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000540141929 1127962435 /nfs/dbraw/zinc/96/24/35/1127962435.db2.gz LFBUVDTZGUGQHJ-BQFCYCMXSA-N 2 1 286.463 3.675 20 0 CHADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000540147244 1127963422 /nfs/dbraw/zinc/96/34/22/1127963422.db2.gz HUZCLOZOELOZCM-GVDBMIGSSA-N 2 1 266.473 3.523 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3ccccc32)C1 ZINC000540150860 1127964073 /nfs/dbraw/zinc/96/40/73/1127964073.db2.gz HGULGUCAQKFADT-APWZRJJASA-N 2 1 286.463 3.632 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3ccccc32)C1 ZINC000540150861 1127964191 /nfs/dbraw/zinc/96/41/91/1127964191.db2.gz HGULGUCAQKFADT-LPHOPBHVSA-N 2 1 286.463 3.632 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2csc3ccccc23)[C@@H](C)C1 ZINC000540195229 1127968933 /nfs/dbraw/zinc/96/89/33/1127968933.db2.gz OXNLTJCMIXMZAY-BBRMVZONSA-N 2 1 288.460 3.721 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2CCCC[C@H]2C)CC1 ZINC000544347145 1127969239 /nfs/dbraw/zinc/96/92/39/1127969239.db2.gz IITRQVTYMWUBRI-HZPDHXFCSA-N 2 1 266.473 3.617 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1F ZINC000623560046 1127970342 /nfs/dbraw/zinc/97/03/42/1127970342.db2.gz UERUVPRVHUCRAH-CJNGLKHVSA-N 2 1 278.415 3.739 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1F ZINC000623560046 1127970344 /nfs/dbraw/zinc/97/03/44/1127970344.db2.gz UERUVPRVHUCRAH-CJNGLKHVSA-N 2 1 278.415 3.739 20 0 CHADMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](C)Cc2ccccc2)CC1 ZINC000544407477 1127971988 /nfs/dbraw/zinc/97/19/88/1127971988.db2.gz ITAVAQCOVSVCNE-QGZVFWFLSA-N 2 1 288.479 3.670 20 0 CHADMP C[C@H](CC1CCCCC1)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000544600484 1127978592 /nfs/dbraw/zinc/97/85/92/1127978592.db2.gz YJYFRODXESXMEJ-BPQIPLTHSA-N 2 1 278.484 3.619 20 0 CHADMP C[C@H](CC1CCCCC1)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000544600484 1127978593 /nfs/dbraw/zinc/97/85/93/1127978593.db2.gz YJYFRODXESXMEJ-BPQIPLTHSA-N 2 1 278.484 3.619 20 0 CHADMP C[C@H](CC1CCCCC1)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000544600484 1127978596 /nfs/dbraw/zinc/97/85/96/1127978596.db2.gz YJYFRODXESXMEJ-BPQIPLTHSA-N 2 1 278.484 3.619 20 0 CHADMP C[C@H](CC1CCCCC1)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000544600484 1127978599 /nfs/dbraw/zinc/97/85/99/1127978599.db2.gz YJYFRODXESXMEJ-BPQIPLTHSA-N 2 1 278.484 3.619 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000540607367 1127986336 /nfs/dbraw/zinc/98/63/36/1127986336.db2.gz SSKIJOABZTWGLA-KRWDZBQOSA-N 2 1 290.838 3.569 20 0 CHADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000468355160 1128003440 /nfs/dbraw/zinc/00/34/40/1128003440.db2.gz CXGOPLQYQJMWBX-MUGJNUQGSA-N 2 1 298.474 3.848 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CC(C)C)CCC2)[C@@H](C)C1 ZINC000468873313 1128025942 /nfs/dbraw/zinc/02/59/42/1128025942.db2.gz GFEPHURXOHFNDW-HOTGVXAUSA-N 2 1 266.473 3.523 20 0 CHADMP CCc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000469730908 1128051323 /nfs/dbraw/zinc/05/13/23/1128051323.db2.gz GZHMBKKLLZJADJ-QUCCMNQESA-N 2 1 298.474 3.698 20 0 CHADMP CCc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000469730908 1128051327 /nfs/dbraw/zinc/05/13/27/1128051327.db2.gz GZHMBKKLLZJADJ-QUCCMNQESA-N 2 1 298.474 3.698 20 0 CHADMP CCc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000469730908 1128051330 /nfs/dbraw/zinc/05/13/30/1128051330.db2.gz GZHMBKKLLZJADJ-QUCCMNQESA-N 2 1 298.474 3.698 20 0 CHADMP CCc1cccc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000469732139 1128051646 /nfs/dbraw/zinc/05/16/46/1128051646.db2.gz YXZBZIQSXMPMEM-QAPCUYQASA-N 2 1 274.452 3.554 20 0 CHADMP CCc1cccc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)c1 ZINC000469732139 1128051649 /nfs/dbraw/zinc/05/16/49/1128051649.db2.gz YXZBZIQSXMPMEM-QAPCUYQASA-N 2 1 274.452 3.554 20 0 CHADMP CCc1cccc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)c1 ZINC000469732139 1128051654 /nfs/dbraw/zinc/05/16/54/1128051654.db2.gz YXZBZIQSXMPMEM-QAPCUYQASA-N 2 1 274.452 3.554 20 0 CHADMP c1ccc([C@@H]2CCCCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000469873126 1128056922 /nfs/dbraw/zinc/05/69/22/1128056922.db2.gz XUBQYIKVWGDMCM-WMZOPIPTSA-N 2 1 272.436 3.603 20 0 CHADMP C[NH2+]C1CC[NH+](Cc2cc(-c3ccccc3)cs2)CC1 ZINC000470019104 1128061555 /nfs/dbraw/zinc/06/15/55/1128061555.db2.gz RGEJSIIAQJGYSA-UHFFFAOYSA-N 2 1 286.444 3.599 20 0 CHADMP CCC[N@@H+](C[C@@H](CC)c1ccccc1)C1CC[NH2+]CC1 ZINC000470015937 1128061875 /nfs/dbraw/zinc/06/18/75/1128061875.db2.gz CHPAMZUSVPAQTM-MRXNPFEDSA-N 2 1 274.452 3.644 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc3ccccc3[nH]2)C1 ZINC000924750474 1128112432 /nfs/dbraw/zinc/11/24/32/1128112432.db2.gz FGMRLAGXHBHUOU-CABCVRRESA-N 2 1 285.435 3.550 20 0 CHADMP [NH3+][C@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3F)c2ccccc21 ZINC000925779694 1128142527 /nfs/dbraw/zinc/14/25/27/1128142527.db2.gz ONWHCKLXATXCDK-OKZBNKHCSA-N 2 1 282.362 3.547 20 0 CHADMP Cc1oc2ccccc2c1[C@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000925812557 1128142924 /nfs/dbraw/zinc/14/29/24/1128142924.db2.gz IYCQOOXENQIODB-JSGCOSHPSA-N 2 1 295.386 3.603 20 0 CHADMP c1ccc([C@@H]2C[C@H]([NH2+]CC[C@@H]3CC[C@@H]4C[C@@H]43)CC[NH2+]2)cc1 ZINC000925804513 1128143237 /nfs/dbraw/zinc/14/32/37/1128143237.db2.gz JCFXSJFZJWRZFQ-IJCBKZNRSA-N 2 1 284.447 3.506 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1csc2ccccc12 ZINC000925815293 1128143445 /nfs/dbraw/zinc/14/34/45/1128143445.db2.gz VVIAQBQEWCTNGO-QWHCGFSZSA-N 2 1 297.427 3.763 20 0 CHADMP C/C(=C/c1ccccc1)C[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000494234849 1128167077 /nfs/dbraw/zinc/16/70/77/1128167077.db2.gz RUVPSSHURWRAJK-HRYDCMBCSA-N 2 1 272.436 3.506 20 0 CHADMP C/C(=C/c1ccccc1)C[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000494234849 1128167078 /nfs/dbraw/zinc/16/70/78/1128167078.db2.gz RUVPSSHURWRAJK-HRYDCMBCSA-N 2 1 272.436 3.506 20 0 CHADMP C/C(=C/c1ccccc1)C[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000494234849 1128167081 /nfs/dbraw/zinc/16/70/81/1128167081.db2.gz RUVPSSHURWRAJK-HRYDCMBCSA-N 2 1 272.436 3.506 20 0 CHADMP C/C(=C/c1ccccc1)C[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000494234849 1128167082 /nfs/dbraw/zinc/16/70/82/1128167082.db2.gz RUVPSSHURWRAJK-HRYDCMBCSA-N 2 1 272.436 3.506 20 0 CHADMP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cc2ccccc2[nH]1 ZINC000926338133 1128167426 /nfs/dbraw/zinc/16/74/26/1128167426.db2.gz WBGZUHBDVFGZEI-ODIFPOPNSA-N 2 1 297.446 3.835 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](C)Cc2ccccc2)CC1 ZINC000542517652 1128205536 /nfs/dbraw/zinc/20/55/36/1128205536.db2.gz IIENYAYRLMKKMP-QGZVFWFLSA-N 2 1 288.479 3.671 20 0 CHADMP C[C@@H](Cc1cccc(F)c1)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001168473326 1128208900 /nfs/dbraw/zinc/20/89/00/1128208900.db2.gz CNKKYABTYDWRCT-JKSUJKDBSA-N 2 1 292.442 3.598 20 0 CHADMP CCC[C@H](C)[N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257313090 1128231004 /nfs/dbraw/zinc/23/10/04/1128231004.db2.gz KMINHJZPVYLPOD-XIRDDKMYSA-N 2 1 266.473 3.937 20 0 CHADMP CN1CCC[C@@H](C[N@@H+](C)[C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000777783643 1128274542 /nfs/dbraw/zinc/27/45/42/1128274542.db2.gz CUHYLOYFMZSWRV-CXAGYDPISA-N 2 1 292.854 3.601 20 0 CHADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCc2cc(Cl)ccc21 ZINC000777783643 1128274552 /nfs/dbraw/zinc/27/45/52/1128274552.db2.gz CUHYLOYFMZSWRV-CXAGYDPISA-N 2 1 292.854 3.601 20 0 CHADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCc2cc(Cl)ccc21 ZINC000777783643 1128274555 /nfs/dbraw/zinc/27/45/55/1128274555.db2.gz CUHYLOYFMZSWRV-CXAGYDPISA-N 2 1 292.854 3.601 20 0 CHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCCC(C)(F)F)cc1 ZINC000930117670 1128302706 /nfs/dbraw/zinc/30/27/06/1128302706.db2.gz UASMRQSPIPNPBD-UHFFFAOYSA-N 2 1 284.394 3.615 20 0 CHADMP Cc1nc(C)c(C[N@H+]2CCC[C@H]2c2ccc(F)cc2C)[nH]1 ZINC000930663195 1128329533 /nfs/dbraw/zinc/32/95/33/1128329533.db2.gz FTNLICNGRWJNPC-KRWDZBQOSA-N 2 1 287.382 3.811 20 0 CHADMP Cc1nc(C)c(CN2CCC[C@H]2c2ccc(F)cc2C)[nH]1 ZINC000930663195 1128329538 /nfs/dbraw/zinc/32/95/38/1128329538.db2.gz FTNLICNGRWJNPC-KRWDZBQOSA-N 2 1 287.382 3.811 20 0 CHADMP CCCC[N@@H+](CCC[C@H](C)O)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034139 1128345190 /nfs/dbraw/zinc/34/51/90/1128345190.db2.gz OQZJVZUCRJLPFY-HNNXBMFYSA-N 2 1 298.515 3.559 20 0 CHADMP C[N@H+](Cc1cccc(Cl)c1)CC1CC2(C1)CC[NH2+]CC2 ZINC001235663876 1128346445 /nfs/dbraw/zinc/34/64/45/1128346445.db2.gz MOBGEWPDUXPWNX-UHFFFAOYSA-N 2 1 292.854 3.552 20 0 CHADMP CC(C)CCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000393969694 1128350894 /nfs/dbraw/zinc/35/08/94/1128350894.db2.gz OYSVGQUGBSUKAO-IEBWSBKVSA-N 2 1 288.479 3.923 20 0 CHADMP Cc1csc2sc(C[N@@H+](C)C[C@H]3CC[NH2+]C3)c(C)c12 ZINC001235841643 1128365963 /nfs/dbraw/zinc/36/59/63/1128365963.db2.gz GPKKUWGJKZYTQY-LBPRGKRZSA-N 2 1 294.489 3.621 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC1(C)C ZINC000397695090 1128378888 /nfs/dbraw/zinc/37/88/88/1128378888.db2.gz YROUGUZOFDYWRC-SZMVWBNQSA-N 2 1 286.463 3.533 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)cc1 ZINC000036996582 1128404808 /nfs/dbraw/zinc/40/48/08/1128404808.db2.gz JVDVZEQNDMISBO-APHBMKBZSA-N 2 1 278.827 3.617 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(Cl)cc1 ZINC000036996582 1128404809 /nfs/dbraw/zinc/40/48/09/1128404809.db2.gz JVDVZEQNDMISBO-APHBMKBZSA-N 2 1 278.827 3.617 20 0 CHADMP CCC(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000562834879 1128422666 /nfs/dbraw/zinc/42/26/66/1128422666.db2.gz MWEZZLUBJWURRI-IRXDYDNUSA-N 2 1 274.452 3.848 20 0 CHADMP CCC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000562834879 1128422667 /nfs/dbraw/zinc/42/26/67/1128422667.db2.gz MWEZZLUBJWURRI-IRXDYDNUSA-N 2 1 274.452 3.848 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000124358616 1128443998 /nfs/dbraw/zinc/44/39/98/1128443998.db2.gz FZQQOLQUSGVXGG-HOTGVXAUSA-N 2 1 298.474 3.700 20 0 CHADMP Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000125905444 1128456339 /nfs/dbraw/zinc/45/63/39/1128456339.db2.gz HXEYEQFSRPCCOP-IRXDYDNUSA-N 2 1 274.452 3.766 20 0 CHADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000125905228 1128456492 /nfs/dbraw/zinc/45/64/92/1128456492.db2.gz HXEYEQFSRPCCOP-SJORKVTESA-N 2 1 274.452 3.766 20 0 CHADMP CCC[C@@H](C)CC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001257468056 1128458268 /nfs/dbraw/zinc/45/82/68/1128458268.db2.gz JFKQEKQJTYIWRQ-OWCLPIDISA-N 2 1 254.462 3.523 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000126732323 1128466107 /nfs/dbraw/zinc/46/61/07/1128466107.db2.gz UGEAZMBLOCARSM-RVKKMQEKSA-N 2 1 272.436 3.556 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C(C)(C)C ZINC000126870810 1128469981 /nfs/dbraw/zinc/46/99/81/1128469981.db2.gz JQCVZUHWSUSPBH-HUUCEWRRSA-N 2 1 294.508 3.984 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C(C)(C)C ZINC000126870810 1128469984 /nfs/dbraw/zinc/46/99/84/1128469984.db2.gz JQCVZUHWSUSPBH-HUUCEWRRSA-N 2 1 294.508 3.984 20 0 CHADMP CC(C)c1ccc(CCC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000127942215 1128484368 /nfs/dbraw/zinc/48/43/68/1128484368.db2.gz DZEBOQBUVSQOGI-APWZRJJASA-N 2 1 288.479 3.815 20 0 CHADMP CCC[C@H]1[C@H](C)CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000129081705 1128530928 /nfs/dbraw/zinc/53/09/28/1128530928.db2.gz OMUKCAVDZGRLQK-WBVHZDCISA-N 2 1 277.456 3.872 20 0 CHADMP CCC[C@H]1[C@H](C)CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000129081705 1128530932 /nfs/dbraw/zinc/53/09/32/1128530932.db2.gz OMUKCAVDZGRLQK-WBVHZDCISA-N 2 1 277.456 3.872 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C)cc1 ZINC000129631689 1128546405 /nfs/dbraw/zinc/54/64/05/1128546405.db2.gz MMZSTQMJWWLDQV-OIISXLGYSA-N 2 1 260.425 3.518 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C)cc1 ZINC000129631689 1128546409 /nfs/dbraw/zinc/54/64/09/1128546409.db2.gz MMZSTQMJWWLDQV-OIISXLGYSA-N 2 1 260.425 3.518 20 0 CHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCCCF)C1 ZINC000567067495 1128557611 /nfs/dbraw/zinc/55/76/11/1128557611.db2.gz BQFZRSRNPLVESN-SJORKVTESA-N 2 1 284.463 3.713 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCCCF)C1 ZINC000567067495 1128557615 /nfs/dbraw/zinc/55/76/15/1128557615.db2.gz BQFZRSRNPLVESN-SJORKVTESA-N 2 1 284.463 3.713 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCCCF)C1 ZINC000567067495 1128557617 /nfs/dbraw/zinc/55/76/17/1128557617.db2.gz BQFZRSRNPLVESN-SJORKVTESA-N 2 1 284.463 3.713 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc(C(C)(C)C)cc1 ZINC000567088396 1128557632 /nfs/dbraw/zinc/55/76/32/1128557632.db2.gz HEECYOLMCKMRMV-XJKSGUPXSA-N 2 1 297.446 3.915 20 0 CHADMP CCC[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000567875214 1128573857 /nfs/dbraw/zinc/57/38/57/1128573857.db2.gz WYFYDWQDNRHSNL-XDNAFOTISA-N 2 1 272.436 3.600 20 0 CHADMP CCC[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000567875214 1128573859 /nfs/dbraw/zinc/57/38/59/1128573859.db2.gz WYFYDWQDNRHSNL-XDNAFOTISA-N 2 1 272.436 3.600 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000568137406 1128579060 /nfs/dbraw/zinc/57/90/60/1128579060.db2.gz AXTWFTLUTGVJQA-HRCADAONSA-N 2 1 278.484 3.808 20 0 CHADMP CC[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000071105386 1128583562 /nfs/dbraw/zinc/58/35/62/1128583562.db2.gz FMXDZQUFTILFQK-GVDBMIGSSA-N 2 1 266.473 3.809 20 0 CHADMP Cn1cncc1CCC[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000568408577 1128584490 /nfs/dbraw/zinc/58/44/90/1128584490.db2.gz RMPKCUMDSGAQEU-LJQANCHMSA-N 2 1 297.446 3.970 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000568408577 1128584492 /nfs/dbraw/zinc/58/44/92/1128584492.db2.gz RMPKCUMDSGAQEU-LJQANCHMSA-N 2 1 297.446 3.970 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000568408577 1128584494 /nfs/dbraw/zinc/58/44/94/1128584494.db2.gz RMPKCUMDSGAQEU-LJQANCHMSA-N 2 1 297.446 3.970 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000568456678 1128585288 /nfs/dbraw/zinc/58/52/88/1128585288.db2.gz JXGUQIGWVWNGGI-HOTGVXAUSA-N 2 1 262.441 3.500 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000568456678 1128585289 /nfs/dbraw/zinc/58/52/89/1128585289.db2.gz JXGUQIGWVWNGGI-HOTGVXAUSA-N 2 1 262.441 3.500 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3c(Cl)cccc32)C1 ZINC000568801505 1128592157 /nfs/dbraw/zinc/59/21/57/1128592157.db2.gz XQIQNLYGOLPVIP-DYVFJYSZSA-N 2 1 292.854 3.649 20 0 CHADMP CC[C@@H](F)CN[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000569022410 1128596953 /nfs/dbraw/zinc/59/69/53/1128596953.db2.gz QYRVPWDSUCCGCE-IAGOWNOFSA-N 2 1 292.442 3.625 20 0 CHADMP CC[C@@H](F)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000569022410 1128596956 /nfs/dbraw/zinc/59/69/56/1128596956.db2.gz QYRVPWDSUCCGCE-IAGOWNOFSA-N 2 1 292.442 3.625 20 0 CHADMP CC[C@@H](F)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000569022410 1128596958 /nfs/dbraw/zinc/59/69/58/1128596958.db2.gz QYRVPWDSUCCGCE-IAGOWNOFSA-N 2 1 292.442 3.625 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236222939 1128624272 /nfs/dbraw/zinc/62/42/72/1128624272.db2.gz KEHIOALJRMIAOP-MRXNPFEDSA-N 2 1 266.473 3.833 20 0 CHADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000556885317 1128633965 /nfs/dbraw/zinc/63/39/65/1128633965.db2.gz FKXASQJZBMTZFK-GVDBMIGSSA-N 2 1 284.463 3.615 20 0 CHADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000556885317 1128633967 /nfs/dbraw/zinc/63/39/67/1128633967.db2.gz FKXASQJZBMTZFK-GVDBMIGSSA-N 2 1 284.463 3.615 20 0 CHADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc3ccccc3c2)C1 ZINC000571924246 1128639561 /nfs/dbraw/zinc/63/95/61/1128639561.db2.gz FRIPYTIHRPDDTL-WOJBJXKFSA-N 2 1 294.442 3.756 20 0 CHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc3ccccc3c2)C1 ZINC000571924246 1128639564 /nfs/dbraw/zinc/63/95/64/1128639564.db2.gz FRIPYTIHRPDDTL-WOJBJXKFSA-N 2 1 294.442 3.756 20 0 CHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc3ccccc3c2)C1 ZINC000571924246 1128639568 /nfs/dbraw/zinc/63/95/68/1128639568.db2.gz FRIPYTIHRPDDTL-WOJBJXKFSA-N 2 1 294.442 3.756 20 0 CHADMP Cc1cc(C)c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1C ZINC000556933522 1128648268 /nfs/dbraw/zinc/64/82/68/1128648268.db2.gz LHMZWHFSJPSJIO-IBGZPJMESA-N 2 1 286.463 3.530 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1C ZINC000556933522 1128648269 /nfs/dbraw/zinc/64/82/69/1128648269.db2.gz LHMZWHFSJPSJIO-IBGZPJMESA-N 2 1 286.463 3.530 20 0 CHADMP Cc1cc(C)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1C ZINC000556933522 1128648270 /nfs/dbraw/zinc/64/82/70/1128648270.db2.gz LHMZWHFSJPSJIO-IBGZPJMESA-N 2 1 286.463 3.530 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)c3ccccc32)C1 ZINC000574114190 1128661364 /nfs/dbraw/zinc/66/13/64/1128661364.db2.gz CGNWEACSLFOWJP-HDMKZQKVSA-N 2 1 272.436 3.556 20 0 CHADMP C[N@@H+](CCC1CCCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000574962718 1128665859 /nfs/dbraw/zinc/66/58/59/1128665859.db2.gz SYNPMGQOYWZVAV-JWTNVVGKSA-N 2 1 278.484 3.904 20 0 CHADMP C[NH+](CCC1CCCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000574962718 1128665862 /nfs/dbraw/zinc/66/58/62/1128665862.db2.gz SYNPMGQOYWZVAV-JWTNVVGKSA-N 2 1 278.484 3.904 20 0 CHADMP C[NH+](CCC1CCCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000574962718 1128665863 /nfs/dbraw/zinc/66/58/63/1128665863.db2.gz SYNPMGQOYWZVAV-JWTNVVGKSA-N 2 1 278.484 3.904 20 0 CHADMP CCC[C@@H](C[N@@H+](C)CCCn1ccnc1)c1ccccc1 ZINC000577782846 1128689696 /nfs/dbraw/zinc/68/96/96/1128689696.db2.gz PBCSUCNMSHZPON-SFHVURJKSA-N 2 1 285.435 3.789 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001258053854 1128708201 /nfs/dbraw/zinc/70/82/01/1128708201.db2.gz XCRGNFWGLBIRIW-JYJNAYRXSA-N 2 1 254.462 3.521 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000034958897 1117753421 /nfs/dbraw/zinc/75/34/21/1117753421.db2.gz LXPBAYLEKRELBB-RJPYNODJSA-N 2 1 278.827 3.616 20 0 CHADMP Cc1ccc(-c2ccccc2)c(NC(=[NH2+])SCC[NH3+])c1 ZINC001167912448 1117754293 /nfs/dbraw/zinc/75/42/93/1117754293.db2.gz OEEKSCZLBIIKFI-UHFFFAOYSA-N 2 1 285.416 3.701 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(SC)s2)[C@H](C)C1 ZINC000578965646 1128734093 /nfs/dbraw/zinc/73/40/93/1128734093.db2.gz QOABLOPQDYFPJJ-TZMCWYRMSA-N 2 1 298.521 3.632 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(SC)s2)[C@H](C)C1 ZINC000578965646 1128734097 /nfs/dbraw/zinc/73/40/97/1128734097.db2.gz QOABLOPQDYFPJJ-TZMCWYRMSA-N 2 1 298.521 3.632 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(SC)s2)[C@H](C)C1 ZINC000578965646 1128734101 /nfs/dbraw/zinc/73/41/01/1128734101.db2.gz QOABLOPQDYFPJJ-TZMCWYRMSA-N 2 1 298.521 3.632 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(SC)s2)[C@H](C)C1 ZINC000578965646 1128734103 /nfs/dbraw/zinc/73/41/03/1128734103.db2.gz QOABLOPQDYFPJJ-TZMCWYRMSA-N 2 1 298.521 3.632 20 0 CHADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(C)cc1 ZINC000034996311 1117789802 /nfs/dbraw/zinc/78/98/02/1117789802.db2.gz JBGUROKNTQIYCS-QGZVFWFLSA-N 2 1 260.425 3.520 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1Cl ZINC000643546811 1117794859 /nfs/dbraw/zinc/79/48/59/1117794859.db2.gz VGWSWKZJEVTOSW-QWHCGFSZSA-N 2 1 278.827 3.665 20 0 CHADMP CCCC[C@H](CC)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623336785 1117834914 /nfs/dbraw/zinc/83/49/14/1117834914.db2.gz DYAKWZYVTLYHSD-LSDHHAIUSA-N 2 1 254.462 3.665 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCSc3ccccc32)CC1(C)C ZINC000623339872 1117837091 /nfs/dbraw/zinc/83/70/91/1117837091.db2.gz NMRHRIUCGHSQLF-DZGCQCFKSA-N 2 1 290.476 3.686 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCSc3ccccc32)CC1(C)C ZINC000623339872 1117837100 /nfs/dbraw/zinc/83/71/00/1117837100.db2.gz NMRHRIUCGHSQLF-DZGCQCFKSA-N 2 1 290.476 3.686 20 0 CHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000623379978 1117846963 /nfs/dbraw/zinc/84/69/63/1117846963.db2.gz NCYQRZRBMNGTDB-ZBFHGGJFSA-N 2 1 266.473 3.665 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)CC1(C)C ZINC000623381315 1117847006 /nfs/dbraw/zinc/84/70/06/1117847006.db2.gz NPKDVAICIQJABW-HOCLYGCPSA-N 2 1 292.854 3.790 20 0 CHADMP Cc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c(C)c1 ZINC000623410868 1117850902 /nfs/dbraw/zinc/85/09/02/1117850902.db2.gz JEABBYOWLSUQHN-AEFFLSMTSA-N 2 1 288.479 3.697 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CCC2=CCCCCC2)CC1(C)C ZINC000623494239 1117862253 /nfs/dbraw/zinc/86/22/53/1117862253.db2.gz IMQNNUUTNHDVQQ-MRXNPFEDSA-N 2 1 264.457 3.729 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCCC(F)(F)C2)CC1(C)C ZINC000623529461 1117867627 /nfs/dbraw/zinc/86/76/27/1117867627.db2.gz JGBTZBSKPJVVQT-KBPBESRZSA-N 2 1 288.426 3.664 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CC[C@@H]2CCc3ccccc32)CC1(C)C ZINC000623534953 1117868519 /nfs/dbraw/zinc/86/85/19/1117868519.db2.gz GLCBLDBLSCPLET-DLBZAZTESA-N 2 1 286.463 3.569 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCc3ccccc32)CC1(C)C ZINC000623534956 1117868582 /nfs/dbraw/zinc/86/85/82/1117868582.db2.gz GLCBLDBLSCPLET-SJORKVTESA-N 2 1 286.463 3.569 20 0 CHADMP CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623537857 1117870122 /nfs/dbraw/zinc/87/01/22/1117870122.db2.gz KOXJRTQQDOGCNK-HUUCEWRRSA-N 2 1 252.446 3.584 20 0 CHADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657761 1117885388 /nfs/dbraw/zinc/88/53/88/1117885388.db2.gz YGQHFTCKSTXLPU-ZBFHGGJFSA-N 2 1 294.870 3.593 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2F)CC[N@@H+]1Cc1ccccc1 ZINC000339583900 1117889904 /nfs/dbraw/zinc/88/99/04/1117889904.db2.gz KLGDKVHTIXYVPM-VDHUWJSZSA-N 2 1 290.426 3.520 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2F)CC[N@H+]1Cc1ccccc1 ZINC000339583900 1117889908 /nfs/dbraw/zinc/88/99/08/1117889908.db2.gz KLGDKVHTIXYVPM-VDHUWJSZSA-N 2 1 290.426 3.520 20 0 CHADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000579825292 1117890540 /nfs/dbraw/zinc/89/05/40/1117890540.db2.gz XNGKOJMKSWKUHN-OAHLLOKOSA-N 2 1 299.418 3.524 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000178696230 1117895047 /nfs/dbraw/zinc/89/50/47/1117895047.db2.gz MAEFABGCKGXYHU-CVEARBPZSA-N 2 1 299.462 3.784 20 0 CHADMP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)C1CCCCC1 ZINC000178787493 1117896122 /nfs/dbraw/zinc/89/61/22/1117896122.db2.gz LUMWQBJYYZYQSM-QGZVFWFLSA-N 2 1 277.456 3.920 20 0 CHADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000349422431 1117898222 /nfs/dbraw/zinc/89/82/22/1117898222.db2.gz JHAULRNOIWCYIY-GOSISDBHSA-N 2 1 284.447 3.532 20 0 CHADMP CCC[N@@H+]1C[C@@H]2C[NH+](CC[C@@H](C)CC(C)(C)C)C[C@@H]2C1 ZINC001208667090 1117906635 /nfs/dbraw/zinc/90/66/35/1117906635.db2.gz XLJKIWQPRSBJLZ-ZACQAIPSSA-N 2 1 280.500 3.722 20 0 CHADMP CCC[NH+]1C[C@@H]2C[N@@H+](CC[C@@H](C)CC(C)(C)C)C[C@@H]2C1 ZINC001208667090 1117906639 /nfs/dbraw/zinc/90/66/39/1117906639.db2.gz XLJKIWQPRSBJLZ-ZACQAIPSSA-N 2 1 280.500 3.722 20 0 CHADMP CCC[NH+]1C[C@@H]2C[N@H+](CC[C@@H](C)CC(C)(C)C)C[C@@H]2C1 ZINC001208667090 1117906642 /nfs/dbraw/zinc/90/66/42/1117906642.db2.gz XLJKIWQPRSBJLZ-ZACQAIPSSA-N 2 1 280.500 3.722 20 0 CHADMP CC(C)(CC[NH+]1CCC([NH+]2CCC2)CC1)c1ccccc1 ZINC001208674042 1117908195 /nfs/dbraw/zinc/90/81/95/1117908195.db2.gz ZNXNVHMUCXNKOM-UHFFFAOYSA-N 2 1 286.463 3.524 20 0 CHADMP Fc1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000579272791 1128743232 /nfs/dbraw/zinc/74/32/32/1128743232.db2.gz WFIAOHXFMKTHLX-UHFFFAOYSA-N 2 1 290.426 3.712 20 0 CHADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(C)ccc1C ZINC000623995611 1117966558 /nfs/dbraw/zinc/96/65/58/1117966558.db2.gz CHDBQHLOVBOBGA-PHSGOXPASA-N 2 1 286.463 3.969 20 0 CHADMP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000579877964 1117979593 /nfs/dbraw/zinc/97/95/93/1117979593.db2.gz YMOACVAIBDUHCM-GVDBMIGSSA-N 2 1 268.489 3.911 20 0 CHADMP CSc1ccc(Cl)cc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206805718 1117980672 /nfs/dbraw/zinc/98/06/72/1117980672.db2.gz CWCJDZQVIJTEPX-VXGBXAGGSA-N 2 1 298.883 3.621 20 0 CHADMP CSc1ccc(Cl)cc1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206805718 1117980674 /nfs/dbraw/zinc/98/06/74/1117980674.db2.gz CWCJDZQVIJTEPX-VXGBXAGGSA-N 2 1 298.883 3.621 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)s1 ZINC000624120111 1117985539 /nfs/dbraw/zinc/98/55/39/1117985539.db2.gz RLJGOPDYQWZVFV-RYUDHWBXSA-N 2 1 286.872 3.784 20 0 CHADMP Cc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624120856 1117985752 /nfs/dbraw/zinc/98/57/52/1117985752.db2.gz IMCATEHOGOLJDT-PKOBYXMFSA-N 2 1 288.479 3.638 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccccc1Cl ZINC000624120374 1117985766 /nfs/dbraw/zinc/98/57/66/1117985766.db2.gz XPSCMRZYHSJDAZ-KBPBESRZSA-N 2 1 280.843 3.723 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(F)c1 ZINC000624123741 1117986666 /nfs/dbraw/zinc/98/66/66/1117986666.db2.gz RVKLLIKBYSUEIZ-WMLDXEAASA-N 2 1 278.415 3.598 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000380634504 1118002651 /nfs/dbraw/zinc/00/26/51/1118002651.db2.gz JBQICRLVNHJGFC-SJORKVTESA-N 2 1 278.484 3.809 20 0 CHADMP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC000182073336 1118012910 /nfs/dbraw/zinc/01/29/10/1118012910.db2.gz QUJXBOKCFNIFSO-DYVFJYSZSA-N 2 1 296.405 3.593 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3cc(F)ccc32)C1 ZINC000182564127 1118024425 /nfs/dbraw/zinc/02/44/25/1118024425.db2.gz WLRAOQLBVXACLD-KBXCAEBGSA-N 2 1 290.426 3.525 20 0 CHADMP CCc1ccc([C@@H](CC)[NH2+]C[C@H]2CC[N@@H+](CC)C2)cc1 ZINC000037644303 1118033483 /nfs/dbraw/zinc/03/34/83/1118033483.db2.gz OPCSDHWVIFNUBL-SJLPKXTDSA-N 2 1 274.452 3.632 20 0 CHADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000300308392 1118036263 /nfs/dbraw/zinc/03/62/63/1118036263.db2.gz IWRRPFUUXYSGQF-GVDBMIGSSA-N 2 1 266.473 3.523 20 0 CHADMP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000125752330 1118036904 /nfs/dbraw/zinc/03/69/04/1118036904.db2.gz LDRFNBYFVLPZLI-LPHOPBHVSA-N 2 1 286.463 3.692 20 0 CHADMP CCSCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183140933 1118038162 /nfs/dbraw/zinc/03/81/62/1118038162.db2.gz UGXLZGDZTAQKGX-CYBMUJFWSA-N 2 1 289.448 3.584 20 0 CHADMP C[N@@H+](CCCNCc1ccc(F)cc1)C1CCCCC1 ZINC000037860281 1118041170 /nfs/dbraw/zinc/04/11/70/1118041170.db2.gz MTGNPWBEIVVBPK-UHFFFAOYSA-N 2 1 278.415 3.570 20 0 CHADMP C[N@H+](CCC[NH2+]Cc1ccc(F)cc1)C1CCCCC1 ZINC000037860281 1118041173 /nfs/dbraw/zinc/04/11/73/1118041173.db2.gz MTGNPWBEIVVBPK-UHFFFAOYSA-N 2 1 278.415 3.570 20 0 CHADMP C[N@@H+](CCC[NH2+]Cc1ccc(F)cc1)C1CCCCC1 ZINC000037860281 1118041178 /nfs/dbraw/zinc/04/11/78/1118041178.db2.gz MTGNPWBEIVVBPK-UHFFFAOYSA-N 2 1 278.415 3.570 20 0 CHADMP Cc1cc(C)cc([C@@H]2CC[N@@H+](CCC[NH+]3CCCC3)C2)c1 ZINC000183472079 1118044928 /nfs/dbraw/zinc/04/49/28/1118044928.db2.gz GCOGXVIRBQINPG-GOSISDBHSA-N 2 1 286.463 3.579 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@@H](c2ncccc2C)C(C)C)CC1 ZINC000120447690 1118048589 /nfs/dbraw/zinc/04/85/89/1118048589.db2.gz LCWKGLFYVULLJK-QGZVFWFLSA-N 2 1 289.467 3.551 20 0 CHADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001209431486 1118053829 /nfs/dbraw/zinc/05/38/29/1118053829.db2.gz OQBKHMNBDZLFJD-RLLQIKCJSA-N 2 1 298.474 3.631 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001209431486 1118053833 /nfs/dbraw/zinc/05/38/33/1118053833.db2.gz OQBKHMNBDZLFJD-RLLQIKCJSA-N 2 1 298.474 3.631 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001209431486 1118053835 /nfs/dbraw/zinc/05/38/35/1118053835.db2.gz OQBKHMNBDZLFJD-RLLQIKCJSA-N 2 1 298.474 3.631 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CCC(C)(C)C)C1 ZINC000579620818 1128752898 /nfs/dbraw/zinc/75/28/98/1128752898.db2.gz CXMCFARMQMXPBY-JKSUJKDBSA-N 2 1 268.489 3.911 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccoc1 ZINC000370662126 1118063690 /nfs/dbraw/zinc/06/36/90/1118063690.db2.gz IYMUFVISIMOLLW-JTDSTZFVSA-N 2 1 298.430 3.841 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccoc1 ZINC000370662126 1118063695 /nfs/dbraw/zinc/06/36/95/1118063695.db2.gz IYMUFVISIMOLLW-JTDSTZFVSA-N 2 1 298.430 3.841 20 0 CHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C(F)F)cc2)[C@@H]1CC[NH3+] ZINC000404427246 1118064953 /nfs/dbraw/zinc/06/49/53/1118064953.db2.gz MHCASCPKTIOYDF-SWLSCSKDSA-N 2 1 282.378 3.574 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CCC(C)(C)C)C1 ZINC000579620815 1128753467 /nfs/dbraw/zinc/75/34/67/1128753467.db2.gz CXMCFARMQMXPBY-CVEARBPZSA-N 2 1 268.489 3.911 20 0 CHADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000193458345 1118067084 /nfs/dbraw/zinc/06/70/84/1118067084.db2.gz FANLVSCGUIBXIJ-SFHVURJKSA-N 2 1 290.451 3.564 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000193458345 1118067090 /nfs/dbraw/zinc/06/70/90/1118067090.db2.gz FANLVSCGUIBXIJ-SFHVURJKSA-N 2 1 290.451 3.564 20 0 CHADMP CCC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398144262 1118088339 /nfs/dbraw/zinc/08/83/39/1118088339.db2.gz NJZYINDYJAWFAU-SJLPKXTDSA-N 2 1 288.479 3.923 20 0 CHADMP CCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398144262 1118088342 /nfs/dbraw/zinc/08/83/42/1118088342.db2.gz NJZYINDYJAWFAU-SJLPKXTDSA-N 2 1 288.479 3.923 20 0 CHADMP C[C@H](CCC1CCCCC1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000248173696 1118101595 /nfs/dbraw/zinc/10/15/95/1118101595.db2.gz VFFPUXZFPBKTNJ-INMHGKMJSA-N 2 1 266.473 3.808 20 0 CHADMP C[C@H](CCC1CCCCC1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248173696 1118101597 /nfs/dbraw/zinc/10/15/97/1118101597.db2.gz VFFPUXZFPBKTNJ-INMHGKMJSA-N 2 1 266.473 3.808 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2csc3ccccc23)C1 ZINC000049949238 1118134231 /nfs/dbraw/zinc/13/42/31/1118134231.db2.gz HXEQDGOBBHARQF-CQSZACIVSA-N 2 1 288.460 3.721 20 0 CHADMP C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1csc2ccccc12 ZINC000340371592 1118147715 /nfs/dbraw/zinc/14/77/15/1118147715.db2.gz UFLYZAFHOSHYFR-HNNXBMFYSA-N 2 1 288.460 3.817 20 0 CHADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1csc2ccccc12 ZINC000340371592 1118147716 /nfs/dbraw/zinc/14/77/16/1118147716.db2.gz UFLYZAFHOSHYFR-HNNXBMFYSA-N 2 1 288.460 3.817 20 0 CHADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1csc2ccccc12 ZINC000340371592 1118147719 /nfs/dbraw/zinc/14/77/19/1118147719.db2.gz UFLYZAFHOSHYFR-HNNXBMFYSA-N 2 1 288.460 3.817 20 0 CHADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1csc2ccccc12 ZINC000340371592 1118147720 /nfs/dbraw/zinc/14/77/20/1118147720.db2.gz UFLYZAFHOSHYFR-HNNXBMFYSA-N 2 1 288.460 3.817 20 0 CHADMP Cc1occc1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000765395186 1118148184 /nfs/dbraw/zinc/14/81/84/1118148184.db2.gz FFHXAHDTNJZUGI-UHFFFAOYSA-N 2 1 290.451 3.722 20 0 CHADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000655695249 1118187289 /nfs/dbraw/zinc/18/72/89/1118187289.db2.gz VNSVSJMJNKHYBV-SQNIBIBYSA-N 2 1 284.447 3.507 20 0 CHADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000655695247 1118187333 /nfs/dbraw/zinc/18/73/33/1118187333.db2.gz VNSVSJMJNKHYBV-KSZLIROESA-N 2 1 284.447 3.507 20 0 CHADMP Cc1cc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001648811637 1118189125 /nfs/dbraw/zinc/18/91/25/1118189125.db2.gz SLVUFCYOESSIRZ-GASCZTMLSA-N 2 1 294.508 3.904 20 0 CHADMP CCC[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000121449256 1118230829 /nfs/dbraw/zinc/23/08/29/1118230829.db2.gz CLCDIPRKOXFOEV-VQIMIIECSA-N 2 1 299.462 3.829 20 0 CHADMP CC[C@H](C)[C@H]1CCCC[N@H+]1CCC[NH+](CC)CC ZINC001652547109 1118272113 /nfs/dbraw/zinc/27/21/13/1118272113.db2.gz WYCFHWVVRXZAKR-JKSUJKDBSA-N 2 1 254.462 3.619 20 0 CHADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCC34CCC4)CC2)cc1 ZINC000282189724 1118281136 /nfs/dbraw/zinc/28/11/36/1118281136.db2.gz NGQCYVQUYNZVFB-LJQANCHMSA-N 2 1 298.474 3.616 20 0 CHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]CC1(C)CC1 ZINC000683765545 1118345994 /nfs/dbraw/zinc/34/59/94/1118345994.db2.gz VGMPEZJIROLKRZ-INIZCTEOSA-N 2 1 286.463 3.951 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](CC)Cc1cccs1 ZINC000671770672 1118363485 /nfs/dbraw/zinc/36/34/85/1118363485.db2.gz WXQQTPVEOJTPBO-CABCVRRESA-N 2 1 280.481 3.533 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](CC)Cc1cccs1 ZINC000671770672 1118363490 /nfs/dbraw/zinc/36/34/90/1118363490.db2.gz WXQQTPVEOJTPBO-CABCVRRESA-N 2 1 280.481 3.533 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](CC)Cc1cccs1 ZINC000671770673 1118364089 /nfs/dbraw/zinc/36/40/89/1118364089.db2.gz WXQQTPVEOJTPBO-GJZGRUSLSA-N 2 1 280.481 3.533 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](CC)Cc1cccs1 ZINC000671770673 1118364093 /nfs/dbraw/zinc/36/40/93/1118364093.db2.gz WXQQTPVEOJTPBO-GJZGRUSLSA-N 2 1 280.481 3.533 20 0 CHADMP CC[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)CC1CC1 ZINC001167363700 1118394774 /nfs/dbraw/zinc/39/47/74/1118394774.db2.gz HLHKIUROBWOQJF-UHFFFAOYSA-N 2 1 286.463 3.904 20 0 CHADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC[C@H](C)CC1 ZINC001649270674 1118477825 /nfs/dbraw/zinc/47/78/25/1118477825.db2.gz WIJYMVRCPFWBQI-YESZJQIVSA-N 2 1 266.473 3.809 20 0 CHADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC[C@H](C)CC1 ZINC001649270674 1118477826 /nfs/dbraw/zinc/47/78/26/1118477826.db2.gz WIJYMVRCPFWBQI-YESZJQIVSA-N 2 1 266.473 3.809 20 0 CHADMP Cc1ccccc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000580841129 1118513401 /nfs/dbraw/zinc/51/34/01/1118513401.db2.gz IGZNFPCKQNYEMK-APWZRJJASA-N 2 1 294.442 3.974 20 0 CHADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc(Cl)c1 ZINC000341106575 1118602889 /nfs/dbraw/zinc/60/28/89/1118602889.db2.gz QUUPOAOXWFRTAI-CVEARBPZSA-N 2 1 280.843 3.865 20 0 CHADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656784044 1118657412 /nfs/dbraw/zinc/65/74/12/1118657412.db2.gz XYIRBZRIAOEMAP-AABGKKOBSA-N 2 1 298.474 3.502 20 0 CHADMP Clc1cscc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656784139 1118657418 /nfs/dbraw/zinc/65/74/18/1118657418.db2.gz YXAWUQGLPOXSOA-ZDUSSCGKSA-N 2 1 298.883 3.613 20 0 CHADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(C2CCCC2)c1 ZINC000656786772 1118659129 /nfs/dbraw/zinc/65/91/29/1118659129.db2.gz QHHCQELRTRFOSH-ZBFHGGJFSA-N 2 1 272.436 3.513 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH2+]C(C)(C)C[NH+]2CCCC2)C1 ZINC000308627817 1118678786 /nfs/dbraw/zinc/67/87/86/1118678786.db2.gz JQNZZLVENGMTAC-CVEARBPZSA-N 2 1 266.473 3.667 20 0 CHADMP CCc1ccc([C@H]([NH2+]CCc2c[nH+]cn2C)C(C)C)cc1 ZINC000471755877 1118713911 /nfs/dbraw/zinc/71/39/11/1118713911.db2.gz GWQHULBKGOKKBH-GOSISDBHSA-N 2 1 285.435 3.512 20 0 CHADMP CCCc1ccc([C@@H]([NH2+]CCc2c[nH+]cn2C)C(C)C)cc1 ZINC000471771415 1118721991 /nfs/dbraw/zinc/72/19/91/1118721991.db2.gz MENSYDMUENEOMF-IBGZPJMESA-N 2 1 299.462 3.902 20 0 CHADMP CC1(C)[C@@H]2C[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C[C@@H]21 ZINC001167488417 1118728961 /nfs/dbraw/zinc/72/89/61/1118728961.db2.gz ZQJGGHDDRZCIDR-KDURUIRLSA-N 2 1 298.474 3.760 20 0 CHADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000131716148 1118762649 /nfs/dbraw/zinc/76/26/49/1118762649.db2.gz UUGHBUDXMHIMDE-QLFBSQMISA-N 2 1 274.452 3.714 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@@H]3C3CCC3)CC2)cc1 ZINC000510723425 1118796646 /nfs/dbraw/zinc/79/66/46/1118796646.db2.gz QWQVJWHLEQONGF-UXHICEINSA-N 2 1 298.474 3.819 20 0 CHADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000510722974 1118797951 /nfs/dbraw/zinc/79/79/51/1118797951.db2.gz QRGPXVCWZRUJAX-KBPBESRZSA-N 2 1 298.421 3.606 20 0 CHADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000510722974 1118797953 /nfs/dbraw/zinc/79/79/53/1118797953.db2.gz QRGPXVCWZRUJAX-KBPBESRZSA-N 2 1 298.421 3.606 20 0 CHADMP CCSc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000349599303 1118816800 /nfs/dbraw/zinc/81/68/00/1118816800.db2.gz NWPDVJMEMPOYJS-IAGOWNOFSA-N 2 1 290.476 3.515 20 0 CHADMP CCSc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000349599303 1118816802 /nfs/dbraw/zinc/81/68/02/1118816802.db2.gz NWPDVJMEMPOYJS-IAGOWNOFSA-N 2 1 290.476 3.515 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000092565122 1118856325 /nfs/dbraw/zinc/85/63/25/1118856325.db2.gz DLFCCGNRGGPMMF-ZACQAIPSSA-N 2 1 266.473 3.523 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)CCOC2CCCCCC2)CC1 ZINC000158076533 1118918156 /nfs/dbraw/zinc/91/81/56/1118918156.db2.gz CIPZSFGGYRZBSW-UHFFFAOYSA-N 2 1 296.499 3.532 20 0 CHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](CC)c2ccc(F)cc2F)C1 ZINC000151120287 1118921590 /nfs/dbraw/zinc/92/15/90/1118921590.db2.gz BGAIGVAKQBFPBG-DYVFJYSZSA-N 2 1 296.405 3.737 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)c2ccc(F)cc2F)C1 ZINC000151120287 1118921593 /nfs/dbraw/zinc/92/15/93/1118921593.db2.gz BGAIGVAKQBFPBG-DYVFJYSZSA-N 2 1 296.405 3.737 20 0 CHADMP C1CC([C@@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C2CCCC2)C1 ZINC000647235526 1118957311 /nfs/dbraw/zinc/95/73/11/1118957311.db2.gz KXQOAPUVGQRXSG-BZSNNMDCSA-N 2 1 276.468 3.562 20 0 CHADMP Clc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663347631 1118957801 /nfs/dbraw/zinc/95/78/01/1118957801.db2.gz QUTLJJUFCSXGDH-ZDUSSCGKSA-N 2 1 298.883 3.613 20 0 CHADMP Clc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663347631 1118957804 /nfs/dbraw/zinc/95/78/04/1118957804.db2.gz QUTLJJUFCSXGDH-ZDUSSCGKSA-N 2 1 298.883 3.613 20 0 CHADMP Clc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663347630 1118958660 /nfs/dbraw/zinc/95/86/60/1118958660.db2.gz QUTLJJUFCSXGDH-CYBMUJFWSA-N 2 1 298.883 3.613 20 0 CHADMP Clc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663347630 1118958663 /nfs/dbraw/zinc/95/86/63/1118958663.db2.gz QUTLJJUFCSXGDH-CYBMUJFWSA-N 2 1 298.883 3.613 20 0 CHADMP CCC[NH+]1CCC([NH2+]Cc2cccc(SCC)c2)CC1 ZINC000472073150 1118958683 /nfs/dbraw/zinc/95/86/83/1118958683.db2.gz IUYRSWMUMWWFJP-UHFFFAOYSA-N 2 1 292.492 3.763 20 0 CHADMP C[NH+]1CCC([NH2+]Cc2cccc(C3CCCC3)c2)CC1 ZINC000657294245 1118962835 /nfs/dbraw/zinc/96/28/35/1118962835.db2.gz JPQLUTAGIJYFDG-UHFFFAOYSA-N 2 1 272.436 3.528 20 0 CHADMP CCC[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(F)cc1F ZINC000342271743 1118963639 /nfs/dbraw/zinc/96/36/39/1118963639.db2.gz XZSHLKWLSYVEHD-PBHICJAKSA-N 2 1 296.405 3.880 20 0 CHADMP CCC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(F)cc1F ZINC000342271743 1118963642 /nfs/dbraw/zinc/96/36/42/1118963642.db2.gz XZSHLKWLSYVEHD-PBHICJAKSA-N 2 1 296.405 3.880 20 0 CHADMP CCc1cccc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)oc21 ZINC000657313772 1118988588 /nfs/dbraw/zinc/98/85/88/1118988588.db2.gz OMXVSDBAGQORJY-SJORKVTESA-N 2 1 298.430 3.712 20 0 CHADMP CCc1cccc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)oc21 ZINC000657313772 1118988591 /nfs/dbraw/zinc/98/85/91/1118988591.db2.gz OMXVSDBAGQORJY-SJORKVTESA-N 2 1 298.430 3.712 20 0 CHADMP C[C@@H](C1CC1)[N@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000582070749 1119000776 /nfs/dbraw/zinc/00/07/76/1119000776.db2.gz WTZKCCDKVLRTHE-INIZCTEOSA-N 2 1 297.446 3.653 20 0 CHADMP C[C@@H](C1CC1)[N@@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000582070749 1119000781 /nfs/dbraw/zinc/00/07/81/1119000781.db2.gz WTZKCCDKVLRTHE-INIZCTEOSA-N 2 1 297.446 3.653 20 0 CHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(C)(C)C)CC1 ZINC000472171343 1119014914 /nfs/dbraw/zinc/01/49/14/1119014914.db2.gz CNJZYXSNWDJIOH-MRXNPFEDSA-N 2 1 266.473 3.619 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCC(C2CCC2)CC1 ZINC000657347045 1119016202 /nfs/dbraw/zinc/01/62/02/1119016202.db2.gz MMKXCTBEVDZJFR-NNGSBXSVSA-N 2 1 289.467 3.776 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000342539637 1119073253 /nfs/dbraw/zinc/07/32/53/1119073253.db2.gz AKZLWLLVPYOEAW-UHFFFAOYSA-N 2 1 298.217 3.630 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000342539637 1119073258 /nfs/dbraw/zinc/07/32/58/1119073258.db2.gz AKZLWLLVPYOEAW-UHFFFAOYSA-N 2 1 298.217 3.630 20 0 CHADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC[C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC001167575545 1119085615 /nfs/dbraw/zinc/08/56/15/1119085615.db2.gz CSHYGTYEQXZZPG-VSZNYVQBSA-N 2 1 280.500 3.722 20 0 CHADMP CCC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000159267441 1119111461 /nfs/dbraw/zinc/11/14/61/1119111461.db2.gz NKQBGJUUIJTTGL-SFHVURJKSA-N 2 1 290.451 3.610 20 0 CHADMP CC[NH+]1CCC([N@H+](C)CCC2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001167586471 1119121172 /nfs/dbraw/zinc/12/11/72/1119121172.db2.gz MWHIPMAKEOKJHH-HOTGVXAUSA-N 2 1 280.500 3.865 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)CCC2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001167586471 1119121174 /nfs/dbraw/zinc/12/11/74/1119121174.db2.gz MWHIPMAKEOKJHH-HOTGVXAUSA-N 2 1 280.500 3.865 20 0 CHADMP C([NH2+][C@H]1CCCC[C@@H]1C1CC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663465109 1119145757 /nfs/dbraw/zinc/14/57/57/1119145757.db2.gz IBISMPHMZSYELW-QRQLOZEOSA-N 2 1 290.495 3.667 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000628201308 1128827476 /nfs/dbraw/zinc/82/74/76/1128827476.db2.gz AUXGOIMQIQSPGM-HOTGVXAUSA-N 2 1 285.435 3.529 20 0 CHADMP Cc1ccc([C@H](C)C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000628213896 1128829454 /nfs/dbraw/zinc/82/94/54/1128829454.db2.gz CKKCBVHHZZEKGB-QZTJIDSGSA-N 2 1 288.479 3.809 20 0 CHADMP Cc1nccn1CCC[N@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000342863718 1119217060 /nfs/dbraw/zinc/21/70/60/1119217060.db2.gz IZPKKCPZSHKXTF-HNNXBMFYSA-N 2 1 283.419 3.807 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000342863718 1119217062 /nfs/dbraw/zinc/21/70/62/1119217062.db2.gz IZPKKCPZSHKXTF-HNNXBMFYSA-N 2 1 283.419 3.807 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000342863718 1119217066 /nfs/dbraw/zinc/21/70/66/1119217066.db2.gz IZPKKCPZSHKXTF-HNNXBMFYSA-N 2 1 283.419 3.807 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCc3c(Cl)cccc32)CC1 ZINC000349786946 1119224845 /nfs/dbraw/zinc/22/48/45/1119224845.db2.gz ZEHWAWORHSQDKK-QGZVFWFLSA-N 2 1 290.838 3.569 20 0 CHADMP Cc1c2ccccc2oc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000120016508 1119227736 /nfs/dbraw/zinc/22/77/36/1119227736.db2.gz QUQXJRVABUDWKB-WOSRLPQWSA-N 2 1 286.419 3.560 20 0 CHADMP Cc1c2ccccc2oc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000120016508 1119227738 /nfs/dbraw/zinc/22/77/38/1119227738.db2.gz QUQXJRVABUDWKB-WOSRLPQWSA-N 2 1 286.419 3.560 20 0 CHADMP Cc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)o1 ZINC000246572416 1128833701 /nfs/dbraw/zinc/83/37/01/1128833701.db2.gz SSFQSZYSJJNDMM-YJBOKZPZSA-N 2 1 298.430 3.731 20 0 CHADMP CCCC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CCC1 ZINC000628280884 1128842498 /nfs/dbraw/zinc/84/24/98/1128842498.db2.gz NJUGXZDCQBAUAS-HOTGVXAUSA-N 2 1 266.473 3.808 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2CC3(CCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000448063997 1119369936 /nfs/dbraw/zinc/36/99/36/1119369936.db2.gz MNHHLECLMRSKOA-WMZOPIPTSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2CC3(CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000448063997 1119369939 /nfs/dbraw/zinc/36/99/39/1119369939.db2.gz MNHHLECLMRSKOA-WMZOPIPTSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CC1 ZINC000657773356 1119382766 /nfs/dbraw/zinc/38/27/66/1119382766.db2.gz QSYFFCBJONRBEQ-QFBILLFUSA-N 2 1 298.474 3.677 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000261642421 1119391997 /nfs/dbraw/zinc/39/19/97/1119391997.db2.gz LFUVZJGNKGKHRC-KGLIPLIRSA-N 2 1 292.854 3.865 20 0 CHADMP CCC(CC)[C@H](C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000250394567 1119424980 /nfs/dbraw/zinc/42/49/80/1119424980.db2.gz JFYCKTJOMHSZFU-ABFRBSLYSA-N 2 1 268.489 3.767 20 0 CHADMP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000151212069 1119437445 /nfs/dbraw/zinc/43/74/45/1119437445.db2.gz RVJKRPZPAXYZKT-SJLPKXTDSA-N 2 1 288.479 3.817 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000657824225 1119470499 /nfs/dbraw/zinc/47/04/99/1119470499.db2.gz SEQQFMGFJNBUDS-LBPRGKRZSA-N 2 1 297.393 3.544 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCSCC1 ZINC000657837982 1119498878 /nfs/dbraw/zinc/49/88/78/1119498878.db2.gz LMGJZPAUKXALFC-JKSUJKDBSA-N 2 1 284.513 3.516 20 0 CHADMP c1oc2ccccc2c1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000343743342 1119500586 /nfs/dbraw/zinc/50/05/86/1119500586.db2.gz UKKUTELHCOUVLB-UHFFFAOYSA-N 2 1 284.403 3.539 20 0 CHADMP C[C@H]([NH2+]C[C@H](C1CCCCC1)[NH+](C)C)C(C)(C)C(F)F ZINC000657839801 1119503438 /nfs/dbraw/zinc/50/34/38/1119503438.db2.gz GXQFHCCLXJSUPJ-GXTWGEPZSA-N 2 1 290.442 3.766 20 0 CHADMP Clc1ccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)s1 ZINC000080933648 1119505797 /nfs/dbraw/zinc/50/57/97/1119505797.db2.gz PHRQSYMOKNSNOU-JTQLQIEISA-N 2 1 281.812 3.504 20 0 CHADMP Clc1ccc(CN2CCC[C@H](c3ncc[nH]3)C2)s1 ZINC000080933648 1119505799 /nfs/dbraw/zinc/50/57/99/1119505799.db2.gz PHRQSYMOKNSNOU-JTQLQIEISA-N 2 1 281.812 3.504 20 0 CHADMP c1ccc(CC2(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000090392630 1119544320 /nfs/dbraw/zinc/54/43/20/1119544320.db2.gz BHGOVFZRWALYQI-RBUKOAKNSA-N 2 1 298.474 3.616 20 0 CHADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683619 1119571835 /nfs/dbraw/zinc/57/18/35/1119571835.db2.gz SQTRIKJGZDPUTP-HOJAQTOUSA-N 2 1 298.474 3.598 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCCSCC2)c1 ZINC000657871349 1119580440 /nfs/dbraw/zinc/58/04/40/1119580440.db2.gz JTYWADSTXVCAEX-KRWDZBQOSA-N 2 1 292.492 3.514 20 0 CHADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000685662205 1119649148 /nfs/dbraw/zinc/64/91/48/1119649148.db2.gz BYIMFULDXBEMJG-UONOGXRCSA-N 2 1 298.421 3.604 20 0 CHADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000685662205 1119649150 /nfs/dbraw/zinc/64/91/50/1119649150.db2.gz BYIMFULDXBEMJG-UONOGXRCSA-N 2 1 298.421 3.604 20 0 CHADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309697079 1119649909 /nfs/dbraw/zinc/64/99/09/1119649909.db2.gz FFZUTTYIINLWSI-QRQLOZEOSA-N 2 1 286.463 3.677 20 0 CHADMP CCC(CC)C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309746207 1119659827 /nfs/dbraw/zinc/65/98/27/1119659827.db2.gz UJXQQBLBVJNIHT-LJQANCHMSA-N 2 1 288.479 3.924 20 0 CHADMP CC(C)[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1F ZINC000658165417 1119695272 /nfs/dbraw/zinc/69/52/72/1119695272.db2.gz DVTBPIHTDOASHX-GOSISDBHSA-N 2 1 290.426 3.739 20 0 CHADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1F ZINC000658166350 1119695387 /nfs/dbraw/zinc/69/53/87/1119695387.db2.gz KCQOEVWRICMRST-KEYYUXOJSA-N 2 1 278.415 3.595 20 0 CHADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1F ZINC000658166350 1119695389 /nfs/dbraw/zinc/69/53/89/1119695389.db2.gz KCQOEVWRICMRST-KEYYUXOJSA-N 2 1 278.415 3.595 20 0 CHADMP C[C@H]([NH2+]CCC(C)(C)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658191121 1119698097 /nfs/dbraw/zinc/69/80/97/1119698097.db2.gz KNWGDPXXHJBAKK-RDJZCZTQSA-N 2 1 292.442 3.625 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC(C)(C)F)cc1 ZINC000658193450 1119700237 /nfs/dbraw/zinc/70/02/37/1119700237.db2.gz UZWSGMCRDAGXAS-ZDUSSCGKSA-N 2 1 289.398 3.970 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccsc2)C[C@@H]1c1ccccc1 ZINC000340180628 1119745395 /nfs/dbraw/zinc/74/53/95/1119745395.db2.gz JIRQWQDAUBSHLS-IAGOWNOFSA-N 2 1 286.444 3.673 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccsc2)C[C@@H]1c1ccccc1 ZINC000340180628 1119745397 /nfs/dbraw/zinc/74/53/97/1119745397.db2.gz JIRQWQDAUBSHLS-IAGOWNOFSA-N 2 1 286.444 3.673 20 0 CHADMP CCCn1ccnc1CCC[N@@H+](C)Cc1cccc(C)c1C ZINC000570287156 1119816119 /nfs/dbraw/zinc/81/61/19/1119816119.db2.gz VCEXJSRMMKFAEB-UHFFFAOYSA-N 2 1 299.462 3.975 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(C)c1C ZINC000570287156 1119816121 /nfs/dbraw/zinc/81/61/21/1119816121.db2.gz VCEXJSRMMKFAEB-UHFFFAOYSA-N 2 1 299.462 3.975 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(C)c1C ZINC000570287156 1119816127 /nfs/dbraw/zinc/81/61/27/1119816127.db2.gz VCEXJSRMMKFAEB-UHFFFAOYSA-N 2 1 299.462 3.975 20 0 CHADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc4cccccc3-4)C[C@H]2CC1 ZINC001279692952 1119827945 /nfs/dbraw/zinc/82/79/45/1119827945.db2.gz AOKJJMAEWMTKOP-HDICACEKSA-N 2 1 294.442 3.565 20 0 CHADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc4cccccc3-4)C[C@H]2CC1 ZINC001279692952 1119827946 /nfs/dbraw/zinc/82/79/46/1119827946.db2.gz AOKJJMAEWMTKOP-HDICACEKSA-N 2 1 294.442 3.565 20 0 CHADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc4cccccc3-4)C[C@H]2CC1 ZINC001279692952 1119827948 /nfs/dbraw/zinc/82/79/48/1119827948.db2.gz AOKJJMAEWMTKOP-HDICACEKSA-N 2 1 294.442 3.565 20 0 CHADMP CCC[C@H](C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1)c1ccccc1 ZINC000647498629 1119850048 /nfs/dbraw/zinc/85/00/48/1119850048.db2.gz LLTMKCQQJQROBK-JQHSSLGASA-N 2 1 274.452 3.630 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000414066039 1119878531 /nfs/dbraw/zinc/87/85/31/1119878531.db2.gz OZMPXNWEULHOIN-RKVPGOIHSA-N 2 1 274.452 3.661 20 0 CHADMP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c(C)c1 ZINC000414158041 1119920965 /nfs/dbraw/zinc/92/09/65/1119920965.db2.gz YUVSZFVDOUOEKT-HNNXBMFYSA-N 2 1 290.451 3.529 20 0 CHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CC(C)(C)Cc3occc32)C1 ZINC000414180304 1119929265 /nfs/dbraw/zinc/92/92/65/1119929265.db2.gz LUUSZGBEMCTBNK-GOEBONIOSA-N 2 1 290.451 3.615 20 0 CHADMP CC(C)[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000414185559 1119930580 /nfs/dbraw/zinc/93/05/80/1119930580.db2.gz PAIVEMGVLBPHOD-SJLPKXTDSA-N 2 1 274.452 3.705 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(C)s1 ZINC000414185484 1119930588 /nfs/dbraw/zinc/93/05/88/1119930588.db2.gz OQJRZEJNAUBTCM-HIFRSBDPSA-N 2 1 280.481 3.747 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000414186896 1119932305 /nfs/dbraw/zinc/93/23/05/1119932305.db2.gz PQJRBPJIWIWSPW-IRXDYDNUSA-N 2 1 274.452 3.686 20 0 CHADMP CSc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000414196663 1119934184 /nfs/dbraw/zinc/93/41/84/1119934184.db2.gz VSTYPZSQFGXFPV-HUUCEWRRSA-N 2 1 292.492 3.791 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCC2 ZINC000414199582 1119935103 /nfs/dbraw/zinc/93/51/03/1119935103.db2.gz XNLJNJRAOGHBCX-HOTGVXAUSA-N 2 1 286.463 3.558 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(C2CC2)c1 ZINC000414198140 1119935845 /nfs/dbraw/zinc/93/58/45/1119935845.db2.gz WCSNAERYAPFAHL-JKSUJKDBSA-N 2 1 286.463 3.947 20 0 CHADMP Cc1ccc(C)c([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000414203353 1119937725 /nfs/dbraw/zinc/93/77/25/1119937725.db2.gz ZXJGYYLGYUOLGO-DLBZAZTESA-N 2 1 274.452 3.686 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000613491853 1119940782 /nfs/dbraw/zinc/94/07/82/1119940782.db2.gz BCZSWIXVBRZXLP-UHFFFAOYSA-N 2 1 288.479 3.939 20 0 CHADMP CC(C)C[NH+](Cc1c[nH]c2cc[nH+]cc12)CC(C)C ZINC001140800094 1119949985 /nfs/dbraw/zinc/94/99/85/1119949985.db2.gz UNKHUMTWNWBNME-UHFFFAOYSA-N 2 1 259.397 3.677 20 0 CHADMP [NH3+]CCC[N@H+](Cc1nccc2ccccc21)CC1CCCC1 ZINC000647541389 1120002416 /nfs/dbraw/zinc/00/24/16/1120002416.db2.gz JXNHRPDAUIDFLW-UHFFFAOYSA-N 2 1 297.446 3.576 20 0 CHADMP Clc1ccsc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543549 1120004499 /nfs/dbraw/zinc/00/44/99/1120004499.db2.gz PESWSYCDRSRJNB-CHWSQXEVSA-N 2 1 298.883 3.613 20 0 CHADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647544548 1120005239 /nfs/dbraw/zinc/00/52/39/1120005239.db2.gz RPNZQCWIAJJQBD-YRPNKDGESA-N 2 1 298.474 3.502 20 0 CHADMP Cc1ccc([C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C2CCC2)cc1 ZINC000187188012 1120012868 /nfs/dbraw/zinc/01/28/68/1120012868.db2.gz NUYIGJOBGYWMMJ-VQIMIIECSA-N 2 1 286.463 3.768 20 0 CHADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1cc(Cl)cc(Cl)c1 ZINC000151957475 1120049887 /nfs/dbraw/zinc/04/98/87/1120049887.db2.gz RZRZLQKKPVRAQE-SNVBAGLBSA-N 2 1 275.223 3.596 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C(c2ccccc2)c2ccccc2)CCN1C ZINC000178032600 1120057186 /nfs/dbraw/zinc/05/71/86/1120057186.db2.gz LCWSMRZGHLPWLS-VQIMIIECSA-N 2 1 294.442 3.848 20 0 CHADMP CCC[C@@H](C)[NH+](C)C/C=C/C[N@H+](C)[C@@H](C)CCC ZINC000613639510 1120137347 /nfs/dbraw/zinc/13/73/47/1120137347.db2.gz IMKXDEMMJGTGHP-WTBPUQPLSA-N 2 1 254.462 3.783 20 0 CHADMP CCC[C@@H](C)[N@@H+](C)C/C=C/C[NH+](C)[C@@H](C)CCC ZINC000613639510 1120137349 /nfs/dbraw/zinc/13/73/49/1120137349.db2.gz IMKXDEMMJGTGHP-WTBPUQPLSA-N 2 1 254.462 3.783 20 0 CHADMP CCC[C@@H](C)[N@H+](C)C/C=C/C[NH+](C)[C@@H](C)CCC ZINC000613639510 1120137350 /nfs/dbraw/zinc/13/73/50/1120137350.db2.gz IMKXDEMMJGTGHP-WTBPUQPLSA-N 2 1 254.462 3.783 20 0 CHADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449133518 1128890366 /nfs/dbraw/zinc/89/03/66/1128890366.db2.gz YSJPKLYCCQTOQA-KLHKWILBSA-N 2 1 296.499 3.577 20 0 CHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C/C=C\Cl)CC1 ZINC000903443761 1120107605 /nfs/dbraw/zinc/10/76/05/1120107605.db2.gz KOIFKPAQNLKLOJ-XGICHPGQSA-N 2 1 292.854 3.772 20 0 CHADMP CC[C@H](C)C[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000540067758 1120112462 /nfs/dbraw/zinc/11/24/62/1120112462.db2.gz UGYUYFGZLYKNTJ-LNLFQRSKSA-N 2 1 288.479 3.923 20 0 CHADMP CCC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccsc1 ZINC000624123682 1120120396 /nfs/dbraw/zinc/12/03/96/1120120396.db2.gz QHQKMALCDAODSC-HOCLYGCPSA-N 2 1 280.481 3.911 20 0 CHADMP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000313835900 1120152143 /nfs/dbraw/zinc/15/21/43/1120152143.db2.gz PALVXNALIQEEGO-WDYCEAGBSA-N 2 1 286.463 3.643 20 0 CHADMP CC1(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000309819350 1120180944 /nfs/dbraw/zinc/18/09/44/1120180944.db2.gz YZVPXVQNAGSATK-IBGZPJMESA-N 2 1 286.463 3.678 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)C1CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000379038442 1120184391 /nfs/dbraw/zinc/18/43/91/1120184391.db2.gz JHTRJZFYHZQSIJ-FCEWJHQRSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CC2CCC1CC2 ZINC000394296672 1120217491 /nfs/dbraw/zinc/21/74/91/1120217491.db2.gz BDHPQHSFUXZMHX-QUIKPVFZSA-N 2 1 290.495 3.806 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CC2CCC1CC2 ZINC000394296672 1120217493 /nfs/dbraw/zinc/21/74/93/1120217493.db2.gz BDHPQHSFUXZMHX-QUIKPVFZSA-N 2 1 290.495 3.806 20 0 CHADMP CCC[N@H+](Cc1ccc(Cl)c(C)c1C)C[C@@H]1CC[NH2+]C1 ZINC001236842297 1128904958 /nfs/dbraw/zinc/90/49/58/1128904958.db2.gz DOOSYHGGWFARNY-OAHLLOKOSA-N 2 1 294.870 3.778 20 0 CHADMP C[N@@H+](CCC1CCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000659970698 1120315524 /nfs/dbraw/zinc/31/55/24/1120315524.db2.gz LDJMOVAFWDLASO-LJQANCHMSA-N 2 1 286.463 3.631 20 0 CHADMP C[NH+](CCC1CCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659970698 1120315527 /nfs/dbraw/zinc/31/55/27/1120315527.db2.gz LDJMOVAFWDLASO-LJQANCHMSA-N 2 1 286.463 3.631 20 0 CHADMP C[NH+](CCC1CCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659970698 1120315532 /nfs/dbraw/zinc/31/55/32/1120315532.db2.gz LDJMOVAFWDLASO-LJQANCHMSA-N 2 1 286.463 3.631 20 0 CHADMP CC[NH+]1CCC([N@H+](C)CC[C@@H]2CCc3ccccc32)CC1 ZINC000659983220 1120322919 /nfs/dbraw/zinc/32/29/19/1120322919.db2.gz HEMAQXHGFYIGLN-KRWDZBQOSA-N 2 1 286.463 3.523 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)CC[C@@H]2CCc3ccccc32)CC1 ZINC000659983220 1120322924 /nfs/dbraw/zinc/32/29/24/1120322924.db2.gz HEMAQXHGFYIGLN-KRWDZBQOSA-N 2 1 286.463 3.523 20 0 CHADMP CC[NH+]1CCC([N@H+](C)Cc2cccc(C(C)C)c2)CC1 ZINC000659983860 1120323326 /nfs/dbraw/zinc/32/33/26/1120323326.db2.gz XBDRHNXLDXSIMW-UHFFFAOYSA-N 2 1 274.452 3.726 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc(C(C)C)c2)CC1 ZINC000659983860 1120323330 /nfs/dbraw/zinc/32/33/30/1120323330.db2.gz XBDRHNXLDXSIMW-UHFFFAOYSA-N 2 1 274.452 3.726 20 0 CHADMP C[C@H]1C[C@H]([N@@H+](C)CC2CC=CC2)CCN1Cc1ccccc1 ZINC000659993691 1120331053 /nfs/dbraw/zinc/33/10/53/1120331053.db2.gz QWSOHXRTHKHTRT-FXAWDEMLSA-N 2 1 298.474 3.938 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)CC2CC=CC2)CC[N@@H+]1Cc1ccccc1 ZINC000659993691 1120331056 /nfs/dbraw/zinc/33/10/56/1120331056.db2.gz QWSOHXRTHKHTRT-FXAWDEMLSA-N 2 1 298.474 3.938 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)CC2CC=CC2)CC[N@H+]1Cc1ccccc1 ZINC000659993691 1120331061 /nfs/dbraw/zinc/33/10/61/1120331061.db2.gz QWSOHXRTHKHTRT-FXAWDEMLSA-N 2 1 298.474 3.938 20 0 CHADMP C[C@H]1C[C@H]([N@H+](C)CC2CC=CC2)CC[NH+]1Cc1ccccc1 ZINC000659993691 1120331066 /nfs/dbraw/zinc/33/10/66/1120331066.db2.gz QWSOHXRTHKHTRT-FXAWDEMLSA-N 2 1 298.474 3.938 20 0 CHADMP C[C@H]1C[C@H]([N@@H+](C)CC2CC=CC2)CC[NH+]1Cc1ccccc1 ZINC000659993691 1120331072 /nfs/dbraw/zinc/33/10/72/1120331072.db2.gz QWSOHXRTHKHTRT-FXAWDEMLSA-N 2 1 298.474 3.938 20 0 CHADMP Cc1cccc([C@H]2CCC[N@@H+]2CCC2CC[NH+](C)CC2)c1 ZINC001207479636 1120375793 /nfs/dbraw/zinc/37/57/93/1120375793.db2.gz LFLWKCRUZJVBBJ-LJQANCHMSA-N 2 1 286.463 3.864 20 0 CHADMP Cc1ccc([C@@H](C)C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000628296179 1120397129 /nfs/dbraw/zinc/39/71/29/1120397129.db2.gz YVQGDIZMHVXSLD-HKUYNNGSSA-N 2 1 286.463 3.516 20 0 CHADMP Cc1ccc([C@@H](C)C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000628296179 1120397136 /nfs/dbraw/zinc/39/71/36/1120397136.db2.gz YVQGDIZMHVXSLD-HKUYNNGSSA-N 2 1 286.463 3.516 20 0 CHADMP Cc1ccc([C@@H](C)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000628296179 1120397143 /nfs/dbraw/zinc/39/71/43/1120397143.db2.gz YVQGDIZMHVXSLD-HKUYNNGSSA-N 2 1 286.463 3.516 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000543064375 1120397534 /nfs/dbraw/zinc/39/75/34/1120397534.db2.gz VNBXRDNULYEPAC-SJORKVTESA-N 2 1 292.854 3.865 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C2CC2)cc1 ZINC000417355304 1120434871 /nfs/dbraw/zinc/43/48/71/1120434871.db2.gz NJCHHVWKZAEOKE-ZOCIIQOWSA-N 2 1 284.447 3.841 20 0 CHADMP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000651454315 1120492028 /nfs/dbraw/zinc/49/20/28/1120492028.db2.gz KCKWIAOTTMYASG-JJQWWUTCSA-N 2 1 284.447 3.525 20 0 CHADMP CC[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000500116483 1120514378 /nfs/dbraw/zinc/51/43/78/1120514378.db2.gz ORWXREKYGJCYAC-WDSOQIARSA-N 2 1 286.463 3.771 20 0 CHADMP CC(C)[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](C)c1ccccc1 ZINC000428875516 1120547718 /nfs/dbraw/zinc/54/77/18/1120547718.db2.gz UYWKTMGXIFFCBJ-WMZOPIPTSA-N 2 1 274.452 3.942 20 0 CHADMP CC(C)[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H](C)c1ccccc1 ZINC000428875516 1120547719 /nfs/dbraw/zinc/54/77/19/1120547719.db2.gz UYWKTMGXIFFCBJ-WMZOPIPTSA-N 2 1 274.452 3.942 20 0 CHADMP CC(C)[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H](C)c1ccccc1 ZINC000428875516 1120547722 /nfs/dbraw/zinc/54/77/22/1120547722.db2.gz UYWKTMGXIFFCBJ-WMZOPIPTSA-N 2 1 274.452 3.942 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000226331371 1120552023 /nfs/dbraw/zinc/55/20/23/1120552023.db2.gz OSHYQKXHZFCEJG-HNNXBMFYSA-N 2 1 254.462 3.665 20 0 CHADMP CC[C@H](C[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+])CC(F)(F)F ZINC000925697424 1120622383 /nfs/dbraw/zinc/62/23/83/1120622383.db2.gz NLOWJSCFNRWVCD-DYEKYZERSA-N 2 1 288.357 3.643 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c3ccccc23)CC[N@H+]1C ZINC000631079576 1120632659 /nfs/dbraw/zinc/63/26/59/1120632659.db2.gz IJFZTIUDRHUQQT-ZFWWWQNUSA-N 2 1 286.394 3.551 20 0 CHADMP C[NH+](C)C1(C)CC[NH+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000931355937 1120636709 /nfs/dbraw/zinc/63/67/09/1120636709.db2.gz YBMMZPRJLYYBED-QGZVFWFLSA-N 2 1 290.426 3.619 20 0 CHADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660659292 1120674617 /nfs/dbraw/zinc/67/46/17/1120674617.db2.gz NZFUGXPTWZAGRN-MSOLQXFVSA-N 2 1 272.436 3.555 20 0 CHADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC/C=C/c1ccccc1)C2 ZINC000660664090 1120675593 /nfs/dbraw/zinc/67/55/93/1120675593.db2.gz PUBIFENOGSXJAJ-GSXXRBPTSA-N 2 1 284.447 3.508 20 0 CHADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC/C=C/c1ccccc1)C2 ZINC000660664090 1120675596 /nfs/dbraw/zinc/67/55/96/1120675596.db2.gz PUBIFENOGSXJAJ-GSXXRBPTSA-N 2 1 284.447 3.508 20 0 CHADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC/C=C/c1ccccc1)C2 ZINC000660664090 1120675601 /nfs/dbraw/zinc/67/56/01/1120675601.db2.gz PUBIFENOGSXJAJ-GSXXRBPTSA-N 2 1 284.447 3.508 20 0 CHADMP C1CCC2(C1)CCC([N@H+]1CCC[C@@]3(CCC[NH2+]C3)C1)CC2 ZINC000228078609 1120689075 /nfs/dbraw/zinc/68/90/75/1120689075.db2.gz AUSMHIDWCUQEDQ-LJQANCHMSA-N 2 1 290.495 3.955 20 0 CHADMP c1cc2c(c(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)c1)CCC2 ZINC000651643805 1120690410 /nfs/dbraw/zinc/69/04/10/1120690410.db2.gz RASFKQMXKVXAEZ-IBGZPJMESA-N 2 1 298.474 3.626 20 0 CHADMP CC[C@]1(C)CCC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000651725171 1120728257 /nfs/dbraw/zinc/72/82/57/1120728257.db2.gz VIVJGJRHKABUHI-LDBYLJPUSA-N 2 1 264.457 3.560 20 0 CHADMP CC[C@]1(C)CCC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000651725171 1120728261 /nfs/dbraw/zinc/72/82/61/1120728261.db2.gz VIVJGJRHKABUHI-LDBYLJPUSA-N 2 1 264.457 3.560 20 0 CHADMP C[C@@H]1C[C@H]([N@@H+](C)CCC2CC[NH2+]CC2)CC(C)(C)C1 ZINC000709626281 1120850690 /nfs/dbraw/zinc/85/06/90/1120850690.db2.gz AEVUQAULKUFHOD-ZBFHGGJFSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@H]1C[C@H]([N@@H+](C)CCC2CC[NH2+]CC2)CC(C)(C)C1 ZINC000709626280 1120851035 /nfs/dbraw/zinc/85/10/35/1120851035.db2.gz AEVUQAULKUFHOD-HOCLYGCPSA-N 2 1 266.473 3.523 20 0 CHADMP CC1=C[C@@H](C)C[NH+]([C@@H](C)CC[N@@H+]2CC(C)=C[C@H](C)C2)C1 ZINC000430264916 1120853360 /nfs/dbraw/zinc/85/33/60/1120853360.db2.gz CDQPZDHTPDYCRJ-LESCRADOSA-N 2 1 276.468 3.561 20 0 CHADMP CC1=C[C@@H](C)C[N@@H+]([C@@H](C)CC[NH+]2CC(C)=C[C@H](C)C2)C1 ZINC000430264916 1120853361 /nfs/dbraw/zinc/85/33/61/1120853361.db2.gz CDQPZDHTPDYCRJ-LESCRADOSA-N 2 1 276.468 3.561 20 0 CHADMP CC1=C[C@@H](C)C[N@H+]([C@@H](C)CC[NH+]2CC(C)=C[C@H](C)C2)C1 ZINC000430264916 1120853362 /nfs/dbraw/zinc/85/33/62/1120853362.db2.gz CDQPZDHTPDYCRJ-LESCRADOSA-N 2 1 276.468 3.561 20 0 CHADMP CC(C)[N@@H+](CCCC1CC[NH2+]CC1)Cc1cccs1 ZINC000050953455 1120881910 /nfs/dbraw/zinc/88/19/10/1120881910.db2.gz CGDQHFSKOUQCSH-UHFFFAOYSA-N 2 1 280.481 3.738 20 0 CHADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc3ccccc3o2)C1 ZINC000250475253 1120881456 /nfs/dbraw/zinc/88/14/56/1120881456.db2.gz AGEPFPIOKMZGBO-HUUCEWRRSA-N 2 1 286.419 3.814 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc3ccccc3o2)C1 ZINC000250475253 1120881460 /nfs/dbraw/zinc/88/14/60/1120881460.db2.gz AGEPFPIOKMZGBO-HUUCEWRRSA-N 2 1 286.419 3.814 20 0 CHADMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1ccc(Cl)cc1 ZINC000050953079 1120881786 /nfs/dbraw/zinc/88/17/86/1120881786.db2.gz ZIGNCHMQFSUQKZ-UHFFFAOYSA-N 2 1 280.843 3.552 20 0 CHADMP CCC1([NH3+])CC[NH+]([C@@H](C)c2sc(C(C)C)nc2C)CC1 ZINC000925757945 1120903236 /nfs/dbraw/zinc/90/32/36/1120903236.db2.gz XICHBESQDBHNNO-ZDUSSCGKSA-N 2 1 295.496 3.839 20 0 CHADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000662248993 1120910411 /nfs/dbraw/zinc/91/04/11/1120910411.db2.gz MYIVJTJRSLIJAL-AWEZNQCLSA-N 2 1 298.405 3.664 20 0 CHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000662245805 1120910595 /nfs/dbraw/zinc/91/05/95/1120910595.db2.gz OZDIRMUXZNMJSC-ISARSNTHSA-N 2 1 286.463 3.630 20 0 CHADMP C[C@H]1CC2(C[N@H+]1CC[C@@H]1CCc3ccccc31)CC[NH2+]CC2 ZINC000662283164 1120919234 /nfs/dbraw/zinc/91/92/34/1120919234.db2.gz LZSKMCZIVOTJEU-WMZOPIPTSA-N 2 1 298.474 3.571 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000162085908 1120936156 /nfs/dbraw/zinc/93/61/56/1120936156.db2.gz JPRSTHSCXRSUOS-MAUKXSAKSA-N 2 1 283.419 3.665 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000162085908 1120936161 /nfs/dbraw/zinc/93/61/61/1120936161.db2.gz JPRSTHSCXRSUOS-MAUKXSAKSA-N 2 1 283.419 3.665 20 0 CHADMP Cc1cccc(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345887 1120941861 /nfs/dbraw/zinc/94/18/61/1120941861.db2.gz NTLJWUSWUULTAX-SFHVURJKSA-N 2 1 286.463 3.515 20 0 CHADMP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cccc(O)c1 ZINC000020827460 1120951329 /nfs/dbraw/zinc/95/13/29/1120951329.db2.gz HJGBOIUWQGMNPL-INIZCTEOSA-N 2 1 298.430 3.565 20 0 CHADMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cccc(O)c1 ZINC000020827460 1120951331 /nfs/dbraw/zinc/95/13/31/1120951331.db2.gz HJGBOIUWQGMNPL-INIZCTEOSA-N 2 1 298.430 3.565 20 0 CHADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(Cl)c3Cl)C[C@H]21 ZINC000228538231 1120965444 /nfs/dbraw/zinc/96/54/44/1120965444.db2.gz LZZGIGLVRVUTOS-ZKYQVNSYSA-N 2 1 299.245 3.553 20 0 CHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(Cl)c3Cl)C[C@H]21 ZINC000228538231 1120965447 /nfs/dbraw/zinc/96/54/47/1120965447.db2.gz LZZGIGLVRVUTOS-ZKYQVNSYSA-N 2 1 299.245 3.553 20 0 CHADMP CCCC[C@@H](CC)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467502 1120981540 /nfs/dbraw/zinc/98/15/40/1120981540.db2.gz GJJUJNFHQLQIPO-IAGOWNOFSA-N 2 1 266.473 3.667 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)o1 ZINC000663467562 1120984109 /nfs/dbraw/zinc/98/41/09/1120984109.db2.gz GSFWJCJJPCWDHZ-GOEBONIOSA-N 2 1 290.451 3.615 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)o1 ZINC000663467562 1120984112 /nfs/dbraw/zinc/98/41/12/1120984112.db2.gz GSFWJCJJPCWDHZ-GOEBONIOSA-N 2 1 290.451 3.615 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C1CCC1)C1CCOCC1 ZINC001167836413 1121039051 /nfs/dbraw/zinc/03/90/51/1121039051.db2.gz ZPYUHDSOHWWOJC-INIZCTEOSA-N 2 1 296.499 3.530 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H]1C(C)C ZINC001167839746 1121044099 /nfs/dbraw/zinc/04/40/99/1121044099.db2.gz BMRRCLITXVKIMD-JKSUJKDBSA-N 2 1 254.462 3.617 20 0 CHADMP CC[C@@H]1CC[C@H](C)[NH+]1CCC[N@@H+]1[C@H](C)CC[C@@H]1CC ZINC000557218122 1121046436 /nfs/dbraw/zinc/04/64/36/1121046436.db2.gz GCYIWJDWAQIGNB-ZYGGUILKSA-N 2 1 266.473 3.902 20 0 CHADMP CC[C@@H]1CC[C@H](C)[N@H+]1CCC[NH+]1[C@H](C)CC[C@@H]1CC ZINC000557218122 1121046445 /nfs/dbraw/zinc/04/64/45/1121046445.db2.gz GCYIWJDWAQIGNB-ZYGGUILKSA-N 2 1 266.473 3.902 20 0 CHADMP CC[C@@H]1CC[C@H](C)[N@@H+]1CCC[NH+]1[C@H](C)CC[C@@H]1CC ZINC000557218122 1121046454 /nfs/dbraw/zinc/04/64/54/1121046454.db2.gz GCYIWJDWAQIGNB-ZYGGUILKSA-N 2 1 266.473 3.902 20 0 CHADMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c1 ZINC001237058604 1128958571 /nfs/dbraw/zinc/95/85/71/1128958571.db2.gz QPZPSQXCIKTHPG-SFHVURJKSA-N 2 1 274.452 3.545 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2cc(F)ccc2C1 ZINC001167840401 1121049990 /nfs/dbraw/zinc/04/99/90/1121049990.db2.gz GCRSIAPEDSANLF-OAHLLOKOSA-N 2 1 292.442 3.694 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000344169648 1121111971 /nfs/dbraw/zinc/11/19/71/1121111971.db2.gz LYXZJGGSSQYHJT-SFHVURJKSA-N 2 1 283.419 3.713 20 0 CHADMP Cc1cc(C)c(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000093643621 1128965936 /nfs/dbraw/zinc/96/59/36/1128965936.db2.gz NKUYYGHEQJMJIO-AEFFLSMTSA-N 2 1 274.452 3.526 20 0 CHADMP Cc1cc(C)c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000093643621 1128965939 /nfs/dbraw/zinc/96/59/39/1128965939.db2.gz NKUYYGHEQJMJIO-AEFFLSMTSA-N 2 1 274.452 3.526 20 0 CHADMP Cc1cc(C)c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1C ZINC000093643621 1128965942 /nfs/dbraw/zinc/96/59/42/1128965942.db2.gz NKUYYGHEQJMJIO-AEFFLSMTSA-N 2 1 274.452 3.526 20 0 CHADMP Cc1cc(C)c(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1C ZINC000093643621 1128965944 /nfs/dbraw/zinc/96/59/44/1128965944.db2.gz NKUYYGHEQJMJIO-AEFFLSMTSA-N 2 1 274.452 3.526 20 0 CHADMP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000925825653 1121150397 /nfs/dbraw/zinc/15/03/97/1121150397.db2.gz BDCOHGBICKZFPF-OCBCSQNSSA-N 2 1 284.378 3.930 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000162830415 1121159991 /nfs/dbraw/zinc/15/99/91/1121159991.db2.gz NEMUTHSRFLFAOV-INIZCTEOSA-N 2 1 289.448 3.870 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1c1ccsc1 ZINC000162830415 1121159995 /nfs/dbraw/zinc/15/99/95/1121159995.db2.gz NEMUTHSRFLFAOV-INIZCTEOSA-N 2 1 289.448 3.870 20 0 CHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@@H]1CCCc2ccccc21 ZINC000674771517 1121179302 /nfs/dbraw/zinc/17/93/02/1121179302.db2.gz OBVJDOMEUXUQBK-PKOBYXMFSA-N 2 1 286.463 3.870 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCCc2ccccc21 ZINC000674771517 1121179304 /nfs/dbraw/zinc/17/93/04/1121179304.db2.gz OBVJDOMEUXUQBK-PKOBYXMFSA-N 2 1 286.463 3.870 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CCCc2ccccc21 ZINC000674771517 1121179306 /nfs/dbraw/zinc/17/93/06/1121179306.db2.gz OBVJDOMEUXUQBK-PKOBYXMFSA-N 2 1 286.463 3.870 20 0 CHADMP Cc1ccccc1[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000163071897 1128970427 /nfs/dbraw/zinc/97/04/27/1128970427.db2.gz QPCRFPKABBKJSW-JFIYKMOQSA-N 2 1 274.452 3.764 20 0 CHADMP Cc1ccccc1[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000163071897 1128970429 /nfs/dbraw/zinc/97/04/29/1128970429.db2.gz QPCRFPKABBKJSW-JFIYKMOQSA-N 2 1 274.452 3.764 20 0 CHADMP C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658228328 1121234211 /nfs/dbraw/zinc/23/42/11/1121234211.db2.gz HTUPMRUPTKQLRR-GOEBONIOSA-N 2 1 292.492 3.676 20 0 CHADMP C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658228328 1121234217 /nfs/dbraw/zinc/23/42/17/1121234217.db2.gz HTUPMRUPTKQLRR-GOEBONIOSA-N 2 1 292.492 3.676 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2CCC(c3ccccc3)CC2)CC[N@@H+]1C ZINC000122890806 1121245528 /nfs/dbraw/zinc/24/55/28/1121245528.db2.gz RXMMEDPWJXGRBT-RXQRSOPUSA-N 2 1 286.463 3.785 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2CCC(c3ccccc3)CC2)CC[N@H+]1C ZINC000122890806 1121245532 /nfs/dbraw/zinc/24/55/32/1121245532.db2.gz RXMMEDPWJXGRBT-RXQRSOPUSA-N 2 1 286.463 3.785 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CCN(C/C=C/c2ccc(F)cc2)C1 ZINC000093742302 1128972877 /nfs/dbraw/zinc/97/28/77/1128972877.db2.gz SDAZFFDPOCSBAA-LAQIPUCWSA-N 2 1 290.426 3.503 20 0 CHADMP CCC[N@H+](C)C[C@H]1CC[NH+](C/C=C/c2ccc(F)cc2)C1 ZINC000093742302 1128972880 /nfs/dbraw/zinc/97/28/80/1128972880.db2.gz SDAZFFDPOCSBAA-LAQIPUCWSA-N 2 1 290.426 3.503 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C/C=C/c2ccc(F)cc2)C1 ZINC000093742302 1128972882 /nfs/dbraw/zinc/97/28/82/1128972882.db2.gz SDAZFFDPOCSBAA-LAQIPUCWSA-N 2 1 290.426 3.503 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000093742302 1128972884 /nfs/dbraw/zinc/97/28/84/1128972884.db2.gz SDAZFFDPOCSBAA-LAQIPUCWSA-N 2 1 290.426 3.503 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000093742302 1128972886 /nfs/dbraw/zinc/97/28/86/1128972886.db2.gz SDAZFFDPOCSBAA-LAQIPUCWSA-N 2 1 290.426 3.503 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCC(C(C)C)CC1 ZINC000174350681 1121282311 /nfs/dbraw/zinc/28/23/11/1121282311.db2.gz ANTMJQCMQWSJAH-ODIFPOPNSA-N 2 1 277.456 3.632 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246246455 1121287815 /nfs/dbraw/zinc/28/78/15/1121287815.db2.gz VNGGTJUTJFIQBP-CABCVRRESA-N 2 1 292.854 3.819 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246246455 1121287818 /nfs/dbraw/zinc/28/78/18/1121287818.db2.gz VNGGTJUTJFIQBP-CABCVRRESA-N 2 1 292.854 3.819 20 0 CHADMP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000512391724 1121305230 /nfs/dbraw/zinc/30/52/30/1121305230.db2.gz PDBZINVTOMNSCR-SJLPKXTDSA-N 2 1 286.463 3.738 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCNCc1cc(Cl)cs1 ZINC000093093142 1121315227 /nfs/dbraw/zinc/31/52/27/1121315227.db2.gz LSPINCCQMHZBLM-LBPRGKRZSA-N 2 1 286.872 3.756 20 0 CHADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc(Cl)cs1 ZINC000093093142 1121315236 /nfs/dbraw/zinc/31/52/36/1121315236.db2.gz LSPINCCQMHZBLM-LBPRGKRZSA-N 2 1 286.872 3.756 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc(Cl)cs1 ZINC000093093142 1121315244 /nfs/dbraw/zinc/31/52/44/1121315244.db2.gz LSPINCCQMHZBLM-LBPRGKRZSA-N 2 1 286.872 3.756 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2ccc(C)cc2C)[C@@H](C)C1 ZINC000675733047 1121346971 /nfs/dbraw/zinc/34/69/71/1121346971.db2.gz XFORVNNBVIFLNS-PKOBYXMFSA-N 2 1 288.479 3.556 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CCCc2ccc(C)cc2C)[C@H](C)C1 ZINC000675733046 1121347006 /nfs/dbraw/zinc/34/70/06/1121347006.db2.gz XFORVNNBVIFLNS-MJGOQNOKSA-N 2 1 288.479 3.556 20 0 CHADMP Fc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc12 ZINC000631044809 1128980677 /nfs/dbraw/zinc/98/06/77/1128980677.db2.gz NWYHUDADMRRZRD-JKSUJKDBSA-N 2 1 298.405 3.695 20 0 CHADMP CC(C)[NH+]1CCC([N@H+](C)C/C=C\c2cccc(F)c2)CC1 ZINC000893918789 1121439446 /nfs/dbraw/zinc/43/94/46/1121439446.db2.gz GFWOBDHCJMJMPS-ALCCZGGFSA-N 2 1 290.426 3.644 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)C/C=C\c2cccc(F)c2)CC1 ZINC000893918789 1121439453 /nfs/dbraw/zinc/43/94/53/1121439453.db2.gz GFWOBDHCJMJMPS-ALCCZGGFSA-N 2 1 290.426 3.644 20 0 CHADMP Cc1cccc(C)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000676712972 1121458209 /nfs/dbraw/zinc/45/82/09/1121458209.db2.gz VOFGPENHWNSPPE-YLJYHZDGSA-N 2 1 298.474 3.752 20 0 CHADMP Cc1cccc(C)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000676712972 1121458213 /nfs/dbraw/zinc/45/82/13/1121458213.db2.gz VOFGPENHWNSPPE-YLJYHZDGSA-N 2 1 298.474 3.752 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000316865196 1121480174 /nfs/dbraw/zinc/48/01/74/1121480174.db2.gz UFUOMJLIAQIWIT-QAPCUYQASA-N 2 1 298.430 3.705 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2CCCc3c(Cl)cccc32)CC1 ZINC000543600411 1121509629 /nfs/dbraw/zinc/50/96/29/1121509629.db2.gz FPHZZIPTUZSXRM-QGZVFWFLSA-N 2 1 292.854 3.791 20 0 CHADMP CCc1ccc(C)[nH+]c1Nc1ccc(C[NH+](C)C)cc1 ZINC001176287019 1121589500 /nfs/dbraw/zinc/58/95/00/1121589500.db2.gz NZDAXDVRYWLVHV-UHFFFAOYSA-N 2 1 269.392 3.758 20 0 CHADMP CCC(CC)(CC)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000671753514 1121598797 /nfs/dbraw/zinc/59/87/97/1121598797.db2.gz SRBNTNBPQUBTQS-OAGGEKHMSA-N 2 1 266.473 3.665 20 0 CHADMP CCCCCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250796922 1121625545 /nfs/dbraw/zinc/62/55/45/1121625545.db2.gz BEJAXUIURSNJSB-JYJNAYRXSA-N 2 1 252.446 3.562 20 0 CHADMP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000161592537 1121645069 /nfs/dbraw/zinc/64/50/69/1121645069.db2.gz WFYGTZNHDWZQSY-YESZJQIVSA-N 2 1 272.436 3.581 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419336644 1121665189 /nfs/dbraw/zinc/66/51/89/1121665189.db2.gz PVWOYBSSTJJBOL-CVEARBPZSA-N 2 1 277.456 3.728 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419336644 1121665193 /nfs/dbraw/zinc/66/51/93/1121665193.db2.gz PVWOYBSSTJJBOL-CVEARBPZSA-N 2 1 277.456 3.728 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167925051 1121698090 /nfs/dbraw/zinc/69/80/90/1121698090.db2.gz XKXZWRGRYOTVJN-LFZDHENXSA-N 2 1 298.474 3.533 20 0 CHADMP CC(C)[NH+](CC[NH2+]CC1C2CC3CC(C2)CC1C3)C(C)C ZINC001177065658 1121709592 /nfs/dbraw/zinc/70/95/92/1121709592.db2.gz CQOKUUVFVRMOOB-UHFFFAOYSA-N 2 1 292.511 3.767 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc3ccccc32)CC1 ZINC001206292435 1121709819 /nfs/dbraw/zinc/70/98/19/1121709819.db2.gz AMOULMVTSTWFQG-IBGZPJMESA-N 2 1 282.431 3.791 20 0 CHADMP Cc1ccc([C@H](C)CC[N@H+]2CCC[C@@](C)(C[NH3+])CC2)o1 ZINC001206294268 1121713706 /nfs/dbraw/zinc/71/37/06/1121713706.db2.gz JYMXFFNQIAMBBI-RHSMWYFYSA-N 2 1 278.440 3.533 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206295153 1121716479 /nfs/dbraw/zinc/71/64/79/1121716479.db2.gz LTFNXPLPASHJRX-CHYADLBTSA-N 2 1 266.473 3.964 20 0 CHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccoc1 ZINC000727466198 1121719965 /nfs/dbraw/zinc/71/99/65/1121719965.db2.gz ZAZJZKVNGDVKJL-INIZCTEOSA-N 2 1 298.430 3.944 20 0 CHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccoc1 ZINC000727466198 1121719970 /nfs/dbraw/zinc/71/99/70/1121719970.db2.gz ZAZJZKVNGDVKJL-INIZCTEOSA-N 2 1 298.430 3.944 20 0 CHADMP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)C1CCCCC1 ZINC000070737504 1121732706 /nfs/dbraw/zinc/73/27/06/1121732706.db2.gz MMPGALMEAYRJGE-UHFFFAOYSA-N 2 1 269.392 3.637 20 0 CHADMP Cc1ccccc1[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000166584774 1121748303 /nfs/dbraw/zinc/74/83/03/1121748303.db2.gz UBCVYNHCWBTWGB-YQVWRLOYSA-N 2 1 286.463 3.909 20 0 CHADMP Cc1cc(C)c(/C=C/C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(C)c1 ZINC001177795142 1121750661 /nfs/dbraw/zinc/75/06/61/1121750661.db2.gz OJEMHLGXXCDQPU-MOTZXUDYSA-N 2 1 286.463 3.556 20 0 CHADMP CCc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)s1 ZINC001178248816 1121772925 /nfs/dbraw/zinc/77/29/25/1121772925.db2.gz FLZLCMPCRSXMFP-OAHLLOKOSA-N 2 1 294.508 3.768 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206324799 1121776606 /nfs/dbraw/zinc/77/66/06/1121776606.db2.gz DJYWJMZBKHEEHJ-KRWDZBQOSA-N 2 1 294.870 3.908 20 0 CHADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246577221 1121804564 /nfs/dbraw/zinc/80/45/64/1121804564.db2.gz LTOQXZKORFVCSK-AYBZRNKSSA-N 2 1 284.447 3.696 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](CC)c1ccccc1 ZINC001178661570 1121804565 /nfs/dbraw/zinc/80/45/65/1121804565.db2.gz RNBNNWYUJYUEBE-WMZOPIPTSA-N 2 1 274.452 3.644 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](CC)c1ccccc1 ZINC001178661570 1121804576 /nfs/dbraw/zinc/80/45/76/1121804576.db2.gz RNBNNWYUJYUEBE-WMZOPIPTSA-N 2 1 274.452 3.644 20 0 CHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246577221 1121804577 /nfs/dbraw/zinc/80/45/77/1121804577.db2.gz LTOQXZKORFVCSK-AYBZRNKSSA-N 2 1 284.447 3.696 20 0 CHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246577221 1121804592 /nfs/dbraw/zinc/80/45/92/1121804592.db2.gz LTOQXZKORFVCSK-AYBZRNKSSA-N 2 1 284.447 3.696 20 0 CHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246577221 1121804602 /nfs/dbraw/zinc/80/46/02/1121804602.db2.gz LTOQXZKORFVCSK-AYBZRNKSSA-N 2 1 284.447 3.696 20 0 CHADMP C/C(=C/c1ccccc1)C[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC001178972006 1121834555 /nfs/dbraw/zinc/83/45/55/1121834555.db2.gz NTCTXTVBQFXQMG-SSZFMOIBSA-N 2 1 272.436 3.554 20 0 CHADMP CC(C)C[N@H+](C)CCC[NH2+]C/C=C/c1ccc(F)cc1F ZINC001179081846 1121846987 /nfs/dbraw/zinc/84/69/87/1121846987.db2.gz PGTGEQWZGTVVIQ-GQCTYLIASA-N 2 1 296.405 3.546 20 0 CHADMP CC(C)C[N@@H+](C)CCC[NH2+]C/C=C/c1ccc(F)cc1F ZINC001179081846 1121846995 /nfs/dbraw/zinc/84/69/95/1121846995.db2.gz PGTGEQWZGTVVIQ-GQCTYLIASA-N 2 1 296.405 3.546 20 0 CHADMP CC(C)Cc1ccc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206363573 1121848335 /nfs/dbraw/zinc/84/83/35/1121848335.db2.gz YBKYQYZRWGAIGI-GOSISDBHSA-N 2 1 292.442 3.538 20 0 CHADMP CC(C)Cc1ccc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206363573 1121848348 /nfs/dbraw/zinc/84/83/48/1121848348.db2.gz YBKYQYZRWGAIGI-GOSISDBHSA-N 2 1 292.442 3.538 20 0 CHADMP CC[N@@H+](Cc1cccc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000345187195 1121856683 /nfs/dbraw/zinc/85/66/83/1121856683.db2.gz IBDBLCJPXAFWLB-GOSISDBHSA-N 2 1 282.431 3.804 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccc(C)c(C)c2)[C@H](C)C1 ZINC001204247756 1121884824 /nfs/dbraw/zinc/88/48/24/1121884824.db2.gz BGGIDJURVQLPRJ-MJGOQNOKSA-N 2 1 288.479 3.508 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccc(C)c(C)c2)[C@H](C)C1 ZINC001204247756 1121884832 /nfs/dbraw/zinc/88/48/32/1121884832.db2.gz BGGIDJURVQLPRJ-MJGOQNOKSA-N 2 1 288.479 3.508 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccc(C)c(C)c2)[C@H](C)C1 ZINC001204247756 1121884840 /nfs/dbraw/zinc/88/48/40/1121884840.db2.gz BGGIDJURVQLPRJ-MJGOQNOKSA-N 2 1 288.479 3.508 20 0 CHADMP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)C1 ZINC001179816787 1121912113 /nfs/dbraw/zinc/91/21/13/1121912113.db2.gz NTFCEMJDPIULLY-IGKNDFSCSA-N 2 1 278.484 3.521 20 0 CHADMP C[C@]1(F)CCCC[N@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001206402596 1121914424 /nfs/dbraw/zinc/91/44/24/1121914424.db2.gz DTSQIPKGCBSKQZ-INIZCTEOSA-N 2 1 270.436 3.513 20 0 CHADMP C[C@]1(F)CCCC[N@@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001206402596 1121914430 /nfs/dbraw/zinc/91/44/30/1121914430.db2.gz DTSQIPKGCBSKQZ-INIZCTEOSA-N 2 1 270.436 3.513 20 0 CHADMP C[N@H+](Cc1ccccc1Oc1ccccc1)C1CC[NH2+]CC1 ZINC000420265642 1121993009 /nfs/dbraw/zinc/99/30/09/1121993009.db2.gz BMHAAXGWRDAJFS-UHFFFAOYSA-N 2 1 296.414 3.663 20 0 CHADMP C[N@@H+](Cc1ccccc1Oc1ccccc1)C1CC[NH2+]CC1 ZINC000420265642 1121993015 /nfs/dbraw/zinc/99/30/15/1121993015.db2.gz BMHAAXGWRDAJFS-UHFFFAOYSA-N 2 1 296.414 3.663 20 0 CHADMP CC[NH+]1CCC([N@H+](C)[C@H](C)c2nccc3ccccc32)CC1 ZINC001180531029 1121994294 /nfs/dbraw/zinc/99/42/94/1121994294.db2.gz BLQHHHFQGNGNOV-OAHLLOKOSA-N 2 1 297.446 3.712 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)[C@H](C)c2nccc3ccccc32)CC1 ZINC001180531029 1121994299 /nfs/dbraw/zinc/99/42/99/1121994299.db2.gz BLQHHHFQGNGNOV-OAHLLOKOSA-N 2 1 297.446 3.712 20 0 CHADMP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420296309 1121995109 /nfs/dbraw/zinc/99/51/09/1121995109.db2.gz BJMHTFZCEWXWEC-GJZGRUSLSA-N 2 1 286.419 3.815 20 0 CHADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H](C)c1ccc(F)cc1 ZINC000420301689 1121998033 /nfs/dbraw/zinc/99/80/33/1121998033.db2.gz ITHNEMZXLAJHSK-HUUCEWRRSA-N 2 1 278.415 3.598 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420321534 1122000039 /nfs/dbraw/zinc/00/00/39/1122000039.db2.gz CPNDTAFRLHZNQK-KFWWJZLASA-N 2 1 292.854 3.723 20 0 CHADMP Cc1ccc(C[N@H+](CC[C@H]2CCC[NH2+]C2)C(C)C)s1 ZINC000420315952 1122000141 /nfs/dbraw/zinc/00/01/41/1122000141.db2.gz MABBPEHQTKWCEC-OAHLLOKOSA-N 2 1 280.481 3.657 20 0 CHADMP FC(F)c1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420391427 1122004314 /nfs/dbraw/zinc/00/43/14/1122004314.db2.gz IHBGRACPHDSQQM-HZPDHXFCSA-N 2 1 294.389 3.588 20 0 CHADMP C[C@H]([NH3+])C[NH2+][C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000420422764 1122006082 /nfs/dbraw/zinc/00/60/82/1122006082.db2.gz ZNVXOJFWPPEIIX-XHDPSFHLSA-N 2 1 266.816 3.508 20 0 CHADMP C[C@H]([NH3+])C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000420422387 1122006694 /nfs/dbraw/zinc/00/66/94/1122006694.db2.gz ZJOPTAUDZOSPKK-GXFFZTMASA-N 2 1 288.357 3.729 20 0 CHADMP C[C@H](C[N@@H+](C)CCC[NH+]1CCCC1)c1cccc(Cl)c1 ZINC001181234590 1122044490 /nfs/dbraw/zinc/04/44/90/1122044490.db2.gz MLPGBHYNZFNGOW-OAHLLOKOSA-N 2 1 294.870 3.861 20 0 CHADMP FC(F)C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1 ZINC000420990353 1122053339 /nfs/dbraw/zinc/05/33/39/1122053339.db2.gz FJIDWGGHPLJWFA-MRXNPFEDSA-N 2 1 296.405 3.849 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001181515639 1122063295 /nfs/dbraw/zinc/06/32/95/1122063295.db2.gz VNFUJYVYYFWPIN-RTBURBONSA-N 2 1 288.479 3.844 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](CC)CCC(F)(F)F ZINC001181588284 1122063663 /nfs/dbraw/zinc/06/36/63/1122063663.db2.gz IBKUZAJGPJNCRW-OLZOCXBDSA-N 2 1 280.378 3.572 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](CC)CCC(F)(F)F ZINC001181588284 1122063669 /nfs/dbraw/zinc/06/36/69/1122063669.db2.gz IBKUZAJGPJNCRW-OLZOCXBDSA-N 2 1 280.378 3.572 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](CC)CCC(F)(F)F ZINC001181588305 1122063973 /nfs/dbraw/zinc/06/39/73/1122063973.db2.gz IBKUZAJGPJNCRW-STQMWFEESA-N 2 1 280.378 3.572 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](CC)CCC(F)(F)F ZINC001181588305 1122063977 /nfs/dbraw/zinc/06/39/77/1122063977.db2.gz IBKUZAJGPJNCRW-STQMWFEESA-N 2 1 280.378 3.572 20 0 CHADMP C([NH2+][C@H]1CCC12CCC2)[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000502387679 1122077696 /nfs/dbraw/zinc/07/76/96/1122077696.db2.gz BXXJUGDOMGJUGR-IRXDYDNUSA-N 2 1 276.468 3.706 20 0 CHADMP CCCc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)s1 ZINC001182034601 1122105057 /nfs/dbraw/zinc/10/50/57/1122105057.db2.gz ULEBOWPZMBGFED-QGZVFWFLSA-N 2 1 292.492 3.618 20 0 CHADMP CCCc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)s1 ZINC001182034601 1122105063 /nfs/dbraw/zinc/10/50/63/1122105063.db2.gz ULEBOWPZMBGFED-QGZVFWFLSA-N 2 1 292.492 3.618 20 0 CHADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)[C@H]1c1cccc(F)c1 ZINC000502913372 1122156053 /nfs/dbraw/zinc/15/60/53/1122156053.db2.gz IKIWQJAACRIKJY-ZTFGCOKTSA-N 2 1 290.426 3.693 20 0 CHADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)[C@H]1c1cccc(F)c1 ZINC000502913372 1122156056 /nfs/dbraw/zinc/15/60/56/1122156056.db2.gz IKIWQJAACRIKJY-ZTFGCOKTSA-N 2 1 290.426 3.693 20 0 CHADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)[C@H]1c1cccc(F)c1 ZINC000502913372 1122156060 /nfs/dbraw/zinc/15/60/60/1122156060.db2.gz IKIWQJAACRIKJY-ZTFGCOKTSA-N 2 1 290.426 3.693 20 0 CHADMP C[C@H](CC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1)CC(C)(C)C ZINC001237381660 1129035547 /nfs/dbraw/zinc/03/55/47/1129035547.db2.gz JKFSQEKJTMVOJR-PMPSAXMXSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@H](CC[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1)CC(C)(C)C ZINC001237381660 1129035552 /nfs/dbraw/zinc/03/55/52/1129035552.db2.gz JKFSQEKJTMVOJR-PMPSAXMXSA-N 2 1 266.473 3.523 20 0 CHADMP CC1=C(C)C[C@H]([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC001182908909 1122196205 /nfs/dbraw/zinc/19/62/05/1122196205.db2.gz DDVMSIVLEXGTAE-KZNAEPCWSA-N 2 1 278.484 3.833 20 0 CHADMP CC1=CC[C@H](CC[N@H+]2CCC[C@](C)([NH3+])CC2)C1(C)C ZINC001205256098 1122207304 /nfs/dbraw/zinc/20/73/04/1122207304.db2.gz MYZUNZNHOYQTQA-WBVHZDCISA-N 2 1 264.457 3.572 20 0 CHADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc3ccccc3c2)CC1 ZINC001205263703 1122215071 /nfs/dbraw/zinc/21/50/71/1122215071.db2.gz BQNSMVOGUKAEJS-SFHVURJKSA-N 2 1 268.404 3.543 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c2ccccc12 ZINC001205264707 1122217181 /nfs/dbraw/zinc/21/71/81/1122217181.db2.gz KWQVXQUFGUQFLK-IBGZPJMESA-N 2 1 282.431 3.852 20 0 CHADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1CCCCCC1)C2 ZINC001167959014 1122465919 /nfs/dbraw/zinc/46/59/19/1122465919.db2.gz MVVNDDDKXNTCME-AYHJJNSGSA-N 2 1 276.468 3.704 20 0 CHADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CCCCC1 ZINC001167959015 1122465932 /nfs/dbraw/zinc/46/59/32/1122465932.db2.gz MWNUZERUDZGONN-AYHJJNSGSA-N 2 1 276.468 3.562 20 0 CHADMP C[C@H](F)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515382958 1122496471 /nfs/dbraw/zinc/49/64/71/1122496471.db2.gz HZAYDUMLDZRNQS-RDJZCZTQSA-N 2 1 290.426 3.521 20 0 CHADMP C[C@H](F)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515382958 1122496475 /nfs/dbraw/zinc/49/64/75/1122496475.db2.gz HZAYDUMLDZRNQS-RDJZCZTQSA-N 2 1 290.426 3.521 20 0 CHADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000436248843 1122526332 /nfs/dbraw/zinc/52/63/32/1122526332.db2.gz CDGHZXQGCKRWST-QZTJIDSGSA-N 2 1 274.452 3.644 20 0 CHADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000436248843 1122526333 /nfs/dbraw/zinc/52/63/33/1122526333.db2.gz CDGHZXQGCKRWST-QZTJIDSGSA-N 2 1 274.452 3.644 20 0 CHADMP C[N@H+](CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1)C1CCCC1 ZINC000436236689 1122527475 /nfs/dbraw/zinc/52/74/75/1122527475.db2.gz BAJIAZQPSJVVEX-MSOLQXFVSA-N 2 1 286.463 3.787 20 0 CHADMP C[N@@H+](CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1)C1CCCC1 ZINC000436236689 1122527479 /nfs/dbraw/zinc/52/74/79/1122527479.db2.gz BAJIAZQPSJVVEX-MSOLQXFVSA-N 2 1 286.463 3.787 20 0 CHADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CCCC1 ZINC000436273773 1122533330 /nfs/dbraw/zinc/53/33/30/1122533330.db2.gz VBBGRLNNDCYRKI-QZTJIDSGSA-N 2 1 286.463 3.787 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](CC(C)C)C1CCCC1 ZINC001190572230 1122544711 /nfs/dbraw/zinc/54/47/11/1122544711.db2.gz SODIEBRRXVXCIT-UHFFFAOYSA-N 2 1 254.462 3.619 20 0 CHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001190651674 1122549772 /nfs/dbraw/zinc/54/97/72/1122549772.db2.gz PLKDIAFJMNRXSJ-KRWDZBQOSA-N 2 1 292.511 3.867 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000505821665 1122549840 /nfs/dbraw/zinc/54/98/40/1122549840.db2.gz ZMFFZVWAYWEXND-MCBHFWOFSA-N 2 1 284.447 3.649 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000505821665 1122549843 /nfs/dbraw/zinc/54/98/43/1122549843.db2.gz ZMFFZVWAYWEXND-MCBHFWOFSA-N 2 1 284.447 3.649 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000505821665 1122549846 /nfs/dbraw/zinc/54/98/46/1122549846.db2.gz ZMFFZVWAYWEXND-MCBHFWOFSA-N 2 1 284.447 3.649 20 0 CHADMP CC[N@@H+](CCC1CC[NH+](CCC(C)C)CC1)CC1CC1 ZINC001192500467 1122648611 /nfs/dbraw/zinc/64/86/11/1122648611.db2.gz IQJPWGBCLUBLCB-UHFFFAOYSA-N 2 1 280.500 3.867 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205603905 1122651856 /nfs/dbraw/zinc/65/18/56/1122651856.db2.gz SNBVNZAHVYEKNG-BBWFWOEESA-N 2 1 266.473 3.676 20 0 CHADMP Cc1ccc([C@H]([NH2+]C[C@@H](C)C[NH+](C)C)C2CCCC2)o1 ZINC000425914621 1122660008 /nfs/dbraw/zinc/66/00/08/1122660008.db2.gz BYXLTMKDJAWZTJ-CXAGYDPISA-N 2 1 278.440 3.607 20 0 CHADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc3ccc(C)cc3o2)C1 ZINC000425924534 1122662019 /nfs/dbraw/zinc/66/20/19/1122662019.db2.gz MVCVXCHDMAEVJH-CABCVRRESA-N 2 1 286.419 3.734 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc3ccc(C)cc3o2)C1 ZINC000425924534 1122662021 /nfs/dbraw/zinc/66/20/21/1122662021.db2.gz MVCVXCHDMAEVJH-CABCVRRESA-N 2 1 286.419 3.734 20 0 CHADMP Cc1cc2cc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)oc2cc1C ZINC000425935344 1122662690 /nfs/dbraw/zinc/66/26/90/1122662690.db2.gz CYEFKKDRMSMBMX-SWLSCSKDSA-N 2 1 288.435 3.898 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cccc3ccccc32)[C@H](C)C1 ZINC000153675982 1129074857 /nfs/dbraw/zinc/07/48/57/1129074857.db2.gz QPMDFNYMCFJGJL-OXQOHEQNSA-N 2 1 296.458 3.702 20 0 CHADMP C[C@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000506314333 1122718371 /nfs/dbraw/zinc/71/83/71/1122718371.db2.gz FCMHJRCORWVHQR-QFBILLFUSA-N 2 1 286.463 3.603 20 0 CHADMP C[C@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC000506314333 1122718375 /nfs/dbraw/zinc/71/83/75/1122718375.db2.gz FCMHJRCORWVHQR-QFBILLFUSA-N 2 1 286.463 3.603 20 0 CHADMP Cc1c(F)ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1Cl ZINC001205651584 1122742778 /nfs/dbraw/zinc/74/27/78/1122742778.db2.gz HCORUECXSGVPEV-YPMHNXCESA-N 2 1 298.833 3.594 20 0 CHADMP Cc1c(F)ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1Cl ZINC001205651582 1122742935 /nfs/dbraw/zinc/74/29/35/1122742935.db2.gz HCORUECXSGVPEV-DGCLKSJQSA-N 2 1 298.833 3.594 20 0 CHADMP CCc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)ccc1Cl ZINC001205652463 1122749425 /nfs/dbraw/zinc/74/94/25/1122749425.db2.gz PQKZGMZQYZULPK-XJKSGUPXSA-N 2 1 294.870 3.709 20 0 CHADMP CSc1cc(C)cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205652478 1122749470 /nfs/dbraw/zinc/74/94/70/1122749470.db2.gz PRVMGHYWOPKPIB-GDBMZVCRSA-N 2 1 292.492 3.524 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000439325801 1122771827 /nfs/dbraw/zinc/77/18/27/1122771827.db2.gz UBNDUGKWDFNNBY-QFBILLFUSA-N 2 1 297.446 3.850 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000439325801 1122771831 /nfs/dbraw/zinc/77/18/31/1122771831.db2.gz UBNDUGKWDFNNBY-QFBILLFUSA-N 2 1 297.446 3.850 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccc1 ZINC001167964857 1122795325 /nfs/dbraw/zinc/79/53/25/1122795325.db2.gz YWEIXJKVCBVVRP-FMJMRLDVSA-N 2 1 284.447 3.743 20 0 CHADMP CCCCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167965359 1122811073 /nfs/dbraw/zinc/81/10/73/1122811073.db2.gz CBDDLQITTKSTPD-CCNLRDMRSA-N 2 1 278.484 3.950 20 0 CHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000298703229 1122820691 /nfs/dbraw/zinc/82/06/91/1122820691.db2.gz FFCSDIHXCWBRHZ-MRXNPFEDSA-N 2 1 272.436 3.698 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000506942603 1122912623 /nfs/dbraw/zinc/91/26/23/1122912623.db2.gz KOKNQFQOPQTESV-QGZVFWFLSA-N 2 1 278.484 3.787 20 0 CHADMP C[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167985025 1122938726 /nfs/dbraw/zinc/93/87/26/1122938726.db2.gz SHRFWZKYOXRLTK-NAZJXLNTSA-N 2 1 276.468 3.514 20 0 CHADMP C[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167985025 1122938728 /nfs/dbraw/zinc/93/87/28/1122938728.db2.gz SHRFWZKYOXRLTK-NAZJXLNTSA-N 2 1 276.468 3.514 20 0 CHADMP C[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167985025 1122938730 /nfs/dbraw/zinc/93/87/30/1122938730.db2.gz SHRFWZKYOXRLTK-NAZJXLNTSA-N 2 1 276.468 3.514 20 0 CHADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2[C@H]2C=CCCC2)CC1 ZINC001196936130 1122940326 /nfs/dbraw/zinc/94/03/26/1122940326.db2.gz PYTIUGZNYKESQD-ROUUACIJSA-N 2 1 276.468 3.682 20 0 CHADMP CCc1cccnc1[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000507527765 1122963393 /nfs/dbraw/zinc/96/33/93/1122963393.db2.gz MYUBIRXMJHPPGS-HOCLYGCPSA-N 2 1 291.483 3.661 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+]1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC001198202040 1122982538 /nfs/dbraw/zinc/98/25/38/1122982538.db2.gz IJBACKYFWLAYKM-GOSISDBHSA-N 2 1 297.446 3.707 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+]1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC001198202040 1122982540 /nfs/dbraw/zinc/98/25/40/1122982540.db2.gz IJBACKYFWLAYKM-GOSISDBHSA-N 2 1 297.446 3.707 20 0 CHADMP C[NH+]1CCC([NH2+][C@@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000154732886 1129091415 /nfs/dbraw/zinc/09/14/15/1129091415.db2.gz IMEZPGWMMKVAJB-OAHLLOKOSA-N 2 1 299.245 3.665 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC[NH+](C(C)C)C(C)C ZINC001198908297 1123016370 /nfs/dbraw/zinc/01/63/70/1123016370.db2.gz OWZZIFJRYCWEMH-DLBZAZTESA-N 2 1 266.473 3.687 20 0 CHADMP CCCCCC[C@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000121520974 1123027479 /nfs/dbraw/zinc/02/74/79/1123027479.db2.gz JJTLUZAFWJOLJS-GJZGRUSLSA-N 2 1 265.445 3.776 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(C(C)C)cc1 ZINC000105443144 1123052463 /nfs/dbraw/zinc/05/24/63/1123052463.db2.gz KXJXXLQZODIJAF-HNNXBMFYSA-N 2 1 285.435 3.741 20 0 CHADMP Cc1c[nH+]c2n1CCC21CC[NH+](CC2CCCCC2)CC1 ZINC001201393711 1123091936 /nfs/dbraw/zinc/09/19/36/1123091936.db2.gz MBMNLWZGJGVSRV-UHFFFAOYSA-N 2 1 287.451 3.509 20 0 CHADMP CSc1cccc(Cl)c1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205917499 1123102631 /nfs/dbraw/zinc/10/26/31/1123102631.db2.gz ZGUVRVFXHLRRFW-NWDGAFQWSA-N 2 1 298.883 3.621 20 0 CHADMP CSc1cccc(Cl)c1C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205917499 1123102632 /nfs/dbraw/zinc/10/26/32/1123102632.db2.gz ZGUVRVFXHLRRFW-NWDGAFQWSA-N 2 1 298.883 3.621 20 0 CHADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC(N1CCC[C@@H]3CCC[C@H]31)C2 ZINC001167994829 1123102761 /nfs/dbraw/zinc/10/27/61/1123102761.db2.gz QNTRPFVAYLGBFZ-QRXAFDDPSA-N 2 1 288.479 3.656 20 0 CHADMP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCC[C@@H]3CCC[C@H]31)C2 ZINC001167994829 1123102766 /nfs/dbraw/zinc/10/27/66/1123102766.db2.gz QNTRPFVAYLGBFZ-QRXAFDDPSA-N 2 1 288.479 3.656 20 0 CHADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCC[C@@H]3CCC[C@H]31)C2 ZINC001167994829 1123102767 /nfs/dbraw/zinc/10/27/67/1123102767.db2.gz QNTRPFVAYLGBFZ-QRXAFDDPSA-N 2 1 288.479 3.656 20 0 CHADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@@H+]1CCC[C@@H]3CCC[C@H]31)C2 ZINC001167994829 1123102769 /nfs/dbraw/zinc/10/27/69/1123102769.db2.gz QNTRPFVAYLGBFZ-QRXAFDDPSA-N 2 1 288.479 3.656 20 0 CHADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@H+]1CCC[C@@H]3CCC[C@H]31)C2 ZINC001167994829 1123102772 /nfs/dbraw/zinc/10/27/72/1123102772.db2.gz QNTRPFVAYLGBFZ-QRXAFDDPSA-N 2 1 288.479 3.656 20 0 CHADMP c1ccc([C@H]2CC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167994268 1123103633 /nfs/dbraw/zinc/10/36/33/1123103633.db2.gz AVEUZNNLICZZDS-JIRNRHONSA-N 2 1 296.458 3.839 20 0 CHADMP c1ccc([C@H]2CC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167994268 1123103636 /nfs/dbraw/zinc/10/36/36/1123103636.db2.gz AVEUZNNLICZZDS-JIRNRHONSA-N 2 1 296.458 3.839 20 0 CHADMP c1ccc([C@H]2CC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167994268 1123103639 /nfs/dbraw/zinc/10/36/39/1123103639.db2.gz AVEUZNNLICZZDS-JIRNRHONSA-N 2 1 296.458 3.839 20 0 CHADMP C[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@@H]1C ZINC001167995456 1123106708 /nfs/dbraw/zinc/10/67/08/1123106708.db2.gz GGICYWNGBWVFPM-SUQXETJPSA-N 2 1 276.468 3.512 20 0 CHADMP C[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@@H]1C ZINC001167995456 1123106711 /nfs/dbraw/zinc/10/67/11/1123106711.db2.gz GGICYWNGBWVFPM-SUQXETJPSA-N 2 1 276.468 3.512 20 0 CHADMP C[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@@H]1C ZINC001167995456 1123106713 /nfs/dbraw/zinc/10/67/13/1123106713.db2.gz GGICYWNGBWVFPM-SUQXETJPSA-N 2 1 276.468 3.512 20 0 CHADMP C[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@H]1C ZINC001167995457 1123107103 /nfs/dbraw/zinc/10/71/03/1123107103.db2.gz GGICYWNGBWVFPM-ULHQQGCDSA-N 2 1 276.468 3.512 20 0 CHADMP C[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@H]1C ZINC001167995457 1123107105 /nfs/dbraw/zinc/10/71/05/1123107105.db2.gz GGICYWNGBWVFPM-ULHQQGCDSA-N 2 1 276.468 3.512 20 0 CHADMP C[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@H]1C ZINC001167995457 1123107107 /nfs/dbraw/zinc/10/71/07/1123107107.db2.gz GGICYWNGBWVFPM-ULHQQGCDSA-N 2 1 276.468 3.512 20 0 CHADMP CCC(CC)C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001201536326 1123115530 /nfs/dbraw/zinc/11/55/30/1123115530.db2.gz YHCAKYOHHDKTDN-DLBZAZTESA-N 2 1 266.473 3.761 20 0 CHADMP CCC(CC)C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001201536326 1123115531 /nfs/dbraw/zinc/11/55/31/1123115531.db2.gz YHCAKYOHHDKTDN-DLBZAZTESA-N 2 1 266.473 3.761 20 0 CHADMP CCC(CC)C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001201536326 1123115532 /nfs/dbraw/zinc/11/55/32/1123115532.db2.gz YHCAKYOHHDKTDN-DLBZAZTESA-N 2 1 266.473 3.761 20 0 CHADMP CC[C@H](C)C[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001201521627 1123121501 /nfs/dbraw/zinc/12/15/01/1123121501.db2.gz WNVNEOPSJLVIRH-HNNXBMFYSA-N 2 1 266.473 3.761 20 0 CHADMP CCCC[C@H](CC)C[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001201560558 1123124297 /nfs/dbraw/zinc/12/42/97/1123124297.db2.gz UIJATHRYUKXPQZ-INIZCTEOSA-N 2 1 278.484 3.621 20 0 CHADMP CCCC[C@H](CC)C[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001201560558 1123124298 /nfs/dbraw/zinc/12/42/98/1123124298.db2.gz UIJATHRYUKXPQZ-INIZCTEOSA-N 2 1 278.484 3.621 20 0 CHADMP CCCC[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001201717244 1123139885 /nfs/dbraw/zinc/13/98/85/1123139885.db2.gz ICFBTOAPCAFHCH-IBGZPJMESA-N 2 1 286.463 3.775 20 0 CHADMP CCCC[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001201717244 1123139889 /nfs/dbraw/zinc/13/98/89/1123139889.db2.gz ICFBTOAPCAFHCH-IBGZPJMESA-N 2 1 286.463 3.775 20 0 CHADMP CCCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001201717244 1123139890 /nfs/dbraw/zinc/13/98/90/1123139890.db2.gz ICFBTOAPCAFHCH-IBGZPJMESA-N 2 1 286.463 3.775 20 0 CHADMP CCCCC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001201737579 1123143302 /nfs/dbraw/zinc/14/33/02/1123143302.db2.gz VQEMYFSOEJKNEJ-OALUTQOASA-N 2 1 286.463 3.631 20 0 CHADMP CCCCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201737579 1123143303 /nfs/dbraw/zinc/14/33/03/1123143303.db2.gz VQEMYFSOEJKNEJ-OALUTQOASA-N 2 1 286.463 3.631 20 0 CHADMP CCCCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201737579 1123143304 /nfs/dbraw/zinc/14/33/04/1123143304.db2.gz VQEMYFSOEJKNEJ-OALUTQOASA-N 2 1 286.463 3.631 20 0 CHADMP CCCCCC[N@@H+]1C[C@@H]2C[C@@H](CN(Cc3ccco3)C2)C1 ZINC001201750100 1123145222 /nfs/dbraw/zinc/14/52/22/1123145222.db2.gz GZPNGYLJARQYBM-CALCHBBNSA-N 2 1 290.451 3.614 20 0 CHADMP CCCCCC[N@H+]1C[C@H]2C[C@H](C[NH+](Cc3ccco3)C2)C1 ZINC001201750100 1123145225 /nfs/dbraw/zinc/14/52/25/1123145225.db2.gz GZPNGYLJARQYBM-CALCHBBNSA-N 2 1 290.451 3.614 20 0 CHADMP CCCCCC[N@@H+]1C[C@H]2C[C@H](C[NH+](Cc3ccco3)C2)C1 ZINC001201750100 1123145226 /nfs/dbraw/zinc/14/52/26/1123145226.db2.gz GZPNGYLJARQYBM-CALCHBBNSA-N 2 1 290.451 3.614 20 0 CHADMP CCCCCC[NH+]1C[C@H]2C[C@@H](C1)C[N@@H+](Cc1ccco1)C2 ZINC001201750100 1123145228 /nfs/dbraw/zinc/14/52/28/1123145228.db2.gz GZPNGYLJARQYBM-CALCHBBNSA-N 2 1 290.451 3.614 20 0 CHADMP CCCCCC[NH+]1C[C@H]2C[C@@H](C1)C[N@H+](Cc1ccco1)C2 ZINC001201750100 1123145229 /nfs/dbraw/zinc/14/52/29/1123145229.db2.gz GZPNGYLJARQYBM-CALCHBBNSA-N 2 1 290.451 3.614 20 0 CHADMP CCCCCC[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001201746409 1123145321 /nfs/dbraw/zinc/14/53/21/1123145321.db2.gz GNNMQOBTMUIBLQ-HOTGVXAUSA-N 2 1 292.492 3.692 20 0 CHADMP [NH3+][C@@H]1CCCC[N@H+](Cc2cccc(-c3ccsc3)c2)C1 ZINC001205932360 1123170558 /nfs/dbraw/zinc/17/05/58/1123170558.db2.gz QYGVYRMIEQNWKT-QGZVFWFLSA-N 2 1 286.444 3.728 20 0 CHADMP [NH3+][C@@H]1CCCC[N@@H+](Cc2cccc(-c3ccsc3)c2)C1 ZINC001205932360 1123170560 /nfs/dbraw/zinc/17/05/60/1123170560.db2.gz QYGVYRMIEQNWKT-QGZVFWFLSA-N 2 1 286.444 3.728 20 0 CHADMP CC(C)(C)CC[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001202065026 1123171445 /nfs/dbraw/zinc/17/14/45/1123171445.db2.gz HFRFKJCRPAXIEH-HUUCEWRRSA-N 2 1 292.492 3.548 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+]1CCCC[C@@H]([NH3+])C1 ZINC001205933111 1123173592 /nfs/dbraw/zinc/17/35/92/1123173592.db2.gz YJBKCQKPUCFCEW-CYBMUJFWSA-N 2 1 274.433 3.523 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+]1CCCC[C@@H]([NH3+])C1 ZINC001205933111 1123173596 /nfs/dbraw/zinc/17/35/96/1123173596.db2.gz YJBKCQKPUCFCEW-CYBMUJFWSA-N 2 1 274.433 3.523 20 0 CHADMP C[C@H]1CC[C@H]([N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001168005215 1123196086 /nfs/dbraw/zinc/19/60/86/1123196086.db2.gz IAJVHBYYRRXCQE-JROWMXPESA-N 2 1 290.495 3.902 20 0 CHADMP C[C@H]1CC[C@H]([NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001168005215 1123196091 /nfs/dbraw/zinc/19/60/91/1123196091.db2.gz IAJVHBYYRRXCQE-JROWMXPESA-N 2 1 290.495 3.902 20 0 CHADMP C[C@H]1CC[C@H]([NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168005215 1123196094 /nfs/dbraw/zinc/19/60/94/1123196094.db2.gz IAJVHBYYRRXCQE-JROWMXPESA-N 2 1 290.495 3.902 20 0 CHADMP Cc1cc2c(cc1C)[C@H]([NH2+][C@H](C)CC[NH+](C)C)CCS2 ZINC000427715391 1123245903 /nfs/dbraw/zinc/24/59/03/1123245903.db2.gz QIDSWMRZOQOQDO-GDBMZVCRSA-N 2 1 292.492 3.770 20 0 CHADMP Cc1ccc2cc([C@@H](C)[NH2+]CC3([NH3+])CCCC3)oc2c1 ZINC000665246527 1123255571 /nfs/dbraw/zinc/25/55/71/1123255571.db2.gz HQVXFZCXEGQBIL-CYBMUJFWSA-N 2 1 272.392 3.663 20 0 CHADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000311439695 1129109349 /nfs/dbraw/zinc/10/93/49/1129109349.db2.gz OZYOUBWKWJQTBX-UONOGXRCSA-N 2 1 282.859 3.589 20 0 CHADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000311439695 1129109350 /nfs/dbraw/zinc/10/93/50/1129109350.db2.gz OZYOUBWKWJQTBX-UONOGXRCSA-N 2 1 282.859 3.589 20 0 CHADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(-c2ccncc2)cc1 ZINC000665249418 1123263594 /nfs/dbraw/zinc/26/35/94/1123263594.db2.gz QALHWLKKJYORSN-HNNXBMFYSA-N 2 1 295.430 3.671 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCC12CCCC2 ZINC000474031313 1123304145 /nfs/dbraw/zinc/30/41/45/1123304145.db2.gz IHHLPERERZQQID-HZPDHXFCSA-N 2 1 264.457 3.563 20 0 CHADMP C[NH+](C)C1(C[NH2+]C2CCC(C(F)F)CC2)CCCCC1 ZINC000442636569 1123330104 /nfs/dbraw/zinc/33/01/04/1123330104.db2.gz UADAWMKSEKHVGQ-UHFFFAOYSA-N 2 1 288.426 3.664 20 0 CHADMP CSc1ccccc1[C@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000442713693 1123334954 /nfs/dbraw/zinc/33/49/54/1123334954.db2.gz JMDKGHVUMAFCSI-AWEZNQCLSA-N 2 1 280.481 3.789 20 0 CHADMP CSc1ccccc1[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000442713693 1123334958 /nfs/dbraw/zinc/33/49/58/1123334958.db2.gz JMDKGHVUMAFCSI-AWEZNQCLSA-N 2 1 280.481 3.789 20 0 CHADMP C(C[NH+]1CCC[C@@H]1C1CCC1)C[N@H+]1CCC[C@H]1C1CCC1 ZINC000487422553 1123349842 /nfs/dbraw/zinc/34/98/42/1123349842.db2.gz ZHBIJKZGDWGOHZ-KDURUIRLSA-N 2 1 290.495 3.906 20 0 CHADMP C(C[NH+]1CCC[C@H]1C1CCC1)C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000487422553 1123349845 /nfs/dbraw/zinc/34/98/45/1123349845.db2.gz ZHBIJKZGDWGOHZ-KDURUIRLSA-N 2 1 290.495 3.906 20 0 CHADMP C(C[NH+]1CCC[C@H]1C1CCC1)C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000487422553 1123349851 /nfs/dbraw/zinc/34/98/51/1123349851.db2.gz ZHBIJKZGDWGOHZ-KDURUIRLSA-N 2 1 290.495 3.906 20 0 CHADMP C[C@@H]([NH2+]CC=C(Cl)Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000851925837 1123389740 /nfs/dbraw/zinc/38/97/40/1123389740.db2.gz CFSWURVUSWJIDF-NEPJUHHUSA-N 2 1 291.266 3.548 20 0 CHADMP C[C@@H]([NH2+]CC=C(Cl)Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000851925837 1123389742 /nfs/dbraw/zinc/38/97/42/1123389742.db2.gz CFSWURVUSWJIDF-NEPJUHHUSA-N 2 1 291.266 3.548 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000443414160 1123395168 /nfs/dbraw/zinc/39/51/68/1123395168.db2.gz ONMAIYJULMBEEB-FUHWJXTLSA-N 2 1 278.484 3.783 20 0 CHADMP CC1=CCC[C@@H](C)[C@@H]1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000443414163 1123395227 /nfs/dbraw/zinc/39/52/27/1123395227.db2.gz ONMAIYJULMBEEB-SJLPKXTDSA-N 2 1 278.484 3.783 20 0 CHADMP Clc1csc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000853092683 1123423826 /nfs/dbraw/zinc/42/38/26/1123423826.db2.gz IBHIIGZTUKWKAF-ZDUSSCGKSA-N 2 1 298.883 3.613 20 0 CHADMP CC(C)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000157019203 1129121085 /nfs/dbraw/zinc/12/10/85/1129121085.db2.gz RTAIHRXBOCGAQV-FUHWJXTLSA-N 2 1 274.452 3.627 20 0 CHADMP CC(C)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000157019203 1129121088 /nfs/dbraw/zinc/12/10/88/1129121088.db2.gz RTAIHRXBOCGAQV-FUHWJXTLSA-N 2 1 274.452 3.627 20 0 CHADMP CC(C)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157019203 1129121090 /nfs/dbraw/zinc/12/10/90/1129121090.db2.gz RTAIHRXBOCGAQV-FUHWJXTLSA-N 2 1 274.452 3.627 20 0 CHADMP CC(C)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157019203 1129121094 /nfs/dbraw/zinc/12/10/94/1129121094.db2.gz RTAIHRXBOCGAQV-FUHWJXTLSA-N 2 1 274.452 3.627 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2C(C)=CCC[C@@H]2C)C1 ZINC000443641901 1123456249 /nfs/dbraw/zinc/45/62/49/1123456249.db2.gz MVOIKYBHHXPUCQ-BZSNNMDCSA-N 2 1 278.484 3.643 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2C(C)=CCC[C@@H]2C)C1 ZINC000443641901 1123456252 /nfs/dbraw/zinc/45/62/52/1123456252.db2.gz MVOIKYBHHXPUCQ-BZSNNMDCSA-N 2 1 278.484 3.643 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2C(C)=CCC[C@@H]2C)C1 ZINC000443641901 1123456254 /nfs/dbraw/zinc/45/62/54/1123456254.db2.gz MVOIKYBHHXPUCQ-BZSNNMDCSA-N 2 1 278.484 3.643 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2C(C)=CCC[C@H]2C)C1 ZINC000443641379 1123456939 /nfs/dbraw/zinc/45/69/39/1123456939.db2.gz PHFTXZKWDVBWQH-SQNIBIBYSA-N 2 1 278.484 3.643 20 0 CHADMP Cc1[nH+]ccn1CCCNc1cc(C)[nH+]c2ccccc12 ZINC000033980141 1123489244 /nfs/dbraw/zinc/48/92/44/1123489244.db2.gz VVLSJNXRIAIGKY-UHFFFAOYSA-N 2 1 280.375 3.550 20 0 CHADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(Cl)cccc2CC)C1 ZINC000474348497 1123510147 /nfs/dbraw/zinc/51/01/47/1123510147.db2.gz MSUACQMQNPVHQU-AWEZNQCLSA-N 2 1 294.870 3.724 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(Cl)cccc2CC)C1 ZINC000474348497 1123510149 /nfs/dbraw/zinc/51/01/49/1123510149.db2.gz MSUACQMQNPVHQU-AWEZNQCLSA-N 2 1 294.870 3.724 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000157307364 1129126681 /nfs/dbraw/zinc/12/66/81/1129126681.db2.gz DDKLNRFRMRWSHR-CLCXKQKWSA-N 2 1 282.431 3.658 20 0 CHADMP CCC[N@H+](CC)CC[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000474795011 1123588330 /nfs/dbraw/zinc/58/83/30/1123588330.db2.gz UXBGRTQJPFNZJB-CVEARBPZSA-N 2 1 292.467 3.509 20 0 CHADMP CCC[N@@H+](CC)CC[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000474795011 1123588334 /nfs/dbraw/zinc/58/83/34/1123588334.db2.gz UXBGRTQJPFNZJB-CVEARBPZSA-N 2 1 292.467 3.509 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C2CCCCCCC2)CC1(C)C ZINC000858086442 1123630326 /nfs/dbraw/zinc/63/03/26/1123630326.db2.gz IJHMYGHWDGCLGI-HNNXBMFYSA-N 2 1 252.446 3.562 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)s1 ZINC000858106882 1123631859 /nfs/dbraw/zinc/63/18/59/1123631859.db2.gz CICXDQKOTPINGE-STQMWFEESA-N 2 1 266.454 3.580 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000858106882 1123631863 /nfs/dbraw/zinc/63/18/63/1123631863.db2.gz CICXDQKOTPINGE-STQMWFEESA-N 2 1 266.454 3.580 20 0 CHADMP CCC[C@@H](C)CCC[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000858345969 1123646996 /nfs/dbraw/zinc/64/69/96/1123646996.db2.gz DNBYBWDSKXXPHQ-HUUCEWRRSA-N 2 1 254.462 3.665 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000275440848 1129136593 /nfs/dbraw/zinc/13/65/93/1129136593.db2.gz FIBGBYJXISHKEG-LZQZEXGQSA-N 2 1 297.446 3.754 20 0 CHADMP CC[C@H](C)C[N@@H+](CC)Cc1cc(-n2ccnc2)cs1 ZINC000346176239 1123670026 /nfs/dbraw/zinc/67/00/26/1123670026.db2.gz OKHQGPYYNYFZTC-ZDUSSCGKSA-N 2 1 277.437 3.802 20 0 CHADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1C ZINC000346305444 1123679359 /nfs/dbraw/zinc/67/93/59/1123679359.db2.gz IGQYGGBMECVLQL-MOPGFXCFSA-N 2 1 297.446 3.850 20 0 CHADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1C ZINC000346305444 1123679360 /nfs/dbraw/zinc/67/93/60/1123679360.db2.gz IGQYGGBMECVLQL-MOPGFXCFSA-N 2 1 297.446 3.850 20 0 CHADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000346692906 1123706817 /nfs/dbraw/zinc/70/68/17/1123706817.db2.gz JRRQVRLEUOPGQQ-IBGZPJMESA-N 2 1 297.446 3.554 20 0 CHADMP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000158226650 1129141517 /nfs/dbraw/zinc/14/15/17/1129141517.db2.gz HQIQIMJLEZFMLA-MOPGFXCFSA-N 2 1 288.479 3.575 20 0 CHADMP Cc1ccc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)s1 ZINC000629757623 1123742089 /nfs/dbraw/zinc/74/20/89/1123742089.db2.gz IGFJUXRXYWUBNU-UHFFFAOYSA-N 2 1 286.444 3.647 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3)cc2F)CC[C@@H]1[NH3+] ZINC000347004058 1123742932 /nfs/dbraw/zinc/74/29/32/1123742932.db2.gz NEQTXBIDISMRTH-KUHUBIRLSA-N 2 1 298.405 3.662 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)cc2F)CC[C@@H]1[NH3+] ZINC000347004058 1123742934 /nfs/dbraw/zinc/74/29/34/1123742934.db2.gz NEQTXBIDISMRTH-KUHUBIRLSA-N 2 1 298.405 3.662 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000173441889 1123788725 /nfs/dbraw/zinc/78/87/25/1123788725.db2.gz SLBHUCMHXMHGCH-GFCCVEGCSA-N 2 1 293.361 3.601 20 0 CHADMP C[C@@H](C[N@H+]1CCC[C@H](c2ncc[nH]2)C1)C1CCCCC1 ZINC000339037524 1123809037 /nfs/dbraw/zinc/80/90/37/1123809037.db2.gz NCANJIGSWBFTJF-HOCLYGCPSA-N 2 1 275.440 3.806 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000237463088 1123849794 /nfs/dbraw/zinc/84/97/94/1123849794.db2.gz PWROOGMWDSNTRU-MRXNPFEDSA-N 2 1 299.462 3.770 20 0 CHADMP Cc1cccc(NC2CC[NH+](Cc3ccccc3C)CC2)[nH+]1 ZINC000301270382 1123886847 /nfs/dbraw/zinc/88/68/47/1123886847.db2.gz GWAWKRNDIOYEBX-UHFFFAOYSA-N 2 1 295.430 3.775 20 0 CHADMP C[NH+](C)[C@H](CNc1cc[nH+]c2ccc(Cl)cc12)C1CC1 ZINC000301979276 1123948291 /nfs/dbraw/zinc/94/82/91/1123948291.db2.gz HGQIKGHVPHHBHS-MRXNPFEDSA-N 2 1 289.810 3.640 20 0 CHADMP Cc1cc(NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc[nH+]1 ZINC000302335455 1123966600 /nfs/dbraw/zinc/96/66/00/1123966600.db2.gz VHKQDIFBNLFPTG-GASCZTMLSA-N 2 1 275.440 3.560 20 0 CHADMP CCC(CC)(C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(F)(F)F ZINC000865756378 1124010435 /nfs/dbraw/zinc/01/04/35/1124010435.db2.gz LHAMCAYWNTYRKK-LBPRGKRZSA-N 2 1 294.405 3.818 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000035011804 1124022808 /nfs/dbraw/zinc/02/28/08/1124022808.db2.gz PQUHCAYNXZCWBH-HNNXBMFYSA-N 2 1 286.463 3.700 20 0 CHADMP Cc1cccc(C[C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000866275167 1124046021 /nfs/dbraw/zinc/04/60/21/1124046021.db2.gz XZDPYQDFALUEPD-UXDRXVOSSA-N 2 1 286.463 3.531 20 0 CHADMP Cc1cccc(C[C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000866275167 1124046023 /nfs/dbraw/zinc/04/60/23/1124046023.db2.gz XZDPYQDFALUEPD-UXDRXVOSSA-N 2 1 286.463 3.531 20 0 CHADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(C(F)(F)F)s1 ZINC000717983250 1129164909 /nfs/dbraw/zinc/16/49/09/1129164909.db2.gz AZWLNFKHKWVQPQ-UWVGGRQHSA-N 2 1 294.386 3.758 20 0 CHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC2(CCCC2)C1 ZINC000445875014 1124105694 /nfs/dbraw/zinc/10/56/94/1124105694.db2.gz MAPZGLOILTVRQI-INIZCTEOSA-N 2 1 264.457 3.517 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000525985803 1124490793 /nfs/dbraw/zinc/49/07/93/1124490793.db2.gz SWIXZFMRKYYOMI-KKUMJFAQSA-N 2 1 294.870 3.763 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(Cl)c2)C[C@H]1C ZINC000447723890 1124516904 /nfs/dbraw/zinc/51/69/04/1124516904.db2.gz RWYAITBWYFWNPN-GDBMZVCRSA-N 2 1 294.870 3.953 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(Cl)c2)C[C@H]1C ZINC000447723890 1124516922 /nfs/dbraw/zinc/51/69/22/1124516922.db2.gz RWYAITBWYFWNPN-GDBMZVCRSA-N 2 1 294.870 3.953 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)c(Cl)c2)C[C@H]1C ZINC000447723890 1124516926 /nfs/dbraw/zinc/51/69/26/1124516926.db2.gz RWYAITBWYFWNPN-GDBMZVCRSA-N 2 1 294.870 3.953 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(Cl)c2)C[C@H]1C ZINC000447723890 1124516939 /nfs/dbraw/zinc/51/69/39/1124516939.db2.gz RWYAITBWYFWNPN-GDBMZVCRSA-N 2 1 294.870 3.953 20 0 CHADMP Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cccc2ccoc21 ZINC000449035329 1124636177 /nfs/dbraw/zinc/63/61/77/1124636177.db2.gz GLPCRTAFPYLCLP-QGZVFWFLSA-N 2 1 295.386 3.602 20 0 CHADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccc2ccoc21 ZINC000449035329 1124636178 /nfs/dbraw/zinc/63/61/78/1124636178.db2.gz GLPCRTAFPYLCLP-QGZVFWFLSA-N 2 1 295.386 3.602 20 0 CHADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccc2ccoc21 ZINC000449035329 1124636179 /nfs/dbraw/zinc/63/61/79/1124636179.db2.gz GLPCRTAFPYLCLP-QGZVFWFLSA-N 2 1 295.386 3.602 20 0 CHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc3ccoc32)C1 ZINC000449036725 1124638547 /nfs/dbraw/zinc/63/85/47/1124638547.db2.gz LAIDSWQFUSGXKX-INIZCTEOSA-N 2 1 298.430 3.597 20 0 CHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cccc3ccoc32)C1 ZINC000449036725 1124638549 /nfs/dbraw/zinc/63/85/49/1124638549.db2.gz LAIDSWQFUSGXKX-INIZCTEOSA-N 2 1 298.430 3.597 20 0 CHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cccc3ccoc32)C1 ZINC000449036725 1124638551 /nfs/dbraw/zinc/63/85/51/1124638551.db2.gz LAIDSWQFUSGXKX-INIZCTEOSA-N 2 1 298.430 3.597 20 0 CHADMP Cc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000449082062 1124646845 /nfs/dbraw/zinc/64/68/45/1124646845.db2.gz KDGMEZGDMATSOY-AWEZNQCLSA-N 2 1 280.481 3.658 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)CC(C)(C)C)C1 ZINC000449129831 1124653304 /nfs/dbraw/zinc/65/33/04/1124653304.db2.gz DRVBQLVPOUGJNB-HUUCEWRRSA-N 2 1 254.462 3.521 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)C1CCCC1 ZINC000449131479 1124652942 /nfs/dbraw/zinc/65/29/42/1124652942.db2.gz MWQNCTFPHVVARM-DOTOQJQBSA-N 2 1 266.473 3.665 20 0 CHADMP C[NH+]1CCC([NH2+][C@H]2CC(C)(C)Sc3ccccc32)CC1 ZINC000872018113 1124657277 /nfs/dbraw/zinc/65/72/77/1124657277.db2.gz INUBFINFIYUDCU-HNNXBMFYSA-N 2 1 290.476 3.686 20 0 CHADMP C[N@H+](CCCCCC[NH3+])Cc1csc(C2CCCC2)n1 ZINC000872155821 1124695474 /nfs/dbraw/zinc/69/54/74/1124695474.db2.gz WSJIMZHBMUWLRW-UHFFFAOYSA-N 2 1 295.496 3.752 20 0 CHADMP C[N@@H+](CCCCCC[NH3+])Cc1csc(C2CCCC2)n1 ZINC000872155821 1124695483 /nfs/dbraw/zinc/69/54/83/1124695483.db2.gz WSJIMZHBMUWLRW-UHFFFAOYSA-N 2 1 295.496 3.752 20 0 CHADMP CCC(CC)(C[NH2+][C@H](C)c1c[nH+]ccc1N)C(F)(F)F ZINC000873247114 1124755489 /nfs/dbraw/zinc/75/54/89/1124755489.db2.gz IMNRGIQKSCFHCI-SNVBAGLBSA-N 2 1 289.345 3.513 20 0 CHADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449485637 1124765163 /nfs/dbraw/zinc/76/51/63/1124765163.db2.gz QVQVRYMKFIZBKX-NQYYFHDYSA-N 2 1 286.463 3.533 20 0 CHADMP CC[C@@H]1C[C@H]1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449485639 1124765562 /nfs/dbraw/zinc/76/55/62/1124765562.db2.gz QVQVRYMKFIZBKX-YSHGAJCASA-N 2 1 286.463 3.533 20 0 CHADMP Cc1ccc([C@H]2CCC[C@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000449561014 1124803604 /nfs/dbraw/zinc/80/36/04/1124803604.db2.gz RPHBFOWACFGCKQ-DGDSNLKDSA-N 2 1 298.474 3.846 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000449743358 1124858278 /nfs/dbraw/zinc/85/82/78/1124858278.db2.gz WXZXDTDSRPFTRQ-TTYHFUOFSA-N 2 1 298.474 3.675 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000449743358 1124858283 /nfs/dbraw/zinc/85/82/83/1124858283.db2.gz WXZXDTDSRPFTRQ-TTYHFUOFSA-N 2 1 298.474 3.675 20 0 CHADMP CC(C)[N@@H+](Cc1ncc(CN(C)C)s1)C1CC(C)(C)C1 ZINC000449784194 1124871614 /nfs/dbraw/zinc/87/16/14/1124871614.db2.gz VWOBMQAEOUCMEB-UHFFFAOYSA-N 2 1 295.496 3.604 20 0 CHADMP C[C@H](CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)CC(C)(C)C ZINC000443205729 1124912715 /nfs/dbraw/zinc/91/27/15/1124912715.db2.gz UOZLYPGCEDHXMO-QKPAOTATSA-N 2 1 268.489 3.767 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CSC(C)(C)C)C1 ZINC000125850222 1124934488 /nfs/dbraw/zinc/93/44/88/1124934488.db2.gz VKPFGLUHCRMCTH-LSDHHAIUSA-N 2 1 286.529 3.617 20 0 CHADMP C(=C\c1ccccc1)\CC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000450265259 1124964671 /nfs/dbraw/zinc/96/46/71/1124964671.db2.gz IZDZBAIZOJYROP-WMZJFQQLSA-N 2 1 284.447 3.650 20 0 CHADMP C(=C/c1ccccc1)\CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000450437944 1125027364 /nfs/dbraw/zinc/02/73/64/1125027364.db2.gz LQNHEUVIEPBHOJ-XGHQVWIYSA-N 2 1 298.474 3.898 20 0 CHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC/C=C/c2ccccc2)C1 ZINC000450459108 1125037005 /nfs/dbraw/zinc/03/70/05/1125037005.db2.gz ZRGCURRDFKBSFK-MRSBXDGLSA-N 2 1 298.474 3.754 20 0 CHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC/C=C/c2ccccc2)C1 ZINC000450459108 1125037013 /nfs/dbraw/zinc/03/70/13/1125037013.db2.gz ZRGCURRDFKBSFK-MRSBXDGLSA-N 2 1 298.474 3.754 20 0 CHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC000450459108 1125037020 /nfs/dbraw/zinc/03/70/20/1125037020.db2.gz ZRGCURRDFKBSFK-MRSBXDGLSA-N 2 1 298.474 3.754 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC000392236900 1125142867 /nfs/dbraw/zinc/14/28/67/1125142867.db2.gz GSJAEXKVXADGFT-DLBZAZTESA-N 2 1 278.484 3.833 20 0 CHADMP CC(C)[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000530469504 1125157558 /nfs/dbraw/zinc/15/75/58/1125157558.db2.gz GHHTZGYRBINPQQ-MJGOQNOKSA-N 2 1 286.463 3.533 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(Cl)c2)C[C@H]1C ZINC000530662720 1125169936 /nfs/dbraw/zinc/16/99/36/1125169936.db2.gz JCGCAJGUAQNBJO-CJNGLKHVSA-N 2 1 280.843 3.645 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(Cl)c2)C[C@H]1C ZINC000530662720 1125169939 /nfs/dbraw/zinc/16/99/39/1125169939.db2.gz JCGCAJGUAQNBJO-CJNGLKHVSA-N 2 1 280.843 3.645 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(Cl)c2)C[C@H]1C ZINC000530662720 1125169943 /nfs/dbraw/zinc/16/99/43/1125169943.db2.gz JCGCAJGUAQNBJO-CJNGLKHVSA-N 2 1 280.843 3.645 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(Cl)c2)C[C@H]1C ZINC000530662720 1125169944 /nfs/dbraw/zinc/16/99/44/1125169944.db2.gz JCGCAJGUAQNBJO-CJNGLKHVSA-N 2 1 280.843 3.645 20 0 CHADMP Cc1cc2cc(CN[C@@H]3CC[N@@H+](C)[C@H](C)C3)oc2cc1C ZINC000530913152 1125186837 /nfs/dbraw/zinc/18/68/37/1125186837.db2.gz USHGPZITCCYCIS-GDBMZVCRSA-N 2 1 286.419 3.622 20 0 CHADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C)o1 ZINC000531430204 1125218097 /nfs/dbraw/zinc/21/80/97/1125218097.db2.gz ZPESTAMRKVKRTL-WBVHZDCISA-N 2 1 278.440 3.578 20 0 CHADMP CC[C@@H](CCC(F)(F)F)[NH2+]C[C@H](CC)[NH+]1CCCC1 ZINC000872020877 1125263094 /nfs/dbraw/zinc/26/30/94/1125263094.db2.gz KUNWKCFIBFSODA-STQMWFEESA-N 2 1 280.378 3.572 20 0 CHADMP CC(C)(C)C1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000035054415 1125302408 /nfs/dbraw/zinc/30/24/08/1125302408.db2.gz QEOYCXCYBMTNFQ-UHFFFAOYSA-N 2 1 278.484 3.808 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398074693 1125331886 /nfs/dbraw/zinc/33/18/86/1125331886.db2.gz FKIBUNUCSDWXIK-ZMMAXQRCSA-N 2 1 288.479 3.921 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398074693 1125331891 /nfs/dbraw/zinc/33/18/91/1125331891.db2.gz FKIBUNUCSDWXIK-ZMMAXQRCSA-N 2 1 288.479 3.921 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C)CCC1 ZINC000398031707 1125332601 /nfs/dbraw/zinc/33/26/01/1125332601.db2.gz NOYGEFFETATOLV-AEFFLSMTSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C)CCC1 ZINC000398031707 1125332604 /nfs/dbraw/zinc/33/26/04/1125332604.db2.gz NOYGEFFETATOLV-AEFFLSMTSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000398031871 1125333191 /nfs/dbraw/zinc/33/31/91/1125333191.db2.gz NSQXROVRPJHERK-MTEHYEEQSA-N 2 1 298.474 3.675 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000398031871 1125333194 /nfs/dbraw/zinc/33/31/94/1125333194.db2.gz NSQXROVRPJHERK-MTEHYEEQSA-N 2 1 298.474 3.675 20 0 CHADMP CC[C@@H]1C[N@H+]([C@@H](C)c2ccc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000122342576 1125349383 /nfs/dbraw/zinc/34/93/83/1125349383.db2.gz SGFIATYFLGOKKH-KHYOSLBOSA-N 2 1 282.431 3.960 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)[C@H](C)Cc1ccc(Cl)cc1 ZINC001168190730 1125371063 /nfs/dbraw/zinc/37/10/63/1125371063.db2.gz CTKPPPLOGNEJOQ-OAHLLOKOSA-N 2 1 296.886 3.935 20 0 CHADMP C/C=C\C[C@@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000626164224 1125385381 /nfs/dbraw/zinc/38/53/81/1125385381.db2.gz ZDRIOEACSMRDBR-CWIOURORSA-N 2 1 275.440 3.650 20 0 CHADMP C/C=C\C[C@@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000626164224 1125385384 /nfs/dbraw/zinc/38/53/84/1125385384.db2.gz ZDRIOEACSMRDBR-CWIOURORSA-N 2 1 275.440 3.650 20 0 CHADMP C=C/C=C/CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000883259996 1125387305 /nfs/dbraw/zinc/38/73/05/1125387305.db2.gz GYABKAUINVSUOZ-GNAXCBTBSA-N 2 1 296.458 3.906 20 0 CHADMP C=C/C=C/CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000883259996 1125387308 /nfs/dbraw/zinc/38/73/08/1125387308.db2.gz GYABKAUINVSUOZ-GNAXCBTBSA-N 2 1 296.458 3.906 20 0 CHADMP Cc1cccc(CC[C@@H](C)[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000040623595 1125388924 /nfs/dbraw/zinc/38/89/24/1125388924.db2.gz UJQWKOAPZJAMAY-IEBWSBKVSA-N 2 1 288.479 3.636 20 0 CHADMP Cc1ccc(C2CC([NH2+]C[C@H]3CC[N@H+](C(C)C)C3)C2)cc1 ZINC000040622721 1125389074 /nfs/dbraw/zinc/38/90/74/1125389074.db2.gz KVRJMOIGGGVMSM-IPJUCJBFSA-N 2 1 286.463 3.561 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2cccc3ccccc32)C1 ZINC000040592192 1125389369 /nfs/dbraw/zinc/38/93/69/1125389369.db2.gz ZZFPDOUWXUFXDS-JKSUJKDBSA-N 2 1 282.431 3.832 20 0 CHADMP Cc1cc(C)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)c1 ZINC000532538402 1125409881 /nfs/dbraw/zinc/40/98/81/1125409881.db2.gz YRGWQLKGTCHGAJ-PKOBYXMFSA-N 2 1 286.463 3.528 20 0 CHADMP Cc1cc(C)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(C)c1 ZINC000532538402 1125409882 /nfs/dbraw/zinc/40/98/82/1125409882.db2.gz YRGWQLKGTCHGAJ-PKOBYXMFSA-N 2 1 286.463 3.528 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(C)c1 ZINC000532538402 1125409885 /nfs/dbraw/zinc/40/98/85/1125409885.db2.gz YRGWQLKGTCHGAJ-PKOBYXMFSA-N 2 1 286.463 3.528 20 0 CHADMP CC1CCC([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC1 ZINC001168217008 1125417030 /nfs/dbraw/zinc/41/70/30/1125417030.db2.gz IBIXMQMBDNVVIE-LXPRWKDFSA-N 2 1 278.484 3.906 20 0 CHADMP CC1CCC([N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001168221726 1125418276 /nfs/dbraw/zinc/41/82/76/1125418276.db2.gz NFMNDVOAMLCCEW-FOIPXRHGSA-N 2 1 278.484 3.904 20 0 CHADMP CC1CCC([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)CC1 ZINC001168221726 1125418278 /nfs/dbraw/zinc/41/82/78/1125418278.db2.gz NFMNDVOAMLCCEW-FOIPXRHGSA-N 2 1 278.484 3.904 20 0 CHADMP CC1CCC([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)CC1 ZINC001168221726 1125418280 /nfs/dbraw/zinc/41/82/80/1125418280.db2.gz NFMNDVOAMLCCEW-FOIPXRHGSA-N 2 1 278.484 3.904 20 0 CHADMP CCc1oc2ccccc2c1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000035017839 1125422508 /nfs/dbraw/zinc/42/25/08/1125422508.db2.gz FXXLUMMBSGZTLC-UHFFFAOYSA-N 2 1 288.435 3.673 20 0 CHADMP C[NH+](C/C=C/C[N@H+](C)CC1CCCC1)CC1CCCC1 ZINC000621627472 1129181070 /nfs/dbraw/zinc/18/10/70/1129181070.db2.gz CXWXSNQALXUYNE-BQYQJAHWSA-N 2 1 278.484 3.787 20 0 CHADMP CC1CC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000621772116 1129194103 /nfs/dbraw/zinc/19/41/03/1129194103.db2.gz YSFAXZWNHXVZPW-JGJLBUBWSA-N 2 1 286.463 3.533 20 0 CHADMP CC1CC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000621772116 1129194104 /nfs/dbraw/zinc/19/41/04/1129194104.db2.gz YSFAXZWNHXVZPW-JGJLBUBWSA-N 2 1 286.463 3.533 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000164629879 1129209792 /nfs/dbraw/zinc/20/97/92/1129209792.db2.gz VPURAMYAAUPNPH-IRXDYDNUSA-N 2 1 277.456 3.776 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000295967606 1129221142 /nfs/dbraw/zinc/22/11/42/1129221142.db2.gz NNYMIAUPKPIWCD-FUDCBSFHSA-N 2 1 278.465 3.586 20 0 CHADMP CCCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638321085 1129253750 /nfs/dbraw/zinc/25/37/50/1129253750.db2.gz UZDXZGOSFBIMPQ-SJLPKXTDSA-N 2 1 272.436 3.744 20 0 CHADMP CCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638321085 1129253753 /nfs/dbraw/zinc/25/37/53/1129253753.db2.gz UZDXZGOSFBIMPQ-SJLPKXTDSA-N 2 1 272.436 3.744 20 0 CHADMP CC1=C(C)C[C@H]([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000638377132 1129256356 /nfs/dbraw/zinc/25/63/56/1129256356.db2.gz NOWUSSCJNVKLQT-MHORFTMASA-N 2 1 276.468 3.728 20 0 CHADMP CC1=C(C)C[C@H]([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000638706570 1129266821 /nfs/dbraw/zinc/26/68/21/1129266821.db2.gz GOPZNUWZGRGCRT-YYIAUSFCSA-N 2 1 264.457 3.584 20 0 CHADMP CC1=C(C)C[C@H]([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000638706570 1129266823 /nfs/dbraw/zinc/26/68/23/1129266823.db2.gz GOPZNUWZGRGCRT-YYIAUSFCSA-N 2 1 264.457 3.584 20 0 CHADMP C[C@@H](CC[NH2+][C@@H](C)[C@H]1CC1(F)F)[N@@H+](C)Cc1ccccc1 ZINC000638726148 1129267309 /nfs/dbraw/zinc/26/73/09/1129267309.db2.gz KDMOZSJYRTVUKX-OFQRWUPVSA-N 2 1 296.405 3.530 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000639169107 1129288272 /nfs/dbraw/zinc/28/82/72/1129288272.db2.gz CFNQXOHVZQGVRM-QXAKKESOSA-N 2 1 286.463 3.500 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000639225129 1129293928 /nfs/dbraw/zinc/29/39/28/1129293928.db2.gz WUZONRAEJOFUHV-DKSSEZFCSA-N 2 1 284.447 3.743 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000639225129 1129293930 /nfs/dbraw/zinc/29/39/30/1129293930.db2.gz WUZONRAEJOFUHV-DKSSEZFCSA-N 2 1 284.447 3.743 20 0 CHADMP CC1=C(C)C[C@H]([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000639251498 1129296799 /nfs/dbraw/zinc/29/67/99/1129296799.db2.gz YUPCLYVDHDWZED-VUCRHFMTSA-N 2 1 276.468 3.726 20 0 CHADMP CC[N@@H+](CCC[NH2+][C@H](C)[C@@H]1CC1(F)F)C1CCCCC1 ZINC000639289590 1129300177 /nfs/dbraw/zinc/30/01/77/1129300177.db2.gz BVKBSIDELQSUTG-HIFRSBDPSA-N 2 1 288.426 3.664 20 0 CHADMP CCC1([NH+](C)C)CC[NH+](CCSc2ccccc2)CC1 ZINC000640017380 1129345410 /nfs/dbraw/zinc/34/54/10/1129345410.db2.gz FUJSKYIGLVGFGV-UHFFFAOYSA-N 2 1 292.492 3.585 20 0 CHADMP CCCCC[C@H](CC)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001258433945 1129348369 /nfs/dbraw/zinc/34/83/69/1129348369.db2.gz CUVCRHKSNWSCNW-LUKYLMHMSA-N 2 1 266.473 3.950 20 0 CHADMP CC[C@H](CC(F)F)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534653 1129361300 /nfs/dbraw/zinc/36/13/00/1129361300.db2.gz RDILBWYHXDGTHR-OAHLLOKOSA-N 2 1 290.442 3.866 20 0 CHADMP CC(C)=CCC[C@H](C)CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000642630487 1129422050 /nfs/dbraw/zinc/42/20/50/1129422050.db2.gz GQWQDVALSWPYDE-OKZBNKHCSA-N 2 1 278.484 3.975 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643066102 1129427773 /nfs/dbraw/zinc/42/77/73/1129427773.db2.gz KFNCDKNYBDIHIC-IDHHARJASA-N 2 1 280.415 3.585 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643066102 1129427777 /nfs/dbraw/zinc/42/77/77/1129427777.db2.gz KFNCDKNYBDIHIC-IDHHARJASA-N 2 1 280.415 3.585 20 0 CHADMP CCC[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000643528910 1129444456 /nfs/dbraw/zinc/44/44/56/1129444456.db2.gz QUBVXDZCIJBUKA-RNCFNFMXSA-N 2 1 275.223 3.771 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@@H+]([C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000796042548 1129465175 /nfs/dbraw/zinc/46/51/75/1129465175.db2.gz VQFKVQVCAMXYAY-DOTOQJQBSA-N 2 1 292.854 3.743 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@H+]([C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000796042548 1129465176 /nfs/dbraw/zinc/46/51/76/1129465176.db2.gz VQFKVQVCAMXYAY-DOTOQJQBSA-N 2 1 292.854 3.743 20 0 CHADMP CCCCC[C@H](CCC)[NH2+]C1CC[NH+](CC)CC1 ZINC001258662267 1129470749 /nfs/dbraw/zinc/47/07/49/1129470749.db2.gz OHXUWJFETQMBMY-HNNXBMFYSA-N 2 1 254.462 3.809 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(C)(C)c2ccccc2)C1 ZINC000180524116 1129487420 /nfs/dbraw/zinc/48/74/20/1129487420.db2.gz SQQYUUSPFWKDPT-QGZVFWFLSA-N 2 1 288.479 3.628 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC(C)(C)c2ccccc2)C1 ZINC000180524116 1129487421 /nfs/dbraw/zinc/48/74/21/1129487421.db2.gz SQQYUUSPFWKDPT-QGZVFWFLSA-N 2 1 288.479 3.628 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(C)(C)c2ccccc2)C1 ZINC000180524116 1129487422 /nfs/dbraw/zinc/48/74/22/1129487422.db2.gz SQQYUUSPFWKDPT-QGZVFWFLSA-N 2 1 288.479 3.628 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)CC(C)(C)C1 ZINC001258686934 1129500799 /nfs/dbraw/zinc/50/07/99/1129500799.db2.gz DQSONEXABUCYJU-WCVJEAGWSA-N 2 1 266.473 3.664 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000646138315 1129526453 /nfs/dbraw/zinc/52/64/53/1129526453.db2.gz BUHBSHDFKKZCEJ-QGZVFWFLSA-N 2 1 275.440 3.626 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000646138315 1129526456 /nfs/dbraw/zinc/52/64/56/1129526456.db2.gz BUHBSHDFKKZCEJ-QGZVFWFLSA-N 2 1 275.440 3.626 20 0 CHADMP CC[N@@H+](C)C1CC[NH+]([C@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC001258705721 1129537306 /nfs/dbraw/zinc/53/73/06/1129537306.db2.gz YIIKRFXBEBCQEB-HOCLYGCPSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647171304 1129553377 /nfs/dbraw/zinc/55/33/77/1129553377.db2.gz FJJNCJQTMFNMKC-AWEZNQCLSA-N 2 1 288.426 3.666 20 0 CHADMP CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647166409 1129553639 /nfs/dbraw/zinc/55/36/39/1129553639.db2.gz LUKIUCBFQDYJMI-AEFFLSMTSA-N 2 1 286.463 3.962 20 0 CHADMP CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647166409 1129553642 /nfs/dbraw/zinc/55/36/42/1129553642.db2.gz LUKIUCBFQDYJMI-AEFFLSMTSA-N 2 1 286.463 3.962 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000647256852 1129562065 /nfs/dbraw/zinc/56/20/65/1129562065.db2.gz JGMBIPADCVVIQZ-YHUYVZNPSA-N 2 1 298.474 3.818 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000647256852 1129562069 /nfs/dbraw/zinc/56/20/69/1129562069.db2.gz JGMBIPADCVVIQZ-YHUYVZNPSA-N 2 1 298.474 3.818 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000647356282 1129574523 /nfs/dbraw/zinc/57/45/23/1129574523.db2.gz JRAUAIIRVCILFJ-RUGGUXRKSA-N 2 1 298.474 3.675 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000647356282 1129574524 /nfs/dbraw/zinc/57/45/24/1129574524.db2.gz JRAUAIIRVCILFJ-RUGGUXRKSA-N 2 1 298.474 3.675 20 0 CHADMP CC[C@@H]1C[N@H+](Cc2c(Cl)oc3ccccc32)CC[C@@H]1[NH3+] ZINC000647498842 1129580066 /nfs/dbraw/zinc/58/00/66/1129580066.db2.gz RWDSETYMBYYAEV-RISCZKNCSA-N 2 1 292.810 3.645 20 0 CHADMP CC[C@@H]1C[N@@H+](Cc2c(Cl)oc3ccccc32)CC[C@@H]1[NH3+] ZINC000647498842 1129580070 /nfs/dbraw/zinc/58/00/70/1129580070.db2.gz RWDSETYMBYYAEV-RISCZKNCSA-N 2 1 292.810 3.645 20 0 CHADMP CC(C)C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccccc1 ZINC001246185177 1131383280 /nfs/dbraw/zinc/38/32/80/1131383280.db2.gz ACLFZSIBGQSYLC-SJORKVTESA-N 2 1 260.425 3.506 20 0 CHADMP c1ccc([C@H]2CCC[N@@H+]2CCCC2CC[NH2+]CC2)cc1 ZINC000647874403 1129587315 /nfs/dbraw/zinc/58/73/15/1129587315.db2.gz ROUFNOHOOWJZLE-GOSISDBHSA-N 2 1 272.436 3.603 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001459628817 1129641448 /nfs/dbraw/zinc/64/14/48/1129641448.db2.gz QDYFUUPFWVVIMG-MRXNPFEDSA-N 2 1 272.436 3.514 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCC3CC3)C2)s1 ZINC000649603639 1129662629 /nfs/dbraw/zinc/66/26/29/1129662629.db2.gz XVQXTCWUNRJOJX-INIZCTEOSA-N 2 1 292.492 3.610 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCC3CC3)C2)s1 ZINC000649603639 1129662632 /nfs/dbraw/zinc/66/26/32/1129662632.db2.gz XVQXTCWUNRJOJX-INIZCTEOSA-N 2 1 292.492 3.610 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCC3CC3)C2)s1 ZINC000649603639 1129662634 /nfs/dbraw/zinc/66/26/34/1129662634.db2.gz XVQXTCWUNRJOJX-INIZCTEOSA-N 2 1 292.492 3.610 20 0 CHADMP CC(C[NH+]1CCC12CCCC2)C[N@H+]1CCC12CCCC2 ZINC000649657584 1129666498 /nfs/dbraw/zinc/66/64/98/1129666498.db2.gz FNGYRWRSNVMRNC-UHFFFAOYSA-N 2 1 276.468 3.660 20 0 CHADMP CC(C)C[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001169049710 1129691864 /nfs/dbraw/zinc/69/18/64/1129691864.db2.gz JMZPWCTYWSZJPF-MOPGFXCFSA-N 2 1 288.479 3.575 20 0 CHADMP CC(C)C[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001169058173 1129693971 /nfs/dbraw/zinc/69/39/71/1129693971.db2.gz DIIPOHIJPVOJEQ-RTBURBONSA-N 2 1 288.479 3.718 20 0 CHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3cccc(Cl)c3)CC1)C2 ZINC001169098417 1129696362 /nfs/dbraw/zinc/69/63/62/1129696362.db2.gz HVDMBKLLBFSTBZ-MUJYYYPQSA-N 2 1 290.838 3.544 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3cccc(Cl)c3)CC1)C2 ZINC001169098417 1129696363 /nfs/dbraw/zinc/69/63/63/1129696363.db2.gz HVDMBKLLBFSTBZ-MUJYYYPQSA-N 2 1 290.838 3.544 20 0 CHADMP CCC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC001169100532 1129697591 /nfs/dbraw/zinc/69/75/91/1129697591.db2.gz KPDGWSJRMQBDSE-ZJPYXAASSA-N 2 1 290.426 3.882 20 0 CHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)C2 ZINC001169092134 1129700153 /nfs/dbraw/zinc/70/01/53/1129700153.db2.gz YFCAZPAIZJDWAN-CLLJXQQHSA-N 2 1 299.245 3.708 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)C2 ZINC001169092134 1129700156 /nfs/dbraw/zinc/70/01/56/1129700156.db2.gz YFCAZPAIZJDWAN-CLLJXQQHSA-N 2 1 299.245 3.708 20 0 CHADMP CCCC[C@@H](CCC)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001258766335 1129707124 /nfs/dbraw/zinc/70/71/24/1129707124.db2.gz JKIFWPFEGUDLGV-MRXNPFEDSA-N 2 1 266.473 3.763 20 0 CHADMP CC[N@H+](Cc1cccc(Cl)c1)C1CC[NH+](CC)CC1 ZINC001169261854 1129711461 /nfs/dbraw/zinc/71/14/61/1129711461.db2.gz OTICFALZQUKVAQ-UHFFFAOYSA-N 2 1 280.843 3.646 20 0 CHADMP CC[N@@H+](Cc1cccc(Cl)c1)C1CC[NH+](CC)CC1 ZINC001169261854 1129711464 /nfs/dbraw/zinc/71/14/64/1129711464.db2.gz OTICFALZQUKVAQ-UHFFFAOYSA-N 2 1 280.843 3.646 20 0 CHADMP CCC[NH+]1CCC([NH+]2CCC3(CCCC3)CC2)CC1 ZINC001258772603 1129713605 /nfs/dbraw/zinc/71/36/05/1129713605.db2.gz URUFKIHTMXPYKK-UHFFFAOYSA-N 2 1 264.457 3.517 20 0 CHADMP CCc1nc(C)c([C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C)s1 ZINC000652222806 1129760744 /nfs/dbraw/zinc/76/07/44/1129760744.db2.gz YMOWOAFNYVICAH-CYBMUJFWSA-N 2 1 297.512 3.642 20 0 CHADMP CCc1nc(C)c([C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)s1 ZINC000652222806 1129760746 /nfs/dbraw/zinc/76/07/46/1129760746.db2.gz YMOWOAFNYVICAH-CYBMUJFWSA-N 2 1 297.512 3.642 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(C)(C)C2CC2)C[C@H]1C ZINC000653564136 1129785079 /nfs/dbraw/zinc/78/50/79/1129785079.db2.gz RBDCBEQDAMYGPM-GDBMZVCRSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)C1CCC(F)(F)CC1 ZINC000653868854 1129798872 /nfs/dbraw/zinc/79/88/72/1129798872.db2.gz KZOILJZDGZWCRT-HIFRSBDPSA-N 2 1 288.426 3.664 20 0 CHADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001258824225 1129827039 /nfs/dbraw/zinc/82/70/39/1129827039.db2.gz RVYBTNNZQCCPHT-NVXWUHKLSA-N 2 1 266.473 3.617 20 0 CHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cccc(F)c2)cc1 ZINC000768160035 1129838134 /nfs/dbraw/zinc/83/81/34/1129838134.db2.gz LOSVFWGCYPGVSY-UHFFFAOYSA-N 2 1 286.394 3.519 20 0 CHADMP Cc1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)s1 ZINC000769316642 1129902012 /nfs/dbraw/zinc/90/20/12/1129902012.db2.gz MTCZJDJCYFAJPN-UHFFFAOYSA-N 2 1 288.460 3.750 20 0 CHADMP CCCC[C@@H](CC(C)C)[NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F ZINC001246221870 1131409925 /nfs/dbraw/zinc/40/99/25/1131409925.db2.gz OVAKQOFQPBOLIP-LSDHHAIUSA-N 2 1 290.442 3.816 20 0 CHADMP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(-c2cccs2)cc1 ZINC000902415472 1130008403 /nfs/dbraw/zinc/00/84/03/1130008403.db2.gz OZRDIRSTQLRROL-LBPRGKRZSA-N 2 1 272.417 3.557 20 0 CHADMP COc1ccccc1-c1ccc([C@@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902416815 1130009187 /nfs/dbraw/zinc/00/91/87/1130009187.db2.gz OOMISPITUUXDPU-CQSZACIVSA-N 2 1 296.414 3.504 20 0 CHADMP CCOC(=[NH2+])c1ccc(-c2ccccc2C[NH+](C)C)cc1 ZINC001239682824 1130053119 /nfs/dbraw/zinc/05/31/19/1130053119.db2.gz DLVLHQXAGFBCGM-UHFFFAOYSA-N 2 1 282.387 3.777 20 0 CHADMP Cc1[nH+]c(-c2ccccc2C[NH+](C)C)cc2[nH]ccc21 ZINC001239683752 1130053506 /nfs/dbraw/zinc/05/35/06/1130053506.db2.gz VVIKPQIOKCKPBJ-UHFFFAOYSA-N 2 1 265.360 3.600 20 0 CHADMP CC(C)CC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903056416 1130107109 /nfs/dbraw/zinc/10/71/09/1130107109.db2.gz UJYRTIXTILFHRB-ZBSSRIJBSA-N 2 1 264.457 3.559 20 0 CHADMP Cc1cccc([C@@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903099339 1130111485 /nfs/dbraw/zinc/11/14/85/1130111485.db2.gz FGBQRAYMOUTNOL-SHFXZJCHSA-N 2 1 298.474 3.846 20 0 CHADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1C[C@H]1C1CCCCC1)C2 ZINC000903122447 1130116438 /nfs/dbraw/zinc/11/64/38/1130116438.db2.gz YZHMNQKCYBFKML-WLFXSESQSA-N 2 1 288.479 3.703 20 0 CHADMP FC1(F)CCCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903177100 1130125069 /nfs/dbraw/zinc/12/50/69/1130125069.db2.gz HNFYBJHJGUQDAU-WPXLMEDKSA-N 2 1 298.421 3.559 20 0 CHADMP C1=CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCC1 ZINC000903344544 1130163680 /nfs/dbraw/zinc/16/36/80/1130163680.db2.gz HQGOHBATSYVVCW-WELJNPPOSA-N 2 1 288.479 3.870 20 0 CHADMP CC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H](C)c1cc2ccccc2o1 ZINC000903432606 1130176275 /nfs/dbraw/zinc/17/62/75/1130176275.db2.gz GNFVCDIUPXFRMX-LZWOXQAQSA-N 2 1 286.419 3.943 20 0 CHADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000903431391 1130177019 /nfs/dbraw/zinc/17/70/19/1130177019.db2.gz MCLGFLIRAGHYAJ-APHBMKBZSA-N 2 1 278.827 3.604 20 0 CHADMP Clc1cccc2c1C[N@@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903830334 1130204299 /nfs/dbraw/zinc/20/42/99/1130204299.db2.gz ZIADLRADWMSYHW-LQDVMPOASA-N 2 1 290.838 3.576 20 0 CHADMP Cc1ccc([C@@H](C)[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903879428 1130207355 /nfs/dbraw/zinc/20/73/55/1130207355.db2.gz AWJNSZCTNDLYFE-DUZACMNTSA-N 2 1 272.436 3.518 20 0 CHADMP c1ccc([C@H]2C[C@@H]([NH2+]C3CCC=CCC3)CC[NH2+]2)cc1 ZINC000903962895 1130212924 /nfs/dbraw/zinc/21/29/24/1130212924.db2.gz LUPIIDFPFKMBDE-ZWKOTPCHSA-N 2 1 270.420 3.568 20 0 CHADMP CC[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CCC[NH+](C)CC1 ZINC001254524495 1130261024 /nfs/dbraw/zinc/26/10/24/1130261024.db2.gz CICFHYNVQDRJJI-SJORKVTESA-N 2 1 260.425 3.554 20 0 CHADMP CC[C@@H](c1ccccc1)[NH+](C)[C@@H]1CCC[N@H+](C)CC1 ZINC001254524495 1130261028 /nfs/dbraw/zinc/26/10/28/1130261028.db2.gz CICFHYNVQDRJJI-SJORKVTESA-N 2 1 260.425 3.554 20 0 CHADMP C[N@@H+]([C@@H]1C=CCCC1)[C@@H]1CCC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000677187204 1130294757 /nfs/dbraw/zinc/29/47/57/1130294757.db2.gz YTOMXBOJYORUOO-GUDVDZBRSA-N 2 1 288.479 3.990 20 0 CHADMP C[N@@H+]([C@@H]1C=CCCC1)[C@H]1CCC[NH+]([C@H]2C=CCCC2)CC1 ZINC000677187206 1130295702 /nfs/dbraw/zinc/29/57/02/1130295702.db2.gz YTOMXBOJYORUOO-QYZOEREBSA-N 2 1 288.479 3.990 20 0 CHADMP C[C@H]1CC[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC001170152675 1130362364 /nfs/dbraw/zinc/36/23/64/1130362364.db2.gz MKRNJMWUMOYOPO-QFBILLFUSA-N 2 1 286.463 3.771 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000678281980 1130390765 /nfs/dbraw/zinc/39/07/65/1130390765.db2.gz KODQYHUTTVEXGA-INIZCTEOSA-N 2 1 286.463 3.728 20 0 CHADMP CCCC1CCC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000678497166 1130422175 /nfs/dbraw/zinc/42/21/75/1130422175.db2.gz KWLXGWOJIWFBFY-OPQOLIRYSA-N 2 1 278.484 3.809 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2c3ccccc3CC[C@H]2C)C1 ZINC000678767554 1130450923 /nfs/dbraw/zinc/45/09/23/1130450923.db2.gz NEEZRWRRDITVCO-MDZRGWNJSA-N 2 1 286.463 3.632 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)[C@@H](C)Cc1ccccc1Cl ZINC001170290353 1130480532 /nfs/dbraw/zinc/48/05/32/1130480532.db2.gz AJXMIEZIUHHGDT-AWEZNQCLSA-N 2 1 282.859 3.545 20 0 CHADMP CCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000679394872 1130527367 /nfs/dbraw/zinc/52/73/67/1130527367.db2.gz PASCJJXZJWOZTR-OWYHZJEWSA-N 2 1 286.463 3.960 20 0 CHADMP CCC[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000679394870 1130527712 /nfs/dbraw/zinc/52/77/12/1130527712.db2.gz PASCJJXZJWOZTR-OQIJWPOYSA-N 2 1 286.463 3.960 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c2ccccc12 ZINC001234995320 1130700801 /nfs/dbraw/zinc/70/08/01/1130700801.db2.gz ZUAAEFUFGRVDGT-HXUWFJFHSA-N 2 1 294.442 3.724 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234995109 1130700981 /nfs/dbraw/zinc/70/09/81/1130700981.db2.gz XNQOZFBDJORYGM-JXCVUKRWSA-N 2 1 278.484 3.979 20 0 CHADMP c1csc(-c2ccccc2C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235031765 1130702500 /nfs/dbraw/zinc/70/25/00/1130702500.db2.gz GUGJXHGOLUIAOO-GOSISDBHSA-N 2 1 298.455 3.601 20 0 CHADMP c1csc(-c2ccc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)cc2)c1 ZINC001235031155 1130702879 /nfs/dbraw/zinc/70/28/79/1130702879.db2.gz CVAILFIENPRZDA-GOSISDBHSA-N 2 1 298.455 3.601 20 0 CHADMP Cc1c(Cl)cccc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235041306 1130705170 /nfs/dbraw/zinc/70/51/70/1130705170.db2.gz YROIDOKRCVYGCT-KRWDZBQOSA-N 2 1 292.854 3.757 20 0 CHADMP Cc1c(Cl)cccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235041306 1130705175 /nfs/dbraw/zinc/70/51/75/1130705175.db2.gz YROIDOKRCVYGCT-KRWDZBQOSA-N 2 1 292.854 3.757 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235039903 1130705278 /nfs/dbraw/zinc/70/52/78/1130705278.db2.gz JDCIVUFJSSVGOC-ZWKOTPCHSA-N 2 1 278.484 3.977 20 0 CHADMP c1cc(C2CC2)ccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235036768 1130705945 /nfs/dbraw/zinc/70/59/45/1130705945.db2.gz BINCAGNMHXADQX-IBGZPJMESA-N 2 1 284.447 3.672 20 0 CHADMP c1ccc(C2CC2)c(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235046503 1130706173 /nfs/dbraw/zinc/70/61/73/1130706173.db2.gz QTZMQCAMBSZZAV-IBGZPJMESA-N 2 1 284.447 3.672 20 0 CHADMP Cc1cc(C)cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235160631 1130716609 /nfs/dbraw/zinc/71/66/09/1130716609.db2.gz YCUZOZLDBHBYLW-IBGZPJMESA-N 2 1 286.463 3.658 20 0 CHADMP c1[nH]c2ccccc2c1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235156451 1130716630 /nfs/dbraw/zinc/71/66/30/1130716630.db2.gz PZVJUSPFZHVRNZ-LJQANCHMSA-N 2 1 297.446 3.522 20 0 CHADMP c1ccc2c(c1)cccc2C[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235173930 1130717095 /nfs/dbraw/zinc/71/70/95/1130717095.db2.gz RTFLKUBARVANJZ-FQEVSTJZSA-N 2 1 294.442 3.948 20 0 CHADMP c1ccc2c(c1)cccc2C[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235173930 1130717099 /nfs/dbraw/zinc/71/70/99/1130717099.db2.gz RTFLKUBARVANJZ-FQEVSTJZSA-N 2 1 294.442 3.948 20 0 CHADMP CC(C)c1ccccc1C[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235181051 1130719619 /nfs/dbraw/zinc/71/96/19/1130719619.db2.gz XJTLSCXQQZNTGH-IBGZPJMESA-N 2 1 286.463 3.918 20 0 CHADMP CC(C)c1ccccc1C[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235181051 1130719624 /nfs/dbraw/zinc/71/96/24/1130719624.db2.gz XJTLSCXQQZNTGH-IBGZPJMESA-N 2 1 286.463 3.918 20 0 CHADMP c1cc(C[N@H+]2CCCCC23CC[NH2+]CC3)c2cccccc1-2 ZINC001235189965 1130720694 /nfs/dbraw/zinc/72/06/94/1130720694.db2.gz BFMMIWPLGPGKQZ-UHFFFAOYSA-N 2 1 294.442 3.900 20 0 CHADMP CCCC[C@@H](CC)C[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001235191681 1130723298 /nfs/dbraw/zinc/72/32/98/1130723298.db2.gz VMUHFCIWMIJJIU-MRXNPFEDSA-N 2 1 266.473 3.811 20 0 CHADMP CCCC[C@@H](CC)C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235191681 1130723304 /nfs/dbraw/zinc/72/33/04/1130723304.db2.gz VMUHFCIWMIJJIU-MRXNPFEDSA-N 2 1 266.473 3.811 20 0 CHADMP CC/C=C\CCCCCC[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235209880 1130723977 /nfs/dbraw/zinc/72/39/77/1130723977.db2.gz SSTOMTHFXDTXQA-DSLCMKTCSA-N 2 1 264.457 3.587 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235209880 1130723981 /nfs/dbraw/zinc/72/39/81/1130723981.db2.gz SSTOMTHFXDTXQA-DSLCMKTCSA-N 2 1 264.457 3.587 20 0 CHADMP CCCCCCc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])s1 ZINC001235253804 1130727064 /nfs/dbraw/zinc/72/70/64/1130727064.db2.gz FCPVNZJIRBMXMX-ZQIUZPCESA-N 2 1 292.492 3.792 20 0 CHADMP Cc1c(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])cccc1-c1ccccc1 ZINC001235257008 1130729426 /nfs/dbraw/zinc/72/94/26/1130729426.db2.gz WGHXRPFBZVZWPN-BJLQDIEVSA-N 2 1 292.426 3.584 20 0 CHADMP CCC[C@@H](C)C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235349212 1130736006 /nfs/dbraw/zinc/73/60/06/1130736006.db2.gz ODBDEYSXFDNWAF-BHIYHBOVSA-N 2 1 286.463 3.502 20 0 CHADMP CC1(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CCCCC1 ZINC001235423461 1130741363 /nfs/dbraw/zinc/74/13/63/1130741363.db2.gz GQZYRXWYWKPXAF-IRXDYDNUSA-N 2 1 278.484 3.668 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC001235425570 1130742422 /nfs/dbraw/zinc/74/24/22/1130742422.db2.gz LXYFJEVWCBEVDZ-HKUYNNGSSA-N 2 1 286.463 3.515 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+](C)CC3CC[NH2+]CC3)cc2)o1 ZINC001235434042 1130743564 /nfs/dbraw/zinc/74/35/64/1130743564.db2.gz YSFCHLLAIHOOQY-UHFFFAOYSA-N 2 1 298.430 3.686 20 0 CHADMP C[N@@H+](CCCCC[NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC001235441390 1130744446 /nfs/dbraw/zinc/74/44/46/1130744446.db2.gz MYOZWKOFSMNOKG-UHFFFAOYSA-N 2 1 275.223 3.554 20 0 CHADMP C[N@@H+](Cc1cccc2c3ccccc3oc21)C1CC[NH2+]CC1 ZINC001235465982 1130747389 /nfs/dbraw/zinc/74/73/89/1130747389.db2.gz MRCLFIYHIVQEBU-UHFFFAOYSA-N 2 1 294.398 3.770 20 0 CHADMP C[C@H](C1CC1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000782189902 1130759372 /nfs/dbraw/zinc/75/93/72/1130759372.db2.gz JOGMKJQMHAXSCS-NSISKUIASA-N 2 1 298.474 3.771 20 0 CHADMP C[C@H](C1CC1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000782189902 1130759378 /nfs/dbraw/zinc/75/93/78/1130759378.db2.gz JOGMKJQMHAXSCS-NSISKUIASA-N 2 1 298.474 3.771 20 0 CHADMP C[C@H](C1CC1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000782189902 1130759385 /nfs/dbraw/zinc/75/93/85/1130759385.db2.gz JOGMKJQMHAXSCS-NSISKUIASA-N 2 1 298.474 3.771 20 0 CHADMP c1ccc([C@@H]2CCC[N@H+](Cc3ccc4c(c3)C[NH2+]C4)C2)cc1 ZINC001235663368 1130763359 /nfs/dbraw/zinc/76/33/59/1130763359.db2.gz GYJOOGKVAIRZDM-LJQANCHMSA-N 2 1 292.426 3.669 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC001235676232 1130766488 /nfs/dbraw/zinc/76/64/88/1130766488.db2.gz PNDNSSIFNSVQQD-INIZCTEOSA-N 2 1 274.452 3.545 20 0 CHADMP [NH3+]CCCCC[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001235674076 1130766677 /nfs/dbraw/zinc/76/66/77/1130766677.db2.gz LFYYSKTXXKVJPU-OAHLLOKOSA-N 2 1 266.816 3.606 20 0 CHADMP Cc1ccc([C@H]2CCC[N@@H+]2C[C@H]([NH3+])Cc2ccccc2)cc1 ZINC001235679120 1130767222 /nfs/dbraw/zinc/76/72/22/1130767222.db2.gz OUSOWEFMZJGMAC-WOJBJXKFSA-N 2 1 294.442 3.702 20 0 CHADMP Cc1ccc([C@H]2CCC[N@H+]2C[C@H]([NH3+])Cc2ccccc2)cc1 ZINC001235679120 1130767228 /nfs/dbraw/zinc/76/72/28/1130767228.db2.gz OUSOWEFMZJGMAC-WOJBJXKFSA-N 2 1 294.442 3.702 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@H+]2CC2(C)CC[NH2+]CC2)cc1 ZINC001235680042 1130768981 /nfs/dbraw/zinc/76/89/81/1130768981.db2.gz QWGAIZSZEVXTGR-KRWDZBQOSA-N 2 1 272.436 3.522 20 0 CHADMP Clc1ccccc1[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001235694075 1130769885 /nfs/dbraw/zinc/76/98/85/1130769885.db2.gz LBMCECMSGAJSEB-RHSMWYFYSA-N 2 1 292.854 3.867 20 0 CHADMP CC1(C[N@H+]2CCC[C@H]2c2ccccc2Cl)CC[NH2+]CC1 ZINC001235693513 1130770531 /nfs/dbraw/zinc/77/05/31/1130770531.db2.gz BOHRBZIZPHGXHY-INIZCTEOSA-N 2 1 292.854 3.867 20 0 CHADMP [NH3+]Cc1cccc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)c1 ZINC001235713556 1130772230 /nfs/dbraw/zinc/77/22/30/1130772230.db2.gz CUMPWDVCYPIXQB-SFHVURJKSA-N 2 1 284.378 3.622 20 0 CHADMP COc1cccc([C@H]2CCCC[N@H+]2CCCCCC[NH3+])c1 ZINC001235726152 1130773046 /nfs/dbraw/zinc/77/30/46/1130773046.db2.gz NGUOPORJNFUIDV-GOSISDBHSA-N 2 1 290.451 3.741 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC001235812686 1130782292 /nfs/dbraw/zinc/78/22/92/1130782292.db2.gz ZYFLQRHPSDWVFB-WCXIOVBPSA-N 2 1 264.457 3.713 20 0 CHADMP Clc1ccccc1[C@H]1CC[N@@H+](CC[C@H]2CCCC[NH2+]2)C1 ZINC001235824989 1130784110 /nfs/dbraw/zinc/78/41/10/1130784110.db2.gz FASMPQOKJBDXEY-LSDHHAIUSA-N 2 1 292.854 3.662 20 0 CHADMP Clc1ccccc1[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC001235827460 1130785373 /nfs/dbraw/zinc/78/53/73/1130785373.db2.gz LADJKLUDWZNQEB-OAHLLOKOSA-N 2 1 292.854 3.519 20 0 CHADMP Cc1ccc(-c2cccc(C[N@@H+](C)C[C@@H]3CC[NH2+]C3)c2)cc1 ZINC001235842930 1130786277 /nfs/dbraw/zinc/78/62/77/1130786277.db2.gz UHWMFBRHYCSNRH-GOSISDBHSA-N 2 1 294.442 3.703 20 0 CHADMP Cc1c(C)c(C)c(C[N@H+]2C[C@@H]([NH3+])CC[C@H]2C)c(C)c1C ZINC001235905054 1130801945 /nfs/dbraw/zinc/80/19/45/1130801945.db2.gz KPAJBFSCOJQOMK-DIFFPNOSSA-N 2 1 274.452 3.540 20 0 CHADMP Cc1c(C)c(C)c(C[N@@H+]2C[C@@H]([NH3+])CC[C@H]2C)c(C)c1C ZINC001235905054 1130801950 /nfs/dbraw/zinc/80/19/50/1130801950.db2.gz KPAJBFSCOJQOMK-DIFFPNOSSA-N 2 1 274.452 3.540 20 0 CHADMP C[C@H]1CC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000783221756 1130802945 /nfs/dbraw/zinc/80/29/45/1130802945.db2.gz HQGRMELHEZECKZ-JTDSTZFVSA-N 2 1 286.463 3.807 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+]1C[C@H]([NH3+])CC[C@H]1C ZINC001235907720 1130803480 /nfs/dbraw/zinc/80/34/80/1130803480.db2.gz SRQNAMQGILIHSO-DGCLKSJQSA-N 2 1 274.433 3.521 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+]1C[C@H]([NH3+])CC[C@H]1C ZINC001235907720 1130803486 /nfs/dbraw/zinc/80/34/86/1130803486.db2.gz SRQNAMQGILIHSO-DGCLKSJQSA-N 2 1 274.433 3.521 20 0 CHADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1cccc(-c2ccsc2)c1 ZINC001235925719 1130806771 /nfs/dbraw/zinc/80/67/71/1130806771.db2.gz YFVMBHPSBAGEJX-KRWDZBQOSA-N 2 1 286.444 3.728 20 0 CHADMP Clc1ccc2c(c1)CC[N@@H+](Cc1ccc3c(c1)C[NH2+]C3)C2 ZINC001235940727 1130811609 /nfs/dbraw/zinc/81/16/09/1130811609.db2.gz YPIDQXDIOAUCMU-UHFFFAOYSA-N 2 1 298.817 3.502 20 0 CHADMP Clc1ccc2c(c1)CC[N@H+](Cc1ccc3c(c1)C[NH2+]C3)C2 ZINC001235940727 1130811613 /nfs/dbraw/zinc/81/16/13/1130811613.db2.gz YPIDQXDIOAUCMU-UHFFFAOYSA-N 2 1 298.817 3.502 20 0 CHADMP CC(C)[N@H+](CC[NH3+])Cc1cccc(-c2ccc(F)cc2)c1 ZINC001235948041 1130812018 /nfs/dbraw/zinc/81/20/18/1130812018.db2.gz QRPCIKVYPSKDKY-UHFFFAOYSA-N 2 1 286.394 3.662 20 0 CHADMP CC(C)[N@@H+](CC[NH3+])Cc1cccc(-c2ccc(F)cc2)c1 ZINC001235948041 1130812019 /nfs/dbraw/zinc/81/20/19/1130812019.db2.gz QRPCIKVYPSKDKY-UHFFFAOYSA-N 2 1 286.394 3.662 20 0 CHADMP Clc1cccc([C@H]2CC[N@H+](CC[C@@H]3CCCC[NH2+]3)C2)c1 ZINC001235949733 1130815672 /nfs/dbraw/zinc/81/56/72/1130815672.db2.gz GULXIZPKMFKEJU-RDJZCZTQSA-N 2 1 292.854 3.662 20 0 CHADMP Clc1cccc([C@H]2CC[N@@H+](CC[C@@H]3CCCC[NH2+]3)C2)c1 ZINC001235949733 1130815676 /nfs/dbraw/zinc/81/56/76/1130815676.db2.gz GULXIZPKMFKEJU-RDJZCZTQSA-N 2 1 292.854 3.662 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC001235960669 1130818642 /nfs/dbraw/zinc/81/86/42/1130818642.db2.gz WTYMWAJISIBTCF-DLBZAZTESA-N 2 1 260.425 3.602 20 0 CHADMP c1ccc([C@@H]2CCC[N@H+](CC[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235960632 1130819454 /nfs/dbraw/zinc/81/94/54/1130819454.db2.gz VJJGNEOBGAJUKD-RTBURBONSA-N 2 1 286.463 3.788 20 0 CHADMP CC(C)(C)CC[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235975175 1130822468 /nfs/dbraw/zinc/82/24/68/1130822468.db2.gz YLDGVWLPBMSQSP-UHFFFAOYSA-N 2 1 286.463 3.560 20 0 CHADMP c1cc2c(cc1C[N@H+]1CCC[C@@H]1C1CCCCC1)C[NH2+]CC2 ZINC001236043542 1130836152 /nfs/dbraw/zinc/83/61/52/1130836152.db2.gz WXIYLXWQHHSLLZ-HXUWFJFHSA-N 2 1 298.474 3.877 20 0 CHADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001236046301 1130837444 /nfs/dbraw/zinc/83/74/44/1130837444.db2.gz FTORODIOWAPEJC-AUUYWEPGSA-N 2 1 298.405 3.662 20 0 CHADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001236046301 1130837450 /nfs/dbraw/zinc/83/74/50/1130837450.db2.gz FTORODIOWAPEJC-AUUYWEPGSA-N 2 1 298.405 3.662 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H](C)C[C@H]([NH3+])C3)cc2)cc1 ZINC001236051332 1130840019 /nfs/dbraw/zinc/84/00/19/1130840019.db2.gz VZUKHFNAKYPSGI-UZLBHIALSA-N 2 1 294.442 3.831 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@H](C)C[C@H]([NH3+])C3)cc2)cc1 ZINC001236051332 1130840021 /nfs/dbraw/zinc/84/00/21/1130840021.db2.gz VZUKHFNAKYPSGI-UZLBHIALSA-N 2 1 294.442 3.831 20 0 CHADMP C[N@@H+](CCCC[NH3+])Cc1ccccc1-c1ccc(F)cc1 ZINC001236141068 1130874284 /nfs/dbraw/zinc/87/42/84/1130874284.db2.gz FPAFPNBTTDCYCW-UHFFFAOYSA-N 2 1 286.394 3.663 20 0 CHADMP C[N@@H+](Cc1cccc(C[NH3+])c1)C(C)(C)Cc1ccccc1 ZINC001236155178 1130876563 /nfs/dbraw/zinc/87/65/63/1130876563.db2.gz HHVNBMVHMRQZGY-UHFFFAOYSA-N 2 1 282.431 3.598 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@H]1c1c[nH]c2ccccc12 ZINC001236190813 1130883807 /nfs/dbraw/zinc/88/38/07/1130883807.db2.gz YHWXPHQEDQYHHZ-SFHVURJKSA-N 2 1 299.462 3.893 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2cc3ccccc3s2)CC1 ZINC001236212078 1130887263 /nfs/dbraw/zinc/88/72/63/1130887263.db2.gz CDKLWGOEUSRLIM-UHFFFAOYSA-N 2 1 288.460 3.864 20 0 CHADMP COc1ccc2cc(C[N@H+](C)[C@H]3CCCC[C@@H]3[NH3+])ccc2c1 ZINC001236210667 1130887680 /nfs/dbraw/zinc/88/76/80/1130887680.db2.gz DWRPIMUWTUXGBT-OALUTQOASA-N 2 1 298.430 3.550 20 0 CHADMP COc1ccc2cc(C[N@@H+](C)[C@H]3CCCC[C@@H]3[NH3+])ccc2c1 ZINC001236210667 1130887686 /nfs/dbraw/zinc/88/76/86/1130887686.db2.gz DWRPIMUWTUXGBT-OALUTQOASA-N 2 1 298.430 3.550 20 0 CHADMP COc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1C(C)C ZINC001236214828 1130890997 /nfs/dbraw/zinc/89/09/97/1130890997.db2.gz FQMMRMFNVXNEFR-IAGOWNOFSA-N 2 1 290.451 3.520 20 0 CHADMP COc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1C(C)C ZINC001236214828 1130891003 /nfs/dbraw/zinc/89/10/03/1130891003.db2.gz FQMMRMFNVXNEFR-IAGOWNOFSA-N 2 1 290.451 3.520 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236218191 1130893792 /nfs/dbraw/zinc/89/37/92/1130893792.db2.gz RNANEDGEKBVAPA-LSDHHAIUSA-N 2 1 288.460 3.911 20 0 CHADMP C[N@@H+](Cc1cccc(C(C)(C)C)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236224805 1130896672 /nfs/dbraw/zinc/89/66/72/1130896672.db2.gz XGKFBVFAOGOKJF-QAQDUYKDSA-N 2 1 274.452 3.686 20 0 CHADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)C[C@@H]21 ZINC001170758854 1130901023 /nfs/dbraw/zinc/90/10/23/1130901023.db2.gz YDCDXMIHMZICCS-TVFCKZIOSA-N 2 1 290.495 3.761 20 0 CHADMP c1ccc(Oc2ccccc2C[NH+]2CCC[NH2+]CCC2)cc1 ZINC001236239646 1130901612 /nfs/dbraw/zinc/90/16/12/1130901612.db2.gz KKEQATCXEZNAFI-UHFFFAOYSA-N 2 1 296.414 3.664 20 0 CHADMP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cccc2c3ccccc3sc21 ZINC001236245976 1130904541 /nfs/dbraw/zinc/90/45/41/1130904541.db2.gz TYINCWODUAZNPP-CQSZACIVSA-N 2 1 296.439 3.978 20 0 CHADMP [NH3+]C[C@H]1CCC[N@H+]1Cc1cccc2c3ccccc3sc21 ZINC001236245976 1130904543 /nfs/dbraw/zinc/90/45/43/1130904543.db2.gz TYINCWODUAZNPP-CQSZACIVSA-N 2 1 296.439 3.978 20 0 CHADMP Cc1c(C[N@@H+]2CCC[C@@H]2C[NH3+])cccc1-c1ccccc1 ZINC001236252396 1130906593 /nfs/dbraw/zinc/90/65/93/1130906593.db2.gz KYFCOEQTDIKATC-GOSISDBHSA-N 2 1 280.415 3.585 20 0 CHADMP Cc1c(C[N@H+]2CCC[C@@H]2C[NH3+])cccc1-c1ccccc1 ZINC001236252396 1130906596 /nfs/dbraw/zinc/90/65/96/1130906596.db2.gz KYFCOEQTDIKATC-GOSISDBHSA-N 2 1 280.415 3.585 20 0 CHADMP [NH3+]CCCCC[N@@H+](Cc1ccccc1)C1CCSCC1 ZINC001236268202 1130910235 /nfs/dbraw/zinc/91/02/35/1130910235.db2.gz BCZVCDIUOJFLON-UHFFFAOYSA-N 2 1 292.492 3.513 20 0 CHADMP CC(C)CCC[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236287401 1130911244 /nfs/dbraw/zinc/91/12/44/1130911244.db2.gz SUSRAPYLMSAYKA-UHFFFAOYSA-N 2 1 274.452 3.677 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)[C@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170768261 1130921184 /nfs/dbraw/zinc/92/11/84/1130921184.db2.gz VYJUQMKGYIUILX-BJWYYQGGSA-N 2 1 278.484 3.617 20 0 CHADMP Cc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cs1 ZINC001236376777 1130923088 /nfs/dbraw/zinc/92/30/88/1130923088.db2.gz VKAKZBDNXOWDSM-HNNXBMFYSA-N 2 1 292.492 3.801 20 0 CHADMP Clc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)o1 ZINC001236375215 1130923404 /nfs/dbraw/zinc/92/34/04/1130923404.db2.gz JLLQSBPSFKYNMA-CYBMUJFWSA-N 2 1 296.842 3.677 20 0 CHADMP Cc1sccc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236376478 1130923666 /nfs/dbraw/zinc/92/36/66/1130923666.db2.gz SMDXKMNKPUIUQC-OAHLLOKOSA-N 2 1 292.492 3.801 20 0 CHADMP CC[N@H+](Cc1c(C)ccc2ccccc21)C[C@H]1CC[NH2+]C1 ZINC001236407724 1130931243 /nfs/dbraw/zinc/93/12/43/1130931243.db2.gz GVUGBBBRWRWCKE-INIZCTEOSA-N 2 1 282.431 3.580 20 0 CHADMP CC[N@H+](Cc1sc2ccccc2c1C)C[C@H]1CC[NH2+]C1 ZINC001236409835 1130931532 /nfs/dbraw/zinc/93/15/32/1130931532.db2.gz XMSIPORPSQHNBV-AWEZNQCLSA-N 2 1 288.460 3.641 20 0 CHADMP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1cccc(-c2ccccc2)c1 ZINC001236419758 1130936294 /nfs/dbraw/zinc/93/62/94/1130936294.db2.gz JYIGJDMMXDADBF-KXBFYZLASA-N 2 1 280.415 3.665 20 0 CHADMP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1cccc(-c2ccccc2)c1 ZINC001236419758 1130936299 /nfs/dbraw/zinc/93/62/99/1130936299.db2.gz JYIGJDMMXDADBF-KXBFYZLASA-N 2 1 280.415 3.665 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CCC[C@@H]([NH3+])[C@@H]3C)cc2)cc1 ZINC001236421405 1130936471 /nfs/dbraw/zinc/93/64/71/1130936471.db2.gz QUXVOQTZIRCCCN-OXJNMPFZSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]([NH3+])[C@@H]3C)cc2)cc1 ZINC001236421405 1130936474 /nfs/dbraw/zinc/93/64/74/1130936474.db2.gz QUXVOQTZIRCCCN-OXJNMPFZSA-N 2 1 294.442 3.974 20 0 CHADMP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001236421140 1130936573 /nfs/dbraw/zinc/93/65/73/1130936573.db2.gz PYGRJNVZVGFDLR-AUUYWEPGSA-N 2 1 298.405 3.804 20 0 CHADMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001236421140 1130936575 /nfs/dbraw/zinc/93/65/75/1130936575.db2.gz PYGRJNVZVGFDLR-AUUYWEPGSA-N 2 1 298.405 3.804 20 0 CHADMP Clc1ccc(C[N@@H+](CC2CCC2)C2CC[NH2+]CC2)cc1 ZINC001236453023 1130945120 /nfs/dbraw/zinc/94/51/20/1130945120.db2.gz NCSOKTDJBQMPFO-UHFFFAOYSA-N 2 1 292.854 3.694 20 0 CHADMP Cc1cc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)cs1 ZINC001236459617 1130946144 /nfs/dbraw/zinc/94/61/44/1130946144.db2.gz WCSWXYIKQJNXBA-UHFFFAOYSA-N 2 1 280.481 3.657 20 0 CHADMP Cc1cc(F)cc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236458046 1130946550 /nfs/dbraw/zinc/94/65/50/1130946550.db2.gz TVGLUGHFDCVHQW-UHFFFAOYSA-N 2 1 292.442 3.734 20 0 CHADMP Cc1cc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)sc1C ZINC001236474708 1130950452 /nfs/dbraw/zinc/95/04/52/1130950452.db2.gz LYIOMULYOIITSZ-OAHLLOKOSA-N 2 1 280.481 3.575 20 0 CHADMP Cc1cc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)sc1C ZINC001236474708 1130950455 /nfs/dbraw/zinc/95/04/55/1130950455.db2.gz LYIOMULYOIITSZ-OAHLLOKOSA-N 2 1 280.481 3.575 20 0 CHADMP CCCCC[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236541439 1130968863 /nfs/dbraw/zinc/96/88/63/1130968863.db2.gz KVBWQNTWROHRRW-WKILWMFISA-N 2 1 252.446 3.549 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCC2)C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001236542640 1130970306 /nfs/dbraw/zinc/97/03/06/1130970306.db2.gz YUNLSQAGURYAQQ-PJVZLEMVSA-N 2 1 288.479 3.571 20 0 CHADMP CC/C=C\CC[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550651 1130972931 /nfs/dbraw/zinc/97/29/31/1130972931.db2.gz LCPRFZRSTUAXEP-QTKFVLMYSA-N 2 1 252.446 3.571 20 0 CHADMP Cc1cc(C)cc(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236552194 1130973376 /nfs/dbraw/zinc/97/33/76/1130973376.db2.gz OKFVSVMLSYNECJ-WGSAOQKQSA-N 2 1 286.463 3.785 20 0 CHADMP Cc1ccc(F)cc1C[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552037 1130973428 /nfs/dbraw/zinc/97/34/28/1130973428.db2.gz FWGDFEAZCLMNII-IYARVYRRSA-N 2 1 290.426 3.616 20 0 CHADMP CCCC[N@@H+](Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554530 1130974327 /nfs/dbraw/zinc/97/43/27/1130974327.db2.gz JOMFWUFVCZASIH-IYARVYRRSA-N 2 1 274.452 3.867 20 0 CHADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(C3CCCCC3)cc2)C1 ZINC001236617390 1130985429 /nfs/dbraw/zinc/98/54/29/1130985429.db2.gz VBBIVTOMQFCLJJ-IBGZPJMESA-N 2 1 286.463 3.905 20 0 CHADMP c1ccc2c(c1)cccc2C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236633687 1130987305 /nfs/dbraw/zinc/98/73/05/1130987305.db2.gz KAPALYAIQKEIIT-UHFFFAOYSA-N 2 1 294.442 3.946 20 0 CHADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000815576589 1131001559 /nfs/dbraw/zinc/00/15/59/1131001559.db2.gz UHMCHBRDCLGUTE-CVEARBPZSA-N 2 1 292.442 3.905 20 0 CHADMP CCC(CC)[N@@H+](CC1CCSCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236783752 1131006616 /nfs/dbraw/zinc/00/66/16/1131006616.db2.gz YOFAQURNWDVZOZ-JCNLHEQBSA-N 2 1 298.540 3.890 20 0 CHADMP CCC[N@H+](Cc1cc2ccccc2s1)C[C@@H]1CC[NH2+]C1 ZINC001236835352 1131019060 /nfs/dbraw/zinc/01/90/60/1131019060.db2.gz LUUSPMCBSIXFNG-CQSZACIVSA-N 2 1 288.460 3.723 20 0 CHADMP CCC[N@@H+](Cc1scc(C)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236835866 1131019782 /nfs/dbraw/zinc/01/97/82/1131019782.db2.gz QDTQSYLXJUEUAO-GFCCVEGCSA-N 2 1 286.872 3.531 20 0 CHADMP CCC[N@H+](Cc1scc(C)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236835866 1131019791 /nfs/dbraw/zinc/01/97/91/1131019791.db2.gz QDTQSYLXJUEUAO-GFCCVEGCSA-N 2 1 286.872 3.531 20 0 CHADMP CCC(CC)[N@@H+](CCC1C[NH2+]C1)[C@H](C)c1ccccc1 ZINC001236858366 1131023446 /nfs/dbraw/zinc/02/34/46/1131023446.db2.gz BMRFSDZEGDDYFM-OAHLLOKOSA-N 2 1 274.452 3.848 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001237055721 1131042267 /nfs/dbraw/zinc/04/22/67/1131042267.db2.gz FHCYFLBRHUPOFM-USXIJHARSA-N 2 1 292.854 3.504 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237058449 1131043016 /nfs/dbraw/zinc/04/30/16/1131043016.db2.gz PZSKLGMVTRGRCP-IBGZPJMESA-N 2 1 282.431 3.709 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237081316 1131046914 /nfs/dbraw/zinc/04/69/14/1131046914.db2.gz KROOIMJXCNAWSN-INIZCTEOSA-N 2 1 280.843 3.518 20 0 CHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC001237080604 1131046939 /nfs/dbraw/zinc/04/69/39/1131046939.db2.gz HAYUJDZPVYBYOC-SFHVURJKSA-N 2 1 284.403 3.507 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)cc1 ZINC001237080152 1131047563 /nfs/dbraw/zinc/04/75/63/1131047563.db2.gz DESLULZCWGPKSQ-IBGZPJMESA-N 2 1 288.479 3.935 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)c1 ZINC001237082771 1131048011 /nfs/dbraw/zinc/04/80/11/1131048011.db2.gz SNSNHNOVPQVWLS-MRXNPFEDSA-N 2 1 280.843 3.518 20 0 CHADMP CC(C)c1ccccc1C[N@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237156111 1131060177 /nfs/dbraw/zinc/06/01/77/1131060177.db2.gz OFMBYBRPQFQPBG-SFHVURJKSA-N 2 1 286.463 3.917 20 0 CHADMP CC(C)c1ccccc1C[N@@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237156111 1131060182 /nfs/dbraw/zinc/06/01/82/1131060182.db2.gz OFMBYBRPQFQPBG-SFHVURJKSA-N 2 1 286.463 3.917 20 0 CHADMP C[C@H](C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000798957081 1131064880 /nfs/dbraw/zinc/06/48/80/1131064880.db2.gz MLCRSCUWXZEEEM-QGZVFWFLSA-N 2 1 286.463 3.598 20 0 CHADMP CC/C=C\CCC[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237274457 1131077638 /nfs/dbraw/zinc/07/76/38/1131077638.db2.gz CVDLZGOYTGERPI-ARJAWSKDSA-N 2 1 298.474 3.870 20 0 CHADMP CCC(CC)C[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001237358677 1131090152 /nfs/dbraw/zinc/09/01/52/1131090152.db2.gz IHVPMFBDCUHBFK-UHFFFAOYSA-N 2 1 272.436 3.517 20 0 CHADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CC(C)(C)Cc3occc32)C1 ZINC001116293567 1131140219 /nfs/dbraw/zinc/14/02/19/1131140219.db2.gz SGOLPDYPYRLKCA-GOEBONIOSA-N 2 1 290.451 3.615 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC(C)(C)Cc3occc32)C1 ZINC001116293567 1131140222 /nfs/dbraw/zinc/14/02/22/1131140222.db2.gz SGOLPDYPYRLKCA-GOEBONIOSA-N 2 1 290.451 3.615 20 0 CHADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3C[C@@H](F)C[C@H]3C)cc21 ZINC001237881437 1131149411 /nfs/dbraw/zinc/14/94/11/1131149411.db2.gz RJNDNCUYXQSFFX-CJNGLKHVSA-N 2 1 288.410 3.620 20 0 CHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@@H](F)C[C@H]3C)cc21 ZINC001237881437 1131149414 /nfs/dbraw/zinc/14/94/14/1131149414.db2.gz RJNDNCUYXQSFFX-CJNGLKHVSA-N 2 1 288.410 3.620 20 0 CHADMP CC(C)Oc1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000817888380 1131185822 /nfs/dbraw/zinc/18/58/22/1131185822.db2.gz KVFCUMPKXGCIRM-RBUKOAKNSA-N 2 1 296.414 3.708 20 0 CHADMP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c3ccccc31)CCC2 ZINC000817921960 1131187973 /nfs/dbraw/zinc/18/79/73/1131187973.db2.gz LUEQQFOWQVZJAY-FVQBIDKESA-N 2 1 299.443 3.563 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccccc2Cl)C1 ZINC001117639459 1131189561 /nfs/dbraw/zinc/18/95/61/1131189561.db2.gz HTGVJGDJBWJOCD-GJZGRUSLSA-N 2 1 294.870 3.591 20 0 CHADMP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)C1CCCC1 ZINC000823677497 1131438668 /nfs/dbraw/zinc/43/86/68/1131438668.db2.gz VHWRWYJGJQJQGM-KRWDZBQOSA-N 2 1 298.434 3.634 20 0 CHADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C)c4ccccc34)C[C@@H]2C1 ZINC001138017986 1131451469 /nfs/dbraw/zinc/45/14/69/1131451469.db2.gz DOVZLDMIWBYUPH-HDICACEKSA-N 2 1 294.442 3.532 20 0 CHADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C)c4ccccc34)C[C@@H]2C1 ZINC001138017986 1131451470 /nfs/dbraw/zinc/45/14/70/1131451470.db2.gz DOVZLDMIWBYUPH-HDICACEKSA-N 2 1 294.442 3.532 20 0 CHADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C)c4ccccc34)C[C@@H]2C1 ZINC001138017986 1131451471 /nfs/dbraw/zinc/45/14/71/1131451471.db2.gz DOVZLDMIWBYUPH-HDICACEKSA-N 2 1 294.442 3.532 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C)c2ccccc12 ZINC001138018412 1131452167 /nfs/dbraw/zinc/45/21/67/1131452167.db2.gz WSWHTQUXDFRTFE-UHFFFAOYSA-N 2 1 284.447 3.922 20 0 CHADMP CC(C)(C)C1CCC([NH2+][C@H]2C[NH2+]CCC2(C)C)CC1 ZINC001246331264 1131469616 /nfs/dbraw/zinc/46/96/16/1131469616.db2.gz NQNCCTJSVAJCON-NRXISQOPSA-N 2 1 266.473 3.569 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)cc1 ZINC001138544797 1131518162 /nfs/dbraw/zinc/51/81/62/1131518162.db2.gz PFQIKNMNZNTNIL-ROUUACIJSA-N 2 1 295.430 3.803 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)cc1 ZINC001138543948 1131519092 /nfs/dbraw/zinc/51/90/92/1131519092.db2.gz AGDNPGVYYDMMKM-MSOLQXFVSA-N 2 1 295.430 3.803 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)cc1 ZINC001138543948 1131519095 /nfs/dbraw/zinc/51/90/95/1131519095.db2.gz AGDNPGVYYDMMKM-MSOLQXFVSA-N 2 1 295.430 3.803 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@H](C)CC2)cc1 ZINC001138544698 1131519227 /nfs/dbraw/zinc/51/92/27/1131519227.db2.gz MYKDCWFZRKLZOW-HNNXBMFYSA-N 2 1 283.419 3.803 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@H](C)CC2)cc1 ZINC001138544698 1131519230 /nfs/dbraw/zinc/51/92/30/1131519230.db2.gz MYKDCWFZRKLZOW-HNNXBMFYSA-N 2 1 283.419 3.803 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC001138547071 1131519291 /nfs/dbraw/zinc/51/92/91/1131519291.db2.gz DPKPYVGFQXNDQZ-CABCVRRESA-N 2 1 283.419 3.801 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC001138547071 1131519295 /nfs/dbraw/zinc/51/92/95/1131519295.db2.gz DPKPYVGFQXNDQZ-CABCVRRESA-N 2 1 283.419 3.801 20 0 CHADMP CC[C@@H]1CC([N@@H+](C)Cc2cccc(C)c2)C[C@@H](CC)[NH2+]1 ZINC001246523483 1131549251 /nfs/dbraw/zinc/54/92/51/1131549251.db2.gz BPWVSLCNHSENOJ-IAGOWNOFSA-N 2 1 274.452 3.736 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246547871 1131594675 /nfs/dbraw/zinc/59/46/75/1131594675.db2.gz CZCLZCVNZBHHCH-HRCADAONSA-N 2 1 254.462 3.795 20 0 CHADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246547867 1131594862 /nfs/dbraw/zinc/59/48/62/1131594862.db2.gz CZCLZCVNZBHHCH-ARFHVFGLSA-N 2 1 254.462 3.795 20 0 CHADMP CCCCC[C@H](CCC)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246550154 1131603792 /nfs/dbraw/zinc/60/37/92/1131603792.db2.gz NXMRMIOQZCNOTE-JKSUJKDBSA-N 2 1 272.452 3.888 20 0 CHADMP CC(C)[C@@H]1C[C@H]([NH+]2CCC3(CCCCC3)CC2)CC[NH2+]1 ZINC001246551666 1131608567 /nfs/dbraw/zinc/60/85/67/1131608567.db2.gz UPHPTOXMYSGJQA-SJORKVTESA-N 2 1 278.484 3.809 20 0 CHADMP CCCCCC[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246569051 1131638493 /nfs/dbraw/zinc/63/84/93/1131638493.db2.gz PMMMFNMAAMQKKN-JYJNAYRXSA-N 2 1 254.462 3.652 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccccc1C1CC1 ZINC001139883258 1131645272 /nfs/dbraw/zinc/64/52/72/1131645272.db2.gz KHDLBRAJLOCKTJ-UHFFFAOYSA-N 2 1 274.452 3.728 20 0 CHADMP CC[C@@H]1C[C@H]([N@H+]2CCCC[C@](C)(F)C2)C[C@H](CC)[NH2+]1 ZINC001246570969 1131646331 /nfs/dbraw/zinc/64/63/31/1131646331.db2.gz CBRDJBVWZSFYEF-JJXSEGSLSA-N 2 1 270.436 3.510 20 0 CHADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)Cc1ccsc1 ZINC001140027878 1131657345 /nfs/dbraw/zinc/65/73/45/1131657345.db2.gz FIHSRZSAEFIYMT-UHFFFAOYSA-N 2 1 297.427 3.874 20 0 CHADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)Cc1ccsc1 ZINC001140027878 1131657348 /nfs/dbraw/zinc/65/73/48/1131657348.db2.gz FIHSRZSAEFIYMT-UHFFFAOYSA-N 2 1 297.427 3.874 20 0 CHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cccc3cc[nH]c32)CC1 ZINC001144716861 1131689574 /nfs/dbraw/zinc/68/95/74/1131689574.db2.gz MKGBREZCSNSOEK-UHFFFAOYSA-N 2 1 299.462 3.720 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000846217624 1131700587 /nfs/dbraw/zinc/70/05/87/1131700587.db2.gz GAONBLFLJUOIPT-MRXNPFEDSA-N 2 1 282.378 3.621 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000846218908 1131700737 /nfs/dbraw/zinc/70/07/37/1131700737.db2.gz YKTZJMJIEQWIMD-INIZCTEOSA-N 2 1 280.843 3.996 20 0 CHADMP Cc1ccc([C@H]2CCC[N@H+]2CCCCCC[NH3+])cc1 ZINC000846218432 1131700884 /nfs/dbraw/zinc/70/08/84/1131700884.db2.gz URUXOOLXNLYUME-QGZVFWFLSA-N 2 1 260.425 3.651 20 0 CHADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])CC[C@H]1c1ccccc1 ZINC000846219087 1131701081 /nfs/dbraw/zinc/70/10/81/1131701081.db2.gz FYUGMLWUAOQQKC-SJLPKXTDSA-N 2 1 274.452 3.631 20 0 CHADMP Cc1ccc([C@@H]2CSCC[N@H+]2CCCCCC[NH3+])cc1 ZINC000846219321 1131701740 /nfs/dbraw/zinc/70/17/40/1131701740.db2.gz OHBSPFXHGGWLKS-KRWDZBQOSA-N 2 1 292.492 3.604 20 0 CHADMP Cc1ccccc1[C@@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000846218371 1131701905 /nfs/dbraw/zinc/70/19/05/1131701905.db2.gz MSVRJGIPHBHXPS-KRWDZBQOSA-N 2 1 260.425 3.651 20 0 CHADMP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCCCCC[NH3+])C1 ZINC000846219572 1131702236 /nfs/dbraw/zinc/70/22/36/1131702236.db2.gz SMYWKDFAZDEHLQ-PBHICJAKSA-N 2 1 278.415 3.728 20 0 CHADMP CCCCCC1CCC([N@H+]2CCC[C@@]3(CC[NH2+]3)C2)CC1 ZINC001246608495 1131716269 /nfs/dbraw/zinc/71/62/69/1131716269.db2.gz HFRPOSKQFFZKOF-DAWZGUTISA-N 2 1 278.484 3.953 20 0 CHADMP CC1(C)CCC[C@H]([N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)C1 ZINC001246633692 1131739302 /nfs/dbraw/zinc/73/93/02/1131739302.db2.gz LSDGUQHQLVLHLS-RDJZCZTQSA-N 2 1 264.457 3.563 20 0 CHADMP CC1(C)CCC[C@H]([N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)C1 ZINC001246633692 1131739307 /nfs/dbraw/zinc/73/93/07/1131739307.db2.gz LSDGUQHQLVLHLS-RDJZCZTQSA-N 2 1 264.457 3.563 20 0 CHADMP CCCCC[C@H](CC)[N@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001246641094 1131761317 /nfs/dbraw/zinc/76/13/17/1131761317.db2.gz VZRQJDNIDJTGDV-LSDHHAIUSA-N 2 1 288.426 3.666 20 0 CHADMP CC(C)CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001246641696 1131766218 /nfs/dbraw/zinc/76/62/18/1131766218.db2.gz XEAHINOTJJFUOK-CABCVRRESA-N 2 1 288.426 3.522 20 0 CHADMP C[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246801024 1131783436 /nfs/dbraw/zinc/78/34/36/1131783436.db2.gz XQHMFVCTZRXVMN-JKSUJKDBSA-N 2 1 294.870 3.939 20 0 CHADMP CCCCC[C@@H](CCC)[N@@H+](C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246905615 1131804588 /nfs/dbraw/zinc/80/45/88/1131804588.db2.gz DGSGEDXGQMKWAX-BZUAXINKSA-N 2 1 254.462 3.937 20 0 CHADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC001171309771 1131825052 /nfs/dbraw/zinc/82/50/52/1131825052.db2.gz ZQLRGECSWCSUNA-JYJNAYRXSA-N 2 1 283.419 3.657 20 0 CHADMP c1cc2ccc(C[NH+]3CCC4(CCC[NH2+]4)CC3)cc2s1 ZINC001228554974 1131909150 /nfs/dbraw/zinc/90/91/50/1131909150.db2.gz BEZRRQAEGKFPEM-UHFFFAOYSA-N 2 1 286.444 3.619 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[NH+]1CCC(c2ccccc2)CC1 ZINC001140801068 1131923904 /nfs/dbraw/zinc/92/39/04/1131923904.db2.gz GJGJTSWFWUTZTA-UHFFFAOYSA-N 2 1 291.398 3.943 20 0 CHADMP c1nc2cc[nH]cc-2c1C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC001140807277 1131928320 /nfs/dbraw/zinc/92/83/20/1131928320.db2.gz SZXRJANTGYZNGR-CXAGYDPISA-N 2 1 269.392 3.718 20 0 CHADMP c1[nH]c2ccncc2c1C[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC001140807277 1131928326 /nfs/dbraw/zinc/92/83/26/1131928326.db2.gz SZXRJANTGYZNGR-CXAGYDPISA-N 2 1 269.392 3.718 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC001140807277 1131928340 /nfs/dbraw/zinc/92/83/40/1131928340.db2.gz SZXRJANTGYZNGR-CXAGYDPISA-N 2 1 269.392 3.718 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC001140807277 1131928345 /nfs/dbraw/zinc/92/83/45/1131928345.db2.gz SZXRJANTGYZNGR-CXAGYDPISA-N 2 1 269.392 3.718 20 0 CHADMP Fc1ccccc1[C@H]1CC[N@@H+](Cc2c[nH]c3ccncc23)C1 ZINC001140807139 1131929703 /nfs/dbraw/zinc/92/97/03/1131929703.db2.gz NOMLJLYNEWYQNH-ZDUSSCGKSA-N 2 1 295.361 3.692 20 0 CHADMP Fc1ccccc1[C@H]1CC[N@H+](Cc2cnc3cc[nH]cc2-3)C1 ZINC001140807139 1131929708 /nfs/dbraw/zinc/92/97/08/1131929708.db2.gz NOMLJLYNEWYQNH-ZDUSSCGKSA-N 2 1 295.361 3.692 20 0 CHADMP Fc1ccccc1[C@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140807139 1131929720 /nfs/dbraw/zinc/92/97/20/1131929720.db2.gz NOMLJLYNEWYQNH-ZDUSSCGKSA-N 2 1 295.361 3.692 20 0 CHADMP Fc1ccccc1[C@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140807139 1131929726 /nfs/dbraw/zinc/92/97/26/1131929726.db2.gz NOMLJLYNEWYQNH-ZDUSSCGKSA-N 2 1 295.361 3.692 20 0 CHADMP C[C@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1ccoc1 ZINC001171624509 1132066735 /nfs/dbraw/zinc/06/67/35/1132066735.db2.gz UPBVXXUTKYFKFE-LBPRGKRZSA-N 2 1 264.413 3.582 20 0 CHADMP Cc1ccc(CC[C@H](C)n2c[nH+]cc2C2CC[NH2+]CC2)cc1 ZINC001171678904 1132075698 /nfs/dbraw/zinc/07/56/98/1132075698.db2.gz IZFMFJYHAOMDQS-INIZCTEOSA-N 2 1 297.446 3.852 20 0 CHADMP CC1(C)C[C@H]([NH2+]CC2CCC2)CC[N@H+]1Cc1ccccc1 ZINC001171964065 1132113161 /nfs/dbraw/zinc/11/31/61/1132113161.db2.gz KFWBMWMLBIHTIR-GOSISDBHSA-N 2 1 286.463 3.819 20 0 CHADMP CC1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171965824 1132113274 /nfs/dbraw/zinc/11/32/74/1132113274.db2.gz RSPSGAHWEZDLGL-IIIMJFFVSA-N 2 1 286.463 3.818 20 0 CHADMP CC1(C)C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171975367 1132117004 /nfs/dbraw/zinc/11/70/04/1132117004.db2.gz CMGCRUDBBZBVKB-QGZVFWFLSA-N 2 1 286.463 3.771 20 0 CHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]C24CC(C2)C4)C3)cc1 ZINC001172061007 1132119501 /nfs/dbraw/zinc/11/95/01/1132119501.db2.gz DTKPXOBFFPZPGT-NNUJQTDSSA-N 2 1 296.458 3.714 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]C24CC(C2)C4)C3)cc1 ZINC001172061007 1132119505 /nfs/dbraw/zinc/11/95/05/1132119505.db2.gz DTKPXOBFFPZPGT-NNUJQTDSSA-N 2 1 296.458 3.714 20 0 CHADMP CC1(C)C[C@@H]([NH+]2CC3CC(C3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171987639 1132119611 /nfs/dbraw/zinc/11/96/11/1132119611.db2.gz YSEVOQLBQANISI-ACBHZAAOSA-N 2 1 298.474 3.771 20 0 CHADMP CC1(C)C[C@@H]([NH+]2CC3CC(C3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171987639 1132119619 /nfs/dbraw/zinc/11/96/19/1132119619.db2.gz YSEVOQLBQANISI-ACBHZAAOSA-N 2 1 298.474 3.771 20 0 CHADMP C[C@H]1CC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172070355 1132121346 /nfs/dbraw/zinc/12/13/46/1132121346.db2.gz ZNTOODNQLPJTFK-KANFNMMFSA-N 2 1 284.447 3.666 20 0 CHADMP C[C@H]1CC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172070355 1132121349 /nfs/dbraw/zinc/12/13/49/1132121349.db2.gz ZNTOODNQLPJTFK-KANFNMMFSA-N 2 1 284.447 3.666 20 0 CHADMP C[C@H]1CC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172070355 1132121354 /nfs/dbraw/zinc/12/13/54/1132121354.db2.gz ZNTOODNQLPJTFK-KANFNMMFSA-N 2 1 284.447 3.666 20 0 CHADMP C[C@H]1CC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172070355 1132121357 /nfs/dbraw/zinc/12/13/57/1132121357.db2.gz ZNTOODNQLPJTFK-KANFNMMFSA-N 2 1 284.447 3.666 20 0 CHADMP CC[N@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172079369 1132122615 /nfs/dbraw/zinc/12/26/15/1132122615.db2.gz NVWUMGQBRIGEDF-BCDXTJNWSA-N 2 1 272.436 3.524 20 0 CHADMP CC[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172079369 1132122620 /nfs/dbraw/zinc/12/26/20/1132122620.db2.gz NVWUMGQBRIGEDF-BCDXTJNWSA-N 2 1 272.436 3.524 20 0 CHADMP CC[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172079369 1132122623 /nfs/dbraw/zinc/12/26/23/1132122623.db2.gz NVWUMGQBRIGEDF-BCDXTJNWSA-N 2 1 272.436 3.524 20 0 CHADMP CC[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172079369 1132122627 /nfs/dbraw/zinc/12/26/27/1132122627.db2.gz NVWUMGQBRIGEDF-BCDXTJNWSA-N 2 1 272.436 3.524 20 0 CHADMP Cc1cc(C)c(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC001172101900 1132122864 /nfs/dbraw/zinc/12/28/64/1132122864.db2.gz ICILBGVJABUHNG-NNZMDNLPSA-N 2 1 286.463 3.717 20 0 CHADMP CC1(C)C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172076745 1132123599 /nfs/dbraw/zinc/12/35/99/1132123599.db2.gz HKPMWMYCVXLKTC-REPLKXPHSA-N 2 1 298.474 3.914 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccccc1C(F)F)C2 ZINC001172099018 1132123637 /nfs/dbraw/zinc/12/36/37/1132123637.db2.gz HVDBEOZUWKDFFU-QKDCVEJESA-N 2 1 294.389 3.729 20 0 CHADMP CC[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172063854 1132125036 /nfs/dbraw/zinc/12/50/36/1132125036.db2.gz DENPZAOPKQIRHQ-OWYHZJEWSA-N 2 1 286.463 3.960 20 0 CHADMP CCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172063663 1132125110 /nfs/dbraw/zinc/12/51/10/1132125110.db2.gz BAYBKCFQOHJNEB-BCDXTJNWSA-N 2 1 272.436 3.572 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]CC2CC2)C3)cc1 ZINC001172069208 1132126187 /nfs/dbraw/zinc/12/61/87/1132126187.db2.gz SAUZJIGWNFLDFH-LDLYASANSA-N 2 1 284.447 3.572 20 0 CHADMP CC[C@H](C[C@@H](C)CC)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000721513011 1132126801 /nfs/dbraw/zinc/12/68/01/1132126801.db2.gz FTTAKNYRPADNOW-BMGDILEWSA-N 2 1 274.452 3.587 20 0 CHADMP CC[C@H](C[C@@H](C)CC)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000721513011 1132126806 /nfs/dbraw/zinc/12/68/06/1132126806.db2.gz FTTAKNYRPADNOW-BMGDILEWSA-N 2 1 274.452 3.587 20 0 CHADMP C[C@H]1CC[C@H]([N@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172130247 1132127366 /nfs/dbraw/zinc/12/73/66/1132127366.db2.gz HUAGDWBBWUCPMB-RDSHKEJNSA-N 2 1 264.457 3.512 20 0 CHADMP C[C@H]1CC[C@H]([N@@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172130247 1132127369 /nfs/dbraw/zinc/12/73/69/1132127369.db2.gz HUAGDWBBWUCPMB-RDSHKEJNSA-N 2 1 264.457 3.512 20 0 CHADMP C[C@H]1CC[C@H]([NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172130247 1132127371 /nfs/dbraw/zinc/12/73/71/1132127371.db2.gz HUAGDWBBWUCPMB-RDSHKEJNSA-N 2 1 264.457 3.512 20 0 CHADMP C[C@H]1CC[C@H]([NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172130247 1132127373 /nfs/dbraw/zinc/12/73/73/1132127373.db2.gz HUAGDWBBWUCPMB-RDSHKEJNSA-N 2 1 264.457 3.512 20 0 CHADMP C[N@H+]([C@H]1CCc2ccccc21)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172133603 1132128549 /nfs/dbraw/zinc/12/85/49/1132128549.db2.gz TZWRLXRMGVUOTB-ZMMAXQRCSA-N 2 1 284.447 3.621 20 0 CHADMP C[N@@H+]([C@H]1CCc2ccccc21)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172133603 1132128551 /nfs/dbraw/zinc/12/85/51/1132128551.db2.gz TZWRLXRMGVUOTB-ZMMAXQRCSA-N 2 1 284.447 3.621 20 0 CHADMP C[NH+]([C@H]1CCc2ccccc21)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172133603 1132128554 /nfs/dbraw/zinc/12/85/54/1132128554.db2.gz TZWRLXRMGVUOTB-ZMMAXQRCSA-N 2 1 284.447 3.621 20 0 CHADMP C[NH+]([C@H]1CCc2ccccc21)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172133603 1132128557 /nfs/dbraw/zinc/12/85/57/1132128557.db2.gz TZWRLXRMGVUOTB-ZMMAXQRCSA-N 2 1 284.447 3.621 20 0 CHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(F)c(F)c1 ZINC001172104368 1132129605 /nfs/dbraw/zinc/12/96/05/1132129605.db2.gz CBDPUTYFTWRXJZ-NGFQHRJXSA-N 2 1 294.389 3.631 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC(C)(C)C1 ZINC001172104649 1132129857 /nfs/dbraw/zinc/12/98/57/1132129857.db2.gz DQWBEKCEUGVCSM-UUAJXVIYSA-N 2 1 278.484 3.806 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC(C)(C)C1 ZINC001172104649 1132129860 /nfs/dbraw/zinc/12/98/60/1132129860.db2.gz DQWBEKCEUGVCSM-UUAJXVIYSA-N 2 1 278.484 3.806 20 0 CHADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(F)c(F)c1 ZINC001172104370 1132129921 /nfs/dbraw/zinc/12/99/21/1132129921.db2.gz CBDPUTYFTWRXJZ-REBRKWNGSA-N 2 1 294.389 3.631 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(Cl)cc1F)C2 ZINC001172107413 1132130092 /nfs/dbraw/zinc/13/00/92/1132130092.db2.gz XEXPNBZNALZDFX-QKDCVEJESA-N 2 1 296.817 3.584 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(Cl)cc1F)C2 ZINC001172107413 1132130094 /nfs/dbraw/zinc/13/00/94/1132130094.db2.gz XEXPNBZNALZDFX-QKDCVEJESA-N 2 1 296.817 3.584 20 0 CHADMP C[C@@H]([NH3+])c1cn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c2ccccc12 ZINC001172108765 1132130136 /nfs/dbraw/zinc/13/01/36/1132130136.db2.gz DWVBSAWCHLDRIP-LVQVYYBASA-N 2 1 297.446 3.849 20 0 CHADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cc(F)ccc1F ZINC001172109515 1132130220 /nfs/dbraw/zinc/13/02/20/1132130220.db2.gz DQJJNFXTSQOUAJ-MHEUCROKSA-N 2 1 294.389 3.631 20 0 CHADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cc(F)ccc1F ZINC001172109515 1132130225 /nfs/dbraw/zinc/13/02/25/1132130225.db2.gz DQJJNFXTSQOUAJ-MHEUCROKSA-N 2 1 294.389 3.631 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(c3ccccc3)CC1)C2 ZINC001172119712 1132131918 /nfs/dbraw/zinc/13/19/18/1132131918.db2.gz ZNEZWTOBQQCTIN-ACDBMABISA-N 2 1 298.474 3.881 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(c3ccccc3)CC1)C2 ZINC001172119712 1132131921 /nfs/dbraw/zinc/13/19/21/1132131921.db2.gz ZNEZWTOBQQCTIN-ACDBMABISA-N 2 1 298.474 3.881 20 0 CHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cc(F)cc(F)c1 ZINC001172111051 1132131972 /nfs/dbraw/zinc/13/19/72/1132131972.db2.gz PZOJZJHPPGNEEK-AHBIMHKDSA-N 2 1 294.389 3.631 20 0 CHADMP CCCC1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172116882 1132132462 /nfs/dbraw/zinc/13/24/62/1132132462.db2.gz JGLMCEXBJNDJRW-GWDNYDDXSA-N 2 1 278.484 3.950 20 0 CHADMP CCCC1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172116882 1132132466 /nfs/dbraw/zinc/13/24/66/1132132466.db2.gz JGLMCEXBJNDJRW-GWDNYDDXSA-N 2 1 278.484 3.950 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(c3ccccc3)CC1)C2 ZINC001172119713 1132133345 /nfs/dbraw/zinc/13/33/45/1132133345.db2.gz ZNEZWTOBQQCTIN-PMOLBWCYSA-N 2 1 298.474 3.881 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(c3ccccc3)CC1)C2 ZINC001172119713 1132133348 /nfs/dbraw/zinc/13/33/48/1132133348.db2.gz ZNEZWTOBQQCTIN-PMOLBWCYSA-N 2 1 298.474 3.881 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC[C@H]1c1cccnc1)C2 ZINC001172121224 1132134973 /nfs/dbraw/zinc/13/49/73/1132134973.db2.gz JIQCXTVASGONNS-RDGPPVDQSA-N 2 1 299.462 3.624 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC[C@H]1c1cccnc1)C2 ZINC001172121224 1132134979 /nfs/dbraw/zinc/13/49/79/1132134979.db2.gz JIQCXTVASGONNS-RDGPPVDQSA-N 2 1 299.462 3.624 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCCC[C@H]1c1cccnc1)C2 ZINC001172121224 1132134983 /nfs/dbraw/zinc/13/49/83/1132134983.db2.gz JIQCXTVASGONNS-RDGPPVDQSA-N 2 1 299.462 3.624 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCC[C@H]1c1cccnc1)C2 ZINC001172121224 1132134987 /nfs/dbraw/zinc/13/49/87/1132134987.db2.gz JIQCXTVASGONNS-RDGPPVDQSA-N 2 1 299.462 3.624 20 0 CHADMP C[N@H+](Cc1ccccc1Cl)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172122690 1132135677 /nfs/dbraw/zinc/13/56/77/1132135677.db2.gz SEGHWEDIOUIOIC-ZSHCYNCHSA-N 2 1 292.854 3.787 20 0 CHADMP C[N@@H+](Cc1ccccc1Cl)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172122690 1132135680 /nfs/dbraw/zinc/13/56/80/1132135680.db2.gz SEGHWEDIOUIOIC-ZSHCYNCHSA-N 2 1 292.854 3.787 20 0 CHADMP C[NH+](Cc1ccccc1Cl)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172122690 1132135685 /nfs/dbraw/zinc/13/56/85/1132135685.db2.gz SEGHWEDIOUIOIC-ZSHCYNCHSA-N 2 1 292.854 3.787 20 0 CHADMP C[NH+](Cc1ccccc1Cl)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172122690 1132135690 /nfs/dbraw/zinc/13/56/90/1132135690.db2.gz SEGHWEDIOUIOIC-ZSHCYNCHSA-N 2 1 292.854 3.787 20 0 CHADMP CC[C@H](CC(C)C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001172392979 1132216974 /nfs/dbraw/zinc/21/69/74/1132216974.db2.gz HQTWWTHGDWOZIX-HZPDHXFCSA-N 2 1 266.473 3.808 20 0 CHADMP CC[C@H](CC(C)C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001172392979 1132216979 /nfs/dbraw/zinc/21/69/79/1132216979.db2.gz HQTWWTHGDWOZIX-HZPDHXFCSA-N 2 1 266.473 3.808 20 0 CHADMP CC[C@@H](CC(C)C)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172400756 1132221286 /nfs/dbraw/zinc/22/12/86/1132221286.db2.gz OBHKDZPAWJHMBJ-ULQDDVLXSA-N 2 1 266.473 3.793 20 0 CHADMP CC[C@@H](CC(C)C)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001172401022 1132223392 /nfs/dbraw/zinc/22/33/92/1132223392.db2.gz MVKWBZVLVOGSHN-HOTGVXAUSA-N 2 1 254.462 3.652 20 0 CHADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172560819 1132269020 /nfs/dbraw/zinc/26/90/20/1132269020.db2.gz LGPBHJRDBNYVLH-RTBURBONSA-N 2 1 286.463 3.596 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172538021 1132275129 /nfs/dbraw/zinc/27/51/29/1132275129.db2.gz LFERNYOUGMEPKN-QXAKKESOSA-N 2 1 286.463 3.644 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172538784 1132276112 /nfs/dbraw/zinc/27/61/12/1132276112.db2.gz SUFIKTYJABAXLK-QZTJIDSGSA-N 2 1 283.419 3.508 20 0 CHADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172540522 1132276195 /nfs/dbraw/zinc/27/61/95/1132276195.db2.gz ILMUPLKDLOPEKG-ZRNYENFQSA-N 2 1 298.474 3.596 20 0 CHADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172540522 1132276201 /nfs/dbraw/zinc/27/62/01/1132276201.db2.gz ILMUPLKDLOPEKG-ZRNYENFQSA-N 2 1 298.474 3.596 20 0 CHADMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172540522 1132276208 /nfs/dbraw/zinc/27/62/08/1132276208.db2.gz ILMUPLKDLOPEKG-ZRNYENFQSA-N 2 1 298.474 3.596 20 0 CHADMP C[N@@H+](C1CCC([NH3+])CC1)[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172542541 1132277914 /nfs/dbraw/zinc/27/79/14/1132277914.db2.gz HYKKOQCZINOMAW-LWSMDNFKSA-N 2 1 286.463 3.915 20 0 CHADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@@H]1CCC[C@@H](c3ccccc3)C1)C2 ZINC001172548761 1132283176 /nfs/dbraw/zinc/28/31/76/1132283176.db2.gz IFEVHOPHOPLYLP-UAFMIMERSA-N 2 1 298.474 3.596 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1CCc2ccc(C)cc2C1 ZINC001172839551 1132331202 /nfs/dbraw/zinc/33/12/02/1132331202.db2.gz RZXZQEWRGCIMAS-LJQANCHMSA-N 2 1 288.479 3.516 20 0 CHADMP CC[NH+](CC)C1CCC([N@@H+](C)C2CCCCC2)CC1 ZINC001173109012 1132392012 /nfs/dbraw/zinc/39/20/12/1132392012.db2.gz VNZDGFQZOWVYGN-UHFFFAOYSA-N 2 1 266.473 3.904 20 0 CHADMP CC[NH+](CC)C1CCC([N@@H+](CC)Cc2cccnc2)CC1 ZINC001173114499 1132394120 /nfs/dbraw/zinc/39/41/20/1132394120.db2.gz MSBWEQSHMVEINI-UHFFFAOYSA-N 2 1 289.467 3.557 20 0 CHADMP Fc1ccccc1[C@@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232014618 1132411400 /nfs/dbraw/zinc/41/14/00/1132411400.db2.gz SPYYFALYCBRDLC-CYBMUJFWSA-N 2 1 295.361 3.692 20 0 CHADMP C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+]C1(C[NH3+])CC1 ZINC001173213269 1132416388 /nfs/dbraw/zinc/41/63/88/1132416388.db2.gz DYCWGUVOGMKUAH-MRXNPFEDSA-N 2 1 294.442 3.678 20 0 CHADMP CCCC[C@@H](CC(C)C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001173256786 1132425082 /nfs/dbraw/zinc/42/50/82/1132425082.db2.gz URSVCOGYLIKOCG-KRWDZBQOSA-N 2 1 268.489 3.865 20 0 CHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CC[C@H]2c2ccccc2)c1 ZINC001232145711 1132427058 /nfs/dbraw/zinc/42/70/58/1132427058.db2.gz DZWGFTSETIUSBZ-IBGZPJMESA-N 2 1 298.405 3.834 20 0 CHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@H]2c2ccccc2)c1 ZINC001232145711 1132427062 /nfs/dbraw/zinc/42/70/62/1132427062.db2.gz DZWGFTSETIUSBZ-IBGZPJMESA-N 2 1 298.405 3.834 20 0 CHADMP [NH3+]CCCCCCC[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000842471491 1132432783 /nfs/dbraw/zinc/43/27/83/1132432783.db2.gz FAOQTOGEGKALGS-KRWDZBQOSA-N 2 1 292.492 3.686 20 0 CHADMP [NH3+]CCCCCCC[N@@H+](Cc1ccccc1F)C1CC1 ZINC000842471640 1132433619 /nfs/dbraw/zinc/43/36/19/1132433619.db2.gz OBAGZWAOGHBBHN-UHFFFAOYSA-N 2 1 278.415 3.699 20 0 CHADMP c1ccc2c(c1)cccc2[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]1 ZINC000843060735 1132494995 /nfs/dbraw/zinc/49/49/95/1132494995.db2.gz NRRXMXDRZHFJSP-QFBILLFUSA-N 2 1 280.415 3.729 20 0 CHADMP c1ccc2c(c1)cccc2[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]1 ZINC000843060735 1132494997 /nfs/dbraw/zinc/49/49/97/1132494997.db2.gz NRRXMXDRZHFJSP-QFBILLFUSA-N 2 1 280.415 3.729 20 0 CHADMP C[N@@H+](CCc1ccc2ccccc2c1)C1CCC([NH3+])CC1 ZINC000843354738 1132521800 /nfs/dbraw/zinc/52/18/00/1132521800.db2.gz FRUGZRWORPWTOW-UHFFFAOYSA-N 2 1 282.431 3.584 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccccc1-n1cccc1 ZINC001232911975 1132541385 /nfs/dbraw/zinc/54/13/85/1132541385.db2.gz GVLCMDAVUXPCCJ-UHFFFAOYSA-N 2 1 299.462 3.641 20 0 CHADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC001206633104 1132551790 /nfs/dbraw/zinc/55/17/90/1132551790.db2.gz SYWJIUFUVVKPLU-HNNXBMFYSA-N 2 1 284.403 3.507 20 0 CHADMP Cc1cc(C)[nH+]c(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC001156523179 1132701690 /nfs/dbraw/zinc/70/16/90/1132701690.db2.gz MRTBJSPJMLYELL-SFHVURJKSA-N 2 1 295.430 3.947 20 0 CHADMP c1cn2cc(Nc3ccccc3C[NH+]3CCCC3)ccc2[nH+]1 ZINC001174279409 1132770096 /nfs/dbraw/zinc/77/00/96/1132770096.db2.gz XYUMSMZMDQIISA-UHFFFAOYSA-N 2 1 292.386 3.674 20 0 CHADMP c1cc2cc[nH+]cc2c(Nc2ccc3c(c2)CC[NH2+]C3)c1 ZINC001159563330 1132863035 /nfs/dbraw/zinc/86/30/35/1132863035.db2.gz CICWQVUGPIQLQH-UHFFFAOYSA-N 2 1 275.355 3.624 20 0 CHADMP c1cc2cc[nH+]cc2c(Nc2ccc3c(c2)C[NH2+]CC3)c1 ZINC001159616404 1132875481 /nfs/dbraw/zinc/87/54/81/1132875481.db2.gz YQSOSGDCPRMENR-UHFFFAOYSA-N 2 1 275.355 3.624 20 0 CHADMP CC(C)([NH3+])c1ccc(Nc2ccc3[nH]c[nH+]c3c2)cc1 ZINC001160224780 1132950380 /nfs/dbraw/zinc/95/03/80/1132950380.db2.gz ZJUGDBPTQLHYLI-UHFFFAOYSA-N 2 1 266.348 3.500 20 0 CHADMP CCCCNc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001162204269 1133058974 /nfs/dbraw/zinc/05/89/74/1133058974.db2.gz WYGOMGOXFZWUPR-HNNXBMFYSA-N 2 1 286.423 3.563 20 0 CHADMP Cc1ccc2c(C)cc(NC[C@H]3CCC[NH2+]C[C@H]3C)[nH+]c2c1 ZINC001162462340 1133079074 /nfs/dbraw/zinc/07/90/74/1133079074.db2.gz UZCOUNZBACBXBJ-HZPDHXFCSA-N 2 1 297.446 3.899 20 0 CHADMP C[C@H]([NH3+])c1ccc2c(ccn2-c2cc[nH+]c3c2ccn3C)c1 ZINC001162914157 1133122135 /nfs/dbraw/zinc/12/21/35/1133122135.db2.gz ONHHIFWRMZLRPJ-LBPRGKRZSA-N 2 1 290.370 3.537 20 0 CHADMP Cc1ccc2c(C)cc(N(C)CCC[NH+](C)C)[nH+]c2c1C ZINC001163598561 1133161458 /nfs/dbraw/zinc/16/14/58/1133161458.db2.gz YYULEEYWQFZNDZ-UHFFFAOYSA-N 2 1 285.435 3.548 20 0 CHADMP Cc1cc2cc(NCC[C@@H]3CCC[N@H+](C)C3)ccc2c[nH+]1 ZINC001165300720 1133238491 /nfs/dbraw/zinc/23/84/91/1133238491.db2.gz RNZVMHUOJYAEFL-HNNXBMFYSA-N 2 1 283.419 3.687 20 0 CHADMP CC(C)[NH+]1CCC(CNc2cc(C(C)(C)C)cc[nH+]2)CC1 ZINC001166635355 1133278853 /nfs/dbraw/zinc/27/88/53/1133278853.db2.gz CHNZJOHVJNSOFV-UHFFFAOYSA-N 2 1 289.467 3.911 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1cccc(F)c1 ZINC001203789595 1133368669 /nfs/dbraw/zinc/36/86/69/1133368669.db2.gz KEAVDZFYBXXQBJ-ROUUACIJSA-N 2 1 290.426 3.665 20 0 CHADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001203789595 1133368673 /nfs/dbraw/zinc/36/86/73/1133368673.db2.gz KEAVDZFYBXXQBJ-ROUUACIJSA-N 2 1 290.426 3.665 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001203789595 1133368679 /nfs/dbraw/zinc/36/86/79/1133368679.db2.gz KEAVDZFYBXXQBJ-ROUUACIJSA-N 2 1 290.426 3.665 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001203789595 1133368686 /nfs/dbraw/zinc/36/86/86/1133368686.db2.gz KEAVDZFYBXXQBJ-ROUUACIJSA-N 2 1 290.426 3.665 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001203789595 1133368689 /nfs/dbraw/zinc/36/86/89/1133368689.db2.gz KEAVDZFYBXXQBJ-ROUUACIJSA-N 2 1 290.426 3.665 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2c[nH]c3ccccc23)CC1 ZINC001204049096 1133403419 /nfs/dbraw/zinc/40/34/19/1133403419.db2.gz BWPMNTQTSRTITO-UHFFFAOYSA-N 2 1 299.462 3.864 20 0 CHADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(SC)s1 ZINC001204110868 1133407606 /nfs/dbraw/zinc/40/76/06/1133407606.db2.gz KMGFCDHYACXNBB-LBPRGKRZSA-N 2 1 286.510 3.680 20 0 CHADMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2c(F)cccc2F)CC1 ZINC001204201947 1133418107 /nfs/dbraw/zinc/41/81/07/1133418107.db2.gz LUHURMVTIZFFBX-UHFFFAOYSA-N 2 1 296.405 3.517 20 0 CHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2c(F)cccc2F)CC1 ZINC001204201947 1133418111 /nfs/dbraw/zinc/41/81/11/1133418111.db2.gz LUHURMVTIZFFBX-UHFFFAOYSA-N 2 1 296.405 3.517 20 0 CHADMP CCOC(=[NH2+])c1ccc(-c2ccc(C[NH+](C)C)cc2)cc1 ZINC001204642492 1133470643 /nfs/dbraw/zinc/47/06/43/1133470643.db2.gz UPBVWITZMPTGGC-UHFFFAOYSA-N 2 1 282.387 3.777 20 0 CHADMP CCCc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)s1 ZINC001204735068 1133479612 /nfs/dbraw/zinc/47/96/12/1133479612.db2.gz KQTFYLLOTTZVBX-UHFFFAOYSA-N 2 1 292.492 3.666 20 0 CHADMP CC(C)=CCCC1=CC[C@@H](C[N@H+]2CC[C@](C)([NH3+])C2)CC1 ZINC001204763186 1133482282 /nfs/dbraw/zinc/48/22/82/1133482282.db2.gz HUIJEJVLZDPZDD-MSOLQXFVSA-N 2 1 276.468 3.882 20 0 CHADMP Cc1cccc([C@@H]2CCC[N@H+]2CC2(C)CC[NH2+]CC2)c1 ZINC001204847434 1133491469 /nfs/dbraw/zinc/49/14/69/1133491469.db2.gz ASBZDDSUKYYQOB-KRWDZBQOSA-N 2 1 272.436 3.522 20 0 CHADMP Cc1cccc([C@H]2CCC[N@H+]2CC2CC3(C2)CC[NH2+]CC3)c1 ZINC001204847560 1133491948 /nfs/dbraw/zinc/49/19/48/1133491948.db2.gz CHLDYJQNOZTEJS-LJQANCHMSA-N 2 1 298.474 3.912 20 0 CHADMP Cc1cccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1C ZINC001205095916 1133528751 /nfs/dbraw/zinc/52/87/51/1133528751.db2.gz POCWMTCEYGYEJX-UHFFFAOYSA-N 2 1 286.463 3.754 20 0 CHADMP C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc2c(s1)C[NH2+]CC2 ZINC001205164631 1133539354 /nfs/dbraw/zinc/53/93/54/1133539354.db2.gz JXQQRCPLUQCDEL-CYBMUJFWSA-N 2 1 298.455 3.513 20 0 CHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cccc3[nH]ccc32)CC1 ZINC001205282366 1133554767 /nfs/dbraw/zinc/55/47/67/1133554767.db2.gz SZMXXXPTDMMOCW-UHFFFAOYSA-N 2 1 299.462 3.720 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@H](C)[C@H](C[NH3+])C3)cc2)o1 ZINC001205303599 1133556468 /nfs/dbraw/zinc/55/64/68/1133556468.db2.gz IJGITNAXGOGKKA-KBXCAEBGSA-N 2 1 298.430 3.672 20 0 CHADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccccc1-c1ccccc1 ZINC001205332551 1133563684 /nfs/dbraw/zinc/56/36/84/1133563684.db2.gz RQMBRENQIHZGIK-INIZCTEOSA-N 2 1 280.415 3.537 20 0 CHADMP CC1(C[NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CCCC1 ZINC001205555114 1133588713 /nfs/dbraw/zinc/58/87/13/1133588713.db2.gz PGVNIQQGMKFXBB-KRWDZBQOSA-N 2 1 278.484 3.953 20 0 CHADMP Cc1ccc(Cl)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1F ZINC001205618930 1133596685 /nfs/dbraw/zinc/59/66/85/1133596685.db2.gz ZGRIFBCSPOAFGM-YPMHNXCESA-N 2 1 298.833 3.594 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2ccc3ccsc3c2)CC[C@@H]1C[NH3+] ZINC001205637974 1133597760 /nfs/dbraw/zinc/59/77/60/1133597760.db2.gz KDQGLXFHTRXBFC-XJKSGUPXSA-N 2 1 288.460 3.708 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)CCc1ccc(C(C)C)cc1 ZINC001205693365 1133603648 /nfs/dbraw/zinc/60/36/48/1133603648.db2.gz VEXXWPUUMKGCGW-UHFFFAOYSA-N 2 1 276.468 3.626 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](CC)CC1 ZINC001205717595 1133606127 /nfs/dbraw/zinc/60/61/27/1133606127.db2.gz ROEOYDQXUPUDBE-ULQDDVLXSA-N 2 1 266.473 3.809 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](CC)CC1 ZINC001205717595 1133606131 /nfs/dbraw/zinc/60/61/31/1133606131.db2.gz ROEOYDQXUPUDBE-ULQDDVLXSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccccc1-c1ccccc1 ZINC001205913542 1133629563 /nfs/dbraw/zinc/62/95/63/1133629563.db2.gz IYQWLYRZXUCYOR-AEFFLSMTSA-N 2 1 294.442 3.913 20 0 CHADMP CCCC[C@H](C)[NH2+][C@@H](CC(C)C)C[NH+]1CCCC1 ZINC001205923721 1133630964 /nfs/dbraw/zinc/63/09/64/1133630964.db2.gz DMNMANHUJHPMMG-HOTGVXAUSA-N 2 1 254.462 3.665 20 0 CHADMP Cc1c(C[N@@H+]2CCCC[C@@H]([NH3+])C2)cccc1-c1ccccc1 ZINC001205939610 1133632524 /nfs/dbraw/zinc/63/25/24/1133632524.db2.gz SLBGCWGCUVEMOY-LJQANCHMSA-N 2 1 294.442 3.975 20 0 CHADMP Cc1c(C[N@H+]2CCCC[C@@H]([NH3+])C2)cccc1-c1ccccc1 ZINC001205939610 1133632527 /nfs/dbraw/zinc/63/25/27/1133632527.db2.gz SLBGCWGCUVEMOY-LJQANCHMSA-N 2 1 294.442 3.975 20 0 CHADMP [NH3+][C@H]1CCCC[N@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001205931344 1133632829 /nfs/dbraw/zinc/63/28/29/1133632829.db2.gz JDKOVZGNIVOMPB-IBGZPJMESA-N 2 1 298.405 3.806 20 0 CHADMP [NH3+][C@H]1CCCC[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001205931344 1133632832 /nfs/dbraw/zinc/63/28/32/1133632832.db2.gz JDKOVZGNIVOMPB-IBGZPJMESA-N 2 1 298.405 3.806 20 0 CHADMP C[C@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2)CCC[C@H]1C[NH3+] ZINC001206005233 1133640183 /nfs/dbraw/zinc/64/01/83/1133640183.db2.gz XDQHWSRGWNRKGE-RDJZCZTQSA-N 2 1 288.479 3.791 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2)CCC[C@H]1C[NH3+] ZINC001206005235 1133640838 /nfs/dbraw/zinc/64/08/38/1133640838.db2.gz XDQHWSRGWNRKGE-WBVHZDCISA-N 2 1 288.479 3.791 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccc3cccccc2-3)CCC[C@H]1C[NH3+] ZINC001206024150 1133643431 /nfs/dbraw/zinc/64/34/31/1133643431.db2.gz IBWSHUDPVZYLIT-WBVHZDCISA-N 2 1 282.431 3.598 20 0 CHADMP Fc1ccc([C@@H]2CCC[N@H+]2Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001206050034 1133649224 /nfs/dbraw/zinc/64/92/24/1133649224.db2.gz YOGDJSAKTVNCJN-IBGZPJMESA-N 2 1 296.389 3.766 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCC[NH2+]C2CCCCC2)C[C@@H]1C ZINC001206109597 1133658599 /nfs/dbraw/zinc/65/85/99/1133658599.db2.gz DDZNYUJCFAMLFY-CVEARBPZSA-N 2 1 266.473 3.667 20 0 CHADMP CCC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206188843 1133669198 /nfs/dbraw/zinc/66/91/98/1133669198.db2.gz VZVAGOMCYCUIMZ-SJORKVTESA-N 2 1 292.442 3.635 20 0 CHADMP CC1(C)C[C@@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001206255838 1133676853 /nfs/dbraw/zinc/67/68/53/1133676853.db2.gz GAHWEDGVJLDWGM-JQHSSLGASA-N 2 1 284.447 3.743 20 0 CHADMP CC1(C)C[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001206255838 1133676857 /nfs/dbraw/zinc/67/68/57/1133676857.db2.gz GAHWEDGVJLDWGM-JQHSSLGASA-N 2 1 284.447 3.743 20 0 CHADMP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001206269703 1133679827 /nfs/dbraw/zinc/67/98/27/1133679827.db2.gz SEZDZSQMAKGNSG-HNNXBMFYSA-N 2 1 298.405 3.534 20 0 CHADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001206269703 1133679832 /nfs/dbraw/zinc/67/98/32/1133679832.db2.gz SEZDZSQMAKGNSG-HNNXBMFYSA-N 2 1 298.405 3.534 20 0 CHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc3ccccc3c2)CC1 ZINC001206296771 1133684938 /nfs/dbraw/zinc/68/49/38/1133684938.db2.gz USYIYBDSQRSDEM-LJQANCHMSA-N 2 1 282.431 3.791 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2csc3ccccc23)CC1 ZINC001206311430 1133687983 /nfs/dbraw/zinc/68/79/83/1133687983.db2.gz OJZMNCLNFRNYRG-KRWDZBQOSA-N 2 1 288.460 3.852 20 0 CHADMP Cc1c(Cl)ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1F ZINC001206326450 1133689590 /nfs/dbraw/zinc/68/95/90/1133689590.db2.gz NPHFTXBUVQSKCZ-INIZCTEOSA-N 2 1 298.833 3.738 20 0 CHADMP CCCC[C@H](CC)C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206541916 1133715415 /nfs/dbraw/zinc/71/54/15/1133715415.db2.gz NJFMKVKNCRPADC-JKSUJKDBSA-N 2 1 254.462 3.654 20 0 CHADMP CCC[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)[C@H]1CC1(C)C ZINC001206537765 1133715802 /nfs/dbraw/zinc/71/58/02/1133715802.db2.gz NSUSTXDBJLSSHK-HZPDHXFCSA-N 2 1 268.489 3.769 20 0 CHADMP Cc1cc(Cl)cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206572102 1133719890 /nfs/dbraw/zinc/71/98/90/1133719890.db2.gz AUAQDKWPUBTYHK-MRXNPFEDSA-N 2 1 280.843 3.599 20 0 CHADMP CC(C)[N@@H+](CC1(C)CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC001206580072 1133722015 /nfs/dbraw/zinc/72/20/15/1133722015.db2.gz BXWFGMSHJKGTNI-MRXNPFEDSA-N 2 1 266.473 3.809 20 0 CHADMP CC(C)[N@@H+](Cc1ccccc1C1CC1)[C@@H]1CCC[NH2+]CC1 ZINC001206591311 1133723635 /nfs/dbraw/zinc/72/36/35/1133723635.db2.gz RERVRQOWGFKGHK-GOSISDBHSA-N 2 1 286.463 3.917 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206606558 1133727073 /nfs/dbraw/zinc/72/70/73/1133727073.db2.gz PGBZSSLSALYBKQ-QGZUEGPWSA-N 2 1 252.446 3.574 20 0 CHADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1C[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001206761158 1133743124 /nfs/dbraw/zinc/74/31/24/1133743124.db2.gz VDYWENKSBOMRBF-SMKXDYDZSA-N 2 1 292.854 3.503 20 0 CHADMP C[C@H](CC[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C)CC(C)(C)C ZINC001206760925 1133743242 /nfs/dbraw/zinc/74/32/42/1133743242.db2.gz OGMNEGGPDVROSS-QLFBSQMISA-N 2 1 254.462 3.508 20 0 CHADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cccc2c(F)cccc12 ZINC001206811441 1133751771 /nfs/dbraw/zinc/75/17/71/1133751771.db2.gz UPSZZBCVTAQHJT-KGLIPLIRSA-N 2 1 286.394 3.538 20 0 CHADMP Cc1cc(C)cc([C@@H]2CCC[N@@H+]2CC2CC[NH+](C)CC2)c1 ZINC001207400639 1133797607 /nfs/dbraw/zinc/79/76/07/1133797607.db2.gz IFWPMHVYFXUOOL-IBGZPJMESA-N 2 1 286.463 3.782 20 0 CHADMP C[NH+]1CCC(CC[N@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC001207484350 1133805991 /nfs/dbraw/zinc/80/59/91/1133805991.db2.gz JLYYHZXKPSRKDS-GOSISDBHSA-N 2 1 272.436 3.555 20 0 CHADMP C[NH+]1CCC(CC[N@H+]2CC[C@H](C3CCCCC3)C2)CC1 ZINC001207486068 1133806212 /nfs/dbraw/zinc/80/62/12/1133806212.db2.gz DCOHHMGWCSTZIU-SFHVURJKSA-N 2 1 278.484 3.621 20 0 CHADMP C[N@H+](C1CC1)C1CC[NH+](CCCCc2ccccc2)CC1 ZINC001207614878 1133833166 /nfs/dbraw/zinc/83/31/66/1133833166.db2.gz IJSRNOZDEORTIG-UHFFFAOYSA-N 2 1 286.463 3.568 20 0 CHADMP C[N@@H+](C1CC1)C1CC[NH+](CCCCc2ccccc2)CC1 ZINC001207614878 1133833170 /nfs/dbraw/zinc/83/31/70/1133833170.db2.gz IJSRNOZDEORTIG-UHFFFAOYSA-N 2 1 286.463 3.568 20 0 CHADMP CC[N@@H+](Cc1ccc(C)c(C)c1)CC1(C)CC[NH+](C)CC1 ZINC001208112722 1133879519 /nfs/dbraw/zinc/87/95/19/1133879519.db2.gz XXLJNAIKAOHTHF-UHFFFAOYSA-N 2 1 288.479 3.857 20 0 CHADMP C[NH+](C)C1(C[NH2+]CC2CCCCCC2)CCCCC1 ZINC000089557020 1133915510 /nfs/dbraw/zinc/91/55/10/1133915510.db2.gz VULBYXMFJNFMJJ-UHFFFAOYSA-N 2 1 266.473 3.811 20 0 CHADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H]2c2ccc(C)cc2)CC1 ZINC001208600867 1133918141 /nfs/dbraw/zinc/91/81/41/1133918141.db2.gz YDIIJORUTSBHDZ-LJQANCHMSA-N 2 1 286.463 3.864 20 0 CHADMP C[N@@H+](CCC(C)(C)c1ccccc1)CC1CC[NH+](C)CC1 ZINC001208664934 1133924560 /nfs/dbraw/zinc/92/45/60/1133924560.db2.gz APGFLGBKQTUNPZ-UHFFFAOYSA-N 2 1 288.479 3.628 20 0 CHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CCC4CC4)CC[C@H]3C2)cc1 ZINC001208687049 1133927738 /nfs/dbraw/zinc/92/77/38/1133927738.db2.gz ZBDSOBUSJDFHBS-UXHICEINSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CCC4CC4)CC[C@H]3C2)cc1 ZINC001208687049 1133927739 /nfs/dbraw/zinc/92/77/39/1133927739.db2.gz ZBDSOBUSJDFHBS-UXHICEINSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CCC4CC4)CC[C@H]3C2)cc1 ZINC001208687049 1133927742 /nfs/dbraw/zinc/92/77/42/1133927742.db2.gz ZBDSOBUSJDFHBS-UXHICEINSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C2(C[NH+]3CCC([NH+]4CCC4)CC3)CCCC2)cc1 ZINC001208779348 1133945051 /nfs/dbraw/zinc/94/50/51/1133945051.db2.gz HLZPKNHOPYUCKB-UHFFFAOYSA-N 2 1 298.474 3.669 20 0 CHADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208928343 1133963004 /nfs/dbraw/zinc/96/30/04/1133963004.db2.gz FXFCLFLTNBDWDW-MJGOQNOKSA-N 2 1 286.463 3.631 20 0 CHADMP CC[N@@H+](C[C@@H]1CCCN(Cc2ccccc2)C1)C(C)C ZINC001208928773 1133964176 /nfs/dbraw/zinc/96/41/76/1133964176.db2.gz KZYBYAHIFIZBIM-GOSISDBHSA-N 2 1 274.452 3.629 20 0 CHADMP CC[N@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)C(C)C ZINC001208928773 1133964178 /nfs/dbraw/zinc/96/41/78/1133964178.db2.gz KZYBYAHIFIZBIM-GOSISDBHSA-N 2 1 274.452 3.629 20 0 CHADMP CC[N@@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)C(C)C ZINC001208928773 1133964180 /nfs/dbraw/zinc/96/41/80/1133964180.db2.gz KZYBYAHIFIZBIM-GOSISDBHSA-N 2 1 274.452 3.629 20 0 CHADMP CC[NH+](C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(C)C ZINC001208928773 1133964183 /nfs/dbraw/zinc/96/41/83/1133964183.db2.gz KZYBYAHIFIZBIM-GOSISDBHSA-N 2 1 274.452 3.629 20 0 CHADMP CC[NH+](C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC001208928773 1133964185 /nfs/dbraw/zinc/96/41/85/1133964185.db2.gz KZYBYAHIFIZBIM-GOSISDBHSA-N 2 1 274.452 3.629 20 0 CHADMP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC34CCCC4)C2)cc1 ZINC001208933478 1133965323 /nfs/dbraw/zinc/96/53/23/1133965323.db2.gz VWGQJDQSWKWANZ-IBGZPJMESA-N 2 1 298.474 3.917 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC34CCCC4)C2)cc1 ZINC001208933478 1133965328 /nfs/dbraw/zinc/96/53/28/1133965328.db2.gz VWGQJDQSWKWANZ-IBGZPJMESA-N 2 1 298.474 3.917 20 0 CHADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCC34CCCC4)C2)cc1 ZINC001208933478 1133965331 /nfs/dbraw/zinc/96/53/31/1133965331.db2.gz VWGQJDQSWKWANZ-IBGZPJMESA-N 2 1 298.474 3.917 20 0 CHADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCC34CCCC4)C2)cc1 ZINC001208933478 1133965336 /nfs/dbraw/zinc/96/53/36/1133965336.db2.gz VWGQJDQSWKWANZ-IBGZPJMESA-N 2 1 298.474 3.917 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCC34CCCC4)C2)cc1 ZINC001208944660 1133965575 /nfs/dbraw/zinc/96/55/75/1133965575.db2.gz YHMFCDRYZARKSL-GOSISDBHSA-N 2 1 284.447 3.527 20 0 CHADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CCC34CCCC4)C2)cc1 ZINC001208944660 1133965580 /nfs/dbraw/zinc/96/55/80/1133965580.db2.gz YHMFCDRYZARKSL-GOSISDBHSA-N 2 1 284.447 3.527 20 0 CHADMP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CCC34CCCC4)C2)cc1 ZINC001208944660 1133965585 /nfs/dbraw/zinc/96/55/85/1133965585.db2.gz YHMFCDRYZARKSL-GOSISDBHSA-N 2 1 284.447 3.527 20 0 CHADMP CC(C)[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC001208947484 1133966654 /nfs/dbraw/zinc/96/66/54/1133966654.db2.gz KROQNBAROULLHC-SFHVURJKSA-N 2 1 274.452 3.627 20 0 CHADMP CC(C)[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC001208947484 1133966660 /nfs/dbraw/zinc/96/66/60/1133966660.db2.gz KROQNBAROULLHC-SFHVURJKSA-N 2 1 274.452 3.627 20 0 CHADMP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3C4CCC3CC4)C2)cc1 ZINC001208935423 1133966876 /nfs/dbraw/zinc/96/68/76/1133966876.db2.gz JDBFJVIHIUJQTC-VIQWUECVSA-N 2 1 284.447 3.525 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3C4CCC3CC4)C2)cc1 ZINC001208935423 1133966882 /nfs/dbraw/zinc/96/68/82/1133966882.db2.gz JDBFJVIHIUJQTC-VIQWUECVSA-N 2 1 284.447 3.525 20 0 CHADMP C[C@@H]1CCCCC[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208952418 1133968083 /nfs/dbraw/zinc/96/80/83/1133968083.db2.gz SCGMFHOKWXOPEB-MJGOQNOKSA-N 2 1 286.463 3.773 20 0 CHADMP C[C@@H]1CCCCC[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208952418 1133968088 /nfs/dbraw/zinc/96/80/88/1133968088.db2.gz SCGMFHOKWXOPEB-MJGOQNOKSA-N 2 1 286.463 3.773 20 0 CHADMP C[C@@H]1CCCCC[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208952418 1133968092 /nfs/dbraw/zinc/96/80/92/1133968092.db2.gz SCGMFHOKWXOPEB-MJGOQNOKSA-N 2 1 286.463 3.773 20 0 CHADMP CC(C)[C@H]1CCC[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208956354 1133968675 /nfs/dbraw/zinc/96/86/75/1133968675.db2.gz HGZDIBAEWVDKJW-RBUKOAKNSA-N 2 1 286.463 3.629 20 0 CHADMP CC(C)[C@H]1CCC[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208956354 1133968679 /nfs/dbraw/zinc/96/86/79/1133968679.db2.gz HGZDIBAEWVDKJW-RBUKOAKNSA-N 2 1 286.463 3.629 20 0 CHADMP CC(C)[C@H]1CCC[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208956354 1133968681 /nfs/dbraw/zinc/96/86/81/1133968681.db2.gz HGZDIBAEWVDKJW-RBUKOAKNSA-N 2 1 286.463 3.629 20 0 CHADMP Cc1ccc(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)[nH]1 ZINC001209576192 1134038447 /nfs/dbraw/zinc/03/84/47/1134038447.db2.gz SXPDBODHOYSJMI-UHFFFAOYSA-N 2 1 289.467 3.552 20 0 CHADMP Cc1ccc(C[N@H+](C)C2CC[NH+](C3CCCCC3)CC2)[nH]1 ZINC001209576192 1134038454 /nfs/dbraw/zinc/03/84/54/1134038454.db2.gz SXPDBODHOYSJMI-UHFFFAOYSA-N 2 1 289.467 3.552 20 0 CHADMP CCC(C)(C)c1ccc(C[N@@H+]2CC[NH2+][C@H](C)CC2)cc1 ZINC001210499202 1134230511 /nfs/dbraw/zinc/23/05/11/1134230511.db2.gz SRQZBHJMJSTYSW-OAHLLOKOSA-N 2 1 274.452 3.558 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CC[NH2+][C@H](C)CC2)cc1 ZINC001210499202 1134230518 /nfs/dbraw/zinc/23/05/18/1134230518.db2.gz SRQZBHJMJSTYSW-OAHLLOKOSA-N 2 1 274.452 3.558 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(Cl)s1 ZINC000182967365 1134629535 /nfs/dbraw/zinc/62/95/35/1134629535.db2.gz DQKVBUZJTBZILJ-GHMZBOCLSA-N 2 1 272.845 3.536 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(Cl)s1 ZINC000182967365 1134629537 /nfs/dbraw/zinc/62/95/37/1134629537.db2.gz DQKVBUZJTBZILJ-GHMZBOCLSA-N 2 1 272.845 3.536 20 0 CHADMP Cc1cc[nH+]c(Nc2ccc(C[NH2+]CC(C)C)cc2)c1 ZINC001215742527 1134671453 /nfs/dbraw/zinc/67/14/53/1134671453.db2.gz GRFVAZVUTQUNJL-UHFFFAOYSA-N 2 1 269.392 3.879 20 0 CHADMP CCCC[C@@H](C)Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001218222411 1135070489 /nfs/dbraw/zinc/07/04/89/1135070489.db2.gz CDJPGLVOSCSPQF-OAHLLOKOSA-N 2 1 290.451 3.567 20 0 CHADMP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C1 ZINC000311875849 1135132082 /nfs/dbraw/zinc/13/20/82/1135132082.db2.gz ATRWMYGMKIZRPZ-IKGGRYGDSA-N 2 1 268.489 3.910 20 0 CHADMP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C1 ZINC000311875849 1135132085 /nfs/dbraw/zinc/13/20/85/1135132085.db2.gz ATRWMYGMKIZRPZ-IKGGRYGDSA-N 2 1 268.489 3.910 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC001222153980 1135200482 /nfs/dbraw/zinc/20/04/82/1135200482.db2.gz DYAAXVUDMBFKJO-QGZVFWFLSA-N 2 1 292.854 3.532 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC001222153980 1135200489 /nfs/dbraw/zinc/20/04/89/1135200489.db2.gz DYAAXVUDMBFKJO-QGZVFWFLSA-N 2 1 292.854 3.532 20 0 CHADMP Cc1ccccc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222162092 1135203414 /nfs/dbraw/zinc/20/34/14/1135203414.db2.gz XSHJUBLTHFLXPT-IBGZPJMESA-N 2 1 286.463 3.741 20 0 CHADMP Fc1cccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222161634 1135203427 /nfs/dbraw/zinc/20/34/27/1135203427.db2.gz QJAMZOAOXYLZFR-GOSISDBHSA-N 2 1 290.426 3.572 20 0 CHADMP CC1=CC[C@H](CC[N@H+]2CCC[C@@]23CCC[NH2+]C3)C1(C)C ZINC001222230724 1135211846 /nfs/dbraw/zinc/21/18/46/1135211846.db2.gz CLCSMWHVEIMCFS-SJLPKXTDSA-N 2 1 276.468 3.587 20 0 CHADMP CC(C)(C)c1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222237147 1135212668 /nfs/dbraw/zinc/21/26/68/1135212668.db2.gz FGHCWAGTSWLFRK-IBGZPJMESA-N 2 1 286.463 3.702 20 0 CHADMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222237147 1135212670 /nfs/dbraw/zinc/21/26/70/1135212670.db2.gz FGHCWAGTSWLFRK-IBGZPJMESA-N 2 1 286.463 3.702 20 0 CHADMP Cc1[nH]c2ccccc2c1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222309684 1135222913 /nfs/dbraw/zinc/22/29/13/1135222913.db2.gz POEDBXHMTJXXNY-LJQANCHMSA-N 2 1 297.446 3.584 20 0 CHADMP Cc1cccc(Cl)c1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222314841 1135224173 /nfs/dbraw/zinc/22/41/73/1135224173.db2.gz JGGGYVOCXPSXTM-QGZVFWFLSA-N 2 1 292.854 3.757 20 0 CHADMP c1c2ccccc2oc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222316429 1135224947 /nfs/dbraw/zinc/22/49/47/1135224947.db2.gz WDVBNZUPKDRAQU-GOSISDBHSA-N 2 1 284.403 3.541 20 0 CHADMP c1oc2ccccc2c1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222316402 1135224982 /nfs/dbraw/zinc/22/49/82/1135224982.db2.gz VTCWSDQEAUCAFY-SFHVURJKSA-N 2 1 284.403 3.541 20 0 CHADMP c1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c2cccccc1-2 ZINC001222321436 1135225086 /nfs/dbraw/zinc/22/50/86/1135225086.db2.gz WAJSHBWXHKRSLG-HXUWFJFHSA-N 2 1 294.442 3.900 20 0 CHADMP CC(C)(CC[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC001222347230 1135229390 /nfs/dbraw/zinc/22/93/90/1135229390.db2.gz ZTCDACFUKDWRJT-LJQANCHMSA-N 2 1 286.463 3.572 20 0 CHADMP CC(C)(CC[N@H+]1CCC[C@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC001222347230 1135229394 /nfs/dbraw/zinc/22/93/94/1135229394.db2.gz ZTCDACFUKDWRJT-LJQANCHMSA-N 2 1 286.463 3.572 20 0 CHADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)CC1 ZINC001222385377 1135233362 /nfs/dbraw/zinc/23/33/62/1135233362.db2.gz LKRGCUMBVFZPLX-BZSNNMDCSA-N 2 1 276.468 3.587 20 0 CHADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)CC1 ZINC001222385378 1135234114 /nfs/dbraw/zinc/23/41/14/1135234114.db2.gz LKRGCUMBVFZPLX-KSZLIROESA-N 2 1 276.468 3.587 20 0 CHADMP C[C@@H](CC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2)CC(C)(C)C ZINC001222421707 1135239349 /nfs/dbraw/zinc/23/93/49/1135239349.db2.gz OXROPHOUMPHRCH-DOTOQJQBSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@@H](CC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2)CC(C)(C)C ZINC001222421707 1135239351 /nfs/dbraw/zinc/23/93/51/1135239351.db2.gz OXROPHOUMPHRCH-DOTOQJQBSA-N 2 1 266.473 3.667 20 0 CHADMP c1ccc(C2(C[N@@H+]3CC[C@@]4(C3)CCCC[NH2+]4)CCCC2)cc1 ZINC001222421434 1135239856 /nfs/dbraw/zinc/23/98/56/1135239856.db2.gz LXVCONVFMGILMV-HXUWFJFHSA-N 2 1 298.474 3.716 20 0 CHADMP c1ccc(C2(C[N@H+]3CC[C@@]4(C3)CCCC[NH2+]4)CCCC2)cc1 ZINC001222421434 1135239860 /nfs/dbraw/zinc/23/98/60/1135239860.db2.gz LXVCONVFMGILMV-HXUWFJFHSA-N 2 1 298.474 3.716 20 0 CHADMP CC(C)(C)c1cccc(C[NH+]2CCC3(CCC[NH2+]3)CC2)c1 ZINC001226783883 1135741744 /nfs/dbraw/zinc/74/17/44/1135741744.db2.gz HRPMGBROZQJDSW-UHFFFAOYSA-N 2 1 286.463 3.702 20 0 CHADMP C[NH+]1CCC2(CCC[N@@H+](CCCCC(F)(F)F)C2)CC1 ZINC000366866723 530051189 /nfs/dbraw/zinc/05/11/89/530051189.db2.gz SAOGERWVKHPAAB-UHFFFAOYSA-N 2 1 292.389 3.527 20 0 CHADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000128429974 260375438 /nfs/dbraw/zinc/37/54/38/260375438.db2.gz ILYUVEVUDZDXAS-CQSZACIVSA-N 2 1 288.357 3.511 20 0 CHADMP CC(C)=CCC[C@H](C)CC[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000574220673 335002249 /nfs/dbraw/zinc/00/22/49/335002249.db2.gz IXTHAAQJXJPVJL-DLBZAZTESA-N 2 1 266.473 3.690 20 0 CHADMP CSc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)s1 ZINC000352838440 532956031 /nfs/dbraw/zinc/95/60/31/532956031.db2.gz FJOYQRCTVKELQF-UHFFFAOYSA-N 2 1 296.505 3.577 20 0 CHADMP CC(C)[N@@H+](C)CCCN[C@H]1C[C@H](C)Sc2sccc21 ZINC000221914854 262323368 /nfs/dbraw/zinc/32/33/68/262323368.db2.gz BIUAQSYVLMXXNS-JSGCOSHPSA-N 2 1 298.521 3.993 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000221914854 262323369 /nfs/dbraw/zinc/32/33/69/262323369.db2.gz BIUAQSYVLMXXNS-JSGCOSHPSA-N 2 1 298.521 3.993 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000221914854 262323371 /nfs/dbraw/zinc/32/33/71/262323371.db2.gz BIUAQSYVLMXXNS-JSGCOSHPSA-N 2 1 298.521 3.993 20 0 CHADMP CC[C@@H](NCC[C@@H]1CCCC[N@H+]1C)c1ccc(F)cc1F ZINC000341854496 130096096 /nfs/dbraw/zinc/09/60/96/130096096.db2.gz CMMCCCLWUYGRPQ-WMLDXEAASA-N 2 1 296.405 3.880 20 0 CHADMP CC[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc(F)cc1F ZINC000341854496 130096099 /nfs/dbraw/zinc/09/60/99/130096099.db2.gz CMMCCCLWUYGRPQ-WMLDXEAASA-N 2 1 296.405 3.880 20 0 CHADMP CC[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(F)cc1F ZINC000341854496 130096100 /nfs/dbraw/zinc/09/61/00/130096100.db2.gz CMMCCCLWUYGRPQ-WMLDXEAASA-N 2 1 296.405 3.880 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](C)c2cccc3ccccc32)CC1 ZINC000020136791 171024614 /nfs/dbraw/zinc/02/46/14/171024614.db2.gz QHFHDKANYIKOHK-HNNXBMFYSA-N 2 1 282.431 3.975 20 0 CHADMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(F)cc1F ZINC000020143372 171028929 /nfs/dbraw/zinc/02/89/29/171028929.db2.gz DIFPBPAOJGCOIZ-NSHDSACASA-N 2 1 296.405 3.925 20 0 CHADMP CC1CCC([NH2+]CCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000021037020 171293025 /nfs/dbraw/zinc/29/30/25/171293025.db2.gz GOOYLWKPEFPJNZ-UHFFFAOYSA-N 2 1 274.452 3.677 20 0 CHADMP C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1F)C[NH+]1CCCCC1 ZINC000038041693 174043618 /nfs/dbraw/zinc/04/36/18/174043618.db2.gz UEYVUYCZDJJMRY-KGLIPLIRSA-N 2 1 296.405 3.737 20 0 CHADMP CC[NH+]1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000038051768 174063517 /nfs/dbraw/zinc/06/35/17/174063517.db2.gz JKOIADXHTQQLKV-UHFFFAOYSA-N 2 1 287.234 3.567 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)C1C(C)(C)C1(C)C ZINC000354511919 227018702 /nfs/dbraw/zinc/01/87/02/227018702.db2.gz WJXXNIPSBDCJNZ-ZDUSSCGKSA-N 2 1 277.456 3.632 20 0 CHADMP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352757023 227207243 /nfs/dbraw/zinc/20/72/43/227207243.db2.gz CYZXIJHIUYVSAZ-GXTWGEPZSA-N 2 1 295.496 3.509 20 0 CHADMP CCc1oc2ccccc2c1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442920583 227212729 /nfs/dbraw/zinc/21/27/29/227212729.db2.gz LTMRMKVXPDDTIP-CQSZACIVSA-N 2 1 286.419 3.556 20 0 CHADMP Cc1ccc(CCC[N@H+](C)C2CCC(C)CC2)cn1 ZINC000353380097 228093255 /nfs/dbraw/zinc/09/32/55/228093255.db2.gz JUVZRHFKPQDYMB-UHFFFAOYSA-N 2 1 260.425 3.833 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1c[nH+]ccc1N ZINC000332575332 228163781 /nfs/dbraw/zinc/16/37/81/228163781.db2.gz CSQVWLMXCZZSRG-BYNSBNAKSA-N 2 1 273.424 3.504 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC000352186178 228195920 /nfs/dbraw/zinc/19/59/20/228195920.db2.gz JQVUAJUQJLBZDT-LJQANCHMSA-N 2 1 297.446 3.635 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC000352186178 228195921 /nfs/dbraw/zinc/19/59/21/228195921.db2.gz JQVUAJUQJLBZDT-LJQANCHMSA-N 2 1 297.446 3.635 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000038098032 260125638 /nfs/dbraw/zinc/12/56/38/260125638.db2.gz QYMHCJSGSNBIQH-SFHVURJKSA-N 2 1 286.463 3.873 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](c2ccc(C)cc2)C2CC2)CC1 ZINC000038098145 260125880 /nfs/dbraw/zinc/12/58/80/260125880.db2.gz DYHLSQGTNNONRE-SFHVURJKSA-N 2 1 272.436 3.520 20 0 CHADMP C([NH2+][C@H]1CCCC12CCCCC2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000313046645 260241142 /nfs/dbraw/zinc/24/11/42/260241142.db2.gz VAAHGDFEDLDYRA-RDJZCZTQSA-N 2 1 276.468 3.563 20 0 CHADMP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)C1CCCC1 ZINC000449164102 260266435 /nfs/dbraw/zinc/26/64/35/260266435.db2.gz OSAAADYIKQLFMP-INIZCTEOSA-N 2 1 263.429 3.530 20 0 CHADMP COc1ccccc1[C@H](C)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000093496494 260290329 /nfs/dbraw/zinc/29/03/29/260290329.db2.gz YMNJIWRPBCSJJE-OWCLPIDISA-N 2 1 290.451 3.657 20 0 CHADMP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCC1 ZINC000313396178 260290998 /nfs/dbraw/zinc/29/09/98/260290998.db2.gz HWZIVTXIWQHMKC-HMQMGEFJSA-N 2 1 264.457 3.560 20 0 CHADMP C[C@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000126541025 260353956 /nfs/dbraw/zinc/35/39/56/260353956.db2.gz OVBOQTJATACSEQ-YZVOILCLSA-N 2 1 284.447 3.699 20 0 CHADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000128447363 260375527 /nfs/dbraw/zinc/37/55/27/260375527.db2.gz LPQVLTAFVVSVLS-CQSZACIVSA-N 2 1 288.357 3.511 20 0 CHADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)c2ccccc21 ZINC000131950003 260429450 /nfs/dbraw/zinc/42/94/50/260429450.db2.gz FEJWGHNWNCJPOM-HZPDHXFCSA-N 2 1 272.779 3.574 20 0 CHADMP CS[C@H](C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000090725414 260466899 /nfs/dbraw/zinc/46/68/99/260466899.db2.gz MKAMMSBBDOIBJM-CHWSQXEVSA-N 2 1 289.448 3.583 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)s1 ZINC000152469443 261064489 /nfs/dbraw/zinc/06/44/89/261064489.db2.gz NEXNQJWPZAZJCI-WCQYABFASA-N 2 1 298.883 3.927 20 0 CHADMP CC(C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000052379076 261089832 /nfs/dbraw/zinc/08/98/32/261089832.db2.gz MRPMKTXGLWVWJM-HNNXBMFYSA-N 2 1 260.425 3.559 20 0 CHADMP CCCC[C@H](CCC)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000161610379 261098752 /nfs/dbraw/zinc/09/87/52/261098752.db2.gz BHKFMHSGXPIIIX-HRCADAONSA-N 2 1 252.446 3.562 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCSc3ccccc32)[C@H](C)C1 ZINC000155396064 261101715 /nfs/dbraw/zinc/10/17/15/261101715.db2.gz JEFMJIQKJPGPDN-VNQPRFMTSA-N 2 1 290.476 3.543 20 0 CHADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000449073534 261149973 /nfs/dbraw/zinc/14/99/73/261149973.db2.gz JBIUELORMSYUQZ-IKGGRYGDSA-N 2 1 278.484 3.665 20 0 CHADMP C[C@H](c1ccccc1F)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173603232 261166487 /nfs/dbraw/zinc/16/64/87/261166487.db2.gz FLABVUKDPKXGQZ-HZPDHXFCSA-N 2 1 290.426 3.695 20 0 CHADMP C[C@H](c1ccccc1F)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173603232 261166490 /nfs/dbraw/zinc/16/64/90/261166490.db2.gz FLABVUKDPKXGQZ-HZPDHXFCSA-N 2 1 290.426 3.695 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2ccccc2Cl)CC[N@H+]1C ZINC000164121411 261341199 /nfs/dbraw/zinc/34/11/99/261341199.db2.gz UCTXWRFVPMTUGV-KGLIPLIRSA-N 2 1 294.870 3.690 20 0 CHADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000518769906 261513962 /nfs/dbraw/zinc/51/39/62/261513962.db2.gz GYNLPJRANJSKFO-IUCAKERBSA-N 2 1 294.748 3.574 20 0 CHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C(F)F)cc3)CC[C@@H]21 ZINC000183961106 262001706 /nfs/dbraw/zinc/00/17/06/262001706.db2.gz FETYAAXHJZPKBY-CVEARBPZSA-N 2 1 294.389 3.540 20 0 CHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C(F)F)cc3)CC[C@@H]21 ZINC000183961106 262001707 /nfs/dbraw/zinc/00/17/07/262001707.db2.gz FETYAAXHJZPKBY-CVEARBPZSA-N 2 1 294.389 3.540 20 0 CHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C(F)F)cc3)CC[C@@H]21 ZINC000183961106 262001708 /nfs/dbraw/zinc/00/17/08/262001708.db2.gz FETYAAXHJZPKBY-CVEARBPZSA-N 2 1 294.389 3.540 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)C1(c2ccccc2)CCCC1 ZINC000186756053 262108980 /nfs/dbraw/zinc/10/89/80/262108980.db2.gz GUDPGXGIVLANTD-INIZCTEOSA-N 2 1 286.463 3.571 20 0 CHADMP CC(C)C[C@H](C)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000499627020 262204473 /nfs/dbraw/zinc/20/44/73/262204473.db2.gz RETPPRISYJQMIG-GVDBMIGSSA-N 2 1 280.500 3.911 20 0 CHADMP CCc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000019993096 262212185 /nfs/dbraw/zinc/21/21/85/262212185.db2.gz UVMHYHSBANQODE-MRXNPFEDSA-N 2 1 274.452 3.603 20 0 CHADMP CC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390693381 262241347 /nfs/dbraw/zinc/24/13/47/262241347.db2.gz BLGVYLQATAAZRS-DOTOQJQBSA-N 2 1 274.452 3.675 20 0 CHADMP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390693381 262241349 /nfs/dbraw/zinc/24/13/49/262241349.db2.gz BLGVYLQATAAZRS-DOTOQJQBSA-N 2 1 274.452 3.675 20 0 CHADMP CC(C)c1ccc(C[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000221785661 262296722 /nfs/dbraw/zinc/29/67/22/262296722.db2.gz PAMHLLIKNZRVTQ-UHFFFAOYSA-N 2 1 262.441 3.630 20 0 CHADMP CC(C)=CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000188443829 262296854 /nfs/dbraw/zinc/29/68/54/262296854.db2.gz FAPVVGIBZKFGJF-AEFFLSMTSA-N 2 1 272.436 3.595 20 0 CHADMP CC(C)[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000390782844 262346119 /nfs/dbraw/zinc/34/61/19/262346119.db2.gz UGKACKAREGMKCS-IEBWSBKVSA-N 2 1 288.479 3.923 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000319700965 262350938 /nfs/dbraw/zinc/35/09/38/262350938.db2.gz TWZTVUHRUZIFTK-UZLBHIALSA-N 2 1 294.442 3.783 20 0 CHADMP CC(C)=CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390905154 262360966 /nfs/dbraw/zinc/36/09/66/262360966.db2.gz RBLUBDZWDQEWKW-GOSISDBHSA-N 2 1 286.463 3.843 20 0 CHADMP CC(C)=CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390905154 262360968 /nfs/dbraw/zinc/36/09/68/262360968.db2.gz RBLUBDZWDQEWKW-GOSISDBHSA-N 2 1 286.463 3.843 20 0 CHADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc(Cl)cs1 ZINC000093093141 262560220 /nfs/dbraw/zinc/56/02/20/262560220.db2.gz LSPINCCQMHZBLM-GFCCVEGCSA-N 2 1 286.872 3.756 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc(Cl)cs1 ZINC000093093141 262560221 /nfs/dbraw/zinc/56/02/21/262560221.db2.gz LSPINCCQMHZBLM-GFCCVEGCSA-N 2 1 286.872 3.756 20 0 CHADMP CCC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C(C)(C)C ZINC000414199282 262817737 /nfs/dbraw/zinc/81/77/37/262817737.db2.gz WRPJWGNOBYHZKC-HUUCEWRRSA-N 2 1 254.462 3.523 20 0 CHADMP [NH3+]C1CC[NH+](Cc2ccc(Sc3ccccc3)cc2)CC1 ZINC000414658398 263022600 /nfs/dbraw/zinc/02/26/00/263022600.db2.gz QQWQMHBIBAURDE-UHFFFAOYSA-N 2 1 298.455 3.761 20 0 CHADMP CC[N@H+](Cc1ccc(Cl)cc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414677043 263030661 /nfs/dbraw/zinc/03/06/61/263030661.db2.gz ODUXDBSFAMOOOL-UKRRQHHQSA-N 2 1 280.843 3.550 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@H+]2C[C@@H]([NH3+])CC(C)C)s1 ZINC000414685985 263032392 /nfs/dbraw/zinc/03/23/92/263032392.db2.gz ADMRAPHIJKUZLQ-KBPBESRZSA-N 2 1 266.454 3.567 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]([NH3+])CC(C)C)s1 ZINC000414685985 263032393 /nfs/dbraw/zinc/03/23/93/263032393.db2.gz ADMRAPHIJKUZLQ-KBPBESRZSA-N 2 1 266.454 3.567 20 0 CHADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC000414703962 263033141 /nfs/dbraw/zinc/03/31/41/263033141.db2.gz VYMQHFBLXPYFGN-IIAWOOMASA-N 2 1 292.854 3.517 20 0 CHADMP CC[N@@H+](Cc1ccc(C2CC2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000414711272 263033784 /nfs/dbraw/zinc/03/37/84/263033784.db2.gz HMZQDTITBUBAOU-GOSISDBHSA-N 2 1 272.436 3.528 20 0 CHADMP C[C@@]1(c2ccccc2)CC[C@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000414760826 263040085 /nfs/dbraw/zinc/04/00/85/263040085.db2.gz HQWZBGIKERKLKY-RBUKOAKNSA-N 2 1 298.474 3.572 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414785705 263047055 /nfs/dbraw/zinc/04/70/55/263047055.db2.gz TUJUBJWXWPUYAF-JKSUJKDBSA-N 2 1 298.430 3.563 20 0 CHADMP CC(C)c1cnc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)s1 ZINC000414804966 263052149 /nfs/dbraw/zinc/05/21/49/263052149.db2.gz FVYXCNMHWIVJCY-GFCCVEGCSA-N 2 1 289.448 3.576 20 0 CHADMP C[C@@H]([NH2+]Cc1c(Cl)oc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000414849630 263065948 /nfs/dbraw/zinc/06/59/48/263065948.db2.gz HKSXSDXUVSBWFP-NEPJUHHUSA-N 2 1 292.810 3.564 20 0 CHADMP CCSc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000293606904 263144143 /nfs/dbraw/zinc/14/41/43/263144143.db2.gz JBNYRYBAOBRFDL-MQVJKMGUSA-N 2 1 290.476 3.513 20 0 CHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3)cc2F)CC[NH2+]1 ZINC000414943588 263153017 /nfs/dbraw/zinc/15/30/17/263153017.db2.gz FORWZYNNUHSYAJ-KBXCAEBGSA-N 2 1 298.405 3.723 20 0 CHADMP C[C@@H](C[NH2+][C@H](C[NH3+])C1CCCC1)c1cccc(Cl)c1 ZINC000415061307 263257187 /nfs/dbraw/zinc/25/71/87/263257187.db2.gz CGTHDBKJTXRNET-BLLLJJGKSA-N 2 1 280.843 3.551 20 0 CHADMP c1cc(C2CC2)ccc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415041068 263257338 /nfs/dbraw/zinc/25/73/38/263257338.db2.gz KVFUGSVVCPMQFV-OALUTQOASA-N 2 1 284.447 3.528 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@@H](C[NH3+])C2CCCC2)C1 ZINC000415072643 263262640 /nfs/dbraw/zinc/26/26/40/263262640.db2.gz YJGOGSXCNRHWOU-FHWLQOOXSA-N 2 1 286.463 3.604 20 0 CHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]CCC(C)(C)C)C1 ZINC000187671152 263265997 /nfs/dbraw/zinc/26/59/97/263265997.db2.gz OEPYKMVYOSPPOI-HNNXBMFYSA-N 2 1 254.462 3.524 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CCCCCc2ccc(F)cc2)CC[N@H+]1C ZINC000187759373 263267894 /nfs/dbraw/zinc/26/78/94/263267894.db2.gz ADECPNNBMJACFG-QAPCUYQASA-N 2 1 292.442 3.611 20 0 CHADMP Cc1ccc(C[NH2+]C2CC[NH2+]CC2)c(Oc2ccccc2)c1 ZINC000415085691 263269431 /nfs/dbraw/zinc/26/94/31/263269431.db2.gz QNIZLPMWMLUKMY-UHFFFAOYSA-N 2 1 296.414 3.629 20 0 CHADMP CCC(C)(C)C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415102139 263273864 /nfs/dbraw/zinc/27/38/64/263273864.db2.gz JLPKWYAFDRPSFZ-HZPDHXFCSA-N 2 1 260.425 3.506 20 0 CHADMP C[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1)C[NH+]1CCCCC1 ZINC000094827103 265259245 /nfs/dbraw/zinc/25/92/45/265259245.db2.gz PYQZGNUPUOOCIY-KBPBESRZSA-N 2 1 296.405 3.737 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000356391288 266106687 /nfs/dbraw/zinc/10/66/87/266106687.db2.gz PRGOILDXDHHTGC-GNISGLHKSA-N 2 1 295.430 3.759 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000356391288 266106690 /nfs/dbraw/zinc/10/66/90/266106690.db2.gz PRGOILDXDHHTGC-GNISGLHKSA-N 2 1 295.430 3.759 20 0 CHADMP C[C@H]1CCC[C@@H](C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)C1 ZINC000356996012 266227562 /nfs/dbraw/zinc/22/75/62/266227562.db2.gz GYULFASNOWBEMY-DOTOQJQBSA-N 2 1 289.467 3.501 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[C@H](C)C2)c1 ZINC000358033845 266402226 /nfs/dbraw/zinc/40/22/26/266402226.db2.gz GQULSBUIIUMFJC-YJBOKZPZSA-N 2 1 274.452 3.805 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CCC3(CC3)CC2)C1 ZINC000362928553 267062667 /nfs/dbraw/zinc/06/26/67/267062667.db2.gz UFGHPAMNAAWHAC-INIZCTEOSA-N 2 1 278.484 3.667 20 0 CHADMP CCCCc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000314802916 267080491 /nfs/dbraw/zinc/08/04/91/267080491.db2.gz NWQLVZJYBFOGLV-OAHLLOKOSA-N 2 1 285.435 3.885 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1nccc2ccccc21 ZINC000368126692 267146371 /nfs/dbraw/zinc/14/63/71/267146371.db2.gz SVSCLYLGRLRQJZ-XIRDDKMYSA-N 2 1 295.430 3.512 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1nccc2ccccc21 ZINC000368126692 267146372 /nfs/dbraw/zinc/14/63/72/267146372.db2.gz SVSCLYLGRLRQJZ-XIRDDKMYSA-N 2 1 295.430 3.512 20 0 CHADMP Cc1ccccc1C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000370534158 267326733 /nfs/dbraw/zinc/32/67/33/267326733.db2.gz RFULLVQBNROCHS-AABGKKOBSA-N 2 1 298.474 3.533 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000532445816 328778843 /nfs/dbraw/zinc/77/88/43/328778843.db2.gz QAWOPMRDCYYLKY-MRXNPFEDSA-N 2 1 280.843 3.649 20 0 CHADMP CC(C)CC[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)C(C)(C)C ZINC000582449991 329008029 /nfs/dbraw/zinc/00/80/29/329008029.db2.gz ZJBCFJTUHRESQO-MRXNPFEDSA-N 2 1 298.515 3.538 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCCC1CCCC1 ZINC000531729109 328024179 /nfs/dbraw/zinc/02/41/79/328024179.db2.gz AEXJQQVMZIAYAH-INMHGKMJSA-N 2 1 266.473 3.665 20 0 CHADMP CC[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000531691486 328024565 /nfs/dbraw/zinc/02/45/65/328024565.db2.gz NFKQCVMBGMJCCK-CVEARBPZSA-N 2 1 274.452 3.807 20 0 CHADMP CC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000531691489 328024772 /nfs/dbraw/zinc/02/47/72/328024772.db2.gz NFKQCVMBGMJCCK-JKSUJKDBSA-N 2 1 274.452 3.807 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C(C)C)C2CC2)c1 ZINC000531702207 328026343 /nfs/dbraw/zinc/02/63/43/328026343.db2.gz KZIGNUNLOSDMKZ-SFHVURJKSA-N 2 1 274.452 3.663 20 0 CHADMP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000531720110 328028503 /nfs/dbraw/zinc/02/85/03/328028503.db2.gz KROIHUGYZWIXIS-JKSUJKDBSA-N 2 1 264.457 3.728 20 0 CHADMP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000531720110 328028504 /nfs/dbraw/zinc/02/85/04/328028504.db2.gz KROIHUGYZWIXIS-JKSUJKDBSA-N 2 1 264.457 3.728 20 0 CHADMP CC(C)CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)C ZINC000531711783 328027728 /nfs/dbraw/zinc/02/77/28/328027728.db2.gz ZPJBRNGRALNBDN-JYJNAYRXSA-N 2 1 268.489 3.910 20 0 CHADMP CC(C)CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)(C)C ZINC000531711783 328027730 /nfs/dbraw/zinc/02/77/30/328027730.db2.gz ZPJBRNGRALNBDN-JYJNAYRXSA-N 2 1 268.489 3.910 20 0 CHADMP C[C@@H]1CC[C@H](c2ccccc2)[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000563362438 328058862 /nfs/dbraw/zinc/05/88/62/328058862.db2.gz AJNASJYAPRRYLN-VQIMIIECSA-N 2 1 297.446 3.826 20 0 CHADMP C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000563362438 328058864 /nfs/dbraw/zinc/05/88/64/328058864.db2.gz AJNASJYAPRRYLN-VQIMIIECSA-N 2 1 297.446 3.826 20 0 CHADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000401827088 328069180 /nfs/dbraw/zinc/06/91/80/328069180.db2.gz HYNPZAHKPYDMDZ-CABCVRRESA-N 2 1 277.456 3.547 20 0 CHADMP CC[N@H+](CCCc1c[nH+]cn1C)Cc1ccc(Cl)cc1 ZINC000565167122 328069219 /nfs/dbraw/zinc/06/92/19/328069219.db2.gz WXWCAISCVKGTTA-UHFFFAOYSA-N 2 1 291.826 3.528 20 0 CHADMP CC[N@@H+](CCCc1c[nH+]cn1C)Cc1ccc(Cl)cc1 ZINC000565167122 328069220 /nfs/dbraw/zinc/06/92/20/328069220.db2.gz WXWCAISCVKGTTA-UHFFFAOYSA-N 2 1 291.826 3.528 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3s2)[C@@H](C)C1 ZINC000571304574 328101248 /nfs/dbraw/zinc/10/12/48/328101248.db2.gz SMMXWYZKPIEGMN-BBRMVZONSA-N 2 1 288.460 3.721 20 0 CHADMP Cn1cncc1CCC[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000571460132 328123141 /nfs/dbraw/zinc/12/31/41/328123141.db2.gz MFPIOOFHQBCEKO-IBGZPJMESA-N 2 1 295.430 3.505 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000571460132 328123143 /nfs/dbraw/zinc/12/31/43/328123143.db2.gz MFPIOOFHQBCEKO-IBGZPJMESA-N 2 1 295.430 3.505 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000571460132 328123144 /nfs/dbraw/zinc/12/31/44/328123144.db2.gz MFPIOOFHQBCEKO-IBGZPJMESA-N 2 1 295.430 3.505 20 0 CHADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(-c2ccccc2)o1 ZINC000271812278 328197620 /nfs/dbraw/zinc/19/76/20/328197620.db2.gz AWCQIMNZONSGEQ-HNNXBMFYSA-N 2 1 296.414 3.859 20 0 CHADMP CCCc1cccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000414654002 328208450 /nfs/dbraw/zinc/20/84/50/328208450.db2.gz FSBFJBNMAIGOJV-UHFFFAOYSA-N 2 1 286.463 3.603 20 0 CHADMP C[C@@H](CCc1ccccc1F)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414842173 328233476 /nfs/dbraw/zinc/23/34/76/328233476.db2.gz NYVZQGHXNOTSOH-KBXCAEBGSA-N 2 1 292.442 3.644 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(C2CC2)c1 ZINC000293753404 328277564 /nfs/dbraw/zinc/27/75/64/328277564.db2.gz OHLFHSBGDZCMHY-JVPBZIDWSA-N 2 1 284.447 3.841 20 0 CHADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C[C@@H](C)C1 ZINC000415081807 328301776 /nfs/dbraw/zinc/30/17/76/328301776.db2.gz CGPOAHFNQDRMNR-PHAGKYIGSA-N 2 1 286.463 3.894 20 0 CHADMP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccccc1 ZINC000453408565 328302847 /nfs/dbraw/zinc/30/28/47/328302847.db2.gz FFNMWRPKLWFHJH-KRWDZBQOSA-N 2 1 260.425 3.602 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC[N@@H+]1C ZINC000534972179 328372242 /nfs/dbraw/zinc/37/22/42/328372242.db2.gz LIZKAWCPXGJDBL-SRCQZFHVSA-N 2 1 292.854 3.790 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC[N@H+]1C ZINC000534972179 328372243 /nfs/dbraw/zinc/37/22/43/328372243.db2.gz LIZKAWCPXGJDBL-SRCQZFHVSA-N 2 1 292.854 3.790 20 0 CHADMP CC[C@@H]1C[N@H+](CCn2cc[nH+]c2C)CC[C@H]1c1ccccc1 ZINC000534954096 328373419 /nfs/dbraw/zinc/37/34/19/328373419.db2.gz JUCDGAXEQVNTRT-IEBWSBKVSA-N 2 1 297.446 3.707 20 0 CHADMP CC[C@@H]1C[N@@H+](CCn2cc[nH+]c2C)CC[C@H]1c1ccccc1 ZINC000534954096 328373421 /nfs/dbraw/zinc/37/34/21/328373421.db2.gz JUCDGAXEQVNTRT-IEBWSBKVSA-N 2 1 297.446 3.707 20 0 CHADMP COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000531993539 328386051 /nfs/dbraw/zinc/38/60/51/328386051.db2.gz BMPVFKSLKFIOHG-HRCADAONSA-N 2 1 290.451 3.527 20 0 CHADMP CC(C)c1ccc([C@H](C)[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261721555 327035197 /nfs/dbraw/zinc/03/51/97/327035197.db2.gz KGSXJCNNIYCPGI-VIBAHUMZSA-N 2 1 272.436 3.540 20 0 CHADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C[C@H](C)c1ccccc1 ZINC000584129320 327047385 /nfs/dbraw/zinc/04/73/85/327047385.db2.gz WVOZJDOJBJWUKG-IXDOHACOSA-N 2 1 274.452 3.500 20 0 CHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C[C@H](C)c1ccccc1 ZINC000584129320 327047387 /nfs/dbraw/zinc/04/73/87/327047387.db2.gz WVOZJDOJBJWUKG-IXDOHACOSA-N 2 1 274.452 3.500 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000558242406 327081079 /nfs/dbraw/zinc/08/10/79/327081079.db2.gz XPMBOGRBHLKKFZ-XFWGSAIBSA-N 2 1 298.474 3.675 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000558242406 327081081 /nfs/dbraw/zinc/08/10/81/327081081.db2.gz XPMBOGRBHLKKFZ-XFWGSAIBSA-N 2 1 298.474 3.675 20 0 CHADMP CC[C@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccccc1 ZINC000558417767 327092672 /nfs/dbraw/zinc/09/26/72/327092672.db2.gz IASVLWIQCGAJOW-YJJAZYOBSA-N 2 1 286.463 3.737 20 0 CHADMP CC[C@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000558417767 327092674 /nfs/dbraw/zinc/09/26/74/327092674.db2.gz IASVLWIQCGAJOW-YJJAZYOBSA-N 2 1 286.463 3.737 20 0 CHADMP CC[C@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000558417767 327092675 /nfs/dbraw/zinc/09/26/75/327092675.db2.gz IASVLWIQCGAJOW-YJJAZYOBSA-N 2 1 286.463 3.737 20 0 CHADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2CCC2CCCCCC2)C1 ZINC000558422938 327093122 /nfs/dbraw/zinc/09/31/22/327093122.db2.gz GRXROEPDEUEJLI-ROUUACIJSA-N 2 1 278.484 3.763 20 0 CHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2CCC2CCCCCC2)C1 ZINC000558422938 327093123 /nfs/dbraw/zinc/09/31/23/327093123.db2.gz GRXROEPDEUEJLI-ROUUACIJSA-N 2 1 278.484 3.763 20 0 CHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2CCC2CCCCCC2)C1 ZINC000558422938 327093124 /nfs/dbraw/zinc/09/31/24/327093124.db2.gz GRXROEPDEUEJLI-ROUUACIJSA-N 2 1 278.484 3.763 20 0 CHADMP Cc1ccncc1CCC[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000573249511 327129563 /nfs/dbraw/zinc/12/95/63/327129563.db2.gz NCDORRBPFFAMAA-DOTOQJQBSA-N 2 1 260.425 3.833 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H]2C=CCCCCC2)C1 ZINC000559105653 327141347 /nfs/dbraw/zinc/14/13/47/327141347.db2.gz GGYKWJKXNQANIX-IAGOWNOFSA-N 2 1 264.457 3.539 20 0 CHADMP C[C@@H](c1ccccc1Cl)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261567164 327142476 /nfs/dbraw/zinc/14/24/76/327142476.db2.gz HPUOHNFHOKPNHY-HZSPNIEDSA-N 2 1 280.843 3.721 20 0 CHADMP CC(C)(C)CCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000410388805 327190823 /nfs/dbraw/zinc/19/08/23/327190823.db2.gz SGUXFKFLNHIRRF-MRXNPFEDSA-N 2 1 266.473 3.621 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(Cl)cc1Cl ZINC000261571145 327353661 /nfs/dbraw/zinc/35/36/61/327353661.db2.gz KWIFSRHAWWMRIG-PKFCDNJMSA-N 2 1 287.234 3.642 20 0 CHADMP CC(C)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000561314199 327385123 /nfs/dbraw/zinc/38/51/23/327385123.db2.gz DIIWWBUTGHTPMT-ARFHVFGLSA-N 2 1 266.473 3.521 20 0 CHADMP CCc1cccnc1[C@@H](C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000507460415 332806708 /nfs/dbraw/zinc/80/67/08/332806708.db2.gz ICLOZTUIEITVSR-CYBMUJFWSA-N 2 1 289.467 3.604 20 0 CHADMP CC(C)c1ccc(CC[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000562958371 327529847 /nfs/dbraw/zinc/52/98/47/327529847.db2.gz GXMGRTAREXKGRU-CQSZACIVSA-N 2 1 283.419 3.511 20 0 CHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000374616634 328995426 /nfs/dbraw/zinc/99/54/26/328995426.db2.gz AXFQGJIUVWRASV-UUXHPUJUSA-N 2 1 298.474 3.990 20 0 CHADMP CC(C)Sc1ccc([C@H](C)NCc2c[nH]cn2)cc1 ZINC000171416378 329075743 /nfs/dbraw/zinc/07/57/43/329075743.db2.gz SHVVTYDKQAAPOD-LBPRGKRZSA-N 2 1 275.421 3.761 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@@H]3CC=CCC3)CC23CC3)cc1 ZINC000582486756 329096620 /nfs/dbraw/zinc/09/66/20/329096620.db2.gz QXPUNPPRLIOAOS-RTBURBONSA-N 2 1 296.458 3.882 20 0 CHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+][C@@H]3CC=CCC3)CC23CC3)cc1 ZINC000582486756 329096622 /nfs/dbraw/zinc/09/66/22/329096622.db2.gz QXPUNPPRLIOAOS-RTBURBONSA-N 2 1 296.458 3.882 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H]3CC=CCC3)CC23CC3)cc1 ZINC000582486754 329096732 /nfs/dbraw/zinc/09/67/32/329096732.db2.gz QXPUNPPRLIOAOS-OALUTQOASA-N 2 1 296.458 3.882 20 0 CHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@H]3CC=CCC3)CC23CC3)cc1 ZINC000582486754 329096734 /nfs/dbraw/zinc/09/67/34/329096734.db2.gz QXPUNPPRLIOAOS-OALUTQOASA-N 2 1 296.458 3.882 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000582554285 329110727 /nfs/dbraw/zinc/11/07/27/329110727.db2.gz IJKIQZTWFFWPAU-UHFFFAOYSA-N 2 1 297.446 3.655 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccccc1)CC1CCC1 ZINC000582554285 329110729 /nfs/dbraw/zinc/11/07/29/329110729.db2.gz IJKIQZTWFFWPAU-UHFFFAOYSA-N 2 1 297.446 3.655 20 0 CHADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccsc2)CC1 ZINC000177836939 329192880 /nfs/dbraw/zinc/19/28/80/329192880.db2.gz SOUVSRJLNXJQGZ-CYBMUJFWSA-N 2 1 266.454 3.519 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000178696828 329202301 /nfs/dbraw/zinc/20/23/01/329202301.db2.gz KROVYJOWWCJHBM-HUUCEWRRSA-N 2 1 285.435 3.741 20 0 CHADMP Cc1occc1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000321021998 329214321 /nfs/dbraw/zinc/21/43/21/329214321.db2.gz WBRSTOIGWZKOOK-DNVCBOLYSA-N 2 1 298.430 3.588 20 0 CHADMP Cc1occc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000321021998 329214323 /nfs/dbraw/zinc/21/43/23/329214323.db2.gz WBRSTOIGWZKOOK-DNVCBOLYSA-N 2 1 298.430 3.588 20 0 CHADMP Cc1cc([C@H](C)NCCC[N@H+](C)C(C)C)c(C)s1 ZINC000221910821 329215857 /nfs/dbraw/zinc/21/58/57/329215857.db2.gz GTHYVPNXNRPOGH-ZDUSSCGKSA-N 2 1 268.470 3.746 20 0 CHADMP Cc1cc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c(C)s1 ZINC000221910821 329215859 /nfs/dbraw/zinc/21/58/59/329215859.db2.gz GTHYVPNXNRPOGH-ZDUSSCGKSA-N 2 1 268.470 3.746 20 0 CHADMP Cc1cc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)c(C)s1 ZINC000221910821 329215860 /nfs/dbraw/zinc/21/58/60/329215860.db2.gz GTHYVPNXNRPOGH-ZDUSSCGKSA-N 2 1 268.470 3.746 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000180442741 329217267 /nfs/dbraw/zinc/21/72/67/329217267.db2.gz AUEDCDFPLVUACC-VCBZYWHSSA-N 2 1 297.446 3.659 20 0 CHADMP C[C@@H](CCC1CC1)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000469797357 329245540 /nfs/dbraw/zinc/24/55/40/329245540.db2.gz AXBUDUJHZQBPSD-INIZCTEOSA-N 2 1 286.463 3.603 20 0 CHADMP C[C@@H](CCC1CC1)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000469797357 329245541 /nfs/dbraw/zinc/24/55/41/329245541.db2.gz AXBUDUJHZQBPSD-INIZCTEOSA-N 2 1 286.463 3.603 20 0 CHADMP CC(C)=CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183682230 329249325 /nfs/dbraw/zinc/24/93/25/329249325.db2.gz JWALMPJZKRHBTJ-AWEZNQCLSA-N 2 1 269.392 3.798 20 0 CHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C(C2CC2)C2CC2)CC1 ZINC000125069555 329577273 /nfs/dbraw/zinc/57/72/73/329577273.db2.gz YXRIPBROHSWFDO-HNNXBMFYSA-N 2 1 298.474 3.990 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1c2cc(C)ccc2C[C@H]1C ZINC000245878065 329757271 /nfs/dbraw/zinc/75/72/71/329757271.db2.gz AUEDCDFPLVUACC-QMTMVMCOSA-N 2 1 297.446 3.659 20 0 CHADMP Clc1cccc(Cl)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262133403 330000185 /nfs/dbraw/zinc/00/01/85/330000185.db2.gz YLQVPENQQQSKGY-UHFFFAOYSA-N 2 1 299.245 3.569 20 0 CHADMP c1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc(C2CC2)c1 ZINC000422550834 330148988 /nfs/dbraw/zinc/14/89/88/330148988.db2.gz BZTDUNDNWPOYME-MOPGFXCFSA-N 2 1 284.447 3.528 20 0 CHADMP CCOc1cccc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422785097 330155020 /nfs/dbraw/zinc/15/50/20/330155020.db2.gz QSQPCOKGLRQCAU-MJXNMMHHSA-N 2 1 296.414 3.881 20 0 CHADMP c1ccc([C@H]2C[C@H]([NH2+]CCC3CCCC3)CC[NH2+]2)cc1 ZINC000422801024 330155588 /nfs/dbraw/zinc/15/55/88/330155588.db2.gz DKCREMWILSLLIW-QZTJIDSGSA-N 2 1 272.436 3.650 20 0 CHADMP Cc1cccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000422810150 330156216 /nfs/dbraw/zinc/15/62/16/330156216.db2.gz SVUIWHPJCHEZHY-OALUTQOASA-N 2 1 280.415 3.578 20 0 CHADMP C[C@@H]([NH2+]Cc1ccccc1Sc1ccccc1)C1C[NH2+]C1 ZINC000422890626 330159240 /nfs/dbraw/zinc/15/92/40/330159240.db2.gz SQTHBGXNRCCLNK-CQSZACIVSA-N 2 1 298.455 3.535 20 0 CHADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422941249 330161756 /nfs/dbraw/zinc/16/17/56/330161756.db2.gz UTESFAIVNOBRAK-CEXWTWQISA-N 2 1 278.399 3.717 20 0 CHADMP CC1(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CCCC1 ZINC000422952059 330163961 /nfs/dbraw/zinc/16/39/61/330163961.db2.gz BLTMJTPPCCAALJ-IRXDYDNUSA-N 2 1 272.436 3.650 20 0 CHADMP C[C@H](CCc1ccco1)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422968629 330164479 /nfs/dbraw/zinc/16/44/79/330164479.db2.gz XJGDYCJNVSBZFT-AYBZRNKSSA-N 2 1 298.430 3.684 20 0 CHADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000423024754 330165958 /nfs/dbraw/zinc/16/59/58/330165958.db2.gz MMMSKLGUANBFTN-KWBADKCTSA-N 2 1 292.320 3.535 20 0 CHADMP CSCc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000423059653 330167648 /nfs/dbraw/zinc/16/76/48/330167648.db2.gz MJFXJOQKMSMRMN-ROUUACIJSA-N 2 1 298.455 3.784 20 0 CHADMP Cc1cscc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423090989 330169233 /nfs/dbraw/zinc/16/92/33/330169233.db2.gz WOAHSKBASZIJHI-IRXDYDNUSA-N 2 1 286.444 3.639 20 0 CHADMP Cc1cc2cc(C[NH2+][C@H]3C[C@@H]([NH3+])c4ccccc43)ccc2[nH]1 ZINC000423101152 330170076 /nfs/dbraw/zinc/17/00/76/330170076.db2.gz CNRPJWGKGQKFQA-MJGOQNOKSA-N 2 1 291.398 3.711 20 0 CHADMP C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2Cl)C1)[C@@H]1CCCC[NH2+]1 ZINC000423143216 330172651 /nfs/dbraw/zinc/17/26/51/330172651.db2.gz CPGZQBLFWVGRAD-WBOJAVRRSA-N 2 1 292.854 3.706 20 0 CHADMP Cc1cc([C@@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)ccc1F ZINC000423144804 330172667 /nfs/dbraw/zinc/17/26/67/330172667.db2.gz ICCHHTCJNGBXTH-PJSAGSTRSA-N 2 1 284.378 3.930 20 0 CHADMP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423157606 330173468 /nfs/dbraw/zinc/17/34/68/330173468.db2.gz BGPQNFDFVNXTLW-YDZRNGNQSA-N 2 1 286.463 3.894 20 0 CHADMP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423160117 330173562 /nfs/dbraw/zinc/17/35/62/330173562.db2.gz GXVMWCXNXLRXFL-WCXIOVBPSA-N 2 1 258.409 3.546 20 0 CHADMP [NH3+]CC[NH2+][C@H](CCc1ccccc1Cl)c1ccccc1 ZINC000423193009 330175981 /nfs/dbraw/zinc/17/59/81/330175981.db2.gz WDWRBBWQEZAQRW-QGZVFWFLSA-N 2 1 288.822 3.562 20 0 CHADMP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cccc(Cl)c1F ZINC000423221919 330179872 /nfs/dbraw/zinc/17/98/72/330179872.db2.gz YRTGXGGXKPLKDY-HUBLWGQQSA-N 2 1 298.833 3.908 20 0 CHADMP c1ccc2c(c1)sc1c2CCC[C@@H]1[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423233530 330181149 /nfs/dbraw/zinc/18/11/49/330181149.db2.gz KCJOCTZDDXWFAZ-DOMZBBRYSA-N 2 1 286.444 3.620 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000423267134 330183984 /nfs/dbraw/zinc/18/39/84/330183984.db2.gz SUVXDEXXBKZMIY-HNAYVOBHSA-N 2 1 297.446 3.773 20 0 CHADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1nccc2ccccc21 ZINC000423264734 330184050 /nfs/dbraw/zinc/18/40/50/330184050.db2.gz QHDWDHQMYKVONU-RDTXWAMCSA-N 2 1 297.446 3.793 20 0 CHADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423268584 330184523 /nfs/dbraw/zinc/18/45/23/330184523.db2.gz UVHADGCZFUMEBF-AAEUAGOBSA-N 2 1 283.485 3.599 20 0 CHADMP [NH3+]C[C@H]([NH2+][C@@H]1CCSc2ccccc21)C1CCCCC1 ZINC000423272124 330184615 /nfs/dbraw/zinc/18/46/15/330184615.db2.gz YNICFBOZTOTMSR-CVEARBPZSA-N 2 1 290.476 3.721 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423272884 330184728 /nfs/dbraw/zinc/18/47/28/330184728.db2.gz ZPKOXAXQYXQFAS-BXUZGUMPSA-N 2 1 288.357 3.729 20 0 CHADMP [NH3+]C[C@H]([NH2+][C@@H]1CCC[C@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000423281319 330185387 /nfs/dbraw/zinc/18/53/87/330185387.db2.gz UGAIKEJKVSPSMJ-UAGQMJEPSA-N 2 1 292.854 3.693 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000423288017 330185960 /nfs/dbraw/zinc/18/59/60/330185960.db2.gz PYBUZFHHIAWNST-LLVKDONJSA-N 2 1 254.805 3.508 20 0 CHADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(-c2ccccc2F)s1 ZINC000423287473 330185962 /nfs/dbraw/zinc/18/59/62/330185962.db2.gz MNBRWUUAYVAPCY-NSHDSACASA-N 2 1 292.423 3.942 20 0 CHADMP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000423286303 330186020 /nfs/dbraw/zinc/18/60/20/330186020.db2.gz GMOFJDQFKHQFRG-LLVKDONJSA-N 2 1 289.448 3.506 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cc(C)sc1C ZINC000423287012 330186044 /nfs/dbraw/zinc/18/60/44/330186044.db2.gz JWEQFRFEKBMBHF-NSHDSACASA-N 2 1 254.443 3.533 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(SC)c(OC)c1 ZINC000423289420 330186350 /nfs/dbraw/zinc/18/63/50/330186350.db2.gz XEWXEXJUPYCPGZ-LBPRGKRZSA-N 2 1 296.480 3.585 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000423289531 330186466 /nfs/dbraw/zinc/18/64/66/330186466.db2.gz XKHDJQBARIYYHH-LBPRGKRZSA-N 2 1 266.454 3.577 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000423295037 330188368 /nfs/dbraw/zinc/18/83/68/330188368.db2.gz DHIJFVYGGDZHQC-ZACQAIPSSA-N 2 1 278.415 3.569 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000423297196 330188650 /nfs/dbraw/zinc/18/86/50/330188650.db2.gz JDIVQGWTCQUMDN-HNAYVOBHSA-N 2 1 297.446 3.917 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000423297197 330188688 /nfs/dbraw/zinc/18/86/88/330188688.db2.gz JDIVQGWTCQUMDN-KXBFYZLASA-N 2 1 297.446 3.917 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000423297195 330188719 /nfs/dbraw/zinc/18/87/19/330188719.db2.gz JDIVQGWTCQUMDN-DNVCBOLYSA-N 2 1 297.446 3.917 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1SC ZINC000423297804 330188756 /nfs/dbraw/zinc/18/87/56/330188756.db2.gz LYEFFCPFHJTFBY-STQMWFEESA-N 2 1 266.454 3.577 20 0 CHADMP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000423298410 330189103 /nfs/dbraw/zinc/18/91/03/330189103.db2.gz OIPBMXOWJTZOMK-YUMQZZPRSA-N 2 1 295.641 3.892 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(-c2ccccc2)s1 ZINC000423314444 330189746 /nfs/dbraw/zinc/18/97/46/330189746.db2.gz HGTWBMVXYHFZMS-IUODEOHRSA-N 2 1 286.444 3.803 20 0 CHADMP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1Cl ZINC000423325103 330189775 /nfs/dbraw/zinc/18/97/75/330189775.db2.gz QBCFWPRGNQPSBJ-ABAIWWIYSA-N 2 1 296.842 3.515 20 0 CHADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(-c2ccccc2)s1 ZINC000423314443 330189876 /nfs/dbraw/zinc/18/98/76/330189876.db2.gz HGTWBMVXYHFZMS-DOMZBBRYSA-N 2 1 286.444 3.803 20 0 CHADMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(F)cc1Cl ZINC000423327549 330190724 /nfs/dbraw/zinc/19/07/24/330190724.db2.gz LJGVTQPCKVUZID-IAQYHMDHSA-N 2 1 284.806 3.519 20 0 CHADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc(-c2ccccc2)c1 ZINC000423330082 330191203 /nfs/dbraw/zinc/19/12/03/330191203.db2.gz TVXKNCLCSNHFHP-KUHUBIRLSA-N 2 1 280.415 3.742 20 0 CHADMP CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cc(Cl)ccc1OC ZINC000423353211 330193114 /nfs/dbraw/zinc/19/31/14/330193114.db2.gz BFVDOYRCHGUOGS-HIFRSBDPSA-N 2 1 296.842 3.531 20 0 CHADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000423378079 330198835 /nfs/dbraw/zinc/19/88/35/330198835.db2.gz MDWBXPODQJRUHQ-GVXVVHGQSA-N 2 1 295.496 3.540 20 0 CHADMP Cc1ccc2cc([C@H](C)[NH2+][C@H]3CC[NH2+][C@H](C)C3)oc2c1 ZINC000423377719 330198877 /nfs/dbraw/zinc/19/88/77/330198877.db2.gz KGPLMQIMXRWYBM-IPYPFGDCSA-N 2 1 272.392 3.532 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(-c2ccccc2)o1 ZINC000423383364 330199371 /nfs/dbraw/zinc/19/93/71/330199371.db2.gz FAJDTLIYPNJMKU-OFQRWUPVSA-N 2 1 284.403 3.595 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cc(Cl)sc1Cl ZINC000423389813 330200376 /nfs/dbraw/zinc/20/03/76/330200376.db2.gz OKZZMJHDVUPZLN-XHNCKOQMSA-N 2 1 293.263 3.975 20 0 CHADMP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000423436613 330201419 /nfs/dbraw/zinc/20/14/19/330201419.db2.gz FKHVSCRAOZTZRS-KKUMJFAQSA-N 2 1 298.430 3.749 20 0 CHADMP C[C@@H]([NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1)[C@H](C)[NH3+] ZINC000423437087 330201499 /nfs/dbraw/zinc/20/14/99/330201499.db2.gz FWELDSOYEOEGOY-ATEUNZGCSA-N 2 1 287.234 3.770 20 0 CHADMP CCCCCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000423450697 330202923 /nfs/dbraw/zinc/20/29/23/330202923.db2.gz UAAWCTJZJIEXNH-ZNMIVQPWSA-N 2 1 278.440 3.642 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1)[C@H](C)[NH3+] ZINC000423453507 330203136 /nfs/dbraw/zinc/20/31/36/330203136.db2.gz XSVBKBFLGZOWAP-ZNMIVQPWSA-N 2 1 268.404 3.740 20 0 CHADMP CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000423454761 330203423 /nfs/dbraw/zinc/20/34/23/330203423.db2.gz ZNQHNWFFUQZVJR-RWEMILLDSA-N 2 1 275.223 3.770 20 0 CHADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-c2ccccc2)s1 ZINC000423456985 330203534 /nfs/dbraw/zinc/20/35/34/330203534.db2.gz FCHYRJGZBTVZBH-JSGCOSHPSA-N 2 1 274.433 3.803 20 0 CHADMP CSc1ccccc1[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423500162 330208127 /nfs/dbraw/zinc/20/81/27/330208127.db2.gz KDXLAPGTKISQHC-IUODEOHRSA-N 2 1 278.465 3.577 20 0 CHADMP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@@H](C)c1ccccc1 ZINC000423501364 330208498 /nfs/dbraw/zinc/20/84/98/330208498.db2.gz DIVBDVNAHUEETE-GIYDNNGJSA-N 2 1 294.442 3.524 20 0 CHADMP Cc1cc2cc([C@H](C)[NH2+]CCC[NH2+]C3CC3)oc2cc1C ZINC000423531810 330210182 /nfs/dbraw/zinc/21/01/82/330210182.db2.gz UILBRLKZUDRXPR-AWEZNQCLSA-N 2 1 286.419 3.842 20 0 CHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000423529653 330210199 /nfs/dbraw/zinc/21/01/99/330210199.db2.gz QFEZOISODRSIRB-ZDUSSCGKSA-N 2 1 272.392 3.534 20 0 CHADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(Cl)s1 ZINC000423536240 330210524 /nfs/dbraw/zinc/21/05/24/330210524.db2.gz ZCJCVCXFHVYDQD-MWLCHTKSSA-N 2 1 272.845 3.570 20 0 CHADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cc2ccccc2o1 ZINC000423534822 330210529 /nfs/dbraw/zinc/21/05/29/330210529.db2.gz WTITUKZCUHJTTR-DOMZBBRYSA-N 2 1 272.392 3.601 20 0 CHADMP Cc1ccc2cc([C@@H](C)[NH2+]CCC[NH2+]C3CC3)oc2c1 ZINC000423545773 330211392 /nfs/dbraw/zinc/21/13/92/330211392.db2.gz DRIVFDCWWFQHPT-CYBMUJFWSA-N 2 1 272.392 3.534 20 0 CHADMP CC(C)[C@@H](C[NH2+]C[C@H](C)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000527115812 330222640 /nfs/dbraw/zinc/22/26/40/330222640.db2.gz MRTNHZVFZQZDDY-MAUKXSAKSA-N 2 1 292.442 3.639 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000527227747 330238958 /nfs/dbraw/zinc/23/89/58/330238958.db2.gz XLBDBOPNYCBHNO-HNNXBMFYSA-N 2 1 296.405 3.834 20 0 CHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]CC2(F)CC2)C1 ZINC000527514230 330255900 /nfs/dbraw/zinc/25/59/00/330255900.db2.gz FZMCLQDBGCFPTR-HNNXBMFYSA-N 2 1 290.426 3.510 20 0 CHADMP CC(C)Cc1ccccc1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000527735671 330278880 /nfs/dbraw/zinc/27/88/80/330278880.db2.gz YODSZTBWHAXADV-UHFFFAOYSA-N 2 1 297.446 3.636 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](c2cccc(C)c2)C(C)C)CC1 ZINC000527843171 330287457 /nfs/dbraw/zinc/28/74/57/330287457.db2.gz AXZZHTVNFQSVIG-GOSISDBHSA-N 2 1 274.452 3.766 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)[C@@H]2CC23CC3)cc1F ZINC000527851848 330288490 /nfs/dbraw/zinc/28/84/90/330288490.db2.gz MWPYADKNAMARJM-WFASDCNBSA-N 2 1 299.393 3.598 20 0 CHADMP C[NH+](C)[C@H]1CCC[C@H](Nc2[nH+]ccc3ccccc32)C1 ZINC000527917655 330295354 /nfs/dbraw/zinc/29/53/54/330295354.db2.gz YBHYNEOAEVBRRY-GJZGRUSLSA-N 2 1 269.392 3.520 20 0 CHADMP CCc1ccc([C@H](CC)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044533995 330329653 /nfs/dbraw/zinc/32/96/53/330329653.db2.gz UYFCMRFGFKIMFL-AEFFLSMTSA-N 2 1 274.452 3.632 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000044534438 330329740 /nfs/dbraw/zinc/32/97/40/330329740.db2.gz IJKIHVIUJMJNFI-XJKSGUPXSA-N 2 1 280.843 3.723 20 0 CHADMP CC(C)C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000044534780 330330043 /nfs/dbraw/zinc/33/00/43/330330043.db2.gz MIIWXDBJIZARBD-FUHWJXTLSA-N 2 1 274.452 3.705 20 0 CHADMP Cc1cc(Cl)ccc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424387609 330349849 /nfs/dbraw/zinc/34/98/49/330349849.db2.gz YPTDBBPLCCTWQS-CQSZACIVSA-N 2 1 292.854 3.612 20 0 CHADMP CC[C@@H]1CCCC[C@H]1[N@@H+](C)CCCCn1ccnc1C ZINC000120780747 330391377 /nfs/dbraw/zinc/39/13/77/330391377.db2.gz DZZVGQCRIKNCSP-IAGOWNOFSA-N 2 1 277.456 3.872 20 0 CHADMP CC[C@@H]1CCCC[C@H]1[N@H+](C)CCCCn1cc[nH+]c1C ZINC000120780747 330391378 /nfs/dbraw/zinc/39/13/78/330391378.db2.gz DZZVGQCRIKNCSP-IAGOWNOFSA-N 2 1 277.456 3.872 20 0 CHADMP CC[C@@H]1CCCC[C@H]1[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000120780747 330391379 /nfs/dbraw/zinc/39/13/79/330391379.db2.gz DZZVGQCRIKNCSP-IAGOWNOFSA-N 2 1 277.456 3.872 20 0 CHADMP CCC(CC)[C@H]([NH2+]CCn1cc[nH+]c1C)c1ccccc1 ZINC000537052168 330395042 /nfs/dbraw/zinc/39/50/42/330395042.db2.gz VEKJJUNOTJCJOR-SFHVURJKSA-N 2 1 285.435 3.959 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@@H]2CCc3sc(Cl)cc32)CC1 ZINC000129498391 330396370 /nfs/dbraw/zinc/39/63/70/330396370.db2.gz YSFCTZGCNVXLAS-CYBMUJFWSA-N 2 1 298.883 3.853 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000436283814 330673295 /nfs/dbraw/zinc/67/32/95/330673295.db2.gz WBJYPOQKLCHGHW-NXHRZFHOSA-N 2 1 274.452 3.643 20 0 CHADMP CC(C)[NH+](CC[NH2+][C@@H](C)CCCC(F)(F)F)C(C)C ZINC000163183365 330997008 /nfs/dbraw/zinc/99/70/08/330997008.db2.gz XMCIGLOCCUKXLI-ZDUSSCGKSA-N 2 1 282.394 3.816 20 0 CHADMP CCCn1ccnc1CCC[N@@H+](C)[C@H](C)CC(C)C ZINC000450854849 331003026 /nfs/dbraw/zinc/00/30/26/331003026.db2.gz LEZOXWILHRPBIK-OAHLLOKOSA-N 2 1 265.445 3.592 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)CC(C)C ZINC000450854849 331003027 /nfs/dbraw/zinc/00/30/27/331003027.db2.gz LEZOXWILHRPBIK-OAHLLOKOSA-N 2 1 265.445 3.592 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)CC(C)C ZINC000450854849 331003028 /nfs/dbraw/zinc/00/30/28/331003028.db2.gz LEZOXWILHRPBIK-OAHLLOKOSA-N 2 1 265.445 3.592 20 0 CHADMP C[N@H+]1CCC[C@@]2(CC[NH+](CC/C=C/c3ccccc3)C2)C1 ZINC000451065463 331014691 /nfs/dbraw/zinc/01/46/91/331014691.db2.gz ANJODZXWCCFKFU-CEQQRPIWSA-N 2 1 284.447 3.508 20 0 CHADMP C[NH+]1CCC[C@@]2(CC[N@H+](CC/C=C/c3ccccc3)C2)C1 ZINC000451065463 331014692 /nfs/dbraw/zinc/01/46/92/331014692.db2.gz ANJODZXWCCFKFU-CEQQRPIWSA-N 2 1 284.447 3.508 20 0 CHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CC/C=C/c3ccccc3)C2)C1 ZINC000451065463 331014693 /nfs/dbraw/zinc/01/46/93/331014693.db2.gz ANJODZXWCCFKFU-CEQQRPIWSA-N 2 1 284.447 3.508 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@@H](C)c2ccsc21 ZINC000453055295 331085008 /nfs/dbraw/zinc/08/50/08/331085008.db2.gz CKYVYZNQLIQYES-IUODEOHRSA-N 2 1 289.448 3.871 20 0 CHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000453069957 331086408 /nfs/dbraw/zinc/08/64/08/331086408.db2.gz ZMEUPIFHYAQHGS-MAUKXSAKSA-N 2 1 278.484 3.667 20 0 CHADMP CC[C@H]([NH2+]CCC[NH+](C(C)C)C(C)C)c1ccncc1 ZINC000453117727 331090839 /nfs/dbraw/zinc/09/08/39/331090839.db2.gz KQMLKTDUZYAAEQ-KRWDZBQOSA-N 2 1 277.456 3.631 20 0 CHADMP CC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccsc1 ZINC000453229625 331104269 /nfs/dbraw/zinc/10/42/69/331104269.db2.gz VGRAKUYFYNYGFS-GPANFISMSA-N 2 1 278.465 3.806 20 0 CHADMP C[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)CC[N@@H+]1C ZINC000453284621 331111004 /nfs/dbraw/zinc/11/10/04/331111004.db2.gz LMUVNNCAPBSFOY-FQUUOJAGSA-N 2 1 292.389 3.570 20 0 CHADMP C[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)CC[N@H+]1C ZINC000453284621 331111005 /nfs/dbraw/zinc/11/10/05/331111005.db2.gz LMUVNNCAPBSFOY-FQUUOJAGSA-N 2 1 292.389 3.570 20 0 CHADMP CSc1ccccc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000453371861 331124124 /nfs/dbraw/zinc/12/41/24/331124124.db2.gz VXSSDZXUVUGKOE-FFHGMXDLSA-N 2 1 290.476 3.684 20 0 CHADMP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453393723 331127645 /nfs/dbraw/zinc/12/76/45/331127645.db2.gz FZZWUVNBMZUBOX-SCLBCKFNSA-N 2 1 290.426 3.523 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1)C1CC1 ZINC000453400996 331128628 /nfs/dbraw/zinc/12/86/28/331128628.db2.gz MNDVCVAXWMWHIH-ZWKOTPCHSA-N 2 1 286.463 3.787 20 0 CHADMP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)C1CCCCC1 ZINC000453402783 331128907 /nfs/dbraw/zinc/12/89/07/331128907.db2.gz NWSORBRLHXTJGU-KRWDZBQOSA-N 2 1 266.473 3.809 20 0 CHADMP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc(F)ccc1F ZINC000453410020 331129866 /nfs/dbraw/zinc/12/98/66/331129866.db2.gz UPDWYEGCXUSYSF-KRWDZBQOSA-N 2 1 296.405 3.880 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000453444959 331132119 /nfs/dbraw/zinc/13/21/19/331132119.db2.gz ZIZQUFCUFOEUKK-OAHLLOKOSA-N 2 1 260.425 3.520 20 0 CHADMP CCCC[N@@H+](CCc1cncn1C)[C@H](C)c1ccccc1 ZINC000459326639 331276375 /nfs/dbraw/zinc/27/63/75/331276375.db2.gz NDXNNKAIISTGMQ-MRXNPFEDSA-N 2 1 285.435 3.826 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2cccc(Cl)c2)[C@@H](C)C1 ZINC000459376898 331279089 /nfs/dbraw/zinc/27/90/89/331279089.db2.gz ODGGLXJCQYDQLE-YOEHRIQHSA-N 2 1 294.870 3.545 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2cccc(Cl)c2)[C@@H](C)C1 ZINC000459376898 331279090 /nfs/dbraw/zinc/27/90/90/331279090.db2.gz ODGGLXJCQYDQLE-YOEHRIQHSA-N 2 1 294.870 3.545 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2cccc(Cl)c2)[C@@H](C)C1 ZINC000459376898 331279091 /nfs/dbraw/zinc/27/90/91/331279091.db2.gz ODGGLXJCQYDQLE-YOEHRIQHSA-N 2 1 294.870 3.545 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C2CC3(CCC3)C2)c1 ZINC000459401374 331280085 /nfs/dbraw/zinc/28/00/85/331280085.db2.gz XPFCAWOYHLOHJZ-UHFFFAOYSA-N 2 1 286.463 3.949 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000459420544 331280636 /nfs/dbraw/zinc/28/06/36/331280636.db2.gz CSUPEOZCTOKSOE-QQFBHYJXSA-N 2 1 266.473 3.521 20 0 CHADMP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000459466664 331283235 /nfs/dbraw/zinc/28/32/35/331283235.db2.gz JWLZZJJNWXNABD-INIZCTEOSA-N 2 1 298.474 3.797 20 0 CHADMP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000459466664 331283236 /nfs/dbraw/zinc/28/32/36/331283236.db2.gz JWLZZJJNWXNABD-INIZCTEOSA-N 2 1 298.474 3.797 20 0 CHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(-c3ccccc3)o2)C1 ZINC000459725168 331295975 /nfs/dbraw/zinc/29/59/75/331295975.db2.gz FQIOBJWNRXQDQK-INIZCTEOSA-N 2 1 298.430 3.768 20 0 CHADMP C[C@@H](C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000459727071 331296107 /nfs/dbraw/zinc/29/61/07/331296107.db2.gz CDOBOPAMGNWQFT-GJZGRUSLSA-N 2 1 294.870 3.765 20 0 CHADMP Cc1cccc(CC[C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000459729684 331296407 /nfs/dbraw/zinc/29/64/07/331296407.db2.gz DILDNPYRCFKHIX-IEBWSBKVSA-N 2 1 288.479 3.638 20 0 CHADMP CCC[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459734962 331296916 /nfs/dbraw/zinc/29/69/16/331296916.db2.gz HFTYCFDXCCVOJM-RTBURBONSA-N 2 1 288.479 3.719 20 0 CHADMP C[C@H](CCc1ccccc1)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459739398 331297264 /nfs/dbraw/zinc/29/72/64/331297264.db2.gz SMJVMPSCCFNLGK-IEBWSBKVSA-N 2 1 288.479 3.577 20 0 CHADMP CC[C@@H](C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000459740349 331297363 /nfs/dbraw/zinc/29/73/63/331297363.db2.gz UCSLXBGBHSHFJT-SJORKVTESA-N 2 1 274.452 3.502 20 0 CHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@H]2c2ccccc2)C1 ZINC000459793170 331301319 /nfs/dbraw/zinc/30/13/19/331301319.db2.gz SYTYUPPNPVIUQX-NEWSRXKRSA-N 2 1 286.463 3.644 20 0 CHADMP Cc1ccc([C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C2CC2)cc1 ZINC000459793958 331301375 /nfs/dbraw/zinc/30/13/75/331301375.db2.gz UFZLTPDMIGUABY-APWZRJJASA-N 2 1 286.463 3.768 20 0 CHADMP C[C@H](CC[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000459797491 331301508 /nfs/dbraw/zinc/30/15/08/331301508.db2.gz WTZZUMFMFYVAJE-SJORKVTESA-N 2 1 274.452 3.502 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)[C@H](C)C1 ZINC000462118271 331317727 /nfs/dbraw/zinc/31/77/27/331317727.db2.gz DKZZEUADNVTNLG-ICUGJSFKSA-N 2 1 278.484 3.665 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)CC(C)(C)C1 ZINC000462751636 331327425 /nfs/dbraw/zinc/32/74/25/331327425.db2.gz ZSYGEPICBJHTPG-BZUAXINKSA-N 2 1 278.484 3.808 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)CC(C)(C)C1 ZINC000462751636 331327426 /nfs/dbraw/zinc/32/74/26/331327426.db2.gz ZSYGEPICBJHTPG-BZUAXINKSA-N 2 1 278.484 3.808 20 0 CHADMP C[C@@H]1CCC[C@H](CC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000464888500 331372843 /nfs/dbraw/zinc/37/28/43/331372843.db2.gz FBFLSVFPCBQXHV-YYIAUSFCSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@@H]1CCC[C@H](CC[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000464888500 331372844 /nfs/dbraw/zinc/37/28/44/331372844.db2.gz FBFLSVFPCBQXHV-YYIAUSFCSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@@H]1CCC[C@H](CC[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000464888500 331372845 /nfs/dbraw/zinc/37/28/45/331372845.db2.gz FBFLSVFPCBQXHV-YYIAUSFCSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@@H]1CCC[C@H](CC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000464888500 331372846 /nfs/dbraw/zinc/37/28/46/331372846.db2.gz FBFLSVFPCBQXHV-YYIAUSFCSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC000466359504 331393331 /nfs/dbraw/zinc/39/33/31/331393331.db2.gz OQODJKNEYLZAGG-HUUCEWRRSA-N 2 1 266.473 3.523 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000510685152 332911540 /nfs/dbraw/zinc/91/15/40/332911540.db2.gz JVLSTRQBBUOFAZ-UONOGXRCSA-N 2 1 298.421 3.606 20 0 CHADMP CC(C)[NH+](CC[NH2+][C@H]1CCC[C@@H]1CCCF)C(C)C ZINC000510702247 332912496 /nfs/dbraw/zinc/91/24/96/332912496.db2.gz LVTDKUZITCPFCC-CVEARBPZSA-N 2 1 272.452 3.613 20 0 CHADMP Cc1ccc(N2CCC([NH2+][C@H]3CC[C@@H]3C3CCC3)CC2)[nH+]c1 ZINC000510712699 332913041 /nfs/dbraw/zinc/91/30/41/332913041.db2.gz IHROLYLAFJWIJL-MSOLQXFVSA-N 2 1 299.462 3.527 20 0 CHADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1CCCF)[NH+]1CCCC1 ZINC000510755333 332915516 /nfs/dbraw/zinc/91/55/16/332915516.db2.gz ORSPRPJBLPDRME-BBWFWOEESA-N 2 1 284.463 3.615 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000474474018 331588718 /nfs/dbraw/zinc/58/87/18/331588718.db2.gz VLGHTCZGOOGHOC-KGLIPLIRSA-N 2 1 294.870 3.906 20 0 CHADMP CC(C)(C[NH2+]Cc1cc2ccccc2o1)C[NH+]1CCCC1 ZINC000480925630 331791637 /nfs/dbraw/zinc/79/16/37/331791637.db2.gz JNKSUZICSCUMDW-UHFFFAOYSA-N 2 1 286.419 3.644 20 0 CHADMP Cn1cc[nH+]c1CC1CC[NH+](CCC2CCCCC2)CC1 ZINC000483269222 331866121 /nfs/dbraw/zinc/86/61/21/331866121.db2.gz QYLWEUWSHQYDKG-UHFFFAOYSA-N 2 1 289.467 3.645 20 0 CHADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCC(C(C)C)CC1 ZINC000230652955 333319514 /nfs/dbraw/zinc/31/95/14/333319514.db2.gz MEPNOOYKNXZYRR-QQFBHYJXSA-N 2 1 254.462 3.521 20 0 CHADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCC(C(C)C)CC1 ZINC000230652955 333319515 /nfs/dbraw/zinc/31/95/15/333319515.db2.gz MEPNOOYKNXZYRR-QQFBHYJXSA-N 2 1 254.462 3.521 20 0 CHADMP CN1CCC[C@@H](C[N@@H+](C)[C@@H]2CCc3c2cccc3Cl)C1 ZINC000489839734 332069932 /nfs/dbraw/zinc/06/99/32/332069932.db2.gz UWZBWUQRUGSDPK-CXAGYDPISA-N 2 1 292.854 3.601 20 0 CHADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCc2c1cccc2Cl ZINC000489839734 332069934 /nfs/dbraw/zinc/06/99/34/332069934.db2.gz UWZBWUQRUGSDPK-CXAGYDPISA-N 2 1 292.854 3.601 20 0 CHADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCc2c1cccc2Cl ZINC000489839734 332069936 /nfs/dbraw/zinc/06/99/36/332069936.db2.gz UWZBWUQRUGSDPK-CXAGYDPISA-N 2 1 292.854 3.601 20 0 CHADMP C[C@H](c1ccccc1Cl)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248181372 334296697 /nfs/dbraw/zinc/29/66/97/334296697.db2.gz WLLVZUHAFHGNJN-KEYYUXOJSA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248181372 334296699 /nfs/dbraw/zinc/29/66/99/334296699.db2.gz WLLVZUHAFHGNJN-KEYYUXOJSA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248181372 334296701 /nfs/dbraw/zinc/29/67/01/334296701.db2.gz WLLVZUHAFHGNJN-KEYYUXOJSA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1ccccc1Cl)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248181372 334296702 /nfs/dbraw/zinc/29/67/02/334296702.db2.gz WLLVZUHAFHGNJN-KEYYUXOJSA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1ccccc1Cl)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248181372 334296704 /nfs/dbraw/zinc/29/67/04/334296704.db2.gz WLLVZUHAFHGNJN-KEYYUXOJSA-N 2 1 292.854 3.817 20 0 CHADMP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172645349 335114530 /nfs/dbraw/zinc/11/45/30/335114530.db2.gz IDKXDNHFSDTOIK-LSDHHAIUSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172645349 335114532 /nfs/dbraw/zinc/11/45/32/335114532.db2.gz IDKXDNHFSDTOIK-LSDHHAIUSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@@H]([NH2+]CC1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309684553 333047168 /nfs/dbraw/zinc/04/71/68/333047168.db2.gz AMDYVXMJIBGBBB-APWZRJJASA-N 2 1 286.463 3.677 20 0 CHADMP CC[C@H](C)C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000309878671 333050643 /nfs/dbraw/zinc/05/06/43/333050643.db2.gz VDLVGKRSNXWFRE-HKUYNNGSSA-N 2 1 288.479 3.924 20 0 CHADMP C[C@@H]([NH2+]CC1(C)CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309891751 333051032 /nfs/dbraw/zinc/05/10/32/333051032.db2.gz DXAQSIRNLHVEFL-SJLPKXTDSA-N 2 1 286.463 3.677 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000520904360 333107568 /nfs/dbraw/zinc/10/75/68/333107568.db2.gz IFKGARGEQJPPAS-BPQIPLTHSA-N 2 1 278.484 3.643 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000520904360 333107570 /nfs/dbraw/zinc/10/75/70/333107570.db2.gz IFKGARGEQJPPAS-BPQIPLTHSA-N 2 1 278.484 3.643 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000520904360 333107571 /nfs/dbraw/zinc/10/75/71/333107571.db2.gz IFKGARGEQJPPAS-BPQIPLTHSA-N 2 1 278.484 3.643 20 0 CHADMP Cc1cccc([C@H]2CC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)c1 ZINC000564157468 333124820 /nfs/dbraw/zinc/12/48/20/333124820.db2.gz OYHINVOFYJFREF-OALUTQOASA-N 2 1 286.463 3.659 20 0 CHADMP CC/C=C/CC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185437173 333140509 /nfs/dbraw/zinc/14/05/09/333140509.db2.gz SJFIIVHANRBROK-SGFLJFKBSA-N 2 1 264.457 3.585 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CCC2CC2)C1 ZINC000186425932 333160346 /nfs/dbraw/zinc/16/03/46/333160346.db2.gz LHCAPZSCEDURTJ-DOTOQJQBSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC12CCCC2 ZINC000189067377 333179761 /nfs/dbraw/zinc/17/97/61/333179761.db2.gz FGAUUFKUQNEDTI-DLBZAZTESA-N 2 1 278.484 3.953 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC12CCCC2 ZINC000189067353 333179841 /nfs/dbraw/zinc/17/98/41/333179841.db2.gz FGAUUFKUQNEDTI-IAGOWNOFSA-N 2 1 278.484 3.953 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCC12CCCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000189217498 333186212 /nfs/dbraw/zinc/18/62/12/333186212.db2.gz SOGJDBMKPTUXFA-LZLYRXPVSA-N 2 1 290.495 3.952 20 0 CHADMP Cc1ccc([C@@H]([NH2+]CCC[N@H+](C)C(C)C)C2CC2)cc1 ZINC000223024113 333203349 /nfs/dbraw/zinc/20/33/49/333203349.db2.gz NOHYGEXNSWRBPF-GOSISDBHSA-N 2 1 274.452 3.766 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000223025642 333203501 /nfs/dbraw/zinc/20/35/01/333203501.db2.gz FWXZUNJTZIEPPI-AWEZNQCLSA-N 2 1 282.859 3.591 20 0 CHADMP C[C@H](CCCC(F)(F)F)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000226124003 333250626 /nfs/dbraw/zinc/25/06/26/333250626.db2.gz RRTVLBURTXTRGY-KGLIPLIRSA-N 2 1 294.405 3.962 20 0 CHADMP Cc1ccc(F)c(CNCCC[N@H+](C)C2CCCCC2)c1 ZINC000227282652 333279343 /nfs/dbraw/zinc/27/93/43/333279343.db2.gz UWHZEYXCIOUTKJ-UHFFFAOYSA-N 2 1 292.442 3.878 20 0 CHADMP Clc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000250072269 333302101 /nfs/dbraw/zinc/30/21/01/333302101.db2.gz AAOIDJQNCNARCJ-USXIJHARSA-N 2 1 292.854 3.740 20 0 CHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000237523819 333379950 /nfs/dbraw/zinc/37/99/50/333379950.db2.gz CDDZBRLNTRUSLK-JKSUJKDBSA-N 2 1 286.463 3.949 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000237536623 333380001 /nfs/dbraw/zinc/38/00/01/333380001.db2.gz WOCCYYDGPSOEOE-OAHLLOKOSA-N 2 1 299.462 3.915 20 0 CHADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(F)cc1Cl ZINC000062078728 333542149 /nfs/dbraw/zinc/54/21/49/333542149.db2.gz NPWQLMSXTMUCHP-QWHCGFSZSA-N 2 1 298.833 3.862 20 0 CHADMP Cc1oc2ccccc2c1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000127735244 333635020 /nfs/dbraw/zinc/63/50/20/333635020.db2.gz MMYWTFXYKDAHIH-UHFFFAOYSA-N 2 1 298.430 3.801 20 0 CHADMP CC[C@@H]1CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000576112694 335156234 /nfs/dbraw/zinc/15/62/34/335156234.db2.gz QFXZUQKRGPWWEB-DZJYIKFMSA-N 2 1 298.474 3.960 20 0 CHADMP Cc1ccc([C@H]([NH2+]CCC[NH+]2CCCCC2)C2CCC2)o1 ZINC000541745351 333789467 /nfs/dbraw/zinc/78/94/67/333789467.db2.gz IBIRDAYIHOUPMX-GOSISDBHSA-N 2 1 290.451 3.895 20 0 CHADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000545894226 334004662 /nfs/dbraw/zinc/00/46/62/334004662.db2.gz IUAPZRMYHLZCCW-JKSUJKDBSA-N 2 1 282.431 3.784 20 0 CHADMP CCCC[C@H](CC)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000546930632 334055660 /nfs/dbraw/zinc/05/56/60/334055660.db2.gz KQYQNGCBZOSJPC-GVDBMIGSSA-N 2 1 266.473 3.619 20 0 CHADMP CCCC[C@H](CC)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000546930632 334055661 /nfs/dbraw/zinc/05/56/61/334055661.db2.gz KQYQNGCBZOSJPC-GVDBMIGSSA-N 2 1 266.473 3.619 20 0 CHADMP CCCC[C@@H](CC)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000546931222 334055812 /nfs/dbraw/zinc/05/58/12/334055812.db2.gz LUGMFWRGGUIOOU-MRXNPFEDSA-N 2 1 265.445 3.730 20 0 CHADMP CCCC[C@@H](CC)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000546931222 334055814 /nfs/dbraw/zinc/05/58/14/334055814.db2.gz LUGMFWRGGUIOOU-MRXNPFEDSA-N 2 1 265.445 3.730 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCc2ccccc2Cl)C1 ZINC000076002848 334066222 /nfs/dbraw/zinc/06/62/22/334066222.db2.gz CYHJVDNRPGHZHB-HNNXBMFYSA-N 2 1 294.870 3.546 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCc2ccccc2Cl)C1 ZINC000076002848 334066223 /nfs/dbraw/zinc/06/62/23/334066223.db2.gz CYHJVDNRPGHZHB-HNNXBMFYSA-N 2 1 294.870 3.546 20 0 CHADMP CC(C)[C@H](C[NH2+]C1CCC(C)(C)CC1)[NH+]1CCCC1 ZINC000079620935 334158417 /nfs/dbraw/zinc/15/84/17/334158417.db2.gz LDYTYONBUIHVHV-INIZCTEOSA-N 2 1 266.473 3.665 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC000081516202 334193666 /nfs/dbraw/zinc/19/36/66/334193666.db2.gz PGBSUJGQNUZRHL-IRXDYDNUSA-N 2 1 274.452 3.720 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000081516202 334193667 /nfs/dbraw/zinc/19/36/67/334193667.db2.gz PGBSUJGQNUZRHL-IRXDYDNUSA-N 2 1 274.452 3.720 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000081516202 334193669 /nfs/dbraw/zinc/19/36/69/334193669.db2.gz PGBSUJGQNUZRHL-IRXDYDNUSA-N 2 1 274.452 3.720 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CCC[C@@H](C)C2)C1 ZINC000245513712 334199035 /nfs/dbraw/zinc/19/90/35/334199035.db2.gz DLFCCGNRGGPMMF-IXDOHACOSA-N 2 1 266.473 3.523 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](CC(C)C)c2cccs2)C1 ZINC000246947522 334272467 /nfs/dbraw/zinc/27/24/67/334272467.db2.gz HXWZUZZBHDYOGB-LSDHHAIUSA-N 2 1 280.481 3.767 20 0 CHADMP CC(C)=CCC[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246985801 334273432 /nfs/dbraw/zinc/27/34/32/334273432.db2.gz KHQMYOCUKDKFKP-KURKYZTESA-N 2 1 296.499 3.600 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000247027310 334274271 /nfs/dbraw/zinc/27/42/71/334274271.db2.gz NIYULDTUBNCAML-OVYGPGRDSA-N 2 1 266.473 3.520 20 0 CHADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247033663 334274393 /nfs/dbraw/zinc/27/43/93/334274393.db2.gz NSNOBHHMLOTPLY-NUJGCVRESA-N 2 1 288.479 3.815 20 0 CHADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247033663 334274395 /nfs/dbraw/zinc/27/43/95/334274395.db2.gz NSNOBHHMLOTPLY-NUJGCVRESA-N 2 1 288.479 3.815 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551008793 334236250 /nfs/dbraw/zinc/23/62/50/334236250.db2.gz ZFSOIJPKEIIFFZ-LAQRGFTBSA-N 2 1 274.452 3.846 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551008793 334236252 /nfs/dbraw/zinc/23/62/52/334236252.db2.gz ZFSOIJPKEIIFFZ-LAQRGFTBSA-N 2 1 274.452 3.846 20 0 CHADMP C[NH+]1CCC([NH2+]Cc2ccc(C3CCCCC3)cc2)CC1 ZINC000551203481 334240775 /nfs/dbraw/zinc/24/07/75/334240775.db2.gz UYDWVMJFRPIPBT-UHFFFAOYSA-N 2 1 286.463 3.918 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)Cc2ccccc2)[C@@H](C)C1 ZINC000246361222 334253779 /nfs/dbraw/zinc/25/37/79/334253779.db2.gz IMJJEJJLKQLKDT-FUHWJXTLSA-N 2 1 288.479 3.575 20 0 CHADMP CCC(CC)(CC)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000246402675 334256273 /nfs/dbraw/zinc/25/62/73/334256273.db2.gz LVKQHCFORLIKBF-RBSFLKMASA-N 2 1 254.462 3.521 20 0 CHADMP C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)o1 ZINC000247125824 334276094 /nfs/dbraw/zinc/27/60/94/334276094.db2.gz YZZYLQJLSXZMSA-LFLYSQGHSA-N 2 1 288.435 3.508 20 0 CHADMP C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)o1 ZINC000247125824 334276095 /nfs/dbraw/zinc/27/60/95/334276095.db2.gz YZZYLQJLSXZMSA-LFLYSQGHSA-N 2 1 288.435 3.508 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CC[N@@H+]1C ZINC000246903204 334271639 /nfs/dbraw/zinc/27/16/39/334271639.db2.gz FYEBLLOTCGZMEA-FPCVCCKLSA-N 2 1 266.473 3.664 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CC[N@H+]1C ZINC000246903204 334271641 /nfs/dbraw/zinc/27/16/41/334271641.db2.gz FYEBLLOTCGZMEA-FPCVCCKLSA-N 2 1 266.473 3.664 20 0 CHADMP CCCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000247171107 334276910 /nfs/dbraw/zinc/27/69/10/334276910.db2.gz UCWQFZIXAMWUEX-FUHWJXTLSA-N 2 1 274.452 3.771 20 0 CHADMP CCCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000247171107 334276912 /nfs/dbraw/zinc/27/69/12/334276912.db2.gz UCWQFZIXAMWUEX-FUHWJXTLSA-N 2 1 274.452 3.771 20 0 CHADMP CCCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247171107 334276913 /nfs/dbraw/zinc/27/69/13/334276913.db2.gz UCWQFZIXAMWUEX-FUHWJXTLSA-N 2 1 274.452 3.771 20 0 CHADMP CCCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247171107 334276915 /nfs/dbraw/zinc/27/69/15/334276915.db2.gz UCWQFZIXAMWUEX-FUHWJXTLSA-N 2 1 274.452 3.771 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC000247468577 334282100 /nfs/dbraw/zinc/28/21/00/334282100.db2.gz JALBJTIIRWFHGH-CABCVRRESA-N 2 1 278.415 3.550 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)c2cccc(F)c2)C1 ZINC000247468577 334282101 /nfs/dbraw/zinc/28/21/01/334282101.db2.gz JALBJTIIRWFHGH-CABCVRRESA-N 2 1 278.415 3.550 20 0 CHADMP C[C@@H]([C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000247985018 334293000 /nfs/dbraw/zinc/29/30/00/334293000.db2.gz ITGZBPANCNWTJS-QBYUYEEZSA-N 2 1 266.473 3.664 20 0 CHADMP C[C@@H]([C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000247985018 334293002 /nfs/dbraw/zinc/29/30/02/334293002.db2.gz ITGZBPANCNWTJS-QBYUYEEZSA-N 2 1 266.473 3.664 20 0 CHADMP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000552246409 334307776 /nfs/dbraw/zinc/30/77/76/334307776.db2.gz TWRPYMVAVKPYHQ-MZBWOGCUSA-N 2 1 296.524 3.513 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)C1 ZINC000248616608 334309201 /nfs/dbraw/zinc/30/92/01/334309201.db2.gz AQFFJIWHEYTYLJ-NJAFHUGGSA-N 2 1 286.463 3.500 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000552337165 334318171 /nfs/dbraw/zinc/31/81/71/334318171.db2.gz OFDJPCROSOHVLB-ACBHZAAOSA-N 2 1 286.463 3.705 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000552337165 334318172 /nfs/dbraw/zinc/31/81/72/334318172.db2.gz OFDJPCROSOHVLB-ACBHZAAOSA-N 2 1 286.463 3.705 20 0 CHADMP C[C@H](CCC1CC1)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248971564 334323486 /nfs/dbraw/zinc/32/34/86/334323486.db2.gz GQYDRUHKGQBFHQ-VYDXJSESSA-N 2 1 278.484 3.808 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+]CC[C@H](C)c2ccccc2)C1 ZINC000249041517 334325575 /nfs/dbraw/zinc/32/55/75/334325575.db2.gz UVQNXENBKAEVQT-IRXDYDNUSA-N 2 1 274.452 3.502 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc3ccccc3s2)C1 ZINC000249079888 334326870 /nfs/dbraw/zinc/32/68/70/334326870.db2.gz CMYIBNHVVWYMGC-ZIAGYGMSSA-N 2 1 288.460 3.894 20 0 CHADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](C)c2cccc(Cl)c2)C1 ZINC000249461802 334334427 /nfs/dbraw/zinc/33/44/27/334334427.db2.gz FTHBDFYHEFDENN-GJZGRUSLSA-N 2 1 294.870 3.717 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](C)c2cccc(Cl)c2)C1 ZINC000249461802 334334429 /nfs/dbraw/zinc/33/44/29/334334429.db2.gz FTHBDFYHEFDENN-GJZGRUSLSA-N 2 1 294.870 3.717 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](C)c2cccc(Cl)c2)C1 ZINC000249461802 334334432 /nfs/dbraw/zinc/33/44/32/334334432.db2.gz FTHBDFYHEFDENN-GJZGRUSLSA-N 2 1 294.870 3.717 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](C)c2cccc(Cl)c2)C1 ZINC000249461802 334334433 /nfs/dbraw/zinc/33/44/33/334334433.db2.gz FTHBDFYHEFDENN-GJZGRUSLSA-N 2 1 294.870 3.717 20 0 CHADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000552580089 334337458 /nfs/dbraw/zinc/33/74/58/334337458.db2.gz PJGKDHJRSZDOFX-IFIJOSMWSA-N 2 1 296.405 3.734 20 0 CHADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000552580089 334337459 /nfs/dbraw/zinc/33/74/59/334337459.db2.gz PJGKDHJRSZDOFX-IFIJOSMWSA-N 2 1 296.405 3.734 20 0 CHADMP CC(C)CC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000251433107 334361447 /nfs/dbraw/zinc/36/14/47/334361447.db2.gz SMZVNUGHTXUUIH-IRXDYDNUSA-N 2 1 278.484 3.809 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccsc2)C1 ZINC000090586771 334364115 /nfs/dbraw/zinc/36/41/15/334364115.db2.gz OAMOTTYSQJUEEX-GJZGRUSLSA-N 2 1 280.481 3.767 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC(C)(C)C1 ZINC000251762126 334368974 /nfs/dbraw/zinc/36/89/74/334368974.db2.gz DQWBEKCEUGVCSM-BWNFHQQQSA-N 2 1 278.484 3.806 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC(C)(C)C1 ZINC000251762126 334368975 /nfs/dbraw/zinc/36/89/75/334368975.db2.gz DQWBEKCEUGVCSM-BWNFHQQQSA-N 2 1 278.484 3.806 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000091320988 334376367 /nfs/dbraw/zinc/37/63/67/334376367.db2.gz WTIMKTRUGABYJV-BEFAXECRSA-N 2 1 297.446 3.877 20 0 CHADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252699559 334385864 /nfs/dbraw/zinc/38/58/64/334385864.db2.gz UUGHBUDXMHIMDE-RBSFLKMASA-N 2 1 274.452 3.714 20 0 CHADMP C[C@H](Cc1ccc(F)cc1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000252711108 334385962 /nfs/dbraw/zinc/38/59/62/334385962.db2.gz IOPBIXIKLGPBAE-HZPDHXFCSA-N 2 1 292.442 3.611 20 0 CHADMP Cc1ccc2cc([C@H](C)[NH2+]CCC[NH2+]C(C)C)oc2c1 ZINC000568252799 334808786 /nfs/dbraw/zinc/80/87/86/334808786.db2.gz ZCZDZJBHCQKTQL-AWEZNQCLSA-N 2 1 274.408 3.780 20 0 CHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2F)CC1 ZINC000569024436 334851897 /nfs/dbraw/zinc/85/18/97/334851897.db2.gz IYSZEZXZYGBLJS-XBVQOTNRSA-N 2 1 282.447 3.510 20 0 CHADMP CCC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000576681644 335233967 /nfs/dbraw/zinc/23/39/67/335233967.db2.gz BORDJRCAKOVRCS-RHSMWYFYSA-N 2 1 264.457 3.562 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C(C2CCC2)C2CCC2)C1 ZINC000580585777 335292379 /nfs/dbraw/zinc/29/23/79/335292379.db2.gz WBISEUZFOXLKDT-MRXNPFEDSA-N 2 1 292.511 3.913 20 0 CHADMP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCCc2occc21)C(C)(C)C ZINC000192873825 335318503 /nfs/dbraw/zinc/31/85/03/335318503.db2.gz OUSDWIWNHRCDJA-GDBMZVCRSA-N 2 1 278.440 3.613 20 0 CHADMP Cc1cccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[nH+]1 ZINC000346239285 335359478 /nfs/dbraw/zinc/35/94/78/335359478.db2.gz PNYJFDOXWVPMRL-QAPCUYQASA-N 2 1 295.430 3.713 20 0 CHADMP Cc1cccc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)[nH+]1 ZINC000346239285 335359479 /nfs/dbraw/zinc/35/94/79/335359479.db2.gz PNYJFDOXWVPMRL-QAPCUYQASA-N 2 1 295.430 3.713 20 0 CHADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000177836446 335403554 /nfs/dbraw/zinc/40/35/54/335403554.db2.gz OMXQDYGHSDFMJZ-ZDUSSCGKSA-N 2 1 296.405 3.736 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](c1ccccc1)C(C)C ZINC000178183337 335421161 /nfs/dbraw/zinc/42/11/61/335421161.db2.gz RTEKNFDHTWXUKY-QAPCUYQASA-N 2 1 285.435 3.815 20 0 CHADMP CCCC1CCC(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000581386345 336066629 /nfs/dbraw/zinc/06/66/29/336066629.db2.gz PYSLLDPZAWSGIO-DAWZGUTISA-N 2 1 280.500 3.913 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000581437059 336077627 /nfs/dbraw/zinc/07/76/27/336077627.db2.gz YHBQGIHTQFITJB-OLZOCXBDSA-N 2 1 289.810 3.624 20 0 CHADMP CC(C)C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000381931678 336078560 /nfs/dbraw/zinc/07/85/60/336078560.db2.gz RXKZUOLDPUHDCS-SFHVURJKSA-N 2 1 274.452 3.534 20 0 CHADMP CC(C)CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccoc1 ZINC000581444827 336079122 /nfs/dbraw/zinc/07/91/22/336079122.db2.gz JRBFAFSUDAEKAX-DOTOQJQBSA-N 2 1 278.440 3.688 20 0 CHADMP CC(C)CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccoc1 ZINC000581444827 336079124 /nfs/dbraw/zinc/07/91/24/336079124.db2.gz JRBFAFSUDAEKAX-DOTOQJQBSA-N 2 1 278.440 3.688 20 0 CHADMP CCC[C@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000382053913 336080924 /nfs/dbraw/zinc/08/09/24/336080924.db2.gz NNNUFXMDZIVEEG-WDSOQIARSA-N 2 1 286.463 3.629 20 0 CHADMP CCC[C@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000382053913 336080925 /nfs/dbraw/zinc/08/09/25/336080925.db2.gz NNNUFXMDZIVEEG-WDSOQIARSA-N 2 1 286.463 3.629 20 0 CHADMP CCC[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000382053913 336080926 /nfs/dbraw/zinc/08/09/26/336080926.db2.gz NNNUFXMDZIVEEG-WDSOQIARSA-N 2 1 286.463 3.629 20 0 CHADMP CSC1(C[NH2+]CC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000383302391 336106981 /nfs/dbraw/zinc/10/69/81/336106981.db2.gz ZWHFCVDHPCLBIL-UHFFFAOYSA-N 2 1 296.524 3.660 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]CC2CCCCC2)C[C@H]1c1ccccc1 ZINC000581838628 336150475 /nfs/dbraw/zinc/15/04/75/336150475.db2.gz WCFPQVOVQQIRIH-OALUTQOASA-N 2 1 286.463 3.992 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC2CCCCC2)C[C@H]1c1ccccc1 ZINC000581838628 336150477 /nfs/dbraw/zinc/15/04/77/336150477.db2.gz WCFPQVOVQQIRIH-OALUTQOASA-N 2 1 286.463 3.992 20 0 CHADMP C/C(=C\c1ccccc1)C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000237336381 518447119 /nfs/dbraw/zinc/44/71/19/518447119.db2.gz SAVYZLKFTBMKIH-SFKKXYGYSA-N 2 1 283.419 3.521 20 0 CHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)cn2)C1 ZINC000274880327 519676912 /nfs/dbraw/zinc/67/69/12/519676912.db2.gz HJJRIDYJPJGONG-KBPBESRZSA-N 2 1 295.858 3.506 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)cn2)C1 ZINC000274880327 519676915 /nfs/dbraw/zinc/67/69/15/519676915.db2.gz HJJRIDYJPJGONG-KBPBESRZSA-N 2 1 295.858 3.506 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]3CCC[C@@H]31)CCC2 ZINC000352596892 534453448 /nfs/dbraw/zinc/45/34/48/534453448.db2.gz DRKAFNKWIRXELS-AFYVEPGGSA-N 2 1 298.474 3.835 20 0 CHADMP c1cc(-c2ccccc2)oc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352545110 534464924 /nfs/dbraw/zinc/46/49/24/534464924.db2.gz FXPITONOVDNPDN-LJQANCHMSA-N 2 1 296.414 3.522 20 0 CHADMP c1cc(-c2ccccc2)oc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352545110 534464931 /nfs/dbraw/zinc/46/49/31/534464931.db2.gz FXPITONOVDNPDN-LJQANCHMSA-N 2 1 296.414 3.522 20 0 CHADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2sc(C)nc2C)CC1 ZINC000111361267 520578448 /nfs/dbraw/zinc/57/84/48/520578448.db2.gz JTOSDGOMLOTURN-ZDUSSCGKSA-N 2 1 295.496 3.675 20 0 CHADMP CCC[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000129715495 520791473 /nfs/dbraw/zinc/79/14/73/520791473.db2.gz WSAHBGKYOLQWAI-DJIMGWMZSA-N 2 1 260.425 3.600 20 0 CHADMP CCC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000129715495 520791481 /nfs/dbraw/zinc/79/14/81/520791481.db2.gz WSAHBGKYOLQWAI-DJIMGWMZSA-N 2 1 260.425 3.600 20 0 CHADMP CCC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1cccs1 ZINC000049540915 521154224 /nfs/dbraw/zinc/15/42/24/521154224.db2.gz ZXRWHFBGPJMMFG-AWEZNQCLSA-N 2 1 266.454 3.663 20 0 CHADMP CC[NH+]1CCC([NH2+]C2CCC3(CCCC3)CC2)CC1 ZINC000129341541 521576497 /nfs/dbraw/zinc/57/64/97/521576497.db2.gz QCPLRYHPODYQML-UHFFFAOYSA-N 2 1 264.457 3.563 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000275440355 521581380 /nfs/dbraw/zinc/58/13/80/521581380.db2.gz FANZXEGIJWWEEA-CRAIPNDOSA-N 2 1 290.426 3.536 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(F)F)c2)[C@@H](C)C1 ZINC000279185638 521713301 /nfs/dbraw/zinc/71/33/01/521713301.db2.gz CCPKUXOXRKIYHZ-XJKSGUPXSA-N 2 1 296.405 3.786 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C(F)F)c2)[C@@H](C)C1 ZINC000279185638 521713302 /nfs/dbraw/zinc/71/33/02/521713302.db2.gz CCPKUXOXRKIYHZ-XJKSGUPXSA-N 2 1 296.405 3.786 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C(F)F)c2)[C@@H](C)C1 ZINC000279185638 521713304 /nfs/dbraw/zinc/71/33/04/521713304.db2.gz CCPKUXOXRKIYHZ-XJKSGUPXSA-N 2 1 296.405 3.786 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc3ccccc3c2)C[C@@H]1C ZINC000337133583 521720212 /nfs/dbraw/zinc/72/02/12/521720212.db2.gz AZFCAPFYUQYMER-YJBOKZPZSA-N 2 1 297.446 3.539 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc3ccccc3c2)C[C@@H]1C ZINC000337133583 521720213 /nfs/dbraw/zinc/72/02/13/521720213.db2.gz AZFCAPFYUQYMER-YJBOKZPZSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc3ccccc3c2)C[C@@H]1C ZINC000337133583 521720214 /nfs/dbraw/zinc/72/02/14/521720214.db2.gz AZFCAPFYUQYMER-YJBOKZPZSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc3ccccc3c2)C[C@@H]1C ZINC000337133583 521720216 /nfs/dbraw/zinc/72/02/16/521720216.db2.gz AZFCAPFYUQYMER-YJBOKZPZSA-N 2 1 297.446 3.539 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@@H+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000277085299 522044853 /nfs/dbraw/zinc/04/48/53/522044853.db2.gz FOILBNAZSJPBDD-CXAGYDPISA-N 2 1 292.854 3.743 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@H+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000277085299 522044860 /nfs/dbraw/zinc/04/48/60/522044860.db2.gz FOILBNAZSJPBDD-CXAGYDPISA-N 2 1 292.854 3.743 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2csc3ccccc23)CC1 ZINC000277092172 522045351 /nfs/dbraw/zinc/04/53/51/522045351.db2.gz FYTSTYLHINBPQM-OAHLLOKOSA-N 2 1 288.460 3.817 20 0 CHADMP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040592935 523088531 /nfs/dbraw/zinc/08/85/31/523088531.db2.gz KRIORTWDKZUCMT-CJNGLKHVSA-N 2 1 280.843 3.723 20 0 CHADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040592935 523088538 /nfs/dbraw/zinc/08/85/38/523088538.db2.gz KRIORTWDKZUCMT-CJNGLKHVSA-N 2 1 280.843 3.723 20 0 CHADMP C[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000037248640 523777735 /nfs/dbraw/zinc/77/77/35/523777735.db2.gz LIPLUWDKVAHJMW-UHFFFAOYSA-N 2 1 280.415 3.537 20 0 CHADMP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000130347183 524461876 /nfs/dbraw/zinc/46/18/76/524461876.db2.gz WTHKJSLITBKRJU-KBAYOESNSA-N 2 1 272.436 3.581 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c2ccccc21 ZINC000278850583 524617637 /nfs/dbraw/zinc/61/76/37/524617637.db2.gz ACUFPXWHNIELPB-RVKKMQEKSA-N 2 1 295.430 3.674 20 0 CHADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000279064303 524964821 /nfs/dbraw/zinc/96/48/21/524964821.db2.gz ZJNXTKKNDDUXNJ-BFYDXBDKSA-N 2 1 295.430 3.592 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+]CCC(C)C)CC1 ZINC000236723537 525138359 /nfs/dbraw/zinc/13/83/59/525138359.db2.gz TXEHBJZWNYQUBQ-UHFFFAOYSA-N 2 1 274.452 3.595 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2CC(c3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC000157619997 525263307 /nfs/dbraw/zinc/26/33/07/525263307.db2.gz BRCABFSKZYUCTJ-LMEGTBPZSA-N 2 1 292.854 3.658 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2CC(c3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC000157619997 525263312 /nfs/dbraw/zinc/26/33/12/525263312.db2.gz BRCABFSKZYUCTJ-LMEGTBPZSA-N 2 1 292.854 3.658 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2CC(c3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC000157757794 525263799 /nfs/dbraw/zinc/26/37/99/525263799.db2.gz JCVPKKCBBHZRMY-LMEGTBPZSA-N 2 1 292.854 3.658 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2CC(c3cccc(Cl)c3)C2)CC[N@H+]1C ZINC000157757794 525263805 /nfs/dbraw/zinc/26/38/05/525263805.db2.gz JCVPKKCBBHZRMY-LMEGTBPZSA-N 2 1 292.854 3.658 20 0 CHADMP C[C@H]([NH2+]C/C=C/c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000299105758 525283508 /nfs/dbraw/zinc/28/35/08/525283508.db2.gz VCMVFYMPGZATAM-HXLFFGMLSA-N 2 1 298.474 3.942 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(F)c1 ZINC000037786242 525402026 /nfs/dbraw/zinc/40/20/26/525402026.db2.gz OEIHPSZYKSQBTO-CYBMUJFWSA-N 2 1 278.415 3.739 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)CC[N@@H+]1C ZINC000280965806 525447381 /nfs/dbraw/zinc/44/73/81/525447381.db2.gz KXRYBUDIOXOPTD-AETAKHFUSA-N 2 1 290.426 3.534 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)CC[N@H+]1C ZINC000280965806 525447389 /nfs/dbraw/zinc/44/73/89/525447389.db2.gz KXRYBUDIOXOPTD-AETAKHFUSA-N 2 1 290.426 3.534 20 0 CHADMP Cc1oc2ccccc2c1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277359433 526786461 /nfs/dbraw/zinc/78/64/61/526786461.db2.gz FDLYOOABJDHYOQ-HNNXBMFYSA-N 2 1 286.419 3.657 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000275845502 527424253 /nfs/dbraw/zinc/42/42/53/527424253.db2.gz KCSLRMVMZQYYIE-OALUTQOASA-N 2 1 297.446 3.682 20 0 CHADMP CC(C)C1CCC([NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000352767485 527646544 /nfs/dbraw/zinc/64/65/44/527646544.db2.gz MBJCAGGAYKIIMG-UHFFFAOYSA-N 2 1 295.496 3.509 20 0 CHADMP CC(C)CCC[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352245708 527706316 /nfs/dbraw/zinc/70/63/16/527706316.db2.gz JHFNAVRSEFFCCF-ZDUSSCGKSA-N 2 1 283.485 3.509 20 0 CHADMP CCC1(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CCCCC1 ZINC000352741489 527747889 /nfs/dbraw/zinc/74/78/89/527747889.db2.gz GTJKOVPZFLLFIC-UHFFFAOYSA-N 2 1 295.496 3.655 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3occc3c2)C[C@@H]1C ZINC000347862564 527756671 /nfs/dbraw/zinc/75/66/71/527756671.db2.gz LQLLGZWKCGJTBK-WMLDXEAASA-N 2 1 286.419 3.737 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc3occc3c2)C[C@@H]1C ZINC000347862564 527756678 /nfs/dbraw/zinc/75/66/78/527756678.db2.gz LQLLGZWKCGJTBK-WMLDXEAASA-N 2 1 286.419 3.737 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc3occc3c2)C[C@@H]1C ZINC000347862564 527756682 /nfs/dbraw/zinc/75/66/82/527756682.db2.gz LQLLGZWKCGJTBK-WMLDXEAASA-N 2 1 286.419 3.737 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3ncccc3c2)C[C@H]1C ZINC000353748070 527756767 /nfs/dbraw/zinc/75/67/67/527756767.db2.gz PGZMEKVDXGHOGJ-CRAIPNDOSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc3ncccc3c2)C[C@H]1C ZINC000353748070 527756769 /nfs/dbraw/zinc/75/67/69/527756769.db2.gz PGZMEKVDXGHOGJ-CRAIPNDOSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc3ncccc3c2)C[C@H]1C ZINC000353748070 527756779 /nfs/dbraw/zinc/75/67/79/527756779.db2.gz PGZMEKVDXGHOGJ-CRAIPNDOSA-N 2 1 297.446 3.539 20 0 CHADMP CCC[C@H](C)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192923366 528034026 /nfs/dbraw/zinc/03/40/26/528034026.db2.gz GQEZWCLBMHIOFB-FUHWJXTLSA-N 2 1 274.452 3.534 20 0 CHADMP CC(C)c1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000429562173 1125459978 /nfs/dbraw/zinc/45/99/78/1125459978.db2.gz YTVIZPBRWCOXLC-SFHVURJKSA-N 2 1 274.452 3.726 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC001202627931 1125467613 /nfs/dbraw/zinc/46/76/13/1125467613.db2.gz COJOMDZLSLTMBE-HOTGVXAUSA-N 2 1 268.489 3.913 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC001202627931 1125467614 /nfs/dbraw/zinc/46/76/14/1125467614.db2.gz COJOMDZLSLTMBE-HOTGVXAUSA-N 2 1 268.489 3.913 20 0 CHADMP CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(C)(C)C ZINC000623538394 1117870242 /nfs/dbraw/zinc/87/02/42/1117870242.db2.gz BUHPIVMZQLWZLB-KBPBESRZSA-N 2 1 254.462 3.664 20 0 CHADMP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623537858 1117870252 /nfs/dbraw/zinc/87/02/52/1117870252.db2.gz KOXJRTQQDOGCNK-LSDHHAIUSA-N 2 1 252.446 3.584 20 0 CHADMP CC[C@H]1CCC[C@H](C[NH2+][C@@H](C)C[N@H+](C)C(C)C)C1 ZINC001202646250 1125483913 /nfs/dbraw/zinc/48/39/13/1125483913.db2.gz GJAKXKWUEPVWLL-JYJNAYRXSA-N 2 1 254.462 3.521 20 0 CHADMP CC[C@H]1CCC[C@H](C[NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC001202646250 1125483917 /nfs/dbraw/zinc/48/39/17/1125483917.db2.gz GJAKXKWUEPVWLL-JYJNAYRXSA-N 2 1 254.462 3.521 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC[C@H]1CCCC[NH2+]1 ZINC000251703437 1125488912 /nfs/dbraw/zinc/48/89/12/1125488912.db2.gz OFRGYHANABZPGU-XJKSGUPXSA-N 2 1 280.843 3.865 20 0 CHADMP C[NH+](C)C[C@@H]1CC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000114198571 1125496482 /nfs/dbraw/zinc/49/64/82/1125496482.db2.gz ZUVDZLSLUAGAJY-HNNXBMFYSA-N 2 1 292.426 3.640 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)C2CCC(F)(F)CC2)C1 ZINC000685455738 1119610540 /nfs/dbraw/zinc/61/05/40/1119610540.db2.gz ZMDNNSCJPUKUDJ-KGLIPLIRSA-N 2 1 288.426 3.520 20 0 CHADMP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccsc1 ZINC000050339207 1125503494 /nfs/dbraw/zinc/50/34/94/1125503494.db2.gz FKMMUTNQBWKMEJ-AWEZNQCLSA-N 2 1 266.454 3.521 20 0 CHADMP CCCC[C@@H](CC)C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000228103261 1120806137 /nfs/dbraw/zinc/80/61/37/1120806137.db2.gz KAYYHDRGNXERAT-IAGOWNOFSA-N 2 1 266.473 3.668 20 0 CHADMP C[N@@H+]1CCC[C@H]([NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000710384636 1121985882 /nfs/dbraw/zinc/98/58/82/1121985882.db2.gz HPMVRKFJYITPLH-LBPRGKRZSA-N 2 1 287.234 3.567 20 0 CHADMP C[N@H+]1CCC[C@H]([NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000710384636 1121985888 /nfs/dbraw/zinc/98/58/88/1121985888.db2.gz HPMVRKFJYITPLH-LBPRGKRZSA-N 2 1 287.234 3.567 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H]1C(C)=CCC[C@@H]1C ZINC001181514770 1122059595 /nfs/dbraw/zinc/05/95/95/1122059595.db2.gz OEUZBNTVNCBOKM-DLBZAZTESA-N 2 1 266.473 3.643 20 0 CHADMP CSc1cccc(Cl)c1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205289398 1122251605 /nfs/dbraw/zinc/25/16/05/1122251605.db2.gz XUWJGFYQJZZALW-HNNXBMFYSA-N 2 1 298.883 3.765 20 0 CHADMP CSc1cccc(Cl)c1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205289398 1122251610 /nfs/dbraw/zinc/25/16/10/1122251610.db2.gz XUWJGFYQJZZALW-HNNXBMFYSA-N 2 1 298.883 3.765 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CC2CCCCCCC2)CC1(C)C ZINC001199471949 1123029639 /nfs/dbraw/zinc/02/96/39/1123029639.db2.gz AZFYJHGDLOWLRD-MRXNPFEDSA-N 2 1 266.473 3.809 20 0 CHADMP CCCCCC[C@H]1CCC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000776166723 1123098725 /nfs/dbraw/zinc/09/87/25/1123098725.db2.gz CZLNFJOPKOHTDS-ZWKOTPCHSA-N 2 1 278.484 3.977 20 0 CHADMP CCCCC[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001201737467 1123143722 /nfs/dbraw/zinc/14/37/22/1123143722.db2.gz OTYSMZFYSRUQHN-HOTGVXAUSA-N 2 1 252.446 3.515 20 0 CHADMP CCCCC[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001201737467 1123143726 /nfs/dbraw/zinc/14/37/26/1123143726.db2.gz OTYSMZFYSRUQHN-HOTGVXAUSA-N 2 1 252.446 3.515 20 0 CHADMP CCCCC[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001201737467 1123143728 /nfs/dbraw/zinc/14/37/28/1123143728.db2.gz OTYSMZFYSRUQHN-HOTGVXAUSA-N 2 1 252.446 3.515 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](CCC(C)C)C2)C1 ZINC001648960818 1123453071 /nfs/dbraw/zinc/45/30/71/1123453071.db2.gz VYJMXBHPDUMEQV-KZNAEPCWSA-N 2 1 280.500 3.913 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCSCC(C)C)C[C@H]1C ZINC000443618672 1123447999 /nfs/dbraw/zinc/44/79/99/1123447999.db2.gz DXLDKYHZJISPGH-HZPDHXFCSA-N 2 1 286.529 3.570 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCSCC(C)C)C[C@H]1C ZINC000443618672 1123448000 /nfs/dbraw/zinc/44/80/00/1123448000.db2.gz DXLDKYHZJISPGH-HZPDHXFCSA-N 2 1 286.529 3.570 20 0 CHADMP CC(C)[NH+](CCCNc1cc[nH+]cc1Cl)C(C)C ZINC000301532300 1123908877 /nfs/dbraw/zinc/90/88/77/1123908877.db2.gz HYUUZEWJSIILES-UHFFFAOYSA-N 2 1 269.820 3.656 20 0 CHADMP CC[C@@H]1c2ccsc2CC[N@H+]1CCC[NH+](CC)CC ZINC000530412777 1125151626 /nfs/dbraw/zinc/15/16/26/1125151626.db2.gz CMWDEWJNGSPCKC-OAHLLOKOSA-N 2 1 280.481 3.789 20 0 CHADMP CC[C@@H]1c2ccsc2CC[N@@H+]1CCC[NH+](CC)CC ZINC000530412777 1125151631 /nfs/dbraw/zinc/15/16/31/1125151631.db2.gz CMWDEWJNGSPCKC-OAHLLOKOSA-N 2 1 280.481 3.789 20 0 CHADMP CCCCCC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246569040 1131638435 /nfs/dbraw/zinc/63/84/35/1131638435.db2.gz PMMMFNMAAMQKKN-HRCADAONSA-N 2 1 254.462 3.652 20 0 CHADMP CC[C@@H]1C[C@H]([N@H+]2CCC23CCCCC3)C[C@H](CC)[NH2+]1 ZINC001246611351 1131717497 /nfs/dbraw/zinc/71/74/97/1131717497.db2.gz FZEAQNDUAFACOC-ZSHCYNCHSA-N 2 1 264.457 3.704 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@H+]1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001246687059 1131780711 /nfs/dbraw/zinc/78/07/11/1131780711.db2.gz CXOZSLRDWOYION-YHUYYLMFSA-N 2 1 284.463 3.600 20 0 CHADMP CCCC[C@@H](CC)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172107531 1132129710 /nfs/dbraw/zinc/12/97/10/1132129710.db2.gz ZFGRKRWNWIYMQF-VQHPVUNQSA-N 2 1 266.473 3.808 20 0 CHADMP CC[C@@H](CC(C)C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC001172390253 1132215041 /nfs/dbraw/zinc/21/50/41/1132215041.db2.gz SIGCFIWFZNPWEU-HOTGVXAUSA-N 2 1 254.462 3.665 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC000251997747 1125534723 /nfs/dbraw/zinc/53/47/23/1125534723.db2.gz ZSRYVRFTBWIUER-LMMKCTJWSA-N 2 1 288.479 3.923 20 0 CHADMP Cc1c2ccccc2oc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000120016177 1125540817 /nfs/dbraw/zinc/54/08/17/1125540817.db2.gz QUQXJRVABUDWKB-HEHGZKQESA-N 2 1 286.419 3.560 20 0 CHADMP Cc1c2ccccc2oc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000120016177 1125540823 /nfs/dbraw/zinc/54/08/23/1125540823.db2.gz QUQXJRVABUDWKB-HEHGZKQESA-N 2 1 286.419 3.560 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)s1 ZINC000121411845 1125560641 /nfs/dbraw/zinc/56/06/41/1125560641.db2.gz XGWLRWUUWFPOIG-YPMHNXCESA-N 2 1 277.437 3.548 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H]2CC=CCC2)cc1F ZINC000237645570 1125567049 /nfs/dbraw/zinc/56/70/49/1125567049.db2.gz LJBXWWQZSQAFDP-HNNXBMFYSA-N 2 1 299.393 3.766 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C2CCCC2)C3)cc1 ZINC000245697541 1125588794 /nfs/dbraw/zinc/58/87/94/1125588794.db2.gz LFLGSPJCGZFODW-REPLKXPHSA-N 2 1 284.447 3.714 20 0 CHADMP Cc1nccn1CCC[N@H+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC000348332929 1125591909 /nfs/dbraw/zinc/59/19/09/1125591909.db2.gz WSZHERKJVRKCAU-SFHVURJKSA-N 2 1 297.446 3.688 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC000348332929 1125591914 /nfs/dbraw/zinc/59/19/14/1125591914.db2.gz WSZHERKJVRKCAU-SFHVURJKSA-N 2 1 297.446 3.688 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC000348332929 1125591919 /nfs/dbraw/zinc/59/19/19/1125591919.db2.gz WSZHERKJVRKCAU-SFHVURJKSA-N 2 1 297.446 3.688 20 0 CHADMP C[C@@H](CC1CC1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245750785 1125593757 /nfs/dbraw/zinc/59/37/57/1125593757.db2.gz UALZSRJMWVHWLN-MVJPYGJCSA-N 2 1 298.474 3.960 20 0 CHADMP C[C@@H]1CC[C@@H](C)N1[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC000533374970 1125603746 /nfs/dbraw/zinc/60/37/46/1125603746.db2.gz MYQGOSITFBPTAR-OAGGEKHMSA-N 2 1 266.473 3.760 20 0 CHADMP CC(C)c1ccc(CC[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001205981722 1125620619 /nfs/dbraw/zinc/62/06/19/1125620619.db2.gz FZLJKXHCMDUOHP-QFBILLFUSA-N 2 1 288.479 3.659 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c2ccccc21 ZINC000246556056 1125645274 /nfs/dbraw/zinc/64/52/74/1125645274.db2.gz WWORSJKFUUTNEC-YXBKOPBNSA-N 2 1 286.463 3.943 20 0 CHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](CC)c2cc(F)ccc2F)C1 ZINC000246848248 1125649527 /nfs/dbraw/zinc/64/95/27/1125649527.db2.gz CMTKLQBEIFFOIP-SUMWQHHRSA-N 2 1 296.405 3.737 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)c2cc(F)ccc2F)C1 ZINC000246848248 1125649533 /nfs/dbraw/zinc/64/95/33/1125649533.db2.gz CMTKLQBEIFFOIP-SUMWQHHRSA-N 2 1 296.405 3.737 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)o1 ZINC000246893747 1125650667 /nfs/dbraw/zinc/65/06/67/1125650667.db2.gz FMYMWMCDGNEQMZ-GDBMZVCRSA-N 2 1 278.440 3.751 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)c2ccc(F)cc2)C1 ZINC000246924172 1125655133 /nfs/dbraw/zinc/65/51/33/1125655133.db2.gz GWGZSWRBERPTLQ-WMLDXEAASA-N 2 1 278.415 3.598 20 0 CHADMP C[NH+](C/C=C\Cl)[C@H]1CC[C@H]([N@@H+](C)C/C=C\Cl)CC1 ZINC000886392146 1125676653 /nfs/dbraw/zinc/67/66/53/1125676653.db2.gz XFOVBDKMAGGNPE-WFONOVADSA-N 2 1 291.266 3.666 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1F ZINC000161680551 1125710590 /nfs/dbraw/zinc/71/05/90/1125710590.db2.gz NBCBXJZPQHWQFZ-DOMZBBRYSA-N 2 1 298.833 3.862 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1F ZINC000161680551 1125710597 /nfs/dbraw/zinc/71/05/97/1125710597.db2.gz NBCBXJZPQHWQFZ-DOMZBBRYSA-N 2 1 298.833 3.862 20 0 CHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C3CCC3)cc2)CCN1C ZINC000508734833 1125786205 /nfs/dbraw/zinc/78/62/05/1125786205.db2.gz QHURWYXRIWTTMU-KXBFYZLASA-N 2 1 286.463 3.869 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C3CCC3)cc2)CC[N@@H+]1C ZINC000508734833 1125786216 /nfs/dbraw/zinc/78/62/16/1125786216.db2.gz QHURWYXRIWTTMU-KXBFYZLASA-N 2 1 286.463 3.869 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C3CCC3)cc2)CC[N@H+]1C ZINC000508734833 1125786220 /nfs/dbraw/zinc/78/62/20/1125786220.db2.gz QHURWYXRIWTTMU-KXBFYZLASA-N 2 1 286.463 3.869 20 0 CHADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C3CCC3)cc2)CC[NH+]1C ZINC000508734833 1125786228 /nfs/dbraw/zinc/78/62/28/1125786228.db2.gz QHURWYXRIWTTMU-KXBFYZLASA-N 2 1 286.463 3.869 20 0 CHADMP CC1=C(C)C[C@H]([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000638358777 1129254914 /nfs/dbraw/zinc/25/49/14/1129254914.db2.gz KBMHEBZXDMHRKV-YESZJQIVSA-N 2 1 276.468 3.585 20 0 CHADMP CSC(C)(C)C[C@H](C)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001258322929 1129197872 /nfs/dbraw/zinc/19/78/72/1129197872.db2.gz CYINFAUAQRYSRB-LSDHHAIUSA-N 2 1 286.529 3.617 20 0 CHADMP c1ccc(CCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134874082 1126704707 /nfs/dbraw/zinc/70/47/07/1126704707.db2.gz YCHJWKMOKIIZQZ-QUCCMNQESA-N 2 1 298.474 3.568 20 0 CHADMP c1ccc(CCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134874082 1126704709 /nfs/dbraw/zinc/70/47/09/1126704709.db2.gz YCHJWKMOKIIZQZ-QUCCMNQESA-N 2 1 298.474 3.568 20 0 CHADMP c1ccc(CCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134874082 1126704711 /nfs/dbraw/zinc/70/47/11/1126704711.db2.gz YCHJWKMOKIIZQZ-QUCCMNQESA-N 2 1 298.474 3.568 20 0 CHADMP c1ccc(CCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134874082 1126704714 /nfs/dbraw/zinc/70/47/14/1126704714.db2.gz YCHJWKMOKIIZQZ-QUCCMNQESA-N 2 1 298.474 3.568 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cc2ccc(C)cc2o1 ZINC000338008877 1126709126 /nfs/dbraw/zinc/70/91/26/1126709126.db2.gz BQVTWDYQXSNINC-CQSZACIVSA-N 2 1 297.402 3.987 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+](C)CCCn1ccnc1C ZINC000136305197 1126725258 /nfs/dbraw/zinc/72/52/58/1126725258.db2.gz FAZDGVGSAFDYIL-QGZVFWFLSA-N 2 1 271.408 3.665 20 0 CHADMP CC[C@H](c1ccccc1)[N@H+](C)CCCn1cc[nH+]c1C ZINC000136305197 1126725263 /nfs/dbraw/zinc/72/52/63/1126725263.db2.gz FAZDGVGSAFDYIL-QGZVFWFLSA-N 2 1 271.408 3.665 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000136305197 1126725266 /nfs/dbraw/zinc/72/52/66/1126725266.db2.gz FAZDGVGSAFDYIL-QGZVFWFLSA-N 2 1 271.408 3.665 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)Cc2ccccc2)C[C@H]1C ZINC000481993689 1126738898 /nfs/dbraw/zinc/73/88/98/1126738898.db2.gz UUYRMAMWJUISKS-SCTDSRPQSA-N 2 1 288.479 3.670 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)Cc2ccccc2)C[C@H]1C ZINC000481993689 1126738900 /nfs/dbraw/zinc/73/89/00/1126738900.db2.gz UUYRMAMWJUISKS-SCTDSRPQSA-N 2 1 288.479 3.670 20 0 CHADMP Cc1cccc2[nH]c(C[N@@H+]3CCCC34CC[NH+](C)CC4)cc21 ZINC000668027167 1126753759 /nfs/dbraw/zinc/75/37/59/1126753759.db2.gz DWGFJYLJYZFGAT-UHFFFAOYSA-N 2 1 297.446 3.537 20 0 CHADMP CC(C)c1cccc(C[N@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000668027879 1126754021 /nfs/dbraw/zinc/75/40/21/1126754021.db2.gz SOMYDNIYPWGMBW-UHFFFAOYSA-N 2 1 286.463 3.870 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)s2)[C@H](C)C1 ZINC000174769819 1126773026 /nfs/dbraw/zinc/77/30/26/1126773026.db2.gz GGCYYGRZRZAVAY-DGCLKSJQSA-N 2 1 286.872 3.564 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)s2)[C@H](C)C1 ZINC000174769819 1126773029 /nfs/dbraw/zinc/77/30/29/1126773029.db2.gz GGCYYGRZRZAVAY-DGCLKSJQSA-N 2 1 286.872 3.564 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)s2)[C@H](C)C1 ZINC000174769819 1126773033 /nfs/dbraw/zinc/77/30/33/1126773033.db2.gz GGCYYGRZRZAVAY-DGCLKSJQSA-N 2 1 286.872 3.564 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)s2)[C@H](C)C1 ZINC000174769819 1126773035 /nfs/dbraw/zinc/77/30/35/1126773035.db2.gz GGCYYGRZRZAVAY-DGCLKSJQSA-N 2 1 286.872 3.564 20 0 CHADMP CC[C@@H]1C[N@H+]([C@H](C)c2ccc3ccccc3c2)CC[C@H]1[NH3+] ZINC000251856118 1126797747 /nfs/dbraw/zinc/79/77/47/1126797747.db2.gz SGFIATYFLGOKKH-SPYBWZPUSA-N 2 1 282.431 3.960 20 0 CHADMP CC(C)[NH+](CCC[NH2+][C@H]1CCc2cc(F)ccc21)C(C)C ZINC000483853411 1126803722 /nfs/dbraw/zinc/80/37/22/1126803722.db2.gz UYDNZRLEDALOSW-SFHVURJKSA-N 2 1 292.442 3.912 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000484625115 1126837017 /nfs/dbraw/zinc/83/70/17/1126837017.db2.gz SXDGXSPXRPJMFB-QYZOEREBSA-N 2 1 286.463 3.787 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000484625114 1126837037 /nfs/dbraw/zinc/83/70/37/1126837037.db2.gz SXDGXSPXRPJMFB-QRVBRYPASA-N 2 1 286.463 3.787 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000904311645 1126844011 /nfs/dbraw/zinc/84/40/11/1126844011.db2.gz GVNPNPKGJHBQTH-JMSVASOKSA-N 2 1 278.827 3.603 20 0 CHADMP [NH3+][C@H]1C[C@@H](C[N@@H+](Cc2ccccc2)Cc2ccc(F)cc2)C1 ZINC000904309328 1126844478 /nfs/dbraw/zinc/84/44/78/1126844478.db2.gz HQLWUCCDKDYSCM-IZAXUBKRSA-N 2 1 298.405 3.565 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252414095 1126853653 /nfs/dbraw/zinc/85/36/53/1126853653.db2.gz GRZZCLVXZYBMMO-FRFSOERESA-N 2 1 292.854 3.865 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252414095 1126853656 /nfs/dbraw/zinc/85/36/56/1126853656.db2.gz GRZZCLVXZYBMMO-FRFSOERESA-N 2 1 292.854 3.865 20 0 CHADMP CC[C@H](CSc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000181666998 1126859946 /nfs/dbraw/zinc/85/99/46/1126859946.db2.gz PLRHBWRKSNKRKK-OAGGEKHMSA-N 2 1 292.492 3.630 20 0 CHADMP CC[C@H](CSc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181666998 1126859950 /nfs/dbraw/zinc/85/99/50/1126859950.db2.gz PLRHBWRKSNKRKK-OAGGEKHMSA-N 2 1 292.492 3.630 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cc2ccccc2o1 ZINC000182624000 1126874715 /nfs/dbraw/zinc/87/47/15/1126874715.db2.gz VGAKTEKVPJDQCS-HIFRSBDPSA-N 2 1 272.392 3.568 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cc2ccccc2o1 ZINC000182624000 1126874718 /nfs/dbraw/zinc/87/47/18/1126874718.db2.gz VGAKTEKVPJDQCS-HIFRSBDPSA-N 2 1 272.392 3.568 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cc2ccccc2o1 ZINC000182624033 1126875218 /nfs/dbraw/zinc/87/52/18/1126875218.db2.gz VGAKTEKVPJDQCS-UKRRQHHQSA-N 2 1 272.392 3.568 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cc2ccccc2o1 ZINC000182624033 1126875221 /nfs/dbraw/zinc/87/52/21/1126875221.db2.gz VGAKTEKVPJDQCS-UKRRQHHQSA-N 2 1 272.392 3.568 20 0 CHADMP CCC[N@H+](C/C=C/c1ccc(F)c(F)c1)CCC[NH+](C)C ZINC000568917710 1126906748 /nfs/dbraw/zinc/90/67/48/1126906748.db2.gz CPFKWKOZRKAJRK-FNORWQNLSA-N 2 1 296.405 3.642 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000187718357 1126913937 /nfs/dbraw/zinc/91/39/37/1126913937.db2.gz VUBISRZHFBWLOR-QUCCMNQESA-N 2 1 298.474 3.713 20 0 CHADMP C[C@@]1(c2ccccc2)CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000187718340 1126913979 /nfs/dbraw/zinc/91/39/79/1126913979.db2.gz VUBISRZHFBWLOR-AZUAARDMSA-N 2 1 298.474 3.713 20 0 CHADMP CC[N@@H+](Cc1c(C)cc(Cl)cc1C)C1CC[NH2+]CC1 ZINC001235764877 1130778490 /nfs/dbraw/zinc/77/84/90/1130778490.db2.gz NNGORKHXXUGHIH-UHFFFAOYSA-N 2 1 280.843 3.531 20 0 CHADMP CCC1(CC)CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000485888450 1126960949 /nfs/dbraw/zinc/96/09/49/1126960949.db2.gz KOVWZIMKLWWHAU-MRXNPFEDSA-N 2 1 266.473 3.763 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cccc(O)c2)c1 ZINC000194883541 1126977541 /nfs/dbraw/zinc/97/75/41/1126977541.db2.gz XVVLEMPCCLIWJB-OAHLLOKOSA-N 2 1 298.430 3.695 20 0 CHADMP CSc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000194919466 1126977821 /nfs/dbraw/zinc/97/78/21/1126977821.db2.gz AZMZMJYWQDIBBB-CQSZACIVSA-N 2 1 292.492 3.932 20 0 CHADMP Cc1c(Cl)ccc(C[N@H+](C)C2(C)CC[NH2+]CC2)c1C ZINC001236227711 1130896734 /nfs/dbraw/zinc/89/67/34/1130896734.db2.gz KBFNLOKPYVPPED-UHFFFAOYSA-N 2 1 280.843 3.531 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000268826055 1127025106 /nfs/dbraw/zinc/02/51/06/1127025106.db2.gz QZJQBYUEEJGQLG-SNVBAGLBSA-N 2 1 298.217 3.849 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000268850053 1127025966 /nfs/dbraw/zinc/02/59/66/1127025966.db2.gz KBAAUHJKWXLQRU-IBGZPJMESA-N 2 1 297.446 3.501 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CCc1cccc(C)c1 ZINC000268871256 1127026480 /nfs/dbraw/zinc/02/64/80/1127026480.db2.gz OZTJDPBDDNVCNW-INIZCTEOSA-N 2 1 285.435 3.501 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000268856957 1127026556 /nfs/dbraw/zinc/02/65/56/1127026556.db2.gz LPOCKXOXTJWNTL-OAHLLOKOSA-N 2 1 271.408 3.549 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000268866593 1127026613 /nfs/dbraw/zinc/02/66/13/1127026613.db2.gz NWPIFAXJHPBSFV-RBUKOAKNSA-N 2 1 297.446 3.583 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000270648736 1127059895 /nfs/dbraw/zinc/05/98/95/1127059895.db2.gz LGEXGKYVVJWUOO-INIZCTEOSA-N 2 1 271.408 3.569 20 0 CHADMP Cc1ccncc1[C@@H](C)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000271471104 1127084491 /nfs/dbraw/zinc/08/44/91/1127084491.db2.gz RBFVVWWNVRMHMP-MRXNPFEDSA-N 2 1 289.467 3.695 20 0 CHADMP Cc1ccncc1[C@@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000271471104 1127084494 /nfs/dbraw/zinc/08/44/94/1127084494.db2.gz RBFVVWWNVRMHMP-MRXNPFEDSA-N 2 1 289.467 3.695 20 0 CHADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000349246824 1127144193 /nfs/dbraw/zinc/14/41/93/1127144193.db2.gz NDCNLZXHPINJFI-CVYDXHPNSA-N 2 1 284.447 3.760 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](C)CCc1ccccc1 ZINC000349415204 1127150529 /nfs/dbraw/zinc/15/05/29/1127150529.db2.gz HXYDYGRSTONRED-KRWDZBQOSA-N 2 1 299.462 3.782 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](C)CCc1ccccc1 ZINC000349415204 1127150531 /nfs/dbraw/zinc/15/05/31/1127150531.db2.gz HXYDYGRSTONRED-KRWDZBQOSA-N 2 1 299.462 3.782 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc2occc2c1 ZINC000349405442 1127150627 /nfs/dbraw/zinc/15/06/27/1127150627.db2.gz INKRODJBPLJAFM-UHFFFAOYSA-N 2 1 274.408 3.597 20 0 CHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2coc3ccccc23)CC1 ZINC000349818485 1127163010 /nfs/dbraw/zinc/16/30/10/1127163010.db2.gz JSPYPEUCCHTZND-UHFFFAOYSA-N 2 1 286.419 3.737 20 0 CHADMP Cn1c[nH+]cc1CCC[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000571892097 1127179177 /nfs/dbraw/zinc/17/91/77/1127179177.db2.gz XUMZCPMHVCEGHR-UHFFFAOYSA-N 2 1 291.826 3.531 20 0 CHADMP CC/C=C\CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000466806339 1127212390 /nfs/dbraw/zinc/21/23/90/1127212390.db2.gz SRHVVFPPSFEENO-PHWHVTFISA-N 2 1 286.463 3.797 20 0 CHADMP CC/C=C\CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000466806339 1127212392 /nfs/dbraw/zinc/21/23/92/1127212392.db2.gz SRHVVFPPSFEENO-PHWHVTFISA-N 2 1 286.463 3.797 20 0 CHADMP CC/C=C\CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000466806339 1127212394 /nfs/dbraw/zinc/21/23/94/1127212394.db2.gz SRHVVFPPSFEENO-PHWHVTFISA-N 2 1 286.463 3.797 20 0 CHADMP Cc1c[nH+]ccc1OC1CC[NH+](CCC(C)(C)C)CC1 ZINC000352348610 1127226054 /nfs/dbraw/zinc/22/60/54/1127226054.db2.gz BQXHOTFMXCGFTD-UHFFFAOYSA-N 2 1 276.424 3.669 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CCC(C)C)c1ccoc1 ZINC000286084925 1127258053 /nfs/dbraw/zinc/25/80/53/1127258053.db2.gz MMWBXFBJHRCOOQ-INIZCTEOSA-N 2 1 275.396 3.552 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000590786574 1127272625 /nfs/dbraw/zinc/27/26/25/1127272625.db2.gz HSVURYXPCUYWQI-UHFFFAOYSA-N 2 1 294.870 3.892 20 0 CHADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000353571435 1127270439 /nfs/dbraw/zinc/27/04/39/1127270439.db2.gz PERLZXZWGAOHMR-OLZOCXBDSA-N 2 1 276.415 3.519 20 0 CHADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000353571435 1127270442 /nfs/dbraw/zinc/27/04/42/1127270442.db2.gz PERLZXZWGAOHMR-OLZOCXBDSA-N 2 1 276.415 3.519 20 0 CHADMP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC)C1 ZINC001117550039 1131188778 /nfs/dbraw/zinc/18/87/78/1131188778.db2.gz IGXJDWMDHQMXER-ARFHVFGLSA-N 2 1 254.462 3.523 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000669418360 1127316589 /nfs/dbraw/zinc/31/65/89/1127316589.db2.gz BUWGQGZZJKQRCW-LVQVYYBASA-N 2 1 292.492 3.562 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]C1(c2ccc(C)cc2)CCC1 ZINC000646130775 1127322601 /nfs/dbraw/zinc/32/26/01/1127322601.db2.gz HXCLPSHUKLZAOF-UHFFFAOYSA-N 2 1 283.419 3.559 20 0 CHADMP Cc1ccc([C@@H](C)[N@@H+](C)CCC2CC[NH2+]CC2)c(C)c1 ZINC000479688400 1127349099 /nfs/dbraw/zinc/34/90/99/1127349099.db2.gz HFPCYSBUIBBGST-MRXNPFEDSA-N 2 1 274.452 3.686 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(C)(C)C ZINC000480646774 1127376160 /nfs/dbraw/zinc/37/61/60/1127376160.db2.gz ZRMQAFKFSDNMFH-OWCLPIDISA-N 2 1 268.489 3.769 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2SC)C[C@@H]1C ZINC000358030281 1127397698 /nfs/dbraw/zinc/39/76/98/1127397698.db2.gz GLSZARZKBRBTER-GOEBONIOSA-N 2 1 292.492 3.713 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2SC)C[C@@H]1C ZINC000358030281 1127397702 /nfs/dbraw/zinc/39/77/02/1127397702.db2.gz GLSZARZKBRBTER-GOEBONIOSA-N 2 1 292.492 3.713 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2SC)C[C@@H]1C ZINC000358030281 1127397706 /nfs/dbraw/zinc/39/77/06/1127397706.db2.gz GLSZARZKBRBTER-GOEBONIOSA-N 2 1 292.492 3.713 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2SC)C[C@@H]1C ZINC000358030281 1127397711 /nfs/dbraw/zinc/39/77/11/1127397711.db2.gz GLSZARZKBRBTER-GOEBONIOSA-N 2 1 292.492 3.713 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(F)F)cc2)C[C@H]1C ZINC000359615226 1127469898 /nfs/dbraw/zinc/46/98/98/1127469898.db2.gz WZFMENWIAITILV-CZUORRHYSA-N 2 1 296.405 3.929 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(F)F)cc2)C[C@H]1C ZINC000359615226 1127469900 /nfs/dbraw/zinc/46/99/00/1127469900.db2.gz WZFMENWIAITILV-CZUORRHYSA-N 2 1 296.405 3.929 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(F)F)cc2)C[C@H]1C ZINC000359615226 1127469903 /nfs/dbraw/zinc/46/99/03/1127469903.db2.gz WZFMENWIAITILV-CZUORRHYSA-N 2 1 296.405 3.929 20 0 CHADMP Cc1ccc([C@@H](C)C[NH2+]C(C)(C)C[NH+]2CCCC2)cc1 ZINC001308824140 1127497938 /nfs/dbraw/zinc/49/79/38/1127497938.db2.gz CVCSRPGAKTZGIP-INIZCTEOSA-N 2 1 274.452 3.563 20 0 CHADMP CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cc(F)ccc1F ZINC000360426203 1127498895 /nfs/dbraw/zinc/49/88/95/1127498895.db2.gz FOZIBDFLSDSUEH-SUMWQHHRSA-N 2 1 296.405 3.737 20 0 CHADMP CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cc(F)ccc1F ZINC000360426202 1127498986 /nfs/dbraw/zinc/49/89/86/1127498986.db2.gz FOZIBDFLSDSUEH-GUYCJALGSA-N 2 1 296.405 3.737 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC000293657348 1127511410 /nfs/dbraw/zinc/51/14/10/1127511410.db2.gz LSBYBJFYDWXZHV-ZHALLVOQSA-N 2 1 284.447 3.589 20 0 CHADMP CC[C@H]([NH2+][C@H](C)CC[NH+](C)C)c1cc(Cl)ccc1OC ZINC000360858989 1127515938 /nfs/dbraw/zinc/51/59/38/1127515938.db2.gz MNQJOUWNOCSTFO-DOMZBBRYSA-N 2 1 298.858 3.730 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CCc1ccsc1 ZINC000360966591 1127524880 /nfs/dbraw/zinc/52/48/80/1127524880.db2.gz QAHXWROGFIWCQU-UONOGXRCSA-N 2 1 291.464 3.500 20 0 CHADMP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000361080010 1127536203 /nfs/dbraw/zinc/53/62/03/1127536203.db2.gz NVPNLNYOVZYPQL-DYVFJYSZSA-N 2 1 299.462 3.665 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(F)cc1F ZINC000361972067 1127604027 /nfs/dbraw/zinc/60/40/27/1127604027.db2.gz OZKDZHJBFNPUBM-CPUCHLNUSA-N 2 1 296.405 3.878 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)c2ccsc2)C1 ZINC000295917404 1127657503 /nfs/dbraw/zinc/65/75/03/1127657503.db2.gz JNADLDQYLVOZHD-UKRRQHHQSA-N 2 1 266.454 3.521 20 0 CHADMP c1ccc([C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C2CC2)cc1 ZINC000366436940 1127745953 /nfs/dbraw/zinc/74/59/53/1127745953.db2.gz WDHUPWZXCJFHNS-CTWPCTMYSA-N 2 1 284.447 3.744 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000372311770 1127795118 /nfs/dbraw/zinc/79/51/18/1127795118.db2.gz OBMRSPDVQZNYAJ-GOSISDBHSA-N 2 1 283.419 3.727 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000372311770 1127795120 /nfs/dbraw/zinc/79/51/20/1127795120.db2.gz OBMRSPDVQZNYAJ-GOSISDBHSA-N 2 1 283.419 3.727 20 0 CHADMP C[C@@H]1CCC[NH+](C/C=C/C[N@@H+]2CCC[C@H](C)[C@@H]2C)[C@@H]1C ZINC000607740358 1127822451 /nfs/dbraw/zinc/82/24/51/1127822451.db2.gz NGCWKCNMOFGQLQ-OKCGKKNSSA-N 2 1 278.484 3.783 20 0 CHADMP C[C@@H]1CCC[N@@H+](C/C=C/C[NH+]2CCC[C@H](C)[C@@H]2C)[C@@H]1C ZINC000607740358 1127822455 /nfs/dbraw/zinc/82/24/55/1127822455.db2.gz NGCWKCNMOFGQLQ-OKCGKKNSSA-N 2 1 278.484 3.783 20 0 CHADMP C[C@@H]1CCC[N@H+](C/C=C/C[NH+]2CCC[C@H](C)[C@@H]2C)[C@@H]1C ZINC000607740358 1127822458 /nfs/dbraw/zinc/82/24/58/1127822458.db2.gz NGCWKCNMOFGQLQ-OKCGKKNSSA-N 2 1 278.484 3.783 20 0 CHADMP Cc1cscc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000373293473 1127832819 /nfs/dbraw/zinc/83/28/19/1127832819.db2.gz UHMCDPVVMIWJAC-UHFFFAOYSA-N 2 1 292.492 3.943 20 0 CHADMP C[N@@H+]1CCC[C@H](C[NH2+]CC(C)(C)C)[C@H]1c1cccs1 ZINC000608059383 1127841924 /nfs/dbraw/zinc/84/19/24/1127841924.db2.gz CQAVFAFIQKNVKE-HIFRSBDPSA-N 2 1 280.481 3.767 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+]CC(C)(C)C)[C@H]1c1cccs1 ZINC000608059383 1127841927 /nfs/dbraw/zinc/84/19/27/1127841927.db2.gz CQAVFAFIQKNVKE-HIFRSBDPSA-N 2 1 280.481 3.767 20 0 CHADMP C[NH+](CCCCCC[N@H+](C)C1CCC1)C1CCC1 ZINC000173617696 1127841372 /nfs/dbraw/zinc/84/13/72/1127841372.db2.gz WEQZUNLFUSMVKY-UHFFFAOYSA-N 2 1 252.446 3.515 20 0 CHADMP C[C@H]1Cc2ccccc2[C@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373522039 1127847989 /nfs/dbraw/zinc/84/79/89/1127847989.db2.gz LTXJUPAJGKMQCH-TXIZYHGNSA-N 2 1 284.447 3.526 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)CC[C@H]2CCc3ccccc32)CC[N@@H+]1C ZINC000659983248 1127874172 /nfs/dbraw/zinc/87/41/72/1127874172.db2.gz HVNZHPDTTAITJM-KBAYOESNSA-N 2 1 286.463 3.521 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)CC[C@H]2CCc3ccccc32)CC[N@H+]1C ZINC000659983248 1127874174 /nfs/dbraw/zinc/87/41/74/1127874174.db2.gz HVNZHPDTTAITJM-KBAYOESNSA-N 2 1 286.463 3.521 20 0 CHADMP C[C@@H]1C[C@H]([N@H+](C)CC[C@H]2CCc3ccccc32)CC[NH+]1C ZINC000659983248 1127874177 /nfs/dbraw/zinc/87/41/77/1127874177.db2.gz HVNZHPDTTAITJM-KBAYOESNSA-N 2 1 286.463 3.521 20 0 CHADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@H]2CCc3ccccc32)CC[NH+]1C ZINC000659983248 1127874180 /nfs/dbraw/zinc/87/41/80/1127874180.db2.gz HVNZHPDTTAITJM-KBAYOESNSA-N 2 1 286.463 3.521 20 0 CHADMP C[C@@H](c1cccc(F)c1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374158416 1127876106 /nfs/dbraw/zinc/87/61/06/1127876106.db2.gz HICXAYSIZSGNFO-HNNXBMFYSA-N 2 1 290.426 3.695 20 0 CHADMP C[C@@H]1CC[C@H](C)[NH+](C/C=C\C[N@H+]2C[C@H](C)CC[C@@H]2C)C1 ZINC000608578134 1127878866 /nfs/dbraw/zinc/87/88/66/1127878866.db2.gz OINAYINUUHXNGU-QXINXSKUSA-N 2 1 278.484 3.783 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000535468476 1127916583 /nfs/dbraw/zinc/91/65/83/1127916583.db2.gz IXVXBINEZWCZDO-QZTJIDSGSA-N 2 1 290.426 3.741 20 0 CHADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000535466786 1127916649 /nfs/dbraw/zinc/91/66/49/1127916649.db2.gz YHRYMVCBZGVMDF-RHSMWYFYSA-N 2 1 294.870 3.687 20 0 CHADMP C[C@H](Cc1ccc(Cl)cc1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000535466786 1127916650 /nfs/dbraw/zinc/91/66/50/1127916650.db2.gz YHRYMVCBZGVMDF-RHSMWYFYSA-N 2 1 294.870 3.687 20 0 CHADMP C[C@H](Cc1ccc(Cl)cc1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000535466786 1127916651 /nfs/dbraw/zinc/91/66/51/1127916651.db2.gz YHRYMVCBZGVMDF-RHSMWYFYSA-N 2 1 294.870 3.687 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000535468478 1127917294 /nfs/dbraw/zinc/91/72/94/1127917294.db2.gz IXVXBINEZWCZDO-ROUUACIJSA-N 2 1 290.426 3.741 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccnc3ccccc23)C[C@H]1C ZINC000539816842 1127941662 /nfs/dbraw/zinc/94/16/62/1127941662.db2.gz HAJOTDHWUJYASV-NVXWUHKLSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccnc3ccccc23)C[C@H]1C ZINC000539816842 1127941665 /nfs/dbraw/zinc/94/16/65/1127941665.db2.gz HAJOTDHWUJYASV-NVXWUHKLSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccnc3ccccc23)C[C@H]1C ZINC000539816842 1127941667 /nfs/dbraw/zinc/94/16/67/1127941667.db2.gz HAJOTDHWUJYASV-NVXWUHKLSA-N 2 1 297.446 3.539 20 0 CHADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C)cc(Cl)cc2C)C1 ZINC000539851246 1127948619 /nfs/dbraw/zinc/94/86/19/1127948619.db2.gz WLTIXAORKGAIDB-HNNXBMFYSA-N 2 1 294.870 3.730 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)cc(Cl)cc2C)C1 ZINC000539851246 1127948622 /nfs/dbraw/zinc/94/86/22/1127948622.db2.gz WLTIXAORKGAIDB-HNNXBMFYSA-N 2 1 294.870 3.730 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)cc(Cl)cc2C)C1 ZINC000539851246 1127948625 /nfs/dbraw/zinc/94/86/25/1127948625.db2.gz WLTIXAORKGAIDB-HNNXBMFYSA-N 2 1 294.870 3.730 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)cc(Cl)cc2C)C1 ZINC000539851246 1127948628 /nfs/dbraw/zinc/94/86/28/1127948628.db2.gz WLTIXAORKGAIDB-HNNXBMFYSA-N 2 1 294.870 3.730 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(CC)(CC)CC)C1 ZINC000543876513 1127951767 /nfs/dbraw/zinc/95/17/67/1127951767.db2.gz PWACYFXQZHCTMD-INIZCTEOSA-N 2 1 268.489 3.867 20 0 CHADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000540052443 1127958928 /nfs/dbraw/zinc/95/89/28/1127958928.db2.gz DKVGALRZCHSZPU-SFNKJDCFSA-N 2 1 290.495 3.761 20 0 CHADMP C[C@@H]1CCC[C@H](CCN2CCC3(CCC[N@H+]3C)CC2)C1 ZINC000544131897 1127960118 /nfs/dbraw/zinc/96/01/18/1127960118.db2.gz GUECKNWUPSPNPD-IAGOWNOFSA-N 2 1 278.484 3.763 20 0 CHADMP C[C@@H]1CCC[C@H](CC[NH+]2CCC3(CCC[N@@H+]3C)CC2)C1 ZINC000544131897 1127960120 /nfs/dbraw/zinc/96/01/20/1127960120.db2.gz GUECKNWUPSPNPD-IAGOWNOFSA-N 2 1 278.484 3.763 20 0 CHADMP C[C@@H]1CCC[C@H](CC[NH+]2CCC3(CCC[N@H+]3C)CC2)C1 ZINC000544131897 1127960122 /nfs/dbraw/zinc/96/01/22/1127960122.db2.gz GUECKNWUPSPNPD-IAGOWNOFSA-N 2 1 278.484 3.763 20 0 CHADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC000467384977 1127967258 /nfs/dbraw/zinc/96/72/58/1127967258.db2.gz LGIQEHCBGIFSFW-DOTOQJQBSA-N 2 1 278.484 3.809 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC000467384977 1127967259 /nfs/dbraw/zinc/96/72/59/1127967259.db2.gz LGIQEHCBGIFSFW-DOTOQJQBSA-N 2 1 278.484 3.809 20 0 CHADMP Cc1ccc([C@@H]2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)cc1 ZINC000544190663 1127962790 /nfs/dbraw/zinc/96/27/90/1127962790.db2.gz QTZUZFCIGZCZLB-RTBURBONSA-N 2 1 286.463 3.659 20 0 CHADMP Cc1ccc([C@@H]2CC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)cc1 ZINC000544190663 1127962792 /nfs/dbraw/zinc/96/27/92/1127962792.db2.gz QTZUZFCIGZCZLB-RTBURBONSA-N 2 1 286.463 3.659 20 0 CHADMP Cc1ccc([C@@H]2CC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)cc1 ZINC000544190663 1127962794 /nfs/dbraw/zinc/96/27/94/1127962794.db2.gz QTZUZFCIGZCZLB-RTBURBONSA-N 2 1 286.463 3.659 20 0 CHADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cc3c(s2)CCC3)CC1 ZINC000540175599 1127966124 /nfs/dbraw/zinc/96/61/24/1127966124.db2.gz IZVSCPAFNPKARL-CYBMUJFWSA-N 2 1 292.492 3.760 20 0 CHADMP CCc1ccc([C@H]([NH2+]C[C@@H]2CC[N@H+](CC)C2)C(C)C)cc1 ZINC000540259196 1127971994 /nfs/dbraw/zinc/97/19/94/1127971994.db2.gz ONPUGBHIWUKNPA-PKOBYXMFSA-N 2 1 288.479 3.878 20 0 CHADMP C[C@H](C[NH2+]C[C@@H]1C[C@H]1c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000540549679 1127984126 /nfs/dbraw/zinc/98/41/26/1127984126.db2.gz SQULWCAXMHQSCR-FPAYPSAMSA-N 2 1 286.463 3.643 20 0 CHADMP C[C@H](C[NH2+]C[C@@H]1C[C@H]1c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000540549679 1127984127 /nfs/dbraw/zinc/98/41/27/1127984127.db2.gz SQULWCAXMHQSCR-FPAYPSAMSA-N 2 1 286.463 3.643 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-c3ccccc3)c2)CC[N@H+]1C ZINC000540606902 1127985830 /nfs/dbraw/zinc/98/58/30/1127985830.db2.gz INVUPOGQARTBOV-UZLBHIALSA-N 2 1 294.442 3.926 20 0 CHADMP CCC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000540606401 1127986203 /nfs/dbraw/zinc/98/62/03/1127986203.db2.gz GZIWGMYFBBOGPA-NXHRZFHOSA-N 2 1 274.452 3.643 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cc2C)[C@H](C)C1 ZINC000468392763 1128005868 /nfs/dbraw/zinc/00/58/68/1128005868.db2.gz NGBLMOVHLXMAIX-PBHICJAKSA-N 2 1 294.870 3.811 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2C)[C@H](C)C1 ZINC000468392763 1128005871 /nfs/dbraw/zinc/00/58/71/1128005871.db2.gz NGBLMOVHLXMAIX-PBHICJAKSA-N 2 1 294.870 3.811 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2C)[C@H](C)C1 ZINC000468392763 1128005877 /nfs/dbraw/zinc/00/58/77/1128005877.db2.gz NGBLMOVHLXMAIX-PBHICJAKSA-N 2 1 294.870 3.811 20 0 CHADMP Cc1cccc(C)c1[C@@H](C)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000545517629 1128019009 /nfs/dbraw/zinc/01/90/09/1128019009.db2.gz RBDGRXFCVKFZNH-IAGOWNOFSA-N 2 1 274.452 3.828 20 0 CHADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000469873909 1128056616 /nfs/dbraw/zinc/05/66/16/1128056616.db2.gz OJCKOMXSKLRRCO-UHOSZYNNSA-N 2 1 286.463 3.644 20 0 CHADMP c1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000469873123 1128056818 /nfs/dbraw/zinc/05/68/18/1128056818.db2.gz XUBQYIKVWGDMCM-AEFFLSMTSA-N 2 1 272.436 3.603 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCc2ccc(C(C)C)cc2)C1 ZINC000469968954 1128059133 /nfs/dbraw/zinc/05/91/33/1128059133.db2.gz HQHPNIRBIOGTDP-SFHVURJKSA-N 2 1 288.479 3.626 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCc2ccc(C(C)C)cc2)C1 ZINC000469968954 1128059136 /nfs/dbraw/zinc/05/91/36/1128059136.db2.gz HQHPNIRBIOGTDP-SFHVURJKSA-N 2 1 288.479 3.626 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccc(C(C)C)cc2)C1 ZINC000469968954 1128059141 /nfs/dbraw/zinc/05/91/41/1128059141.db2.gz HQHPNIRBIOGTDP-SFHVURJKSA-N 2 1 288.479 3.626 20 0 CHADMP Cc1ccccc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000469991653 1128061300 /nfs/dbraw/zinc/06/13/00/1128061300.db2.gz NCGPMTWWBNVFAO-UZLBHIALSA-N 2 1 294.442 3.831 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C(C)C)C2)[C@H](C)C1 ZINC000470167244 1128064023 /nfs/dbraw/zinc/06/40/23/1128064023.db2.gz NVGUDXRGVXBQDD-VQHPVUNQSA-N 2 1 266.473 3.521 20 0 CHADMP CC(C)CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000303511180 1128070240 /nfs/dbraw/zinc/07/02/40/1128070240.db2.gz BLMMMZXKTCHWJA-DLBZAZTESA-N 2 1 266.473 3.619 20 0 CHADMP CC(C)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000303511180 1128070244 /nfs/dbraw/zinc/07/02/44/1128070244.db2.gz BLMMMZXKTCHWJA-DLBZAZTESA-N 2 1 266.473 3.619 20 0 CHADMP CC(C)CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000303511180 1128070249 /nfs/dbraw/zinc/07/02/49/1128070249.db2.gz BLMMMZXKTCHWJA-DLBZAZTESA-N 2 1 266.473 3.619 20 0 CHADMP CCC[C@H](CC)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001257245096 1128078727 /nfs/dbraw/zinc/07/87/27/1128078727.db2.gz JTWHGVDOEAAOHG-XHSDSOJGSA-N 2 1 254.462 3.523 20 0 CHADMP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470957686 1128084601 /nfs/dbraw/zinc/08/46/01/1128084601.db2.gz FSFOCNIPMNVUNJ-ZBFHGGJFSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470957686 1128084605 /nfs/dbraw/zinc/08/46/05/1128084605.db2.gz FSFOCNIPMNVUNJ-ZBFHGGJFSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@H](c1ccc(F)cc1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470957686 1128084609 /nfs/dbraw/zinc/08/46/09/1128084609.db2.gz FSFOCNIPMNVUNJ-ZBFHGGJFSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@H](c1ccc(F)cc1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470957686 1128084612 /nfs/dbraw/zinc/08/46/12/1128084612.db2.gz FSFOCNIPMNVUNJ-ZBFHGGJFSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccns1 ZINC000924684163 1128109796 /nfs/dbraw/zinc/10/97/96/1128109796.db2.gz JFDHRDSOAKVNKG-ZNMIVQPWSA-N 2 1 295.496 3.552 20 0 CHADMP C[NH+](C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)C1CCCCC1 ZINC000924693887 1128110040 /nfs/dbraw/zinc/11/00/40/1128110040.db2.gz ILVLEQBQPDPIRD-NPYXIHBLSA-N 2 1 296.524 3.513 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1coc2ccccc21 ZINC000924950699 1128117607 /nfs/dbraw/zinc/11/76/07/1128117607.db2.gz KBJMVEVJJPGEGL-KGLIPLIRSA-N 2 1 297.402 3.925 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000252155304 1128121226 /nfs/dbraw/zinc/12/12/26/1128121226.db2.gz NDWCCSVFXITPQB-CVEARBPZSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@H]([NH2+][C@@H]1C=CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309868869 1128125435 /nfs/dbraw/zinc/12/54/35/1128125435.db2.gz QINYNHJLPMTPIV-YTQUADARSA-N 2 1 284.447 3.595 20 0 CHADMP CCCCCOc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205094314 1128125877 /nfs/dbraw/zinc/12/58/77/1128125877.db2.gz LFOWKPCHVTUQFC-KRWDZBQOSA-N 2 1 290.451 3.569 20 0 CHADMP CCCCCOc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205094319 1128125962 /nfs/dbraw/zinc/12/59/62/1128125962.db2.gz LFOWKPCHVTUQFC-QGZVFWFLSA-N 2 1 290.451 3.569 20 0 CHADMP CCC(CC)c1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)on1 ZINC000925514473 1128130402 /nfs/dbraw/zinc/13/04/02/1128130402.db2.gz FOSTZGBGWBYCLM-ZIAGYGMSSA-N 2 1 293.455 3.574 20 0 CHADMP C[C@@H](Cc1cccc(F)c1)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001168456075 1128133796 /nfs/dbraw/zinc/13/37/96/1128133796.db2.gz NOWILDRKUAJLOR-HNNXBMFYSA-N 2 1 292.442 3.740 20 0 CHADMP c1ccc([C@@H]2C[C@H]([NH2+]C3(C4CC4)CC3)CC[N@H+]2C2CC2)cc1 ZINC000925895814 1128145245 /nfs/dbraw/zinc/14/52/45/1128145245.db2.gz CQNHNUIRJKKRKC-MJGOQNOKSA-N 2 1 296.458 3.887 20 0 CHADMP c1ccc([C@@H]2C[C@H]([NH2+]C3(C4CC4)CC3)CC[N@@H+]2C2CC2)cc1 ZINC000925895814 1128145247 /nfs/dbraw/zinc/14/52/47/1128145247.db2.gz CQNHNUIRJKKRKC-MJGOQNOKSA-N 2 1 296.458 3.887 20 0 CHADMP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000925825651 1128143269 /nfs/dbraw/zinc/14/32/69/1128143269.db2.gz BDCOHGBICKZFPF-NXOUGTEYSA-N 2 1 284.378 3.930 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000494099745 1128154995 /nfs/dbraw/zinc/15/49/95/1128154995.db2.gz SWRVYLJQUYTUQK-UHFFFAOYSA-N 2 1 296.418 3.585 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000494099745 1128154997 /nfs/dbraw/zinc/15/49/97/1128154997.db2.gz SWRVYLJQUYTUQK-UHFFFAOYSA-N 2 1 296.418 3.585 20 0 CHADMP CC(C)[NH+](CC[NH2+][C@H]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC000252191364 1128162632 /nfs/dbraw/zinc/16/26/32/1128162632.db2.gz UZGJHJQJMOWMNL-ZSHCYNCHSA-N 2 1 254.462 3.520 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1coc2ccccc12 ZINC000926541129 1128179629 /nfs/dbraw/zinc/17/96/29/1128179629.db2.gz KXAKZBUBCRSZTC-FFHGMXDLSA-N 2 1 284.403 3.709 20 0 CHADMP Cc1ccc2cc([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)oc2c1 ZINC000495249377 1128253542 /nfs/dbraw/zinc/25/35/42/1128253542.db2.gz GPKGPVCLDUQCOP-CQSZACIVSA-N 2 1 288.435 3.980 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCC(F)(F)C2)[C@H](C)C1 ZINC000495001054 1128222115 /nfs/dbraw/zinc/22/21/15/1128222115.db2.gz VYQZAOMFHFQJEQ-KFWWJZLASA-N 2 1 288.426 3.522 20 0 CHADMP CCC[C@@H](C)[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001257327092 1128236177 /nfs/dbraw/zinc/23/61/77/1128236177.db2.gz GWYWKBVLQYDYEZ-OAHLLOKOSA-N 2 1 266.473 3.904 20 0 CHADMP C[C@@H](c1ccc2ccccc2c1)[NH+]1CCC([NH+](C)C)CC1 ZINC000193413410 1128293093 /nfs/dbraw/zinc/29/30/93/1128293093.db2.gz VFXPCXIKFAHRFJ-HNNXBMFYSA-N 2 1 282.431 3.927 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)[C@H]1C[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000322341074 1128342260 /nfs/dbraw/zinc/34/22/60/1128342260.db2.gz RKBAYROHAUGTFH-SMYFESCOSA-N 2 1 286.463 3.531 20 0 CHADMP C[C@H](C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C(C)(C)C ZINC000670266666 1128378277 /nfs/dbraw/zinc/37/82/77/1128378277.db2.gz QTUXBQIHKUMIPW-CVEARBPZSA-N 2 1 268.489 3.913 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCc1ccsc1 ZINC000562089500 1128378636 /nfs/dbraw/zinc/37/86/36/1128378636.db2.gz BGJAIXFIZJAGIM-LSDHHAIUSA-N 2 1 282.497 3.779 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCc1ccsc1 ZINC000562089500 1128378641 /nfs/dbraw/zinc/37/86/41/1128378641.db2.gz BGJAIXFIZJAGIM-LSDHHAIUSA-N 2 1 282.497 3.779 20 0 CHADMP C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000932276910 1128403301 /nfs/dbraw/zinc/40/33/01/1128403301.db2.gz XXQRGSUXTKGHLR-VQIMIIECSA-N 2 1 297.446 3.621 20 0 CHADMP C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000932276910 1128403304 /nfs/dbraw/zinc/40/33/04/1128403304.db2.gz XXQRGSUXTKGHLR-VQIMIIECSA-N 2 1 297.446 3.621 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@H]2CCCC[C@H]2C)C1 ZINC000562522488 1128407854 /nfs/dbraw/zinc/40/78/54/1128407854.db2.gz GMIRLWPQSWQHHC-QZWWFDLISA-N 2 1 266.473 3.521 20 0 CHADMP C[C@@H](CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000562580089 1128411740 /nfs/dbraw/zinc/41/17/40/1128411740.db2.gz TWMMKOBAVNNLQG-FUHWJXTLSA-N 2 1 274.452 3.596 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(C)c(C)cc2C)C1 ZINC000037644187 1128434194 /nfs/dbraw/zinc/43/41/94/1128434194.db2.gz TXXDJRJBDZNRTP-DLBZAZTESA-N 2 1 274.452 3.604 20 0 CHADMP C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000124478851 1128444695 /nfs/dbraw/zinc/44/46/95/1128444695.db2.gz WGEAPACDOQDUOH-FHLIZLRMSA-N 2 1 290.426 3.693 20 0 CHADMP C[C@@H]1C[C@H](c2cccc(F)c2)[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000124478851 1128444698 /nfs/dbraw/zinc/44/46/98/1128444698.db2.gz WGEAPACDOQDUOH-FHLIZLRMSA-N 2 1 290.426 3.693 20 0 CHADMP C[C@@H]1C[C@H](c2cccc(F)c2)[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000124478851 1128444699 /nfs/dbraw/zinc/44/46/99/1128444699.db2.gz WGEAPACDOQDUOH-FHLIZLRMSA-N 2 1 290.426 3.693 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001257463113 1128442825 /nfs/dbraw/zinc/44/28/25/1128442825.db2.gz JFKQEKQJTYIWRQ-JYJNAYRXSA-N 2 1 254.462 3.523 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)o1 ZINC000126002048 1128460086 /nfs/dbraw/zinc/46/00/86/1128460086.db2.gz PLHZDDFPSDELBV-UKRRQHHQSA-N 2 1 266.429 3.605 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(C)cc1Cl ZINC000563251624 1128456982 /nfs/dbraw/zinc/45/69/82/1128456982.db2.gz BKEMKNIRQWEAQB-UHFFFAOYSA-N 2 1 291.826 3.723 20 0 CHADMP CCC[C@@H](C)CC[C@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001257470931 1128469919 /nfs/dbraw/zinc/46/99/19/1128469919.db2.gz MFGOBNGTRCYJPI-OWCLPIDISA-N 2 1 254.462 3.665 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2CC(C)(C)CC(C)(C)C2)CC[N@@H+]1C ZINC000127858430 1128483271 /nfs/dbraw/zinc/48/32/71/1128483271.db2.gz ZDOGIEIBMDWUOF-KBPBESRZSA-N 2 1 266.473 3.664 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2CC(C)(C)CC(C)(C)C2)CC[N@H+]1C ZINC000127858430 1128483273 /nfs/dbraw/zinc/48/32/73/1128483273.db2.gz ZDOGIEIBMDWUOF-KBPBESRZSA-N 2 1 266.473 3.664 20 0 CHADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc3c(s2)CCCC3)c2ccccc21 ZINC000564824761 1128515991 /nfs/dbraw/zinc/51/59/91/1128515991.db2.gz VBBNATBAMAZMOZ-IRXDYDNUSA-N 2 1 298.455 3.861 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000565161703 1128520651 /nfs/dbraw/zinc/52/06/51/1128520651.db2.gz HRYMWUAUMUSQSJ-GOSISDBHSA-N 2 1 297.446 3.622 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000565161703 1128520654 /nfs/dbraw/zinc/52/06/54/1128520654.db2.gz HRYMWUAUMUSQSJ-GOSISDBHSA-N 2 1 297.446 3.622 20 0 CHADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000556179090 1128560439 /nfs/dbraw/zinc/56/04/39/1128560439.db2.gz NYWRGOIPZZYMRT-OWYHZJEWSA-N 2 1 286.463 3.848 20 0 CHADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000556179090 1128560442 /nfs/dbraw/zinc/56/04/42/1128560442.db2.gz NYWRGOIPZZYMRT-OWYHZJEWSA-N 2 1 286.463 3.848 20 0 CHADMP CCC(C)(C)C1CCC([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000128560124 1128503011 /nfs/dbraw/zinc/50/30/11/1128503011.db2.gz WOBLRRKFTNIWJO-OTBWCIGPSA-N 2 1 280.500 3.911 20 0 CHADMP CCC(C)(C)C1CCC([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000128560124 1128503013 /nfs/dbraw/zinc/50/30/13/1128503013.db2.gz WOBLRRKFTNIWJO-OTBWCIGPSA-N 2 1 280.500 3.911 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC2(C)C)C[C@H]1c1ccccc1 ZINC000556192828 1128562145 /nfs/dbraw/zinc/56/21/45/1128562145.db2.gz AODOKZUTHIFTFU-YESZJQIVSA-N 2 1 272.436 3.600 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC2(C)C)C[C@H]1c1ccccc1 ZINC000556192828 1128562147 /nfs/dbraw/zinc/56/21/47/1128562147.db2.gz AODOKZUTHIFTFU-YESZJQIVSA-N 2 1 272.436 3.600 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2)C2CC2)[C@H](C)C1 ZINC000556211071 1128564362 /nfs/dbraw/zinc/56/43/62/1128564362.db2.gz YOWUDOIYZBCUAG-MNEFBYGVSA-N 2 1 286.463 3.500 20 0 CHADMP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000130121117 1128567268 /nfs/dbraw/zinc/56/72/68/1128567268.db2.gz URBYSIREIAAGAA-PMPSAXMXSA-N 2 1 290.451 3.607 20 0 CHADMP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000130121117 1128567273 /nfs/dbraw/zinc/56/72/73/1128567273.db2.gz URBYSIREIAAGAA-PMPSAXMXSA-N 2 1 290.451 3.607 20 0 CHADMP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000130121117 1128567276 /nfs/dbraw/zinc/56/72/76/1128567276.db2.gz URBYSIREIAAGAA-PMPSAXMXSA-N 2 1 290.451 3.607 20 0 CHADMP CCC[N@@H+]1CC[C@H](CNc2[nH+]ccc3c(C)cccc32)C1 ZINC000567752161 1128570948 /nfs/dbraw/zinc/57/09/48/1128570948.db2.gz ZYBUOBGUFQBIJH-OAHLLOKOSA-N 2 1 283.419 3.687 20 0 CHADMP CCC[N@H+]1CC[C@H](CNc2[nH+]ccc3c(C)cccc32)C1 ZINC000567752161 1128570949 /nfs/dbraw/zinc/57/09/49/1128570949.db2.gz ZYBUOBGUFQBIJH-OAHLLOKOSA-N 2 1 283.419 3.687 20 0 CHADMP CCC[N@H+](C)C[C@@H]1CCN(c2[nH+]ccc3c(C)cccc32)C1 ZINC000567751817 1128570989 /nfs/dbraw/zinc/57/09/89/1128570989.db2.gz ONEBEIZLGKPPMP-INIZCTEOSA-N 2 1 297.446 3.711 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2[nH+]ccc3c(C)cccc32)C1 ZINC000567751817 1128570993 /nfs/dbraw/zinc/57/09/93/1128570993.db2.gz ONEBEIZLGKPPMP-INIZCTEOSA-N 2 1 297.446 3.711 20 0 CHADMP CC1(C)C[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851351 1128573204 /nfs/dbraw/zinc/57/32/04/1128573204.db2.gz BERLAOQIZHYIMH-ROUUACIJSA-N 2 1 298.474 3.819 20 0 CHADMP CC1(C)C[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851351 1128573208 /nfs/dbraw/zinc/57/32/08/1128573208.db2.gz BERLAOQIZHYIMH-ROUUACIJSA-N 2 1 298.474 3.819 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc3c(s2)CCCC3)C1 ZINC000130264960 1128575870 /nfs/dbraw/zinc/57/58/70/1128575870.db2.gz FRSUAOLFQDGFSB-UONOGXRCSA-N 2 1 292.492 3.619 20 0 CHADMP C[C@H](c1ccccc1)[N@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000568165824 1128579881 /nfs/dbraw/zinc/57/98/81/1128579881.db2.gz YNPFMODLOYRPBK-OAHLLOKOSA-N 2 1 283.419 3.578 20 0 CHADMP C[C@H](c1ccccc1)[N@@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000568165824 1128579884 /nfs/dbraw/zinc/57/98/84/1128579884.db2.gz YNPFMODLOYRPBK-OAHLLOKOSA-N 2 1 283.419 3.578 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC(C)=C[C@@H](C)C2)C[C@@H]1C ZINC000568455912 1128585571 /nfs/dbraw/zinc/58/55/71/1128585571.db2.gz HRYCKWDYOBBLFT-UBDQQSCGSA-N 2 1 278.484 3.783 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC(C)=C[C@@H](C)C2)C[C@@H]1C ZINC000568455912 1128585573 /nfs/dbraw/zinc/58/55/73/1128585573.db2.gz HRYCKWDYOBBLFT-UBDQQSCGSA-N 2 1 278.484 3.783 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC(C)=C[C@@H](C)C2)C[C@@H]1C ZINC000568455912 1128585576 /nfs/dbraw/zinc/58/55/76/1128585576.db2.gz HRYCKWDYOBBLFT-UBDQQSCGSA-N 2 1 278.484 3.783 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000568548019 1128586577 /nfs/dbraw/zinc/58/65/77/1128586577.db2.gz ZGZHVICOCCIPTD-MVJPYGJCSA-N 2 1 298.474 3.675 20 0 CHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)C1CCCCC1 ZINC000556870852 1128633107 /nfs/dbraw/zinc/63/31/07/1128633107.db2.gz QYMNGDDVCVQBPM-BZZMCLGOSA-N 2 1 278.484 3.665 20 0 CHADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000570965644 1128635197 /nfs/dbraw/zinc/63/51/97/1128635197.db2.gz LTUNSCLNJUNOJR-CQSZACIVSA-N 2 1 286.444 3.586 20 0 CHADMP CCCCC[N@H+](CCn1cc[nH+]c1C)[C@@H](C)CCC ZINC000499067962 1128637490 /nfs/dbraw/zinc/63/74/90/1128637490.db2.gz DLMIRDPUNHXJAM-HNNXBMFYSA-N 2 1 265.445 3.872 20 0 CHADMP CCCCC[N@@H+](CCn1cc[nH+]c1C)[C@@H](C)CCC ZINC000499067962 1128637492 /nfs/dbraw/zinc/63/74/92/1128637492.db2.gz DLMIRDPUNHXJAM-HNNXBMFYSA-N 2 1 265.445 3.872 20 0 CHADMP C[C@H](C[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000571928246 1128640396 /nfs/dbraw/zinc/64/03/96/1128640396.db2.gz BSGJJFXHQDYOHO-MRXNPFEDSA-N 2 1 294.442 3.568 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000572689458 1128646930 /nfs/dbraw/zinc/64/69/30/1128646930.db2.gz MBNKDMIJJXHUBC-ZWKOTPCHSA-N 2 1 283.419 3.666 20 0 CHADMP CCC(CC)(CC)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000556933843 1128647307 /nfs/dbraw/zinc/64/73/07/1128647307.db2.gz GWZDZSAXCOMELK-QGZVFWFLSA-N 2 1 266.473 3.621 20 0 CHADMP CCC(CC)(CC)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000556933843 1128647309 /nfs/dbraw/zinc/64/73/09/1128647309.db2.gz GWZDZSAXCOMELK-QGZVFWFLSA-N 2 1 266.473 3.621 20 0 CHADMP CCC(CC)(CC)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000556933843 1128647311 /nfs/dbraw/zinc/64/73/11/1128647311.db2.gz GWZDZSAXCOMELK-QGZVFWFLSA-N 2 1 266.473 3.621 20 0 CHADMP CC(C)c1ccc(CC[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000573249502 1128652937 /nfs/dbraw/zinc/65/29/37/1128652937.db2.gz MQUPFUCTWPYYQY-APWZRJJASA-N 2 1 288.479 3.625 20 0 CHADMP CC(C)c1ccc(CC[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000573249502 1128652940 /nfs/dbraw/zinc/65/29/40/1128652940.db2.gz MQUPFUCTWPYYQY-APWZRJJASA-N 2 1 288.479 3.625 20 0 CHADMP CC(C)c1ccc(CC[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000573249502 1128652942 /nfs/dbraw/zinc/65/29/42/1128652942.db2.gz MQUPFUCTWPYYQY-APWZRJJASA-N 2 1 288.479 3.625 20 0 CHADMP CC(C)c1ccc(CC[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000573249502 1128652946 /nfs/dbraw/zinc/65/29/46/1128652946.db2.gz MQUPFUCTWPYYQY-APWZRJJASA-N 2 1 288.479 3.625 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](C)C[C@@H](C)CC(C)C)CC1 ZINC001258050572 1128692554 /nfs/dbraw/zinc/69/25/54/1128692554.db2.gz DTALDWVIPGIGTI-GJZGRUSLSA-N 2 1 254.462 3.521 20 0 CHADMP CC(C)C[C@@H](C)C[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001258054630 1128710787 /nfs/dbraw/zinc/71/07/87/1128710787.db2.gz FQFKUFLRQZYADK-CABCVRRESA-N 2 1 266.473 3.664 20 0 CHADMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccnc(Cl)c1 ZINC000159620631 1128713883 /nfs/dbraw/zinc/71/38/83/1128713883.db2.gz KZBVGELECKTESU-LLVKDONJSA-N 2 1 295.858 3.695 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H](C)CC2CCCCC2)C1 ZINC000578401317 1128716912 /nfs/dbraw/zinc/71/69/12/1128716912.db2.gz GHWWMBRYIOEQRG-AEFFLSMTSA-N 2 1 280.500 3.913 20 0 CHADMP CC(C)[C@H](c1ccccc1Cl)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647885662 1117781414 /nfs/dbraw/zinc/78/14/14/1117781414.db2.gz CACBASIDGOZBJC-CZUORRHYSA-N 2 1 280.843 3.578 20 0 CHADMP CC(C)[C@@H](c1ccccc1Cl)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647885660 1117781747 /nfs/dbraw/zinc/78/17/47/1117781747.db2.gz CACBASIDGOZBJC-BBRMVZONSA-N 2 1 280.843 3.578 20 0 CHADMP C[C@@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)c1cc2ccccc2o1 ZINC000623341081 1117835267 /nfs/dbraw/zinc/83/52/67/1117835267.db2.gz MQIYWNYALMZQND-HIFRSBDPSA-N 2 1 286.419 3.956 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1cc2ccccc2o1 ZINC000623341081 1117835273 /nfs/dbraw/zinc/83/52/73/1117835273.db2.gz MQIYWNYALMZQND-HIFRSBDPSA-N 2 1 286.419 3.956 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1cc2ccccc2o1 ZINC000623341081 1117835280 /nfs/dbraw/zinc/83/52/80/1117835280.db2.gz MQIYWNYALMZQND-HIFRSBDPSA-N 2 1 286.419 3.956 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@H](c2ccccc2)C2CC2)CC1(C)C ZINC000623344912 1117837447 /nfs/dbraw/zinc/83/74/47/1117837447.db2.gz IFWAWAZDODBSLU-DLBZAZTESA-N 2 1 272.436 3.600 20 0 CHADMP CC(C)[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623351098 1117839912 /nfs/dbraw/zinc/83/99/12/1117839912.db2.gz AYCYTOKTRNZBPB-QZTJIDSGSA-N 2 1 288.479 3.889 20 0 CHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000623357825 1117840871 /nfs/dbraw/zinc/84/08/71/1117840871.db2.gz BNGCMLCMDKJPKI-INIZCTEOSA-N 2 1 299.462 3.770 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3Cl)CC1(C)C ZINC000623382087 1117846989 /nfs/dbraw/zinc/84/69/89/1117846989.db2.gz XEQQZYSZGOPFOM-WBMJQRKESA-N 2 1 292.854 3.790 20 0 CHADMP CC[C@@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cc(F)ccc1F ZINC000623428242 1117853579 /nfs/dbraw/zinc/85/35/79/1117853579.db2.gz CZIUFSPFHXVVER-CZUORRHYSA-N 2 1 296.405 3.878 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]C2(c3cccc(Cl)c3)CC2)CC1(C)C ZINC000623428449 1117855181 /nfs/dbraw/zinc/85/51/81/1117855181.db2.gz LBISNOZOONKBLJ-HNNXBMFYSA-N 2 1 292.854 3.792 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C2(c3cccc(Cl)c3)CC2)CC1(C)C ZINC000623428449 1117855185 /nfs/dbraw/zinc/85/51/85/1117855185.db2.gz LBISNOZOONKBLJ-HNNXBMFYSA-N 2 1 292.854 3.792 20 0 CHADMP CCCC[C@H](CCC)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623440089 1117856608 /nfs/dbraw/zinc/85/66/08/1117856608.db2.gz IJLJWPRGZZFMKG-LSDHHAIUSA-N 2 1 254.462 3.808 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)CC1(C)C ZINC000623511348 1117862872 /nfs/dbraw/zinc/86/28/72/1117862872.db2.gz LPPNAIAGNXBPQB-NVXWUHKLSA-N 2 1 290.426 3.666 20 0 CHADMP CSc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623513081 1117864903 /nfs/dbraw/zinc/86/49/03/1117864903.db2.gz HLYZJPMBKVKHNP-DZGCQCFKSA-N 2 1 292.492 3.932 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC2CC(c3ccccc3)C2)CC1(C)C ZINC000623516474 1117865591 /nfs/dbraw/zinc/86/55/91/1117865591.db2.gz TZRNUCYUKOGWLI-VJFUWPCTSA-N 2 1 286.463 3.643 20 0 CHADMP CCSc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623530699 1117868594 /nfs/dbraw/zinc/86/85/94/1117868594.db2.gz JHPFCXVFMPWVIV-OAHLLOKOSA-N 2 1 292.492 3.761 20 0 CHADMP CCSc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623530699 1117868596 /nfs/dbraw/zinc/86/85/96/1117868596.db2.gz JHPFCXVFMPWVIV-OAHLLOKOSA-N 2 1 292.492 3.761 20 0 CHADMP CCSc1cccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623530698 1117868608 /nfs/dbraw/zinc/86/86/08/1117868608.db2.gz JHPFCXVFMPWVIV-HNNXBMFYSA-N 2 1 292.492 3.761 20 0 CHADMP CCSc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623530698 1117868611 /nfs/dbraw/zinc/86/86/11/1117868611.db2.gz JHPFCXVFMPWVIV-HNNXBMFYSA-N 2 1 292.492 3.761 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CC[C@H]2CCc3ccccc32)CC1(C)C ZINC000623534954 1117869074 /nfs/dbraw/zinc/86/90/74/1117869074.db2.gz GLCBLDBLSCPLET-IAGOWNOFSA-N 2 1 286.463 3.569 20 0 CHADMP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623563070 1117873508 /nfs/dbraw/zinc/87/35/08/1117873508.db2.gz MQKOHFFAOIGPTD-YOEHRIQHSA-N 2 1 292.442 3.528 20 0 CHADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc3ccccc3c2)C1 ZINC000623655309 1117883984 /nfs/dbraw/zinc/88/39/84/1117883984.db2.gz UNVQKPOPYJKRLL-QGZVFWFLSA-N 2 1 282.431 3.661 20 0 CHADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc3ccccc3s2)C1 ZINC000623656326 1117884093 /nfs/dbraw/zinc/88/40/93/1117884093.db2.gz SAJTWOIQKHBOEB-CQSZACIVSA-N 2 1 288.460 3.723 20 0 CHADMP CC[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000623657489 1117884307 /nfs/dbraw/zinc/88/43/07/1117884307.db2.gz RPXGQSHOKDHOQI-DLBZAZTESA-N 2 1 274.452 3.502 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccoc1 ZINC000178098009 1117884817 /nfs/dbraw/zinc/88/48/17/1117884817.db2.gz XYIVZDQAKMXNGZ-CABCVRRESA-N 2 1 264.413 3.585 20 0 CHADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000579825291 1117890503 /nfs/dbraw/zinc/89/05/03/1117890503.db2.gz XNGKOJMKSWKUHN-HNNXBMFYSA-N 2 1 299.418 3.524 20 0 CHADMP C[C@@H](NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1ccoc1 ZINC000178225095 1117890491 /nfs/dbraw/zinc/89/04/91/1117890491.db2.gz QUUFACQCGXVKLU-HZPDHXFCSA-N 2 1 286.419 3.841 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000178440267 1117891677 /nfs/dbraw/zinc/89/16/77/1117891677.db2.gz RQKLUYBGSNTXBD-UHFFFAOYSA-N 2 1 293.414 3.867 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc2ccccc2c1 ZINC000178440267 1117891684 /nfs/dbraw/zinc/89/16/84/1117891684.db2.gz RQKLUYBGSNTXBD-UHFFFAOYSA-N 2 1 293.414 3.867 20 0 CHADMP CC[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(Cl)s1 ZINC000178414612 1117891941 /nfs/dbraw/zinc/89/19/41/1117891941.db2.gz NBIVRJDYMUDBHU-GFCCVEGCSA-N 2 1 286.872 3.928 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3ccccc3o2)[C@H](C)C1 ZINC000178539417 1117892449 /nfs/dbraw/zinc/89/24/49/1117892449.db2.gz MUMOSNRRFIJQIK-PBHICJAKSA-N 2 1 286.419 3.595 20 0 CHADMP Cc1csc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)n1 ZINC000623864488 1117945605 /nfs/dbraw/zinc/94/56/05/1117945605.db2.gz PZMVOFZZEMYPLM-GJZGRUSLSA-N 2 1 295.496 3.757 20 0 CHADMP CC(C)C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000037140866 1117969749 /nfs/dbraw/zinc/96/97/49/1117969749.db2.gz FSNUFVIWQIPYCU-IBGZPJMESA-N 2 1 286.463 3.990 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c(C)s1 ZINC000037140812 1117970525 /nfs/dbraw/zinc/97/05/25/1117970525.db2.gz PNOIJTCTVODDMV-LBPRGKRZSA-N 2 1 278.465 3.642 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CC[C@@H]2C2CC2)cc1F ZINC000348089283 1117971542 /nfs/dbraw/zinc/97/15/42/1117971542.db2.gz SWHSTFKFXBVOFI-WBVHZDCISA-N 2 1 299.393 3.598 20 0 CHADMP C[C@@H](NCCC[N@H+]1CCCC[C@H]1C)c1ccc(Cl)cn1 ZINC000274974837 1117978426 /nfs/dbraw/zinc/97/84/26/1117978426.db2.gz YLYDZWWJOZTRHD-ZIAGYGMSSA-N 2 1 295.858 3.650 20 0 CHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCSc3ccccc32)C1 ZINC000624119851 1117983341 /nfs/dbraw/zinc/98/33/41/1117983341.db2.gz KWEXDPSTKDUESQ-ZBFHGGJFSA-N 2 1 290.476 3.545 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C(C)(C)c1ccccc1 ZINC000624122075 1117984819 /nfs/dbraw/zinc/98/48/19/1117984819.db2.gz JFNKEVITKRHERS-DLBZAZTESA-N 2 1 288.479 3.674 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000624122971 1117985808 /nfs/dbraw/zinc/98/58/08/1117985808.db2.gz BZLRAUUJNHHDNX-FPAYPSAMSA-N 2 1 286.463 3.500 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@H]3C=CCCC3)CC23CC3)cc1 ZINC000579472658 1128749276 /nfs/dbraw/zinc/74/92/76/1128749276.db2.gz HYOPWQDAEBMBNH-RBUKOAKNSA-N 2 1 296.458 3.882 20 0 CHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+][C@H]3C=CCCC3)CC23CC3)cc1 ZINC000579472658 1128749277 /nfs/dbraw/zinc/74/92/77/1128749277.db2.gz HYOPWQDAEBMBNH-RBUKOAKNSA-N 2 1 296.458 3.882 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)CCCc2ccccc2Cl)CC[N@@H+]1C ZINC000181946301 1118010019 /nfs/dbraw/zinc/01/00/19/1118010019.db2.gz PNHLEEPAFOLPJC-GOEBONIOSA-N 2 1 294.870 3.687 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)CCCc2ccccc2Cl)CC[N@H+]1C ZINC000181946301 1118010025 /nfs/dbraw/zinc/01/00/25/1118010025.db2.gz PNHLEEPAFOLPJC-GOEBONIOSA-N 2 1 294.870 3.687 20 0 CHADMP C[C@H]1C[C@H]([N@H+](C)CCCc2ccccc2Cl)CC[NH+]1C ZINC000181946301 1118010031 /nfs/dbraw/zinc/01/00/31/1118010031.db2.gz PNHLEEPAFOLPJC-GOEBONIOSA-N 2 1 294.870 3.687 20 0 CHADMP C[C@H]1C[C@H]([N@@H+](C)CCCc2ccccc2Cl)CC[NH+]1C ZINC000181946301 1118010034 /nfs/dbraw/zinc/01/00/34/1118010034.db2.gz PNHLEEPAFOLPJC-GOEBONIOSA-N 2 1 294.870 3.687 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)CCCc2ccccc2Cl)CC[N@@H+]1C ZINC000181946422 1118010934 /nfs/dbraw/zinc/01/09/34/1118010934.db2.gz PNHLEEPAFOLPJC-ZBFHGGJFSA-N 2 1 294.870 3.687 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)CCCc2ccccc2Cl)CC[N@H+]1C ZINC000181946422 1118010938 /nfs/dbraw/zinc/01/09/38/1118010938.db2.gz PNHLEEPAFOLPJC-ZBFHGGJFSA-N 2 1 294.870 3.687 20 0 CHADMP C[C@@H]1C[C@@H]([N@H+](C)CCCc2ccccc2Cl)CC[NH+]1C ZINC000181946422 1118010942 /nfs/dbraw/zinc/01/09/42/1118010942.db2.gz PNHLEEPAFOLPJC-ZBFHGGJFSA-N 2 1 294.870 3.687 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCc2ccccc2Cl)CC[NH+]1C ZINC000181946422 1118010947 /nfs/dbraw/zinc/01/09/47/1118010947.db2.gz PNHLEEPAFOLPJC-ZBFHGGJFSA-N 2 1 294.870 3.687 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](C)Cc2ccccc2)C1 ZINC000182043159 1118011523 /nfs/dbraw/zinc/01/15/23/1118011523.db2.gz MOOVHOFWSOLDME-PKOBYXMFSA-N 2 1 288.479 3.529 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](C)Cc2ccccc2)C1 ZINC000182043159 1118011528 /nfs/dbraw/zinc/01/15/28/1118011528.db2.gz MOOVHOFWSOLDME-PKOBYXMFSA-N 2 1 288.479 3.529 20 0 CHADMP CC(C)(C)[NH+]1CCC([NH2+]C2(c3cccc(F)c3)CC2)CC1 ZINC000182222130 1118016717 /nfs/dbraw/zinc/01/67/17/1118016717.db2.gz VTRZPNLIHHCMFG-UHFFFAOYSA-N 2 1 290.426 3.667 20 0 CHADMP Cc1cc(C)cc([C@H]2CC[N@@H+](CCC[NH+]3CCCC3)C2)c1 ZINC000183472105 1118044881 /nfs/dbraw/zinc/04/48/81/1118044881.db2.gz GCOGXVIRBQINPG-SFHVURJKSA-N 2 1 286.463 3.579 20 0 CHADMP Cc1cc([C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c(C)o1 ZINC000562592688 1118066468 /nfs/dbraw/zinc/06/64/68/1118066468.db2.gz RLXVJPLCYLOVIF-XJKSGUPXSA-N 2 1 280.456 3.913 20 0 CHADMP CC1CCC([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000236687678 1118111317 /nfs/dbraw/zinc/11/13/17/1118111317.db2.gz IOFCZAGVIZVPNY-AQFXKWCLSA-N 2 1 266.473 3.667 20 0 CHADMP CC(C)C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1F ZINC001167240213 1118114261 /nfs/dbraw/zinc/11/42/61/1118114261.db2.gz AMCAISBAIVEZEQ-QGZVFWFLSA-N 2 1 292.442 3.768 20 0 CHADMP CC(C)C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1F ZINC001167240213 1118114262 /nfs/dbraw/zinc/11/42/62/1118114262.db2.gz AMCAISBAIVEZEQ-QGZVFWFLSA-N 2 1 292.442 3.768 20 0 CHADMP CC(C)C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1F ZINC001167240213 1118114264 /nfs/dbraw/zinc/11/42/64/1118114264.db2.gz AMCAISBAIVEZEQ-QGZVFWFLSA-N 2 1 292.442 3.768 20 0 CHADMP CC(C)C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccccc1F ZINC001167240213 1118114268 /nfs/dbraw/zinc/11/42/68/1118114268.db2.gz AMCAISBAIVEZEQ-QGZVFWFLSA-N 2 1 292.442 3.768 20 0 CHADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1sc2ccccc2c1Cl ZINC000124498876 1118154369 /nfs/dbraw/zinc/15/43/69/1118154369.db2.gz KUOYNNXKXXUMAJ-QWRGUYRKSA-N 2 1 294.851 3.866 20 0 CHADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1sc2ccccc2c1Cl ZINC000124498876 1118154370 /nfs/dbraw/zinc/15/43/70/1118154370.db2.gz KUOYNNXKXXUMAJ-QWRGUYRKSA-N 2 1 294.851 3.866 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(C)(C)C)s2)C1 ZINC000149760600 1118159116 /nfs/dbraw/zinc/15/91/16/1118159116.db2.gz UEYDBWRMPHWPFD-AWEZNQCLSA-N 2 1 294.508 3.866 20 0 CHADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000655695246 1118187576 /nfs/dbraw/zinc/18/75/76/1118187576.db2.gz VNSVSJMJNKHYBV-BZSNNMDCSA-N 2 1 284.447 3.507 20 0 CHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C/C=C\c2ccc(F)cc2)C1 ZINC000255056270 1118241922 /nfs/dbraw/zinc/24/19/22/1118241922.db2.gz SDAZFFDPOCSBAA-CHYADLBTSA-N 2 1 290.426 3.503 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C\c2ccc(F)cc2)C1 ZINC000255056270 1118241926 /nfs/dbraw/zinc/24/19/26/1118241926.db2.gz SDAZFFDPOCSBAA-CHYADLBTSA-N 2 1 290.426 3.503 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000255056270 1118241929 /nfs/dbraw/zinc/24/19/29/1118241929.db2.gz SDAZFFDPOCSBAA-CHYADLBTSA-N 2 1 290.426 3.503 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000255056270 1118241933 /nfs/dbraw/zinc/24/19/33/1118241933.db2.gz SDAZFFDPOCSBAA-CHYADLBTSA-N 2 1 290.426 3.503 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCC(=C3CCC3)CC2)C1 ZINC000639170327 1118248660 /nfs/dbraw/zinc/24/86/60/1118248660.db2.gz SZNGMEZDPZLRCU-HNNXBMFYSA-N 2 1 276.468 3.729 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[C@H](C)F)cc1 ZINC000340465871 1118270314 /nfs/dbraw/zinc/27/03/14/1118270314.db2.gz XWHSZXYPVPQHBV-STQMWFEESA-N 2 1 275.371 3.579 20 0 CHADMP Cc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(Cl)c1 ZINC000655940355 1118275919 /nfs/dbraw/zinc/27/59/19/1118275919.db2.gz SCBYXPCDXYXNQR-AWEZNQCLSA-N 2 1 292.854 3.612 20 0 CHADMP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000655940934 1118277188 /nfs/dbraw/zinc/27/71/88/1118277188.db2.gz HUMMJHCVTIBNBS-WMLDXEAASA-N 2 1 292.854 3.612 20 0 CHADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000655940934 1118277193 /nfs/dbraw/zinc/27/71/93/1118277193.db2.gz HUMMJHCVTIBNBS-WMLDXEAASA-N 2 1 292.854 3.612 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001167332393 1118317946 /nfs/dbraw/zinc/31/79/46/1118317946.db2.gz KKSXUJFUKPWSKV-IBGZPJMESA-N 2 1 288.479 3.673 20 0 CHADMP Cc1c(F)cccc1C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001204513165 1118329817 /nfs/dbraw/zinc/32/98/17/1118329817.db2.gz UBPRRBIUVNFNGT-UHFFFAOYSA-N 2 1 292.442 3.686 20 0 CHADMP C[C@H]([NH2+]Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000306747603 1118341052 /nfs/dbraw/zinc/34/10/52/1118341052.db2.gz FPYBZZMJEUEXHH-FXAWDEMLSA-N 2 1 294.442 3.687 20 0 CHADMP CCOc1cccc([C@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000539279162 1118350628 /nfs/dbraw/zinc/35/06/28/1118350628.db2.gz ABQLUKARYNSKLD-RDJZCZTQSA-N 2 1 290.451 3.610 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000683788586 1118370776 /nfs/dbraw/zinc/37/07/76/1118370776.db2.gz MEXWZKNAPQWCPV-GOSISDBHSA-N 2 1 297.446 3.845 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000683788586 1118370780 /nfs/dbraw/zinc/37/07/80/1118370780.db2.gz MEXWZKNAPQWCPV-GOSISDBHSA-N 2 1 297.446 3.845 20 0 CHADMP CC[N@H+](CC[NH2+][C@@H]1CCC[C@@H](C(C)C)C1)C(C)C ZINC001655491951 1118405202 /nfs/dbraw/zinc/40/52/02/1118405202.db2.gz LNDZXODZMQIEEA-HZPDHXFCSA-N 2 1 254.462 3.521 20 0 CHADMP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@@H](C(C)C)C1)C(C)C ZINC001655491951 1118405203 /nfs/dbraw/zinc/40/52/03/1118405203.db2.gz LNDZXODZMQIEEA-HZPDHXFCSA-N 2 1 254.462 3.521 20 0 CHADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000765783196 1118405373 /nfs/dbraw/zinc/40/53/73/1118405373.db2.gz KOTJZJFGDBDXTD-APWZRJJASA-N 2 1 286.463 3.692 20 0 CHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccnc(Cl)c2)C1 ZINC000765785587 1118405455 /nfs/dbraw/zinc/40/54/55/1118405455.db2.gz XIOFKGROGYHFLF-ZIAGYGMSSA-N 2 1 295.858 3.506 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccnc(Cl)c2)C1 ZINC000765785587 1118405458 /nfs/dbraw/zinc/40/54/58/1118405458.db2.gz XIOFKGROGYHFLF-ZIAGYGMSSA-N 2 1 295.858 3.506 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)c(F)c1 ZINC000580289064 1118413820 /nfs/dbraw/zinc/41/38/20/1118413820.db2.gz UZPVQBPVQCPMFJ-OLZOCXBDSA-N 2 1 298.833 3.862 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683927558 1118447328 /nfs/dbraw/zinc/44/73/28/1118447328.db2.gz LHWWOCJRNQXPLI-INIZCTEOSA-N 2 1 299.462 3.912 20 0 CHADMP C[NH+](C)[C@H]1C[C@@H](CNc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000656211334 1118448534 /nfs/dbraw/zinc/44/85/34/1118448534.db2.gz WFJPAQVCKQDOKR-BJHJDKERSA-N 2 1 289.810 3.640 20 0 CHADMP CC/C=C\CC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000352368790 1118472602 /nfs/dbraw/zinc/47/26/02/1118472602.db2.gz LMMVYYJQNWDZGF-PLNGDYQASA-N 2 1 274.408 3.590 20 0 CHADMP C[C@@H](C1CC1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000782190894 1118476679 /nfs/dbraw/zinc/47/66/79/1118476679.db2.gz WCWZCDXEKHOOGG-CVEARBPZSA-N 2 1 278.484 3.761 20 0 CHADMP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398202373 1118499213 /nfs/dbraw/zinc/49/92/13/1118499213.db2.gz NFKAOFXGSFPYKG-MDZRGWNJSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398202373 1118499215 /nfs/dbraw/zinc/49/92/15/1118499215.db2.gz NFKAOFXGSFPYKG-MDZRGWNJSA-N 2 1 286.463 3.675 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000580901981 1118519245 /nfs/dbraw/zinc/51/92/45/1118519245.db2.gz FDAGMIRSSCPYKP-KRWDZBQOSA-N 2 1 299.462 3.626 20 0 CHADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000389354875 1118521255 /nfs/dbraw/zinc/52/12/55/1118521255.db2.gz TZYRBSXRNQDPBR-RYQLBKOJSA-N 2 1 272.436 3.520 20 0 CHADMP C[C@](C[NH3+])([NH2+]CCCSc1ccccc1Cl)C1CC1 ZINC000430596688 1118586483 /nfs/dbraw/zinc/58/64/83/1118586483.db2.gz JZTQGDUNKCMSRQ-OAHLLOKOSA-N 2 1 298.883 3.539 20 0 CHADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(C2CCCC2)c1 ZINC000656784538 1118656960 /nfs/dbraw/zinc/65/69/60/1118656960.db2.gz BVTCHJFPAHJASF-KDOFPFPSSA-N 2 1 272.436 3.656 20 0 CHADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(C3CCCC3)c2)C1 ZINC000656785710 1118657591 /nfs/dbraw/zinc/65/75/91/1118657591.db2.gz IOCHQTHHOSLIRT-KDOFPFPSSA-N 2 1 272.436 3.513 20 0 CHADMP C[C@@H]1CCC[C@](C[NH2+]C2CCC(F)(F)CC2)([NH+](C)C)C1 ZINC000647175124 1118681168 /nfs/dbraw/zinc/68/11/68/1118681168.db2.gz YYRRPAKOSSAHLE-HIFRSBDPSA-N 2 1 288.426 3.664 20 0 CHADMP Cn1c[nH+]cc1CC[NH2+][C@@H](CC1CCCC1)c1ccccc1 ZINC000471772700 1118722440 /nfs/dbraw/zinc/72/24/40/1118722440.db2.gz PSEDRGZLBQTLOV-IBGZPJMESA-N 2 1 297.446 3.874 20 0 CHADMP Cc1ncc([C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)s1 ZINC000090418571 1118733709 /nfs/dbraw/zinc/73/37/09/1118733709.db2.gz MIAVEWURDCBOCN-CYBMUJFWSA-N 2 1 283.485 3.611 20 0 CHADMP Cc1ncc([C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)s1 ZINC000090418572 1118734138 /nfs/dbraw/zinc/73/41/38/1118734138.db2.gz MIAVEWURDCBOCN-ZDUSSCGKSA-N 2 1 283.485 3.611 20 0 CHADMP C[C@@H](CC1CCCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000689778026 1118753262 /nfs/dbraw/zinc/75/32/62/1118753262.db2.gz PBLISBKPFDOIOG-LNRIEFBSSA-N 2 1 264.457 3.560 20 0 CHADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1sc2ccccc2c1Cl ZINC000131634054 1118761753 /nfs/dbraw/zinc/76/17/53/1118761753.db2.gz ZPEPQFKXSXQAOA-WDEREUQCSA-N 2 1 294.851 3.724 20 0 CHADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1sc2ccccc2c1Cl ZINC000131634440 1118762171 /nfs/dbraw/zinc/76/21/71/1118762171.db2.gz ZPEPQFKXSXQAOA-QWRGUYRKSA-N 2 1 294.851 3.724 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000510675960 1118786254 /nfs/dbraw/zinc/78/62/54/1118786254.db2.gz RIQMOOUYJYUFHF-KBAYOESNSA-N 2 1 278.484 3.667 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000510676213 1118786522 /nfs/dbraw/zinc/78/65/22/1118786522.db2.gz UAWSNKHMUBZTOK-NXHRZFHOSA-N 2 1 278.484 3.809 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CC(C)C)c1ccccc1C ZINC000341685471 1118797934 /nfs/dbraw/zinc/79/79/34/1118797934.db2.gz RWUHJUNUPJJQQP-SFHVURJKSA-N 2 1 285.435 3.877 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2CCCF)C1 ZINC000510756011 1118807336 /nfs/dbraw/zinc/80/73/36/1118807336.db2.gz YHEINOBJKPMJBH-IXDOHACOSA-N 2 1 284.463 3.615 20 0 CHADMP C(C[NH2+]C1CCCCC1)C[N@H+]1CCC12CCCCC2 ZINC000707634031 1118836650 /nfs/dbraw/zinc/83/66/50/1118836650.db2.gz QXYOEJAMMPASDH-UHFFFAOYSA-N 2 1 264.457 3.707 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CCc1ccccc1)C(C)C ZINC000510962754 1118871906 /nfs/dbraw/zinc/87/19/06/1118871906.db2.gz SLHNMTITNJBYFW-IBGZPJMESA-N 2 1 299.462 3.829 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000535763851 1118881856 /nfs/dbraw/zinc/88/18/56/1118881856.db2.gz QFBOLHZEJUKXCD-IBGZPJMESA-N 2 1 297.446 3.981 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000535763851 1118881864 /nfs/dbraw/zinc/88/18/64/1118881864.db2.gz QFBOLHZEJUKXCD-IBGZPJMESA-N 2 1 297.446 3.981 20 0 CHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CC1(C)CCC1 ZINC000348959921 1118904439 /nfs/dbraw/zinc/90/44/39/1118904439.db2.gz BGVROVJHCAIVFU-UHFFFAOYSA-N 2 1 274.452 3.760 20 0 CHADMP CC(C)CCC[C@@H](C)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC000228872024 1118912854 /nfs/dbraw/zinc/91/28/54/1118912854.db2.gz PYEUQVDUPVUUEV-CQSZACIVSA-N 2 1 263.429 3.737 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc3c(ccc(C)c3C)[nH]2)C1 ZINC000472056626 1118953363 /nfs/dbraw/zinc/95/33/63/1118953363.db2.gz XONYWMGWNFNDIV-MRXNPFEDSA-N 2 1 299.462 3.606 20 0 CHADMP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3ccco3)c2)CC1 ZINC000105459694 1118982730 /nfs/dbraw/zinc/98/27/30/1118982730.db2.gz IJXRPZQDPUIPIS-UHFFFAOYSA-N 2 1 298.430 3.801 20 0 CHADMP Cc1cccc2[nH]c(C[NH2+]C[C@@H]3CCC[N@H+](C(C)C)C3)cc21 ZINC000657348450 1119020228 /nfs/dbraw/zinc/02/02/28/1119020228.db2.gz WOXYIUDXKVSSGL-INIZCTEOSA-N 2 1 299.462 3.686 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000628149831 1128817439 /nfs/dbraw/zinc/81/74/39/1128817439.db2.gz PBFUSECYBSEHRZ-UHFFFAOYSA-N 2 1 299.462 3.720 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1csc2ccccc12 ZINC000342552751 1119080456 /nfs/dbraw/zinc/08/04/56/1119080456.db2.gz QGQDVWLWXWSHCJ-UHFFFAOYSA-N 2 1 285.416 3.538 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](C)Cc1csc2ccccc12 ZINC000342552751 1119080460 /nfs/dbraw/zinc/08/04/60/1119080460.db2.gz QGQDVWLWXWSHCJ-UHFFFAOYSA-N 2 1 285.416 3.538 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC2C[C@@H](C)C[C@H](C)C2)C1 ZINC001167575542 1119086250 /nfs/dbraw/zinc/08/62/50/1119086250.db2.gz CSHYGTYEQXZZPG-BQFCYCMXSA-N 2 1 280.500 3.722 20 0 CHADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000049554239 1119103910 /nfs/dbraw/zinc/10/39/10/1119103910.db2.gz XDRJGSKNDNLASX-BXUZGUMPSA-N 2 1 298.883 3.807 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1CC(F)(F)C1 ZINC000628202986 1128827328 /nfs/dbraw/zinc/82/73/28/1128827328.db2.gz OYIZLIZGJCLMEM-ZIAGYGMSSA-N 2 1 288.426 3.664 20 0 CHADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000657614528 1119209208 /nfs/dbraw/zinc/20/92/08/1119209208.db2.gz DQOJPGLBBWUUCZ-MPGHIAIKSA-N 2 1 290.426 3.739 20 0 CHADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000657614528 1119209211 /nfs/dbraw/zinc/20/92/11/1119209211.db2.gz DQOJPGLBBWUUCZ-MPGHIAIKSA-N 2 1 290.426 3.739 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1C)C1CC1 ZINC000342860997 1119214315 /nfs/dbraw/zinc/21/43/15/1119214315.db2.gz UGFGVNLXLXUCTB-UHFFFAOYSA-N 2 1 283.419 3.555 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1C)C1CC1 ZINC000342860997 1119214319 /nfs/dbraw/zinc/21/43/19/1119214319.db2.gz UGFGVNLXLXUCTB-UHFFFAOYSA-N 2 1 283.419 3.555 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[NH2+]CCCCn1cc[nH+]c1C ZINC000628218404 1128829988 /nfs/dbraw/zinc/82/99/88/1128829988.db2.gz DWVQRMWLDUSTJV-IAGOWNOFSA-N 2 1 277.456 3.778 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCc3c(Cl)cccc32)CC1 ZINC000349786944 1119226299 /nfs/dbraw/zinc/22/62/99/1119226299.db2.gz ZEHWAWORHSQDKK-KRWDZBQOSA-N 2 1 290.838 3.569 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000657681106 1119242887 /nfs/dbraw/zinc/24/28/87/1119242887.db2.gz MOINGAWBPAABBB-OALUTQOASA-N 2 1 298.474 3.962 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000657681106 1119242889 /nfs/dbraw/zinc/24/28/89/1119242889.db2.gz MOINGAWBPAABBB-OALUTQOASA-N 2 1 298.474 3.962 20 0 CHADMP Cc1ccc([C@H](C)C[N@H+]2CCCC23CC[NH+](C)CC3)cc1 ZINC000628244269 1128834942 /nfs/dbraw/zinc/83/49/42/1128834942.db2.gz ZOVLYDMZKGCITR-QGZVFWFLSA-N 2 1 286.463 3.659 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@]1(C)CCCS1 ZINC000628202676 1119288478 /nfs/dbraw/zinc/28/84/78/1119288478.db2.gz CYWBIKRMIQFYGE-CVEARBPZSA-N 2 1 284.513 3.516 20 0 CHADMP CC(C)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000154852175 1119321588 /nfs/dbraw/zinc/32/15/88/1119321588.db2.gz ADYRDEAQYVTWDZ-OAHLLOKOSA-N 2 1 262.441 3.661 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000583294975 1119337323 /nfs/dbraw/zinc/33/73/23/1119337323.db2.gz JAUAIWDOENWBFN-NZSAHSFTSA-N 2 1 286.463 3.534 20 0 CHADMP C[C@H](C[N@H+]1CCC[C@H]([NH+](C)C)CC1)C1CCCCC1 ZINC000569628313 1119346915 /nfs/dbraw/zinc/34/69/15/1119346915.db2.gz ALWNAOSLOBRJAD-WBVHZDCISA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2CC3(CCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000448063994 1119369453 /nfs/dbraw/zinc/36/94/53/1119369453.db2.gz MNHHLECLMRSKOA-AEFFLSMTSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2CC3(CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000448063994 1119369455 /nfs/dbraw/zinc/36/94/55/1119369455.db2.gz MNHHLECLMRSKOA-AEFFLSMTSA-N 2 1 298.474 3.962 20 0 CHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc3ccccc3o2)C1 ZINC000151138705 1119409695 /nfs/dbraw/zinc/40/96/95/1119409695.db2.gz NIIXPEJQUXOAKF-LSDHHAIUSA-N 2 1 286.419 3.815 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc3ccccc3o2)C1 ZINC000151138705 1119409697 /nfs/dbraw/zinc/40/96/97/1119409697.db2.gz NIIXPEJQUXOAKF-LSDHHAIUSA-N 2 1 286.419 3.815 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)C1(c2ccccc2)CCCC1 ZINC000343509324 1119437909 /nfs/dbraw/zinc/43/79/09/1119437909.db2.gz KDECELFDNJVFOB-MRXNPFEDSA-N 2 1 297.446 3.682 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000583958340 1119441000 /nfs/dbraw/zinc/44/10/00/1119441000.db2.gz KLMAKEAVOFZCNX-OKILXGFUSA-N 2 1 294.405 3.771 20 0 CHADMP C[N@@H+](Cc1ccc(C(C)(C)C)cc1)C1CCC([NH3+])CC1 ZINC000091843839 1119482594 /nfs/dbraw/zinc/48/25/94/1119482594.db2.gz JTWNQYDXMHUFKT-UHFFFAOYSA-N 2 1 274.452 3.686 20 0 CHADMP C[C@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1)C(C)(C)C(F)F ZINC000657846223 1119507309 /nfs/dbraw/zinc/50/73/09/1119507309.db2.gz SRGUPNNXUILYAD-STQMWFEESA-N 2 1 290.442 3.766 20 0 CHADMP C[C@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1)C(C)(C)C(F)F ZINC000657846223 1119507310 /nfs/dbraw/zinc/50/73/10/1119507310.db2.gz SRGUPNNXUILYAD-STQMWFEESA-N 2 1 290.442 3.766 20 0 CHADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081632312 1119520074 /nfs/dbraw/zinc/52/00/74/1119520074.db2.gz LXFYLSXUFZWCFY-MJGOQNOKSA-N 2 1 286.463 3.801 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@]1(C)CCCS1 ZINC000628202677 1119525763 /nfs/dbraw/zinc/52/57/63/1119525763.db2.gz CYWBIKRMIQFYGE-HOTGVXAUSA-N 2 1 284.513 3.516 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCCC1 ZINC000250902663 1119553086 /nfs/dbraw/zinc/55/30/86/1119553086.db2.gz OUMMPHCMRKBIQX-PVAVHDDUSA-N 2 1 264.457 3.562 20 0 CHADMP CC(C)[C@H]([NH2+]CCC[NH+](C(C)C)C(C)C)c1cccnc1 ZINC000091350236 1119555390 /nfs/dbraw/zinc/55/53/90/1119555390.db2.gz WXPJFDCBKRZKTO-SFHVURJKSA-N 2 1 291.483 3.877 20 0 CHADMP CCCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000685469219 1119612589 /nfs/dbraw/zinc/61/25/89/1119612589.db2.gz VVGQWWBALHGLOC-ZACQAIPSSA-N 2 1 264.457 3.562 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2ccc(C)cc2)[C@H](C)C1 ZINC000544071465 1119621741 /nfs/dbraw/zinc/62/17/41/1119621741.db2.gz ZOKGMPNFCBPRAW-MJGOQNOKSA-N 2 1 288.479 3.590 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2ccc(C)cc2)[C@H](C)C1 ZINC000544071465 1119621744 /nfs/dbraw/zinc/62/17/44/1119621744.db2.gz ZOKGMPNFCBPRAW-MJGOQNOKSA-N 2 1 288.479 3.590 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)C2CCC3(CCCC3)CC2)CC1 ZINC000129801664 1119632052 /nfs/dbraw/zinc/63/20/52/1119632052.db2.gz ULEJLZJHUZCTGL-UHFFFAOYSA-N 2 1 278.484 3.952 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)C1 ZINC000657928492 1119644267 /nfs/dbraw/zinc/64/42/67/1119644267.db2.gz CQDCMYAZHRJCKA-UONOGXRCSA-N 2 1 290.442 3.624 20 0 CHADMP CC1(C)CC[C@H]1[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309692638 1119648979 /nfs/dbraw/zinc/64/89/79/1119648979.db2.gz DFTGHQDHFSMDRK-MJGOQNOKSA-N 2 1 286.463 3.677 20 0 CHADMP CC1(C)CC[C@@H]1[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309692633 1119649334 /nfs/dbraw/zinc/64/93/34/1119649334.db2.gz DFTGHQDHFSMDRK-HKUYNNGSSA-N 2 1 286.463 3.677 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](CC)Cc1cccs1 ZINC000685666151 1119650260 /nfs/dbraw/zinc/65/02/60/1119650260.db2.gz FYKYUCGVYVQOFW-LSDHHAIUSA-N 2 1 282.497 3.779 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](CC)Cc1cccs1 ZINC000685666151 1119650263 /nfs/dbraw/zinc/65/02/63/1119650263.db2.gz FYKYUCGVYVQOFW-LSDHHAIUSA-N 2 1 282.497 3.779 20 0 CHADMP CC[C@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(OC)cc1 ZINC000658094069 1119681538 /nfs/dbraw/zinc/68/15/38/1119681538.db2.gz XFSLYMTYDNHKMD-RDJZCZTQSA-N 2 1 290.451 3.609 20 0 CHADMP CC[C@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(OC)cc1 ZINC000658094069 1119681539 /nfs/dbraw/zinc/68/15/39/1119681539.db2.gz XFSLYMTYDNHKMD-RDJZCZTQSA-N 2 1 290.451 3.609 20 0 CHADMP CC[C@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(OC)cc1 ZINC000658094071 1119681985 /nfs/dbraw/zinc/68/19/85/1119681985.db2.gz XFSLYMTYDNHKMD-WBVHZDCISA-N 2 1 290.451 3.609 20 0 CHADMP CC[C@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(OC)cc1 ZINC000658094071 1119681987 /nfs/dbraw/zinc/68/19/87/1119681987.db2.gz XFSLYMTYDNHKMD-WBVHZDCISA-N 2 1 290.451 3.609 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)C1CCSCC1 ZINC000658227956 1119706374 /nfs/dbraw/zinc/70/63/74/1119706374.db2.gz FCNXLFAUIPKWOY-ZBFHGGJFSA-N 2 1 296.524 3.515 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)C1CCSCC1 ZINC000658227956 1119706378 /nfs/dbraw/zinc/70/63/78/1119706378.db2.gz FCNXLFAUIPKWOY-ZBFHGGJFSA-N 2 1 296.524 3.515 20 0 CHADMP C[C@H](CCC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658228162 1119706834 /nfs/dbraw/zinc/70/68/34/1119706834.db2.gz GWBROEXVWBQEPI-OLZOCXBDSA-N 2 1 292.389 3.714 20 0 CHADMP C[C@H](CCC(F)(F)F)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658228162 1119706837 /nfs/dbraw/zinc/70/68/37/1119706837.db2.gz GWBROEXVWBQEPI-OLZOCXBDSA-N 2 1 292.389 3.714 20 0 CHADMP CC1(C)C[C@@]1(C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658305760 1119716750 /nfs/dbraw/zinc/71/67/50/1119716750.db2.gz UMEUBDLYLHANPB-FTEYMNFISA-N 2 1 298.474 3.960 20 0 CHADMP CC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658320535 1119723818 /nfs/dbraw/zinc/72/38/18/1119723818.db2.gz ZGDUFKTUGPVJBG-SJLPKXTDSA-N 2 1 286.463 3.677 20 0 CHADMP CC[C@@H](NCCC[N@@H+](C)C(C)C)c1ccsc1 ZINC000294477275 1119734877 /nfs/dbraw/zinc/73/48/77/1119734877.db2.gz WPXMTIFRKSCRJV-CQSZACIVSA-N 2 1 254.443 3.519 20 0 CHADMP CC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccsc1 ZINC000294477275 1119734879 /nfs/dbraw/zinc/73/48/79/1119734879.db2.gz WPXMTIFRKSCRJV-CQSZACIVSA-N 2 1 254.443 3.519 20 0 CHADMP CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccsc1 ZINC000294477275 1119734883 /nfs/dbraw/zinc/73/48/83/1119734883.db2.gz WPXMTIFRKSCRJV-CQSZACIVSA-N 2 1 254.443 3.519 20 0 CHADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223573251 1119748493 /nfs/dbraw/zinc/74/84/93/1119748493.db2.gz LXLNUSWAXWSECQ-JJTUDDRGSA-N 2 1 266.473 3.520 20 0 CHADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223573251 1119748496 /nfs/dbraw/zinc/74/84/96/1119748496.db2.gz LXLNUSWAXWSECQ-JJTUDDRGSA-N 2 1 266.473 3.520 20 0 CHADMP Cc1ccc([C@@H](C)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000628252093 1119761962 /nfs/dbraw/zinc/76/19/62/1119761962.db2.gz HZWZWWGIEXCHBI-FUHWJXTLSA-N 2 1 274.452 3.515 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000300270416 1119765431 /nfs/dbraw/zinc/76/54/31/1119765431.db2.gz GITDSRGOXANOSE-DOTOQJQBSA-N 2 1 292.854 3.612 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000300270416 1119765434 /nfs/dbraw/zinc/76/54/34/1119765434.db2.gz GITDSRGOXANOSE-DOTOQJQBSA-N 2 1 292.854 3.612 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC000152600939 1119791421 /nfs/dbraw/zinc/79/14/21/1119791421.db2.gz ILTPPROFKKSAMV-DOTOQJQBSA-N 2 1 275.440 3.554 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOC2CCCCCC2)C[C@@H]1C ZINC000531140147 1119796455 /nfs/dbraw/zinc/79/64/55/1119796455.db2.gz AVDJADTUWGOCFR-DLBZAZTESA-N 2 1 296.499 3.530 20 0 CHADMP CC1(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000309812190 1119837134 /nfs/dbraw/zinc/83/71/34/1119837134.db2.gz WUGPOQNYQSDHFE-GOSISDBHSA-N 2 1 286.463 3.678 20 0 CHADMP CC[C@H](C)C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309870954 1119839118 /nfs/dbraw/zinc/83/91/18/1119839118.db2.gz GRRGYIIUMKTDAN-FUHWJXTLSA-N 2 1 274.452 3.534 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@H]2C[C@H]2C)c1 ZINC000414061719 1119875608 /nfs/dbraw/zinc/87/56/08/1119875608.db2.gz AVNLBMYIKWTCSF-RKVPGOIHSA-N 2 1 274.452 3.661 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@H]2C)CC1 ZINC000414074310 1119883883 /nfs/dbraw/zinc/88/38/83/1119883883.db2.gz OAILGAQGAJZHOF-GPMSIDNRSA-N 2 1 286.463 3.594 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)CCc2ccc(CC)cc2)CC1 ZINC000531143073 1119888768 /nfs/dbraw/zinc/88/87/68/1119888768.db2.gz FNRSUZJMDPYRRS-UHFFFAOYSA-N 2 1 288.479 3.598 20 0 CHADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@H]1C[C@H]1C ZINC000414102898 1119899870 /nfs/dbraw/zinc/89/98/70/1119899870.db2.gz DEVQZGYMPSXXEN-WGMGUUHVSA-N 2 1 278.484 3.664 20 0 CHADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1C[C@H]1C ZINC000414102896 1119899916 /nfs/dbraw/zinc/89/99/16/1119899916.db2.gz DEVQZGYMPSXXEN-RKYPPNDESA-N 2 1 278.484 3.664 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2C[C@H]2C)cc1 ZINC000414108254 1119901364 /nfs/dbraw/zinc/90/13/64/1119901364.db2.gz JYCGUMQNDVDXNK-KYZVSKTDSA-N 2 1 283.419 3.876 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000414172569 1119926354 /nfs/dbraw/zinc/92/63/54/1119926354.db2.gz FLYQXZDGXUTXOX-SJORKVTESA-N 2 1 274.452 3.686 20 0 CHADMP C[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000668819033 1119926442 /nfs/dbraw/zinc/92/64/42/1119926442.db2.gz MQPUPVWYRNHLQL-WMZOPIPTSA-N 2 1 286.463 3.502 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C(C)(C)c1ccccc1 ZINC000414177084 1119928222 /nfs/dbraw/zinc/92/82/22/1119928222.db2.gz JMFMJZFWOXJBAY-SJORKVTESA-N 2 1 288.479 3.674 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000414179660 1119928421 /nfs/dbraw/zinc/92/84/21/1119928421.db2.gz LLDVZNZBTBJIQU-RDJZCZTQSA-N 2 1 274.452 3.632 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+]C3(C4CCC4)CCC3)CC2)cc1 ZINC000414187638 1119931984 /nfs/dbraw/zinc/93/19/84/1119931984.db2.gz QFOKQBSWPKSQOH-UHFFFAOYSA-N 2 1 298.474 3.963 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1C ZINC000414186895 1119932216 /nfs/dbraw/zinc/93/22/16/1119932216.db2.gz PQJRBPJIWIWSPW-IAGOWNOFSA-N 2 1 274.452 3.686 20 0 CHADMP CC1(C)C[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000414223109 1119945823 /nfs/dbraw/zinc/94/58/23/1119945823.db2.gz PFSZPGCFOWPWAN-FJIDUMEYSA-N 2 1 284.447 3.570 20 0 CHADMP CC1(C)CCC(C)(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000414258896 1119958702 /nfs/dbraw/zinc/95/87/02/1119958702.db2.gz XSOOMNZBXICQQB-HOTGVXAUSA-N 2 1 278.484 3.809 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1C(C)(C)C ZINC000414304068 1119973350 /nfs/dbraw/zinc/97/33/50/1119973350.db2.gz OMLLYCAAQDGODI-LJIZCISZSA-N 2 1 266.473 3.520 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000574981062 1119973777 /nfs/dbraw/zinc/97/37/77/1119973777.db2.gz UHEINDWMKHTJND-ZYHUDNBSSA-N 2 1 272.795 3.503 20 0 CHADMP CC(C)[NH+](CC[NH2+][C@@H]1CCC[C@H](C)CC1)C(C)C ZINC000086878146 1120035045 /nfs/dbraw/zinc/03/50/45/1120035045.db2.gz RBWCEZRPQBSTLW-JKSUJKDBSA-N 2 1 254.462 3.664 20 0 CHADMP C[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000187363894 1120019208 /nfs/dbraw/zinc/01/92/08/1120019208.db2.gz AKZHTOMUPPLXEV-CPUCHLNUSA-N 2 1 294.870 3.858 20 0 CHADMP C[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000187363894 1120019212 /nfs/dbraw/zinc/01/92/12/1120019212.db2.gz AKZHTOMUPPLXEV-CPUCHLNUSA-N 2 1 294.870 3.858 20 0 CHADMP C[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000187363894 1120019216 /nfs/dbraw/zinc/01/92/16/1120019216.db2.gz AKZHTOMUPPLXEV-CPUCHLNUSA-N 2 1 294.870 3.858 20 0 CHADMP C[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000187363894 1120019221 /nfs/dbraw/zinc/01/92/21/1120019221.db2.gz AKZHTOMUPPLXEV-CPUCHLNUSA-N 2 1 294.870 3.858 20 0 CHADMP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@H](C)CC1)[NH+](C)C ZINC000086880539 1120036203 /nfs/dbraw/zinc/03/62/03/1120036203.db2.gz LSALHSQWQZNZGK-UAGQMJEPSA-N 2 1 268.489 3.911 20 0 CHADMP C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1cccnc1 ZINC000177465404 1120037678 /nfs/dbraw/zinc/03/76/78/1120037678.db2.gz LFOCYZQUDRQVQA-DLBZAZTESA-N 2 1 297.446 3.643 20 0 CHADMP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1cccnc1 ZINC000177465404 1120037682 /nfs/dbraw/zinc/03/76/82/1120037682.db2.gz LFOCYZQUDRQVQA-DLBZAZTESA-N 2 1 297.446 3.643 20 0 CHADMP CC[C@H](Cc1ccc(C)cc1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121141 1120076217 /nfs/dbraw/zinc/07/62/17/1120076217.db2.gz OVKADCYYKVNVOZ-RTBURBONSA-N 2 1 288.479 3.638 20 0 CHADMP Cc1ccc([C@@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)C2CC2)cc1 ZINC000624122150 1120102849 /nfs/dbraw/zinc/10/28/49/1120102849.db2.gz KWKJJEQSBZTPDF-QFBILLFUSA-N 2 1 286.463 3.768 20 0 CHADMP CC(C)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157019070 1120114014 /nfs/dbraw/zinc/11/40/14/1120114014.db2.gz RTAIHRXBOCGAQV-SJLPKXTDSA-N 2 1 274.452 3.627 20 0 CHADMP CC(C)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157019070 1120114018 /nfs/dbraw/zinc/11/40/18/1120114018.db2.gz RTAIHRXBOCGAQV-SJLPKXTDSA-N 2 1 274.452 3.627 20 0 CHADMP CC(C)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157019070 1120114022 /nfs/dbraw/zinc/11/40/22/1120114022.db2.gz RTAIHRXBOCGAQV-SJLPKXTDSA-N 2 1 274.452 3.627 20 0 CHADMP CC(C)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157019070 1120114025 /nfs/dbraw/zinc/11/40/25/1120114025.db2.gz RTAIHRXBOCGAQV-SJLPKXTDSA-N 2 1 274.452 3.627 20 0 CHADMP CC[C@@H]1CCC[NH+](C/C=C/C[N@@H+]2CCC[C@@H](CC)C2)C1 ZINC000613628969 1120133026 /nfs/dbraw/zinc/13/30/26/1120133026.db2.gz IKMANBMAKNIUQK-PJHKVULZSA-N 2 1 278.484 3.787 20 0 CHADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000468555670 1120135592 /nfs/dbraw/zinc/13/55/92/1120135592.db2.gz SJBXFUQMHATHOP-BVBHFADKSA-N 2 1 286.463 3.703 20 0 CHADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000468555670 1120135593 /nfs/dbraw/zinc/13/55/93/1120135593.db2.gz SJBXFUQMHATHOP-BVBHFADKSA-N 2 1 286.463 3.703 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1[C@@H]2CCCC[C@@H]2C1(C)C ZINC000122474746 1120174389 /nfs/dbraw/zinc/17/43/89/1120174389.db2.gz ADMRVBAWMSWKHS-IKGGRYGDSA-N 2 1 289.467 3.776 20 0 CHADMP CC(C)[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(F)c(F)c1 ZINC000542847154 1120178867 /nfs/dbraw/zinc/17/88/67/1120178867.db2.gz BDCXYEWQGOGGFY-KRWDZBQOSA-N 2 1 294.389 3.513 20 0 CHADMP C[C@H](Cc1cccc(F)c1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000252711288 1128896813 /nfs/dbraw/zinc/89/68/13/1128896813.db2.gz JDTUUQPCXMYRMN-HZPDHXFCSA-N 2 1 292.442 3.611 20 0 CHADMP C[C@H](C[NH2+]C1c2ccccc2-c2ccccc21)C[NH+](C)C ZINC000314445343 1120207093 /nfs/dbraw/zinc/20/70/93/1120207093.db2.gz XRDJFEZKEMKVNZ-CQSZACIVSA-N 2 1 280.415 3.544 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CC3CCC2CC3)C1 ZINC000394428745 1120218566 /nfs/dbraw/zinc/21/85/66/1120218566.db2.gz AUOIFVURPWVKFV-PUYXYEEKSA-N 2 1 278.484 3.521 20 0 CHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000216005177 1120242244 /nfs/dbraw/zinc/24/22/44/1120242244.db2.gz BZPFLHSIXPHXQS-UONOGXRCSA-N 2 1 296.405 3.880 20 0 CHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000216005177 1120242248 /nfs/dbraw/zinc/24/22/48/1120242248.db2.gz BZPFLHSIXPHXQS-UONOGXRCSA-N 2 1 296.405 3.880 20 0 CHADMP CC[C@@H](C)C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309883665 1120282788 /nfs/dbraw/zinc/28/27/88/1120282788.db2.gz KMOKEDDJOVJZQE-AEFFLSMTSA-N 2 1 274.452 3.534 20 0 CHADMP CCC[N@H+](Cc1ccc(Cl)c(CC)c1)C[C@@H]1CC[NH2+]C1 ZINC001236842578 1128905340 /nfs/dbraw/zinc/90/53/40/1128905340.db2.gz FPSDOLPCYKVDQU-OAHLLOKOSA-N 2 1 294.870 3.724 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@H]2CCc3ccccc32)CCN1C ZINC000659983250 1120321654 /nfs/dbraw/zinc/32/16/54/1120321654.db2.gz HVNZHPDTTAITJM-NXHRZFHOSA-N 2 1 286.463 3.521 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@H]2CCc3ccccc32)CC[N@@H+]1C ZINC000659983250 1120321658 /nfs/dbraw/zinc/32/16/58/1120321658.db2.gz HVNZHPDTTAITJM-NXHRZFHOSA-N 2 1 286.463 3.521 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@H]2CCc3ccccc32)CC[N@H+]1C ZINC000659983250 1120321663 /nfs/dbraw/zinc/32/16/63/1120321663.db2.gz HVNZHPDTTAITJM-NXHRZFHOSA-N 2 1 286.463 3.521 20 0 CHADMP C[C@@H]1C[C@@H]([N@H+](C)CC[C@H]2CCc3ccccc32)CC[NH+]1C ZINC000659983250 1120321668 /nfs/dbraw/zinc/32/16/68/1120321668.db2.gz HVNZHPDTTAITJM-NXHRZFHOSA-N 2 1 286.463 3.521 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@H]2CCc3ccccc32)CC[NH+]1C ZINC000659983250 1120321675 /nfs/dbraw/zinc/32/16/75/1120321675.db2.gz HVNZHPDTTAITJM-NXHRZFHOSA-N 2 1 286.463 3.521 20 0 CHADMP CC(C)[NH2+]C1CC[NH+](Cc2cccc(C(C)C)c2)CC1 ZINC000660065161 1120359089 /nfs/dbraw/zinc/35/90/89/1120359089.db2.gz PILZWNVIEJBKIU-UHFFFAOYSA-N 2 1 274.452 3.772 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(Cl)cc2)C1 ZINC000300529230 1120376051 /nfs/dbraw/zinc/37/60/51/1120376051.db2.gz MLYBTVPKRWLRNP-ZBFHGGJFSA-N 2 1 294.870 3.591 20 0 CHADMP CC(C)C[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000473014735 1120384670 /nfs/dbraw/zinc/38/46/70/1120384670.db2.gz JAEIIVYUAZQSAD-SJORKVTESA-N 2 1 266.473 3.619 20 0 CHADMP CC(C)C[C@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000473014735 1120384660 /nfs/dbraw/zinc/38/46/60/1120384660.db2.gz JAEIIVYUAZQSAD-SJORKVTESA-N 2 1 266.473 3.619 20 0 CHADMP CC(C)C[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000473014735 1120384666 /nfs/dbraw/zinc/38/46/66/1120384666.db2.gz JAEIIVYUAZQSAD-SJORKVTESA-N 2 1 266.473 3.619 20 0 CHADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417315850 1120423408 /nfs/dbraw/zinc/42/34/08/1120423408.db2.gz STCWZHUIWQHQJV-ZQDZILKHSA-N 2 1 280.481 3.560 20 0 CHADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417315850 1120423415 /nfs/dbraw/zinc/42/34/15/1120423415.db2.gz STCWZHUIWQHQJV-ZQDZILKHSA-N 2 1 280.481 3.560 20 0 CHADMP CCC[C@H](C)CCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629564162 1128915611 /nfs/dbraw/zinc/91/56/11/1128915611.db2.gz RTKOLNLZPGCHEJ-IHRRRGAJSA-N 2 1 294.405 3.662 20 0 CHADMP CCC[C@H](C)CCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629564164 1128916074 /nfs/dbraw/zinc/91/60/74/1128916074.db2.gz RTKOLNLZPGCHEJ-MELADBBJSA-N 2 1 294.405 3.662 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417367585 1120438359 /nfs/dbraw/zinc/43/83/59/1120438359.db2.gz NZJHRRMFZWJTCI-XUWVNRHRSA-N 2 1 292.492 3.562 20 0 CHADMP CN1CCC[C@H](C[N@@H+](C)[C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000543203727 1120462031 /nfs/dbraw/zinc/46/20/31/1120462031.db2.gz VPTKCGWFAKFUNC-SUMWQHHRSA-N 2 1 292.854 3.601 20 0 CHADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCc2ccc(Cl)cc21 ZINC000543203727 1120462032 /nfs/dbraw/zinc/46/20/32/1120462032.db2.gz VPTKCGWFAKFUNC-SUMWQHHRSA-N 2 1 292.854 3.601 20 0 CHADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCc2ccc(Cl)cc21 ZINC000543203727 1120462034 /nfs/dbraw/zinc/46/20/34/1120462034.db2.gz VPTKCGWFAKFUNC-SUMWQHHRSA-N 2 1 292.854 3.601 20 0 CHADMP CC(C)=CCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660257016 1120470055 /nfs/dbraw/zinc/47/00/55/1120470055.db2.gz PWZCBOHDTKVYQG-HZPDHXFCSA-N 2 1 264.457 3.585 20 0 CHADMP CCC[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000500073867 1120503592 /nfs/dbraw/zinc/50/35/92/1120503592.db2.gz JBGPKGFWQSQUMT-GVDBMIGSSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000783220182 1120512415 /nfs/dbraw/zinc/51/24/15/1120512415.db2.gz AFJHMZWLBNVUAR-GPMSIDNRSA-N 2 1 286.463 3.807 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCCc2sc(Cl)cc21 ZINC000253215660 1128922203 /nfs/dbraw/zinc/92/22/03/1128922203.db2.gz CPFQCZDKJXIKQP-RTXFEEFZSA-N 2 1 298.883 3.709 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCCc2sc(Cl)cc21 ZINC000253215660 1128922206 /nfs/dbraw/zinc/92/22/06/1128922206.db2.gz CPFQCZDKJXIKQP-RTXFEEFZSA-N 2 1 298.883 3.709 20 0 CHADMP CC[C@H](C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21)c1ccccc1 ZINC000582115068 1120539802 /nfs/dbraw/zinc/53/98/02/1120539802.db2.gz WDJAFCHOAFSJAU-NEWSRXKRSA-N 2 1 286.463 3.596 20 0 CHADMP CC[C@H](C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1ccccc1 ZINC000582115068 1120539804 /nfs/dbraw/zinc/53/98/04/1120539804.db2.gz WDJAFCHOAFSJAU-NEWSRXKRSA-N 2 1 286.463 3.596 20 0 CHADMP Cc1[nH]c2ccc(NCCC[N@@H+]3CCCC[C@H]3C)cc2[nH+]1 ZINC001167751897 1120541657 /nfs/dbraw/zinc/54/16/57/1120541657.db2.gz ORIVDNNQHRCLLS-CYBMUJFWSA-N 2 1 286.423 3.548 20 0 CHADMP CC(C)[NH+](CC[NH2+][C@@H](C)CCc1ccccc1)C(C)C ZINC000019900998 1120545806 /nfs/dbraw/zinc/54/58/06/1120545806.db2.gz HRENYTRGQDGCHU-KRWDZBQOSA-N 2 1 276.468 3.716 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCNc1cccc(C2=[NH+]CCC2)c1 ZINC001167753547 1120548133 /nfs/dbraw/zinc/54/81/33/1120548133.db2.gz KBRFCRPCYPHHHO-INIZCTEOSA-N 2 1 299.462 3.946 20 0 CHADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000499935551 1120553381 /nfs/dbraw/zinc/55/33/81/1120553381.db2.gz AKAMAQLIXAPJBX-CYBMUJFWSA-N 2 1 298.833 3.958 20 0 CHADMP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000499935551 1120553386 /nfs/dbraw/zinc/55/33/86/1120553386.db2.gz AKAMAQLIXAPJBX-CYBMUJFWSA-N 2 1 298.833 3.958 20 0 CHADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000360860761 1120556655 /nfs/dbraw/zinc/55/66/55/1120556655.db2.gz YZROESHOPPFLPE-SMDDNHRTSA-N 2 1 298.883 3.807 20 0 CHADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1c1cccc(OC)c1 ZINC000193462071 1120572195 /nfs/dbraw/zinc/57/21/95/1120572195.db2.gz LPWFBXAIVAWUNN-GOSISDBHSA-N 2 1 290.451 3.564 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1c1cccc(OC)c1 ZINC000193462071 1120572199 /nfs/dbraw/zinc/57/21/99/1120572199.db2.gz LPWFBXAIVAWUNN-GOSISDBHSA-N 2 1 290.451 3.564 20 0 CHADMP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000922668119 1120575935 /nfs/dbraw/zinc/57/59/35/1120575935.db2.gz ZORILTAOXVIZMP-UKRRQHHQSA-N 2 1 278.415 3.658 20 0 CHADMP CCC(CC)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398215918 1120594070 /nfs/dbraw/zinc/59/40/70/1120594070.db2.gz RCKZIAMJWUKYSV-LPHOPBHVSA-N 2 1 288.479 3.923 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)oc1C ZINC000282383610 1120604662 /nfs/dbraw/zinc/60/46/62/1120604662.db2.gz XCCJYEMSNDNBDS-CYBMUJFWSA-N 2 1 275.396 3.532 20 0 CHADMP Cc1ccc(C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C2CC2)cc1 ZINC000364451038 1120605477 /nfs/dbraw/zinc/60/54/77/1120605477.db2.gz VSAIYEIDOJTJMY-ZCNNSNEGSA-N 2 1 298.474 3.533 20 0 CHADMP C[NH+](C)C1(C)CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000931355929 1120636443 /nfs/dbraw/zinc/63/64/43/1120636443.db2.gz YBMMZPRJLYYBED-KRWDZBQOSA-N 2 1 290.426 3.619 20 0 CHADMP CC(C)[NH+](CCC[NH2+][C@H]1CCc2ccc(F)cc21)C(C)C ZINC000483869331 1120692778 /nfs/dbraw/zinc/69/27/78/1120692778.db2.gz XRZXFRMPYRVMOI-SFHVURJKSA-N 2 1 292.442 3.912 20 0 CHADMP CSc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000282467559 1120694480 /nfs/dbraw/zinc/69/44/80/1120694480.db2.gz GGCHSUJQMWGLSX-BFHYXJOUSA-N 2 1 278.465 3.542 20 0 CHADMP CSc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000282467559 1120694483 /nfs/dbraw/zinc/69/44/83/1120694483.db2.gz GGCHSUJQMWGLSX-BFHYXJOUSA-N 2 1 278.465 3.542 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccsc1)C(C)(C)C ZINC000661133157 1120724259 /nfs/dbraw/zinc/72/42/59/1120724259.db2.gz FOHLZSORQSTIGG-UHFFFAOYSA-N 2 1 291.464 3.715 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccsc1)C(C)(C)C ZINC000661133157 1120724264 /nfs/dbraw/zinc/72/42/64/1120724264.db2.gz FOHLZSORQSTIGG-UHFFFAOYSA-N 2 1 291.464 3.715 20 0 CHADMP CC[N@@H+](CCC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)C1CCCCC1 ZINC000651910418 1120775644 /nfs/dbraw/zinc/77/56/44/1120775644.db2.gz SOSQUNSYPCLVIK-BJWYYQGGSA-N 2 1 296.499 3.577 20 0 CHADMP c1ccc([C@H]2C[C@H]([NH2+]CC3(CC4CC4)CC3)CC[NH2+]2)cc1 ZINC000925732488 1120834964 /nfs/dbraw/zinc/83/49/64/1120834964.db2.gz BXSKXEDMIOZWMM-QZTJIDSGSA-N 2 1 284.447 3.650 20 0 CHADMP CC(C)(C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)CC(F)F ZINC000925734734 1120841701 /nfs/dbraw/zinc/84/17/01/1120841701.db2.gz UIGCEXMVTMNCMT-GJZGRUSLSA-N 2 1 296.405 3.751 20 0 CHADMP CC[C@H]1CCC[N@@H+]1Cc1ccc(-c2c[nH+]c(C)n2C)cc1 ZINC000630053003 1128945469 /nfs/dbraw/zinc/94/54/69/1128945469.db2.gz ZNSUEYQGEPWEMJ-KRWDZBQOSA-N 2 1 283.419 3.770 20 0 CHADMP CC[C@H]1CCC[N@H+]1Cc1ccc(-c2c[nH+]c(C)n2C)cc1 ZINC000630053003 1128945473 /nfs/dbraw/zinc/94/54/73/1128945473.db2.gz ZNSUEYQGEPWEMJ-KRWDZBQOSA-N 2 1 283.419 3.770 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251768733 1120883674 /nfs/dbraw/zinc/88/36/74/1120883674.db2.gz MGGDWPAKJIXVGU-LBTNJELSSA-N 2 1 268.404 3.570 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@@H]1CCc2ccccc21 ZINC000662199044 1120896622 /nfs/dbraw/zinc/89/66/22/1120896622.db2.gz XXWTXQKFZGCZPA-SFHVURJKSA-N 2 1 297.446 3.634 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@@H]1CCc2ccccc21 ZINC000662199044 1120896626 /nfs/dbraw/zinc/89/66/26/1120896626.db2.gz XXWTXQKFZGCZPA-SFHVURJKSA-N 2 1 297.446 3.634 20 0 CHADMP c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000662276440 1120917174 /nfs/dbraw/zinc/91/71/74/1120917174.db2.gz MPJJZPFDWLKHNW-HBFSDRIKSA-N 2 1 298.474 3.571 20 0 CHADMP c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000662276445 1120917675 /nfs/dbraw/zinc/91/76/75/1120917675.db2.gz MPJJZPFDWLKHNW-WSTZPKSXSA-N 2 1 298.474 3.571 20 0 CHADMP C[C@@H]1CCC[N@@H+](Cc2cnc3ccccc3c2)[C@@H]1CCC[NH3+] ZINC000662317847 1120925892 /nfs/dbraw/zinc/92/58/92/1120925892.db2.gz TVJKBVKLQLQODZ-DNVCBOLYSA-N 2 1 297.446 3.574 20 0 CHADMP CC12CC(C1)C[N@H+]2Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000662385682 1120932804 /nfs/dbraw/zinc/93/28/04/1120932804.db2.gz ATZVZJGWBADYJE-UHFFFAOYSA-N 2 1 284.447 3.657 20 0 CHADMP CC(C)c1cccc(C[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000663329681 1120935733 /nfs/dbraw/zinc/93/57/33/1120935733.db2.gz YRKLJOOKGGQGAC-UHFFFAOYSA-N 2 1 274.452 3.774 20 0 CHADMP Cc1ccc(C)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663346651 1120942038 /nfs/dbraw/zinc/94/20/38/1120942038.db2.gz BUUDTROZOITFEA-SFHVURJKSA-N 2 1 286.463 3.515 20 0 CHADMP CCC[C@H](C)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390780248 1120978749 /nfs/dbraw/zinc/97/87/49/1120978749.db2.gz RMPQYDSGBVXGIW-LNLFQRSKSA-N 2 1 288.479 3.923 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cs1 ZINC000663466202 1120981222 /nfs/dbraw/zinc/98/12/22/1120981222.db2.gz PJTPQZDJANHVGK-HOCLYGCPSA-N 2 1 292.492 3.829 20 0 CHADMP CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925777849 1120986684 /nfs/dbraw/zinc/98/66/84/1120986684.db2.gz HOFQEBWWDJNZIO-CJNGLKHVSA-N 2 1 296.405 3.705 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCNCc1cnc2ccccc2c1 ZINC000317074941 1120987432 /nfs/dbraw/zinc/98/74/32/1120987432.db2.gz HEWDIGZZAQBSLB-MRXNPFEDSA-N 2 1 297.446 3.589 20 0 CHADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cnc2ccccc2c1 ZINC000317074941 1120987436 /nfs/dbraw/zinc/98/74/36/1120987436.db2.gz HEWDIGZZAQBSLB-MRXNPFEDSA-N 2 1 297.446 3.589 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cnc2ccccc2c1 ZINC000317074941 1120987438 /nfs/dbraw/zinc/98/74/38/1120987438.db2.gz HEWDIGZZAQBSLB-MRXNPFEDSA-N 2 1 297.446 3.589 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1ccccc1OC ZINC001167824592 1120998137 /nfs/dbraw/zinc/99/81/37/1120998137.db2.gz HTPUXVLQTSWZOU-INIZCTEOSA-N 2 1 292.467 3.638 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCCC[C@H]1C ZINC001167826611 1121001660 /nfs/dbraw/zinc/00/16/60/1121001660.db2.gz OZWPYYMQJABRJI-CVEARBPZSA-N 2 1 254.462 3.761 20 0 CHADMP C[C@@H]([NH3+])C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000643529304 1121007787 /nfs/dbraw/zinc/00/77/87/1121007787.db2.gz YIMBEZMYEKWBLM-DYVFJYSZSA-N 2 1 288.822 3.561 20 0 CHADMP Cc1cccc(COc2ccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])cc2)c1 ZINC000643528805 1121008684 /nfs/dbraw/zinc/00/86/84/1121008684.db2.gz PCSCUHINTHOPBX-HZPDHXFCSA-N 2 1 298.430 3.572 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000344092751 1121081484 /nfs/dbraw/zinc/08/14/84/1121081484.db2.gz RAMOTISOIBHKCE-KRWDZBQOSA-N 2 1 278.415 3.525 20 0 CHADMP CC1CCC([N@@H+](CCC[NH3+])C2CCCCC2)CC1 ZINC000085070141 1121175190 /nfs/dbraw/zinc/17/51/90/1121175190.db2.gz UXQUGYFLNVNJEX-UHFFFAOYSA-N 2 1 252.446 3.549 20 0 CHADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000512212046 1121202149 /nfs/dbraw/zinc/20/21/49/1121202149.db2.gz MBPKUVHLNTXHMX-PKOBYXMFSA-N 2 1 286.463 3.773 20 0 CHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000512212046 1121202152 /nfs/dbraw/zinc/20/21/52/1121202152.db2.gz MBPKUVHLNTXHMX-PKOBYXMFSA-N 2 1 286.463 3.773 20 0 CHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000512212046 1121202157 /nfs/dbraw/zinc/20/21/57/1121202157.db2.gz MBPKUVHLNTXHMX-PKOBYXMFSA-N 2 1 286.463 3.773 20 0 CHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000512212046 1121202160 /nfs/dbraw/zinc/20/21/60/1121202160.db2.gz MBPKUVHLNTXHMX-PKOBYXMFSA-N 2 1 286.463 3.773 20 0 CHADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000436228206 1121215672 /nfs/dbraw/zinc/21/56/72/1121215672.db2.gz ATSDFOLZKUACEY-CGTJXYLNSA-N 2 1 274.452 3.643 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000093693494 1128970617 /nfs/dbraw/zinc/97/06/17/1128970617.db2.gz KHMBAGQJFRIFDR-FUTAKVPZSA-N 2 1 290.426 3.503 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000093693494 1128970621 /nfs/dbraw/zinc/97/06/21/1128970621.db2.gz KHMBAGQJFRIFDR-FUTAKVPZSA-N 2 1 290.426 3.503 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(c3ccccc3)CC2)CC[N@@H+]1C ZINC000122890580 1121246488 /nfs/dbraw/zinc/24/64/88/1121246488.db2.gz RXMMEDPWJXGRBT-HJZRJOMTSA-N 2 1 286.463 3.785 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(c3ccccc3)CC2)CC[N@H+]1C ZINC000122890580 1121246490 /nfs/dbraw/zinc/24/64/90/1121246490.db2.gz RXMMEDPWJXGRBT-HJZRJOMTSA-N 2 1 286.463 3.785 20 0 CHADMP CC(C)=CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512292220 1121248675 /nfs/dbraw/zinc/24/86/75/1121248675.db2.gz PBHIARFIUPLGOQ-LJQANCHMSA-N 2 1 284.447 3.551 20 0 CHADMP CC(C)=CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512292220 1121248678 /nfs/dbraw/zinc/24/86/78/1121248678.db2.gz PBHIARFIUPLGOQ-LJQANCHMSA-N 2 1 284.447 3.551 20 0 CHADMP CC(C)=CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512292220 1121248681 /nfs/dbraw/zinc/24/86/81/1121248681.db2.gz PBHIARFIUPLGOQ-LJQANCHMSA-N 2 1 284.447 3.551 20 0 CHADMP C1=C(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000658291218 1121279268 /nfs/dbraw/zinc/27/92/68/1121279268.db2.gz MWKUFTRQMJKLKZ-ACDBMABISA-N 2 1 296.458 3.882 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2ccccc2c1 ZINC000124382900 1121293710 /nfs/dbraw/zinc/29/37/10/1121293710.db2.gz WNWDTWXULRLTTH-HOTGVXAUSA-N 2 1 294.442 3.975 20 0 CHADMP CCCC[C@H](CC)CC[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000437792319 1121294934 /nfs/dbraw/zinc/29/49/34/1121294934.db2.gz LBLZLOWPQGPTKU-GVDBMIGSSA-N 2 1 266.473 3.619 20 0 CHADMP CCCC[C@H](CC)CC[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000437792319 1121294940 /nfs/dbraw/zinc/29/49/40/1121294940.db2.gz LBLZLOWPQGPTKU-GVDBMIGSSA-N 2 1 266.473 3.619 20 0 CHADMP CCCC[C@H](CC)CC[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000437792319 1121294943 /nfs/dbraw/zinc/29/49/43/1121294943.db2.gz LBLZLOWPQGPTKU-GVDBMIGSSA-N 2 1 266.473 3.619 20 0 CHADMP CCCC[C@H](CC)CC[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000437792319 1121294947 /nfs/dbraw/zinc/29/49/47/1121294947.db2.gz LBLZLOWPQGPTKU-GVDBMIGSSA-N 2 1 266.473 3.619 20 0 CHADMP CCCC[C@H](CC)CC[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000437792318 1121296012 /nfs/dbraw/zinc/29/60/12/1121296012.db2.gz LBLZLOWPQGPTKU-BBWFWOEESA-N 2 1 266.473 3.619 20 0 CHADMP CCCC[C@H](CC)CC[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000437792318 1121296015 /nfs/dbraw/zinc/29/60/15/1121296015.db2.gz LBLZLOWPQGPTKU-BBWFWOEESA-N 2 1 266.473 3.619 20 0 CHADMP CCCC[C@H](CC)CC[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000437792318 1121296018 /nfs/dbraw/zinc/29/60/18/1121296018.db2.gz LBLZLOWPQGPTKU-BBWFWOEESA-N 2 1 266.473 3.619 20 0 CHADMP CCCC[C@H](CC)CC[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000437792318 1121296022 /nfs/dbraw/zinc/29/60/22/1121296022.db2.gz LBLZLOWPQGPTKU-BBWFWOEESA-N 2 1 266.473 3.619 20 0 CHADMP Fc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc12 ZINC000631036423 1128980190 /nfs/dbraw/zinc/98/01/90/1128980190.db2.gz NMCZJOPDNSEVDR-UHFFFAOYSA-N 2 1 298.405 3.695 20 0 CHADMP C[C@@H]1CC[C@@H]([NH+](C)C/C=C\C[N@H+](C)[C@H]2CC[C@@H](C)C2)C1 ZINC000429580843 1121341160 /nfs/dbraw/zinc/34/11/60/1121341160.db2.gz RGOLOUYKFMHFOY-LAHXUIENSA-N 2 1 278.484 3.783 20 0 CHADMP C[C@@H]1CC[C@@H]([N@@H+](C)C/C=C\C[NH+](C)[C@H]2CC[C@@H](C)C2)C1 ZINC000429580843 1121341167 /nfs/dbraw/zinc/34/11/67/1121341167.db2.gz RGOLOUYKFMHFOY-LAHXUIENSA-N 2 1 278.484 3.783 20 0 CHADMP C[C@@H]1CC[C@@H]([N@H+](C)C/C=C\C[NH+](C)[C@H]2CC[C@@H](C)C2)C1 ZINC000429580843 1121341175 /nfs/dbraw/zinc/34/11/75/1121341175.db2.gz RGOLOUYKFMHFOY-LAHXUIENSA-N 2 1 278.484 3.783 20 0 CHADMP C[C@@H](CCc1cccc(F)c1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000432790539 1121353561 /nfs/dbraw/zinc/35/35/61/1121353561.db2.gz CJZMEMQHUNCDHZ-YJBOKZPZSA-N 2 1 292.442 3.563 20 0 CHADMP Cc1occc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000675779718 1121354130 /nfs/dbraw/zinc/35/41/30/1121354130.db2.gz PGEDAYHSCCEISW-RDTXWAMCSA-N 2 1 290.451 3.721 20 0 CHADMP Cc1occc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000675779716 1121355709 /nfs/dbraw/zinc/35/57/09/1121355709.db2.gz PGEDAYHSCCEISW-KDOFPFPSSA-N 2 1 290.451 3.721 20 0 CHADMP CCSc1cccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000432796441 1121359070 /nfs/dbraw/zinc/35/90/70/1121359070.db2.gz AIPNSTWXJFZJRB-MRXNPFEDSA-N 2 1 292.492 3.715 20 0 CHADMP CCSc1cccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000432796441 1121359078 /nfs/dbraw/zinc/35/90/78/1121359078.db2.gz AIPNSTWXJFZJRB-MRXNPFEDSA-N 2 1 292.492 3.715 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](c2ccccc2)C2CCC2)CC1 ZINC000675814321 1121366251 /nfs/dbraw/zinc/36/62/51/1121366251.db2.gz UHOAROHGKKSVEO-GOSISDBHSA-N 2 1 272.436 3.602 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000432815848 1121382848 /nfs/dbraw/zinc/38/28/48/1121382848.db2.gz KTKPXLHMSMJGOJ-MRXNPFEDSA-N 2 1 294.870 3.873 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000432815848 1121382857 /nfs/dbraw/zinc/38/28/57/1121382857.db2.gz KTKPXLHMSMJGOJ-MRXNPFEDSA-N 2 1 294.870 3.873 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@]1(C)C1CCCCC1 ZINC001175643044 1121406390 /nfs/dbraw/zinc/40/63/90/1121406390.db2.gz JNXLGXLWAMHGCV-SJORKVTESA-N 2 1 264.457 3.515 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@]1(C)C1CCCCC1 ZINC001175643044 1121406395 /nfs/dbraw/zinc/40/63/95/1121406395.db2.gz JNXLGXLWAMHGCV-SJORKVTESA-N 2 1 264.457 3.515 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@]1(C)C1CCCCC1 ZINC001175643044 1121406397 /nfs/dbraw/zinc/40/63/97/1121406397.db2.gz JNXLGXLWAMHGCV-SJORKVTESA-N 2 1 264.457 3.515 20 0 CHADMP FC(F)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000131517506 1121410198 /nfs/dbraw/zinc/41/01/98/1121410198.db2.gz MKGVAFAPXVXUQJ-HOTGVXAUSA-N 2 1 294.389 3.588 20 0 CHADMP c1ccc([C@H]2CCC[C@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000631184372 1128990266 /nfs/dbraw/zinc/99/02/66/1128990266.db2.gz LLSWZHQRDQURBB-INDMIFKZSA-N 2 1 284.447 3.539 20 0 CHADMP C[N@@H+](CCCCCC[NH3+])Cc1cccc2ccccc21 ZINC000710837029 1121476054 /nfs/dbraw/zinc/47/60/54/1121476054.db2.gz PITWTXDWPPZTHL-UHFFFAOYSA-N 2 1 270.420 3.791 20 0 CHADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCCCCC[NH3+] ZINC000710830144 1121476136 /nfs/dbraw/zinc/47/61/36/1121476136.db2.gz QWRYCQYCKBZIRT-AWEZNQCLSA-N 2 1 282.859 3.722 20 0 CHADMP C[N@@H+](CCCCCC[NH3+])Cc1ccc2ccccc2c1 ZINC000710840962 1121476344 /nfs/dbraw/zinc/47/63/44/1121476344.db2.gz CWVHNDZIKFVLLX-UHFFFAOYSA-N 2 1 270.420 3.791 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]C(C)(C)c1ccccc1F ZINC000429261135 1121488428 /nfs/dbraw/zinc/48/84/28/1121488428.db2.gz AERPTNLHLMNSAD-UHFFFAOYSA-N 2 1 289.398 3.636 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246160505 1121493235 /nfs/dbraw/zinc/49/32/35/1121493235.db2.gz HQCFSFQPBCRLND-YJBOKZPZSA-N 2 1 290.426 3.695 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246160505 1121493240 /nfs/dbraw/zinc/49/32/40/1121493240.db2.gz HQCFSFQPBCRLND-YJBOKZPZSA-N 2 1 290.426 3.695 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+]([C@@H]2C[C@H]3C[C@H]3C2)C2CCCCC2)CC1 ZINC001167916686 1121547027 /nfs/dbraw/zinc/54/70/27/1121547027.db2.gz IRRSHIUEFWRLMW-NWUZLNDISA-N 2 1 276.468 3.690 20 0 CHADMP CC[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1cc(C)ccc1C ZINC000626020568 1121578169 /nfs/dbraw/zinc/57/81/69/1121578169.db2.gz SWTMDZLVUHZWDJ-GOSISDBHSA-N 2 1 285.435 3.710 20 0 CHADMP CC(CCN1CCC=C(F)C1)CC[N@H+]1CCC=C(F)C1 ZINC000411444969 1121585134 /nfs/dbraw/zinc/58/51/34/1121585134.db2.gz NZTIVMZMAZSCFK-UHFFFAOYSA-N 2 1 284.394 3.521 20 0 CHADMP CC(CC[NH+]1CCC=C(F)C1)CC[N@@H+]1CCC=C(F)C1 ZINC000411444969 1121585138 /nfs/dbraw/zinc/58/51/38/1121585138.db2.gz NZTIVMZMAZSCFK-UHFFFAOYSA-N 2 1 284.394 3.521 20 0 CHADMP CC(CC[NH+]1CCC=C(F)C1)CC[N@H+]1CCC=C(F)C1 ZINC000411444969 1121585141 /nfs/dbraw/zinc/58/51/41/1121585141.db2.gz NZTIVMZMAZSCFK-UHFFFAOYSA-N 2 1 284.394 3.521 20 0 CHADMP Cc1cc[nH+]c(C)c1Nc1ccc(C[NH+](C)C)cc1 ZINC001176291913 1121591288 /nfs/dbraw/zinc/59/12/88/1121591288.db2.gz JCRFLWYIFIVFRH-UHFFFAOYSA-N 2 1 255.365 3.504 20 0 CHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)c1ccncc1 ZINC000626062172 1121593685 /nfs/dbraw/zinc/59/36/85/1121593685.db2.gz KDRPGZKJJURMRQ-INIZCTEOSA-N 2 1 297.446 3.726 20 0 CHADMP C[C@H](CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000221287356 1121606477 /nfs/dbraw/zinc/60/64/77/1121606477.db2.gz LMKHCSBSYYZKTC-QRQLOZEOSA-N 2 1 286.463 3.644 20 0 CHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCC4CC4)[C@@H]3C2)cc1 ZINC000512666420 1121673535 /nfs/dbraw/zinc/67/35/35/1121673535.db2.gz KKANHFVWWBYJRN-XUVXKRRUSA-N 2 1 298.474 3.677 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(C2CC2)cc1 ZINC000419347661 1121673959 /nfs/dbraw/zinc/67/39/59/1121673959.db2.gz XAYJGVCKIOCMJP-KBXCAEBGSA-N 2 1 272.436 3.699 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000273902966 1121682343 /nfs/dbraw/zinc/68/23/43/1121682343.db2.gz XRMNXFMXUZUVGE-GOSISDBHSA-N 2 1 283.419 3.809 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC000273902966 1121682348 /nfs/dbraw/zinc/68/23/48/1121682348.db2.gz XRMNXFMXUZUVGE-GOSISDBHSA-N 2 1 283.419 3.809 20 0 CHADMP F[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001176808642 1121695755 /nfs/dbraw/zinc/69/57/55/1121695755.db2.gz OIVCEUNIGIWFDM-GOSISDBHSA-N 2 1 290.426 3.606 20 0 CHADMP F[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001176808642 1121695758 /nfs/dbraw/zinc/69/57/58/1121695758.db2.gz OIVCEUNIGIWFDM-GOSISDBHSA-N 2 1 290.426 3.606 20 0 CHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc3ccccc32)CC1 ZINC001206292436 1121709006 /nfs/dbraw/zinc/70/90/06/1121709006.db2.gz AMOULMVTSTWFQG-LJQANCHMSA-N 2 1 282.431 3.791 20 0 CHADMP CCC[NH+](CCC)CCC[NH2+]Cc1cncc2ccccc21 ZINC001177057257 1121709220 /nfs/dbraw/zinc/70/92/20/1121709220.db2.gz RAIMBCXOUMICIG-UHFFFAOYSA-N 2 1 299.462 3.837 20 0 CHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccoc2)cc1 ZINC000727465830 1121721327 /nfs/dbraw/zinc/72/13/27/1121721327.db2.gz LJIXAJDJSIEOMC-MRXNPFEDSA-N 2 1 298.430 3.944 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[C@@H](CCC(C)C)C1 ZINC001177328124 1121724800 /nfs/dbraw/zinc/72/48/00/1121724800.db2.gz IAHIBJPMQLMCNC-SJORKVTESA-N 2 1 277.456 3.776 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC001177541816 1121737373 /nfs/dbraw/zinc/73/73/73/1121737373.db2.gz FBAHKKPCLBBWTN-ARFHVFGLSA-N 2 1 266.473 3.523 20 0 CHADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H]1CC=CCC1 ZINC001177741694 1121747203 /nfs/dbraw/zinc/74/72/03/1121747203.db2.gz BVMWIHIHRAWOHY-DLBZAZTESA-N 2 1 264.457 3.587 20 0 CHADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H]1CC=CCC1 ZINC001177741694 1121747210 /nfs/dbraw/zinc/74/72/10/1121747210.db2.gz BVMWIHIHRAWOHY-DLBZAZTESA-N 2 1 264.457 3.587 20 0 CHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2C)C1 ZINC001177835775 1121751914 /nfs/dbraw/zinc/75/19/14/1121751914.db2.gz WSIHXRROELKICH-ARFHVFGLSA-N 2 1 266.473 3.665 20 0 CHADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2C)C1 ZINC001177835775 1121751916 /nfs/dbraw/zinc/75/19/16/1121751916.db2.gz WSIHXRROELKICH-ARFHVFGLSA-N 2 1 266.473 3.665 20 0 CHADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]CCCC(C)C)C1 ZINC001177833661 1121752109 /nfs/dbraw/zinc/75/21/09/1121752109.db2.gz BXZSLCBVZQDKQO-MRXNPFEDSA-N 2 1 268.489 3.913 20 0 CHADMP c1ccc2cc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)ccc2c1 ZINC001204727867 1121754514 /nfs/dbraw/zinc/75/45/14/1121754514.db2.gz SRGOBSMXQXYPEI-UHFFFAOYSA-N 2 1 294.442 3.805 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC001178584016 1121795917 /nfs/dbraw/zinc/79/59/17/1121795917.db2.gz CNNPEZFRBKQKHY-SOLBZPMBSA-N 2 1 278.484 3.952 20 0 CHADMP C[C@H](CCc1c[nH]c2ccccc12)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000631588188 1129010872 /nfs/dbraw/zinc/01/08/72/1129010872.db2.gz SSHFQBMDPBTGOC-BFYDXBDKSA-N 2 1 299.462 3.561 20 0 CHADMP C[C@H](CCc1c[nH]c2ccccc12)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000631588188 1129010875 /nfs/dbraw/zinc/01/08/75/1129010875.db2.gz SSHFQBMDPBTGOC-BFYDXBDKSA-N 2 1 299.462 3.561 20 0 CHADMP CC(C)Cc1ccc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206363575 1121847524 /nfs/dbraw/zinc/84/75/24/1121847524.db2.gz YBKYQYZRWGAIGI-SFHVURJKSA-N 2 1 292.442 3.538 20 0 CHADMP CC(C)Cc1ccc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206363575 1121847534 /nfs/dbraw/zinc/84/75/34/1121847534.db2.gz YBKYQYZRWGAIGI-SFHVURJKSA-N 2 1 292.442 3.538 20 0 CHADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(C2CCC2)cc1 ZINC000631622598 1129014245 /nfs/dbraw/zinc/01/42/45/1129014245.db2.gz QTJBCNKTUMHDMW-CQSZACIVSA-N 2 1 283.419 3.581 20 0 CHADMP C[C@H]1CC([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C[C@H](C)C1 ZINC001179266724 1121865598 /nfs/dbraw/zinc/86/55/98/1121865598.db2.gz WRHQOZFDLLEYHY-BFYDXBDKSA-N 2 1 278.484 3.523 20 0 CHADMP C[NH+]1CCC([NH2+][C@H](CC2CC2)c2ccc(Cl)cc2)CC1 ZINC000345672641 1121902051 /nfs/dbraw/zinc/90/20/51/1121902051.db2.gz FKYHFUNSGKZNFB-QGZVFWFLSA-N 2 1 292.854 3.865 20 0 CHADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC001179829678 1121913010 /nfs/dbraw/zinc/91/30/10/1121913010.db2.gz GDLPOHNTEUKUCW-CYBMUJFWSA-N 2 1 298.858 3.559 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCSC2CCCCC2)[C@@H](C)C1 ZINC000501035655 1121946437 /nfs/dbraw/zinc/94/64/37/1121946437.db2.gz IPXRGOXLDFGRSG-DOTOQJQBSA-N 2 1 298.540 3.714 20 0 CHADMP CCC(CC)[N@@H+](C)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204269999 1121990828 /nfs/dbraw/zinc/99/08/28/1121990828.db2.gz MLHKEXXDUCEXJS-UHFFFAOYSA-N 2 1 292.467 3.638 20 0 CHADMP Cc1cccc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)c1 ZINC000420295422 1121995843 /nfs/dbraw/zinc/99/58/43/1121995843.db2.gz AHPFGUKHZFGRAE-AEFFLSMTSA-N 2 1 272.436 3.522 20 0 CHADMP CC[N@@H+](Cc1cccc(C(F)F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000420303720 1121997997 /nfs/dbraw/zinc/99/79/97/1121997997.db2.gz DAZALAYLUMXSCF-OAHLLOKOSA-N 2 1 282.378 3.588 20 0 CHADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420311888 1121999238 /nfs/dbraw/zinc/99/92/38/1121999238.db2.gz WFMGLAZRIOIKLQ-RCCFBDPRSA-N 2 1 286.463 3.563 20 0 CHADMP C[C@@H]([NH3+])C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000420422390 1122005818 /nfs/dbraw/zinc/00/58/18/1122005818.db2.gz ZJOPTAUDZOSPKK-MFKMUULPSA-N 2 1 288.357 3.729 20 0 CHADMP C[C@H](CC1CCC1)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001181275854 1122046272 /nfs/dbraw/zinc/04/62/72/1122046272.db2.gz GOAROGKYOLAULD-CRAIPNDOSA-N 2 1 278.484 3.952 20 0 CHADMP CC[N@@H+](C/C=C\c1c(C)cc(C)cc1C)CCC[NH+](C)C ZINC001181505982 1122059893 /nfs/dbraw/zinc/05/98/93/1122059893.db2.gz LMYKJLNCUKEPGE-NTMALXAHSA-N 2 1 288.479 3.899 20 0 CHADMP CC[N@H+](C/C=C\c1c(C)cc(C)cc1C)CCC[NH+](C)C ZINC001181505982 1122059897 /nfs/dbraw/zinc/05/98/97/1122059897.db2.gz LMYKJLNCUKEPGE-NTMALXAHSA-N 2 1 288.479 3.899 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](C(C)C)[C@@H](C)c1ccsc1 ZINC000421005580 1122060363 /nfs/dbraw/zinc/06/03/63/1122060363.db2.gz JOVKPKZMOHFQEV-ZDUSSCGKSA-N 2 1 277.437 3.725 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](C(C)C)[C@@H](C)c1ccsc1 ZINC000421005580 1122060367 /nfs/dbraw/zinc/06/03/67/1122060367.db2.gz JOVKPKZMOHFQEV-ZDUSSCGKSA-N 2 1 277.437 3.725 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC[C@H]3C[C@]32C)C1 ZINC000502283156 1122070069 /nfs/dbraw/zinc/07/00/69/1122070069.db2.gz OXYHAASDSCUZRS-XMTFNYHQSA-N 2 1 278.484 3.667 20 0 CHADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC001182174657 1122114971 /nfs/dbraw/zinc/11/49/71/1122114971.db2.gz RADMPHZPGPIKSK-WMLDXEAASA-N 2 1 296.886 3.979 20 0 CHADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC001182174657 1122114974 /nfs/dbraw/zinc/11/49/74/1122114974.db2.gz RADMPHZPGPIKSK-WMLDXEAASA-N 2 1 296.886 3.979 20 0 CHADMP CC(C)[C@H](C[NH2+]CC[N@@H+]1CCCC1(C)C)c1ccccc1 ZINC001182308748 1122136280 /nfs/dbraw/zinc/13/62/80/1122136280.db2.gz KLDAJJCFOWPLRF-SFHVURJKSA-N 2 1 288.479 3.890 20 0 CHADMP CC(C)[C@H](C[NH2+]CC[N@H+]1CCCC1(C)C)c1ccccc1 ZINC001182308748 1122136281 /nfs/dbraw/zinc/13/62/81/1122136281.db2.gz KLDAJJCFOWPLRF-SFHVURJKSA-N 2 1 288.479 3.890 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000502868962 1122153717 /nfs/dbraw/zinc/15/37/17/1122153717.db2.gz VITPVNDJBZDSID-IIDMSEBBSA-N 2 1 290.426 3.693 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2F)[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000502868962 1122153721 /nfs/dbraw/zinc/15/37/21/1122153721.db2.gz VITPVNDJBZDSID-IIDMSEBBSA-N 2 1 290.426 3.693 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2F)[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000502868962 1122153723 /nfs/dbraw/zinc/15/37/23/1122153723.db2.gz VITPVNDJBZDSID-IIDMSEBBSA-N 2 1 290.426 3.693 20 0 CHADMP CC(C)CCC1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000503075956 1122166168 /nfs/dbraw/zinc/16/61/68/1122166168.db2.gz SNOPTXDLWNHNAQ-QGZVFWFLSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC001206542164 1122191587 /nfs/dbraw/zinc/19/15/87/1122191587.db2.gz TUJCXOMPFRGJPG-LJQANCHMSA-N 2 1 282.431 3.791 20 0 CHADMP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC001182903018 1122194827 /nfs/dbraw/zinc/19/48/27/1122194827.db2.gz VRFKTEINQBLWCH-MOPGFXCFSA-N 2 1 288.479 3.719 20 0 CHADMP C[C@]1([NH3+])CCC[N@@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001205256141 1122207280 /nfs/dbraw/zinc/20/72/80/1122207280.db2.gz NOUAMGMVTNKNDC-XIRDDKMYSA-N 2 1 292.854 3.647 20 0 CHADMP C[C@]1([NH3+])CCC[N@@H+](Cc2c(Cl)[nH]c3ccccc32)CC1 ZINC001205266983 1122221301 /nfs/dbraw/zinc/22/13/01/1122221301.db2.gz ZHSSHNLVAJULMN-INIZCTEOSA-N 2 1 291.826 3.525 20 0 CHADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2c[nH]c3cccc(Cl)c23)CC1 ZINC001205273055 1122224007 /nfs/dbraw/zinc/22/40/07/1122224007.db2.gz DBLRIBCWAVKUMX-MRXNPFEDSA-N 2 1 291.826 3.525 20 0 CHADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc3c(c2)CCCC3)CC1 ZINC000430059694 1122253134 /nfs/dbraw/zinc/25/31/34/1122253134.db2.gz QFQYEBWFHCXFFI-UHFFFAOYSA-N 2 1 298.474 3.626 20 0 CHADMP C[N@@H+]([C@H]1CC[C@](C)(c2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414655375 1122254353 /nfs/dbraw/zinc/25/43/53/1122254353.db2.gz KXBRKYSNIJHKLD-PWZRSLRQSA-N 2 1 298.474 3.712 20 0 CHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CC4CC4)[C@@H]3C2)cc1 ZINC000514103652 1122375786 /nfs/dbraw/zinc/37/57/86/1122375786.db2.gz DFQCWVVPKSHUNJ-XUVXKRRUSA-N 2 1 298.474 3.677 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(F)c(C)c1 ZINC000514153264 1122382867 /nfs/dbraw/zinc/38/28/67/1122382867.db2.gz DVCXWPTTWWBQOA-AWEZNQCLSA-N 2 1 266.404 3.517 20 0 CHADMP CC[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccccc1OC ZINC000775077160 1122418227 /nfs/dbraw/zinc/41/82/27/1122418227.db2.gz KIRIHQRCAJANIJ-NVXWUHKLSA-N 2 1 290.451 3.610 20 0 CHADMP CC[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccccc1OC ZINC000775077160 1122418231 /nfs/dbraw/zinc/41/82/31/1122418231.db2.gz KIRIHQRCAJANIJ-NVXWUHKLSA-N 2 1 290.451 3.610 20 0 CHADMP CC1(C)CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000514799913 1122453429 /nfs/dbraw/zinc/45/34/29/1122453429.db2.gz XTHVTMBSNDJWAG-KRWDZBQOSA-N 2 1 298.474 3.962 20 0 CHADMP CC1(C)CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000514799913 1122453432 /nfs/dbraw/zinc/45/34/32/1122453432.db2.gz XTHVTMBSNDJWAG-KRWDZBQOSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000435382472 1122462996 /nfs/dbraw/zinc/46/29/96/1122462996.db2.gz DDYXWWLZPGYXNX-HOCLYGCPSA-N 2 1 284.403 3.506 20 0 CHADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccccc2Oc2ccccc2)C1 ZINC000514938946 1122465257 /nfs/dbraw/zinc/46/52/57/1122465257.db2.gz SVNGKACQYWQJDB-INIZCTEOSA-N 2 1 296.414 3.650 20 0 CHADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000435745297 1122487611 /nfs/dbraw/zinc/48/76/11/1122487611.db2.gz LOXZZLNNPSKAKY-PVAVHDDUSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1)C1CCC1 ZINC000436297043 1122534827 /nfs/dbraw/zinc/53/48/27/1122534827.db2.gz LWNMMLNLIQAGTG-RHSMWYFYSA-N 2 1 264.457 3.562 20 0 CHADMP CCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436305773 1122536040 /nfs/dbraw/zinc/53/60/40/1122536040.db2.gz HIQGDDCZSSTCFC-GDBMZVCRSA-N 2 1 252.446 3.562 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)[C@@H](C)CC)CC1 ZINC001190405895 1122536417 /nfs/dbraw/zinc/53/64/17/1122536417.db2.gz CQSNPHWMHWRDER-JKSUJKDBSA-N 2 1 268.489 3.865 20 0 CHADMP C[NH+]1CCC([NH2+][C@@H]2CC(C)(C)CCc3ccccc32)CC1 ZINC000436307824 1122538664 /nfs/dbraw/zinc/53/86/64/1122538664.db2.gz LQRDMOCMWLFUBQ-GOSISDBHSA-N 2 1 286.463 3.774 20 0 CHADMP C(C[N@H+](C1CC1)C1CCCCC1)C[NH+]1CCCCC1 ZINC001190518882 1122540746 /nfs/dbraw/zinc/54/07/46/1122540746.db2.gz KCBVNGBFLIXCIV-UHFFFAOYSA-N 2 1 264.457 3.660 20 0 CHADMP C(C[N@@H+](C1CC1)C1CCCCC1)C[NH+]1CCCCC1 ZINC001190518882 1122540748 /nfs/dbraw/zinc/54/07/48/1122540748.db2.gz KCBVNGBFLIXCIV-UHFFFAOYSA-N 2 1 264.457 3.660 20 0 CHADMP C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C1CCCCCC1 ZINC001191120364 1122574427 /nfs/dbraw/zinc/57/44/27/1122574427.db2.gz FKHMAYIOKGJJKZ-SFHVURJKSA-N 2 1 278.484 3.765 20 0 CHADMP C[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)CC(C)(C)C ZINC000193332914 1129067876 /nfs/dbraw/zinc/06/78/76/1129067876.db2.gz LSDGNRYUDHUBBQ-WZYMTQMTSA-N 2 1 266.473 3.664 20 0 CHADMP C[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)CC(C)(C)C ZINC000193332904 1129068106 /nfs/dbraw/zinc/06/81/06/1129068106.db2.gz LSDGNRYUDHUBBQ-HNSVSWJLSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000517144115 1122651149 /nfs/dbraw/zinc/65/11/49/1122651149.db2.gz HALHQLWXJMJGQR-QGZVFWFLSA-N 2 1 286.463 3.819 20 0 CHADMP CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000517144115 1122651153 /nfs/dbraw/zinc/65/11/53/1122651153.db2.gz HALHQLWXJMJGQR-QGZVFWFLSA-N 2 1 286.463 3.819 20 0 CHADMP C[C@@H]1CC[N@@H+](CCCc2ccccc2Cl)CC[C@@H]1C[NH3+] ZINC001205604394 1122654933 /nfs/dbraw/zinc/65/49/33/1122654933.db2.gz VGIBZFGHEGKGKO-GDBMZVCRSA-N 2 1 294.870 3.579 20 0 CHADMP CC(C)CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1ccoc1 ZINC000425917222 1122659737 /nfs/dbraw/zinc/65/97/37/1122659737.db2.gz GLLZDZMXVRZJIX-ZBFHGGJFSA-N 2 1 266.429 3.544 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1cccc(Cl)c1F ZINC000425931445 1122664036 /nfs/dbraw/zinc/66/40/36/1122664036.db2.gz LVYUIKDTZOMDHU-BXUZGUMPSA-N 2 1 286.822 3.718 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000438070566 1122672753 /nfs/dbraw/zinc/67/27/53/1122672753.db2.gz FCZOJMGWNZCQFR-RTBURBONSA-N 2 1 288.479 3.817 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC[N@@H+]1C ZINC000438185460 1122685464 /nfs/dbraw/zinc/68/54/64/1122685464.db2.gz MGXDQDSBRSNZOI-OWYHZJEWSA-N 2 1 286.463 3.569 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC[N@H+]1C ZINC000438185460 1122685466 /nfs/dbraw/zinc/68/54/66/1122685466.db2.gz MGXDQDSBRSNZOI-OWYHZJEWSA-N 2 1 286.463 3.569 20 0 CHADMP CC[C@@H]1CC[NH+](CCCCC[N@@H+]2CC[C@H](CC)C2)C1 ZINC000438493112 1122704215 /nfs/dbraw/zinc/70/42/15/1122704215.db2.gz NUGGDFYQHVJNSS-CALCHBBNSA-N 2 1 266.473 3.621 20 0 CHADMP CC[C@@H]1CC[N@@H+](CCCCC[NH+]2CC[C@H](CC)C2)C1 ZINC000438493112 1122704218 /nfs/dbraw/zinc/70/42/18/1122704218.db2.gz NUGGDFYQHVJNSS-CALCHBBNSA-N 2 1 266.473 3.621 20 0 CHADMP CC[C@@H]1CC[N@H+](CCCCC[NH+]2CC[C@H](CC)C2)C1 ZINC000438493112 1122704221 /nfs/dbraw/zinc/70/42/21/1122704221.db2.gz NUGGDFYQHVJNSS-CALCHBBNSA-N 2 1 266.473 3.621 20 0 CHADMP CSc1cc(C)cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1 ZINC001205652487 1122748870 /nfs/dbraw/zinc/74/88/70/1122748870.db2.gz PRVMGHYWOPKPIB-HOCLYGCPSA-N 2 1 292.492 3.524 20 0 CHADMP C=C/C=C\CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001194268359 1122763408 /nfs/dbraw/zinc/76/34/08/1122763408.db2.gz HALGMXGQFABBBD-HZQHCPKGSA-N 2 1 296.458 3.717 20 0 CHADMP C=C/C=C\CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001194268359 1122763411 /nfs/dbraw/zinc/76/34/11/1122763411.db2.gz HALGMXGQFABBBD-HZQHCPKGSA-N 2 1 296.458 3.717 20 0 CHADMP C=C/C=C\CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001194268359 1122763415 /nfs/dbraw/zinc/76/34/15/1122763415.db2.gz HALGMXGQFABBBD-HZQHCPKGSA-N 2 1 296.458 3.717 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000439324350 1122771749 /nfs/dbraw/zinc/77/17/49/1122771749.db2.gz SDBJWVDVXZBDAE-BHIYHBOVSA-N 2 1 286.463 3.739 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2)CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000439324350 1122771754 /nfs/dbraw/zinc/77/17/54/1122771754.db2.gz SDBJWVDVXZBDAE-BHIYHBOVSA-N 2 1 286.463 3.739 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000439324350 1122771759 /nfs/dbraw/zinc/77/17/59/1122771759.db2.gz SDBJWVDVXZBDAE-BHIYHBOVSA-N 2 1 286.463 3.739 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2ccccc2C)[C@H](C)C1 ZINC000440355866 1122840246 /nfs/dbraw/zinc/84/02/46/1122840246.db2.gz NSCZQIQDUZSDMI-IEBWSBKVSA-N 2 1 288.479 3.590 20 0 CHADMP Cc1cc(F)ccc1[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC001195124180 1122846121 /nfs/dbraw/zinc/84/61/21/1122846121.db2.gz SSUWIPFTLKDYIL-AEFFLSMTSA-N 2 1 290.426 3.755 20 0 CHADMP Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC001195124180 1122846123 /nfs/dbraw/zinc/84/61/23/1122846123.db2.gz SSUWIPFTLKDYIL-AEFFLSMTSA-N 2 1 290.426 3.755 20 0 CHADMP Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC001195124180 1122846126 /nfs/dbraw/zinc/84/61/26/1122846126.db2.gz SSUWIPFTLKDYIL-AEFFLSMTSA-N 2 1 290.426 3.755 20 0 CHADMP CC1(C)CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167973175 1122870163 /nfs/dbraw/zinc/87/01/63/1122870163.db2.gz IJYREQNISKHFQA-XYTVBORESA-N 2 1 276.468 3.560 20 0 CHADMP CC(C)(CC1CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167975786 1122884855 /nfs/dbraw/zinc/88/48/55/1122884855.db2.gz WBSRDKRLMBSKMK-ALOPSCKCSA-N 2 1 276.468 3.560 20 0 CHADMP C[N@@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167982139 1122899686 /nfs/dbraw/zinc/89/96/86/1122899686.db2.gz YALILWIASAEZFH-DFNIBXOVSA-N 2 1 284.447 3.524 20 0 CHADMP C[C@@H]1CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167983305 1122905520 /nfs/dbraw/zinc/90/55/20/1122905520.db2.gz FKXSRQOIDREDDL-NAZJXLNTSA-N 2 1 276.468 3.514 20 0 CHADMP C[C@@H]1CCCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167983305 1122905522 /nfs/dbraw/zinc/90/55/22/1122905522.db2.gz FKXSRQOIDREDDL-NAZJXLNTSA-N 2 1 276.468 3.514 20 0 CHADMP C[C@@H]1CCCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167983305 1122905528 /nfs/dbraw/zinc/90/55/28/1122905528.db2.gz FKXSRQOIDREDDL-NAZJXLNTSA-N 2 1 276.468 3.514 20 0 CHADMP CC[NH+]1CCC([N@H+](C)Cc2cc(C)cc(Cl)c2)CC1 ZINC000507092654 1122923016 /nfs/dbraw/zinc/92/30/16/1122923016.db2.gz DLVOOUVTDRVSPK-UHFFFAOYSA-N 2 1 280.843 3.565 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)Cc2cc(C)cc(Cl)c2)CC1 ZINC000507092654 1122923017 /nfs/dbraw/zinc/92/30/17/1122923017.db2.gz DLVOOUVTDRVSPK-UHFFFAOYSA-N 2 1 280.843 3.565 20 0 CHADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cc(C)ccc1C ZINC001196944222 1122940950 /nfs/dbraw/zinc/94/09/50/1122940950.db2.gz UHOSXHKWNRHMFV-WMZOPIPTSA-N 2 1 274.452 3.828 20 0 CHADMP C[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@H]1C ZINC001167985085 1122945550 /nfs/dbraw/zinc/94/55/50/1122945550.db2.gz VCVXMXPPJZBPML-ZWUJWRBQSA-N 2 1 290.495 3.760 20 0 CHADMP C[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C[C@H]1C ZINC001167985085 1122945551 /nfs/dbraw/zinc/94/55/51/1122945551.db2.gz VCVXMXPPJZBPML-ZWUJWRBQSA-N 2 1 290.495 3.760 20 0 CHADMP C[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@H]1C ZINC001167985085 1122945553 /nfs/dbraw/zinc/94/55/53/1122945553.db2.gz VCVXMXPPJZBPML-ZWUJWRBQSA-N 2 1 290.495 3.760 20 0 CHADMP C[N@@H+](CC=C(Cl)Cl)CCCC[NH+]1CCCCC1 ZINC001197284393 1122951970 /nfs/dbraw/zinc/95/19/70/1122951970.db2.gz IQBOFDUNIKJSFO-UHFFFAOYSA-N 2 1 279.255 3.503 20 0 CHADMP C[N@H+](CC=C(Cl)Cl)CCCC[NH+]1CCCCC1 ZINC001197284393 1122951973 /nfs/dbraw/zinc/95/19/73/1122951973.db2.gz IQBOFDUNIKJSFO-UHFFFAOYSA-N 2 1 279.255 3.503 20 0 CHADMP CCc1cccnc1[C@H](C)NCCC[N@H+]1CCCC[C@H]1C ZINC000507483287 1122959851 /nfs/dbraw/zinc/95/98/51/1122959851.db2.gz GZDHMWFDEJMDKD-CVEARBPZSA-N 2 1 289.467 3.559 20 0 CHADMP CCc1cccnc1[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000507483287 1122959855 /nfs/dbraw/zinc/95/98/55/1122959855.db2.gz GZDHMWFDEJMDKD-CVEARBPZSA-N 2 1 289.467 3.559 20 0 CHADMP CCc1cccnc1[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000507483287 1122959864 /nfs/dbraw/zinc/95/98/64/1122959864.db2.gz GZDHMWFDEJMDKD-CVEARBPZSA-N 2 1 289.467 3.559 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205826772 1122980320 /nfs/dbraw/zinc/98/03/20/1122980320.db2.gz BNIWQKYPXFTXIA-TZMCWYRMSA-N 2 1 288.460 3.769 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205826772 1122980322 /nfs/dbraw/zinc/98/03/22/1122980322.db2.gz BNIWQKYPXFTXIA-TZMCWYRMSA-N 2 1 288.460 3.769 20 0 CHADMP Cc1cc(C)c(/C=C\C[NH2+]C2CC[NH+](C3CC3)CC2)c(C)c1 ZINC001199077928 1123020488 /nfs/dbraw/zinc/02/04/88/1123020488.db2.gz MVEMOARIGWGSLE-PLNGDYQASA-N 2 1 298.474 3.841 20 0 CHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccoc1 ZINC000309915815 1129094655 /nfs/dbraw/zinc/09/46/55/1129094655.db2.gz OCBDZMTUQPHYNQ-XYJFISCASA-N 2 1 298.430 3.841 20 0 CHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccoc1 ZINC000309915815 1129094659 /nfs/dbraw/zinc/09/46/59/1129094659.db2.gz OCBDZMTUQPHYNQ-XYJFISCASA-N 2 1 298.430 3.841 20 0 CHADMP CC[C@@H](F)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000440774560 1123038057 /nfs/dbraw/zinc/03/80/57/1123038057.db2.gz YFQFIKQKPJULGO-DOTOQJQBSA-N 2 1 284.463 3.711 20 0 CHADMP CC[C@H](F)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000440781694 1123039269 /nfs/dbraw/zinc/03/92/69/1123039269.db2.gz ISECJAOBPNDWTG-SZMVWBNQSA-N 2 1 292.442 3.719 20 0 CHADMP CC[C@H](F)C[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000440781694 1123039277 /nfs/dbraw/zinc/03/92/77/1123039277.db2.gz ISECJAOBPNDWTG-SZMVWBNQSA-N 2 1 292.442 3.719 20 0 CHADMP CC(C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000164960697 1123072068 /nfs/dbraw/zinc/07/20/68/1123072068.db2.gz GVZPDNZAPIZAIF-DZKIICNBSA-N 2 1 280.481 3.765 20 0 CHADMP CC(C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000164960697 1123072072 /nfs/dbraw/zinc/07/20/72/1123072072.db2.gz GVZPDNZAPIZAIF-DZKIICNBSA-N 2 1 280.481 3.765 20 0 CHADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001205912780 1123075369 /nfs/dbraw/zinc/07/53/69/1123075369.db2.gz CFTJHIMOPZXRKY-GOEBONIOSA-N 2 1 274.452 3.543 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000441327986 1123079255 /nfs/dbraw/zinc/07/92/55/1123079255.db2.gz AJXHZJAZQKYCPW-AEFFLSMTSA-N 2 1 297.446 3.768 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000441327986 1123079258 /nfs/dbraw/zinc/07/92/58/1123079258.db2.gz AJXHZJAZQKYCPW-AEFFLSMTSA-N 2 1 297.446 3.768 20 0 CHADMP CC(C)[NH+]1CCC(C[N@@H+](C)CC2CCCCC2)CC1 ZINC001201397456 1123092060 /nfs/dbraw/zinc/09/20/60/1123092060.db2.gz GKHINTHTCKPWPX-UHFFFAOYSA-N 2 1 266.473 3.619 20 0 CHADMP C[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001201416749 1123097715 /nfs/dbraw/zinc/09/77/15/1123097715.db2.gz ATWOKCHHMFABQA-LJQANCHMSA-N 2 1 298.474 3.939 20 0 CHADMP CSc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205922930 1123122808 /nfs/dbraw/zinc/12/28/08/1123122808.db2.gz DSJSRVLZNAMRSC-NEPJUHHUSA-N 2 1 298.883 3.621 20 0 CHADMP CSc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205922930 1123122812 /nfs/dbraw/zinc/12/28/12/1123122812.db2.gz DSJSRVLZNAMRSC-NEPJUHHUSA-N 2 1 298.883 3.621 20 0 CHADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001201717161 1123139800 /nfs/dbraw/zinc/13/98/00/1123139800.db2.gz BUOFGHCIEROEFA-UHFFFAOYSA-N 2 1 278.415 3.522 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001201717161 1123139803 /nfs/dbraw/zinc/13/98/03/1123139803.db2.gz BUOFGHCIEROEFA-UHFFFAOYSA-N 2 1 278.415 3.522 20 0 CHADMP CCCC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001201722998 1123141056 /nfs/dbraw/zinc/14/10/56/1123141056.db2.gz NUHHPWHTCPSCAG-OALUTQOASA-N 2 1 286.463 3.631 20 0 CHADMP CCCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001201722998 1123141057 /nfs/dbraw/zinc/14/10/57/1123141057.db2.gz NUHHPWHTCPSCAG-OALUTQOASA-N 2 1 286.463 3.631 20 0 CHADMP CCCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001201722998 1123141060 /nfs/dbraw/zinc/14/10/60/1123141060.db2.gz NUHHPWHTCPSCAG-OALUTQOASA-N 2 1 286.463 3.631 20 0 CHADMP CCCCCC[N@@H+](C)C1CC[NH+](CCCC)CC1 ZINC001201755872 1123146368 /nfs/dbraw/zinc/14/63/68/1123146368.db2.gz ASCLWFORGBVZRE-UHFFFAOYSA-N 2 1 254.462 3.763 20 0 CHADMP CC[N@@H+]1C[C@@H]2C[NH+](CC[C@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001201993915 1123167914 /nfs/dbraw/zinc/16/79/14/1123167914.db2.gz HCFHLDKOQVEYQJ-KURKYZTESA-N 2 1 278.484 3.643 20 0 CHADMP CC[NH+]1C[C@@H]2C[N@@H+](CC[C@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001201993915 1123167918 /nfs/dbraw/zinc/16/79/18/1123167918.db2.gz HCFHLDKOQVEYQJ-KURKYZTESA-N 2 1 278.484 3.643 20 0 CHADMP CC[NH+]1C[C@@H]2C[N@H+](CC[C@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001201993915 1123167921 /nfs/dbraw/zinc/16/79/21/1123167921.db2.gz HCFHLDKOQVEYQJ-KURKYZTESA-N 2 1 278.484 3.643 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@H]1CCCF ZINC000520557261 1123173454 /nfs/dbraw/zinc/17/34/54/1123173454.db2.gz GCTGUFLETKGHLJ-PMPSAXMXSA-N 2 1 272.452 3.615 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@H]1CCCF ZINC000520557261 1123173457 /nfs/dbraw/zinc/17/34/57/1123173457.db2.gz GCTGUFLETKGHLJ-PMPSAXMXSA-N 2 1 272.452 3.615 20 0 CHADMP C[N@@H+](Cc1ccccc1)C1CC[NH+](CC2CCCC2)CC1 ZINC001202167360 1123180589 /nfs/dbraw/zinc/18/05/89/1123180589.db2.gz WRAIZTONTHYWAC-UHFFFAOYSA-N 2 1 286.463 3.773 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1c(C)cc(C)cc1C ZINC001202306730 1123194818 /nfs/dbraw/zinc/19/48/18/1123194818.db2.gz ORSXKEIEQBTWSR-KRWDZBQOSA-N 2 1 274.452 3.576 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+]Cc1c(C)cc(C)cc1C ZINC001202306730 1123194822 /nfs/dbraw/zinc/19/48/22/1123194822.db2.gz ORSXKEIEQBTWSR-KRWDZBQOSA-N 2 1 274.452 3.576 20 0 CHADMP C[C@@H]1CC([NH2+]C(C)(C)C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168006981 1123208322 /nfs/dbraw/zinc/20/83/22/1123208322.db2.gz QASFLHOUJDINCG-HUUCEWRRSA-N 2 1 274.452 3.816 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC23CCCC3)c1 ZINC000474021452 1123258199 /nfs/dbraw/zinc/25/81/99/1123258199.db2.gz HDYXTLBTHNJQIF-SFHVURJKSA-N 2 1 286.463 3.951 20 0 CHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665249735 1123263817 /nfs/dbraw/zinc/26/38/17/1123263817.db2.gz XZQKYHFJCWVUNV-ZDUSSCGKSA-N 2 1 272.392 3.663 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000508188776 1123268922 /nfs/dbraw/zinc/26/89/22/1123268922.db2.gz AQRAMSDKRBPLHZ-SFHVURJKSA-N 2 1 274.452 3.864 20 0 CHADMP Fc1ccc([C@@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)cc1 ZINC000508197124 1123269643 /nfs/dbraw/zinc/26/96/43/1123269643.db2.gz YKAQCAKRJJEEJO-SFHVURJKSA-N 2 1 290.426 3.839 20 0 CHADMP Fc1ccc([C@@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)cc1 ZINC000508197124 1123269646 /nfs/dbraw/zinc/26/96/46/1123269646.db2.gz YKAQCAKRJJEEJO-SFHVURJKSA-N 2 1 290.426 3.839 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H]([NH3+])c3ccccc31)[C@H](C)C2 ZINC000665272932 1123302064 /nfs/dbraw/zinc/30/20/64/1123302064.db2.gz NRUAFJKQWUNVLY-UOWJPWOOSA-N 2 1 292.426 3.963 20 0 CHADMP Cc1cccc2c1CCC[C@@H]2[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000665283516 1123318016 /nfs/dbraw/zinc/31/80/16/1123318016.db2.gz PFERDPUKQLQAMI-UGSOOPFHSA-N 2 1 281.403 3.531 20 0 CHADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000271918394 1129116689 /nfs/dbraw/zinc/11/66/89/1129116689.db2.gz ZJRFZXYOGTUDPF-GFCCVEGCSA-N 2 1 298.352 3.618 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442782331 1123337770 /nfs/dbraw/zinc/33/77/70/1123337770.db2.gz PSQCGLONXGKBCW-NFOMZHRRSA-N 2 1 288.426 3.520 20 0 CHADMP C[N@H+](CC[NH2+]C1CCC(C(F)F)CC1)C1CCCCC1 ZINC000442791065 1123339175 /nfs/dbraw/zinc/33/91/75/1123339175.db2.gz IKENSZJKCRPZTR-UHFFFAOYSA-N 2 1 288.426 3.664 20 0 CHADMP C[N@@H+](CC[NH2+]C1CCC(C(F)F)CC1)C1CCCCC1 ZINC000442791065 1123339178 /nfs/dbraw/zinc/33/91/78/1123339178.db2.gz IKENSZJKCRPZTR-UHFFFAOYSA-N 2 1 288.426 3.664 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+]C2CCC(c3ccccc3)CC2)CC1 ZINC000271828611 1129115339 /nfs/dbraw/zinc/11/53/39/1129115339.db2.gz DJMVLTFLSVXTIU-UHFFFAOYSA-N 2 1 284.447 3.564 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@H](c2cccs2)C2CCCC2)CC1 ZINC000271820670 1129115393 /nfs/dbraw/zinc/11/53/93/1129115393.db2.gz CGJMWTGTLPWQMV-KRWDZBQOSA-N 2 1 290.476 3.831 20 0 CHADMP CC(C)c1ccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271874232 1129115439 /nfs/dbraw/zinc/11/54/39/1129115439.db2.gz NQEOZFVNYVSQLR-OAHLLOKOSA-N 2 1 272.436 3.723 20 0 CHADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(Cl)ccc1Cl ZINC000271820565 1129115841 /nfs/dbraw/zinc/11/58/41/1129115841.db2.gz CEILFKVTRAXDRQ-LLVKDONJSA-N 2 1 299.245 3.906 20 0 CHADMP C[C@@H]([NH2+]CC=C(Cl)Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000851925840 1123390429 /nfs/dbraw/zinc/39/04/29/1123390429.db2.gz CFSWURVUSWJIDF-VXGBXAGGSA-N 2 1 291.266 3.548 20 0 CHADMP C[C@@H]([NH2+]CC=C(Cl)Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000851925840 1123390432 /nfs/dbraw/zinc/39/04/32/1123390432.db2.gz CFSWURVUSWJIDF-VXGBXAGGSA-N 2 1 291.266 3.548 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000443415782 1123396301 /nfs/dbraw/zinc/39/63/01/1123396301.db2.gz LYJJIBMZIOGICH-WMZOPIPTSA-N 2 1 278.484 3.785 20 0 CHADMP C[N@@H+](Cc1cccc(C(C)(C)C)c1)C1CCC([NH3+])CC1 ZINC000852741634 1123413545 /nfs/dbraw/zinc/41/35/45/1123413545.db2.gz XGKFBVFAOGOKJF-UHFFFAOYSA-N 2 1 274.452 3.686 20 0 CHADMP [NH3+]CCCCCC[N@H+](Cc1ccccc1F)CC1CC1 ZINC000852759675 1123414657 /nfs/dbraw/zinc/41/46/57/1123414657.db2.gz SNYAKUYDPYQOKV-UHFFFAOYSA-N 2 1 278.415 3.557 20 0 CHADMP C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853240249 1123428957 /nfs/dbraw/zinc/42/89/57/1123428957.db2.gz NRODDDNKPPFWHZ-ZBFHGGJFSA-N 2 1 266.473 3.523 20 0 CHADMP CC(C)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000157019521 1129121249 /nfs/dbraw/zinc/12/12/49/1129121249.db2.gz RTAIHRXBOCGAQV-WMZOPIPTSA-N 2 1 274.452 3.627 20 0 CHADMP CC(C)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000157019521 1129121252 /nfs/dbraw/zinc/12/12/52/1129121252.db2.gz RTAIHRXBOCGAQV-WMZOPIPTSA-N 2 1 274.452 3.627 20 0 CHADMP CC(C)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157019521 1129121254 /nfs/dbraw/zinc/12/12/54/1129121254.db2.gz RTAIHRXBOCGAQV-WMZOPIPTSA-N 2 1 274.452 3.627 20 0 CHADMP CC(C)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157019521 1129121258 /nfs/dbraw/zinc/12/12/58/1129121258.db2.gz RTAIHRXBOCGAQV-WMZOPIPTSA-N 2 1 274.452 3.627 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@H](C)CCc2ccccc2)C1 ZINC001648959960 1123438993 /nfs/dbraw/zinc/43/89/93/1123438993.db2.gz HDVINWGIQWAXEL-MJGOQNOKSA-N 2 1 288.479 3.577 20 0 CHADMP CC(C)CSCCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000443608273 1123443831 /nfs/dbraw/zinc/44/38/31/1123443831.db2.gz YHPBHOZTOJKYLH-KRWDZBQOSA-N 2 1 298.540 3.574 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCSCC(C)C)C[C@H]1C ZINC000443618672 1123447997 /nfs/dbraw/zinc/44/79/97/1123447997.db2.gz DXLDKYHZJISPGH-HZPDHXFCSA-N 2 1 286.529 3.570 20 0 CHADMP C(C1CCCCC1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157148204 1129122799 /nfs/dbraw/zinc/12/27/99/1129122799.db2.gz XXGFMXVNZQPJBF-QGZVFWFLSA-N 2 1 264.457 3.517 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000474457301 1123533018 /nfs/dbraw/zinc/53/30/18/1123533018.db2.gz GAUBBBYXPYHDPW-PMPSAXMXSA-N 2 1 292.467 3.507 20 0 CHADMP C[C@@H]([NH2+]C[C@H](C1CCCCC1)[NH+](C)C)C1CCSCC1 ZINC000474484463 1123538915 /nfs/dbraw/zinc/53/89/15/1123538915.db2.gz JPVBJUXGUUGONT-RHSMWYFYSA-N 2 1 298.540 3.618 20 0 CHADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C1CCSCC1 ZINC000474868041 1123605290 /nfs/dbraw/zinc/60/52/90/1123605290.db2.gz KBEPXNRXDPQJRS-DOTOQJQBSA-N 2 1 298.540 3.618 20 0 CHADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C1CCSCC1 ZINC000474868041 1123605292 /nfs/dbraw/zinc/60/52/92/1123605292.db2.gz KBEPXNRXDPQJRS-DOTOQJQBSA-N 2 1 298.540 3.618 20 0 CHADMP CCC1([NH+](C)C)CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000639378538 1123607530 /nfs/dbraw/zinc/60/75/30/1123607530.db2.gz HPRJKBMIRWMAFW-UHFFFAOYSA-N 2 1 296.405 3.930 20 0 CHADMP C[NH+](C)Cc1cnc(C[NH2+]CC[C@@H]2CCCC2(C)C)s1 ZINC000858203242 1123637830 /nfs/dbraw/zinc/63/78/30/1123637830.db2.gz PDVZGTMTULOWHL-ZDUSSCGKSA-N 2 1 295.496 3.511 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1(C)C ZINC000858320562 1123644944 /nfs/dbraw/zinc/64/49/44/1123644944.db2.gz DZDLHILKCLGQPQ-GDBMZVCRSA-N 2 1 292.854 3.790 20 0 CHADMP C[N@@H+](CCCC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000395236535 1123646221 /nfs/dbraw/zinc/64/62/21/1123646221.db2.gz PSBUIQHEDLMGRW-SJPCQFCGSA-N 2 1 264.457 3.562 20 0 CHADMP CCCc1cc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000443887016 1123647253 /nfs/dbraw/zinc/64/72/53/1123647253.db2.gz FTUZVBACLRUILC-ZBFHGGJFSA-N 2 1 297.446 3.504 20 0 CHADMP CCCC[N@@H+](CCn1ccnc1)Cc1ccccc1Cl ZINC000346309467 1123679999 /nfs/dbraw/zinc/67/99/99/1123679999.db2.gz MBJVHIRWIDIISH-UHFFFAOYSA-N 2 1 291.826 3.839 20 0 CHADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)cs2)C1 ZINC000346650553 1123701415 /nfs/dbraw/zinc/70/14/15/1123701415.db2.gz PQBKCOCVGWCLMW-HIFRSBDPSA-N 2 1 286.444 3.584 20 0 CHADMP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000346971239 1123737859 /nfs/dbraw/zinc/73/78/59/1123737859.db2.gz GPFBFMGZCRYCOB-ZDUSSCGKSA-N 2 1 295.496 3.567 20 0 CHADMP Cc1ccc([C@H]2CCCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346982107 1123739215 /nfs/dbraw/zinc/73/92/15/1123739215.db2.gz MYSKPAHGRGJSRA-SJLPKXTDSA-N 2 1 272.436 3.522 20 0 CHADMP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000346984132 1123739816 /nfs/dbraw/zinc/73/98/16/1123739816.db2.gz OIFIQGZLXMZKBB-KBPBESRZSA-N 2 1 295.496 3.567 20 0 CHADMP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000346984132 1123739819 /nfs/dbraw/zinc/73/98/19/1123739819.db2.gz OIFIQGZLXMZKBB-KBPBESRZSA-N 2 1 295.496 3.567 20 0 CHADMP CC[C@H](C[N@H+]1CCCC12CC[NH+](C)CC2)c1ccccc1 ZINC000475116894 1123795251 /nfs/dbraw/zinc/79/52/51/1123795251.db2.gz FWMSAHPENCWKGL-QGZVFWFLSA-N 2 1 286.463 3.740 20 0 CHADMP C[C@H](C[NH2+]Cc1ccc(Cl)c(F)c1)C[NH+]1CCCCC1 ZINC000043389918 1123805124 /nfs/dbraw/zinc/80/51/24/1123805124.db2.gz QJCOKNVEUVNLQS-CYBMUJFWSA-N 2 1 298.833 3.691 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C)CCC(C)CC2)[C@H](C)C1 ZINC000475431888 1123865253 /nfs/dbraw/zinc/86/52/53/1123865253.db2.gz WHFHQYRAZSJWBV-GMRIPVOYSA-N 2 1 266.473 3.523 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@@H]13)CCC2 ZINC000339065603 1123914543 /nfs/dbraw/zinc/91/45/43/1123914543.db2.gz BFNFQNQHFRGXOG-QRVBRYPASA-N 2 1 284.447 3.589 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@@H]13)CCC2 ZINC000339065603 1123914545 /nfs/dbraw/zinc/91/45/45/1123914545.db2.gz BFNFQNQHFRGXOG-QRVBRYPASA-N 2 1 284.447 3.589 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccccc1C(C)(C)C ZINC000339066586 1123922613 /nfs/dbraw/zinc/92/26/13/1123922613.db2.gz GHQHOVKKROKQMU-CQSZACIVSA-N 2 1 285.435 3.840 20 0 CHADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCCc2cccc(Cl)c2)C1 ZINC000621257995 1129153612 /nfs/dbraw/zinc/15/36/12/1129153612.db2.gz UFRVTWYBKYEVGU-INIZCTEOSA-N 2 1 294.870 3.546 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(C)(C)c2ccccc2)C1 ZINC000037644506 1129155131 /nfs/dbraw/zinc/15/51/31/1129155131.db2.gz YYVXTJHGSQVJDT-IRXDYDNUSA-N 2 1 288.479 3.674 20 0 CHADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000444596009 1124043968 /nfs/dbraw/zinc/04/39/68/1124043968.db2.gz KURVPCOJLMOCSO-IRXDYDNUSA-N 2 1 266.473 3.763 20 0 CHADMP CCC[C@H](C)[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000444596007 1124044296 /nfs/dbraw/zinc/04/42/96/1124044296.db2.gz KURVPCOJLMOCSO-DLBZAZTESA-N 2 1 266.473 3.763 20 0 CHADMP CCC(CC)(C[NH2+]C1CC[NH+](C2CC2)CC1)C(F)(F)F ZINC000866506450 1124074464 /nfs/dbraw/zinc/07/44/64/1124074464.db2.gz KNEGRXGSCHFMPP-UHFFFAOYSA-N 2 1 292.389 3.572 20 0 CHADMP C[N@H+](C/C=C/c1ccc(Cl)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000508568624 1124115796 /nfs/dbraw/zinc/11/57/96/1124115796.db2.gz KWFHHMHNTFYKSM-LLCTXKFZSA-N 2 1 292.854 3.627 20 0 CHADMP C[N@@H+](C/C=C/c1ccc(Cl)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000508568624 1124115798 /nfs/dbraw/zinc/11/57/98/1124115798.db2.gz KWFHHMHNTFYKSM-LLCTXKFZSA-N 2 1 292.854 3.627 20 0 CHADMP C[NH+](C/C=C/c1ccc(Cl)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000508568624 1124115799 /nfs/dbraw/zinc/11/57/99/1124115799.db2.gz KWFHHMHNTFYKSM-LLCTXKFZSA-N 2 1 292.854 3.627 20 0 CHADMP C[NH+](C/C=C/c1ccc(Cl)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000508568624 1124115800 /nfs/dbraw/zinc/11/58/00/1124115800.db2.gz KWFHHMHNTFYKSM-LLCTXKFZSA-N 2 1 292.854 3.627 20 0 CHADMP Cc1cc(F)cc(Cl)c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001238784297 1131248334 /nfs/dbraw/zinc/24/83/34/1131248334.db2.gz GYKKZMBEUFGOSZ-UHFFFAOYSA-N 2 1 298.833 3.561 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCC3(CCCCC3)CC2)C1 ZINC000525969761 1124487170 /nfs/dbraw/zinc/48/71/70/1124487170.db2.gz PSSLWNRTDVXWEP-MRXNPFEDSA-N 2 1 278.484 3.811 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H](C)c2ccccc2)C[C@H]1C ZINC000447720523 1124516225 /nfs/dbraw/zinc/51/62/25/1124516225.db2.gz BZPQDVGCJNFMHR-LMMKCTJWSA-N 2 1 288.479 3.985 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H](C)c2ccccc2)C[C@H]1C ZINC000447720523 1124516230 /nfs/dbraw/zinc/51/62/30/1124516230.db2.gz BZPQDVGCJNFMHR-LMMKCTJWSA-N 2 1 288.479 3.985 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H](C)c2ccccc2)C[C@H]1C ZINC000447720523 1124516235 /nfs/dbraw/zinc/51/62/35/1124516235.db2.gz BZPQDVGCJNFMHR-LMMKCTJWSA-N 2 1 288.479 3.985 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCCCCC1 ZINC000526988721 1124537894 /nfs/dbraw/zinc/53/78/94/1124537894.db2.gz HQYUQLWIJVIQBS-CCNLRDMRSA-N 2 1 278.484 3.950 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCCCCC1 ZINC000526988721 1124537898 /nfs/dbraw/zinc/53/78/98/1124537898.db2.gz HQYUQLWIJVIQBS-CCNLRDMRSA-N 2 1 278.484 3.950 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3ccoc32)[C@@H](C)C1 ZINC000449027086 1124634869 /nfs/dbraw/zinc/63/48/69/1124634869.db2.gz HCKQRLRQZMQEHX-YOEHRIQHSA-N 2 1 286.419 3.595 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3ccoc32)[C@@H](C)C1 ZINC000449027086 1124634874 /nfs/dbraw/zinc/63/48/74/1124634874.db2.gz HCKQRLRQZMQEHX-YOEHRIQHSA-N 2 1 286.419 3.595 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3ccoc32)[C@@H](C)C1 ZINC000449027086 1124634876 /nfs/dbraw/zinc/63/48/76/1124634876.db2.gz HCKQRLRQZMQEHX-YOEHRIQHSA-N 2 1 286.419 3.595 20 0 CHADMP Cc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cs1 ZINC000449030419 1124635074 /nfs/dbraw/zinc/63/50/74/1124635074.db2.gz RQYRBQGWENWHIZ-MRXNPFEDSA-N 2 1 278.465 3.507 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cs1 ZINC000449030419 1124635075 /nfs/dbraw/zinc/63/50/75/1124635075.db2.gz RQYRBQGWENWHIZ-MRXNPFEDSA-N 2 1 278.465 3.507 20 0 CHADMP Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cccc2ccoc21 ZINC000449035328 1124637065 /nfs/dbraw/zinc/63/70/65/1124637065.db2.gz GLPCRTAFPYLCLP-KRWDZBQOSA-N 2 1 295.386 3.602 20 0 CHADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cccc2ccoc21 ZINC000449035328 1124637070 /nfs/dbraw/zinc/63/70/70/1124637070.db2.gz GLPCRTAFPYLCLP-KRWDZBQOSA-N 2 1 295.386 3.602 20 0 CHADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccc2ccoc21 ZINC000449035328 1124637074 /nfs/dbraw/zinc/63/70/74/1124637074.db2.gz GLPCRTAFPYLCLP-KRWDZBQOSA-N 2 1 295.386 3.602 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC(C)(C)C)C1 ZINC000449129830 1124652549 /nfs/dbraw/zinc/65/25/49/1124652549.db2.gz DRVBQLVPOUGJNB-GJZGRUSLSA-N 2 1 254.462 3.521 20 0 CHADMP c1ccc2c(c1)CCCC[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000872025584 1124659560 /nfs/dbraw/zinc/65/95/60/1124659560.db2.gz PLRTZADUMWXAQU-UFYCRDLUSA-N 2 1 298.474 3.541 20 0 CHADMP C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000528439864 1124666700 /nfs/dbraw/zinc/66/67/00/1124666700.db2.gz IWYCXAUMWLMRHY-ZBFHGGJFSA-N 2 1 278.484 3.665 20 0 CHADMP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c2ccccc21 ZINC000873273533 1124760698 /nfs/dbraw/zinc/76/06/98/1124760698.db2.gz HYMUESMBOUVFOX-LXTVHRRPSA-N 2 1 296.336 3.618 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1ccc(Cl)c(Cl)c1 ZINC001246097227 1131310189 /nfs/dbraw/zinc/31/01/89/1131310189.db2.gz XNNXTWXFJHGQJS-JBLDHEPKSA-N 2 1 287.234 3.785 20 0 CHADMP CC(C)CC[C@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560456 1124802391 /nfs/dbraw/zinc/80/23/91/1124802391.db2.gz LKHPSYVORDNUNB-QCLGFWRNSA-N 2 1 278.484 3.806 20 0 CHADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561051 1124803585 /nfs/dbraw/zinc/80/35/85/1124803585.db2.gz RSIZCMVTOYCAKK-BFZKSOEOSA-N 2 1 266.473 3.662 20 0 CHADMP C[NH+]1CCC([NH2+]C[C@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000449691978 1124839511 /nfs/dbraw/zinc/83/95/11/1124839511.db2.gz ZHXAHCBAQXROEA-MJGOQNOKSA-N 2 1 286.463 3.644 20 0 CHADMP C[NH+](Cc1cc(C[N@@H+](C)CC2CC2)ccc1F)CC1CC1 ZINC000450267969 1124965847 /nfs/dbraw/zinc/96/58/47/1124965847.db2.gz CGSKADXDYGZXKW-UHFFFAOYSA-N 2 1 290.426 3.509 20 0 CHADMP C[NH+](Cc1ccc(F)c(C[N@H+](C)CC2CC2)c1)CC1CC1 ZINC000450267969 1124965849 /nfs/dbraw/zinc/96/58/49/1124965849.db2.gz CGSKADXDYGZXKW-UHFFFAOYSA-N 2 1 290.426 3.509 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CC/C=C\c2ccccc2)C[C@H]1C ZINC000450472012 1125039558 /nfs/dbraw/zinc/03/95/58/1125039558.db2.gz WYSMHOPNBHNFBO-DOMOKVQJSA-N 2 1 286.463 3.895 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CC/C=C\c2ccccc2)C[C@H]1C ZINC000450472012 1125039567 /nfs/dbraw/zinc/03/95/67/1125039567.db2.gz WYSMHOPNBHNFBO-DOMOKVQJSA-N 2 1 286.463 3.895 20 0 CHADMP C(C1CC2(CCC2)C1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000878286349 1125139078 /nfs/dbraw/zinc/13/90/78/1125139078.db2.gz NKHLBRVLIYQEJW-FUHWJXTLSA-N 2 1 288.479 3.515 20 0 CHADMP C(C1CC2(CCC2)C1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000878286349 1125139083 /nfs/dbraw/zinc/13/90/83/1125139083.db2.gz NKHLBRVLIYQEJW-FUHWJXTLSA-N 2 1 288.479 3.515 20 0 CHADMP C(C1CC2(CCC2)C1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000878286349 1125139086 /nfs/dbraw/zinc/13/90/86/1125139086.db2.gz NKHLBRVLIYQEJW-FUHWJXTLSA-N 2 1 288.479 3.515 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C[C@@H](c2ccccc2)C1 ZINC000392240385 1125141778 /nfs/dbraw/zinc/14/17/78/1125141778.db2.gz JTAOYIHGDJWOST-VDGAXYAQSA-N 2 1 298.474 3.810 20 0 CHADMP CCc1c2ccccc2oc1[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392242979 1125142971 /nfs/dbraw/zinc/14/29/71/1125142971.db2.gz MQRDQYVATWEBPC-AWEZNQCLSA-N 2 1 298.430 3.908 20 0 CHADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001246116183 1131337082 /nfs/dbraw/zinc/33/70/82/1131337082.db2.gz VKYCQWUEVDUCIL-XHSDSOJGSA-N 2 1 272.452 3.519 20 0 CHADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccccc1OC(C)C ZINC001137141049 1125197287 /nfs/dbraw/zinc/19/72/87/1125197287.db2.gz YRYBETMVVJNHNH-UHFFFAOYSA-N 2 1 292.467 3.638 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccccc1OC(C)C ZINC001137141049 1125197293 /nfs/dbraw/zinc/19/72/93/1125197293.db2.gz YRYBETMVVJNHNH-UHFFFAOYSA-N 2 1 292.467 3.638 20 0 CHADMP CSc1ccc([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1F ZINC000532188477 1125238345 /nfs/dbraw/zinc/23/83/45/1125238345.db2.gz CQTFRNYEENKDET-LBPRGKRZSA-N 2 1 298.471 3.786 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCc2ccccc21 ZINC000532191745 1125238375 /nfs/dbraw/zinc/23/83/75/1125238375.db2.gz PWKKVLNKFRHOKB-APWZRJJASA-N 2 1 286.463 3.918 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000532192998 1125238523 /nfs/dbraw/zinc/23/85/23/1125238523.db2.gz CAYZPBVTFVSAGG-XHSDSOJGSA-N 2 1 254.462 3.665 20 0 CHADMP CCCC[N@@H+](C)CCC[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC001168152489 1125274835 /nfs/dbraw/zinc/27/48/35/1125274835.db2.gz VOGGXGXMCGCETB-OAHLLOKOSA-N 2 1 296.886 3.983 20 0 CHADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1sccc1Cl ZINC000883182559 1125374833 /nfs/dbraw/zinc/37/48/33/1125374833.db2.gz FTRPQRJINTWEAP-LBPRGKRZSA-N 2 1 283.828 3.647 20 0 CHADMP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000179119788 1125378550 /nfs/dbraw/zinc/37/85/50/1125378550.db2.gz MROFYXWLIGOUQW-AWEZNQCLSA-N 2 1 297.874 3.898 20 0 CHADMP CC[C@@H](C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000348240020 1125426961 /nfs/dbraw/zinc/42/69/61/1125426961.db2.gz HDZSFNBPEVVVBB-WBVHZDCISA-N 2 1 285.435 3.611 20 0 CHADMP Cc1cccc([C@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)c1 ZINC000124983789 1125444006 /nfs/dbraw/zinc/44/40/06/1125444006.db2.gz RZODRXAVOQBMQC-ZWKOTPCHSA-N 2 1 272.436 3.616 20 0 CHADMP Cc1cccc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)c1 ZINC000124983789 1125444007 /nfs/dbraw/zinc/44/40/07/1125444007.db2.gz RZODRXAVOQBMQC-ZWKOTPCHSA-N 2 1 272.436 3.616 20 0 CHADMP Cc1cccc([C@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)c1 ZINC000124983789 1125444009 /nfs/dbraw/zinc/44/40/09/1125444009.db2.gz RZODRXAVOQBMQC-ZWKOTPCHSA-N 2 1 272.436 3.616 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@]1(C)CCCc2ccccc21 ZINC000348268744 1125455375 /nfs/dbraw/zinc/45/53/75/1125455375.db2.gz TUTQRNLUQQFMLC-LJQANCHMSA-N 2 1 297.446 3.813 20 0 CHADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(-c3ccccc3)o2)C1 ZINC000163304160 1129200685 /nfs/dbraw/zinc/20/06/85/1129200685.db2.gz XCZRATIUXAAFFU-JKSUJKDBSA-N 2 1 298.430 3.939 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(-c3ccccc3)o2)C1 ZINC000163304160 1129200687 /nfs/dbraw/zinc/20/06/87/1129200687.db2.gz XCZRATIUXAAFFU-JKSUJKDBSA-N 2 1 298.430 3.939 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1ccccc1Cl ZINC000164132433 1129205998 /nfs/dbraw/zinc/20/59/98/1129205998.db2.gz NYNYTTYICSMAJP-CJNGLKHVSA-N 2 1 294.870 3.547 20 0 CHADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000166323508 1129223481 /nfs/dbraw/zinc/22/34/81/1129223481.db2.gz DXAVUFMQUADJBK-UHQDVWGKSA-N 2 1 290.426 3.521 20 0 CHADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000166323508 1129223485 /nfs/dbraw/zinc/22/34/85/1129223485.db2.gz DXAVUFMQUADJBK-UHQDVWGKSA-N 2 1 290.426 3.521 20 0 CHADMP CCCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638321084 1129253273 /nfs/dbraw/zinc/25/32/73/1129253273.db2.gz UZDXZGOSFBIMPQ-FUHWJXTLSA-N 2 1 272.436 3.744 20 0 CHADMP CCCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638321084 1129253278 /nfs/dbraw/zinc/25/32/78/1129253278.db2.gz UZDXZGOSFBIMPQ-FUHWJXTLSA-N 2 1 272.436 3.744 20 0 CHADMP Cc1nccn1CCCC[N@H+](C)[C@@H](C)c1ccccc1C ZINC000348077792 1129277474 /nfs/dbraw/zinc/27/74/74/1129277474.db2.gz OSDSGMXEYVUEQO-INIZCTEOSA-N 2 1 285.435 3.973 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](C)c1ccccc1C ZINC000348077792 1129277477 /nfs/dbraw/zinc/27/74/77/1129277477.db2.gz OSDSGMXEYVUEQO-INIZCTEOSA-N 2 1 285.435 3.973 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](C)c1ccccc1C ZINC000348077792 1129277480 /nfs/dbraw/zinc/27/74/80/1129277480.db2.gz OSDSGMXEYVUEQO-INIZCTEOSA-N 2 1 285.435 3.973 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c3ccccc31)CC2 ZINC000643468910 1129442157 /nfs/dbraw/zinc/44/21/57/1129442157.db2.gz JATAYUBVSRGTPN-GUDVDZBRSA-N 2 1 278.399 3.717 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCC[C@H](c2ccccc2)C1)c1c[nH+]ccc1N ZINC000643485039 1129442891 /nfs/dbraw/zinc/44/28/91/1129442891.db2.gz BXTJXZTXHRFVBB-BHYGNILZSA-N 2 1 295.430 3.871 20 0 CHADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000643508337 1129444086 /nfs/dbraw/zinc/44/40/86/1129444086.db2.gz NWHGYDUUJFXOBO-NSHDSACASA-N 2 1 272.795 3.518 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)C2CCC2)o1 ZINC000643547465 1129445072 /nfs/dbraw/zinc/44/50/72/1129445072.db2.gz FVACGBYYTCOMOI-NVXWUHKLSA-N 2 1 288.435 3.694 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cc1F ZINC000643546159 1129445158 /nfs/dbraw/zinc/44/51/58/1129445158.db2.gz JUFCEHIEFCDDNE-CJNGLKHVSA-N 2 1 294.389 3.680 20 0 CHADMP CC1(C)Cc2occc2[C@@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000643546698 1129445252 /nfs/dbraw/zinc/44/52/52/1129445252.db2.gz SUZIZCLOXZITRF-HIFRSBDPSA-N 2 1 288.435 3.557 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2F)CC[N@@H+]1Cc1ccccc1 ZINC000645219885 1129492699 /nfs/dbraw/zinc/49/26/99/1129492699.db2.gz KLGDKVHTIXYVPM-SPUZQDLCSA-N 2 1 290.426 3.520 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2F)CC[N@H+]1Cc1ccccc1 ZINC000645219885 1129492701 /nfs/dbraw/zinc/49/27/01/1129492701.db2.gz KLGDKVHTIXYVPM-SPUZQDLCSA-N 2 1 290.426 3.520 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]CCC2CCCC2)C[C@@H]1c1ccccc1 ZINC000645384106 1129496140 /nfs/dbraw/zinc/49/61/40/1129496140.db2.gz JUWQDGYPJCGHMO-RTBURBONSA-N 2 1 286.463 3.992 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CCC2CCCC2)C[C@@H]1c1ccccc1 ZINC000645384106 1129496143 /nfs/dbraw/zinc/49/61/43/1129496143.db2.gz JUWQDGYPJCGHMO-RTBURBONSA-N 2 1 286.463 3.992 20 0 CHADMP C[N@H+](CC1=CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000645828233 1129508011 /nfs/dbraw/zinc/50/80/11/1129508011.db2.gz GTGSOORFNJUKGE-UHFFFAOYSA-N 2 1 284.447 3.693 20 0 CHADMP C[N@@H+](CC1=CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000645828233 1129508014 /nfs/dbraw/zinc/50/80/14/1129508014.db2.gz GTGSOORFNJUKGE-UHFFFAOYSA-N 2 1 284.447 3.693 20 0 CHADMP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647180531 1129554967 /nfs/dbraw/zinc/55/49/67/1129554967.db2.gz GBOXCZZWKDNIJO-NEWSRXKRSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647180531 1129554968 /nfs/dbraw/zinc/55/49/68/1129554968.db2.gz GBOXCZZWKDNIJO-NEWSRXKRSA-N 2 1 298.474 3.962 20 0 CHADMP CCCC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647343245 1129570931 /nfs/dbraw/zinc/57/09/31/1129570931.db2.gz JMZVEAJRCQEZMD-NXHRZFHOSA-N 2 1 274.452 3.500 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2(c3cccc(Cl)c3)CCC2)CC[N@@H+]1C ZINC000647349576 1129573617 /nfs/dbraw/zinc/57/36/17/1129573617.db2.gz YKTKJAHZVWCSQF-BBRMVZONSA-N 2 1 292.854 3.792 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2(c3cccc(Cl)c3)CCC2)CC[N@H+]1C ZINC000647349576 1129573620 /nfs/dbraw/zinc/57/36/20/1129573620.db2.gz YKTKJAHZVWCSQF-BBRMVZONSA-N 2 1 292.854 3.792 20 0 CHADMP C[C@H](C[N@@H+](C1CC1)C1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000647482472 1129578341 /nfs/dbraw/zinc/57/83/41/1129578341.db2.gz HTSFXLPSAFZMKH-CYBMUJFWSA-N 2 1 292.854 3.660 20 0 CHADMP C[C@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647889295 1129587198 /nfs/dbraw/zinc/58/71/98/1129587198.db2.gz CLFWAYGDPDEHKV-IAGOWNOFSA-N 2 1 294.442 3.956 20 0 CHADMP C[N@@H+](CCC[NH2+]C1CCCCC1)C1CCCCC1 ZINC000037860321 1129609170 /nfs/dbraw/zinc/60/91/70/1129609170.db2.gz LXLAJKGZMJNCLN-UHFFFAOYSA-N 2 1 252.446 3.563 20 0 CHADMP CC1(C)CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000380907218 1129641317 /nfs/dbraw/zinc/64/13/17/1129641317.db2.gz HKZWVYFQCIPZBO-ROUUACIJSA-N 2 1 286.463 3.677 20 0 CHADMP CC[NH+](CC)C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC001137627932 1131387726 /nfs/dbraw/zinc/38/77/26/1131387726.db2.gz GGMOWXULADDLEF-UHFFFAOYSA-N 2 1 297.446 3.541 20 0 CHADMP CC(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001169060503 1129693698 /nfs/dbraw/zinc/69/36/98/1129693698.db2.gz YGIZAFSVMJAVSH-RBUKOAKNSA-N 2 1 288.479 3.718 20 0 CHADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc2c(c1)CCCC2 ZINC001169096756 1129696197 /nfs/dbraw/zinc/69/61/97/1129696197.db2.gz YDUBVAJDMWOHFF-DILOTOHQSA-N 2 1 298.474 3.841 20 0 CHADMP CCC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001169098873 1129696975 /nfs/dbraw/zinc/69/69/75/1129696975.db2.gz LXDGQVIVYCZIGQ-MHORFTMASA-N 2 1 272.436 3.743 20 0 CHADMP CCC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1F ZINC001169102326 1129697699 /nfs/dbraw/zinc/69/76/99/1129697699.db2.gz ZTTGKRFVMXUPTJ-BASYENTBSA-N 2 1 290.426 3.882 20 0 CHADMP CCC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1F ZINC001169102326 1129697702 /nfs/dbraw/zinc/69/77/02/1129697702.db2.gz ZTTGKRFVMXUPTJ-BASYENTBSA-N 2 1 290.426 3.882 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NCc1ccc(Cl)cc1Cl)C2 ZINC001169089353 1129699383 /nfs/dbraw/zinc/69/93/83/1129699383.db2.gz CBSIYTFDNRTCKM-ZSOGYDGISA-N 2 1 299.245 3.708 20 0 CHADMP CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(C)cc(C)c1 ZINC001169118382 1129699948 /nfs/dbraw/zinc/69/99/48/1129699948.db2.gz IVHOSJRHCAUXAW-RDGPPVDQSA-N 2 1 286.463 3.969 20 0 CHADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C)c1C ZINC001169119809 1129700001 /nfs/dbraw/zinc/70/00/01/1129700001.db2.gz WMBNYAGDNSPMBU-SFNKJDCFSA-N 2 1 286.463 3.969 20 0 CHADMP CC(C)C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001169090660 1129700280 /nfs/dbraw/zinc/70/02/80/1129700280.db2.gz KEBYDGAQFKFIGX-OKYOBFRVSA-N 2 1 286.463 3.989 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1ccccc1)C(C)(C)C)C2 ZINC001169091435 1129700842 /nfs/dbraw/zinc/70/08/42/1129700842.db2.gz QZRFTRJSEVQFEP-MHORFTMASA-N 2 1 286.463 3.989 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(Cc3ccccc3)CC1)C2 ZINC001169124961 1129701484 /nfs/dbraw/zinc/70/14/84/1129701484.db2.gz USVXZINHDNZBQI-ACDBMABISA-N 2 1 298.474 3.566 20 0 CHADMP Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169107408 1129703281 /nfs/dbraw/zinc/70/32/81/1129703281.db2.gz GDGMWPVBMOEKIE-LUKYLMHMSA-N 2 1 272.436 3.579 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC001169108701 1129703379 /nfs/dbraw/zinc/70/33/79/1129703379.db2.gz VSGGDTCTRYRHBB-HNKHHVNMSA-N 2 1 292.854 3.924 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1csc3ccccc13)C2 ZINC001169106871 1129703687 /nfs/dbraw/zinc/70/36/87/1129703687.db2.gz APPMBXBTRHFCBA-QKDCVEJESA-N 2 1 286.444 3.616 20 0 CHADMP CC1(C)C[C@@H](Nc2ccc(C3CC3)c[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001169150382 1129705550 /nfs/dbraw/zinc/70/55/50/1129705550.db2.gz CDAXNJKDEMKHEF-CRAIPNDOSA-N 2 1 287.451 3.915 20 0 CHADMP CC[C@@H]1c2ccccc2CC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153179 1129705707 /nfs/dbraw/zinc/70/57/07/1129705707.db2.gz HHLYFQCMHBCFHU-VUHPKUFZSA-N 2 1 284.447 3.621 20 0 CHADMP CC[C@@H]1c2ccccc2CC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169153179 1129705709 /nfs/dbraw/zinc/70/57/09/1129705709.db2.gz HHLYFQCMHBCFHU-VUHPKUFZSA-N 2 1 284.447 3.621 20 0 CHADMP CC[C@@H]1c2ccccc2CC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169153179 1129705712 /nfs/dbraw/zinc/70/57/12/1129705712.db2.gz HHLYFQCMHBCFHU-VUHPKUFZSA-N 2 1 284.447 3.621 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](CC2CC2)c2cccc(F)c2)CC1 ZINC001169241202 1129712118 /nfs/dbraw/zinc/71/21/18/1129712118.db2.gz JQYOEBWTMCIQMC-SFHVURJKSA-N 2 1 290.426 3.741 20 0 CHADMP CC[C@]1(C)CCC[C@H]1[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000651705934 1129745446 /nfs/dbraw/zinc/74/54/46/1129745446.db2.gz NGARFHVRZSPZMU-BRWVUGGUSA-N 2 1 266.473 3.665 20 0 CHADMP C[NH+](C)CCC(C)(C)Nc1[nH+]ccc2cc(F)ccc21 ZINC001169711344 1129750474 /nfs/dbraw/zinc/75/04/74/1129750474.db2.gz JXQPFTYUPWUWNO-UHFFFAOYSA-N 2 1 275.371 3.516 20 0 CHADMP CC(C)(CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC000653586882 1129786309 /nfs/dbraw/zinc/78/63/09/1129786309.db2.gz GJUZOXTZXFLALH-YJBOKZPZSA-N 2 1 290.495 3.761 20 0 CHADMP CC(C)(CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CC1 ZINC000653586882 1129786311 /nfs/dbraw/zinc/78/63/11/1129786311.db2.gz GJUZOXTZXFLALH-YJBOKZPZSA-N 2 1 290.495 3.761 20 0 CHADMP CC(C)(CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CC1 ZINC000653586882 1129786314 /nfs/dbraw/zinc/78/63/14/1129786314.db2.gz GJUZOXTZXFLALH-YJBOKZPZSA-N 2 1 290.495 3.761 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000767355794 1129788425 /nfs/dbraw/zinc/78/84/25/1129788425.db2.gz VOUFPRIRDMQFRE-OAHLLOKOSA-N 2 1 283.419 3.591 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000767355794 1129788428 /nfs/dbraw/zinc/78/84/28/1129788428.db2.gz VOUFPRIRDMQFRE-OAHLLOKOSA-N 2 1 283.419 3.591 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cncc3ccccc32)C[C@H]1C ZINC000769470316 1129912732 /nfs/dbraw/zinc/91/27/32/1129912732.db2.gz LJYVDOYWCSOSLL-CRAIPNDOSA-N 2 1 297.446 3.539 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cncc3ccccc32)C[C@H]1C ZINC000769470316 1129912734 /nfs/dbraw/zinc/91/27/34/1129912734.db2.gz LJYVDOYWCSOSLL-CRAIPNDOSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cncc3ccccc32)C[C@H]1C ZINC000769470316 1129912737 /nfs/dbraw/zinc/91/27/37/1129912737.db2.gz LJYVDOYWCSOSLL-CRAIPNDOSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cncc3ccccc32)C[C@H]1C ZINC000769470316 1129912738 /nfs/dbraw/zinc/91/27/38/1129912738.db2.gz LJYVDOYWCSOSLL-CRAIPNDOSA-N 2 1 297.446 3.539 20 0 CHADMP CCCC[C@H](CC(C)C)[NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F ZINC001246221869 1131409396 /nfs/dbraw/zinc/40/93/96/1131409396.db2.gz OVAKQOFQPBOLIP-HUUCEWRRSA-N 2 1 290.442 3.816 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903074616 1130108530 /nfs/dbraw/zinc/10/85/30/1130108530.db2.gz ODNBJYZWSWLFCM-DJXYKJKZSA-N 2 1 284.447 3.803 20 0 CHADMP C[C@H]1CCC[C@H](C)C1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903078876 1130109623 /nfs/dbraw/zinc/10/96/23/1130109623.db2.gz JSMQKLUIPYJDPB-VUZHLFFPSA-N 2 1 276.468 3.559 20 0 CHADMP CC(C)CCC[C@H](C)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001170063567 1130113235 /nfs/dbraw/zinc/11/32/35/1130113235.db2.gz FOLXFVQCENFHTH-INIZCTEOSA-N 3 1 299.547 3.677 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CCC2(c3ccccc3)CC2)CC1(C)C ZINC000903171327 1130124175 /nfs/dbraw/zinc/12/41/75/1130124175.db2.gz VTSJCDNQKURUNJ-QGZVFWFLSA-N 2 1 286.463 3.571 20 0 CHADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1CC1(C)C ZINC000903190251 1130126670 /nfs/dbraw/zinc/12/66/70/1130126670.db2.gz RABMODWBKRCTFA-DAQHESOFSA-N 2 1 276.468 3.559 20 0 CHADMP CC(C)CCC[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001170074316 1130153778 /nfs/dbraw/zinc/15/37/78/1130153778.db2.gz RDLDLLNBURCQLS-IKGGRYGDSA-N 2 1 268.489 3.910 20 0 CHADMP CC(C)CCC[C@@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC001170082232 1130175346 /nfs/dbraw/zinc/17/53/46/1130175346.db2.gz KLZVEKMYHWQFEZ-MRXNPFEDSA-N 2 1 254.462 3.619 20 0 CHADMP C[C@H](c1cc2ccccc2o1)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903430158 1130176526 /nfs/dbraw/zinc/17/65/26/1130176526.db2.gz OSWORQXCQMIAKS-NFAWXSAZSA-N 2 1 272.392 3.553 20 0 CHADMP C[C@H]1CC[C@@H]([NH2+]C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001170120476 1130278692 /nfs/dbraw/zinc/27/86/92/1130278692.db2.gz HSZKNJVTTXTNFU-FUHWJXTLSA-N 2 1 286.463 3.819 20 0 CHADMP Cc1ccccc1[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000677241699 1130298259 /nfs/dbraw/zinc/29/82/59/1130298259.db2.gz UBCVYNHCWBTWGB-JENIJYKNSA-N 2 1 286.463 3.909 20 0 CHADMP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccnc(Cl)c1 ZINC000790748368 1130328373 /nfs/dbraw/zinc/32/83/73/1130328373.db2.gz MZMKWHJZHYVBSY-CYBMUJFWSA-N 2 1 295.858 3.508 20 0 CHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C1CCCC1 ZINC000678139838 1130356513 /nfs/dbraw/zinc/35/65/13/1130356513.db2.gz AJSQCPBVRDUYCA-UHFFFAOYSA-N 2 1 260.425 3.513 20 0 CHADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001170156495 1130383097 /nfs/dbraw/zinc/38/30/97/1130383097.db2.gz GIWFXTFCPLQTAE-LMCOJAPRSA-N 2 1 298.474 3.629 20 0 CHADMP C[C@@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001170156495 1130383101 /nfs/dbraw/zinc/38/31/01/1130383101.db2.gz GIWFXTFCPLQTAE-LMCOJAPRSA-N 2 1 298.474 3.629 20 0 CHADMP C[C@@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001170156495 1130383105 /nfs/dbraw/zinc/38/31/05/1130383105.db2.gz GIWFXTFCPLQTAE-LMCOJAPRSA-N 2 1 298.474 3.629 20 0 CHADMP CC(C)c1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000678580363 1130430963 /nfs/dbraw/zinc/43/09/63/1130430963.db2.gz AAERCHQOVLGVDY-OALUTQOASA-N 2 1 286.463 3.569 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000678887057 1130467832 /nfs/dbraw/zinc/46/78/32/1130467832.db2.gz UYMQQBNTOHJAAU-KXBFYZLASA-N 2 1 297.446 3.959 20 0 CHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(C=C2CC[NH2+]CC2)nc1 ZINC001240874917 1130499059 /nfs/dbraw/zinc/49/90/59/1130499059.db2.gz FQRSITHRGUWSLW-IBGZPJMESA-N 2 1 299.462 3.785 20 0 CHADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(-c3ccc4ccccc4c3)cn12 ZINC001240909826 1130511557 /nfs/dbraw/zinc/51/15/57/1130511557.db2.gz PUDLSMOCRJNTPS-UHFFFAOYSA-N 2 1 299.377 3.841 20 0 CHADMP CC(C)[N@@H+](Cc1ccc(Cl)s1)[C@H]1CCC[NH2+]CC1 ZINC001206581522 1130550088 /nfs/dbraw/zinc/55/00/88/1130550088.db2.gz JWKPALQKZLPKDL-LBPRGKRZSA-N 2 1 286.872 3.754 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234995114 1130699696 /nfs/dbraw/zinc/69/96/96/1130699696.db2.gz XROLXIRRVAULSX-FQEVSTJZSA-N 2 1 294.442 3.724 20 0 CHADMP C[C@H](CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)CC(C)(C)C ZINC001234991469 1130700400 /nfs/dbraw/zinc/70/04/00/1130700400.db2.gz HUCMWJKKJBRRKL-NVXWUHKLSA-N 2 1 266.473 3.524 20 0 CHADMP C[C@@H](C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)c1cccc2ccccc21 ZINC001235018930 1130702171 /nfs/dbraw/zinc/70/21/71/1130702171.db2.gz YGKVITPIYKCXHC-RIFZZMRRSA-N 2 1 294.442 3.627 20 0 CHADMP C[C@@H](C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)c1cccc2ccccc21 ZINC001235018930 1130702175 /nfs/dbraw/zinc/70/21/75/1130702175.db2.gz YGKVITPIYKCXHC-RIFZZMRRSA-N 2 1 294.442 3.627 20 0 CHADMP CC1=CC[C@@H](CC[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)C1(C)C ZINC001235038288 1130704780 /nfs/dbraw/zinc/70/47/80/1130704780.db2.gz FLDNBGHMTVBXSH-PKOBYXMFSA-N 2 1 290.495 3.977 20 0 CHADMP Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235047226 1130707306 /nfs/dbraw/zinc/70/73/06/1130707306.db2.gz UAWPTKBMSZHTKA-QGZVFWFLSA-N 2 1 292.854 3.757 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235047226 1130707310 /nfs/dbraw/zinc/70/73/10/1130707310.db2.gz UAWPTKBMSZHTKA-QGZVFWFLSA-N 2 1 292.854 3.757 20 0 CHADMP CC(C)=CCCC1=CC[C@@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001235073465 1130707675 /nfs/dbraw/zinc/70/76/75/1130707675.db2.gz QRJIGPPPZLRPOK-GUDVDZBRSA-N 2 1 288.479 3.896 20 0 CHADMP CC(C)=CCCC1=CC[C@@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001235073465 1130707678 /nfs/dbraw/zinc/70/76/78/1130707678.db2.gz QRJIGPPPZLRPOK-GUDVDZBRSA-N 2 1 288.479 3.896 20 0 CHADMP c1cc(-c2cccc(C[N@@H+]3CCC34CC[NH2+]CC4)c2)cs1 ZINC001235102057 1130709983 /nfs/dbraw/zinc/70/99/83/1130709983.db2.gz KVNWTVKPSATADQ-UHFFFAOYSA-N 2 1 298.455 3.743 20 0 CHADMP c1cc(-c2cccc(C[N@H+]3CCC34CC[NH2+]CC4)c2)cs1 ZINC001235102057 1130709986 /nfs/dbraw/zinc/70/99/86/1130709986.db2.gz KVNWTVKPSATADQ-UHFFFAOYSA-N 2 1 298.455 3.743 20 0 CHADMP c1ccc(-c2ccc(C[N@H+]3CCC34CC[NH2+]CC4)cc2)cc1 ZINC001235103166 1130710141 /nfs/dbraw/zinc/71/01/41/1130710141.db2.gz SWPGOJNFXHURJA-UHFFFAOYSA-N 2 1 292.426 3.682 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235093918 1130710537 /nfs/dbraw/zinc/71/05/37/1130710537.db2.gz VLSDKIWPNWLUHK-ARJAWSKDSA-N 2 1 278.484 3.979 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001235092200 1130710921 /nfs/dbraw/zinc/71/09/21/1130710921.db2.gz HIYBPVZSKZPBHW-UHFFFAOYSA-N 2 1 292.854 3.532 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235125206 1130712999 /nfs/dbraw/zinc/71/29/99/1130712999.db2.gz NQZXDADKKWDSBL-QZTJIDSGSA-N 2 1 278.484 3.977 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235125206 1130713001 /nfs/dbraw/zinc/71/30/01/1130713001.db2.gz NQZXDADKKWDSBL-QZTJIDSGSA-N 2 1 278.484 3.977 20 0 CHADMP Cc1cc(CN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)o1 ZINC000781417446 1130716215 /nfs/dbraw/zinc/71/62/15/1130716215.db2.gz VFJPGZBQMIGZFB-ZBFHGGJFSA-N 2 1 290.451 3.639 20 0 CHADMP Cc1cc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)o1 ZINC000781417446 1130716221 /nfs/dbraw/zinc/71/62/21/1130716221.db2.gz VFJPGZBQMIGZFB-ZBFHGGJFSA-N 2 1 290.451 3.639 20 0 CHADMP Cc1cc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)o1 ZINC000781417446 1130716223 /nfs/dbraw/zinc/71/62/23/1130716223.db2.gz VFJPGZBQMIGZFB-ZBFHGGJFSA-N 2 1 290.451 3.639 20 0 CHADMP c1cc2c(cccc2C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)o1 ZINC001235158669 1130716280 /nfs/dbraw/zinc/71/62/80/1130716280.db2.gz VFSZICQJXGSGGQ-GOSISDBHSA-N 2 1 298.430 3.787 20 0 CHADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCCC[C@]23CCC[NH2+]C3)CC1 ZINC001235171269 1130717000 /nfs/dbraw/zinc/71/70/00/1130717000.db2.gz IHKLNJCNUVTFIK-OKZBNKHCSA-N 2 1 276.468 3.587 20 0 CHADMP c1cc(C2CC2)ccc1C[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235177484 1130719402 /nfs/dbraw/zinc/71/94/02/1130719402.db2.gz JXIGFHZAUCLTDN-LJQANCHMSA-N 2 1 284.447 3.672 20 0 CHADMP c1cc(C2CC2)ccc1C[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235177484 1130719406 /nfs/dbraw/zinc/71/94/06/1130719406.db2.gz JXIGFHZAUCLTDN-LJQANCHMSA-N 2 1 284.447 3.672 20 0 CHADMP c1cc(C2CC2)ccc1C[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235177483 1130719443 /nfs/dbraw/zinc/71/94/43/1130719443.db2.gz JXIGFHZAUCLTDN-IBGZPJMESA-N 2 1 284.447 3.672 20 0 CHADMP c1cc(C2CC2)ccc1C[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235177483 1130719447 /nfs/dbraw/zinc/71/94/47/1130719447.db2.gz JXIGFHZAUCLTDN-IBGZPJMESA-N 2 1 284.447 3.672 20 0 CHADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1-c1ccccc1)C2 ZINC001235244777 1130726920 /nfs/dbraw/zinc/72/69/20/1130726920.db2.gz KBPXJQVXYDXEPO-UYAOXDASSA-N 2 1 292.426 3.667 20 0 CHADMP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C2CCCCC2)cc1 ZINC001235256293 1130728991 /nfs/dbraw/zinc/72/89/91/1130728991.db2.gz RKXDHRNLJTXXCD-FHWLQOOXSA-N 2 1 284.447 3.656 20 0 CHADMP CC(C)CCC[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235380161 1130737496 /nfs/dbraw/zinc/73/74/96/1130737496.db2.gz STYQNXMSIDCMBQ-MOPGFXCFSA-N 2 1 286.463 3.502 20 0 CHADMP Cc1ccc(C)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235428602 1130742196 /nfs/dbraw/zinc/74/21/96/1130742196.db2.gz VKXDBOIIQPQWOY-ZWKOTPCHSA-N 2 1 286.463 3.515 20 0 CHADMP c1cc2c(cccc2C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC001235429673 1130743602 /nfs/dbraw/zinc/74/36/02/1130743602.db2.gz UXMDVSCZFAZCTM-JKSUJKDBSA-N 2 1 298.430 3.644 20 0 CHADMP Cc1ccccc1[C@H]1CCC[N@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001235443396 1130745873 /nfs/dbraw/zinc/74/58/73/1130745873.db2.gz NDWXRFBUFGTUSU-LJQANCHMSA-N 2 1 298.474 3.912 20 0 CHADMP Cc1csc2sc(C[N@H+](C)C3CC[NH2+]CC3)c(C)c12 ZINC001235466670 1130747354 /nfs/dbraw/zinc/74/73/54/1130747354.db2.gz RWRNAVFREBYSKF-UHFFFAOYSA-N 2 1 294.489 3.763 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001235672652 1130763888 /nfs/dbraw/zinc/76/38/88/1130763888.db2.gz DZVQKTNOUSIODZ-QGZUEGPWSA-N 2 1 252.446 3.574 20 0 CHADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)cc1 ZINC001235673563 1130764457 /nfs/dbraw/zinc/76/44/57/1130764457.db2.gz OAUDGASKLTYJAB-FQEVSTJZSA-N 2 1 294.442 3.600 20 0 CHADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC001235672847 1130765005 /nfs/dbraw/zinc/76/50/05/1130765005.db2.gz IOGXCQBDFKJLAE-SJLPKXTDSA-N 2 1 288.479 3.659 20 0 CHADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(C3CCCCC3)cc2)C1 ZINC001235676183 1130766876 /nfs/dbraw/zinc/76/68/76/1130766876.db2.gz NQKUJECLXFQWCF-KRWDZBQOSA-N 2 1 286.463 3.905 20 0 CHADMP Clc1ccccc1[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001235694073 1130770014 /nfs/dbraw/zinc/77/00/14/1130770014.db2.gz LBMCECMSGAJSEB-PBHICJAKSA-N 2 1 292.854 3.867 20 0 CHADMP CC/C=C\CCCCC[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235715213 1130772199 /nfs/dbraw/zinc/77/21/99/1130772199.db2.gz SISMVXZNKNBJCD-PLNGDYQASA-N 2 1 266.473 3.835 20 0 CHADMP CC[N@@H+](Cc1cccc(-c2ccccc2)c1)C1CC[NH2+]CC1 ZINC001235759899 1130776635 /nfs/dbraw/zinc/77/66/35/1130776635.db2.gz FALFTIJCUWTBPG-UHFFFAOYSA-N 2 1 294.442 3.928 20 0 CHADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(/C=C/c3ccccc3)cc2)C1 ZINC001235749053 1130777063 /nfs/dbraw/zinc/77/70/63/1130777063.db2.gz GDWYNXJGVQNXJA-ROUKRRSUSA-N 2 1 292.426 3.638 20 0 CHADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc3sc4ccccc4c3c2)C1 ZINC001235751389 1130777197 /nfs/dbraw/zinc/77/71/97/1130777197.db2.gz XRYQGTJITLUEPS-CQSZACIVSA-N 2 1 296.439 3.835 20 0 CHADMP Cc1cccc(CC[N@@H+](C)CCC[NH2+]C2CCCCC2)c1 ZINC001235839496 1130785086 /nfs/dbraw/zinc/78/50/86/1130785086.db2.gz UBZFAYWXQXRSIO-UHFFFAOYSA-N 2 1 288.479 3.782 20 0 CHADMP Cc1c(C[N@H+]2C[C@@H]([NH3+])CC[C@H]2C)cccc1-c1ccccc1 ZINC001235891740 1130795424 /nfs/dbraw/zinc/79/54/24/1130795424.db2.gz IQJMHKCVFVLDFS-BEFAXECRSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1c(C[N@@H+]2C[C@@H]([NH3+])CC[C@H]2C)cccc1-c1ccccc1 ZINC001235891740 1130795430 /nfs/dbraw/zinc/79/54/30/1130795430.db2.gz IQJMHKCVFVLDFS-BEFAXECRSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+]1C[C@@H]([NH3+])CC[C@H]1C ZINC001235907722 1130803928 /nfs/dbraw/zinc/80/39/28/1130803928.db2.gz SRQNAMQGILIHSO-YPMHNXCESA-N 2 1 274.433 3.521 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+]1C[C@@H]([NH3+])CC[C@H]1C ZINC001235907722 1130803933 /nfs/dbraw/zinc/80/39/33/1130803933.db2.gz SRQNAMQGILIHSO-YPMHNXCESA-N 2 1 274.433 3.521 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@H]([NH3+])CC[C@@H]3C)cc2)cc1 ZINC001235909041 1130804735 /nfs/dbraw/zinc/80/47/35/1130804735.db2.gz YUSLWVCFDCSTLJ-OXJNMPFZSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H]([NH3+])CC[C@@H]3C)cc2)cc1 ZINC001235909041 1130804737 /nfs/dbraw/zinc/80/47/37/1130804737.db2.gz YUSLWVCFDCSTLJ-OXJNMPFZSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@@H]([NH3+])CC[C@H]3C)cc2)cc1 ZINC001235909043 1130805342 /nfs/dbraw/zinc/80/53/42/1130805342.db2.gz YUSLWVCFDCSTLJ-UZLBHIALSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@@H]([NH3+])CC[C@H]3C)cc2)cc1 ZINC001235909043 1130805345 /nfs/dbraw/zinc/80/53/45/1130805345.db2.gz YUSLWVCFDCSTLJ-UZLBHIALSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1ccc(-c2cccc(C[N@H+]3CCC[C@H]3CC[NH3+])c2)cc1 ZINC001235925852 1130805570 /nfs/dbraw/zinc/80/55/70/1130805570.db2.gz PTUSHKKKJJNIIJ-FQEVSTJZSA-N 2 1 294.442 3.975 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235925508 1130805910 /nfs/dbraw/zinc/80/59/10/1130805910.db2.gz RDTBCMPOCBHASA-QGZUEGPWSA-N 2 1 252.446 3.716 20 0 CHADMP C[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000783243334 1130806088 /nfs/dbraw/zinc/80/60/88/1130806088.db2.gz MBCLUMIMOZUGDJ-DNVCBOLYSA-N 2 1 298.430 3.800 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3CCC[C@H]3CC[NH3+])cc2)c1 ZINC001235926309 1130806061 /nfs/dbraw/zinc/80/60/61/1130806061.db2.gz XIWGGFMOTSJVCD-FQEVSTJZSA-N 2 1 294.442 3.975 20 0 CHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C)CC1 ZINC000783247671 1130806404 /nfs/dbraw/zinc/80/64/04/1130806404.db2.gz YUBJYFWRTBKTAQ-IIDMSEBBSA-N 2 1 272.436 3.600 20 0 CHADMP CC(C)[N@H+](CC[NH3+])Cc1ccccc1-c1ccccc1 ZINC001235948077 1130812656 /nfs/dbraw/zinc/81/26/56/1130812656.db2.gz SBRSGVJCSPGMHB-UHFFFAOYSA-N 2 1 268.404 3.523 20 0 CHADMP CC(C)[N@@H+](CC[NH3+])Cc1ccccc1-c1ccccc1 ZINC001235948077 1130812659 /nfs/dbraw/zinc/81/26/59/1130812659.db2.gz SBRSGVJCSPGMHB-UHFFFAOYSA-N 2 1 268.404 3.523 20 0 CHADMP C[N@@H+](C/C=C/c1ccccc1)CCC[NH2+]C1CCCCC1 ZINC001235963340 1130818791 /nfs/dbraw/zinc/81/87/91/1130818791.db2.gz TXAUPKGKHAYCIP-XYOKQWHBSA-N 2 1 286.463 3.944 20 0 CHADMP C[N@H+](C/C=C/c1ccccc1)CCC[NH2+]C1CCCCC1 ZINC001235963340 1130818797 /nfs/dbraw/zinc/81/87/97/1130818797.db2.gz TXAUPKGKHAYCIP-XYOKQWHBSA-N 2 1 286.463 3.944 20 0 CHADMP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@H+]1CCC12CC([NH3+])(C1)C2 ZINC001235962209 1130819383 /nfs/dbraw/zinc/81/93/83/1130819383.db2.gz MRANZFBWEXNNSX-MRLCAUJQSA-N 2 1 294.483 3.521 20 0 CHADMP CC[N@H+](Cc1cccc2c(F)cccc12)[C@H]1CCC[NH2+]C1 ZINC001236008830 1130831416 /nfs/dbraw/zinc/83/14/16/1130831416.db2.gz JAHWHRPGTFCNPD-HNNXBMFYSA-N 2 1 286.394 3.553 20 0 CHADMP CC[N@@H+](Cc1cccc2c(F)cccc12)[C@H]1CCC[NH2+]C1 ZINC001236008830 1130831424 /nfs/dbraw/zinc/83/14/24/1130831424.db2.gz JAHWHRPGTFCNPD-HNNXBMFYSA-N 2 1 286.394 3.553 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC001236009372 1130831857 /nfs/dbraw/zinc/83/18/57/1130831857.db2.gz SMCCAUSIORCKMZ-KRWDZBQOSA-N 2 1 292.442 3.599 20 0 CHADMP Cc1c(C[N@H+]2C[C@H]([NH3+])C[C@H](C)C2)cccc1-c1ccccc1 ZINC001236052436 1130840877 /nfs/dbraw/zinc/84/08/77/1130840877.db2.gz QVVREKPCLJIMHY-HNAYVOBHSA-N 2 1 294.442 3.831 20 0 CHADMP Cc1c(C[N@@H+]2C[C@H]([NH3+])C[C@H](C)C2)cccc1-c1ccccc1 ZINC001236052436 1130840885 /nfs/dbraw/zinc/84/08/85/1130840885.db2.gz QVVREKPCLJIMHY-HNAYVOBHSA-N 2 1 294.442 3.831 20 0 CHADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2sc(Cl)c3ccccc32)C1 ZINC001236069296 1130847594 /nfs/dbraw/zinc/84/75/94/1130847594.db2.gz ZKOGSFPJLXNPHJ-NSHDSACASA-N 2 1 294.851 3.596 20 0 CHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2sc(Cl)c3ccccc32)C1 ZINC001236069296 1130847599 /nfs/dbraw/zinc/84/75/99/1130847599.db2.gz ZKOGSFPJLXNPHJ-NSHDSACASA-N 2 1 294.851 3.596 20 0 CHADMP C[C@@H]1C[N@H+](Cc2cccc3c4ccccc4sc32)C[C@@H]1[NH3+] ZINC001236094359 1130857144 /nfs/dbraw/zinc/85/71/44/1130857144.db2.gz SFUWBJAOJSVJNZ-WBMJQRKESA-N 2 1 296.439 3.834 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2cccc3c4ccccc4sc32)C[C@@H]1[NH3+] ZINC001236094359 1130857149 /nfs/dbraw/zinc/85/71/49/1130857149.db2.gz SFUWBJAOJSVJNZ-WBMJQRKESA-N 2 1 296.439 3.834 20 0 CHADMP CSc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001236109675 1130866338 /nfs/dbraw/zinc/86/63/38/1130866338.db2.gz VNVLVDJVOLGJEG-ZBFHGGJFSA-N 2 1 290.476 3.545 20 0 CHADMP C[N@@H+](CCCC[NH3+])Cc1c(Cl)cccc1C(F)(F)F ZINC001236141489 1130873747 /nfs/dbraw/zinc/87/37/47/1130873747.db2.gz HIZIWBGIYNWIQX-UHFFFAOYSA-N 2 1 294.748 3.530 20 0 CHADMP C[N@@H+](CCCC[NH3+])Cc1ccc(F)c(-c2ccccc2)c1 ZINC001236140934 1130874061 /nfs/dbraw/zinc/87/40/61/1130874061.db2.gz AZMUFBRGZFDCPP-UHFFFAOYSA-N 2 1 286.394 3.663 20 0 CHADMP CC(C)c1ccc(C[C@H](C)C[N@@H+](C)CCCC[NH3+])cc1 ZINC001236144127 1130875499 /nfs/dbraw/zinc/87/54/99/1130875499.db2.gz XNRXPAIRQNOWRT-INIZCTEOSA-N 2 1 276.468 3.659 20 0 CHADMP Clc1cccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)c1 ZINC001236152188 1130877417 /nfs/dbraw/zinc/87/74/17/1130877417.db2.gz OWSRHTQXDHXPAV-YOEHRIQHSA-N 2 1 292.854 3.867 20 0 CHADMP CCCc1ccc(C[N@H+](CCC)C2CC[NH2+]CC2)s1 ZINC001236181712 1130880136 /nfs/dbraw/zinc/88/01/36/1130880136.db2.gz BREGJQSDUZZVLB-UHFFFAOYSA-N 2 1 280.481 3.665 20 0 CHADMP CCC[N@@H+](Cc1cc(C)cc(Cl)c1)C1CC[NH2+]CC1 ZINC001236185065 1130880277 /nfs/dbraw/zinc/88/02/77/1130880277.db2.gz VGCILKAMCDZHOX-UHFFFAOYSA-N 2 1 280.843 3.612 20 0 CHADMP CCC[N@@H+](C[C@H](C)CCC=C(C)C)C1CC[NH2+]CC1 ZINC001236181148 1130880311 /nfs/dbraw/zinc/88/03/11/1130880311.db2.gz UDVACTMJQZHRLQ-MRXNPFEDSA-N 2 1 266.473 3.833 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]1c1c[nH]c2ccccc12 ZINC001236194184 1130884921 /nfs/dbraw/zinc/88/49/21/1130884921.db2.gz URELMRHXNQCPGW-SFHVURJKSA-N 2 1 285.435 3.824 20 0 CHADMP C[N@H+](Cc1cccc2c(F)cccc12)[C@]1(C)CCC[NH2+]C1 ZINC001236207018 1130885810 /nfs/dbraw/zinc/88/58/10/1130885810.db2.gz NAVUHIHYFMMBHE-GOSISDBHSA-N 2 1 286.394 3.553 20 0 CHADMP C[N@@H+](Cc1cccc2c(F)cccc12)[C@]1(C)CCC[NH2+]C1 ZINC001236207018 1130885818 /nfs/dbraw/zinc/88/58/18/1130885818.db2.gz NAVUHIHYFMMBHE-GOSISDBHSA-N 2 1 286.394 3.553 20 0 CHADMP C[N@H+](Cc1ccc(C(C)(C)C)cc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236211415 1130887013 /nfs/dbraw/zinc/88/70/13/1130887013.db2.gz HWMNYBZHMSXAHL-IAGOWNOFSA-N 2 1 274.452 3.686 20 0 CHADMP C[N@@H+](Cc1ccc(C(C)(C)C)cc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236211415 1130887019 /nfs/dbraw/zinc/88/70/19/1130887019.db2.gz HWMNYBZHMSXAHL-IAGOWNOFSA-N 2 1 274.452 3.686 20 0 CHADMP C[N@H+](Cc1c[nH]c2c1cccc2Cl)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236214729 1130889105 /nfs/dbraw/zinc/88/91/05/1130889105.db2.gz DWSNVQLURBLEJU-HUUCEWRRSA-N 2 1 291.826 3.523 20 0 CHADMP C[N@@H+](Cc1c[nH]c2c1cccc2Cl)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236214729 1130889110 /nfs/dbraw/zinc/88/91/10/1130889110.db2.gz DWSNVQLURBLEJU-HUUCEWRRSA-N 2 1 291.826 3.523 20 0 CHADMP C[N@H+](Cc1cccc(C(C)(C)C)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236213882 1130890881 /nfs/dbraw/zinc/89/08/81/1130890881.db2.gz CEIYSXNWISSYGE-IAGOWNOFSA-N 2 1 274.452 3.686 20 0 CHADMP C[N@@H+](Cc1cccc(C(C)(C)C)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236213882 1130890888 /nfs/dbraw/zinc/89/08/88/1130890888.db2.gz CEIYSXNWISSYGE-IAGOWNOFSA-N 2 1 274.452 3.686 20 0 CHADMP C[N@H+](Cc1cccc(C(C)(C)C)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236213880 1130890945 /nfs/dbraw/zinc/89/09/45/1130890945.db2.gz CEIYSXNWISSYGE-DLBZAZTESA-N 2 1 274.452 3.686 20 0 CHADMP C[N@@H+](Cc1cccc(C(C)(C)C)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236213880 1130890951 /nfs/dbraw/zinc/89/09/51/1130890951.db2.gz CEIYSXNWISSYGE-DLBZAZTESA-N 2 1 274.452 3.686 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(C3CCC3)cc2)CC1 ZINC001236215473 1130891678 /nfs/dbraw/zinc/89/16/78/1130891678.db2.gz NYHSRNKBHLEBST-UHFFFAOYSA-N 2 1 286.463 3.917 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(C)c(Cl)c2C)CC1 ZINC001236216049 1130894244 /nfs/dbraw/zinc/89/42/44/1130894244.db2.gz HEKDUGBQVGAMLK-UHFFFAOYSA-N 2 1 294.870 3.919 20 0 CHADMP CSc1ccc(Cl)cc1C[N@@H+](C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236221175 1130895327 /nfs/dbraw/zinc/89/53/27/1130895327.db2.gz BIMBCLIRFIBBDW-HDJSIYSDSA-N 2 1 298.883 3.764 20 0 CHADMP Cc1ccc(C[N@H+](C)C2(C)CC[NH2+]CC2)c(C)c1Cl ZINC001236228736 1130896254 /nfs/dbraw/zinc/89/62/54/1130896254.db2.gz YSVLIEAUJVZIGU-UHFFFAOYSA-N 2 1 280.843 3.531 20 0 CHADMP C[N@@H+](Cc1ccc(F)c2ccccc12)C1(C)CC[NH2+]CC1 ZINC001236226728 1130896756 /nfs/dbraw/zinc/89/67/56/1130896756.db2.gz SDFMPJHKLJQTGH-UHFFFAOYSA-N 2 1 286.394 3.553 20 0 CHADMP [NH3+]C1CCC([N@H+](Cc2ccccc2)CC2CCCC2)CC1 ZINC001236227848 1130897775 /nfs/dbraw/zinc/89/77/75/1130897775.db2.gz NQMBFJPESSLJKC-UHFFFAOYSA-N 2 1 286.463 3.949 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170759819 1130899471 /nfs/dbraw/zinc/89/94/71/1130899471.db2.gz DLRJEHLSGQKUEO-TXTZMMAHSA-N 2 1 290.495 3.760 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170759819 1130899480 /nfs/dbraw/zinc/89/94/80/1130899480.db2.gz DLRJEHLSGQKUEO-TXTZMMAHSA-N 2 1 290.495 3.760 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170759819 1130899486 /nfs/dbraw/zinc/89/94/86/1130899486.db2.gz DLRJEHLSGQKUEO-TXTZMMAHSA-N 2 1 290.495 3.760 20 0 CHADMP CC(C)CCC[N@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236270013 1130910330 /nfs/dbraw/zinc/91/03/30/1130910330.db2.gz OXBFUALSJAPNQQ-GOSISDBHSA-N 2 1 274.452 3.677 20 0 CHADMP CC(C)CCC[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236270013 1130910335 /nfs/dbraw/zinc/91/03/35/1130910335.db2.gz OXBFUALSJAPNQQ-GOSISDBHSA-N 2 1 274.452 3.677 20 0 CHADMP CC[NH+](CC)Cc1ccc(F)c(-c2ccc(N)[nH+]c2C)c1 ZINC001236326292 1130914718 /nfs/dbraw/zinc/91/47/18/1130914718.db2.gz ACCRJEUDEUUAKA-UHFFFAOYSA-N 2 1 287.382 3.620 20 0 CHADMP C[C@@H](CC[NH2+]Cc1cnc2ccccc2c1)[NH+]1CCCCC1 ZINC000784671075 1130916174 /nfs/dbraw/zinc/91/61/74/1130916174.db2.gz OVTAHIYLKNPZMO-INIZCTEOSA-N 2 1 297.446 3.589 20 0 CHADMP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001236421142 1130936479 /nfs/dbraw/zinc/93/64/79/1130936479.db2.gz PYGRJNVZVGFDLR-KUHUBIRLSA-N 2 1 298.405 3.804 20 0 CHADMP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001236421142 1130936482 /nfs/dbraw/zinc/93/64/82/1130936482.db2.gz PYGRJNVZVGFDLR-KUHUBIRLSA-N 2 1 298.405 3.804 20 0 CHADMP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001236421928 1130937415 /nfs/dbraw/zinc/93/74/15/1130937415.db2.gz UNOXNOUNLKXOCL-CJNGLKHVSA-N 2 1 299.462 3.777 20 0 CHADMP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001236421928 1130937416 /nfs/dbraw/zinc/93/74/16/1130937416.db2.gz UNOXNOUNLKXOCL-CJNGLKHVSA-N 2 1 299.462 3.777 20 0 CHADMP C[N@H+]1CC[C@H](Nc2ccc(N3CCCC3)cc2)[C@H]2CCC[C@@H]21 ZINC000796857045 1130939549 /nfs/dbraw/zinc/93/95/49/1130939549.db2.gz CAVJHSGIBYALDL-QYZOEREBSA-N 2 1 299.462 3.572 20 0 CHADMP Cc1cc(C)cc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)c1 ZINC001236428973 1130939569 /nfs/dbraw/zinc/93/95/69/1130939569.db2.gz TXQVJUVXYUFESC-MJGOQNOKSA-N 2 1 286.463 3.830 20 0 CHADMP Cc1cc(C)cc([C@@H]2CCC[N@H+]2CC[C@H]2CCCC[NH2+]2)c1 ZINC001236428891 1130940039 /nfs/dbraw/zinc/94/00/39/1130940039.db2.gz QCPKVTFUDZXOAK-MOPGFXCFSA-N 2 1 286.463 3.973 20 0 CHADMP CC(C)(C)C[N@H+](Cc1ccc(Cl)o1)C1CC[NH2+]CC1 ZINC001236459839 1130946258 /nfs/dbraw/zinc/94/62/58/1130946258.db2.gz ZWBDUZRSABJGKQ-UHFFFAOYSA-N 2 1 284.831 3.533 20 0 CHADMP CC(C)(C)C[N@@H+](Cc1ccc(Cl)o1)C1CC[NH2+]CC1 ZINC001236459839 1130946261 /nfs/dbraw/zinc/94/62/61/1130946261.db2.gz ZWBDUZRSABJGKQ-UHFFFAOYSA-N 2 1 284.831 3.533 20 0 CHADMP Cc1ccc(C[N@H+](CC(C)(C)C)C2CC[NH2+]CC2)c(F)c1 ZINC001236458603 1130946334 /nfs/dbraw/zinc/94/63/34/1130946334.db2.gz YZSNPGWIMUDBHC-UHFFFAOYSA-N 2 1 292.442 3.734 20 0 CHADMP Cc1ccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c(F)c1 ZINC001236458603 1130946337 /nfs/dbraw/zinc/94/63/37/1130946337.db2.gz YZSNPGWIMUDBHC-UHFFFAOYSA-N 2 1 292.442 3.734 20 0 CHADMP Cc1ccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)cc1F ZINC001236458059 1130946628 /nfs/dbraw/zinc/94/66/28/1130946628.db2.gz QNUHAIKGJMZSSU-UHFFFAOYSA-N 2 1 292.442 3.734 20 0 CHADMP Cc1cc(F)ccc1C[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236458591 1130946880 /nfs/dbraw/zinc/94/68/80/1130946880.db2.gz YGZSYLYBFCYCHP-UHFFFAOYSA-N 2 1 292.442 3.734 20 0 CHADMP Cc1sccc1C[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236542786 1130969759 /nfs/dbraw/zinc/96/97/59/1130969759.db2.gz HJHPOGAVGBZOEU-QAQDUYKDSA-N 2 1 292.492 3.929 20 0 CHADMP CC(C)C[N@@H+](CCC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550364 1130972964 /nfs/dbraw/zinc/97/29/64/1130972964.db2.gz GATAJWVLFFGJJL-SHTZXODSSA-N 2 1 254.462 3.651 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccc3c2CCC3)CC2CC2)CC1 ZINC001236549913 1130973365 /nfs/dbraw/zinc/97/33/65/1130973365.db2.gz CQNAAYIQIQXDBC-WGSAOQKQSA-N 2 1 298.474 3.657 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccc3ccoc32)CC2CC2)CC1 ZINC001236551126 1130973909 /nfs/dbraw/zinc/97/39/09/1130973909.db2.gz LYKMFSYEEMTGIH-IYARVYRRSA-N 2 1 298.430 3.915 20 0 CHADMP CC(C)C[N@@H+](Cc1ccc2[nH]ccc2c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552245 1130974161 /nfs/dbraw/zinc/97/41/61/1130974161.db2.gz UTJRYZUJZGYWRC-IYARVYRRSA-N 2 1 299.462 3.896 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(Cl)s2)CC2CC2)CC1 ZINC001236553328 1130974903 /nfs/dbraw/zinc/97/49/03/1130974903.db2.gz WWYDYBTWBVVRLE-JOCQHMNTSA-N 2 1 298.883 3.883 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2(c3ccccc3)CC2)C2CCC2)CC1 ZINC001236571480 1130978988 /nfs/dbraw/zinc/97/89/88/1130978988.db2.gz DJDZLBVJYIDYKP-UAPYVXQJSA-N 2 1 298.474 3.843 20 0 CHADMP CC1=CC[C@H](CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)C1(C)C ZINC001236584613 1130980781 /nfs/dbraw/zinc/98/07/81/1130980781.db2.gz MIVVBCUOTZUAAF-IAGOWNOFSA-N 2 1 290.495 3.833 20 0 CHADMP CC[NH+]1CCC([N@H+](C)Cc2cccc3sccc32)CC1 ZINC001236680286 1130993218 /nfs/dbraw/zinc/99/32/18/1130993218.db2.gz UNBGIXNYLYGEMB-UHFFFAOYSA-N 2 1 288.460 3.817 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc3sccc32)CC1 ZINC001236680286 1130993225 /nfs/dbraw/zinc/99/32/25/1130993225.db2.gz UNBGIXNYLYGEMB-UHFFFAOYSA-N 2 1 288.460 3.817 20 0 CHADMP Cc1ccc(C[N@H+](C[C@H]2C[C@H]2C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236713362 1130997570 /nfs/dbraw/zinc/99/75/70/1130997570.db2.gz APICUQTVFREQHD-NXWXRZEISA-N 2 1 286.463 3.723 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(F)cc1C ZINC000815575928 1131001588 /nfs/dbraw/zinc/00/15/88/1131001588.db2.gz FDOQFIUBNWECMH-TZMCWYRMSA-N 2 1 289.398 3.626 20 0 CHADMP CC(C)(C)C[N@@H+](CCc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236768914 1131005335 /nfs/dbraw/zinc/00/53/35/1131005335.db2.gz SPIYCWZZCYKQOY-IYARVYRRSA-N 2 1 288.479 3.847 20 0 CHADMP CCC(CC)[N@H+](C[C@@H](C)CC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236783776 1131006974 /nfs/dbraw/zinc/00/69/74/1131006974.db2.gz ZJFPYFBUPHQSKX-DZKIICNBSA-N 2 1 254.462 3.793 20 0 CHADMP Cc1cc(F)ccc1[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000815622106 1131011284 /nfs/dbraw/zinc/01/12/84/1131011284.db2.gz LSGRQCHTXQETTO-OOHWJJMZSA-N 2 1 290.426 3.802 20 0 CHADMP CCC[N@@H+](CCc1ccc(C(C)C)cc1)C[C@H]1CC[NH2+]C1 ZINC001236829481 1131016290 /nfs/dbraw/zinc/01/62/90/1131016290.db2.gz KONDSEDACURVIN-SFHVURJKSA-N 2 1 288.479 3.674 20 0 CHADMP CCC[N@H+](Cc1csc2ccccc12)C[C@H]1CC[NH2+]C1 ZINC001236835845 1131019768 /nfs/dbraw/zinc/01/97/68/1131019768.db2.gz PXQWYMYLJMFBOH-AWEZNQCLSA-N 2 1 288.460 3.723 20 0 CHADMP CC(C)[N@@H+](Cc1ccc2n1CC[NH2+]C2)[C@@H](C)c1ccccc1 ZINC001236860745 1131025705 /nfs/dbraw/zinc/02/57/05/1131025705.db2.gz UOKKAAPREQTOMD-INIZCTEOSA-N 2 1 297.446 3.563 20 0 CHADMP [NH3+]C12CC(CC[N@H+]3CCC[C@H](CCc4ccccc4)C3)(C1)C2 ZINC001236951060 1131033144 /nfs/dbraw/zinc/03/31/44/1131033144.db2.gz TZRHKMDTQBGILU-XEVCZEQESA-N 2 1 298.474 3.603 20 0 CHADMP CC(C)c1ccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001237145308 1131058580 /nfs/dbraw/zinc/05/85/80/1131058580.db2.gz MTZZGLNJAZOCJK-LJQANCHMSA-N 2 1 286.463 3.917 20 0 CHADMP CC(C)c1ccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001237145308 1131058586 /nfs/dbraw/zinc/05/85/86/1131058586.db2.gz MTZZGLNJAZOCJK-LJQANCHMSA-N 2 1 286.463 3.917 20 0 CHADMP CCCc1ccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001237156461 1131060075 /nfs/dbraw/zinc/06/00/75/1131060075.db2.gz WAZAVYHYHJDGSG-IBGZPJMESA-N 2 1 286.463 3.746 20 0 CHADMP CCCc1ccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001237156461 1131060079 /nfs/dbraw/zinc/06/00/79/1131060079.db2.gz WAZAVYHYHJDGSG-IBGZPJMESA-N 2 1 286.463 3.746 20 0 CHADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc2cccccc1-2 ZINC001237190548 1131068775 /nfs/dbraw/zinc/06/87/75/1131068775.db2.gz KHVHQNSJLSOPOE-UHFFFAOYSA-N 2 1 282.431 3.709 20 0 CHADMP CCc1cccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000799179879 1131074223 /nfs/dbraw/zinc/07/42/23/1131074223.db2.gz XJHVUYCUWCTJAD-UHFFFAOYSA-N 2 1 286.463 3.557 20 0 CHADMP CCC[C@H](C)C[N@H+]1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237301732 1131080629 /nfs/dbraw/zinc/08/06/29/1131080629.db2.gz ZOPDZXYOLAHPKJ-HNNXBMFYSA-N 2 1 272.436 3.517 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237375501 1131092125 /nfs/dbraw/zinc/09/21/25/1131092125.db2.gz NDOTWBBVYVDNAY-KSZLIROESA-N 2 1 278.484 3.833 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237375501 1131092131 /nfs/dbraw/zinc/09/21/31/1131092131.db2.gz NDOTWBBVYVDNAY-KSZLIROESA-N 2 1 278.484 3.833 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c2ccccc12 ZINC001237389109 1131094498 /nfs/dbraw/zinc/09/44/98/1131094498.db2.gz FSMDPPCAMJERQM-XLIONFOSSA-N 2 1 294.442 3.722 20 0 CHADMP CCCCc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)s1 ZINC001237394840 1131094538 /nfs/dbraw/zinc/09/45/38/1131094538.db2.gz WLLNIMSXEGEGCH-RHSMWYFYSA-N 2 1 292.492 3.665 20 0 CHADMP CCCCc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)s1 ZINC001237394840 1131094543 /nfs/dbraw/zinc/09/45/43/1131094543.db2.gz WLLNIMSXEGEGCH-RHSMWYFYSA-N 2 1 292.492 3.665 20 0 CHADMP Fc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c2ccccc12 ZINC001237392041 1131094939 /nfs/dbraw/zinc/09/49/39/1131094939.db2.gz MGGOKOADIDBPDQ-BEFAXECRSA-N 2 1 298.405 3.553 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237382806 1131095879 /nfs/dbraw/zinc/09/58/79/1131095879.db2.gz NKTATMSKMZDKHQ-GUDHTMSVSA-N 2 1 278.484 3.977 20 0 CHADMP Cc1c(Cl)cccc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001237733196 1131134884 /nfs/dbraw/zinc/13/48/84/1131134884.db2.gz BSWGAEUVJKUNNP-UHFFFAOYSA-N 2 1 292.854 3.566 20 0 CHADMP Cc1cccc(F)c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000817896956 1131186676 /nfs/dbraw/zinc/18/66/76/1131186676.db2.gz AIABAAYDTHVONS-FHLIZLRMSA-N 2 1 290.426 3.535 20 0 CHADMP Cc1cccc(F)c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000817896958 1131186965 /nfs/dbraw/zinc/18/69/65/1131186965.db2.gz AIABAAYDTHVONS-ZTFGCOKTSA-N 2 1 290.426 3.535 20 0 CHADMP C[NH2+]CCC[NH2+][C@H](C)c1ccccc1SC(C)(C)C ZINC000817941716 1131188123 /nfs/dbraw/zinc/18/81/23/1131188123.db2.gz VWMXCLSNXBGKHM-CYBMUJFWSA-N 2 1 280.481 3.837 20 0 CHADMP Cc1ccc(C[NH+]2CCC([NH+](C)C)CC2)c2ccccc12 ZINC001138013703 1131450738 /nfs/dbraw/zinc/45/07/38/1131450738.db2.gz UDHKABKIWSTZBN-UHFFFAOYSA-N 2 1 282.431 3.674 20 0 CHADMP CC(C)CC(CC(C)C)[NH2+][C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001246339258 1131477182 /nfs/dbraw/zinc/47/71/82/1131477182.db2.gz CNVLJVRMTRWISE-ZIAGYGMSSA-N 2 1 294.405 3.577 20 0 CHADMP CCCc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)s1 ZINC001138526462 1131516959 /nfs/dbraw/zinc/51/69/59/1131516959.db2.gz XENDNXLVHFLQHD-UHFFFAOYSA-N 2 1 280.481 3.618 20 0 CHADMP CCCc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)s1 ZINC001138526462 1131516963 /nfs/dbraw/zinc/51/69/63/1131516963.db2.gz XENDNXLVHFLQHD-UHFFFAOYSA-N 2 1 280.481 3.618 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC001138542638 1131518711 /nfs/dbraw/zinc/51/87/11/1131518711.db2.gz DEVOBTYLGXETFP-HUUCEWRRSA-N 2 1 283.419 3.944 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)Cc2cccs2)cc1 ZINC001138547975 1131519072 /nfs/dbraw/zinc/51/90/72/1131519072.db2.gz YMGKWIABDLWFEY-UHFFFAOYSA-N 2 1 297.427 3.874 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)Cc2cccs2)cc1 ZINC001138547975 1131519076 /nfs/dbraw/zinc/51/90/76/1131519076.db2.gz YMGKWIABDLWFEY-UHFFFAOYSA-N 2 1 297.427 3.874 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001138548220 1131520123 /nfs/dbraw/zinc/52/01/23/1131520123.db2.gz ALIDYTYPJMCGJK-GASCZTMLSA-N 2 1 283.419 3.659 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001138548220 1131520127 /nfs/dbraw/zinc/52/01/27/1131520127.db2.gz ALIDYTYPJMCGJK-GASCZTMLSA-N 2 1 283.419 3.659 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246551783 1131609239 /nfs/dbraw/zinc/60/92/39/1131609239.db2.gz RDMLKPKBVNIGOQ-HRCADAONSA-N 2 1 272.452 3.600 20 0 CHADMP CCCC[C@H](CC(C)C)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246555812 1131617845 /nfs/dbraw/zinc/61/78/45/1131617845.db2.gz HUJUTRVSUNMIPV-ZIAGYGMSSA-N 2 1 276.415 3.507 20 0 CHADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1[C@H]1CCCC2(CCCCC2)C1 ZINC001246565086 1131630796 /nfs/dbraw/zinc/63/07/96/1131630796.db2.gz OORMQGCWPDPDOL-IKGGRYGDSA-N 2 1 278.484 3.939 20 0 CHADMP CC(C)CCC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246569686 1131637733 /nfs/dbraw/zinc/63/77/33/1131637733.db2.gz RWVKXBASSIGTNM-HRCADAONSA-N 2 1 254.462 3.508 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246570724 1131643858 /nfs/dbraw/zinc/64/38/58/1131643858.db2.gz UWCCBNLRTUPGLN-VVLHAWIVSA-N 2 1 268.489 3.898 20 0 CHADMP Cc1nccn1-c1ccccc1C[N@H+]1CCC[C@](C)(F)C1 ZINC001140021999 1131657072 /nfs/dbraw/zinc/65/70/72/1131657072.db2.gz WYURXTDEDDUMAC-KRWDZBQOSA-N 2 1 287.382 3.505 20 0 CHADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)Cc1cccs1 ZINC001140027843 1131657595 /nfs/dbraw/zinc/65/75/95/1131657595.db2.gz DAQRKDOCLYGMQB-UHFFFAOYSA-N 2 1 297.427 3.874 20 0 CHADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)Cc1cccs1 ZINC001140027843 1131657598 /nfs/dbraw/zinc/65/75/98/1131657598.db2.gz DAQRKDOCLYGMQB-UHFFFAOYSA-N 2 1 297.427 3.874 20 0 CHADMP Cc1nccn1-c1ccccc1C[N@H+]1CCC[C@H](F)CC1 ZINC001140022258 1131657832 /nfs/dbraw/zinc/65/78/32/1131657832.db2.gz CECVPPRTYDGIAT-INIZCTEOSA-N 2 1 287.382 3.505 20 0 CHADMP C[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C[C@@H]1C ZINC001246577434 1131664770 /nfs/dbraw/zinc/66/47/70/1131664770.db2.gz WLTYRIYXCQNGGH-IXDOHACOSA-N 2 1 278.484 3.809 20 0 CHADMP CC[NH+](CC)C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC001140144785 1131667688 /nfs/dbraw/zinc/66/76/88/1131667688.db2.gz PHWJEGUGSXUPTL-UHFFFAOYSA-N 2 1 297.446 3.541 20 0 CHADMP CCCCC(CCCC)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246580432 1131676834 /nfs/dbraw/zinc/67/68/34/1131676834.db2.gz MTXBCOCIQCLPAO-INIZCTEOSA-N 2 1 272.452 3.888 20 0 CHADMP CCCCC(CCCC)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246580432 1131676836 /nfs/dbraw/zinc/67/68/36/1131676836.db2.gz MTXBCOCIQCLPAO-INIZCTEOSA-N 2 1 272.452 3.888 20 0 CHADMP CC(C)CC[C@H](C)[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001246595914 1131710386 /nfs/dbraw/zinc/71/03/86/1131710386.db2.gz UFEHEBORQHGDKW-JKSUJKDBSA-N 2 1 254.462 3.664 20 0 CHADMP CCCC[C@H]1C[C@@H]([NH+]2CCC(C(F)(F)F)CC2)CC[NH2+]1 ZINC001246597080 1131711204 /nfs/dbraw/zinc/71/12/04/1131711204.db2.gz DUYNMTDTFMVMQD-KBPBESRZSA-N 2 1 292.389 3.572 20 0 CHADMP CCCCCC1CCC([N@H+]2CCC[C@]3(CC[NH2+]3)C2)CC1 ZINC001246608486 1131716834 /nfs/dbraw/zinc/71/68/34/1131716834.db2.gz HFRPOSKQFFZKOF-ABHNRTSZSA-N 2 1 278.484 3.953 20 0 CHADMP CCCCC(CCCC)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001246613902 1131718326 /nfs/dbraw/zinc/71/83/26/1131718326.db2.gz ZTJRAMSRFYRZLW-QGZVFWFLSA-N 2 1 266.473 3.811 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(C)n1 ZINC000772950170 1131721419 /nfs/dbraw/zinc/72/14/19/1131721419.db2.gz GCQSUPQSYHXDKJ-OAHLLOKOSA-N 2 1 289.467 3.612 20 0 CHADMP CCCCC(CCCC)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246626605 1131723321 /nfs/dbraw/zinc/72/33/21/1131723321.db2.gz HCEHPDUACOZKAD-KRWDZBQOSA-N 2 1 266.473 3.811 20 0 CHADMP CCCCCC[C@@H](CC)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001246649906 1131775294 /nfs/dbraw/zinc/77/52/94/1131775294.db2.gz RNBYTVADHANAQE-HZPDHXFCSA-N 2 1 252.446 3.563 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](c2ccccc2)C1(C)C ZINC001171268484 1131781517 /nfs/dbraw/zinc/78/15/17/1131781517.db2.gz XFRCCMHAKISERW-GOSISDBHSA-N 2 1 288.479 3.986 20 0 CHADMP C[C@H]1CCCCC[N@H+]1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246770740 1131781544 /nfs/dbraw/zinc/78/15/44/1131781544.db2.gz RZRNAEDFDNXHDY-GTPINHCMSA-N 2 1 264.457 3.563 20 0 CHADMP CC[C@@H]1C[C@@H]([N@H+]2CCC3(CCCC3)C2)C[C@H](CC)[NH2+]1 ZINC001246809766 1131784228 /nfs/dbraw/zinc/78/42/28/1131784228.db2.gz XTLKPSWRPVDTQP-MUJYYYPQSA-N 2 1 264.457 3.562 20 0 CHADMP CC(C)(C)C1CCC([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC1 ZINC001246931753 1131820537 /nfs/dbraw/zinc/82/05/37/1131820537.db2.gz NBOCOLCWVURLKO-RYTJFDOTSA-N 2 1 278.484 3.523 20 0 CHADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC001171309769 1131824873 /nfs/dbraw/zinc/82/48/73/1131824873.db2.gz ZQLRGECSWCSUNA-ARFHVFGLSA-N 2 1 283.419 3.657 20 0 CHADMP CCCC[C@H](CC(C)C)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246942983 1131826966 /nfs/dbraw/zinc/82/69/66/1131826966.db2.gz SDKSCFSBRVSNIL-IXDOHACOSA-N 2 1 266.473 3.523 20 0 CHADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2C)CC1 ZINC001140781393 1131914061 /nfs/dbraw/zinc/91/40/61/1131914061.db2.gz RVHZPDMQPVBXIM-UHFFFAOYSA-N 2 1 292.442 3.830 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2C)CC1 ZINC001140781393 1131914067 /nfs/dbraw/zinc/91/40/67/1131914067.db2.gz RVHZPDMQPVBXIM-UHFFFAOYSA-N 2 1 292.442 3.830 20 0 CHADMP C[C@@H]1c2ccccc2CC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140802145 1131925080 /nfs/dbraw/zinc/92/50/80/1131925080.db2.gz OTINPUQNBTYYLA-CYBMUJFWSA-N 2 1 277.371 3.682 20 0 CHADMP C[C@@H]1c2ccccc2CC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140802145 1131925084 /nfs/dbraw/zinc/92/50/84/1131925084.db2.gz OTINPUQNBTYYLA-CYBMUJFWSA-N 2 1 277.371 3.682 20 0 CHADMP C[C@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)Cc2ccccc21 ZINC001140801951 1131925218 /nfs/dbraw/zinc/92/52/18/1131925218.db2.gz LOKDPXNFKABKIN-ZDUSSCGKSA-N 2 1 277.371 3.682 20 0 CHADMP C[C@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)Cc2ccccc21 ZINC001140801951 1131925226 /nfs/dbraw/zinc/92/52/26/1131925226.db2.gz LOKDPXNFKABKIN-ZDUSSCGKSA-N 2 1 277.371 3.682 20 0 CHADMP c1[nH]c2ccncc2c1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001140807097 1131928397 /nfs/dbraw/zinc/92/83/97/1131928397.db2.gz LTHHTYCRGDVVQS-MRXNPFEDSA-N 2 1 291.398 3.628 20 0 CHADMP c1nc2cc[nH]cc-2c1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001140807097 1131928403 /nfs/dbraw/zinc/92/84/03/1131928403.db2.gz LTHHTYCRGDVVQS-MRXNPFEDSA-N 2 1 291.398 3.628 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001140807097 1131928415 /nfs/dbraw/zinc/92/84/15/1131928415.db2.gz LTHHTYCRGDVVQS-MRXNPFEDSA-N 2 1 291.398 3.628 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001140807097 1131928420 /nfs/dbraw/zinc/92/84/20/1131928420.db2.gz LTHHTYCRGDVVQS-MRXNPFEDSA-N 2 1 291.398 3.628 20 0 CHADMP CC[N@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccc(OC)cc1 ZINC001140804926 1131929575 /nfs/dbraw/zinc/92/95/75/1131929575.db2.gz KRIFDIBLNYDQPQ-UHFFFAOYSA-N 2 1 295.386 3.594 20 0 CHADMP CC[N@@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccc(OC)cc1 ZINC001140804926 1131929580 /nfs/dbraw/zinc/92/95/80/1131929580.db2.gz KRIFDIBLNYDQPQ-UHFFFAOYSA-N 2 1 295.386 3.594 20 0 CHADMP C[NH+]1CCC([NH2+][C@@H](c2ccccc2)C2CCCCC2)CC1 ZINC000037267020 1132027354 /nfs/dbraw/zinc/02/73/54/1132027354.db2.gz GDRRZIPOVFLWFD-IBGZPJMESA-N 2 1 286.463 3.992 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(C(C)(C)C)cc1 ZINC000037267123 1132027643 /nfs/dbraw/zinc/02/76/43/1132027643.db2.gz CETWMRHYFQUUFM-AWEZNQCLSA-N 2 1 274.452 3.729 20 0 CHADMP CC(C)=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716717191 1132030782 /nfs/dbraw/zinc/03/07/82/1132030782.db2.gz IWANFAWGMGKPRJ-FHWLQOOXSA-N 2 1 284.447 3.595 20 0 CHADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1CCc2c(C)cccc2C1 ZINC001171549748 1132051890 /nfs/dbraw/zinc/05/18/90/1132051890.db2.gz FLIWVZIRBXHNJL-SFHVURJKSA-N 2 1 288.479 3.564 20 0 CHADMP CC(C)[N@@H+](CC1CC1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171637931 1132082186 /nfs/dbraw/zinc/08/21/86/1132082186.db2.gz SSNYJZMPWFSKFG-UHFFFAOYSA-N 2 1 266.473 3.758 20 0 CHADMP CC(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171966235 1132113131 /nfs/dbraw/zinc/11/31/31/1132113131.db2.gz UGWCSSCWWJKPOW-QGZVFWFLSA-N 2 1 274.452 3.675 20 0 CHADMP CC/C=C/[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974209 1132116807 /nfs/dbraw/zinc/11/68/07/1132116807.db2.gz DSSTUMRZJAVWPY-QJXUFPCYSA-N 2 1 272.436 3.943 20 0 CHADMP C[N@@H+](CC1CC1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976642 1132117880 /nfs/dbraw/zinc/11/78/80/1132117880.db2.gz MFDAOKZEWTWIER-GOSISDBHSA-N 2 1 286.463 3.771 20 0 CHADMP C[NH+](CC1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976642 1132117883 /nfs/dbraw/zinc/11/78/83/1132117883.db2.gz MFDAOKZEWTWIER-GOSISDBHSA-N 2 1 286.463 3.771 20 0 CHADMP C[NH+](CC1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976642 1132117886 /nfs/dbraw/zinc/11/78/86/1132117886.db2.gz MFDAOKZEWTWIER-GOSISDBHSA-N 2 1 286.463 3.771 20 0 CHADMP CC(C)[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977464 1132119482 /nfs/dbraw/zinc/11/94/82/1132119482.db2.gz RLVYZSOUXGUBIY-QGZVFWFLSA-N 2 1 274.452 3.770 20 0 CHADMP CC(C)[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977464 1132119485 /nfs/dbraw/zinc/11/94/85/1132119485.db2.gz RLVYZSOUXGUBIY-QGZVFWFLSA-N 2 1 274.452 3.770 20 0 CHADMP CC(C)[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977464 1132119488 /nfs/dbraw/zinc/11/94/88/1132119488.db2.gz RLVYZSOUXGUBIY-QGZVFWFLSA-N 2 1 274.452 3.770 20 0 CHADMP CC(C)[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977464 1132119491 /nfs/dbraw/zinc/11/94/91/1132119491.db2.gz RLVYZSOUXGUBIY-QGZVFWFLSA-N 2 1 274.452 3.770 20 0 CHADMP CC1(C)C[C@@H]([NH2+][C@@H]2CC23CCC3)CC[N@H+]1Cc1ccccc1 ZINC001171978662 1132120253 /nfs/dbraw/zinc/12/02/53/1132120253.db2.gz IDKZHKCZTNMTSU-ZWKOTPCHSA-N 2 1 298.474 3.962 20 0 CHADMP CCC[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172080345 1132123243 /nfs/dbraw/zinc/12/32/43/1132123243.db2.gz UIKNSGBSBVEDLL-BWTSREIZSA-N 2 1 286.463 3.914 20 0 CHADMP CCC[N@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172080345 1132123231 /nfs/dbraw/zinc/12/32/31/1132123231.db2.gz UIKNSGBSBVEDLL-BWTSREIZSA-N 2 1 286.463 3.914 20 0 CHADMP CCC[N@@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172080345 1132123234 /nfs/dbraw/zinc/12/32/34/1132123234.db2.gz UIKNSGBSBVEDLL-BWTSREIZSA-N 2 1 286.463 3.914 20 0 CHADMP CCC[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172080345 1132123238 /nfs/dbraw/zinc/12/32/38/1132123238.db2.gz UIKNSGBSBVEDLL-BWTSREIZSA-N 2 1 286.463 3.914 20 0 CHADMP CCCC[NH+](CCCC)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172125396 1132124915 /nfs/dbraw/zinc/12/49/15/1132124915.db2.gz QMSFVRNWKCNWAX-FVQHAEBGSA-N 2 1 266.473 3.904 20 0 CHADMP CCCC[NH+](CCCC)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172125396 1132124919 /nfs/dbraw/zinc/12/49/19/1132124919.db2.gz QMSFVRNWKCNWAX-FVQHAEBGSA-N 2 1 266.473 3.904 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(F)ccc1Cl)C2 ZINC001172100559 1132125848 /nfs/dbraw/zinc/12/58/48/1132125848.db2.gz FBGMHDXVDUCSFG-QDMKHBRRSA-N 2 1 296.817 3.584 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(F)ccc1Cl)C2 ZINC001172100559 1132125854 /nfs/dbraw/zinc/12/58/54/1132125854.db2.gz FBGMHDXVDUCSFG-QDMKHBRRSA-N 2 1 296.817 3.584 20 0 CHADMP Cc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172100221 1132126208 /nfs/dbraw/zinc/12/62/08/1132126208.db2.gz BIYNADVETDPSBW-LEUOFYLZSA-N 2 1 272.436 3.661 20 0 CHADMP Cc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172100221 1132126211 /nfs/dbraw/zinc/12/62/11/1132126211.db2.gz BIYNADVETDPSBW-LEUOFYLZSA-N 2 1 272.436 3.661 20 0 CHADMP Cc1ccc([C@@H]2CCC[NH+]2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cn1 ZINC001172129176 1132127383 /nfs/dbraw/zinc/12/73/83/1132127383.db2.gz XWZKOFHVMMJXPA-MANSERQUSA-N 2 1 299.462 3.542 20 0 CHADMP Cc1ccc([C@@H]2CCC[NH+]2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cn1 ZINC001172129176 1132127384 /nfs/dbraw/zinc/12/73/84/1132127384.db2.gz XWZKOFHVMMJXPA-MANSERQUSA-N 2 1 299.462 3.542 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@H+]2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cn1 ZINC001172129176 1132127385 /nfs/dbraw/zinc/12/73/85/1132127385.db2.gz XWZKOFHVMMJXPA-MANSERQUSA-N 2 1 299.462 3.542 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@@H+]2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cn1 ZINC001172129176 1132127387 /nfs/dbraw/zinc/12/73/87/1132127387.db2.gz XWZKOFHVMMJXPA-MANSERQUSA-N 2 1 299.462 3.542 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CC[C@@H](F)C3)CC1)C2 ZINC001172129047 1132127536 /nfs/dbraw/zinc/12/75/36/1132127536.db2.gz VUTYLZNIYAFSHU-NCOADZHNSA-N 2 1 294.458 3.606 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CC[C@@H](F)C3)CC1)C2 ZINC001172129047 1132127539 /nfs/dbraw/zinc/12/75/39/1132127539.db2.gz VUTYLZNIYAFSHU-NCOADZHNSA-N 2 1 294.458 3.606 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc3ccccc3o1)C2 ZINC001172104672 1132129869 /nfs/dbraw/zinc/12/98/69/1132129869.db2.gz DZRZQPXQSYLGTQ-PHZGNYQRSA-N 2 1 284.403 3.538 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@H]3CCCC[C@@H]31)C2 ZINC001172105394 1132130106 /nfs/dbraw/zinc/13/01/06/1132130106.db2.gz IAHUSQCQCDGAKR-ZBLLQYKHSA-N 2 1 290.495 3.950 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@H]3CCCC[C@@H]31)C2 ZINC001172105394 1132130108 /nfs/dbraw/zinc/13/01/08/1132130108.db2.gz IAHUSQCQCDGAKR-ZBLLQYKHSA-N 2 1 290.495 3.950 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCCCC1(C)C)C2 ZINC001172112146 1132131799 /nfs/dbraw/zinc/13/17/99/1132131799.db2.gz SKFMTRSMOSDMGS-LVQVYYBASA-N 2 1 264.457 3.560 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCCCC1(C)C)C2 ZINC001172112146 1132131804 /nfs/dbraw/zinc/13/18/04/1132131804.db2.gz SKFMTRSMOSDMGS-LVQVYYBASA-N 2 1 264.457 3.560 20 0 CHADMP C[C@@H]1c2ccccc2CC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172112778 1132131991 /nfs/dbraw/zinc/13/19/91/1132131991.db2.gz FFEHOFPATCVAMV-BGTYHANMSA-N 2 1 284.447 3.621 20 0 CHADMP C[C@@H]1c2ccccc2CC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172112778 1132131995 /nfs/dbraw/zinc/13/19/95/1132131995.db2.gz FFEHOFPATCVAMV-BGTYHANMSA-N 2 1 284.447 3.621 20 0 CHADMP C[C@@H]1c2ccccc2CC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112778 1132132000 /nfs/dbraw/zinc/13/20/00/1132132000.db2.gz FFEHOFPATCVAMV-BGTYHANMSA-N 2 1 284.447 3.621 20 0 CHADMP CCCC[N@H+](CCC)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120374 1132133418 /nfs/dbraw/zinc/13/34/18/1132133418.db2.gz DXKVLWAUYVOEPK-ZSHCYNCHSA-N 2 1 252.446 3.514 20 0 CHADMP CCCC[N@@H+](CCC)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120374 1132133420 /nfs/dbraw/zinc/13/34/20/1132133420.db2.gz DXKVLWAUYVOEPK-ZSHCYNCHSA-N 2 1 252.446 3.514 20 0 CHADMP CCCC[NH+](CCC)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172120374 1132133424 /nfs/dbraw/zinc/13/34/24/1132133424.db2.gz DXKVLWAUYVOEPK-ZSHCYNCHSA-N 2 1 252.446 3.514 20 0 CHADMP CCCC[NH+](CCC)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172120374 1132133426 /nfs/dbraw/zinc/13/34/26/1132133426.db2.gz DXKVLWAUYVOEPK-ZSHCYNCHSA-N 2 1 252.446 3.514 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H](c3ccccc3)C1)C2 ZINC001172121447 1132135094 /nfs/dbraw/zinc/13/50/94/1132135094.db2.gz JOVXCYCQVDPREE-YSTOQKLRSA-N 2 1 298.474 3.881 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H](c3ccccc3)C1)C2 ZINC001172121447 1132135098 /nfs/dbraw/zinc/13/50/98/1132135098.db2.gz JOVXCYCQVDPREE-YSTOQKLRSA-N 2 1 298.474 3.881 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](c3ccccc3)C1)C2 ZINC001172121447 1132135102 /nfs/dbraw/zinc/13/51/02/1132135102.db2.gz JOVXCYCQVDPREE-YSTOQKLRSA-N 2 1 298.474 3.881 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@H](c3ccccc3)C1)C2 ZINC001172121447 1132135106 /nfs/dbraw/zinc/13/51/06/1132135106.db2.gz JOVXCYCQVDPREE-YSTOQKLRSA-N 2 1 298.474 3.881 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H]1c1cccs1)C2 ZINC001172121542 1132135284 /nfs/dbraw/zinc/13/52/84/1132135284.db2.gz KOFDEEYKRPKWDG-FZKCQIBNSA-N 2 1 290.476 3.900 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@H]1c1cccs1)C2 ZINC001172121542 1132135287 /nfs/dbraw/zinc/13/52/87/1132135287.db2.gz KOFDEEYKRPKWDG-FZKCQIBNSA-N 2 1 290.476 3.900 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H]1c1cccs1)C2 ZINC001172121542 1132135291 /nfs/dbraw/zinc/13/52/91/1132135291.db2.gz KOFDEEYKRPKWDG-FZKCQIBNSA-N 2 1 290.476 3.900 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H]3CCCC[C@H]31)C2 ZINC001172123505 1132136216 /nfs/dbraw/zinc/13/62/16/1132136216.db2.gz GNFDJNPAYOPJTF-QXDIGNSFSA-N 2 1 276.468 3.656 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H]3CCCC[C@H]31)C2 ZINC001172123505 1132136217 /nfs/dbraw/zinc/13/62/17/1132136217.db2.gz GNFDJNPAYOPJTF-QXDIGNSFSA-N 2 1 276.468 3.656 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]3CCCC[C@H]31)C2 ZINC001172123505 1132136219 /nfs/dbraw/zinc/13/62/19/1132136219.db2.gz GNFDJNPAYOPJTF-QXDIGNSFSA-N 2 1 276.468 3.656 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]3CCCC[C@H]31)C2 ZINC001172123505 1132136222 /nfs/dbraw/zinc/13/62/22/1132136222.db2.gz GNFDJNPAYOPJTF-QXDIGNSFSA-N 2 1 276.468 3.656 20 0 CHADMP CCCCCC[C@@H](CCC)[NH2+]C1CC[NH+](C)CC1 ZINC001172379778 1132171048 /nfs/dbraw/zinc/17/10/48/1132171048.db2.gz WMCKVUJIFIVKFR-OAHLLOKOSA-N 2 1 254.462 3.809 20 0 CHADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)C1 ZINC001172368813 1132194816 /nfs/dbraw/zinc/19/48/16/1132194816.db2.gz JJLOUKVLCVDWRV-JJXSEGSLSA-N 2 1 266.473 3.664 20 0 CHADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)C1 ZINC001172368813 1132194822 /nfs/dbraw/zinc/19/48/22/1132194822.db2.gz JJLOUKVLCVDWRV-JJXSEGSLSA-N 2 1 266.473 3.664 20 0 CHADMP CC[C@H](CC(C)C)[NH2+][C@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001172402628 1132195220 /nfs/dbraw/zinc/19/52/20/1132195220.db2.gz TUCVGLJCTMCDBT-OAGGEKHMSA-N 2 1 254.462 3.520 20 0 CHADMP CCOCC[C@@H](C)[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001172430502 1132207338 /nfs/dbraw/zinc/20/73/38/1132207338.db2.gz GVWRFFMUJDNTAQ-MRXNPFEDSA-N 2 1 296.499 3.530 20 0 CHADMP CC(C)OCC[C@@H](C)[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172438703 1132232976 /nfs/dbraw/zinc/23/29/76/1132232976.db2.gz BPYAHIQCYSNDGD-JFIYKMOQSA-N 2 1 296.499 3.705 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172566888 1132270826 /nfs/dbraw/zinc/27/08/26/1132270826.db2.gz ACRIRYKSINQSEZ-MSOLQXFVSA-N 2 1 274.452 3.596 20 0 CHADMP CN1CCC[C@H]2C[N@H+](C3CCC4(CCCC4)CC3)C[C@@H]21 ZINC001172730557 1132303475 /nfs/dbraw/zinc/30/34/75/1132303475.db2.gz JGTXVOJIKWWRJL-RDJZCZTQSA-N 2 1 276.468 3.515 20 0 CHADMP CCc1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)s1 ZINC001231501867 1132305284 /nfs/dbraw/zinc/30/52/84/1132305284.db2.gz VZAVSVUTPQEODF-UHFFFAOYSA-N 2 1 294.508 3.863 20 0 CHADMP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001172841252 1132333661 /nfs/dbraw/zinc/33/36/61/1132333661.db2.gz JJDBHGPGGRZASJ-HIFPTAJRSA-N 2 1 298.833 3.612 20 0 CHADMP Cc1c[nH+]c(Nc2ccc(C3CC[NH+](C)CC3)cc2)c(N)c1 ZINC001212687933 1132349940 /nfs/dbraw/zinc/34/99/40/1132349940.db2.gz VMCVXQJLVYVPQA-UHFFFAOYSA-N 2 1 296.418 3.525 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@](C)(F)C2)CC1 ZINC001173110131 1132393205 /nfs/dbraw/zinc/39/32/05/1132393205.db2.gz PKBVCBLPDJRMBI-JCYILVPMSA-N 2 1 284.463 3.854 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCCCC[C@H]2C)CC1 ZINC001173112691 1132394154 /nfs/dbraw/zinc/39/41/54/1132394154.db2.gz ZRCGOUWDUAZWIZ-KLAILNCOSA-N 2 1 266.473 3.904 20 0 CHADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC001232013873 1132411429 /nfs/dbraw/zinc/41/14/29/1132411429.db2.gz DYCUEBCFIRZWAC-INIZCTEOSA-N 2 1 291.398 3.943 20 0 CHADMP C[N@@H+](CCc1ccccc1Cl)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014874 1132411582 /nfs/dbraw/zinc/41/15/82/1132411582.db2.gz VZXXQGDMWCHSOK-UHFFFAOYSA-N 2 1 299.805 3.891 20 0 CHADMP CCCC[C@@H](CC(C)C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001173248773 1132419084 /nfs/dbraw/zinc/41/90/84/1132419084.db2.gz FYNWSYBACGNXFS-JKSUJKDBSA-N 2 1 254.462 3.665 20 0 CHADMP CC[C@H]1CCCC[N@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232146696 1132427161 /nfs/dbraw/zinc/42/71/61/1132427161.db2.gz ZEWPQQRAOFJJAH-KRWDZBQOSA-N 2 1 278.415 3.652 20 0 CHADMP C[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C[C@H]1C ZINC001232144348 1132427500 /nfs/dbraw/zinc/42/75/00/1132427500.db2.gz IYUODTKZBWVXMF-HUUCEWRRSA-N 2 1 292.442 3.755 20 0 CHADMP CC[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232146697 1132428572 /nfs/dbraw/zinc/42/85/72/1132428572.db2.gz ZEWPQQRAOFJJAH-QGZVFWFLSA-N 2 1 278.415 3.652 20 0 CHADMP C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CCCCCCC[NH3+] ZINC000842473122 1132432871 /nfs/dbraw/zinc/43/28/71/1132432871.db2.gz PRDQPLNBXMAWDD-CQSZACIVSA-N 2 1 278.415 3.654 20 0 CHADMP CC[C@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)C1 ZINC001173269124 1132434117 /nfs/dbraw/zinc/43/41/17/1132434117.db2.gz FSFZCJQNLGOCLI-WMLDXEAASA-N 2 1 290.426 3.654 20 0 CHADMP CC[C@H]1CC[C@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001173283410 1132455165 /nfs/dbraw/zinc/45/51/65/1132455165.db2.gz VCYZYWBIQYWTDV-WMZOPIPTSA-N 2 1 290.495 3.906 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2CCCC3(CCCCC3)C2)CC1 ZINC001173350402 1132475042 /nfs/dbraw/zinc/47/50/42/1132475042.db2.gz WRTPIQPDZOINTJ-QGZVFWFLSA-N 2 1 278.484 3.953 20 0 CHADMP C[N@@H+](Cc1ccc(-c2ccccc2)o1)C1CCC([NH3+])CC1 ZINC000843054928 1132494370 /nfs/dbraw/zinc/49/43/70/1132494370.db2.gz NZCVKJZJIGPMKS-UHFFFAOYSA-N 2 1 284.403 3.648 20 0 CHADMP Cc1c(C)c(C)c(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(C)c1C ZINC001206632060 1132545125 /nfs/dbraw/zinc/54/51/25/1132545125.db2.gz FLXBGECAFNLAJP-GOSISDBHSA-N 2 1 288.479 3.790 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1 ZINC001206631874 1132547396 /nfs/dbraw/zinc/54/73/96/1132547396.db2.gz BTZPIPNCDNUGDI-KRWDZBQOSA-N 2 1 288.479 3.935 20 0 CHADMP Cc1ccc2cc[nH+]c(NC[C@H]3CCC[NH2+]C[C@@H]3C)c2c1 ZINC001155022668 1132636842 /nfs/dbraw/zinc/63/68/42/1132636842.db2.gz AMFICHCDLKAUBW-GOEBONIOSA-N 2 1 283.419 3.591 20 0 CHADMP CC(C)Oc1cc[nH+]c(NCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001156929440 1132716843 /nfs/dbraw/zinc/71/68/43/1132716843.db2.gz WTLWDQUUFSWCJL-HNNXBMFYSA-N 2 1 291.439 3.545 20 0 CHADMP c1cc2cc(Nc3ccc4c(c3)C[NH2+]C4)ccc2c[nH+]1 ZINC001159447501 1132846156 /nfs/dbraw/zinc/84/61/56/1132846156.db2.gz MWYDHJFSZWRVPM-UHFFFAOYSA-N 2 1 261.328 3.582 20 0 CHADMP c1cc([NH+]2CCCCCC2)ccc1NC1=CCC[NH2+]CC1 ZINC001159542217 1132860039 /nfs/dbraw/zinc/86/00/39/1132860039.db2.gz NBDCJOZCPHUSFD-UHFFFAOYSA-N 2 1 285.435 3.746 20 0 CHADMP CC[NH+](CC)c1ccc(NC2=C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1 ZINC001159656721 1132886042 /nfs/dbraw/zinc/88/60/42/1132886042.db2.gz XSBWIJPGDZQEMN-CABCVRRESA-N 2 1 285.435 3.661 20 0 CHADMP c1cc2cc[nH+]cc2c(Nc2ccc3c(c2)CC[NH2+]CC3)c1 ZINC001159679745 1132891256 /nfs/dbraw/zinc/89/12/56/1132891256.db2.gz XEXROLZFAUOGSG-UHFFFAOYSA-N 2 1 289.382 3.667 20 0 CHADMP CC[NH+](CC)c1ccc(Nc2ccccc2C[NH3+])cc1 ZINC001159734579 1132901544 /nfs/dbraw/zinc/90/15/44/1132901544.db2.gz BLGSGBBZZHQLFA-UHFFFAOYSA-N 2 1 269.392 3.735 20 0 CHADMP Cc1ccc2c(C)cc(N[C@@H]3CCC[C@H]([NH3+])C3)[nH+]c2c1 ZINC001162396367 1133074264 /nfs/dbraw/zinc/07/42/64/1133074264.db2.gz ZAHIRQIJFMRWAZ-UONOGXRCSA-N 2 1 269.392 3.533 20 0 CHADMP Cc1c[nH+]c(NC[C@@H]2CCC[NH2+]C[C@H]2C)c2ccccc12 ZINC001162454470 1133078578 /nfs/dbraw/zinc/07/85/78/1133078578.db2.gz OLPLWZAHLFSRAV-HIFRSBDPSA-N 2 1 283.419 3.591 20 0 CHADMP CC(C)c1ccc(CC[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC001206680593 1133125586 /nfs/dbraw/zinc/12/55/86/1133125586.db2.gz NQNPUGAPRCJUFK-SFHVURJKSA-N 2 1 288.479 3.674 20 0 CHADMP Cc1ccc2c(cc[nH+]c2NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC001165261986 1133233762 /nfs/dbraw/zinc/23/37/62/1133233762.db2.gz VHDLXHRIWHGSLF-OAHLLOKOSA-N 2 1 283.419 3.687 20 0 CHADMP CC[N@H+](C)C1CC[NH+](Cc2c(C)cc(C)cc2C)CC1 ZINC001203740983 1133362930 /nfs/dbraw/zinc/36/29/30/1133362930.db2.gz OLAQWQNJPJRLSF-UHFFFAOYSA-N 2 1 274.452 3.528 20 0 CHADMP CC[N@@H+](C)C1CC[NH+](Cc2c(C)cc(C)cc2C)CC1 ZINC001203740983 1133362934 /nfs/dbraw/zinc/36/29/34/1133362934.db2.gz OLAQWQNJPJRLSF-UHFFFAOYSA-N 2 1 274.452 3.528 20 0 CHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001203891896 1133381665 /nfs/dbraw/zinc/38/16/65/1133381665.db2.gz NJSXZXCXXVXSNM-LJQANCHMSA-N 2 1 286.463 3.835 20 0 CHADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC001204172232 1133415300 /nfs/dbraw/zinc/41/53/00/1133415300.db2.gz ZQWBQJKMZNECQZ-LJQANCHMSA-N 2 1 286.463 3.835 20 0 CHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(F)cc2F)CC1 ZINC001204209985 1133419748 /nfs/dbraw/zinc/41/97/48/1133419748.db2.gz DDHSJGCQBIPVTQ-UHFFFAOYSA-N 2 1 296.405 3.517 20 0 CHADMP Cc1cc(C)cc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC001204524092 1133458106 /nfs/dbraw/zinc/45/81/06/1133458106.db2.gz GZRKJUBMCUPLNX-UHFFFAOYSA-N 2 1 286.463 3.754 20 0 CHADMP CC(C)[N@H+](Cc1ccccc1)CC1CC2(C1)CC[NH2+]CC2 ZINC001204604198 1133466874 /nfs/dbraw/zinc/46/68/74/1133466874.db2.gz FTZVGXVAEXGCFW-UHFFFAOYSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@@H]1CC([NH2+]CC2([NH+](C)C)CCCCC2)C[C@@H](C)C1 ZINC000084462719 1133485455 /nfs/dbraw/zinc/48/54/55/1133485455.db2.gz VENDWOLTKMHXLV-GJZGRUSLSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1c(C[N@@H+]2CC[C@@](C)([NH3+])C2)cccc1-c1ccccc1 ZINC001204800705 1133486093 /nfs/dbraw/zinc/48/60/93/1133486093.db2.gz GHOYENNWZONUER-LJQANCHMSA-N 2 1 280.415 3.585 20 0 CHADMP Cc1c(C[N@H+]2CC[C@@](C)([NH3+])C2)cccc1-c1ccccc1 ZINC001204800705 1133486094 /nfs/dbraw/zinc/48/60/94/1133486094.db2.gz GHOYENNWZONUER-LJQANCHMSA-N 2 1 280.415 3.585 20 0 CHADMP C[C@H]1CC[C@@H](CN)[N@@H+]1Cc1ccc(-c2ccccc2)s1 ZINC001205068756 1133522149 /nfs/dbraw/zinc/52/21/49/1133522149.db2.gz PAFSSLKUUGIFFB-ZFWWWQNUSA-N 2 1 286.444 3.727 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(-c2ccccc2)s1 ZINC001205068756 1133522155 /nfs/dbraw/zinc/52/21/55/1133522155.db2.gz PAFSSLKUUGIFFB-ZFWWWQNUSA-N 2 1 286.444 3.727 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(-c2ccccc2)s1 ZINC001205068756 1133522159 /nfs/dbraw/zinc/52/21/59/1133522159.db2.gz PAFSSLKUUGIFFB-ZFWWWQNUSA-N 2 1 286.444 3.727 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(Cc2ccccc2)cc1 ZINC001205082165 1133525198 /nfs/dbraw/zinc/52/51/98/1133525198.db2.gz BANBSKIJYFEKFE-JXFKEZNVSA-N 2 1 294.442 3.589 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(Cc2ccccc2)cc1 ZINC001205082165 1133525201 /nfs/dbraw/zinc/52/52/01/1133525201.db2.gz BANBSKIJYFEKFE-JXFKEZNVSA-N 2 1 294.442 3.589 20 0 CHADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(-c3cccs3)s2)CC1 ZINC001205101683 1133529801 /nfs/dbraw/zinc/52/98/01/1133529801.db2.gz JACUYDCCIHDRAS-GFCCVEGCSA-N 2 1 292.473 3.790 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CCC[C@@H]([NH3+])CC3)cc2)o1 ZINC001205110310 1133531039 /nfs/dbraw/zinc/53/10/39/1133531039.db2.gz RSXFNSMGYNQCOK-QGZVFWFLSA-N 2 1 284.403 3.568 20 0 CHADMP Cc1ccc2c(c1)C[N@@H+](CCC[NH2+]C1CCCCC1)CC2 ZINC001205164653 1133539377 /nfs/dbraw/zinc/53/93/77/1133539377.db2.gz KYLSSMPYVSHEGA-UHFFFAOYSA-N 2 1 286.463 3.666 20 0 CHADMP Cc1ccc2c(c1)C[N@H+](CCC[NH2+]C1CCCCC1)CC2 ZINC001205164653 1133539382 /nfs/dbraw/zinc/53/93/82/1133539382.db2.gz KYLSSMPYVSHEGA-UHFFFAOYSA-N 2 1 286.463 3.666 20 0 CHADMP Cc1c(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)cccc1-c1ccccc1 ZINC001205201614 1133546412 /nfs/dbraw/zinc/54/64/12/1133546412.db2.gz GUAOUTBVLPWHLE-DNVCBOLYSA-N 2 1 280.415 3.584 20 0 CHADMP Cc1c(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)cccc1-c1ccccc1 ZINC001205201614 1133546415 /nfs/dbraw/zinc/54/64/15/1133546415.db2.gz GUAOUTBVLPWHLE-DNVCBOLYSA-N 2 1 280.415 3.584 20 0 CHADMP CCc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)ccc1Cl ZINC001205288394 1133554530 /nfs/dbraw/zinc/55/45/30/1133554530.db2.gz KGOFTEXQHFEZKB-INIZCTEOSA-N 2 1 280.843 3.606 20 0 CHADMP C[C@H](C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1)c1cccc2ccccc21 ZINC001205296078 1133555843 /nfs/dbraw/zinc/55/58/43/1133555843.db2.gz GEVJZTLDRKQFBH-LZLYRXPVSA-N 2 1 296.458 3.860 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)cc2)o1 ZINC001205303602 1133557044 /nfs/dbraw/zinc/55/70/44/1133557044.db2.gz IJGITNAXGOGKKA-RDTXWAMCSA-N 2 1 298.430 3.672 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)cc2)o1 ZINC001205303600 1133557378 /nfs/dbraw/zinc/55/73/78/1133557378.db2.gz IJGITNAXGOGKKA-KDOFPFPSSA-N 2 1 298.430 3.672 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2)CC[C@@H]1C[NH3+] ZINC001205626540 1133596086 /nfs/dbraw/zinc/59/60/86/1133596086.db2.gz HBIDPKJDOMBLMP-DOTOQJQBSA-N 2 1 288.479 3.791 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c2ccccc12 ZINC001205618504 1133596106 /nfs/dbraw/zinc/59/61/06/1133596106.db2.gz WQKOJZOGKVSNFF-RDJZCZTQSA-N 2 1 296.458 3.955 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2ccc3ccsc3c2)CC[C@@H]1C[NH3+] ZINC001205637972 1133597408 /nfs/dbraw/zinc/59/74/08/1133597408.db2.gz KDQGLXFHTRXBFC-CZUORRHYSA-N 2 1 288.460 3.708 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2ccc3ccsc3c2)CC[C@H]1C[NH3+] ZINC001205637968 1133597433 /nfs/dbraw/zinc/59/74/33/1133597433.db2.gz KDQGLXFHTRXBFC-BBRMVZONSA-N 2 1 288.460 3.708 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCC(=C2CCC2)CC1 ZINC001205640228 1133599005 /nfs/dbraw/zinc/59/90/05/1133599005.db2.gz ZJXKDXCBYCXLHG-CQSZACIVSA-N 2 1 264.457 3.729 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205652518 1133599636 /nfs/dbraw/zinc/59/96/36/1133599636.db2.gz PWQRFKDIVGBSTA-UKRRQHHQSA-N 2 1 294.870 3.764 20 0 CHADMP CC(C)C1CCC(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC001205702707 1133603515 /nfs/dbraw/zinc/60/35/15/1133603515.db2.gz MMXOGBFTEGRAGH-BTRQGYIVSA-N 2 1 292.511 3.865 20 0 CHADMP CC(C)C1CCC(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC001205702707 1133603518 /nfs/dbraw/zinc/60/35/18/1133603518.db2.gz MMXOGBFTEGRAGH-BTRQGYIVSA-N 2 1 292.511 3.865 20 0 CHADMP Cc1ccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c2ccccc12 ZINC001205819083 1133619287 /nfs/dbraw/zinc/61/92/87/1133619287.db2.gz WWQBKVVSUAUMPP-WMLDXEAASA-N 2 1 282.431 3.707 20 0 CHADMP Cc1ccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c2ccccc12 ZINC001205819083 1133619288 /nfs/dbraw/zinc/61/92/88/1133619288.db2.gz WWQBKVVSUAUMPP-WMLDXEAASA-N 2 1 282.431 3.707 20 0 CHADMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001205852594 1133622228 /nfs/dbraw/zinc/62/22/28/1133622228.db2.gz GYIVQUPFTOIWJG-KBXCAEBGSA-N 2 1 272.436 3.513 20 0 CHADMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001205852594 1133622231 /nfs/dbraw/zinc/62/22/31/1133622231.db2.gz GYIVQUPFTOIWJG-KBXCAEBGSA-N 2 1 272.436 3.513 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205902001 1133628399 /nfs/dbraw/zinc/62/83/99/1133628399.db2.gz GUTUPTJRPZWDIZ-BBWFWOEESA-N 2 1 266.473 3.818 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c2ccccc12 ZINC001205904885 1133628611 /nfs/dbraw/zinc/62/86/11/1133628611.db2.gz XXQFEFVOTBWYAU-HZPDHXFCSA-N 2 1 282.431 3.707 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)s1 ZINC001205996044 1133639036 /nfs/dbraw/zinc/63/90/36/1133639036.db2.gz UEDOTMDRSFHPMJ-GJZGRUSLSA-N 2 1 294.508 3.898 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206024106 1133642991 /nfs/dbraw/zinc/64/29/91/1133642991.db2.gz HREGHEYKMZHTJN-LSDHHAIUSA-N 2 1 294.870 3.764 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc(C)c1Cl ZINC001206023767 1133643503 /nfs/dbraw/zinc/64/35/03/1133643503.db2.gz GNQYBDWRVMUIHN-ZBFHGGJFSA-N 2 1 294.870 3.764 20 0 CHADMP CSc1cc(C)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC001206035710 1133646508 /nfs/dbraw/zinc/64/65/08/1133646508.db2.gz CUTZWQATRQYHKA-GDBMZVCRSA-N 2 1 292.492 3.524 20 0 CHADMP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccccc3)cc2)CC[C@@H]1F ZINC001206164236 1133666040 /nfs/dbraw/zinc/66/60/40/1133666040.db2.gz JTSGQDLFFPCPRW-OALUTQOASA-N 2 1 298.405 3.615 20 0 CHADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)CC[C@@H]1F ZINC001206164236 1133666044 /nfs/dbraw/zinc/66/60/44/1133666044.db2.gz JTSGQDLFFPCPRW-OALUTQOASA-N 2 1 298.405 3.615 20 0 CHADMP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2)CC[C@@H]1F ZINC001206184581 1133668220 /nfs/dbraw/zinc/66/82/20/1133668220.db2.gz IWHKSBCZPRTNFA-RBUKOAKNSA-N 2 1 298.405 3.615 20 0 CHADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2)CC[C@@H]1F ZINC001206184581 1133668223 /nfs/dbraw/zinc/66/82/23/1133668223.db2.gz IWHKSBCZPRTNFA-RBUKOAKNSA-N 2 1 298.405 3.615 20 0 CHADMP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2)CC[C@H]1F ZINC001206184584 1133668308 /nfs/dbraw/zinc/66/83/08/1133668308.db2.gz IWHKSBCZPRTNFA-RTBURBONSA-N 2 1 298.405 3.615 20 0 CHADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2)CC[C@H]1F ZINC001206184584 1133668309 /nfs/dbraw/zinc/66/83/09/1133668309.db2.gz IWHKSBCZPRTNFA-RTBURBONSA-N 2 1 298.405 3.615 20 0 CHADMP C[C@H]1C[NH2+]CC[N@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001206277029 1133681028 /nfs/dbraw/zinc/68/10/28/1133681028.db2.gz MAVHJCZKAHDQSK-HNNXBMFYSA-N 2 1 298.405 3.534 20 0 CHADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001206277029 1133681032 /nfs/dbraw/zinc/68/10/32/1133681032.db2.gz MAVHJCZKAHDQSK-HNNXBMFYSA-N 2 1 298.405 3.534 20 0 CHADMP Cc1c(C[N@@H+]2CC[NH2+]C[C@H](C)C2)cccc1-c1ccccc1 ZINC001206284413 1133683128 /nfs/dbraw/zinc/68/31/28/1133683128.db2.gz DBEBRUYJYQSIOK-INIZCTEOSA-N 2 1 294.442 3.703 20 0 CHADMP Cc1ccc(Cl)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1F ZINC001206303697 1133686860 /nfs/dbraw/zinc/68/68/60/1133686860.db2.gz GCWMMMVHENTKTB-INIZCTEOSA-N 2 1 298.833 3.738 20 0 CHADMP CC1=CC[C@@H](CC[N@H+]2CCCC[C@@](C)(C[NH3+])C2)C1(C)C ZINC001206542011 1133715050 /nfs/dbraw/zinc/71/50/50/1133715050.db2.gz PCTFTCMVZJMCNY-WMZOPIPTSA-N 2 1 278.484 3.820 20 0 CHADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC001206554517 1133716550 /nfs/dbraw/zinc/71/65/50/1133716550.db2.gz DKWGQFKPFVSSIZ-GOSISDBHSA-N 2 1 272.436 3.515 20 0 CHADMP Nc1cc(Nc2ccc([NH+]3CCCCCC3)cc2)cc[nH+]1 ZINC001206557158 1133716713 /nfs/dbraw/zinc/71/67/13/1133716713.db2.gz OTIUSEMQLQNGET-UHFFFAOYSA-N 2 1 282.391 3.788 20 0 CHADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC001206554566 1133716817 /nfs/dbraw/zinc/71/68/17/1133716817.db2.gz FNVFQSHIHNMCIL-INIZCTEOSA-N 2 1 282.378 3.575 20 0 CHADMP CC(C)Cc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001206563877 1133718156 /nfs/dbraw/zinc/71/81/56/1133718156.db2.gz JLZQTFZQMSJNQV-LJQANCHMSA-N 2 1 288.479 3.836 20 0 CHADMP Cc1cccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1Cl ZINC001206572850 1133720824 /nfs/dbraw/zinc/72/08/24/1133720824.db2.gz GCGATQUMKHMAOQ-INIZCTEOSA-N 2 1 280.843 3.599 20 0 CHADMP CCc1cccc(C)c1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206574167 1133721152 /nfs/dbraw/zinc/72/11/52/1133721152.db2.gz PXUDJBWNDQNEDK-GOSISDBHSA-N 2 1 274.452 3.508 20 0 CHADMP CC(C)[N@@H+](CCc1cccc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC001206583868 1133721629 /nfs/dbraw/zinc/72/16/29/1133721629.db2.gz XIMGHNGNJNHMCV-KRWDZBQOSA-N 2 1 294.870 3.735 20 0 CHADMP Cc1ccc2[nH]cc(C[N@H+](C(C)C)[C@H]3CCC[NH2+]CC3)c2c1 ZINC001206583845 1133721646 /nfs/dbraw/zinc/72/16/46/1133721646.db2.gz XGKCGWWJCUPQTJ-KRWDZBQOSA-N 2 1 299.462 3.829 20 0 CHADMP CCc1cccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1 ZINC001206589993 1133722911 /nfs/dbraw/zinc/72/29/11/1133722911.db2.gz KDBGCXCYXYBNEV-GOSISDBHSA-N 2 1 274.452 3.602 20 0 CHADMP CC(C)[N@@H+](Cc1cc(F)cc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206591288 1133723606 /nfs/dbraw/zinc/72/36/06/1133723606.db2.gz QOFUDWWFVWDXGB-MRXNPFEDSA-N 2 1 298.833 3.832 20 0 CHADMP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c2ccccc12 ZINC001206768672 1133745898 /nfs/dbraw/zinc/74/58/98/1133745898.db2.gz LHUYMGFNGGYJLH-JKSUJKDBSA-N 2 1 282.431 3.707 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206767896 1133746239 /nfs/dbraw/zinc/74/62/39/1133746239.db2.gz FYFUAASNSFGZHF-TZMCWYRMSA-N 2 1 288.460 3.769 20 0 CHADMP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(C)c1Cl ZINC001206807260 1133751366 /nfs/dbraw/zinc/75/13/66/1133751366.db2.gz IBFPSLXNUKPUGS-TZMCWYRMSA-N 2 1 280.843 3.516 20 0 CHADMP c1ccc(C[NH+]2CCC(C[N@H+]3CC4CCC3CC4)CC2)cc1 ZINC001207292361 1133789387 /nfs/dbraw/zinc/78/93/87/1133789387.db2.gz PRTIMGCLZNBZQI-UHFFFAOYSA-N 2 1 298.474 3.773 20 0 CHADMP c1ccc(C[NH+]2CCC(C[N@H+]3CCC4(CCC4)C3)CC2)cc1 ZINC001207292123 1133789397 /nfs/dbraw/zinc/78/93/97/1133789397.db2.gz KESFNOIDMPMEGC-UHFFFAOYSA-N 2 1 298.474 3.775 20 0 CHADMP C[C@@H](C[N@@H+](C)CCCC[NH+]1CCCCC1)c1ccccc1 ZINC001207302959 1133790446 /nfs/dbraw/zinc/79/04/46/1133790446.db2.gz WTDAMWIKDVIQMQ-SFHVURJKSA-N 2 1 288.479 3.988 20 0 CHADMP Clc1ccc([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)s1 ZINC001207438044 1133803036 /nfs/dbraw/zinc/80/30/36/1133803036.db2.gz SAMULSBXEQGDHQ-GFCCVEGCSA-N 2 1 284.856 3.538 20 0 CHADMP C[NH+]1CCC(CC[N@H+]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC001207479619 1133805867 /nfs/dbraw/zinc/80/58/67/1133805867.db2.gz KWVAPSJSKHFUHN-GOSISDBHSA-N 2 1 290.426 3.695 20 0 CHADMP C[NH+]1CCC(CC[N@H+]2CCC[C@H]2c2ccccc2F)CC1 ZINC001207483575 1133806297 /nfs/dbraw/zinc/80/62/97/1133806297.db2.gz FYJXFVMWFFVJNF-SFHVURJKSA-N 2 1 290.426 3.695 20 0 CHADMP C[N@H+](CCc1cccc(Cl)c1)CCC1CC[NH+](C)CC1 ZINC001207485182 1133806490 /nfs/dbraw/zinc/80/64/90/1133806490.db2.gz SZUPAODPEVKLQR-UHFFFAOYSA-N 2 1 294.870 3.546 20 0 CHADMP C[NH+]1CCC(C)(C[N@H+]2CCCC[C@H]2c2ccccc2)CC1 ZINC001208106973 1133876361 /nfs/dbraw/zinc/87/63/61/1133876361.db2.gz IBZCYMUDZSFMGD-SFHVURJKSA-N 2 1 286.463 3.946 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+](C)CC1(C)CC[NH+](C)CC1 ZINC001208108563 1133876853 /nfs/dbraw/zinc/87/68/53/1133876853.db2.gz FKBPCHWYCDOMHI-QGZVFWFLSA-N 2 1 274.452 3.801 20 0 CHADMP CCC[N@@H+](CC1(C[NH+](C)C)CCCC1)[C@@H](C)CC ZINC001208182475 1133900334 /nfs/dbraw/zinc/90/03/34/1133900334.db2.gz XAFDWNYSYYQYHC-HNNXBMFYSA-N 2 1 254.462 3.619 20 0 CHADMP C[NH+](C)CC1(C[N@H+]2CCCC3(CCCC3)C2)CCCC1 ZINC001208183746 1133900847 /nfs/dbraw/zinc/90/08/47/1133900847.db2.gz FPTRFYVSPWLFKP-UHFFFAOYSA-N 2 1 278.484 3.765 20 0 CHADMP CC[NH+]1CCC(C[N@@H+](Cc2ccccc2)C(C)C)CC1 ZINC001208596015 1133918607 /nfs/dbraw/zinc/91/86/07/1133918607.db2.gz ZHTUDPXAAQXHJG-UHFFFAOYSA-N 2 1 274.452 3.629 20 0 CHADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H]2c2ccccc2F)CC1 ZINC001208600007 1133918924 /nfs/dbraw/zinc/91/89/24/1133918924.db2.gz OFFWJYXQFAOLCQ-GOSISDBHSA-N 2 1 290.426 3.695 20 0 CHADMP CCCC[N@@H+](Cc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC001208607854 1133920355 /nfs/dbraw/zinc/92/03/55/1133920355.db2.gz NRUWRLIGXHFKQJ-SFHVURJKSA-N 2 1 274.452 3.631 20 0 CHADMP CCCC[N@H+](Cc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC001208607854 1133920357 /nfs/dbraw/zinc/92/03/57/1133920357.db2.gz NRUWRLIGXHFKQJ-SFHVURJKSA-N 2 1 274.452 3.631 20 0 CHADMP CCCC[NH+](Cc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC001208607854 1133920358 /nfs/dbraw/zinc/92/03/58/1133920358.db2.gz NRUWRLIGXHFKQJ-SFHVURJKSA-N 2 1 274.452 3.631 20 0 CHADMP CCCC[NH+](Cc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC001208607854 1133920359 /nfs/dbraw/zinc/92/03/59/1133920359.db2.gz NRUWRLIGXHFKQJ-SFHVURJKSA-N 2 1 274.452 3.631 20 0 CHADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](CCC4CC4)CC[C@H]3C2)cc1 ZINC001208687047 1133926962 /nfs/dbraw/zinc/92/69/62/1133926962.db2.gz ZBDSOBUSJDFHBS-PMACEKPBSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CCC4CC4)CC[C@H]3C2)cc1 ZINC001208687047 1133926965 /nfs/dbraw/zinc/92/69/65/1133926965.db2.gz ZBDSOBUSJDFHBS-PMACEKPBSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CCC4CC4)CC[C@H]3C2)cc1 ZINC001208687047 1133926969 /nfs/dbraw/zinc/92/69/69/1133926969.db2.gz ZBDSOBUSJDFHBS-PMACEKPBSA-N 2 1 298.474 3.631 20 0 CHADMP CC/C=C\CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001208727244 1133936375 /nfs/dbraw/zinc/93/63/75/1133936375.db2.gz KWJNXBLAEVJNGW-XLDNSSHCSA-N 2 1 298.474 3.715 20 0 CHADMP CC/C=C\CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001208727244 1133936382 /nfs/dbraw/zinc/93/63/82/1133936382.db2.gz KWJNXBLAEVJNGW-XLDNSSHCSA-N 2 1 298.474 3.715 20 0 CHADMP CC/C=C\CC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001208732819 1133937782 /nfs/dbraw/zinc/93/77/82/1133937782.db2.gz FLEUWSNJMRGNKC-FZZLMOMWSA-N 2 1 298.474 3.797 20 0 CHADMP CC/C=C\CC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001208732819 1133937786 /nfs/dbraw/zinc/93/77/86/1133937786.db2.gz FLEUWSNJMRGNKC-FZZLMOMWSA-N 2 1 298.474 3.797 20 0 CHADMP CC/C=C\CC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001208732819 1133937788 /nfs/dbraw/zinc/93/77/88/1133937788.db2.gz FLEUWSNJMRGNKC-FZZLMOMWSA-N 2 1 298.474 3.797 20 0 CHADMP CC(C)CCC[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001208733285 1133937950 /nfs/dbraw/zinc/93/79/50/1133937950.db2.gz ABMKWSLZKRIAHL-IYBDPMFKSA-N 2 1 292.492 3.548 20 0 CHADMP CC(C)CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001208733285 1133937956 /nfs/dbraw/zinc/93/79/56/1133937956.db2.gz ABMKWSLZKRIAHL-IYBDPMFKSA-N 2 1 292.492 3.548 20 0 CHADMP CC(C)CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001208733285 1133937958 /nfs/dbraw/zinc/93/79/58/1133937958.db2.gz ABMKWSLZKRIAHL-IYBDPMFKSA-N 2 1 292.492 3.548 20 0 CHADMP CC(C)CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001208733285 1133937963 /nfs/dbraw/zinc/93/79/63/1133937963.db2.gz ABMKWSLZKRIAHL-IYBDPMFKSA-N 2 1 292.492 3.548 20 0 CHADMP CC/C=C\CC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001208732815 1133938089 /nfs/dbraw/zinc/93/80/89/1133938089.db2.gz FLEUWSNJMRGNKC-FPMVPNIMSA-N 2 1 298.474 3.797 20 0 CHADMP CC/C=C\CC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001208732815 1133938094 /nfs/dbraw/zinc/93/80/94/1133938094.db2.gz FLEUWSNJMRGNKC-FPMVPNIMSA-N 2 1 298.474 3.797 20 0 CHADMP CC/C=C\CC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001208732815 1133938098 /nfs/dbraw/zinc/93/80/98/1133938098.db2.gz FLEUWSNJMRGNKC-FPMVPNIMSA-N 2 1 298.474 3.797 20 0 CHADMP CC[C@H]1CCCC[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208952800 1133967327 /nfs/dbraw/zinc/96/73/27/1133967327.db2.gz LYFNNRCBHHVZKA-MOPGFXCFSA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@H]1CCCC[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208952800 1133967332 /nfs/dbraw/zinc/96/73/32/1133967332.db2.gz LYFNNRCBHHVZKA-MOPGFXCFSA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@H]1CCCC[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208952800 1133967338 /nfs/dbraw/zinc/96/73/38/1133967338.db2.gz LYFNNRCBHHVZKA-MOPGFXCFSA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208946815 1133967554 /nfs/dbraw/zinc/96/75/54/1133967554.db2.gz IVOYTFPQVUJIBF-IEBWSBKVSA-N 2 1 286.463 3.631 20 0 CHADMP CC[C@@H]1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208946815 1133967557 /nfs/dbraw/zinc/96/75/57/1133967557.db2.gz IVOYTFPQVUJIBF-IEBWSBKVSA-N 2 1 286.463 3.631 20 0 CHADMP CC[C@@H]1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208946815 1133967559 /nfs/dbraw/zinc/96/75/59/1133967559.db2.gz IVOYTFPQVUJIBF-IEBWSBKVSA-N 2 1 286.463 3.631 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3C4CCCC3CCC4)C2)cc1 ZINC001208957356 1133970005 /nfs/dbraw/zinc/97/00/05/1133970005.db2.gz KQMVPHSZFIQGPK-XEVCZEQESA-N 2 1 298.474 3.916 20 0 CHADMP C[N@@H+](CCC[NH+]1CCCCC1)CCc1cccc(Cl)c1 ZINC001209450967 1134024544 /nfs/dbraw/zinc/02/45/44/1134024544.db2.gz PLJURIRDZCJTBK-UHFFFAOYSA-N 2 1 294.870 3.690 20 0 CHADMP C[C@@H]1CC[N@H+](Cc2cccc(-c3ccc(F)cc3)c2)CC[NH2+]1 ZINC001210498329 1134230076 /nfs/dbraw/zinc/23/00/76/1134230076.db2.gz QSCIUPGSKPCHGU-OAHLLOKOSA-N 2 1 298.405 3.677 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)CC[NH2+]1 ZINC001210498329 1134230080 /nfs/dbraw/zinc/23/00/80/1134230080.db2.gz QSCIUPGSKPCHGU-OAHLLOKOSA-N 2 1 298.405 3.677 20 0 CHADMP C[NH2+]Cc1cccc(Nc2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC001211137485 1134377443 /nfs/dbraw/zinc/37/74/43/1134377443.db2.gz ZLCSFTRETSOSRO-UHFFFAOYSA-N 2 1 292.386 3.644 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C[C@@H]1C[NH3+] ZINC000317926509 1135176121 /nfs/dbraw/zinc/17/61/21/1135176121.db2.gz PFMAPLDZXNPKBZ-UZLBHIALSA-N 2 1 294.442 3.770 20 0 CHADMP C[C@H](CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)CC(C)(C)C ZINC001222141095 1135198564 /nfs/dbraw/zinc/19/85/64/1135198564.db2.gz DUCHHTALELGFAN-WBVHZDCISA-N 2 1 266.473 3.524 20 0 CHADMP CC(C)(C)c1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001222149025 1135199909 /nfs/dbraw/zinc/19/99/09/1135199909.db2.gz VCNABPNHAYRAQB-IBGZPJMESA-N 2 1 286.463 3.560 20 0 CHADMP CCc1ccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)o1 ZINC001222162084 1135203166 /nfs/dbraw/zinc/20/31/66/1135203166.db2.gz XLODKRFZMIDOFO-GOSISDBHSA-N 2 1 290.451 3.588 20 0 CHADMP Cc1cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cs1 ZINC001222172645 1135204203 /nfs/dbraw/zinc/20/42/03/1135204203.db2.gz MDBLJWWGWPGBLN-QGZVFWFLSA-N 2 1 292.492 3.802 20 0 CHADMP Cc1cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cs1 ZINC001222172644 1135204616 /nfs/dbraw/zinc/20/46/16/1135204616.db2.gz MDBLJWWGWPGBLN-KRWDZBQOSA-N 2 1 292.492 3.802 20 0 CHADMP CC(C)c1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222237429 1135212411 /nfs/dbraw/zinc/21/24/11/1135212411.db2.gz JCLSZJZIBJAXNE-SFHVURJKSA-N 2 1 272.436 3.528 20 0 CHADMP CC(C)c1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222237429 1135212416 /nfs/dbraw/zinc/21/24/16/1135212416.db2.gz JCLSZJZIBJAXNE-SFHVURJKSA-N 2 1 272.436 3.528 20 0 CHADMP c1ccc2c(c1)cccc2C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222308007 1135221552 /nfs/dbraw/zinc/22/15/52/1135221552.db2.gz FDAIEJINEWWMNZ-FQEVSTJZSA-N 2 1 294.442 3.948 20 0 CHADMP Clc1ccsc1C[N@@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222308058 1135222131 /nfs/dbraw/zinc/22/21/31/1135222131.db2.gz GREYWRCAOJIFMD-CQSZACIVSA-N 2 1 284.856 3.510 20 0 CHADMP Clc1ccsc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222308058 1135222136 /nfs/dbraw/zinc/22/21/36/1135222136.db2.gz GREYWRCAOJIFMD-CQSZACIVSA-N 2 1 284.856 3.510 20 0 CHADMP c1ccc(CCCC[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1 ZINC001222309258 1135223386 /nfs/dbraw/zinc/22/33/86/1135223386.db2.gz PAXUTVZZYZWHLS-LJQANCHMSA-N 2 1 286.463 3.617 20 0 CHADMP Cc1[nH]c2ccccc2c1C[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385814 1135234550 /nfs/dbraw/zinc/23/45/50/1135234550.db2.gz XLPUPUMTPAQJMD-IBGZPJMESA-N 2 1 297.446 3.584 20 0 CHADMP Cc1[nH]c2ccccc2c1C[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385814 1135234552 /nfs/dbraw/zinc/23/45/52/1135234552.db2.gz XLPUPUMTPAQJMD-IBGZPJMESA-N 2 1 297.446 3.584 20 0 CHADMP c1c2ccccc2sc1C[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001226786301 1135741509 /nfs/dbraw/zinc/74/15/09/1135741509.db2.gz ZGPBKSWFURBYTP-UHFFFAOYSA-N 2 1 286.444 3.619 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000353688040 529806780 /nfs/dbraw/zinc/80/67/80/529806780.db2.gz NVAQHLLNIYEDMM-FHWLQOOXSA-N 2 1 284.447 3.526 20 0 CHADMP CCCC[C@@H](CC)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000574609373 335033625 /nfs/dbraw/zinc/03/36/25/335033625.db2.gz ACWYDXWHDILYKK-OAHLLOKOSA-N 2 1 254.462 3.619 20 0 CHADMP CCCC[C@@H](CC)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000574609373 335033626 /nfs/dbraw/zinc/03/36/26/335033626.db2.gz ACWYDXWHDILYKK-OAHLLOKOSA-N 2 1 254.462 3.619 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000187705786 260042457 /nfs/dbraw/zinc/04/24/57/260042457.db2.gz BWZBXTVZQLCQEC-CABCVRRESA-N 2 1 294.870 3.765 20 0 CHADMP CC[C@H](CSC)[N@@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000575095880 335064531 /nfs/dbraw/zinc/06/45/31/335064531.db2.gz ZVWBYGYSCMGIGF-GFCCVEGCSA-N 2 1 295.477 3.507 20 0 CHADMP C[C@H](C[NH2+][C@H](C)c1ccccc1F)C[NH+]1CCCCC1 ZINC000038041757 174043517 /nfs/dbraw/zinc/04/35/17/174043517.db2.gz JOCHEXROAUIRHR-HUUCEWRRSA-N 2 1 278.415 3.598 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)cs2)CC[C@@H]1[NH3+] ZINC000347041429 226023835 /nfs/dbraw/zinc/02/38/35/226023835.db2.gz KVZDQQHXPYQCHB-DYVFJYSZSA-N 2 1 286.444 3.584 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000575192475 335078375 /nfs/dbraw/zinc/07/83/75/335078375.db2.gz CRFGSBXEQNDDQY-YUIUBULTSA-N 2 1 295.430 3.531 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000575192475 335078376 /nfs/dbraw/zinc/07/83/76/335078376.db2.gz CRFGSBXEQNDDQY-YUIUBULTSA-N 2 1 295.430 3.531 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCc3occc32)C1 ZINC000192677669 227262587 /nfs/dbraw/zinc/26/25/87/227262587.db2.gz JTMBPZWVAHTFEE-NVXWUHKLSA-N 2 1 290.451 3.759 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]C1(C(F)F)CCCCC1 ZINC000352230670 228201863 /nfs/dbraw/zinc/20/18/63/228201863.db2.gz LSHZQMPSDDAORI-UHFFFAOYSA-N 2 1 285.382 3.529 20 0 CHADMP CC(C)[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000037318648 260086632 /nfs/dbraw/zinc/08/66/32/260086632.db2.gz ZEEZRTXGINLMST-SFHVURJKSA-N 2 1 272.436 3.600 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000037649101 260115401 /nfs/dbraw/zinc/11/54/01/260115401.db2.gz CPWICGKPQTUAFJ-GUYCJALGSA-N 2 1 292.854 3.865 20 0 CHADMP CSc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000091957341 260267163 /nfs/dbraw/zinc/26/71/63/260267163.db2.gz LTIWQEPGMDIPMM-NUEKZKHPSA-N 2 1 290.476 3.686 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000091959939 260267243 /nfs/dbraw/zinc/26/72/43/260267243.db2.gz GPADXURDIJDRIU-WQVCFCJDSA-N 2 1 280.843 3.863 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000091959939 260267244 /nfs/dbraw/zinc/26/72/44/260267244.db2.gz GPADXURDIJDRIU-WQVCFCJDSA-N 2 1 280.843 3.863 20 0 CHADMP CC[N@@H+](CC1CC[NH2+]CC1)[C@@H](C)c1cc2ccccc2o1 ZINC000094011149 260342916 /nfs/dbraw/zinc/34/29/16/260342916.db2.gz REOMFVWZZMWHLA-AWEZNQCLSA-N 2 1 286.419 3.815 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)c(C)s1 ZINC000052206014 261074803 /nfs/dbraw/zinc/07/48/03/261074803.db2.gz NCPJBZDHRZAGTO-HIFRSBDPSA-N 2 1 280.481 3.890 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccncc2)c1 ZINC000156517009 261124883 /nfs/dbraw/zinc/12/48/83/261124883.db2.gz ACHAWBHZNQSNFU-MRXNPFEDSA-N 2 1 297.446 3.773 20 0 CHADMP c1ccc(C([NH2+]CCC[NH+]2CCCC2)c2ccccc2)cc1 ZINC000177267676 261344348 /nfs/dbraw/zinc/34/43/48/261344348.db2.gz FHARTOPVJXKREJ-UHFFFAOYSA-N 2 1 294.442 3.852 20 0 CHADMP Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc[nH+]1 ZINC000302545940 261353838 /nfs/dbraw/zinc/35/38/38/261353838.db2.gz GXDZYMVGNYOAJX-LPHOPBHVSA-N 2 1 295.430 3.855 20 0 CHADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(F)F)cc2)C1 ZINC000183954649 262001659 /nfs/dbraw/zinc/00/16/59/262001659.db2.gz SLBRESPXCBYHBL-OAHLLOKOSA-N 2 1 296.405 3.788 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(F)F)cc2)C1 ZINC000183954649 262001662 /nfs/dbraw/zinc/00/16/62/262001662.db2.gz SLBRESPXCBYHBL-OAHLLOKOSA-N 2 1 296.405 3.788 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000183954649 262001663 /nfs/dbraw/zinc/00/16/63/262001663.db2.gz SLBRESPXCBYHBL-OAHLLOKOSA-N 2 1 296.405 3.788 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000183954649 262001665 /nfs/dbraw/zinc/00/16/65/262001665.db2.gz SLBRESPXCBYHBL-OAHLLOKOSA-N 2 1 296.405 3.788 20 0 CHADMP C[C@@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccoc1 ZINC000309729140 262007196 /nfs/dbraw/zinc/00/71/96/262007196.db2.gz OKVNALBFFCDKKO-APWZRJJASA-N 2 1 298.430 3.842 20 0 CHADMP C[C@@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccoc1 ZINC000309729140 262007197 /nfs/dbraw/zinc/00/71/97/262007197.db2.gz OKVNALBFFCDKKO-APWZRJJASA-N 2 1 298.430 3.842 20 0 CHADMP COc1ccsc1[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000186202197 262084601 /nfs/dbraw/zinc/08/46/01/262084601.db2.gz PVVAEIXEXINJKX-LBPRGKRZSA-N 2 1 296.480 3.670 20 0 CHADMP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cccs1 ZINC000019913257 262178246 /nfs/dbraw/zinc/17/82/46/262178246.db2.gz VBBVIXOTFQMKHE-HNNXBMFYSA-N 2 1 288.460 3.921 20 0 CHADMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cccs1 ZINC000019913257 262178247 /nfs/dbraw/zinc/17/82/47/262178247.db2.gz VBBVIXOTFQMKHE-HNNXBMFYSA-N 2 1 288.460 3.921 20 0 CHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCCC1 ZINC000390707925 262242640 /nfs/dbraw/zinc/24/26/40/262242640.db2.gz GUNJBPVGAZKDRY-SFHVURJKSA-N 2 1 286.463 3.819 20 0 CHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCCC1 ZINC000390707925 262242641 /nfs/dbraw/zinc/24/26/41/262242641.db2.gz GUNJBPVGAZKDRY-SFHVURJKSA-N 2 1 286.463 3.819 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCC23CCCC3)CC[N@@H+]1C ZINC000311429851 262249723 /nfs/dbraw/zinc/24/97/23/262249723.db2.gz CMKCGHFNZALTBR-OWCLPIDISA-N 2 1 264.457 3.562 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCC23CCCC3)CC[N@H+]1C ZINC000311429851 262249724 /nfs/dbraw/zinc/24/97/24/262249724.db2.gz CMKCGHFNZALTBR-OWCLPIDISA-N 2 1 264.457 3.562 20 0 CHADMP CC[C@H](C)[C@@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000020552314 262250339 /nfs/dbraw/zinc/25/03/39/262250339.db2.gz TYUXYVSIWYYNNQ-JKSUJKDBSA-N 2 1 262.441 3.533 20 0 CHADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC000221765954 262295794 /nfs/dbraw/zinc/29/57/94/262295794.db2.gz COIPWULODJFLQJ-AWEZNQCLSA-N 2 1 278.415 3.597 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1csc2ccccc12 ZINC000221781138 262296309 /nfs/dbraw/zinc/29/63/09/262296309.db2.gz ZKFNKEAGDCRVDL-UHFFFAOYSA-N 2 1 276.449 3.721 20 0 CHADMP CC(C)[N@@H+](C)CCCN[C@@H](C)c1cc2ccccc2o1 ZINC000221926690 262327924 /nfs/dbraw/zinc/32/79/24/262327924.db2.gz RVEWQPRVDKCSBF-AWEZNQCLSA-N 2 1 274.408 3.814 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000221926690 262327925 /nfs/dbraw/zinc/32/79/25/262327925.db2.gz RVEWQPRVDKCSBF-AWEZNQCLSA-N 2 1 274.408 3.814 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000221926690 262327926 /nfs/dbraw/zinc/32/79/26/262327926.db2.gz RVEWQPRVDKCSBF-AWEZNQCLSA-N 2 1 274.408 3.814 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(C)cc2)C2CCC2)C1 ZINC000187023595 262335228 /nfs/dbraw/zinc/33/52/28/262335228.db2.gz FRANYLXMAQJEJF-VQIMIIECSA-N 2 1 286.463 3.768 20 0 CHADMP CCC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000414188376 262815648 /nfs/dbraw/zinc/81/56/48/262815648.db2.gz QPMCBDZFVDLARZ-SJLPKXTDSA-N 2 1 274.452 3.849 20 0 CHADMP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c(C)c1 ZINC000414158044 262818448 /nfs/dbraw/zinc/81/84/48/262818448.db2.gz YUVSZFVDOUOEKT-OAHLLOKOSA-N 2 1 290.451 3.529 20 0 CHADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414700942 263032976 /nfs/dbraw/zinc/03/29/76/263032976.db2.gz KIEJHUTYGFMQEM-IJEWVQPXSA-N 2 1 294.870 3.591 20 0 CHADMP C[C@H]1C[C@@H](C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)CC[NH2+]1 ZINC000414758782 263039570 /nfs/dbraw/zinc/03/95/70/263039570.db2.gz CUJGXXUWOXFFSI-HNULKUCHSA-N 2 1 298.474 3.785 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CCc1ccc(Cl)s1 ZINC000414814208 263053449 /nfs/dbraw/zinc/05/34/49/263053449.db2.gz NLICMMDBTSHULN-NEPJUHHUSA-N 2 1 288.888 3.830 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000414817862 263053974 /nfs/dbraw/zinc/05/39/74/263053974.db2.gz UAGKSOUJVOMYLV-DOMZBBRYSA-N 2 1 268.832 3.551 20 0 CHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2cccc(C(F)F)c2)CC1 ZINC000279676100 263056857 /nfs/dbraw/zinc/05/68/57/263056857.db2.gz GBYTWCCLPNQZRP-UHFFFAOYSA-N 2 1 296.405 3.929 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)F)c2)CC1 ZINC000279676100 263056858 /nfs/dbraw/zinc/05/68/58/263056858.db2.gz GBYTWCCLPNQZRP-UHFFFAOYSA-N 2 1 296.405 3.929 20 0 CHADMP C[C@H](CCc1cccc(F)c1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414836045 263057113 /nfs/dbraw/zinc/05/71/13/263057113.db2.gz HXMGPZDKABPRTI-RDTXWAMCSA-N 2 1 292.442 3.644 20 0 CHADMP Fc1cc(-c2ccccc2)ccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414839371 263057646 /nfs/dbraw/zinc/05/76/46/263057646.db2.gz XIMYHSRUKIXZKN-HNNXBMFYSA-N 2 1 298.405 3.582 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3)cc2F)CC[NH2+]1 ZINC000414943594 263153134 /nfs/dbraw/zinc/15/31/34/263153134.db2.gz FORWZYNNUHSYAJ-RDTXWAMCSA-N 2 1 298.405 3.723 20 0 CHADMP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1Cl ZINC000415037641 263257096 /nfs/dbraw/zinc/25/70/96/263257096.db2.gz GXWQGOYLWYLEGX-WBVHZDCISA-N 2 1 292.854 3.612 20 0 CHADMP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1Cl ZINC000415037641 263257097 /nfs/dbraw/zinc/25/70/97/263257097.db2.gz GXWQGOYLWYLEGX-WBVHZDCISA-N 2 1 292.854 3.612 20 0 CHADMP c1ccc2cc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)ccc2c1 ZINC000415036704 263257221 /nfs/dbraw/zinc/25/72/21/263257221.db2.gz GCSCNTULBQCJHC-UXHICEINSA-N 2 1 294.442 3.804 20 0 CHADMP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1Cl ZINC000415060157 263258708 /nfs/dbraw/zinc/25/87/08/263258708.db2.gz YFIWACCCDQSLNV-NVXWUHKLSA-N 2 1 292.854 3.612 20 0 CHADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1Cl ZINC000415060157 263258709 /nfs/dbraw/zinc/25/87/09/263258709.db2.gz YFIWACCCDQSLNV-NVXWUHKLSA-N 2 1 292.854 3.612 20 0 CHADMP Cc1cc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c(C)s1 ZINC000453391563 263259953 /nfs/dbraw/zinc/25/99/53/263259953.db2.gz DTTQJTNXMDVMRV-ZDUSSCGKSA-N 2 1 280.481 3.890 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1Cl ZINC000415091258 263272310 /nfs/dbraw/zinc/27/23/10/263272310.db2.gz QDAVFYGHYLQATO-WDEREUQCSA-N 2 1 287.234 3.644 20 0 CHADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CCc4ccccc43)CC[NH2+]2)cc1 ZINC000415109504 263273051 /nfs/dbraw/zinc/27/30/51/263273051.db2.gz PQHVBZCXLMQLOD-HOJAQTOUSA-N 2 1 292.426 3.757 20 0 CHADMP Cc1cccc(CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000415120457 263274483 /nfs/dbraw/zinc/27/44/83/263274483.db2.gz YEVNBXXOIAFFEC-WOJBJXKFSA-N 2 1 294.442 3.620 20 0 CHADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000468555671 264955020 /nfs/dbraw/zinc/95/50/20/264955020.db2.gz SJBXFUQMHATHOP-NQYYFHDYSA-N 2 1 286.463 3.703 20 0 CHADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000468555671 264955024 /nfs/dbraw/zinc/95/50/24/264955024.db2.gz SJBXFUQMHATHOP-NQYYFHDYSA-N 2 1 286.463 3.703 20 0 CHADMP CCSc1ccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000344295959 265056438 /nfs/dbraw/zinc/05/64/38/265056438.db2.gz LBDHJVWNTPLXLF-AWEZNQCLSA-N 2 1 290.476 3.711 20 0 CHADMP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cc(F)cc(F)c1 ZINC000094826288 265259765 /nfs/dbraw/zinc/25/97/65/265259765.db2.gz JFZLWPZVHYLROB-CQSZACIVSA-N 2 1 296.405 3.737 20 0 CHADMP CC[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(C)cc1 ZINC000356818648 266179656 /nfs/dbraw/zinc/17/96/56/266179656.db2.gz WLKQQXMKSDSMRC-QZTJIDSGSA-N 2 1 274.452 3.910 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCCOc2cc(C)ccc21 ZINC000359274963 266558844 /nfs/dbraw/zinc/55/88/44/266558844.db2.gz BCIBSILIYVRKFH-QGZVFWFLSA-N 2 1 290.451 3.530 20 0 CHADMP CC1(C)Cc2occc2[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000370670580 267336733 /nfs/dbraw/zinc/33/67/33/267336733.db2.gz FCTCLJHIRJKVNE-IIAWOOMASA-N 2 1 288.435 3.510 20 0 CHADMP CC1(C)Cc2occc2[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000370670580 267336734 /nfs/dbraw/zinc/33/67/34/267336734.db2.gz FCTCLJHIRJKVNE-IIAWOOMASA-N 2 1 288.435 3.510 20 0 CHADMP CC[N@H+]1CC[C@H](NCc2ccc(-c3ccccc3)o2)[C@H](C)C1 ZINC000531683891 328021116 /nfs/dbraw/zinc/02/11/16/328021116.db2.gz SEJBQIMSLBZVEA-QAPCUYQASA-N 2 1 298.430 3.767 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3)o2)[C@H](C)C1 ZINC000531683891 328021119 /nfs/dbraw/zinc/02/11/19/328021119.db2.gz SEJBQIMSLBZVEA-QAPCUYQASA-N 2 1 298.430 3.767 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCCC1CCCC1 ZINC000531729108 328024245 /nfs/dbraw/zinc/02/42/45/328024245.db2.gz AEXJQQVMZIAYAH-HLLBOEOZSA-N 2 1 266.473 3.665 20 0 CHADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000401766741 328056845 /nfs/dbraw/zinc/05/68/45/328056845.db2.gz LXJHXHMUSODFAM-MSOLQXFVSA-N 2 1 289.467 3.691 20 0 CHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000401766747 328056874 /nfs/dbraw/zinc/05/68/74/328056874.db2.gz LXJHXHMUSODFAM-ZWKOTPCHSA-N 2 1 289.467 3.691 20 0 CHADMP CCC[N@H+](CCCc1c[nH+]cn1C)[C@H]1CCc2ccccc21 ZINC000563353153 328057293 /nfs/dbraw/zinc/05/72/93/328057293.db2.gz AWWNABRMARMFMR-IBGZPJMESA-N 2 1 297.446 3.752 20 0 CHADMP CCC[N@@H+](CCCc1c[nH+]cn1C)[C@H]1CCc2ccccc21 ZINC000563353153 328057294 /nfs/dbraw/zinc/05/72/94/328057294.db2.gz AWWNABRMARMFMR-IBGZPJMESA-N 2 1 297.446 3.752 20 0 CHADMP CCCC[C@H](CC)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000152085652 328062045 /nfs/dbraw/zinc/06/20/45/328062045.db2.gz HRTMHRRGUPOEQW-HRCADAONSA-N 2 1 254.462 3.523 20 0 CHADMP CC(C)Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000571328199 328108687 /nfs/dbraw/zinc/10/86/87/328108687.db2.gz KNEFIRAHUHFZEL-VQIMIIECSA-N 2 1 288.479 3.657 20 0 CHADMP CC(C)Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000571328199 328108688 /nfs/dbraw/zinc/10/86/88/328108688.db2.gz KNEFIRAHUHFZEL-VQIMIIECSA-N 2 1 288.479 3.657 20 0 CHADMP CC(C)Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000571328199 328108690 /nfs/dbraw/zinc/10/86/90/328108690.db2.gz KNEFIRAHUHFZEL-VQIMIIECSA-N 2 1 288.479 3.657 20 0 CHADMP CC(C)Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000571328199 328108692 /nfs/dbraw/zinc/10/86/92/328108692.db2.gz KNEFIRAHUHFZEL-VQIMIIECSA-N 2 1 288.479 3.657 20 0 CHADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000414652029 328208454 /nfs/dbraw/zinc/20/84/54/328208454.db2.gz CWSQRQWRRIAWHF-ISARSNTHSA-N 2 1 286.463 3.556 20 0 CHADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2cccc3ccccc32)CC[NH2+]1 ZINC000414672343 328212689 /nfs/dbraw/zinc/21/26/89/328212689.db2.gz HGYHZJRUUUNKJE-HOTGVXAUSA-N 2 1 282.431 3.660 20 0 CHADMP CC[N@@H+](Cc1ccc(-c2ccccc2)o1)[C@H]1CCC[NH2+]CC1 ZINC000414718489 328216697 /nfs/dbraw/zinc/21/66/97/328216697.db2.gz RVCIDVCMIKXCCS-KRWDZBQOSA-N 2 1 298.430 3.911 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(OC)c(Cl)c1 ZINC000531935286 328321707 /nfs/dbraw/zinc/32/17/07/328321707.db2.gz XXCMTWRZZIKUMC-ZDUSSCGKSA-N 2 1 298.858 3.731 20 0 CHADMP CC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C(C)C ZINC000531938343 328322271 /nfs/dbraw/zinc/32/22/71/328322271.db2.gz VZVXOSRJZXXYRP-CVEARBPZSA-N 2 1 254.462 3.665 20 0 CHADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000049553100 328371839 /nfs/dbraw/zinc/37/18/39/328371839.db2.gz NWGZSNPFWLFYJN-VXGBXAGGSA-N 2 1 288.357 3.696 20 0 CHADMP CCc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000049553337 328371869 /nfs/dbraw/zinc/37/18/69/328371869.db2.gz XRSPWHDNTCNNCH-UONOGXRCSA-N 2 1 288.435 3.986 20 0 CHADMP Cc1cc(CNCCC[N@@H+]2CCCC[C@@H]2C)c(C)s1 ZINC000049684894 328376261 /nfs/dbraw/zinc/37/62/61/328376261.db2.gz JPBKZUJGNLPWBJ-ZDUSSCGKSA-N 2 1 280.481 3.719 20 0 CHADMP Cc1cc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c(C)s1 ZINC000049684894 328376263 /nfs/dbraw/zinc/37/62/63/328376263.db2.gz JPBKZUJGNLPWBJ-ZDUSSCGKSA-N 2 1 280.481 3.719 20 0 CHADMP Cc1cc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c(C)s1 ZINC000049684894 328376265 /nfs/dbraw/zinc/37/62/65/328376265.db2.gz JPBKZUJGNLPWBJ-ZDUSSCGKSA-N 2 1 280.481 3.719 20 0 CHADMP CCCC[NH+]1CCC([NH2+]Cc2cc(C)sc2C)CC1 ZINC000049686589 328378115 /nfs/dbraw/zinc/37/81/15/328378115.db2.gz QKDCPOKBJRHCAN-UHFFFAOYSA-N 2 1 280.481 3.719 20 0 CHADMP CCCC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000050887695 328450633 /nfs/dbraw/zinc/45/06/33/328450633.db2.gz FZEXIEWTZRUCOH-QGZVFWFLSA-N 2 1 288.479 3.862 20 0 CHADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1occc1C ZINC000530714345 326887395 /nfs/dbraw/zinc/88/73/95/326887395.db2.gz LJGBAUUUFQNQDU-HZPDHXFCSA-N 2 1 278.440 3.578 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc3cc(C)ccc3o2)[C@H](C)C1 ZINC000557826379 327029502 /nfs/dbraw/zinc/02/95/02/327029502.db2.gz GEIJQTUARJFTIS-RHSMWYFYSA-N 2 1 286.419 3.561 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc3cc(C)ccc3o2)[C@H](C)C1 ZINC000557826379 327029504 /nfs/dbraw/zinc/02/95/04/327029504.db2.gz GEIJQTUARJFTIS-RHSMWYFYSA-N 2 1 286.419 3.561 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000262035460 327075697 /nfs/dbraw/zinc/07/56/97/327075697.db2.gz STFUFFOYWAOFKT-OTWHNJEPSA-N 2 1 298.405 3.704 20 0 CHADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000558251132 327081694 /nfs/dbraw/zinc/08/16/94/327081694.db2.gz LDGQHPYXSHBPIJ-NQYYFHDYSA-N 2 1 286.463 3.675 20 0 CHADMP Cc1ccncc1CCC[N@H+](C)[C@@H]1CCCC[C@H]1C ZINC000573249512 327129614 /nfs/dbraw/zinc/12/96/14/327129614.db2.gz NCDORRBPFFAMAA-NVXWUHKLSA-N 2 1 260.425 3.833 20 0 CHADMP C[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)C1CCCCC1 ZINC000559106900 327141472 /nfs/dbraw/zinc/14/14/72/327141472.db2.gz MCCAKZZLKVQAFI-HLLBOEOZSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)C1CCCCC1 ZINC000559106900 327141473 /nfs/dbraw/zinc/14/14/73/327141473.db2.gz MCCAKZZLKVQAFI-HLLBOEOZSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000559106900 327141474 /nfs/dbraw/zinc/14/14/74/327141474.db2.gz MCCAKZZLKVQAFI-HLLBOEOZSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000559106900 327141476 /nfs/dbraw/zinc/14/14/76/327141476.db2.gz MCCAKZZLKVQAFI-HLLBOEOZSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000559312780 327158131 /nfs/dbraw/zinc/15/81/31/327158131.db2.gz SYBRWUQEOYBEDZ-KZNAEPCWSA-N 2 1 278.484 3.621 20 0 CHADMP C[C@@H]1CCC[C@H](CC[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)C1 ZINC000559312780 327158133 /nfs/dbraw/zinc/15/81/33/327158133.db2.gz SYBRWUQEOYBEDZ-KZNAEPCWSA-N 2 1 278.484 3.621 20 0 CHADMP C[C@@H]1CCC[C@H](CC[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000559312780 327158135 /nfs/dbraw/zinc/15/81/35/327158135.db2.gz SYBRWUQEOYBEDZ-KZNAEPCWSA-N 2 1 278.484 3.621 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccc(Cl)cc2)[C@H](C)C1 ZINC000445207798 327171475 /nfs/dbraw/zinc/17/14/75/327171475.db2.gz CLLJYBUMURKIER-RHSMWYFYSA-N 2 1 294.870 3.545 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccc(Cl)cc2)[C@H](C)C1 ZINC000445207798 327171477 /nfs/dbraw/zinc/17/14/77/327171477.db2.gz CLLJYBUMURKIER-RHSMWYFYSA-N 2 1 294.870 3.545 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccc(Cl)cc2)[C@H](C)C1 ZINC000445207798 327171479 /nfs/dbraw/zinc/17/14/79/327171479.db2.gz CLLJYBUMURKIER-RHSMWYFYSA-N 2 1 294.870 3.545 20 0 CHADMP Cc1ccncc1CCC[N@H+]1C[C@@H](C)CCC[C@H]1C ZINC000569410336 327173879 /nfs/dbraw/zinc/17/38/79/327173879.db2.gz TUYQAGJTGCULMW-GOEBONIOSA-N 2 1 260.425 3.833 20 0 CHADMP CC(C)=CC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821648 327195572 /nfs/dbraw/zinc/19/55/72/327195572.db2.gz OSYDMOJNRJUOGA-UHFFFAOYSA-N 2 1 287.451 3.586 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2C=CCCCCC2)C1 ZINC000559796364 327262001 /nfs/dbraw/zinc/26/20/01/327262001.db2.gz SGAFGVHDJFABLI-IRXDYDNUSA-N 2 1 264.457 3.539 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2C=CCCCCC2)C1 ZINC000559796364 327262003 /nfs/dbraw/zinc/26/20/03/327262003.db2.gz SGAFGVHDJFABLI-IRXDYDNUSA-N 2 1 264.457 3.539 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2C=CCCCCC2)C1 ZINC000559796364 327262005 /nfs/dbraw/zinc/26/20/05/327262005.db2.gz SGAFGVHDJFABLI-IRXDYDNUSA-N 2 1 264.457 3.539 20 0 CHADMP Cc1oc2ccccc2c1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000262117680 327273860 /nfs/dbraw/zinc/27/38/60/327273860.db2.gz KIAWNJVCOGFVLD-UHFFFAOYSA-N 2 1 298.430 3.705 20 0 CHADMP CC(C)C(C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)C(C)C ZINC000560047598 327280477 /nfs/dbraw/zinc/28/04/77/327280477.db2.gz AROVMIWLGYQZSQ-INIZCTEOSA-N 2 1 268.489 3.625 20 0 CHADMP Cc1cccc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000560524564 327318184 /nfs/dbraw/zinc/31/81/84/327318184.db2.gz GFRPTWOGHWFFDD-NXWXRZEISA-N 2 1 286.463 3.561 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000564689922 327320891 /nfs/dbraw/zinc/32/08/91/327320891.db2.gz MXUKBTMIPWPJCA-SZMVWBNQSA-N 2 1 274.452 3.500 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000564689922 327320893 /nfs/dbraw/zinc/32/08/93/327320893.db2.gz MXUKBTMIPWPJCA-SZMVWBNQSA-N 2 1 274.452 3.500 20 0 CHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000562040242 327441666 /nfs/dbraw/zinc/44/16/66/327441666.db2.gz WSSMLNZFKNOXCZ-YSGRDPCXSA-N 2 1 298.474 3.990 20 0 CHADMP CC(C)[NH2+]CCC[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000570389142 327587929 /nfs/dbraw/zinc/58/79/29/327587929.db2.gz OKLMANBNPSZQAN-HNNXBMFYSA-N 2 1 296.842 3.531 20 0 CHADMP CC(C)[NH2+]C1CC[NH+](Cc2ccc(C3CCC3)cc2)CC1 ZINC000508014252 332831596 /nfs/dbraw/zinc/83/15/96/332831596.db2.gz QZIGSOODPCOILO-UHFFFAOYSA-N 2 1 286.463 3.917 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000582615277 329117897 /nfs/dbraw/zinc/11/78/97/329117897.db2.gz SOECEXAIEIINBR-CYBMUJFWSA-N 2 1 291.826 3.699 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000582615277 329117899 /nfs/dbraw/zinc/11/78/99/329117899.db2.gz SOECEXAIEIINBR-CYBMUJFWSA-N 2 1 291.826 3.699 20 0 CHADMP Cc1nc(C)c([C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)s1 ZINC000178220074 329194643 /nfs/dbraw/zinc/19/46/43/329194643.db2.gz ARKAAQNNRVQAQE-CYBMUJFWSA-N 2 1 297.512 3.919 20 0 CHADMP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc2ccccc2n1 ZINC000178305617 329195891 /nfs/dbraw/zinc/19/58/91/329195891.db2.gz SWNIMJSTWPOJNM-PVAVHDDUSA-N 2 1 297.446 3.758 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000178696852 329202421 /nfs/dbraw/zinc/20/24/21/329202421.db2.gz KROVYJOWWCJHBM-LSDHHAIUSA-N 2 1 285.435 3.741 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)oc3ccccc32)C1 ZINC000180043990 329214840 /nfs/dbraw/zinc/21/48/40/329214840.db2.gz SYEITWNHDMQBTQ-HNNXBMFYSA-N 2 1 286.419 3.515 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)oc3ccccc32)C1 ZINC000180043990 329214841 /nfs/dbraw/zinc/21/48/41/329214841.db2.gz SYEITWNHDMQBTQ-HNNXBMFYSA-N 2 1 286.419 3.515 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)oc3ccccc32)C1 ZINC000180043990 329214842 /nfs/dbraw/zinc/21/48/42/329214842.db2.gz SYEITWNHDMQBTQ-HNNXBMFYSA-N 2 1 286.419 3.515 20 0 CHADMP CCSc1cccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000186187425 329339041 /nfs/dbraw/zinc/33/90/41/329339041.db2.gz HQUDERBZXWRRKO-INIZCTEOSA-N 2 1 292.492 3.572 20 0 CHADMP CCSc1cccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000186187425 329339042 /nfs/dbraw/zinc/33/90/42/329339042.db2.gz HQUDERBZXWRRKO-INIZCTEOSA-N 2 1 292.492 3.572 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1sc(C(C)C)nc1C ZINC000131405038 329635759 /nfs/dbraw/zinc/63/57/59/329635759.db2.gz ICYJKGTVWSGOHJ-ZDUSSCGKSA-N 2 1 297.512 3.957 20 0 CHADMP C[C@](C[NH3+])([NH2+]CC1CCC(c2ccccc2)CC1)C1CC1 ZINC000420296297 329760338 /nfs/dbraw/zinc/76/03/38/329760338.db2.gz BJDZCUSPEMIDFO-GXOAENINSA-N 2 1 286.463 3.677 20 0 CHADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000432801296 330038146 /nfs/dbraw/zinc/03/81/46/330038146.db2.gz VIWFSUMFMQAXPT-ZACQAIPSSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCCCc1ccccc1 ZINC000162438782 330045669 /nfs/dbraw/zinc/04/56/69/330045669.db2.gz APSBMTLRAJVORJ-ZHALLVOQSA-N 2 1 288.479 3.718 20 0 CHADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000580431817 330131643 /nfs/dbraw/zinc/13/16/43/330131643.db2.gz JSOYCUOMFLNCNT-JTQLQIEISA-N 2 1 275.223 3.644 20 0 CHADMP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379616602 330142200 /nfs/dbraw/zinc/14/22/00/330142200.db2.gz CSJWTKLRWKRCLI-GJYPPUQNSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379616602 330142202 /nfs/dbraw/zinc/14/22/02/330142202.db2.gz CSJWTKLRWKRCLI-GJYPPUQNSA-N 2 1 286.463 3.818 20 0 CHADMP c1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc(C2CC2)c1 ZINC000422550835 330148996 /nfs/dbraw/zinc/14/89/96/330148996.db2.gz BZTDUNDNWPOYME-OALUTQOASA-N 2 1 284.447 3.528 20 0 CHADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000422751322 330153262 /nfs/dbraw/zinc/15/32/62/330153262.db2.gz BIDUINFKQROHAS-IVZWLZJFSA-N 2 1 275.223 3.770 20 0 CHADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000423241511 330181626 /nfs/dbraw/zinc/18/16/26/330181626.db2.gz YBIVARCJPHKSCG-YUMQZZPRSA-N 2 1 279.186 3.520 20 0 CHADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCC3CCCC3)CC[NH2+]2)cc1 ZINC000422801025 330155543 /nfs/dbraw/zinc/15/55/43/330155543.db2.gz DKCREMWILSLLIW-ROUUACIJSA-N 2 1 272.436 3.650 20 0 CHADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000423271374 330184707 /nfs/dbraw/zinc/18/47/07/330184707.db2.gz JBFHOQJXEYLVFO-ZANVPECISA-N 2 1 275.223 3.627 20 0 CHADMP C[C@H]([NH2+]C1CCC(c2ccccc2)CC1)c1c[nH+]ccc1N ZINC000422812478 330156174 /nfs/dbraw/zinc/15/61/74/330156174.db2.gz WJUPPILMXKULBH-OOHWJJMZSA-N 2 1 295.430 3.871 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)C(C)(C)C ZINC000422854545 330157703 /nfs/dbraw/zinc/15/77/03/330157703.db2.gz BAIFXRWEYZBINX-ZACQAIPSSA-N 2 1 274.452 3.894 20 0 CHADMP C(=C/c1ccccc1)\C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422972814 330164692 /nfs/dbraw/zinc/16/46/92/330164692.db2.gz AKFSUCSFSAISKM-YECZOLDGSA-N 2 1 292.426 3.783 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[C@@H](C)c2ccccc21)c1c[nH+]ccc1N ZINC000423007689 330165015 /nfs/dbraw/zinc/16/50/15/330165015.db2.gz YIOAIGGJQXJSRJ-FHSNZYRGSA-N 2 1 281.403 3.783 20 0 CHADMP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)c2ccccc21 ZINC000423089019 330169276 /nfs/dbraw/zinc/16/92/76/330169276.db2.gz UGRTWOWLEYSMKX-OTWHNJEPSA-N 2 1 296.389 3.938 20 0 CHADMP C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2Cl)C1)[C@H]1CCCC[NH2+]1 ZINC000423143215 330172698 /nfs/dbraw/zinc/17/26/98/330172698.db2.gz CPGZQBLFWVGRAD-VMUDFCTBSA-N 2 1 292.854 3.706 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(C)C)c1c[nH+]ccc1N ZINC000423171676 330174476 /nfs/dbraw/zinc/17/44/76/330174476.db2.gz PNAULGKKJNDWLN-MZMPZRCHSA-N 2 1 295.430 3.585 20 0 CHADMP CC(C)(C)[C@@H]([NH2+]C1CC[NH2+]CC1)c1cc2ccccc2o1 ZINC000423193802 330175925 /nfs/dbraw/zinc/17/59/25/330175925.db2.gz XBQBCRCFEIFGCQ-KRWDZBQOSA-N 2 1 286.419 3.862 20 0 CHADMP CCC[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)C1CCCC1 ZINC000423192673 330176090 /nfs/dbraw/zinc/17/60/90/330176090.db2.gz VQRIJZVHYXZQOO-SFHVURJKSA-N 2 1 289.467 3.510 20 0 CHADMP CC(C)[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(F)cn1 ZINC000423201411 330176811 /nfs/dbraw/zinc/17/68/11/330176811.db2.gz ONSIQDJMRKCFLX-MRXNPFEDSA-N 2 1 293.430 3.559 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(Cl)ccc1Cl ZINC000423215081 330178243 /nfs/dbraw/zinc/17/82/43/330178243.db2.gz QDTUIMFXTXONSJ-MNOVXSKESA-N 2 1 287.234 3.644 20 0 CHADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000423228203 330180482 /nfs/dbraw/zinc/18/04/82/330180482.db2.gz YSBVEYDHMBXSPW-IONNQARKSA-N 2 1 293.263 3.759 20 0 CHADMP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1Cl ZINC000423264508 330184137 /nfs/dbraw/zinc/18/41/37/330184137.db2.gz CCTDPDUVLUXFLA-SWLSCSKDSA-N 2 1 298.858 3.761 20 0 CHADMP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1Cl ZINC000423264509 330184174 /nfs/dbraw/zinc/18/41/74/330184174.db2.gz CCTDPDUVLUXFLA-WFASDCNBSA-N 2 1 298.858 3.761 20 0 CHADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](c1ccccc1)c1ccccc1C ZINC000423283062 330185732 /nfs/dbraw/zinc/18/57/32/330185732.db2.gz WZZUFZUFHWGAAY-BEFAXECRSA-N 2 1 282.431 3.530 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423283267 330185735 /nfs/dbraw/zinc/18/57/35/330185735.db2.gz FCCBAVMHBVGNJE-OAHLLOKOSA-N 2 1 297.446 3.917 20 0 CHADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000423284356 330185744 /nfs/dbraw/zinc/18/57/44/330185744.db2.gz YEZRPXKAPXQRGK-RISCZKNCSA-N 2 1 288.357 3.729 20 0 CHADMP CCC[C@@H]([NH2+]CC(C)(C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423282599 330185782 /nfs/dbraw/zinc/18/57/82/330185782.db2.gz CVKVHGKLRJQUCX-CYBMUJFWSA-N 2 1 288.357 3.874 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000423303799 330189008 /nfs/dbraw/zinc/18/90/08/330189008.db2.gz XNBOHTTXMUMCLG-IXDOHACOSA-N 2 1 274.452 3.676 20 0 CHADMP CCC[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000423309356 330189376 /nfs/dbraw/zinc/18/93/76/330189376.db2.gz ZFOMFHWISLQDNL-AWEZNQCLSA-N 2 1 287.234 3.644 20 0 CHADMP [NH3+][C@@H](C[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1)C1CC1 ZINC000423313548 330189765 /nfs/dbraw/zinc/18/97/65/330189765.db2.gz FULRGNUZMGMNSP-JKSUJKDBSA-N 2 1 278.827 3.508 20 0 CHADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(-c2ccccc2)cc1 ZINC000423320766 330190417 /nfs/dbraw/zinc/19/04/17/330190417.db2.gz MPTVAJWURFOCEH-KUHUBIRLSA-N 2 1 280.415 3.742 20 0 CHADMP Cc1ccc2cc([C@H](C)[NH2+]C[C@@]3(C)CCC[NH2+]C3)oc2c1 ZINC000423327155 330190604 /nfs/dbraw/zinc/19/06/04/330190604.db2.gz CXSXKBVHBQKWQB-KSSFIOAISA-N 2 1 286.419 3.782 20 0 CHADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(-c2cccs2)cc1 ZINC000423323178 330190658 /nfs/dbraw/zinc/19/06/58/330190658.db2.gz ONKXWJVQQZDCRY-LRDDRELGSA-N 2 1 286.444 3.803 20 0 CHADMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(SC2CCCC2)cc1 ZINC000423334695 330191462 /nfs/dbraw/zinc/19/14/62/330191462.db2.gz SJCFDMRBIBKPMK-OLZOCXBDSA-N 2 1 278.465 3.719 20 0 CHADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(-c2cccs2)cc1 ZINC000423343493 330192228 /nfs/dbraw/zinc/19/22/28/330192228.db2.gz ZWAKUWKEWJBBEY-ZDUSSCGKSA-N 2 1 286.444 3.947 20 0 CHADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000423361349 330193513 /nfs/dbraw/zinc/19/35/13/330193513.db2.gz AFBBUOXAMJMFSB-VBNZEHGJSA-N 2 1 280.843 3.693 20 0 CHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000423402518 330196241 /nfs/dbraw/zinc/19/62/41/330196241.db2.gz XVSZTESZXWFEQG-FPMFFAJLSA-N 2 1 272.392 3.532 20 0 CHADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cc(Cl)sc1Cl ZINC000423389814 330200346 /nfs/dbraw/zinc/20/03/46/330200346.db2.gz OKZZMJHDVUPZLN-YIZRAAEISA-N 2 1 293.263 3.975 20 0 CHADMP CC(C)Sc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000423447411 330202419 /nfs/dbraw/zinc/20/24/19/330202419.db2.gz OXNKEEAASZKYHD-AGIUHOORSA-N 2 1 266.454 3.573 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(OCc2ccccc2)cc1)[C@H](C)[NH3+] ZINC000423450198 330202944 /nfs/dbraw/zinc/20/29/44/330202944.db2.gz SQNUXXPOMRWULY-XHSDSOJGSA-N 2 1 298.430 3.652 20 0 CHADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2cccs2)cc1 ZINC000423452734 330203180 /nfs/dbraw/zinc/20/31/80/330203180.db2.gz WTONFGYPPBEIPB-UPJWGTAASA-N 2 1 274.433 3.801 20 0 CHADMP CC[C@@H]([NH3+])C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000423455628 330203580 /nfs/dbraw/zinc/20/35/80/330203580.db2.gz CUDCFYSZYOROPA-HUUCEWRRSA-N 2 1 266.816 3.508 20 0 CHADMP CCC[C@H]([NH2+]C[C@H]([NH3+])CC)c1ccc(Cl)cc1 ZINC000423486002 330206793 /nfs/dbraw/zinc/20/67/93/330206793.db2.gz ZJBMOBAWOMNXRT-KGLIPLIRSA-N 2 1 254.805 3.508 20 0 CHADMP CC[C@H]([NH3+])C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000423486663 330206799 /nfs/dbraw/zinc/20/67/99/330206799.db2.gz ZYDHIOQQRJMEHY-UONOGXRCSA-N 2 1 288.357 3.729 20 0 CHADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000423512504 330209310 /nfs/dbraw/zinc/20/93/10/330209310.db2.gz UTAMHPZYVBVSRF-IGCXYCKISA-N 2 1 294.870 3.939 20 0 CHADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423519104 330209718 /nfs/dbraw/zinc/20/97/18/330209718.db2.gz ZXJIBKXODXWJJL-BXUZGUMPSA-N 2 1 295.496 3.743 20 0 CHADMP C[C@H](C[NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(F)cc1 ZINC000527116833 330223253 /nfs/dbraw/zinc/22/32/53/330223253.db2.gz LAUAPSUSCLHHEP-HZPDHXFCSA-N 2 1 292.442 3.783 20 0 CHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]CC1(F)CC1 ZINC000527513424 330255768 /nfs/dbraw/zinc/25/57/68/330255768.db2.gz CURSHYODUAZQBB-HNNXBMFYSA-N 2 1 290.426 3.653 20 0 CHADMP CC[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000527763944 330281597 /nfs/dbraw/zinc/28/15/97/330281597.db2.gz NEKCUBAMPQZCCM-QYZOEREBSA-N 2 1 286.463 3.614 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC[N@@H+]1C ZINC000527869328 330286006 /nfs/dbraw/zinc/28/60/06/330286006.db2.gz QMHUPKLLQWQMDX-RSAASHCRSA-N 2 1 296.817 3.539 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC[N@H+]1C ZINC000527869328 330286007 /nfs/dbraw/zinc/28/60/07/330286007.db2.gz QMHUPKLLQWQMDX-RSAASHCRSA-N 2 1 296.817 3.539 20 0 CHADMP Cc1cccc([C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C(C)C)c1 ZINC000527848870 330288088 /nfs/dbraw/zinc/28/80/88/330288088.db2.gz KFSMMYVLWZLEQP-VQIMIIECSA-N 2 1 286.463 3.766 20 0 CHADMP CC[C@@H](CCc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000527850323 330288180 /nfs/dbraw/zinc/28/81/80/330288180.db2.gz WIHKSVBISIFBKD-KRWDZBQOSA-N 2 1 286.463 3.614 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC12CC2 ZINC000527851747 330288503 /nfs/dbraw/zinc/28/85/03/330288503.db2.gz AZMQRVFKZHPOSB-UHOSZYNNSA-N 2 1 298.474 3.677 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CC12CC2 ZINC000527872935 330290884 /nfs/dbraw/zinc/29/08/84/330290884.db2.gz UOPGUVLSLFUHNH-RNIPGJKVSA-N 2 1 298.474 3.818 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CC12CC2 ZINC000527872935 330290885 /nfs/dbraw/zinc/29/08/85/330290885.db2.gz UOPGUVLSLFUHNH-RNIPGJKVSA-N 2 1 298.474 3.818 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC12CC2 ZINC000527887971 330292027 /nfs/dbraw/zinc/29/20/27/330292027.db2.gz VEJRTLQROBQMLE-OGWHTMIXSA-N 2 1 298.474 3.675 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC12CC2 ZINC000527887970 330292060 /nfs/dbraw/zinc/29/20/60/330292060.db2.gz VEJRTLQROBQMLE-NBMJBFSESA-N 2 1 298.474 3.675 20 0 CHADMP C[C@H]1CC2(C[N@H+]1Cc1ccc3ccccc3c1)CC[NH2+]CC2 ZINC000424296793 330336282 /nfs/dbraw/zinc/33/62/82/330336282.db2.gz SIDVAWSFGGCXKN-INIZCTEOSA-N 2 1 294.442 3.804 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccccc1OC(F)F ZINC000424373299 330348363 /nfs/dbraw/zinc/34/83/63/330348363.db2.gz JMMVJYHHAZPKMJ-MGPQQGTHSA-N 2 1 298.377 3.599 20 0 CHADMP CCSc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424378157 330348852 /nfs/dbraw/zinc/34/88/52/330348852.db2.gz SJDPJAACAKAKTH-BPLDGKMQSA-N 2 1 278.465 3.719 20 0 CHADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])c2ccsc2S1 ZINC000424376849 330348873 /nfs/dbraw/zinc/34/88/73/330348873.db2.gz PZMYQHDCYSVGIA-WKSBVSIWSA-N 2 1 282.478 3.533 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc(C(F)(F)F)c1 ZINC000424378184 330348940 /nfs/dbraw/zinc/34/89/40/330348940.db2.gz SPTIISXWVPRKRB-ZLKJLUDKSA-N 2 1 286.341 3.626 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)C1 ZINC000536948471 330373087 /nfs/dbraw/zinc/37/30/87/330373087.db2.gz UMGWULUHYFZVDP-KSSFIOAISA-N 2 1 290.426 3.517 20 0 CHADMP Cc1cccc(C(C)(C)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000120801744 330392293 /nfs/dbraw/zinc/39/22/93/330392293.db2.gz DOJMZBUTYOCWBB-LZLYRXPVSA-N 2 1 288.479 3.591 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000120833903 330392804 /nfs/dbraw/zinc/39/28/04/330392804.db2.gz OFKHAABIMWXDQZ-MRXNPFEDSA-N 2 1 299.462 3.626 20 0 CHADMP CCC[C@H]([NH2+]CCCn1cc[nH+]c1C)C1CCCC1 ZINC000449093390 330898477 /nfs/dbraw/zinc/89/84/77/330898477.db2.gz WFHPRLCGXOJPIM-INIZCTEOSA-N 2 1 263.429 3.530 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC000450856551 331003115 /nfs/dbraw/zinc/00/31/15/331003115.db2.gz PCBUKDWRINAXRW-CQSZACIVSA-N 2 1 299.409 3.593 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC000450856551 331003116 /nfs/dbraw/zinc/00/31/16/331003116.db2.gz PCBUKDWRINAXRW-CQSZACIVSA-N 2 1 299.409 3.593 20 0 CHADMP C[N@H+]1CCC[C@@]2(CC[NH+](CC/C=C\c3ccccc3)C2)C1 ZINC000451065465 331014670 /nfs/dbraw/zinc/01/46/70/331014670.db2.gz ANJODZXWCCFKFU-HIZXUYSRSA-N 2 1 284.447 3.508 20 0 CHADMP C[NH+]1CCC[C@@]2(CC[N@H+](CC/C=C\c3ccccc3)C2)C1 ZINC000451065465 331014671 /nfs/dbraw/zinc/01/46/71/331014671.db2.gz ANJODZXWCCFKFU-HIZXUYSRSA-N 2 1 284.447 3.508 20 0 CHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CC/C=C\c3ccccc3)C2)C1 ZINC000451065465 331014672 /nfs/dbraw/zinc/01/46/72/331014672.db2.gz ANJODZXWCCFKFU-HIZXUYSRSA-N 2 1 284.447 3.508 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[C@@H](C)c2ccsc21 ZINC000453055292 331085054 /nfs/dbraw/zinc/08/50/54/331085054.db2.gz CKYVYZNQLIQYES-DOMZBBRYSA-N 2 1 289.448 3.871 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@@H](C)c3ccsc32)CC1 ZINC000453097637 331088976 /nfs/dbraw/zinc/08/89/76/331088976.db2.gz UTKQFNIGMTVRTB-DOMZBBRYSA-N 2 1 278.465 3.760 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000453116066 331090767 /nfs/dbraw/zinc/09/07/67/331090767.db2.gz XRHPIZQIATUCSR-CRAIPNDOSA-N 2 1 278.484 3.665 20 0 CHADMP CC(C)[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccccc1 ZINC000453391489 331127286 /nfs/dbraw/zinc/12/72/86/331127286.db2.gz DOFXJNHJMFSOTR-SFHVURJKSA-N 2 1 274.452 3.848 20 0 CHADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453393722 331127609 /nfs/dbraw/zinc/12/76/09/331127609.db2.gz FZZWUVNBMZUBOX-FZKQIMNGSA-N 2 1 290.426 3.523 20 0 CHADMP C[N@@H+](CCCC[NH2+]C1CCC2(CCCC2)CC1)C1CC1 ZINC000453397040 331128217 /nfs/dbraw/zinc/12/82/17/331128217.db2.gz JFDYCVJLHICNML-UHFFFAOYSA-N 2 1 278.484 3.953 20 0 CHADMP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccccc1OC ZINC000453406511 331129486 /nfs/dbraw/zinc/12/94/86/331129486.db2.gz RHSGLTAVCXIFMQ-QGZVFWFLSA-N 2 1 290.451 3.610 20 0 CHADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc2ccccc2o1 ZINC000453413637 331130101 /nfs/dbraw/zinc/13/01/01/331130101.db2.gz IBRQQKSCDCLZNX-AWEZNQCLSA-N 2 1 286.419 3.958 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CCC(F)(F)CC2)C[C@@H]1C ZINC000459372638 331278821 /nfs/dbraw/zinc/27/88/21/331278821.db2.gz ZIKBRORCIYZHQU-DZGCQCFKSA-N 2 1 288.426 3.617 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CCC(F)(F)CC2)C[C@@H]1C ZINC000459372638 331278822 /nfs/dbraw/zinc/27/88/22/331278822.db2.gz ZIKBRORCIYZHQU-DZGCQCFKSA-N 2 1 288.426 3.617 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2CCC(F)(F)CC2)C[C@@H]1C ZINC000459372638 331278823 /nfs/dbraw/zinc/27/88/23/331278823.db2.gz ZIKBRORCIYZHQU-DZGCQCFKSA-N 2 1 288.426 3.617 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000459427376 331280763 /nfs/dbraw/zinc/28/07/63/331280763.db2.gz NIXZWZXXGXIFKQ-QGZVFWFLSA-N 2 1 286.463 3.774 20 0 CHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000166175311 331306627 /nfs/dbraw/zinc/30/66/27/331306627.db2.gz ZFHAGFSUVFGDSJ-QWHCGFSZSA-N 2 1 280.481 3.605 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000462673500 331324857 /nfs/dbraw/zinc/32/48/57/331324857.db2.gz HVZOAVZIGNVRSE-BDXSIMOUSA-N 2 1 280.500 3.913 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)CC(C)(C)C1 ZINC000462751638 331327518 /nfs/dbraw/zinc/32/75/18/331327518.db2.gz ZSYGEPICBJHTPG-OWCLPIDISA-N 2 1 278.484 3.808 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)CC(C)(C)C1 ZINC000462751638 331327519 /nfs/dbraw/zinc/32/75/19/331327519.db2.gz ZSYGEPICBJHTPG-OWCLPIDISA-N 2 1 278.484 3.808 20 0 CHADMP C[C@@H]([NH2+]C[C@@H](C1CCCCC1)[NH+](C)C)C1CCSCC1 ZINC000474484462 331589403 /nfs/dbraw/zinc/58/94/03/331589403.db2.gz JPVBJUXGUUGONT-PBHICJAKSA-N 2 1 298.540 3.618 20 0 CHADMP C[NH+](C)CC[C@H]([NH2+]Cc1sccc1Cl)C(C)(C)C ZINC000487278251 331962529 /nfs/dbraw/zinc/96/25/29/331962529.db2.gz LUJRZELKDJGUCD-ZDUSSCGKSA-N 2 1 288.888 3.858 20 0 CHADMP CC(C)[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CS1 ZINC000488432046 332007814 /nfs/dbraw/zinc/00/78/14/332007814.db2.gz LGLOVZYLDVCOAO-ULQDDVLXSA-N 2 1 298.540 3.761 20 0 CHADMP CC(C)[C@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CS1 ZINC000488439323 332008754 /nfs/dbraw/zinc/00/87/54/332008754.db2.gz ZPLKLLWFILROQM-BRWVUGGUSA-N 2 1 298.540 3.618 20 0 CHADMP CCC(CC)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309884240 333051012 /nfs/dbraw/zinc/05/10/12/333051012.db2.gz YDSUTLRGJORWGJ-NVXWUHKLSA-N 2 1 274.452 3.675 20 0 CHADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000513964839 333055865 /nfs/dbraw/zinc/05/58/65/333055865.db2.gz OYLCKNCYGRQGOT-KRWDZBQOSA-N 2 1 278.415 3.695 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000513964839 333055866 /nfs/dbraw/zinc/05/58/66/333055866.db2.gz OYLCKNCYGRQGOT-KRWDZBQOSA-N 2 1 278.415 3.695 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000514077356 333064901 /nfs/dbraw/zinc/06/49/01/333064901.db2.gz PSZOSIALXXLHOR-FUHWJXTLSA-N 2 1 274.452 3.596 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)C2CCCCCC2)C1 ZINC000517439401 333099010 /nfs/dbraw/zinc/09/90/10/333099010.db2.gz WVHFOVUHAAVWAL-JKSUJKDBSA-N 2 1 266.473 3.665 20 0 CHADMP CC[C@@H]1Cc2ccccc2C[N@@H+]1CCCCn1cc[nH+]c1C ZINC000185795537 333148935 /nfs/dbraw/zinc/14/89/35/333148935.db2.gz GXSWKWLYVYVAAG-LJQANCHMSA-N 2 1 297.446 3.809 20 0 CHADMP CC[C@@H]1Cc2ccccc2C[N@H+]1CCCCn1cc[nH+]c1C ZINC000185795537 333148936 /nfs/dbraw/zinc/14/89/36/333148936.db2.gz GXSWKWLYVYVAAG-LJQANCHMSA-N 2 1 297.446 3.809 20 0 CHADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000186104795 333154959 /nfs/dbraw/zinc/15/49/59/333154959.db2.gz XWMDNTQVDOHRPN-QFBILLFUSA-N 2 1 298.474 3.755 20 0 CHADMP COc1ccsc1[C@@H](C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000186286010 333157993 /nfs/dbraw/zinc/15/79/93/333157993.db2.gz BGPZVJZHCMMIFK-UONOGXRCSA-N 2 1 296.480 3.672 20 0 CHADMP C[C@H](CCC1CC1)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000186498791 333162039 /nfs/dbraw/zinc/16/20/39/333162039.db2.gz GQYDRUHKGQBFHQ-BFYDXBDKSA-N 2 1 278.484 3.808 20 0 CHADMP C[N@@H+](CCC[NH2+]C/C=C\c1ccccc1)C1CCCCC1 ZINC000220556204 333167408 /nfs/dbraw/zinc/16/74/08/333167408.db2.gz QKKUMAGCQXRSRS-WQLSENKSSA-N 2 1 286.463 3.944 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](C)c1ccccc1 ZINC000191518526 333220838 /nfs/dbraw/zinc/22/08/38/333220838.db2.gz FUINJSPTPHUJFK-KRWDZBQOSA-N 2 1 299.462 3.961 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000191518526 333220839 /nfs/dbraw/zinc/22/08/39/333220839.db2.gz FUINJSPTPHUJFK-KRWDZBQOSA-N 2 1 299.462 3.961 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC34CCCC4)C2)cc1 ZINC000195136831 333246386 /nfs/dbraw/zinc/24/63/86/333246386.db2.gz PSNKLTMOBYPGRJ-RTBURBONSA-N 2 1 298.474 3.821 20 0 CHADMP C[C@H](CC1CCCCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000194251904 333267894 /nfs/dbraw/zinc/26/78/94/333267894.db2.gz UROLOEPFRDYNNB-HYVNUMGLSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1CCSCC1 ZINC000250064006 333302064 /nfs/dbraw/zinc/30/20/64/333302064.db2.gz NHJMVFMTNYLCHB-JKSUJKDBSA-N 2 1 298.540 3.762 20 0 CHADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1csc(Cl)c1 ZINC000230407498 333317909 /nfs/dbraw/zinc/31/79/09/333317909.db2.gz BDWNODFURYTGSC-GFCCVEGCSA-N 2 1 286.872 3.928 20 0 CHADMP CC(C)C1CCC([NH2+]CCC[N@@H+](C)C(C)C)CC1 ZINC000230639767 333319194 /nfs/dbraw/zinc/31/91/94/333319194.db2.gz YGLMVGKZDYCCNM-UHFFFAOYSA-N 2 1 254.462 3.521 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](CC(C)C)C2)CC1 ZINC000230770153 333321505 /nfs/dbraw/zinc/32/15/05/333321505.db2.gz YXTWKSQHRJCEJK-NVXWUHKLSA-N 2 1 266.473 3.665 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](CC(C)C)C2)C1 ZINC000230769287 333321564 /nfs/dbraw/zinc/32/15/64/333321564.db2.gz KQHOHIFLLAOTSL-GVDBMIGSSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000237474981 333379682 /nfs/dbraw/zinc/37/96/82/333379682.db2.gz HDNFLOXZISAEBP-HZPDHXFCSA-N 2 1 286.463 3.807 20 0 CHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000237526257 333379968 /nfs/dbraw/zinc/37/99/68/333379968.db2.gz JYSXLNXPBIDUCN-HOTGVXAUSA-N 2 1 286.463 3.949 20 0 CHADMP C[N@H+](Cc1ccc2ccccc2c1)C[C@H]1CCC[NH+](C)C1 ZINC000524970866 333394188 /nfs/dbraw/zinc/39/41/88/333394188.db2.gz CBEIWGUROZEONH-KRWDZBQOSA-N 2 1 282.431 3.613 20 0 CHADMP C[NH+](Cc1ccc2ccccc2c1)C[C@H]1CCC[N@H+](C)C1 ZINC000524970866 333394189 /nfs/dbraw/zinc/39/41/89/333394189.db2.gz CBEIWGUROZEONH-KRWDZBQOSA-N 2 1 282.431 3.613 20 0 CHADMP C[NH+](Cc1ccc2ccccc2c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000524970866 333394190 /nfs/dbraw/zinc/39/41/90/333394190.db2.gz CBEIWGUROZEONH-KRWDZBQOSA-N 2 1 282.431 3.613 20 0 CHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(Cl)s3)C2)CC1 ZINC000576028600 335143298 /nfs/dbraw/zinc/14/32/98/335143298.db2.gz MHCSANQWPISQKZ-CYBMUJFWSA-N 2 1 298.883 3.565 20 0 CHADMP CC[C@H]1CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000576112693 335156367 /nfs/dbraw/zinc/15/63/67/335156367.db2.gz QFXZUQKRGPWWEB-BGVWBIDGSA-N 2 1 298.474 3.960 20 0 CHADMP C[C@@H](CC[NH2+][C@@H](C)c1ccc(F)c(F)c1)[NH+]1CCCCC1 ZINC000542486431 333827606 /nfs/dbraw/zinc/82/76/06/333827606.db2.gz IUZQCPYKWBVHPN-KBPBESRZSA-N 2 1 296.405 3.880 20 0 CHADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000546019566 334012899 /nfs/dbraw/zinc/01/28/99/334012899.db2.gz XXDDPCFBAKGQOJ-AEFFLSMTSA-N 2 1 286.463 3.612 20 0 CHADMP CCCC[C@@H](CC)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000546931836 334055931 /nfs/dbraw/zinc/05/59/31/334055931.db2.gz CXFWYHWZRPPHNJ-MRXNPFEDSA-N 2 1 266.473 3.763 20 0 CHADMP CCCC[C@@H](CC)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000546931836 334055932 /nfs/dbraw/zinc/05/59/32/334055932.db2.gz CXFWYHWZRPPHNJ-MRXNPFEDSA-N 2 1 266.473 3.763 20 0 CHADMP CCC[C@@H]1CCCC[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000547832339 334124925 /nfs/dbraw/zinc/12/49/25/334124925.db2.gz SSUJPSAWHXWFOZ-CVEARBPZSA-N 2 1 263.429 3.530 20 0 CHADMP COc1cccc([C@H](C)[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000079464998 334155003 /nfs/dbraw/zinc/15/50/03/334155003.db2.gz GVYUFSDKAQNGDD-RDJZCZTQSA-N 2 1 290.451 3.562 20 0 CHADMP C([NH2+][C@@H]1CCC[C@H]2C[C@H]21)[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000548883131 334178672 /nfs/dbraw/zinc/17/86/72/334178672.db2.gz XNJOCHRPVWKKKX-DZJNRPSUSA-N 2 1 276.468 3.562 20 0 CHADMP C[C@@H](CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21)[N@@H+](C)Cc1ccccc1 ZINC000548884505 334178986 /nfs/dbraw/zinc/17/89/86/334178986.db2.gz PQPYCSZNZIBECX-GDAAHCPNSA-N 2 1 286.463 3.675 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](CC)c2ccccc2)C1 ZINC000245417491 334191004 /nfs/dbraw/zinc/19/10/04/334191004.db2.gz GBMQPWYONNCEER-SJLPKXTDSA-N 2 1 274.452 3.801 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](CC)c2ccccc2)C1 ZINC000245417491 334191006 /nfs/dbraw/zinc/19/10/06/334191006.db2.gz GBMQPWYONNCEER-SJLPKXTDSA-N 2 1 274.452 3.801 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](CC)c2ccccc2)C1 ZINC000245417491 334191008 /nfs/dbraw/zinc/19/10/08/334191008.db2.gz GBMQPWYONNCEER-SJLPKXTDSA-N 2 1 274.452 3.801 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CCN([C@H](C)c2ccc(F)c(F)c2)C1 ZINC000245432211 334192726 /nfs/dbraw/zinc/19/27/26/334192726.db2.gz OMGXITYEPYBKEC-ZIAGYGMSSA-N 2 1 296.405 3.690 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000245461185 334195078 /nfs/dbraw/zinc/19/50/78/334195078.db2.gz WGBYKPMHSAPOTN-YOEHRIQHSA-N 2 1 278.415 3.550 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000245461185 334195079 /nfs/dbraw/zinc/19/50/79/334195079.db2.gz WGBYKPMHSAPOTN-YOEHRIQHSA-N 2 1 278.415 3.550 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000245461185 334195081 /nfs/dbraw/zinc/19/50/81/334195081.db2.gz WGBYKPMHSAPOTN-YOEHRIQHSA-N 2 1 278.415 3.550 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000245461185 334195082 /nfs/dbraw/zinc/19/50/82/334195082.db2.gz WGBYKPMHSAPOTN-YOEHRIQHSA-N 2 1 278.415 3.550 20 0 CHADMP Cc1ccccc1C(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000246947630 334272398 /nfs/dbraw/zinc/27/23/98/334272398.db2.gz IAFKTJFZJRWGAF-SOLBZPMBSA-N 2 1 288.479 3.591 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C/C(C)=C/c2ccccc2)[C@@H](C)C1 ZINC000245779140 334219236 /nfs/dbraw/zinc/21/92/36/334219236.db2.gz TZACIYWDEMMGGA-PMNOOLIMSA-N 2 1 286.463 3.752 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C/C(C)=C/c2ccccc2)[C@@H](C)C1 ZINC000245779140 334219238 /nfs/dbraw/zinc/21/92/38/334219238.db2.gz TZACIYWDEMMGGA-PMNOOLIMSA-N 2 1 286.463 3.752 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C/C(C)=C/c2ccccc2)[C@@H](C)C1 ZINC000245779140 334219240 /nfs/dbraw/zinc/21/92/40/334219240.db2.gz TZACIYWDEMMGGA-PMNOOLIMSA-N 2 1 286.463 3.752 20 0 CHADMP CC(C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550611894 334225287 /nfs/dbraw/zinc/22/52/87/334225287.db2.gz DQRHSCCCVJASRD-MSOLQXFVSA-N 2 1 274.452 3.848 20 0 CHADMP CC(C)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550611894 334225289 /nfs/dbraw/zinc/22/52/89/334225289.db2.gz DQRHSCCCVJASRD-MSOLQXFVSA-N 2 1 274.452 3.848 20 0 CHADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000247007024 334273857 /nfs/dbraw/zinc/27/38/57/334273857.db2.gz LYGMBDLOXJPNDT-IAGOWNOFSA-N 2 1 266.473 3.831 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccccc2)C(C)C)C1 ZINC000246013527 334227903 /nfs/dbraw/zinc/22/79/03/334227903.db2.gz KOWXAGZKQLBOGK-AEFFLSMTSA-N 2 1 274.452 3.705 20 0 CHADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550976993 334235283 /nfs/dbraw/zinc/23/52/83/334235283.db2.gz NHICHBNLMJDWDM-OQIJWPOYSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550976993 334235284 /nfs/dbraw/zinc/23/52/84/334235284.db2.gz NHICHBNLMJDWDM-OQIJWPOYSA-N 2 1 286.463 3.990 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)C)C[C@H]1c1ccccc1 ZINC000551007956 334236139 /nfs/dbraw/zinc/23/61/39/334236139.db2.gz QXVUAMPQWLZSTP-IRXDYDNUSA-N 2 1 274.452 3.848 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CCC(C)(C)C)C[C@H]1c1ccccc1 ZINC000551007956 334236140 /nfs/dbraw/zinc/23/61/40/334236140.db2.gz QXVUAMPQWLZSTP-IRXDYDNUSA-N 2 1 274.452 3.848 20 0 CHADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246220749 334241896 /nfs/dbraw/zinc/24/18/96/334241896.db2.gz ZFNGZXXUYJZAFD-STQMWFEESA-N 2 1 298.833 3.814 20 0 CHADMP C[C@@H](c1ccc(F)c(Cl)c1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246220749 334241897 /nfs/dbraw/zinc/24/18/97/334241897.db2.gz ZFNGZXXUYJZAFD-STQMWFEESA-N 2 1 298.833 3.814 20 0 CHADMP C[C@@H](c1ccc(F)c(Cl)c1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246220749 334241898 /nfs/dbraw/zinc/24/18/98/334241898.db2.gz ZFNGZXXUYJZAFD-STQMWFEESA-N 2 1 298.833 3.814 20 0 CHADMP CC1=CC[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000551268313 334244251 /nfs/dbraw/zinc/24/42/51/334244251.db2.gz VHIKRBGYTFBYGZ-IAGOWNOFSA-N 2 1 264.457 3.587 20 0 CHADMP CC(C)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000247132811 334276080 /nfs/dbraw/zinc/27/60/80/334276080.db2.gz RTVOBBMZPNCEML-KCITZHQASA-N 2 1 288.479 3.745 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CC[N@@H+]1C ZINC000246903245 334271567 /nfs/dbraw/zinc/27/15/67/334271567.db2.gz FYEBLLOTCGZMEA-WCVJEAGWSA-N 2 1 266.473 3.664 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CC[N@H+]1C ZINC000246903245 334271569 /nfs/dbraw/zinc/27/15/69/334271569.db2.gz FYEBLLOTCGZMEA-WCVJEAGWSA-N 2 1 266.473 3.664 20 0 CHADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000247165509 334276901 /nfs/dbraw/zinc/27/69/01/334276901.db2.gz YCXFRKNUXWNZQG-ARFHVFGLSA-N 2 1 294.508 3.984 20 0 CHADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000247165509 334276902 /nfs/dbraw/zinc/27/69/02/334276902.db2.gz YCXFRKNUXWNZQG-ARFHVFGLSA-N 2 1 294.508 3.984 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC000247519326 334284114 /nfs/dbraw/zinc/28/41/14/334284114.db2.gz NGXXPTWTQRWAJC-CABCVRRESA-N 2 1 278.415 3.550 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC000247519326 334284115 /nfs/dbraw/zinc/28/41/15/334284115.db2.gz NGXXPTWTQRWAJC-CABCVRRESA-N 2 1 278.415 3.550 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCCC(F)(F)F ZINC000552098524 334289369 /nfs/dbraw/zinc/28/93/69/334289369.db2.gz GCTSPXVQIXIMHU-STQMWFEESA-N 2 1 280.378 3.572 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCCC(F)(F)F ZINC000552098524 334289370 /nfs/dbraw/zinc/28/93/70/334289370.db2.gz GCTSPXVQIXIMHU-STQMWFEESA-N 2 1 280.378 3.572 20 0 CHADMP CCCC[C@H](CC)C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000247946520 334292131 /nfs/dbraw/zinc/29/21/31/334292131.db2.gz HRTMHRRGUPOEQW-PMPSAXMXSA-N 2 1 254.462 3.523 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000248135326 334295702 /nfs/dbraw/zinc/29/57/02/334295702.db2.gz XIXQHQXYKPJGBN-MOPGFXCFSA-N 2 1 286.463 3.740 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000248135326 334295703 /nfs/dbraw/zinc/29/57/03/334295703.db2.gz XIXQHQXYKPJGBN-MOPGFXCFSA-N 2 1 286.463 3.740 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(F)c(F)c2)C(C)C)C1 ZINC000248459375 334302863 /nfs/dbraw/zinc/30/28/63/334302863.db2.gz VPNVOHIPIUZNPO-DYVFJYSZSA-N 2 1 296.405 3.593 20 0 CHADMP Cc1ccc(SC[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000248653734 334311059 /nfs/dbraw/zinc/31/10/59/334311059.db2.gz ZHGUTISOVCOGEZ-HRCADAONSA-N 2 1 292.492 3.548 20 0 CHADMP Cc1ccc(SC[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000248653734 334311061 /nfs/dbraw/zinc/31/10/61/334311061.db2.gz ZHGUTISOVCOGEZ-HRCADAONSA-N 2 1 292.492 3.548 20 0 CHADMP C[C@@H]1CCCc2ccccc2[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000248749139 334316021 /nfs/dbraw/zinc/31/60/21/334316021.db2.gz FRBTUEWMQXWMNC-PHXBYCTMSA-N 2 1 298.474 3.917 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC[C@H](C)c2ccccc2)C1 ZINC000248883084 334320537 /nfs/dbraw/zinc/32/05/37/334320537.db2.gz LGAADYDXDSBSLC-ZWKOTPCHSA-N 2 1 288.479 3.844 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC[C@H](C)c2ccccc2)C1 ZINC000248883084 334320539 /nfs/dbraw/zinc/32/05/39/334320539.db2.gz LGAADYDXDSBSLC-ZWKOTPCHSA-N 2 1 288.479 3.844 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC[C@H](C)c2ccccc2)C1 ZINC000248883084 334320541 /nfs/dbraw/zinc/32/05/41/334320541.db2.gz LGAADYDXDSBSLC-ZWKOTPCHSA-N 2 1 288.479 3.844 20 0 CHADMP c1[nH+]c(NC2CC[NH+](C3CCCCC3)CC2)cc2c1CCC2 ZINC000552407734 334324666 /nfs/dbraw/zinc/32/46/66/334324666.db2.gz BAXBQCNZVROMKR-UHFFFAOYSA-N 2 1 299.462 3.779 20 0 CHADMP C[C@H](CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)CC(C)(C)C ZINC000249046439 334325545 /nfs/dbraw/zinc/32/55/45/334325545.db2.gz FEANMLREAKOAAN-PMPSAXMXSA-N 2 1 266.473 3.665 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@H]3CCC34CCCC4)C2)cc1 ZINC000249107058 334327908 /nfs/dbraw/zinc/32/79/08/334327908.db2.gz PSNKLTMOBYPGRJ-OALUTQOASA-N 2 1 298.474 3.821 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc3ccccc32)C1 ZINC000249381937 334332889 /nfs/dbraw/zinc/33/28/89/334332889.db2.gz SFIMVMBBGGQFLF-CVEARBPZSA-N 2 1 282.431 3.832 20 0 CHADMP Cc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1C ZINC000251087385 334356225 /nfs/dbraw/zinc/35/62/25/334356225.db2.gz YPHOIXGKOZGCRR-BZSNNMDCSA-N 2 1 286.463 3.889 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251529297 334363331 /nfs/dbraw/zinc/36/33/31/334363331.db2.gz MLSPGLUPEYHFHD-KHYOSLBOSA-N 2 1 282.431 3.960 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccsc2)C1 ZINC000090586766 334364026 /nfs/dbraw/zinc/36/40/26/334364026.db2.gz OAMOTTYSQJUEEX-LSDHHAIUSA-N 2 1 280.481 3.767 20 0 CHADMP CC[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000251836236 334370515 /nfs/dbraw/zinc/37/05/15/334370515.db2.gz QJEQWJZAQUSFNI-BFZKSOEOSA-N 2 1 264.457 3.560 20 0 CHADMP CC[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000251836236 334370516 /nfs/dbraw/zinc/37/05/16/334370516.db2.gz QJEQWJZAQUSFNI-BFZKSOEOSA-N 2 1 264.457 3.560 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000091320993 334376339 /nfs/dbraw/zinc/37/63/39/334376339.db2.gz WTIMKTRUGABYJV-KXBFYZLASA-N 2 1 297.446 3.877 20 0 CHADMP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CC[C@H]4CCCC[C@@H]4C3)CC[N@H+]2C1 ZINC000252673289 334384863 /nfs/dbraw/zinc/38/48/63/334384863.db2.gz IMEUTJXEPMANOL-DUQPFJRNSA-N 2 1 276.468 3.562 20 0 CHADMP Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc2[nH+]1 ZINC000252672767 334384928 /nfs/dbraw/zinc/38/49/28/334384928.db2.gz CLCRTMQQNNFDOG-CABCVRRESA-N 2 1 281.403 3.582 20 0 CHADMP c1ccc2c(c1)cccc2C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252675205 334385127 /nfs/dbraw/zinc/38/51/27/334385127.db2.gz YEBHGXOGWBBTCD-ROUUACIJSA-N 2 1 280.415 3.556 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC000252730752 334387714 /nfs/dbraw/zinc/38/77/14/334387714.db2.gz MSNICOWNBXQWGF-RDHHWEPZSA-N 2 1 280.500 3.769 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2ccco2)cc1 ZINC000155973903 334732725 /nfs/dbraw/zinc/73/27/25/334732725.db2.gz AERPDWDWLBXXLL-CQSZACIVSA-N 2 1 295.386 3.667 20 0 CHADMP CCc1ccc([C@@H](CC)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000344295535 335246432 /nfs/dbraw/zinc/24/64/32/335246432.db2.gz UCPVJACJQFJIMY-GOSISDBHSA-N 2 1 272.436 3.552 20 0 CHADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000576777478 335246893 /nfs/dbraw/zinc/24/68/93/335246893.db2.gz RYEPYFXXZDPPFA-NQYYFHDYSA-N 2 1 286.463 3.818 20 0 CHADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000576777478 335246894 /nfs/dbraw/zinc/24/68/94/335246894.db2.gz RYEPYFXXZDPPFA-NQYYFHDYSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@@H](CC[NH2+][C@@H]1CCCc2occc21)[NH+]1CCCCC1 ZINC000193281489 335301539 /nfs/dbraw/zinc/30/15/39/335301539.db2.gz SENRIIZIXHDQRH-GOEBONIOSA-N 2 1 276.424 3.511 20 0 CHADMP F[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000577177049 335316582 /nfs/dbraw/zinc/31/65/82/335316582.db2.gz AKQQXVOZRZOPMA-AEFFLSMTSA-N 2 1 290.426 3.521 20 0 CHADMP CC(C)=CCC[C@H](C)CC[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000192947247 335329091 /nfs/dbraw/zinc/32/90/91/335329091.db2.gz KWNIVFRXWAOBRM-IRXDYDNUSA-N 2 1 278.484 3.833 20 0 CHADMP Cc1cc(Cl)cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000577477346 335356508 /nfs/dbraw/zinc/35/65/08/335356508.db2.gz QKGXSRPUFJTOLJ-SJPCQFCGSA-N 2 1 292.854 3.705 20 0 CHADMP Cc1cc(Cl)cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000577477346 335356509 /nfs/dbraw/zinc/35/65/09/335356509.db2.gz QKGXSRPUFJTOLJ-SJPCQFCGSA-N 2 1 292.854 3.705 20 0 CHADMP Cc1cc(Cl)cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000577477346 335356510 /nfs/dbraw/zinc/35/65/10/335356510.db2.gz QKGXSRPUFJTOLJ-SJPCQFCGSA-N 2 1 292.854 3.705 20 0 CHADMP Cc1cc(Cl)cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000577477346 335356512 /nfs/dbraw/zinc/35/65/12/335356512.db2.gz QKGXSRPUFJTOLJ-SJPCQFCGSA-N 2 1 292.854 3.705 20 0 CHADMP CC(C)CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C(C)(C)C ZINC000581154168 336016553 /nfs/dbraw/zinc/01/65/53/336016553.db2.gz CAWHQAVNMDHJGP-HOTGVXAUSA-N 2 1 268.489 3.769 20 0 CHADMP C[N@H+]1CCC[C@@H](CNC2c3ccccc3-c3ccccc32)C1 ZINC000194990308 336042071 /nfs/dbraw/zinc/04/20/71/336042071.db2.gz HEYJHRICNYKJDY-HNNXBMFYSA-N 2 1 292.426 3.688 20 0 CHADMP C[N@@H+]1CCC[C@@H](C[NH2+]C2c3ccccc3-c3ccccc32)C1 ZINC000194990308 336042072 /nfs/dbraw/zinc/04/20/72/336042072.db2.gz HEYJHRICNYKJDY-HNNXBMFYSA-N 2 1 292.426 3.688 20 0 CHADMP CC(C)C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1cccs1 ZINC000581496399 336089941 /nfs/dbraw/zinc/08/99/41/336089941.db2.gz CGZPDXZXFUKUPH-OAHLLOKOSA-N 2 1 291.464 3.791 20 0 CHADMP c1csc([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000581829427 336148885 /nfs/dbraw/zinc/14/88/85/336148885.db2.gz RVISAMJCNGDGJG-QGZVFWFLSA-N 2 1 298.455 3.731 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000386687375 336177360 /nfs/dbraw/zinc/17/73/60/336177360.db2.gz KNQOGGBYOBBQSR-IDHHARJASA-N 2 1 280.415 3.585 20 0 CHADMP CC(C)(C)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000149735820 519031709 /nfs/dbraw/zinc/03/17/09/519031709.db2.gz QZAFOWNHQHTNAD-UONOGXRCSA-N 2 1 292.492 3.762 20 0 CHADMP CC(C)[NH+](CCSCC[C@@H]1CCCC[N@H+]1C)C(C)C ZINC000340702487 519650525 /nfs/dbraw/zinc/65/05/25/519650525.db2.gz BPEJYNICCMQLJG-INIZCTEOSA-N 2 1 286.529 3.713 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000161608294 519846775 /nfs/dbraw/zinc/84/67/75/519846775.db2.gz UBKTWMBNCPVCPU-MRXNPFEDSA-N 2 1 290.451 3.757 20 0 CHADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2cccc(OC)c2)CC1 ZINC000037150436 520578054 /nfs/dbraw/zinc/57/80/54/520578054.db2.gz IHVUJJUVVCDMDH-OAHLLOKOSA-N 2 1 290.451 3.610 20 0 CHADMP CC1CCC([N@@H+](CC[C@H]2CCC[NH+]2C)C2CC2)CC1 ZINC000340367940 520937073 /nfs/dbraw/zinc/93/70/73/520937073.db2.gz CLHYNKZXCWLPSL-HWOWSKLDSA-N 2 1 264.457 3.514 20 0 CHADMP CC1CCC([NH+](CC[C@H]2CCC[N@@H+]2C)C2CC2)CC1 ZINC000340367940 520937078 /nfs/dbraw/zinc/93/70/78/520937078.db2.gz CLHYNKZXCWLPSL-HWOWSKLDSA-N 2 1 264.457 3.514 20 0 CHADMP CC1CCC([NH+](CC[C@H]2CCC[N@H+]2C)C2CC2)CC1 ZINC000340367940 520937083 /nfs/dbraw/zinc/93/70/83/520937083.db2.gz CLHYNKZXCWLPSL-HWOWSKLDSA-N 2 1 264.457 3.514 20 0 CHADMP CC[N@H+](CC[C@H]1CCC[NH+]1C)Cc1cccc(Cl)c1 ZINC000340373361 521160255 /nfs/dbraw/zinc/16/02/55/521160255.db2.gz MTTULIUQVJZACM-MRXNPFEDSA-N 2 1 280.843 3.646 20 0 CHADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1cccc(Cl)c1 ZINC000340373361 521160269 /nfs/dbraw/zinc/16/02/69/521160269.db2.gz MTTULIUQVJZACM-MRXNPFEDSA-N 2 1 280.843 3.646 20 0 CHADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1cccc(Cl)c1 ZINC000340373361 521160280 /nfs/dbraw/zinc/16/02/80/521160280.db2.gz MTTULIUQVJZACM-MRXNPFEDSA-N 2 1 280.843 3.646 20 0 CHADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1cccc(Cl)c1 ZINC000340373361 521160290 /nfs/dbraw/zinc/16/02/90/521160290.db2.gz MTTULIUQVJZACM-MRXNPFEDSA-N 2 1 280.843 3.646 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000275440357 521580224 /nfs/dbraw/zinc/58/02/24/521580224.db2.gz FANZXEGIJWWEEA-MAUKXSAKSA-N 2 1 290.426 3.536 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1CC=CCC1 ZINC000290498792 521662870 /nfs/dbraw/zinc/66/28/70/521662870.db2.gz PAHNKINJSNUFCF-MRXNPFEDSA-N 2 1 275.440 3.514 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000290498792 521662873 /nfs/dbraw/zinc/66/28/73/521662873.db2.gz PAHNKINJSNUFCF-MRXNPFEDSA-N 2 1 275.440 3.514 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(C(F)F)cc2)CC1 ZINC000277052620 522041664 /nfs/dbraw/zinc/04/16/64/522041664.db2.gz CMLYEXBNAITNND-OAHLLOKOSA-N 2 1 282.378 3.540 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(C(F)F)cc2)CC1 ZINC000277052620 522041676 /nfs/dbraw/zinc/04/16/76/522041676.db2.gz CMLYEXBNAITNND-OAHLLOKOSA-N 2 1 282.378 3.540 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1cccc(Cl)c1F ZINC000161583085 522632718 /nfs/dbraw/zinc/63/27/18/522632718.db2.gz KBADQAPVVQFURU-DOMZBBRYSA-N 2 1 298.833 3.862 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cccc(Cl)c1F ZINC000161583085 522632729 /nfs/dbraw/zinc/63/27/29/522632729.db2.gz KBADQAPVVQFURU-DOMZBBRYSA-N 2 1 298.833 3.862 20 0 CHADMP C[N@@H+](Cc1cccc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746532 523321486 /nfs/dbraw/zinc/32/14/86/523321486.db2.gz WCXKZVXHDJNTET-JWTNVVGKSA-N 2 1 280.415 3.555 20 0 CHADMP C[N@@H+]1CCC[C@@H](CNc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000044537698 523814284 /nfs/dbraw/zinc/81/42/84/523814284.db2.gz FXQGDCBBKPKIFU-LBPRGKRZSA-N 2 1 289.810 3.642 20 0 CHADMP C[N@H+]1CCC[C@@H](CNc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000044537698 523814288 /nfs/dbraw/zinc/81/42/88/523814288.db2.gz FXQGDCBBKPKIFU-LBPRGKRZSA-N 2 1 289.810 3.642 20 0 CHADMP COc1cccc([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000037786210 524089932 /nfs/dbraw/zinc/08/99/32/524089932.db2.gz ICEAVEWNVWCMGY-CQSZACIVSA-N 2 1 290.451 3.609 20 0 CHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000226330814 524858890 /nfs/dbraw/zinc/85/88/90/524858890.db2.gz QGSDNVAJAXYRGP-GVXVVHGQSA-N 2 1 284.806 3.599 20 0 CHADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000226330814 524858898 /nfs/dbraw/zinc/85/88/98/524858898.db2.gz QGSDNVAJAXYRGP-GVXVVHGQSA-N 2 1 284.806 3.599 20 0 CHADMP Cc1ccncc1C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000280203293 525748711 /nfs/dbraw/zinc/74/87/11/525748711.db2.gz HVMZQZZMCQLNJZ-UHFFFAOYSA-N 2 1 297.446 3.520 20 0 CHADMP Cc1ccoc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279373623 525795787 /nfs/dbraw/zinc/79/57/87/525795787.db2.gz IEHFMPRRGWYZSJ-UHFFFAOYSA-N 2 1 299.418 3.500 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1C ZINC000037140893 525917387 /nfs/dbraw/zinc/91/73/87/525917387.db2.gz RKMRMHQGCMZQKQ-HNNXBMFYSA-N 2 1 272.436 3.581 20 0 CHADMP Cc1ccc([C@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)s1 ZINC000359216381 526009067 /nfs/dbraw/zinc/00/90/67/526009067.db2.gz RESJVBZCLZMZAL-OAHLLOKOSA-N 2 1 278.465 3.583 20 0 CHADMP CSc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649184 526061232 /nfs/dbraw/zinc/06/12/32/526061232.db2.gz NCEYQEHAFMBTIF-KGLIPLIRSA-N 2 1 290.476 3.543 20 0 CHADMP Cc1oc2ccccc2c1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000290395763 526786603 /nfs/dbraw/zinc/78/66/03/526786603.db2.gz JBEVLEWOYNJBDR-SUMWQHHRSA-N 2 1 286.419 3.513 20 0 CHADMP Cc1oc2ccccc2c1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000290395763 526786606 /nfs/dbraw/zinc/78/66/06/526786606.db2.gz JBEVLEWOYNJBDR-SUMWQHHRSA-N 2 1 286.419 3.513 20 0 CHADMP Cc1oc2ccccc2c1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000290395763 526786612 /nfs/dbraw/zinc/78/66/12/526786612.db2.gz JBEVLEWOYNJBDR-SUMWQHHRSA-N 2 1 286.419 3.513 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000290395763 526786615 /nfs/dbraw/zinc/78/66/15/526786615.db2.gz JBEVLEWOYNJBDR-SUMWQHHRSA-N 2 1 286.419 3.513 20 0 CHADMP Cc1sccc1C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000339184676 526912835 /nfs/dbraw/zinc/91/28/35/526912835.db2.gz SLOUSBQHLUAUKZ-AWEZNQCLSA-N 2 1 280.481 3.658 20 0 CHADMP Cc1sccc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000339342453 526916417 /nfs/dbraw/zinc/91/64/17/526916417.db2.gz HMAGVCKKGAMHTM-XJKSGUPXSA-N 2 1 292.492 3.799 20 0 CHADMP Clc1cc2c(s1)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157539842 526930328 /nfs/dbraw/zinc/93/03/28/526930328.db2.gz NVVIDNJEPDJKDD-WZRBSPASSA-N 2 1 296.867 3.605 20 0 CHADMP Clc1cc2c(s1)CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157539842 526930333 /nfs/dbraw/zinc/93/03/33/526930333.db2.gz NVVIDNJEPDJKDD-WZRBSPASSA-N 2 1 296.867 3.605 20 0 CHADMP Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130230383 526966584 /nfs/dbraw/zinc/96/65/84/526966584.db2.gz AECZTRLHCMCOFI-INMHGKMJSA-N 2 1 290.838 3.544 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000131191636 527447550 /nfs/dbraw/zinc/44/75/50/527447550.db2.gz FIBGBYJXISHKEG-AYOQOUSVSA-N 2 1 297.446 3.754 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(SC)cc2)C[C@H]1C ZINC000353749024 527755485 /nfs/dbraw/zinc/75/54/85/527755485.db2.gz RQNCJCZFQLSNPE-GDBMZVCRSA-N 2 1 292.492 3.713 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(SC)cc2)C[C@H]1C ZINC000353749024 527755489 /nfs/dbraw/zinc/75/54/89/527755489.db2.gz RQNCJCZFQLSNPE-GDBMZVCRSA-N 2 1 292.492 3.713 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(SC)cc2)C[C@H]1C ZINC000353749024 527755493 /nfs/dbraw/zinc/75/54/93/527755493.db2.gz RQNCJCZFQLSNPE-GDBMZVCRSA-N 2 1 292.492 3.713 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3cccnc32)C[C@@H]1C ZINC000353746943 527757297 /nfs/dbraw/zinc/75/72/97/527757297.db2.gz LXSSLXJKRPCUDC-MAUKXSAKSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3cccnc32)C[C@@H]1C ZINC000353746943 527757301 /nfs/dbraw/zinc/75/73/01/527757301.db2.gz LXSSLXJKRPCUDC-MAUKXSAKSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3cccnc32)C[C@@H]1C ZINC000353746943 527757307 /nfs/dbraw/zinc/75/73/07/527757307.db2.gz LXSSLXJKRPCUDC-MAUKXSAKSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+](CC)CCC[N@H+](CC)Cc1ccsc1C ZINC000353518683 528104296 /nfs/dbraw/zinc/10/42/96/528104296.db2.gz LMUUIKKTAVCPAI-UHFFFAOYSA-N 2 1 268.470 3.610 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccsc1C ZINC000353518683 528104299 /nfs/dbraw/zinc/10/42/99/528104299.db2.gz LMUUIKKTAVCPAI-UHFFFAOYSA-N 2 1 268.470 3.610 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000536570397 1125466946 /nfs/dbraw/zinc/46/69/46/1125466946.db2.gz AVNZQKJKWSTOAE-UHFFFAOYSA-N 2 1 285.435 3.621 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000536570397 1125466948 /nfs/dbraw/zinc/46/69/48/1125466948.db2.gz AVNZQKJKWSTOAE-UHFFFAOYSA-N 2 1 285.435 3.621 20 0 CHADMP C(CCC1CCCC1)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166737997 1125472348 /nfs/dbraw/zinc/47/23/48/1125472348.db2.gz XDVGWFWWTPNCGY-IAGOWNOFSA-N 2 1 264.457 3.563 20 0 CHADMP CC(C)CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623336023 1117832557 /nfs/dbraw/zinc/83/25/57/1117832557.db2.gz RFNOMEBLETUVOT-CABCVRRESA-N 2 1 254.462 3.664 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000129916953 1125478103 /nfs/dbraw/zinc/47/81/03/1125478103.db2.gz XJFIBSPZYLMAFN-MRXNPFEDSA-N 2 1 298.430 3.659 20 0 CHADMP C[C@@H]1CCC[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000086670901 1125478971 /nfs/dbraw/zinc/47/89/71/1125478971.db2.gz SIWVEWAYCNDDOC-SJORKVTESA-N 2 1 278.484 3.953 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000580301645 1118415531 /nfs/dbraw/zinc/41/55/31/1118415531.db2.gz FVQFOTWLVFZRSD-JTQLQIEISA-N 2 1 272.795 3.647 20 0 CHADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647174534 1118679474 /nfs/dbraw/zinc/67/94/74/1118679474.db2.gz DSUOPHWTTBDVAU-ZDUSSCGKSA-N 2 1 288.426 3.664 20 0 CHADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647174534 1118679477 /nfs/dbraw/zinc/67/94/77/1118679477.db2.gz DSUOPHWTTBDVAU-ZDUSSCGKSA-N 2 1 288.426 3.664 20 0 CHADMP CC(C)C1CCC(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000394285349 1118680189 /nfs/dbraw/zinc/68/01/89/1118680189.db2.gz JQLWFODSFLOCFG-LXPRWKDFSA-N 2 1 280.500 3.769 20 0 CHADMP CC(C)[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000472736179 1120156832 /nfs/dbraw/zinc/15/68/32/1120156832.db2.gz NCNGKKRHBRXQHY-IAGOWNOFSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1csc(Cl)c1 ZINC000191166103 1120516119 /nfs/dbraw/zinc/51/61/19/1120516119.db2.gz YVPKEETZIMREKI-WDEREUQCSA-N 2 1 284.856 3.536 20 0 CHADMP CC[C@H]1CCC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)CC1 ZINC000226334589 1120601936 /nfs/dbraw/zinc/60/19/36/1120601936.db2.gz ZQDCZGQTJCTVIL-JKSUJKDBSA-N 2 1 254.462 3.665 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccsc1 ZINC000663467516 1120981878 /nfs/dbraw/zinc/98/18/78/1120981878.db2.gz GMECWRYQVVVXIJ-HIFRSBDPSA-N 2 1 278.465 3.521 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]CC2(C)CCC2)C1 ZINC000434762567 1121169133 /nfs/dbraw/zinc/16/91/33/1121169133.db2.gz HSDDPIKNUHGNFX-IYBDPMFKSA-N 2 1 266.473 3.524 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+]CC[C@H](C)CCC=C(C)C)C1 ZINC000512844340 1121623104 /nfs/dbraw/zinc/62/31/04/1121623104.db2.gz HHHLLOMNYVCMRX-IAGOWNOFSA-N 2 1 266.473 3.690 20 0 CHADMP CC(C)CC(CC(C)C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001177687502 1121746457 /nfs/dbraw/zinc/74/64/57/1121746457.db2.gz ATIXAUYRISBXLU-OAHLLOKOSA-N 2 1 268.489 3.910 20 0 CHADMP C[C@@H](CC[N@H+]1CCCC2(CC[NH2+]CC2)C1)CC(C)(C)C ZINC001204727802 1121754457 /nfs/dbraw/zinc/75/44/57/1121754457.db2.gz PWFPJQINDDTPAA-INIZCTEOSA-N 2 1 280.500 3.914 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001201981716 1123161031 /nfs/dbraw/zinc/16/10/31/1123161031.db2.gz QXCSBLZVSZJDJW-OKZBNKHCSA-N 2 1 278.484 3.785 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000520557259 1123173141 /nfs/dbraw/zinc/17/31/41/1123173141.db2.gz GCTGUFLETKGHLJ-OAGGEKHMSA-N 2 1 272.452 3.615 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000520557259 1123173145 /nfs/dbraw/zinc/17/31/45/1123173145.db2.gz GCTGUFLETKGHLJ-OAGGEKHMSA-N 2 1 272.452 3.615 20 0 CHADMP CCC1(CC)CCC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000474423696 1123526292 /nfs/dbraw/zinc/52/62/92/1123526292.db2.gz AZTMJVHGIRSXDT-ZBFHGGJFSA-N 2 1 266.473 3.808 20 0 CHADMP CCC1(CC)CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000474423696 1123526294 /nfs/dbraw/zinc/52/62/94/1123526294.db2.gz AZTMJVHGIRSXDT-ZBFHGGJFSA-N 2 1 266.473 3.808 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)CC1CCC1)C2 ZINC001172109490 1132130802 /nfs/dbraw/zinc/13/08/02/1132130802.db2.gz DLSHMLSKKAKRGD-PHZGNYQRSA-N 2 1 264.457 3.560 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCCCCCC1)C2 ZINC001172122422 1132135950 /nfs/dbraw/zinc/13/59/50/1132135950.db2.gz AZVXVKWILCJUJC-BJWYYQGGSA-N 2 1 264.457 3.658 20 0 CHADMP CC(C)COCC[C@@H](C)[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172470292 1132225128 /nfs/dbraw/zinc/22/51/28/1132225128.db2.gz CIBDRKLQHGISSQ-KZNAEPCWSA-N 2 1 298.515 3.666 20 0 CHADMP CC[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H](C)[NH+](CC)CC ZINC001205639592 1133597076 /nfs/dbraw/zinc/59/70/76/1133597076.db2.gz FFFIYUWRPZDCFH-OAGGEKHMSA-N 2 1 254.462 3.523 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC001206084904 1133654733 /nfs/dbraw/zinc/65/47/33/1133654733.db2.gz QMKNOEDNWJDZJS-QLFBSQMISA-N 2 1 254.462 3.521 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC001206084904 1133654737 /nfs/dbraw/zinc/65/47/37/1133654737.db2.gz QMKNOEDNWJDZJS-QLFBSQMISA-N 2 1 254.462 3.521 20 0 CHADMP CCC[C@H]1CCCC[N@H+]1CC1(C[NH+](C)C)CCCC1 ZINC001208192211 1133904551 /nfs/dbraw/zinc/90/45/51/1133904551.db2.gz QVKGXVFGVJNOJV-INIZCTEOSA-N 2 1 266.473 3.763 20 0 CHADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000311649062 1135130010 /nfs/dbraw/zinc/13/00/10/1135130010.db2.gz DOAJOQJUNQGHQK-YYIAUSFCSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000311649062 1135130012 /nfs/dbraw/zinc/13/00/12/1135130012.db2.gz DOAJOQJUNQGHQK-YYIAUSFCSA-N 2 1 266.473 3.664 20 0 CHADMP CCCC[C@H](CC)C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222310446 1135222580 /nfs/dbraw/zinc/22/25/80/1135222580.db2.gz VQHLDGSDJNCHFE-IRXDYDNUSA-N 2 1 266.473 3.811 20 0 CHADMP CC[NH+](CC)Cc1ccccc1Nc1[nH+]cc(C)cc1N ZINC001211989608 1125604823 /nfs/dbraw/zinc/60/48/23/1125604823.db2.gz UBRVESRITWSSDR-UHFFFAOYSA-N 2 1 284.407 3.558 20 0 CHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](CC)c2ccc(F)cc2F)C1 ZINC000246822516 1125648797 /nfs/dbraw/zinc/64/87/97/1125648797.db2.gz BGAIGVAKQBFPBG-CXAGYDPISA-N 2 1 296.405 3.737 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)c2ccc(F)cc2F)C1 ZINC000246822516 1125648802 /nfs/dbraw/zinc/64/88/02/1125648802.db2.gz BGAIGVAKQBFPBG-CXAGYDPISA-N 2 1 296.405 3.737 20 0 CHADMP CCC[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1ccc(F)cc1F ZINC000247130833 1125654639 /nfs/dbraw/zinc/65/46/39/1125654639.db2.gz QHNVEZUOZJUPIV-JDFRZJQESA-N 2 1 296.405 3.878 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cncc(F)c1 ZINC000247199319 1125654883 /nfs/dbraw/zinc/65/48/83/1125654883.db2.gz WFVXOXYNENSBMV-LSDHHAIUSA-N 2 1 293.430 3.526 20 0 CHADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)[C@@H](c2ccco2)C1 ZINC000248142917 1125663214 /nfs/dbraw/zinc/66/32/14/1125663214.db2.gz ZADSIBSGUHAVKF-BZUAXINKSA-N 2 1 276.424 3.537 20 0 CHADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)[C@@H](c2ccco2)C1 ZINC000248142917 1125663216 /nfs/dbraw/zinc/66/32/16/1125663216.db2.gz ZADSIBSGUHAVKF-BZUAXINKSA-N 2 1 276.424 3.537 20 0 CHADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)[C@@H](c2ccco2)C1 ZINC000248142917 1125663218 /nfs/dbraw/zinc/66/32/18/1125663218.db2.gz ZADSIBSGUHAVKF-BZUAXINKSA-N 2 1 276.424 3.537 20 0 CHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cccs1 ZINC000248534797 1125665639 /nfs/dbraw/zinc/66/56/39/1125665639.db2.gz WLHANWMXSINUEL-ZIAGYGMSSA-N 2 1 266.454 3.663 20 0 CHADMP Cc1cncc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000248732940 1125674624 /nfs/dbraw/zinc/67/46/24/1125674624.db2.gz PBWLWDIIHPGPKT-WBVHZDCISA-N 2 1 289.467 3.553 20 0 CHADMP C[NH+](C/C=C\Cl)[C@H]1CC[C@H]([N@@H+](C)C/C=C/Cl)CC1 ZINC000886392144 1125676326 /nfs/dbraw/zinc/67/63/26/1125676326.db2.gz XFOVBDKMAGGNPE-GWRJNMICSA-N 2 1 291.266 3.666 20 0 CHADMP C[NH+](C/C=C/Cl)[C@H]1CC[C@H]([N@H+](C)C/C=C\Cl)CC1 ZINC000886392144 1125676331 /nfs/dbraw/zinc/67/63/31/1125676331.db2.gz XFOVBDKMAGGNPE-GWRJNMICSA-N 2 1 291.266 3.666 20 0 CHADMP C[NH+](C/C=C/Cl)[C@H]1CC[C@H]([N@@H+](C)C/C=C\Cl)CC1 ZINC000886392144 1125676334 /nfs/dbraw/zinc/67/63/34/1125676334.db2.gz XFOVBDKMAGGNPE-GWRJNMICSA-N 2 1 291.266 3.666 20 0 CHADMP c1ccc(CC[NH+]2CCC([NH2+]C3(C4CC4)CCC3)CC2)cc1 ZINC000886392152 1125676643 /nfs/dbraw/zinc/67/66/43/1125676643.db2.gz XOOWIBPIOXTEHI-UHFFFAOYSA-N 2 1 298.474 3.616 20 0 CHADMP Cc1[nH]c(C2CC[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)[nH+]c1C ZINC000886659553 1125703621 /nfs/dbraw/zinc/70/36/21/1125703621.db2.gz PKBUTGFBVJEUEX-OIISXLGYSA-N 2 1 287.451 3.642 20 0 CHADMP C[N@@H+](Cc1ccccc1-c1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000262064502 1125750460 /nfs/dbraw/zinc/75/04/60/1125750460.db2.gz RLQJQDZWILAZIW-FQEVSTJZSA-N 2 1 294.442 3.785 20 0 CHADMP C[C@H]([NH2+]CCC1=CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508700466 1125775634 /nfs/dbraw/zinc/77/56/34/1125775634.db2.gz UJXMHIGAHVOCLE-PXNSSMCTSA-N 2 1 298.474 3.987 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)c2cccc(Cl)c2)CC[N@H+]1C ZINC000121781731 1125779524 /nfs/dbraw/zinc/77/95/24/1125779524.db2.gz GEEXMXSWEABJJE-XJKSGUPXSA-N 2 1 294.870 3.690 20 0 CHADMP CCC1(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000508721184 1125783070 /nfs/dbraw/zinc/78/30/70/1125783070.db2.gz UEIDWXRHZUAQLI-AEFFLSMTSA-N 2 1 286.463 3.677 20 0 CHADMP Cc1cccc(N2CCC([NH2+][C@H]3CC[C@H]3C3CCC3)CC2)[nH+]1 ZINC000337997771 1126707961 /nfs/dbraw/zinc/70/79/61/1126707961.db2.gz MUMPJVBVNWSABB-ROUUACIJSA-N 2 1 299.462 3.527 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000338012953 1126710480 /nfs/dbraw/zinc/71/04/80/1126710480.db2.gz CCUSXLPAZWQZSL-KBXCAEBGSA-N 2 1 283.419 3.810 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CCC1CCCC1 ZINC000338013457 1126710813 /nfs/dbraw/zinc/71/08/13/1126710813.db2.gz RWSVGZYLJXKQPW-AWEZNQCLSA-N 2 1 263.429 3.530 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000482152430 1126743090 /nfs/dbraw/zinc/74/30/90/1126743090.db2.gz XRMZBYGPWFETAF-DLBZAZTESA-N 2 1 266.473 3.643 20 0 CHADMP CSC[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000151003810 1126748890 /nfs/dbraw/zinc/74/88/90/1126748890.db2.gz PBIGMRYBZYMGDL-OLZOCXBDSA-N 2 1 289.448 3.583 20 0 CHADMP Cc1ncc(C[N@H+]2CCCC3(CCCCC3)CC2)n1C ZINC000668043074 1126755654 /nfs/dbraw/zinc/75/56/54/1126755654.db2.gz ITZMFHXMAVPKJM-UHFFFAOYSA-N 2 1 275.440 3.665 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCC2CCCCC2)C[C@H]1C ZINC000483285402 1126778767 /nfs/dbraw/zinc/77/87/67/1126778767.db2.gz YGBNKLWVIUBEFD-WBVHZDCISA-N 2 1 266.473 3.761 20 0 CHADMP CC(C)[N@@H+](CCC1CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC001206579919 1130488544 /nfs/dbraw/zinc/48/85/44/1130488544.db2.gz AXBCAWKFNMHERG-QGZVFWFLSA-N 2 1 266.473 3.809 20 0 CHADMP CC[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000251808054 1126796199 /nfs/dbraw/zinc/79/61/99/1126796199.db2.gz OKUQMXJNKFPZOX-VUCRHFMTSA-N 2 1 278.484 3.950 20 0 CHADMP CC[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000251808054 1126796202 /nfs/dbraw/zinc/79/62/02/1126796202.db2.gz OKUQMXJNKFPZOX-VUCRHFMTSA-N 2 1 278.484 3.950 20 0 CHADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000251769108 1126794628 /nfs/dbraw/zinc/79/46/28/1126794628.db2.gz MIIDNYJTCMSJSJ-UHOFOFEASA-N 2 1 280.843 3.850 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+]CC2CCC2)C3)cc1 ZINC000180124017 1126839652 /nfs/dbraw/zinc/83/96/52/1126839652.db2.gz ZVJIUVZLUFILMV-YQQQUEKLSA-N 2 1 284.447 3.572 20 0 CHADMP [NH3+][C@H]1C[C@@H](C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000904312919 1126844069 /nfs/dbraw/zinc/84/40/69/1126844069.db2.gz QBANIHSKAKJCAN-TXEJJXNPSA-N 2 1 299.245 3.695 20 0 CHADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC[C@@H]2c2cccc(Cl)c2)C1 ZINC000904340758 1126846547 /nfs/dbraw/zinc/84/65/47/1126846547.db2.gz CGUUFJFBCYDNFX-UHOFOFEASA-N 2 1 278.827 3.604 20 0 CHADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)cs2)C1 ZINC000904404898 1126851815 /nfs/dbraw/zinc/85/18/15/1126851815.db2.gz ADYAITAFBUZLKT-AWEZNQCLSA-N 2 1 286.444 3.586 20 0 CHADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252417999 1126853661 /nfs/dbraw/zinc/85/36/61/1126853661.db2.gz UHVJWNUOGIZLET-KZNAEPCWSA-N 2 1 272.436 3.602 20 0 CHADMP C[C@@H](CC[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000668459315 1126899631 /nfs/dbraw/zinc/89/96/31/1126899631.db2.gz RRKXYTMTMZKXSN-RDJZCZTQSA-N 2 1 274.452 3.643 20 0 CHADMP C[C@@H](CC[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000668459315 1126899636 /nfs/dbraw/zinc/89/96/36/1126899636.db2.gz RRKXYTMTMZKXSN-RDJZCZTQSA-N 2 1 274.452 3.643 20 0 CHADMP CCCC[C@H](CC)C[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001235191679 1130722142 /nfs/dbraw/zinc/72/21/42/1130722142.db2.gz VMUHFCIWMIJJIU-INIZCTEOSA-N 2 1 266.473 3.811 20 0 CHADMP CCCC[C@H](CC)C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235191679 1130722148 /nfs/dbraw/zinc/72/21/48/1130722148.db2.gz VMUHFCIWMIJJIU-INIZCTEOSA-N 2 1 266.473 3.811 20 0 CHADMP c1ccc(C[C@H]2CC[C@@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000189048816 1126928102 /nfs/dbraw/zinc/92/81/02/1126928102.db2.gz WWCLITQMCIRGLJ-UAFMIMERSA-N 2 1 298.474 3.614 20 0 CHADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(F)cc(Cl)c2)[C@@H](C)C1 ZINC000485685945 1126943497 /nfs/dbraw/zinc/94/34/97/1126943497.db2.gz RKSUTVDTQIUMGI-BLLLJJGKSA-N 2 1 298.833 3.641 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)cc(Cl)c2)[C@@H](C)C1 ZINC000485685945 1126943498 /nfs/dbraw/zinc/94/34/98/1126943498.db2.gz RKSUTVDTQIUMGI-BLLLJJGKSA-N 2 1 298.833 3.641 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)cc(Cl)c2)[C@@H](C)C1 ZINC000485685945 1126943500 /nfs/dbraw/zinc/94/35/00/1126943500.db2.gz RKSUTVDTQIUMGI-BLLLJJGKSA-N 2 1 298.833 3.641 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)cc(Cl)c2)[C@@H](C)C1 ZINC000485685945 1126943501 /nfs/dbraw/zinc/94/35/01/1126943501.db2.gz RKSUTVDTQIUMGI-BLLLJJGKSA-N 2 1 298.833 3.641 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000191265610 1126949610 /nfs/dbraw/zinc/94/96/10/1126949610.db2.gz YDGLCQNECHYECX-QWRGUYRKSA-N 2 1 297.855 3.893 20 0 CHADMP CSc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000266872714 1126988798 /nfs/dbraw/zinc/98/87/98/1126988798.db2.gz NJQPWCXRHKZLGQ-ZDUSSCGKSA-N 2 1 289.448 3.654 20 0 CHADMP C[NH+](C)[C@H](CNc1cc[nH+]cc1Cl)c1ccsc1 ZINC000267366296 1126998241 /nfs/dbraw/zinc/99/82/41/1126998241.db2.gz IYYLXTCJJNGPHV-CYBMUJFWSA-N 2 1 281.812 3.511 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CC1(C)C ZINC000487555985 1127035020 /nfs/dbraw/zinc/03/50/20/1127035020.db2.gz UGHZOXAMOCWCRO-HWMZRRJGSA-N 2 1 278.484 3.664 20 0 CHADMP C[C@H](C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000668819032 1127054995 /nfs/dbraw/zinc/05/49/95/1127054995.db2.gz MQPUPVWYRNHLQL-SJLPKXTDSA-N 2 1 286.463 3.502 20 0 CHADMP Cc1nccn1CC[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC000270681877 1127061254 /nfs/dbraw/zinc/06/12/54/1127061254.db2.gz VCWXGTACTHTNKR-LBPRGKRZSA-N 2 1 277.799 3.538 20 0 CHADMP CC(C)(C)C[N@@H+](C[C@@H]1CC=CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236769653 1131005043 /nfs/dbraw/zinc/00/50/43/1131005043.db2.gz YKFLDUBYNQRGHC-BRWVUGGUSA-N 2 1 278.484 3.961 20 0 CHADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000349244502 1127144371 /nfs/dbraw/zinc/14/43/71/1127144371.db2.gz DNXOYBFZIZIAGR-AIANPOQGSA-N 2 1 272.436 3.616 20 0 CHADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000349244502 1127144373 /nfs/dbraw/zinc/14/43/73/1127144373.db2.gz DNXOYBFZIZIAGR-AIANPOQGSA-N 2 1 272.436 3.616 20 0 CHADMP C[NH+]1CCC2(CCC[N@@H+](CCCC(C)(C)C)C2)CC1 ZINC000799178364 1131074415 /nfs/dbraw/zinc/07/44/15/1131074415.db2.gz NLOZWCKNEQUZOV-UHFFFAOYSA-N 2 1 266.473 3.621 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2CCCc3c(C)ccc(C)c32)CC1 ZINC000349811204 1127162136 /nfs/dbraw/zinc/16/21/36/1127162136.db2.gz GDRMVQSGGUIMDV-SFHVURJKSA-N 2 1 286.463 3.755 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](C)CCc1ccsc1 ZINC000571930843 1127183480 /nfs/dbraw/zinc/18/34/80/1127183480.db2.gz LMOJSKURQPODFS-HUUCEWRRSA-N 2 1 282.497 3.779 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](C)CCc1ccsc1 ZINC000571930843 1127183482 /nfs/dbraw/zinc/18/34/82/1127183482.db2.gz LMOJSKURQPODFS-HUUCEWRRSA-N 2 1 282.497 3.779 20 0 CHADMP CCc1ccc(C[N@@H+](C)C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168387901 1127216096 /nfs/dbraw/zinc/21/60/96/1127216096.db2.gz XVFLYEJQZGQJPK-UHFFFAOYSA-N 2 1 286.463 3.555 20 0 CHADMP c1ccc(C2=CC[N@H+](C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168387951 1127216559 /nfs/dbraw/zinc/21/65/59/1127216559.db2.gz ZBDBYTCIVRYPHI-UHFFFAOYSA-N 2 1 296.458 3.650 20 0 CHADMP c1ccc(C2=CC[N@@H+](C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168387951 1127216562 /nfs/dbraw/zinc/21/65/62/1127216562.db2.gz ZBDBYTCIVRYPHI-UHFFFAOYSA-N 2 1 296.458 3.650 20 0 CHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc3occc3c2)CC1 ZINC000285463642 1127229899 /nfs/dbraw/zinc/22/98/99/1127229899.db2.gz NCLIKGMJBSXNTR-UHFFFAOYSA-N 2 1 286.419 3.785 20 0 CHADMP Cc1ccnc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000285464736 1127230455 /nfs/dbraw/zinc/23/04/55/1127230455.db2.gz AJVHAGSIKVJGHB-SJORKVTESA-N 2 1 289.467 3.553 20 0 CHADMP [NH3+]CCC[N@H+](Cc1cccc2cccnc21)CC1CCCC1 ZINC000352488429 1127236232 /nfs/dbraw/zinc/23/62/32/1127236232.db2.gz QDOUUKPCHLRFSD-UHFFFAOYSA-N 2 1 297.446 3.576 20 0 CHADMP CSc1ccc(C[NH2+]CCCCn2cc[nH+]c2C)s1 ZINC000352836857 1127246140 /nfs/dbraw/zinc/24/61/40/1127246140.db2.gz NCSVUARMKNTISR-UHFFFAOYSA-N 2 1 295.477 3.545 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000590786364 1127272982 /nfs/dbraw/zinc/27/29/82/1127272982.db2.gz AITORIHRKQMUKT-UHFFFAOYSA-N 2 1 294.870 3.892 20 0 CHADMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(C)c1 ZINC000573031246 1127280672 /nfs/dbraw/zinc/28/06/72/1127280672.db2.gz NMELSACIECNROQ-UHFFFAOYSA-N 2 1 288.479 3.856 20 0 CHADMP CC1=C[C@H](C)C[NH+](CCCC[N@H+]2CC(C)=C[C@H](C)C2)C1 ZINC000573204942 1127297607 /nfs/dbraw/zinc/29/76/07/1127297607.db2.gz ZKWLCFSVNFJMMA-RDJZCZTQSA-N 2 1 276.468 3.563 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cc2cccc(F)c2o1 ZINC000355757344 1127362579 /nfs/dbraw/zinc/36/25/79/1127362579.db2.gz LQCFCPFSMQSHPS-TZMCWYRMSA-N 2 1 290.382 3.707 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cc2cccc(F)c2o1 ZINC000355757344 1127362580 /nfs/dbraw/zinc/36/25/80/1127362580.db2.gz LQCFCPFSMQSHPS-TZMCWYRMSA-N 2 1 290.382 3.707 20 0 CHADMP CSC1(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)CC1 ZINC000289323057 1127381330 /nfs/dbraw/zinc/38/13/30/1127381330.db2.gz TYXQKZACOLMHLX-UHFFFAOYSA-N 2 1 292.492 3.512 20 0 CHADMP CC[C@@H](C[NH2+][C@H](C)c1ccccc1C)[NH+]1CCCC1 ZINC000480791178 1127382010 /nfs/dbraw/zinc/38/20/10/1127382010.db2.gz ZSSKEXGZKDXIMM-CVEARBPZSA-N 2 1 260.425 3.520 20 0 CHADMP CC[N@@H+](CCC[NH2+][C@H]1CC[C@H]1SC)C1CCCCC1 ZINC000593660891 1127393970 /nfs/dbraw/zinc/39/39/70/1127393970.db2.gz PJHYFHQVPXTMOJ-JKSUJKDBSA-N 2 1 284.513 3.515 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CC2(C)C)cc1 ZINC000358144391 1127404345 /nfs/dbraw/zinc/40/43/45/1127404345.db2.gz WELISONJJUXDGA-CJNGLKHVSA-N 2 1 283.419 3.877 20 0 CHADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000168611221 1127457260 /nfs/dbraw/zinc/45/72/60/1127457260.db2.gz NWUFYYPBBMAAFM-DNVCBOLYSA-N 2 1 280.415 3.523 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000359629759 1127470826 /nfs/dbraw/zinc/47/08/26/1127470826.db2.gz GKDFFOWRMJYSAH-HNNXBMFYSA-N 2 1 296.455 3.683 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000359629759 1127470828 /nfs/dbraw/zinc/47/08/28/1127470828.db2.gz GKDFFOWRMJYSAH-HNNXBMFYSA-N 2 1 296.455 3.683 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC000293657350 1127511185 /nfs/dbraw/zinc/51/11/85/1127511185.db2.gz LSBYBJFYDWXZHV-ZIFCJYIRSA-N 2 1 284.447 3.589 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)(F)F)cc2)[C@H](C)C1 ZINC000293777070 1127519608 /nfs/dbraw/zinc/51/96/08/1127519608.db2.gz SPGPOUQAQWBKAV-CJNGLKHVSA-N 2 1 296.405 3.618 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[NH2+]CCn1cc[nH+]c1C ZINC000361007554 1127529037 /nfs/dbraw/zinc/52/90/37/1127529037.db2.gz GRTZSOUFMMQFNK-OAHLLOKOSA-N 2 1 263.429 3.554 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000293847532 1127525550 /nfs/dbraw/zinc/52/55/50/1127525550.db2.gz TZOZZGWQPMUFIR-CQSZACIVSA-N 2 1 283.419 3.810 20 0 CHADMP CC(C)C[C@H](CNc1cc[nH+]c2ccsc21)[NH+](C)C ZINC000361135955 1127541185 /nfs/dbraw/zinc/54/11/85/1127541185.db2.gz KOIJARNKBHCKGN-GFCCVEGCSA-N 2 1 277.437 3.685 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000361544856 1127570448 /nfs/dbraw/zinc/57/04/48/1127570448.db2.gz XHQNHUPOWYVQRU-MRXNPFEDSA-N 2 1 277.456 3.730 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000361544856 1127570453 /nfs/dbraw/zinc/57/04/53/1127570453.db2.gz XHQNHUPOWYVQRU-MRXNPFEDSA-N 2 1 277.456 3.730 20 0 CHADMP Cc1cc(-n2ccnc2)ccc1C[N@H+](C)CC(C)(C)C ZINC000361713672 1127583383 /nfs/dbraw/zinc/58/33/83/1127583383.db2.gz ZVWUEGZIXFXUKW-UHFFFAOYSA-N 2 1 271.408 3.659 20 0 CHADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCCC1(C)C ZINC000361711126 1127583464 /nfs/dbraw/zinc/58/34/64/1127583464.db2.gz GLQMTCFUXGBJHE-UHFFFAOYSA-N 2 1 269.392 3.555 20 0 CHADMP CCCC1CCC([N@H+](C)CCCn2cc[nH+]c2C)CC1 ZINC000362151254 1127614858 /nfs/dbraw/zinc/61/48/58/1127614858.db2.gz SLJNGJNQERVIHO-UHFFFAOYSA-N 2 1 277.456 3.872 20 0 CHADMP CCCC1CCC([N@@H+](C)CCCn2cc[nH+]c2C)CC1 ZINC000362151254 1127614859 /nfs/dbraw/zinc/61/48/59/1127614859.db2.gz SLJNGJNQERVIHO-UHFFFAOYSA-N 2 1 277.456 3.872 20 0 CHADMP Cc1cnccc1C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000295395132 1127640537 /nfs/dbraw/zinc/64/05/37/1127640537.db2.gz LQUQCROLVUTVLE-UHFFFAOYSA-N 2 1 297.446 3.520 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CCC(C)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000296050010 1127662026 /nfs/dbraw/zinc/66/20/26/1127662026.db2.gz OMNZFZDKAYDCJF-ZBFHGGJFSA-N 2 1 296.405 3.674 20 0 CHADMP c1cc2[nH+]ccc(NC3CC[NH+](C4CCC4)CC3)c2s1 ZINC000296067600 1127662062 /nfs/dbraw/zinc/66/20/62/1127662062.db2.gz RRBGOODSQYWNQR-UHFFFAOYSA-N 2 1 287.432 3.725 20 0 CHADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1nccc2ccccc21 ZINC000296646222 1127679854 /nfs/dbraw/zinc/67/98/54/1127679854.db2.gz YMCYCLMZBKHVTE-HZTRTUMWSA-N 2 1 295.430 3.511 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1nccc2ccccc21 ZINC000296646222 1127679859 /nfs/dbraw/zinc/67/98/59/1127679859.db2.gz YMCYCLMZBKHVTE-HZTRTUMWSA-N 2 1 295.430 3.511 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccsc1 ZINC000297960569 1127712637 /nfs/dbraw/zinc/71/26/37/1127712637.db2.gz ZGHPXQRYDBLWIK-IUODEOHRSA-N 2 1 277.437 3.630 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCCCCC[NH3+] ZINC000062010671 1127730604 /nfs/dbraw/zinc/73/06/04/1127730604.db2.gz ATBRILXVECIXCP-CYBMUJFWSA-N 2 1 268.832 3.852 20 0 CHADMP CC(C[NH+](C)CC(C)(C)C)C[N@@H+](C)CC(C)(C)C ZINC000605573110 1127743000 /nfs/dbraw/zinc/74/30/00/1127743000.db2.gz IGHDXFOVDJYORY-UHFFFAOYSA-N 2 1 256.478 3.578 20 0 CHADMP CC(C)[C@H]1CCC[NH+]1C[C@H](C)C[N@H+]1CCC[C@H]1C(C)C ZINC000605574374 1127743091 /nfs/dbraw/zinc/74/30/91/1127743091.db2.gz AQQXPOYNOAZEKL-BCDXTJNWSA-N 2 1 280.500 3.863 20 0 CHADMP CC(C)[C@H]1CCC[N@H+]1C[C@H](C)C[NH+]1CCC[C@H]1C(C)C ZINC000605574374 1127743094 /nfs/dbraw/zinc/74/30/94/1127743094.db2.gz AQQXPOYNOAZEKL-BCDXTJNWSA-N 2 1 280.500 3.863 20 0 CHADMP CC(C)[C@H]1CCC[N@@H+]1C[C@H](C)C[NH+]1CCC[C@H]1C(C)C ZINC000605574374 1127743096 /nfs/dbraw/zinc/74/30/96/1127743096.db2.gz AQQXPOYNOAZEKL-BCDXTJNWSA-N 2 1 280.500 3.863 20 0 CHADMP C[C@@H](c1ccccc1F)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366865213 1127748680 /nfs/dbraw/zinc/74/86/80/1127748680.db2.gz MQZCMOZFNRCBMM-HNNXBMFYSA-N 2 1 290.426 3.695 20 0 CHADMP C[N@@H+](Cc1ccco1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411137283 1127842324 /nfs/dbraw/zinc/84/23/24/1127842324.db2.gz PYOMTFZWJQOGAA-UHFFFAOYSA-N 2 1 298.430 3.898 20 0 CHADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373522036 1127847698 /nfs/dbraw/zinc/84/76/98/1127847698.db2.gz LTXJUPAJGKMQCH-FOSZKXBFSA-N 2 1 284.447 3.526 20 0 CHADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373522037 1127848257 /nfs/dbraw/zinc/84/82/57/1127848257.db2.gz LTXJUPAJGKMQCH-MRTGAJDVSA-N 2 1 284.447 3.526 20 0 CHADMP CC(C)c1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000659983572 1127875439 /nfs/dbraw/zinc/87/54/39/1127875439.db2.gz QEENIPRJJALHIS-CRAIPNDOSA-N 2 1 274.452 3.725 20 0 CHADMP CC(C)c1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000659983572 1127875446 /nfs/dbraw/zinc/87/54/46/1127875446.db2.gz QEENIPRJJALHIS-CRAIPNDOSA-N 2 1 274.452 3.725 20 0 CHADMP CC(C)c1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000659983572 1127875453 /nfs/dbraw/zinc/87/54/53/1127875453.db2.gz QEENIPRJJALHIS-CRAIPNDOSA-N 2 1 274.452 3.725 20 0 CHADMP CC(C)c1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000659983572 1127875456 /nfs/dbraw/zinc/87/54/56/1127875456.db2.gz QEENIPRJJALHIS-CRAIPNDOSA-N 2 1 274.452 3.725 20 0 CHADMP C[C@@H]1CC[C@@H](C)[NH+](C/C=C/C[N@H+]2C[C@H](C)CC[C@@H]2C)C1 ZINC000608578133 1127878603 /nfs/dbraw/zinc/87/86/03/1127878603.db2.gz OINAYINUUHXNGU-ONQYKWIUSA-N 2 1 278.484 3.783 20 0 CHADMP C[C@@H]1CC[C@H](C)[NH+](C/C=C/C[N@@H+]2C[C@H](C)CC[C@H]2C)C1 ZINC000608578133 1127878605 /nfs/dbraw/zinc/87/86/05/1127878605.db2.gz OINAYINUUHXNGU-ONQYKWIUSA-N 2 1 278.484 3.783 20 0 CHADMP C[C@@H]1CC[C@H](C)[NH+](C/C=C/C[N@H+]2C[C@H](C)CC[C@H]2C)C1 ZINC000608578133 1127878607 /nfs/dbraw/zinc/87/86/07/1127878607.db2.gz OINAYINUUHXNGU-ONQYKWIUSA-N 2 1 278.484 3.783 20 0 CHADMP CC[C@@H]1C[C@@H](C)C[NH+]1C/C=C/C[N@@H+]1C[C@@H](C)C[C@H]1CC ZINC000608758128 1127888410 /nfs/dbraw/zinc/88/84/10/1127888410.db2.gz FSJUKYMCFILGJT-JKUYKSBFSA-N 2 1 278.484 3.783 20 0 CHADMP CC[C@@H]1C[C@H](C)C[NH+]1C/C=C/C[N@@H+]1C[C@H](C)C[C@H]1CC ZINC000608758128 1127888416 /nfs/dbraw/zinc/88/84/16/1127888416.db2.gz FSJUKYMCFILGJT-JKUYKSBFSA-N 2 1 278.484 3.783 20 0 CHADMP CC[C@@H]1C[C@H](C)C[NH+]1C/C=C/C[N@H+]1C[C@H](C)C[C@H]1CC ZINC000608758128 1127888418 /nfs/dbraw/zinc/88/84/18/1127888418.db2.gz FSJUKYMCFILGJT-JKUYKSBFSA-N 2 1 278.484 3.783 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+]1[C@@H](C)CC[C@H]1CN ZINC001205074699 1127937325 /nfs/dbraw/zinc/93/73/25/1127937325.db2.gz AFESMMRWQNWCLJ-AAEUAGOBSA-N 2 1 274.433 3.521 20 0 CHADMP Cc1sc2ccccc2c1CN1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205074699 1127937327 /nfs/dbraw/zinc/93/73/27/1127937327.db2.gz AFESMMRWQNWCLJ-AAEUAGOBSA-N 2 1 274.433 3.521 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205074699 1127937331 /nfs/dbraw/zinc/93/73/31/1127937331.db2.gz AFESMMRWQNWCLJ-AAEUAGOBSA-N 2 1 274.433 3.521 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205074699 1127937332 /nfs/dbraw/zinc/93/73/32/1127937332.db2.gz AFESMMRWQNWCLJ-AAEUAGOBSA-N 2 1 274.433 3.521 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cccc(-c2ccsc2)c1 ZINC001205075770 1127940255 /nfs/dbraw/zinc/94/02/55/1127940255.db2.gz MNFJBDJHSWQNCD-GUYCJALGSA-N 2 1 286.444 3.727 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cccc(-c2ccsc2)c1 ZINC001205075770 1127940259 /nfs/dbraw/zinc/94/02/59/1127940259.db2.gz MNFJBDJHSWQNCD-GUYCJALGSA-N 2 1 286.444 3.727 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C)c2C)C[C@@H]1C ZINC000539817304 1127942008 /nfs/dbraw/zinc/94/20/08/1127942008.db2.gz GZHCXFIHKBICBV-MAUKXSAKSA-N 2 1 274.452 3.608 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C)c2C)C[C@@H]1C ZINC000539817304 1127942010 /nfs/dbraw/zinc/94/20/10/1127942010.db2.gz GZHCXFIHKBICBV-MAUKXSAKSA-N 2 1 274.452 3.608 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C)c2C)C[C@@H]1C ZINC000539817304 1127942013 /nfs/dbraw/zinc/94/20/13/1127942013.db2.gz GZHCXFIHKBICBV-MAUKXSAKSA-N 2 1 274.452 3.608 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2ccc(C)cc2)[C@@H](C)C1 ZINC000544071456 1127957662 /nfs/dbraw/zinc/95/76/62/1127957662.db2.gz ZOKGMPNFCBPRAW-HKUYNNGSSA-N 2 1 288.479 3.590 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2ccc(C)cc2)[C@@H](C)C1 ZINC000544071456 1127957665 /nfs/dbraw/zinc/95/76/65/1127957665.db2.gz ZOKGMPNFCBPRAW-HKUYNNGSSA-N 2 1 288.479 3.590 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2ccc(C)cc2)[C@@H](C)C1 ZINC000544071456 1127957668 /nfs/dbraw/zinc/95/76/68/1127957668.db2.gz ZOKGMPNFCBPRAW-HKUYNNGSSA-N 2 1 288.479 3.590 20 0 CHADMP CC(C)CCC[C@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000540169135 1127965183 /nfs/dbraw/zinc/96/51/83/1127965183.db2.gz DAUKKPZHXBLKSI-OKZBNKHCSA-N 2 1 298.515 3.680 20 0 CHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)CC1CCCCC1 ZINC000544609983 1127978473 /nfs/dbraw/zinc/97/84/73/1127978473.db2.gz IDFJIAMSOOCAEJ-YQQAZPJKSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@H](CC1CCCCC1)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000544600486 1127978548 /nfs/dbraw/zinc/97/85/48/1127978548.db2.gz YJYFRODXESXMEJ-NJAFHUGGSA-N 2 1 278.484 3.619 20 0 CHADMP C[C@H](CC1CCCCC1)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000544600486 1127978551 /nfs/dbraw/zinc/97/85/51/1127978551.db2.gz YJYFRODXESXMEJ-NJAFHUGGSA-N 2 1 278.484 3.619 20 0 CHADMP C[C@H](CC1CCCCC1)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000544600486 1127978552 /nfs/dbraw/zinc/97/85/52/1127978552.db2.gz YJYFRODXESXMEJ-NJAFHUGGSA-N 2 1 278.484 3.619 20 0 CHADMP C[C@H](CC1CCCCC1)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000544600486 1127978555 /nfs/dbraw/zinc/97/85/55/1127978555.db2.gz YJYFRODXESXMEJ-NJAFHUGGSA-N 2 1 278.484 3.619 20 0 CHADMP C[C@H](CCc1ccccc1)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000540498002 1127981447 /nfs/dbraw/zinc/98/14/47/1127981447.db2.gz NDPACKRZADJOJX-QGZVFWFLSA-N 2 1 288.479 3.529 20 0 CHADMP CC(C)[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(Cl)cc1 ZINC000540607790 1127986743 /nfs/dbraw/zinc/98/67/43/1127986743.db2.gz MSCYNWXHLKSCPR-KRWDZBQOSA-N 2 1 292.854 3.889 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](CC(C)C)C2)C1 ZINC000300308700 1127998609 /nfs/dbraw/zinc/99/86/09/1127998609.db2.gz KQHOHIFLLAOTSL-ZACQAIPSSA-N 2 1 266.473 3.523 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)o1 ZINC000545518042 1128018535 /nfs/dbraw/zinc/01/85/35/1128018535.db2.gz LUHFOTZVSXFBDU-CQSZACIVSA-N 2 1 278.440 3.615 20 0 CHADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000541537544 1128025181 /nfs/dbraw/zinc/02/51/81/1128025181.db2.gz UDSVZOWDAMTBHK-MTNOOBJLSA-N 2 1 290.495 3.761 20 0 CHADMP C[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000541537544 1128025184 /nfs/dbraw/zinc/02/51/84/1128025184.db2.gz UDSVZOWDAMTBHK-MTNOOBJLSA-N 2 1 290.495 3.761 20 0 CHADMP C[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000541537544 1128025189 /nfs/dbraw/zinc/02/51/89/1128025189.db2.gz UDSVZOWDAMTBHK-MTNOOBJLSA-N 2 1 290.495 3.761 20 0 CHADMP C[C@@H](CCC1CC1)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000469777954 1128053924 /nfs/dbraw/zinc/05/39/24/1128053924.db2.gz ZMIJKKCLDCJTRR-JKSUJKDBSA-N 2 1 266.473 3.809 20 0 CHADMP CCc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000469730906 1128051904 /nfs/dbraw/zinc/05/19/04/1128051904.db2.gz GZHMBKKLLZJADJ-AZUAARDMSA-N 2 1 298.474 3.698 20 0 CHADMP CCc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000469730906 1128051908 /nfs/dbraw/zinc/05/19/08/1128051908.db2.gz GZHMBKKLLZJADJ-AZUAARDMSA-N 2 1 298.474 3.698 20 0 CHADMP CCc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000469730906 1128051912 /nfs/dbraw/zinc/05/19/12/1128051912.db2.gz GZHMBKKLLZJADJ-AZUAARDMSA-N 2 1 298.474 3.698 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2CCCF)C1 ZINC000510756012 1128057263 /nfs/dbraw/zinc/05/72/63/1128057263.db2.gz YHEINOBJKPMJBH-ZACQAIPSSA-N 2 1 284.463 3.615 20 0 CHADMP CC[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CC[C@@H]1c1ccccc1 ZINC000469987951 1128061408 /nfs/dbraw/zinc/06/14/08/1128061408.db2.gz YSHFGZWKSXXYCW-SCTDSRPQSA-N 2 1 286.463 3.502 20 0 CHADMP CCC[C@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000470016458 1128061426 /nfs/dbraw/zinc/06/14/26/1128061426.db2.gz GCHFYICMFAKQRN-KAKFPZCNSA-N 2 1 286.463 3.785 20 0 CHADMP CCC[C@H](C[N@H+]1CCC[C@H](C[NH2+]C)C1)c1ccccc1 ZINC000470000658 1128061585 /nfs/dbraw/zinc/06/15/85/1128061585.db2.gz UDJBBMPAARLHCF-SJLPKXTDSA-N 2 1 274.452 3.502 20 0 CHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+]([C@H]2CCCc3ccccc32)C1 ZINC000470976419 1128083832 /nfs/dbraw/zinc/08/38/32/1128083832.db2.gz KGMIQHSVJMXIDI-XLIONFOSSA-N 2 1 298.474 3.728 20 0 CHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000470976419 1128083834 /nfs/dbraw/zinc/08/38/34/1128083834.db2.gz KGMIQHSVJMXIDI-XLIONFOSSA-N 2 1 298.474 3.728 20 0 CHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000470976419 1128083837 /nfs/dbraw/zinc/08/38/37/1128083837.db2.gz KGMIQHSVJMXIDI-XLIONFOSSA-N 2 1 298.474 3.728 20 0 CHADMP CC(C)(C)c1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1 ZINC000312843698 1128093349 /nfs/dbraw/zinc/09/33/49/1128093349.db2.gz FNSUBSHHEQSAEW-INIZCTEOSA-N 2 1 274.452 3.545 20 0 CHADMP CCCCCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000924528732 1128101945 /nfs/dbraw/zinc/10/19/45/1128101945.db2.gz PXFOHXBBHOSGCQ-OOKSDGMUSA-N 2 1 296.499 3.577 20 0 CHADMP Cc1noc(C)c1[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000924687372 1128109576 /nfs/dbraw/zinc/10/95/76/1128109576.db2.gz OSMAWAVEYUONRL-KBPBESRZSA-N 2 1 293.455 3.597 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1c(C)oc2ccccc21 ZINC000924717944 1128111095 /nfs/dbraw/zinc/11/10/95/1128111095.db2.gz XHIFWFRKQFXZGZ-CYBMUJFWSA-N 2 1 297.402 3.987 20 0 CHADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000924753975 1128112184 /nfs/dbraw/zinc/11/21/84/1128112184.db2.gz RLDZRJKJCLQHKK-WZYMTQMTSA-N 2 1 296.524 3.513 20 0 CHADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000924753975 1128112188 /nfs/dbraw/zinc/11/21/88/1128112188.db2.gz RLDZRJKJCLQHKK-WZYMTQMTSA-N 2 1 296.524 3.513 20 0 CHADMP CCC[C@@H](CC)[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001257265392 1128124332 /nfs/dbraw/zinc/12/43/32/1128124332.db2.gz DKUKURJLVAMKOM-IKGGRYGDSA-N 2 1 266.473 3.904 20 0 CHADMP CCC[C@@H](CC)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001257265392 1128124334 /nfs/dbraw/zinc/12/43/34/1128124334.db2.gz DKUKURJLVAMKOM-IKGGRYGDSA-N 2 1 266.473 3.904 20 0 CHADMP CCC[C@@H](CC)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001257265392 1128124336 /nfs/dbraw/zinc/12/43/36/1128124336.db2.gz DKUKURJLVAMKOM-IKGGRYGDSA-N 2 1 266.473 3.904 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCc2cccc(C)c21 ZINC000925133694 1128122931 /nfs/dbraw/zinc/12/29/31/1128122931.db2.gz NBNYLHVNUFCRNI-QGZVFWFLSA-N 2 1 283.419 3.557 20 0 CHADMP c1ccc([C@@H]2C[C@H]([NH2+]CC3(CC4CC4)CC3)CC[NH2+]2)cc1 ZINC000925732487 1128138940 /nfs/dbraw/zinc/13/89/40/1128138940.db2.gz BXSKXEDMIOZWMM-MSOLQXFVSA-N 2 1 284.447 3.650 20 0 CHADMP CCC1([NH3+])CC[NH+]([C@@H]2CCSc3c(F)cccc32)CC1 ZINC000925755226 1128140417 /nfs/dbraw/zinc/14/04/17/1128140417.db2.gz COUHLXWMPYABCF-CQSZACIVSA-N 2 1 294.439 3.566 20 0 CHADMP CCC(F)(F)C(C)(C)C[NH2+][C@H](c1ccccc1)[C@@H](C)N ZINC000925720842 1128138178 /nfs/dbraw/zinc/13/81/78/1128138178.db2.gz VBPJSQBTQGWYHG-OCCSQVGLSA-N 2 1 284.394 3.736 20 0 CHADMP Cc1oc2ccccc2c1[C@@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000925812560 1128143194 /nfs/dbraw/zinc/14/31/94/1128143194.db2.gz IYCQOOXENQIODB-TZMCWYRMSA-N 2 1 295.386 3.603 20 0 CHADMP CCC1([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000926508817 1128177264 /nfs/dbraw/zinc/17/72/64/1128177264.db2.gz JODXHSWALFZTFE-WMZOPIPTSA-N 2 1 284.447 3.887 20 0 CHADMP CCC1([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000926508817 1128177267 /nfs/dbraw/zinc/17/72/67/1128177267.db2.gz JODXHSWALFZTFE-WMZOPIPTSA-N 2 1 284.447 3.887 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1coc2ccccc12 ZINC000926753214 1128192319 /nfs/dbraw/zinc/19/23/19/1128192319.db2.gz LUYRHVYDJOSSHX-CABCVRRESA-N 2 1 286.419 3.815 20 0 CHADMP CCCCCCOc1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC000032052030 1128199168 /nfs/dbraw/zinc/19/91/68/1128199168.db2.gz LSYWGKYHJKUCQJ-UHFFFAOYSA-N 2 1 290.451 3.569 20 0 CHADMP Cc1ccc2cc([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)oc2c1 ZINC000495249374 1128253628 /nfs/dbraw/zinc/25/36/28/1128253628.db2.gz GPKGPVCLDUQCOP-AWEZNQCLSA-N 2 1 288.435 3.980 20 0 CHADMP CC(C)c1ccccc1C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235143530 1128305495 /nfs/dbraw/zinc/30/54/95/1128305495.db2.gz DVVDDTLJOJZELT-UHFFFAOYSA-N 2 1 272.436 3.528 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3)cc2)CC[N@H+]1C ZINC000316592452 1128335357 /nfs/dbraw/zinc/33/53/57/1128335357.db2.gz FXYOPJIZRFFYQL-UZLBHIALSA-N 2 1 294.442 3.926 20 0 CHADMP C[C@H]1C[C@H]([N@@H+](C)CCCc2ccc(Cl)cc2)CCN1C ZINC000123362455 1128412627 /nfs/dbraw/zinc/41/26/27/1128412627.db2.gz RQMJKECSLLZTCP-WMLDXEAASA-N 2 1 294.870 3.687 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)CCCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000123362455 1128412630 /nfs/dbraw/zinc/41/26/30/1128412630.db2.gz RQMJKECSLLZTCP-WMLDXEAASA-N 2 1 294.870 3.687 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)CCCc2ccc(Cl)cc2)CC[N@H+]1C ZINC000123362455 1128412633 /nfs/dbraw/zinc/41/26/33/1128412633.db2.gz RQMJKECSLLZTCP-WMLDXEAASA-N 2 1 294.870 3.687 20 0 CHADMP C[C@H]1C[C@H]([N@H+](C)CCCc2ccc(Cl)cc2)CC[NH+]1C ZINC000123362455 1128412635 /nfs/dbraw/zinc/41/26/35/1128412635.db2.gz RQMJKECSLLZTCP-WMLDXEAASA-N 2 1 294.870 3.687 20 0 CHADMP C[C@H]1C[C@H]([N@@H+](C)CCCc2ccc(Cl)cc2)CC[NH+]1C ZINC000123362455 1128412636 /nfs/dbraw/zinc/41/26/36/1128412636.db2.gz RQMJKECSLLZTCP-WMLDXEAASA-N 2 1 294.870 3.687 20 0 CHADMP CC(C)CC(CC(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322345080 1128342164 /nfs/dbraw/zinc/34/21/64/1128342164.db2.gz CZKBNSJFZAPBPA-ALOPSCKCSA-N 2 1 266.473 3.662 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1csc(Cl)c1 ZINC000322703569 1128348197 /nfs/dbraw/zinc/34/81/97/1128348197.db2.gz MKZWQUIURIHEDD-NSNUZPRRSA-N 2 1 284.856 3.677 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1csc(Cl)c1 ZINC000322703569 1128348200 /nfs/dbraw/zinc/34/82/00/1128348200.db2.gz MKZWQUIURIHEDD-NSNUZPRRSA-N 2 1 284.856 3.677 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000562017929 1128371814 /nfs/dbraw/zinc/37/18/14/1128371814.db2.gz MGZRLPCUOFTNIO-CYGHRXIMSA-N 2 1 278.484 3.523 20 0 CHADMP C[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C(C)(C)C ZINC000670265661 1128377235 /nfs/dbraw/zinc/37/72/35/1128377235.db2.gz PAEJAAUEDXDFKP-HLLBOEOZSA-N 2 1 278.484 3.617 20 0 CHADMP C[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C(C)(C)C ZINC000670265661 1128377239 /nfs/dbraw/zinc/37/72/39/1128377239.db2.gz PAEJAAUEDXDFKP-HLLBOEOZSA-N 2 1 278.484 3.617 20 0 CHADMP C[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C(C)(C)C ZINC000670265661 1128377243 /nfs/dbraw/zinc/37/72/43/1128377243.db2.gz PAEJAAUEDXDFKP-HLLBOEOZSA-N 2 1 278.484 3.617 20 0 CHADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](C)C(C)(C)C)CC1 ZINC000670270364 1128382663 /nfs/dbraw/zinc/38/26/63/1128382663.db2.gz WYSMWNBKKJWACS-OAHLLOKOSA-N 2 1 290.451 3.915 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(Cl)c1 ZINC000036996644 1128404545 /nfs/dbraw/zinc/40/45/45/1128404545.db2.gz SYHDLJIBMPQDEL-APHBMKBZSA-N 2 1 278.827 3.617 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(Cl)c1 ZINC000036996644 1128404547 /nfs/dbraw/zinc/40/45/47/1128404547.db2.gz SYHDLJIBMPQDEL-APHBMKBZSA-N 2 1 278.827 3.617 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CCCC[C@H]2C)C1 ZINC001649175990 1128404733 /nfs/dbraw/zinc/40/47/33/1128404733.db2.gz SYKFQDQYBBGOPE-IKGGRYGDSA-N 2 1 266.473 3.523 20 0 CHADMP Cc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1C ZINC000036996278 1128404952 /nfs/dbraw/zinc/40/49/52/1128404952.db2.gz WOYMQABJYPSSRM-YTQUADARSA-N 2 1 286.463 3.889 20 0 CHADMP Cc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1C ZINC000036996278 1128404954 /nfs/dbraw/zinc/40/49/54/1128404954.db2.gz WOYMQABJYPSSRM-YTQUADARSA-N 2 1 286.463 3.889 20 0 CHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3ccccc3c2)CCN1C ZINC000123343329 1128410705 /nfs/dbraw/zinc/41/07/05/1128410705.db2.gz VDUVNDUAWYGGFI-KXBFYZLASA-N 2 1 282.431 3.754 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3ccccc3c2)CC[N@@H+]1C ZINC000123343329 1128410709 /nfs/dbraw/zinc/41/07/09/1128410709.db2.gz VDUVNDUAWYGGFI-KXBFYZLASA-N 2 1 282.431 3.754 20 0 CHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3ccccc3c2)CC[NH+]1C ZINC000123343329 1128410716 /nfs/dbraw/zinc/41/07/16/1128410716.db2.gz VDUVNDUAWYGGFI-KXBFYZLASA-N 2 1 282.431 3.754 20 0 CHADMP CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798957015 1128421426 /nfs/dbraw/zinc/42/14/26/1128421426.db2.gz IMPDUKWKURTQHO-ROUUACIJSA-N 2 1 290.495 3.787 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000124359138 1128444039 /nfs/dbraw/zinc/44/40/39/1128444039.db2.gz FZQQOLQUSGVXGG-JKSUJKDBSA-N 2 1 298.474 3.700 20 0 CHADMP CCCC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000037648876 1128434465 /nfs/dbraw/zinc/43/44/65/1128434465.db2.gz FTSNKAOAMDKEAU-VQIMIIECSA-N 2 1 286.463 3.992 20 0 CHADMP C[C@H]1CCC[C@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)C1 ZINC000037860328 1128436557 /nfs/dbraw/zinc/43/65/57/1128436557.db2.gz XZKNSAMXOHTQLX-HOTGVXAUSA-N 2 1 266.473 3.809 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000126465104 1128464319 /nfs/dbraw/zinc/46/43/19/1128464319.db2.gz NCPKRUJIJSRFHA-RDTXWAMCSA-N 2 1 272.436 3.699 20 0 CHADMP CC[C@H](Cc1ccccc1)[N@H+](C)CCCn1cc[nH+]c1C ZINC000127376794 1128477415 /nfs/dbraw/zinc/47/74/15/1128477415.db2.gz LGQCCKNUWHXKSK-GOSISDBHSA-N 2 1 285.435 3.535 20 0 CHADMP CC[C@H](Cc1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000127376794 1128477417 /nfs/dbraw/zinc/47/74/17/1128477417.db2.gz LGQCCKNUWHXKSK-GOSISDBHSA-N 2 1 285.435 3.535 20 0 CHADMP CC(C)c1ccc(CC[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000563914502 1128485037 /nfs/dbraw/zinc/48/50/37/1128485037.db2.gz CVXIMAPULGPMAA-GOSISDBHSA-N 2 1 288.479 3.672 20 0 CHADMP CC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000128075575 1128486679 /nfs/dbraw/zinc/48/66/79/1128486679.db2.gz ACITXVRDGWEADH-IEBWSBKVSA-N 2 1 286.463 3.819 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](F)C2)C[C@@H]1c1ccccc1 ZINC000564965914 1128517489 /nfs/dbraw/zinc/51/74/89/1128517489.db2.gz MGUAPLJIGHTJJJ-ZJPYXAASSA-N 2 1 290.426 3.692 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](F)C2)C[C@@H]1c1ccccc1 ZINC000564965914 1128517491 /nfs/dbraw/zinc/51/74/91/1128517491.db2.gz MGUAPLJIGHTJJJ-ZJPYXAASSA-N 2 1 290.426 3.692 20 0 CHADMP CC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000564959427 1128518070 /nfs/dbraw/zinc/51/80/70/1128518070.db2.gz XHHLRDIWQMRFBA-SFHVURJKSA-N 2 1 298.474 3.963 20 0 CHADMP CC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000564959427 1128518073 /nfs/dbraw/zinc/51/80/73/1128518073.db2.gz XHHLRDIWQMRFBA-SFHVURJKSA-N 2 1 298.474 3.963 20 0 CHADMP Cc1ccccc1C1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000565166499 1128521023 /nfs/dbraw/zinc/52/10/23/1128521023.db2.gz UGTDCGRPZJUOCY-UHFFFAOYSA-N 2 1 297.446 3.541 20 0 CHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]CC2(C)CC2)CC1 ZINC000565692263 1128531423 /nfs/dbraw/zinc/53/14/23/1128531423.db2.gz HMFBTUHYIUDWGO-HNNXBMFYSA-N 2 1 272.436 3.602 20 0 CHADMP CC(C)[NH+](CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C(C)C ZINC000069376354 1128538753 /nfs/dbraw/zinc/53/87/53/1128538753.db2.gz VZHHTQQIOKEXNS-KGLIPLIRSA-N 2 1 294.405 3.816 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC[N@@H+]1C ZINC000129714882 1128554400 /nfs/dbraw/zinc/55/44/00/1128554400.db2.gz CSTGYHICZNBFQO-OAUYIBNBSA-N 2 1 292.854 3.863 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC[N@H+]1C ZINC000129714882 1128554402 /nfs/dbraw/zinc/55/44/02/1128554402.db2.gz CSTGYHICZNBFQO-OAUYIBNBSA-N 2 1 292.854 3.863 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@H+]1C[C@H]2CCCN(C)[C@H]2C1 ZINC001257484811 1128503027 /nfs/dbraw/zinc/50/30/27/1128503027.db2.gz DZVYUAZLJVBWKD-NXOAAHMSSA-N 2 1 266.473 3.617 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)c3c2cccc3C)CC1 ZINC000152627434 1128614811 /nfs/dbraw/zinc/61/48/11/1128614811.db2.gz AMGMWHGOZXHJQP-RHSMWYFYSA-N 2 1 272.436 3.617 20 0 CHADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000569230037 1128601894 /nfs/dbraw/zinc/60/18/94/1128601894.db2.gz OATCLISOQASWKA-PMACEKPBSA-N 2 1 294.442 3.920 20 0 CHADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000569230037 1128601897 /nfs/dbraw/zinc/60/18/97/1128601897.db2.gz OATCLISOQASWKA-PMACEKPBSA-N 2 1 294.442 3.920 20 0 CHADMP CCC1CC([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000556588926 1128605857 /nfs/dbraw/zinc/60/58/57/1128605857.db2.gz NWOHIDNGZUNYPY-UHFFFAOYSA-N 2 1 274.452 3.805 20 0 CHADMP CC(C)c1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000570320067 1128621500 /nfs/dbraw/zinc/62/15/00/1128621500.db2.gz YCUDVRHGEFXMQP-OALUTQOASA-N 2 1 286.463 3.726 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCC2)[C@@H]2CCCSC2)CC1 ZINC001257665891 1128624733 /nfs/dbraw/zinc/62/47/33/1128624733.db2.gz HJENRRFMBQQXHW-BRWVUGGUSA-N 2 1 296.524 3.644 20 0 CHADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)CCn1ccnc1 ZINC000499053624 1128635758 /nfs/dbraw/zinc/63/57/58/1128635758.db2.gz NKMIPNFTMNBEJB-SFHVURJKSA-N 2 1 285.435 3.535 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CCC2=CCCCCC2)[C@@H]2CCC[C@H]21 ZINC000556892945 1128635072 /nfs/dbraw/zinc/63/50/72/1128635072.db2.gz QLKRTSLOHFASGO-OKZBNKHCSA-N 2 1 276.468 3.729 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)Cc2ccccc2)[C@H](C)C1 ZINC000132458582 1128650580 /nfs/dbraw/zinc/65/05/80/1128650580.db2.gz HJZIXHJFBXGGFP-SCTDSRPQSA-N 2 1 288.479 3.527 20 0 CHADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000577814714 1128690397 /nfs/dbraw/zinc/69/03/97/1128690397.db2.gz WZHDWOPDRMOYPR-AYOQOUSVSA-N 2 1 286.463 3.802 20 0 CHADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001258053855 1128708109 /nfs/dbraw/zinc/70/81/09/1128708109.db2.gz XCRGNFWGLBIRIW-XHSDSOJGSA-N 2 1 254.462 3.521 20 0 CHADMP CC(C)C[C@@H](C)C[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001258054632 1128711345 /nfs/dbraw/zinc/71/13/45/1128711345.db2.gz FQFKUFLRQZYADK-HUUCEWRRSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H](C)CC2CCCCC2)C1 ZINC000578401320 1128717098 /nfs/dbraw/zinc/71/70/98/1128717098.db2.gz GHWWMBRYIOEQRG-WMZOPIPTSA-N 2 1 280.500 3.913 20 0 CHADMP [NH3+][C@H]1CC[N@H+](CCCC2CCCCC2)C[C@@H]1C(F)(F)F ZINC001236351015 1128727892 /nfs/dbraw/zinc/72/78/92/1128727892.db2.gz FGZNWGZPMOKPHP-KBPBESRZSA-N 2 1 292.389 3.558 20 0 CHADMP [NH3+][C@H]1CC[N@@H+](CCCC2CCCCC2)C[C@@H]1C(F)(F)F ZINC001236351015 1128727896 /nfs/dbraw/zinc/72/78/96/1128727896.db2.gz FGZNWGZPMOKPHP-KBPBESRZSA-N 2 1 292.389 3.558 20 0 CHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CC3CCCC3)CC23CC3)cc1 ZINC000578891161 1128731836 /nfs/dbraw/zinc/73/18/36/1128731836.db2.gz GRZGVVAPBXKQMU-LJQANCHMSA-N 2 1 298.474 3.963 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CC3CCCC3)CC23CC3)cc1 ZINC000578891161 1128731838 /nfs/dbraw/zinc/73/18/38/1128731838.db2.gz GRZGVVAPBXKQMU-LJQANCHMSA-N 2 1 298.474 3.963 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000034958898 1117753597 /nfs/dbraw/zinc/75/35/97/1117753597.db2.gz LXPBAYLEKRELBB-GVZPALNKSA-N 2 1 278.827 3.616 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1F ZINC000643548615 1117800026 /nfs/dbraw/zinc/80/00/26/1117800026.db2.gz RYWAODRKCNPACT-BBRMVZONSA-N 2 1 276.399 3.541 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]C(C)(C)c1ccccc1C ZINC000339486324 1117807127 /nfs/dbraw/zinc/80/71/27/1117807127.db2.gz RVPGSCZUEJPWDQ-UHFFFAOYSA-N 2 1 285.435 3.805 20 0 CHADMP C[C@@H](CCC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000671295789 1117812185 /nfs/dbraw/zinc/81/21/85/1117812185.db2.gz ZLIHRYZREIAQQX-LSDHHAIUSA-N 2 1 266.473 3.808 20 0 CHADMP C[C@@H](CCC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000671295789 1117812192 /nfs/dbraw/zinc/81/21/92/1117812192.db2.gz ZLIHRYZREIAQQX-LSDHHAIUSA-N 2 1 266.473 3.808 20 0 CHADMP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623342885 1117835157 /nfs/dbraw/zinc/83/51/57/1117835157.db2.gz SVQBOXXCGKOXOV-HUUCEWRRSA-N 2 1 290.451 3.527 20 0 CHADMP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623342885 1117835166 /nfs/dbraw/zinc/83/51/66/1117835166.db2.gz SVQBOXXCGKOXOV-HUUCEWRRSA-N 2 1 290.451 3.527 20 0 CHADMP CC(C)[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623343533 1117835745 /nfs/dbraw/zinc/83/57/45/1117835745.db2.gz YXDNNTHIPYEFSD-IAGOWNOFSA-N 2 1 292.442 3.985 20 0 CHADMP Cc1cc(C)c(CNc2cccc(C[NH+](C)C)c2)c(C)[nH+]1 ZINC000634573756 1117838995 /nfs/dbraw/zinc/83/89/95/1117838995.db2.gz FOKFQGBTOFVUEV-UHFFFAOYSA-N 2 1 283.419 3.681 20 0 CHADMP CC(C)[N@@H+](C)CCCNCc1ccsc1C(F)(F)F ZINC000623351093 1117840149 /nfs/dbraw/zinc/84/01/49/1117840149.db2.gz ARYDDPAXVIHWQC-UHFFFAOYSA-N 2 1 294.386 3.587 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)[C@@H]1C[C@H]1C1CC1 ZINC000623358059 1117840695 /nfs/dbraw/zinc/84/06/95/1117840695.db2.gz MPLZJICUJIHWTP-LMSBXDPUSA-N 2 1 278.484 3.665 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623384665 1117847423 /nfs/dbraw/zinc/84/74/23/1117847423.db2.gz CLARFDOECNKVLE-HZPDHXFCSA-N 2 1 260.425 3.600 20 0 CHADMP CC/C=C\CCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001236364573 1128738393 /nfs/dbraw/zinc/73/83/93/1128738393.db2.gz YWBPIOUELJATHQ-KBIGUFJUSA-N 2 1 292.389 3.725 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001236364573 1128738395 /nfs/dbraw/zinc/73/83/95/1128738395.db2.gz YWBPIOUELJATHQ-KBIGUFJUSA-N 2 1 292.389 3.725 20 0 CHADMP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623398481 1117849748 /nfs/dbraw/zinc/84/97/48/1117849748.db2.gz HIANBRXWPOAQKP-PMPSAXMXSA-N 2 1 266.473 3.808 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]C2CC(C)(c3ccccc3)C2)CC1(C)C ZINC000623417584 1117853099 /nfs/dbraw/zinc/85/30/99/1117853099.db2.gz FDYBJZDCIWDZRV-LRYGQEGESA-N 2 1 286.463 3.569 20 0 CHADMP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623438995 1117857221 /nfs/dbraw/zinc/85/72/21/1117857221.db2.gz RTXOPZKXOXGJPN-YQQAZPJKSA-N 2 1 274.452 3.641 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc3ccsc32)CC1(C)C ZINC000623558753 1117871219 /nfs/dbraw/zinc/87/12/19/1117871219.db2.gz HSGNZDADABKKDP-OAHLLOKOSA-N 2 1 288.460 3.864 20 0 CHADMP CC[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623562587 1117872904 /nfs/dbraw/zinc/87/29/04/1117872904.db2.gz WGHPAZYDVACCJC-IRXDYDNUSA-N 2 1 292.442 3.609 20 0 CHADMP CCCc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)s1 ZINC000623657003 1117885148 /nfs/dbraw/zinc/88/51/48/1117885148.db2.gz HKLVRVDUDGHPNI-CQSZACIVSA-N 2 1 280.481 3.522 20 0 CHADMP Cc1ccc2[nH]c(C[N@H+](C)[C@H]3CCN(C)C[C@@H]3C)cc2c1C ZINC000579287474 1128743478 /nfs/dbraw/zinc/74/34/78/1128743478.db2.gz FUUNZAHPJHAQJZ-LIRRHRJNSA-N 2 1 299.462 3.557 20 0 CHADMP Cc1ccc2[nH]c(CN(C)[C@H]3CC[N@@H+](C)C[C@@H]3C)cc2c1C ZINC000579287474 1128743481 /nfs/dbraw/zinc/74/34/81/1128743481.db2.gz FUUNZAHPJHAQJZ-LIRRHRJNSA-N 2 1 299.462 3.557 20 0 CHADMP Cc1ccc2[nH]c(CN(C)[C@H]3CC[N@H+](C)C[C@@H]3C)cc2c1C ZINC000579287474 1128743483 /nfs/dbraw/zinc/74/34/83/1128743483.db2.gz FUUNZAHPJHAQJZ-LIRRHRJNSA-N 2 1 299.462 3.557 20 0 CHADMP Cc1ccc2[nH]c(C[NH+](C)[C@H]3CC[N@@H+](C)C[C@@H]3C)cc2c1C ZINC000579287474 1128743486 /nfs/dbraw/zinc/74/34/86/1128743486.db2.gz FUUNZAHPJHAQJZ-LIRRHRJNSA-N 2 1 299.462 3.557 20 0 CHADMP Cc1ccc2[nH]c(C[NH+](C)[C@H]3CC[N@H+](C)C[C@@H]3C)cc2c1C ZINC000579287474 1128743490 /nfs/dbraw/zinc/74/34/90/1128743490.db2.gz FUUNZAHPJHAQJZ-LIRRHRJNSA-N 2 1 299.462 3.557 20 0 CHADMP Cc1ccc2[nH]c(C[N@@H+](C)[C@H]3CC[NH+](C)C[C@@H]3C)cc2c1C ZINC000579287474 1128743492 /nfs/dbraw/zinc/74/34/92/1128743492.db2.gz FUUNZAHPJHAQJZ-LIRRHRJNSA-N 2 1 299.462 3.557 20 0 CHADMP Cc1ccc2[nH]c(C[N@H+](C)[C@H]3CC[NH+](C)C[C@@H]3C)cc2c1C ZINC000579287474 1128743494 /nfs/dbraw/zinc/74/34/94/1128743494.db2.gz FUUNZAHPJHAQJZ-LIRRHRJNSA-N 2 1 299.462 3.557 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2(c3ccc(Cl)cc3)CCC2)CC[N@@H+]1C ZINC000180355571 1117928637 /nfs/dbraw/zinc/92/86/37/1117928637.db2.gz CYPSMFXOKLFXCK-CJNGLKHVSA-N 2 1 292.854 3.792 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2(c3ccc(Cl)cc3)CCC2)CC[N@H+]1C ZINC000180355571 1117928639 /nfs/dbraw/zinc/92/86/39/1117928639.db2.gz CYPSMFXOKLFXCK-CJNGLKHVSA-N 2 1 292.854 3.792 20 0 CHADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)nc2)CC1 ZINC000179115283 1117932258 /nfs/dbraw/zinc/93/22/58/1117932258.db2.gz PUNRVQBRSCGIBR-CYBMUJFWSA-N 2 1 295.858 3.650 20 0 CHADMP C[NH+]1CCC([NH2+]CC(C)(C)c2ccc3ccccc3c2)CC1 ZINC000623784843 1117932243 /nfs/dbraw/zinc/93/22/43/1117932243.db2.gz MJTKPLLWPYECIA-UHFFFAOYSA-N 2 1 296.458 3.801 20 0 CHADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(C)ccc1C ZINC000623928245 1117955107 /nfs/dbraw/zinc/95/51/07/1117955107.db2.gz JHUNBRVHJGBDIA-GOSISDBHSA-N 2 1 272.436 3.606 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc2c(s1)CCC2 ZINC000624122591 1117984639 /nfs/dbraw/zinc/98/46/39/1117984639.db2.gz WKDLXZQFWUSMBR-KGLIPLIRSA-N 2 1 292.492 3.619 20 0 CHADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCc3cc(F)ccc32)C1 ZINC000624122278 1117984657 /nfs/dbraw/zinc/98/46/57/1117984657.db2.gz NPWGTFIRPJKSTN-KSSFIOAISA-N 2 1 290.426 3.525 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(F)c(Cl)c1 ZINC000624120711 1117985582 /nfs/dbraw/zinc/98/55/82/1117985582.db2.gz FPMDBIBTOOTLDO-CHWSQXEVSA-N 2 1 298.833 3.862 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc2c(s1)CCC2 ZINC000624122593 1117985703 /nfs/dbraw/zinc/98/57/03/1117985703.db2.gz WKDLXZQFWUSMBR-ZIAGYGMSSA-N 2 1 292.492 3.619 20 0 CHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCc3cc(F)ccc32)C1 ZINC000624122279 1117986128 /nfs/dbraw/zinc/98/61/28/1117986128.db2.gz NPWGTFIRPJKSTN-RDTXWAMCSA-N 2 1 290.426 3.525 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc2ccccc2n1 ZINC000624121133 1117986251 /nfs/dbraw/zinc/98/62/51/1117986251.db2.gz OSMMTOFMSXXUQP-JKSUJKDBSA-N 2 1 297.446 3.617 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc2ccccc2n1 ZINC000624121133 1117986256 /nfs/dbraw/zinc/98/62/56/1117986256.db2.gz OSMMTOFMSXXUQP-JKSUJKDBSA-N 2 1 297.446 3.617 20 0 CHADMP CC[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624124831 1117986606 /nfs/dbraw/zinc/98/66/06/1117986606.db2.gz LYBOPJUAEIFHEC-OALUTQOASA-N 2 1 288.479 3.719 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)c2ccccc21 ZINC000624123330 1117987599 /nfs/dbraw/zinc/98/75/99/1117987599.db2.gz JYONPNPOVWKHCG-IIDMSEBBSA-N 2 1 272.436 3.556 20 0 CHADMP CC[C@H](c1ccc(F)cc1F)[N@@H+](C)CCCn1ccnc1 ZINC000181085716 1117993693 /nfs/dbraw/zinc/99/36/93/1117993693.db2.gz FXJBNQDMPMOCDX-MRXNPFEDSA-N 2 1 293.361 3.635 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3C=CCCC3)CC23CC3)cc1 ZINC000579472656 1128749248 /nfs/dbraw/zinc/74/92/48/1128749248.db2.gz HYOPWQDAEBMBNH-MOPGFXCFSA-N 2 1 296.458 3.882 20 0 CHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3C=CCCC3)CC23CC3)cc1 ZINC000579472656 1128749252 /nfs/dbraw/zinc/74/92/52/1128749252.db2.gz HYOPWQDAEBMBNH-MOPGFXCFSA-N 2 1 296.458 3.882 20 0 CHADMP Cc1c(C)c(C)c(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c(C)c1C ZINC000537949931 1118007683 /nfs/dbraw/zinc/00/76/83/1118007683.db2.gz BZPSEXYGMLOCOD-BUXKBTBVSA-N 2 1 288.479 3.659 20 0 CHADMP CC[N@H+](C)C[C@H]1CC[NH+](CCCc2ccccc2Cl)C1 ZINC000181954322 1118010366 /nfs/dbraw/zinc/01/03/66/1118010366.db2.gz SAQUJZLALXIFLC-OAHLLOKOSA-N 2 1 294.870 3.546 20 0 CHADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCc2ccccc2Cl)C1 ZINC000181954322 1118010370 /nfs/dbraw/zinc/01/03/70/1118010370.db2.gz SAQUJZLALXIFLC-OAHLLOKOSA-N 2 1 294.870 3.546 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCc2ccccc2Cl)C1 ZINC000181954322 1118010373 /nfs/dbraw/zinc/01/03/73/1118010373.db2.gz SAQUJZLALXIFLC-OAHLLOKOSA-N 2 1 294.870 3.546 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCc2ccccc2Cl)C1 ZINC000181954322 1118010377 /nfs/dbraw/zinc/01/03/77/1118010377.db2.gz SAQUJZLALXIFLC-OAHLLOKOSA-N 2 1 294.870 3.546 20 0 CHADMP CC(C)(C)c1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037408233 1118012276 /nfs/dbraw/zinc/01/22/76/1118012276.db2.gz HVYGSQCTGSUPMN-MRXNPFEDSA-N 2 1 286.463 3.558 20 0 CHADMP CSc1cccc(Cl)c1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206812547 1118019053 /nfs/dbraw/zinc/01/90/53/1118019053.db2.gz ZJQQXMIDXWCSQQ-VXGBXAGGSA-N 2 1 298.883 3.621 20 0 CHADMP CSc1cccc(Cl)c1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206812547 1118019059 /nfs/dbraw/zinc/01/90/59/1118019059.db2.gz ZJQQXMIDXWCSQQ-VXGBXAGGSA-N 2 1 298.883 3.621 20 0 CHADMP CCCC[C@H](CC)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000183629290 1118046446 /nfs/dbraw/zinc/04/64/46/1118046446.db2.gz ZBJSZVQPNYXXNZ-OWCLPIDISA-N 2 1 254.462 3.617 20 0 CHADMP CCCC[C@H](CC)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000183629290 1118046452 /nfs/dbraw/zinc/04/64/52/1118046452.db2.gz ZBJSZVQPNYXXNZ-OWCLPIDISA-N 2 1 254.462 3.617 20 0 CHADMP CCCC[C@H](CC)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000183629290 1118046456 /nfs/dbraw/zinc/04/64/56/1118046456.db2.gz ZBJSZVQPNYXXNZ-OWCLPIDISA-N 2 1 254.462 3.617 20 0 CHADMP CCCC[C@H](CC)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000183629290 1118046462 /nfs/dbraw/zinc/04/64/62/1118046462.db2.gz ZBJSZVQPNYXXNZ-OWCLPIDISA-N 2 1 254.462 3.617 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000366219544 1118052385 /nfs/dbraw/zinc/05/23/85/1118052385.db2.gz ASEBSVDIPJDWPT-SJLPKXTDSA-N 2 1 298.430 3.842 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000366219544 1118052392 /nfs/dbraw/zinc/05/23/92/1118052392.db2.gz ASEBSVDIPJDWPT-SJLPKXTDSA-N 2 1 298.430 3.842 20 0 CHADMP CCC[C@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccccn1 ZINC000184501034 1118054841 /nfs/dbraw/zinc/05/48/41/1118054841.db2.gz JDCGLMATYOOJHK-IRXDYDNUSA-N 2 1 289.467 3.777 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H]1CCCN(C)C1 ZINC000247029992 1118065357 /nfs/dbraw/zinc/06/53/57/1118065357.db2.gz RBDBHVOXEIJBHP-WMLDXEAASA-N 2 1 278.415 3.550 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247029992 1118065361 /nfs/dbraw/zinc/06/53/61/1118065361.db2.gz RBDBHVOXEIJBHP-WMLDXEAASA-N 2 1 278.415 3.550 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247029992 1118065365 /nfs/dbraw/zinc/06/53/65/1118065365.db2.gz RBDBHVOXEIJBHP-WMLDXEAASA-N 2 1 278.415 3.550 20 0 CHADMP Cc1cc([C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c(C)o1 ZINC000562592685 1118067432 /nfs/dbraw/zinc/06/74/32/1118067432.db2.gz RLXVJPLCYLOVIF-BBRMVZONSA-N 2 1 280.456 3.913 20 0 CHADMP CCC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398144260 1118088557 /nfs/dbraw/zinc/08/85/57/1118088557.db2.gz NJZYINDYJAWFAU-AEFFLSMTSA-N 2 1 288.479 3.923 20 0 CHADMP CCC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398144260 1118088561 /nfs/dbraw/zinc/08/85/61/1118088561.db2.gz NJZYINDYJAWFAU-AEFFLSMTSA-N 2 1 288.479 3.923 20 0 CHADMP CC(C)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398156481 1118089829 /nfs/dbraw/zinc/08/98/29/1118089829.db2.gz QYFNYMXZKJMYBG-HKUYNNGSSA-N 2 1 288.479 3.923 20 0 CHADMP CC(C)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398156481 1118089832 /nfs/dbraw/zinc/08/98/32/1118089832.db2.gz QYFNYMXZKJMYBG-HKUYNNGSSA-N 2 1 288.479 3.923 20 0 CHADMP CC(C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398208697 1118098799 /nfs/dbraw/zinc/09/87/99/1118098799.db2.gz RTKZQEDLQXOMFK-AEFFLSMTSA-N 2 1 274.452 3.533 20 0 CHADMP CC(C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398208697 1118098804 /nfs/dbraw/zinc/09/88/04/1118098804.db2.gz RTKZQEDLQXOMFK-AEFFLSMTSA-N 2 1 274.452 3.533 20 0 CHADMP CC(C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398208702 1118099111 /nfs/dbraw/zinc/09/91/11/1118099111.db2.gz RTKZQEDLQXOMFK-SJLPKXTDSA-N 2 1 274.452 3.533 20 0 CHADMP CC(C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398208702 1118099118 /nfs/dbraw/zinc/09/91/18/1118099118.db2.gz RTKZQEDLQXOMFK-SJLPKXTDSA-N 2 1 274.452 3.533 20 0 CHADMP CC(C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398208699 1118099731 /nfs/dbraw/zinc/09/97/31/1118099731.db2.gz RTKZQEDLQXOMFK-FUHWJXTLSA-N 2 1 274.452 3.533 20 0 CHADMP CC(C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398208699 1118099734 /nfs/dbraw/zinc/09/97/34/1118099734.db2.gz RTKZQEDLQXOMFK-FUHWJXTLSA-N 2 1 274.452 3.533 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCCC12CCCC2 ZINC000340232331 1118117620 /nfs/dbraw/zinc/11/76/20/1118117620.db2.gz RYDCSHORZIMGCJ-RDJZCZTQSA-N 2 1 289.467 3.920 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)CS1 ZINC000655691303 1118184524 /nfs/dbraw/zinc/18/45/24/1118184524.db2.gz SQNBMPPGZFDEAK-OAGGEKHMSA-N 2 1 284.513 3.515 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CC[C@@H](C)SC2)C1 ZINC000655692557 1118185289 /nfs/dbraw/zinc/18/52/89/1118185289.db2.gz QLPFFANFZGLEHY-YYIAUSFCSA-N 2 1 298.540 3.618 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CC[C@H](C)SC2)C1 ZINC000655692554 1118185929 /nfs/dbraw/zinc/18/59/29/1118185929.db2.gz QLPFFANFZGLEHY-VVLHAWIVSA-N 2 1 298.540 3.618 20 0 CHADMP Cc1cccc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000037200202 1118229040 /nfs/dbraw/zinc/22/90/40/1118229040.db2.gz STIGOBVCIFICMA-IRXDYDNUSA-N 2 1 274.452 3.910 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCCC1(C)C ZINC000164716682 1118231486 /nfs/dbraw/zinc/23/14/86/1118231486.db2.gz TYWAWKAZIDXXDZ-OAHLLOKOSA-N 2 1 263.429 3.530 20 0 CHADMP CC[C@@H](Cc1ccccc1)[N@H+](CC)CCCc1c[nH+]cn1C ZINC000579974447 1118266977 /nfs/dbraw/zinc/26/69/77/1118266977.db2.gz GIPSIVCQMBYMDF-SFHVURJKSA-N 2 1 299.462 3.696 20 0 CHADMP CC[C@@H](Cc1ccccc1)[N@@H+](CC)CCCc1c[nH+]cn1C ZINC000579974447 1118266979 /nfs/dbraw/zinc/26/69/79/1118266979.db2.gz GIPSIVCQMBYMDF-SFHVURJKSA-N 2 1 299.462 3.696 20 0 CHADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1CCC[NH+](CC)CC ZINC001652547107 1118271735 /nfs/dbraw/zinc/27/17/35/1118271735.db2.gz WYCFHWVVRXZAKR-HOTGVXAUSA-N 2 1 254.462 3.619 20 0 CHADMP CC[C@@H](C)[C@H]1CCCC[N@H+]1CCC[NH+](CC)CC ZINC001652547108 1118272356 /nfs/dbraw/zinc/27/23/56/1118272356.db2.gz WYCFHWVVRXZAKR-HZPDHXFCSA-N 2 1 254.462 3.619 20 0 CHADMP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000655940932 1118277364 /nfs/dbraw/zinc/27/73/64/1118277364.db2.gz HUMMJHCVTIBNBS-PBHICJAKSA-N 2 1 292.854 3.612 20 0 CHADMP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000655940932 1118277366 /nfs/dbraw/zinc/27/73/66/1118277366.db2.gz HUMMJHCVTIBNBS-PBHICJAKSA-N 2 1 292.854 3.612 20 0 CHADMP CC[C@@H](C)C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001236453526 1128771202 /nfs/dbraw/zinc/77/12/02/1128771202.db2.gz ROSILYUVZDXTGI-CQSZACIVSA-N 2 1 294.870 3.940 20 0 CHADMP CC[C@H](C)CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000394475265 1118354612 /nfs/dbraw/zinc/35/46/12/1118354612.db2.gz MPTGCPYXNVKFOI-INIZCTEOSA-N 2 1 274.452 3.677 20 0 CHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719760 1118376119 /nfs/dbraw/zinc/37/61/19/1118376119.db2.gz OAPNNWKCFSHYIT-IAGOWNOFSA-N 2 1 272.436 3.555 20 0 CHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc2cnccc2c1 ZINC000683831435 1118398064 /nfs/dbraw/zinc/39/80/64/1118398064.db2.gz XOGXBKHZSILDBV-LJQANCHMSA-N 2 1 297.446 3.541 20 0 CHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc2cnccc2c1 ZINC000683831435 1118398068 /nfs/dbraw/zinc/39/80/68/1118398068.db2.gz XOGXBKHZSILDBV-LJQANCHMSA-N 2 1 297.446 3.541 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc2cnccc2c1 ZINC000683831435 1118398072 /nfs/dbraw/zinc/39/80/72/1118398072.db2.gz XOGXBKHZSILDBV-LJQANCHMSA-N 2 1 297.446 3.541 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc2cnccc2c1 ZINC000683831435 1118398077 /nfs/dbraw/zinc/39/80/77/1118398077.db2.gz XOGXBKHZSILDBV-LJQANCHMSA-N 2 1 297.446 3.541 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)C/C(C)=C\c2ccccc2)CC1 ZINC000255425739 1118425730 /nfs/dbraw/zinc/42/57/30/1118425730.db2.gz HBVRBBSZLMVPIE-ICFOKQHNSA-N 2 1 286.463 3.896 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000683926928 1118446293 /nfs/dbraw/zinc/44/62/93/1118446293.db2.gz AXQZNFXNQLFOIJ-MRXNPFEDSA-N 2 1 299.462 3.770 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000683928638 1118447482 /nfs/dbraw/zinc/44/74/82/1118447482.db2.gz UMQDDBCNZDAGKB-INIZCTEOSA-N 2 1 299.462 3.626 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000683927930 1118447731 /nfs/dbraw/zinc/44/77/31/1118447731.db2.gz RTLWKILVCXURFI-IYBDPMFKSA-N 2 1 299.462 3.626 20 0 CHADMP CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398221894 1118500584 /nfs/dbraw/zinc/50/05/84/1118500584.db2.gz WLURAPPLWUSSDJ-SOLBZPMBSA-N 2 1 274.452 3.675 20 0 CHADMP CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398221894 1118500587 /nfs/dbraw/zinc/50/05/87/1118500587.db2.gz WLURAPPLWUSSDJ-SOLBZPMBSA-N 2 1 274.452 3.675 20 0 CHADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH2+]C2CCCCCCC2)cc1 ZINC000398283535 1118512933 /nfs/dbraw/zinc/51/29/33/1118512933.db2.gz BBJUSVCFBAPJJP-PMOLBWCYSA-N 2 1 298.474 3.819 20 0 CHADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH2+]C2CCCCCCC2)cc1 ZINC000398283535 1118512936 /nfs/dbraw/zinc/51/29/36/1118512936.db2.gz BBJUSVCFBAPJJP-PMOLBWCYSA-N 2 1 298.474 3.819 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCC(C)(C)C)C1 ZINC000306041021 1118584015 /nfs/dbraw/zinc/58/40/15/1118584015.db2.gz NGRJOWRHOPDJFB-GJZGRUSLSA-N 2 1 254.462 3.521 20 0 CHADMP Clc1sccc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656781972 1118654625 /nfs/dbraw/zinc/65/46/25/1118654625.db2.gz BKMXFRAGDHFNDG-CYBMUJFWSA-N 2 1 298.883 3.613 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C1CCC(F)(F)CC1 ZINC000647171161 1118658566 /nfs/dbraw/zinc/65/85/66/1118658566.db2.gz BMTRJGMZASICSR-AWEZNQCLSA-N 2 1 288.426 3.809 20 0 CHADMP CC(C)[C@H]1C[C@H](C[NH2+]C2CC[NH+](C)CC2)c2ccccc21 ZINC000341386107 1118682774 /nfs/dbraw/zinc/68/27/74/1118682774.db2.gz YJCXZGFMUBQMOZ-DNVCBOLYSA-N 2 1 286.463 3.597 20 0 CHADMP CCc1ccc([C@@H]([NH2+]CCc2c[nH+]cn2C)C(C)C)cc1 ZINC000471755882 1118714007 /nfs/dbraw/zinc/71/40/07/1118714007.db2.gz GWQHULBKGOKKBH-SFHVURJKSA-N 2 1 285.435 3.512 20 0 CHADMP C[C@H]1C[C@H](Nc2cc[nH+]c3cc(Cl)ccc23)CC[N@@H+]1C ZINC000090795109 1118764847 /nfs/dbraw/zinc/76/48/47/1118764847.db2.gz LZTUEMMSYUYEJR-WCQYABFASA-N 2 1 289.810 3.783 20 0 CHADMP C[C@H]1C[C@H](Nc2cc[nH+]c3cc(Cl)ccc23)CC[N@H+]1C ZINC000090795109 1118764849 /nfs/dbraw/zinc/76/48/49/1118764849.db2.gz LZTUEMMSYUYEJR-WCQYABFASA-N 2 1 289.810 3.783 20 0 CHADMP CCC[N@@H+](CCc1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC000431065572 1118819002 /nfs/dbraw/zinc/81/90/02/1118819002.db2.gz JNWYNWBTJJPCRH-UHFFFAOYSA-N 2 1 296.458 3.846 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000535765368 1118881338 /nfs/dbraw/zinc/88/13/38/1118881338.db2.gz KYCVIAVIXJGZQC-RYQLBKOJSA-N 2 1 289.467 3.872 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000535765368 1118881344 /nfs/dbraw/zinc/88/13/44/1118881344.db2.gz KYCVIAVIXJGZQC-RYQLBKOJSA-N 2 1 289.467 3.872 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000535765366 1118881497 /nfs/dbraw/zinc/88/14/97/1118881497.db2.gz KYCVIAVIXJGZQC-JQHSSLGASA-N 2 1 289.467 3.872 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000535765366 1118881504 /nfs/dbraw/zinc/88/15/04/1118881504.db2.gz KYCVIAVIXJGZQC-JQHSSLGASA-N 2 1 289.467 3.872 20 0 CHADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCCC(C)(C)C3)CC[C@@H]21 ZINC000535808489 1118891000 /nfs/dbraw/zinc/89/10/00/1118891000.db2.gz IJBDOWDOBHAMGN-BBWFWOEESA-N 2 1 278.484 3.619 20 0 CHADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CCCC(C)(C)C3)CC[C@@H]21 ZINC000535808489 1118891007 /nfs/dbraw/zinc/89/10/07/1118891007.db2.gz IJBDOWDOBHAMGN-BBWFWOEESA-N 2 1 278.484 3.619 20 0 CHADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CCCC(C)(C)C3)CC[C@@H]21 ZINC000535808489 1118891013 /nfs/dbraw/zinc/89/10/13/1118891013.db2.gz IJBDOWDOBHAMGN-BBWFWOEESA-N 2 1 278.484 3.619 20 0 CHADMP Cc1ccc(C(C)(C)C[N@@H+](C)CC[C@H]2CCC[NH+]2C)cc1 ZINC001167504129 1118944243 /nfs/dbraw/zinc/94/42/43/1118944243.db2.gz IFVHUQMSLNNZJA-GOSISDBHSA-N 2 1 288.479 3.689 20 0 CHADMP Cc1ccc(C(C)(C)C[NH+](C)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001167504129 1118944244 /nfs/dbraw/zinc/94/42/44/1118944244.db2.gz IFVHUQMSLNNZJA-GOSISDBHSA-N 2 1 288.479 3.689 20 0 CHADMP Cc1ccc(C(C)(C)C[NH+](C)CC[C@H]2CCC[N@H+]2C)cc1 ZINC001167504129 1118944248 /nfs/dbraw/zinc/94/42/48/1118944248.db2.gz IFVHUQMSLNNZJA-GOSISDBHSA-N 2 1 288.479 3.689 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3CC[C@H]3C3CCC3)C2)cc1 ZINC000511011987 1118944855 /nfs/dbraw/zinc/94/48/55/1118944855.db2.gz IXNOXGNPGGZINW-HOJAQTOUSA-N 2 1 298.474 3.677 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)s1 ZINC000041631249 1118948644 /nfs/dbraw/zinc/94/86/44/1118948644.db2.gz XYBYEDPTSBFXTJ-GFCCVEGCSA-N 2 1 278.465 3.588 20 0 CHADMP CCSc1cccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000472048184 1118950126 /nfs/dbraw/zinc/95/01/26/1118950126.db2.gz OULQJWZRQYMKJW-PBHICJAKSA-N 2 1 292.492 3.619 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc2c(s1)CCC2 ZINC000119690769 1119002387 /nfs/dbraw/zinc/00/23/87/1119002387.db2.gz PEXIOEHQFNXPFY-LBPRGKRZSA-N 2 1 290.476 3.514 20 0 CHADMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C2CCCCCC2)cc1 ZINC000399647535 1119008964 /nfs/dbraw/zinc/00/89/64/1119008964.db2.gz OZLBRBCPSSTDGX-UFRUDQCGSA-N 2 1 298.474 3.819 20 0 CHADMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C2CCCCCC2)cc1 ZINC000399647535 1119008968 /nfs/dbraw/zinc/00/89/68/1119008968.db2.gz OZLBRBCPSSTDGX-UFRUDQCGSA-N 2 1 298.474 3.819 20 0 CHADMP c1cc2c(o1)CCC[C@H]2[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000152276679 1119025899 /nfs/dbraw/zinc/02/58/99/1119025899.db2.gz MEIUTDIOWZUJGL-QGZVFWFLSA-N 2 1 288.435 3.654 20 0 CHADMP CC(C)=CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001167552935 1119028214 /nfs/dbraw/zinc/02/82/14/1119028214.db2.gz AMENYSPXADIUKK-FQEVSTJZSA-N 2 1 298.474 3.941 20 0 CHADMP CC(C)=CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001167552935 1119028217 /nfs/dbraw/zinc/02/82/17/1119028217.db2.gz AMENYSPXADIUKK-FQEVSTJZSA-N 2 1 298.474 3.941 20 0 CHADMP CC(C)=CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001167552935 1119028220 /nfs/dbraw/zinc/02/82/20/1119028220.db2.gz AMENYSPXADIUKK-FQEVSTJZSA-N 2 1 298.474 3.941 20 0 CHADMP C[C@@H]1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207284742 1119044856 /nfs/dbraw/zinc/04/48/56/1119044856.db2.gz QIBGPNKKMNIOAT-QGZVFWFLSA-N 2 1 286.463 3.631 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2C[C@@H](C)c3ccccc32)C1 ZINC000582383126 1119064125 /nfs/dbraw/zinc/06/41/25/1119064125.db2.gz MHZPQVAWNXHILB-JTDSTZFVSA-N 2 1 286.463 3.945 20 0 CHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2SC)C1 ZINC000511110201 1119067193 /nfs/dbraw/zinc/06/71/93/1119067193.db2.gz LXCITDNXLHHWCL-HNNXBMFYSA-N 2 1 292.492 3.572 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2SC)C1 ZINC000511110201 1119067196 /nfs/dbraw/zinc/06/71/96/1119067196.db2.gz LXCITDNXLHHWCL-HNNXBMFYSA-N 2 1 292.492 3.572 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2SC)C1 ZINC000511110201 1119067198 /nfs/dbraw/zinc/06/71/98/1119067198.db2.gz LXCITDNXLHHWCL-HNNXBMFYSA-N 2 1 292.492 3.572 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2SC)C1 ZINC000511110201 1119067202 /nfs/dbraw/zinc/06/72/02/1119067202.db2.gz LXCITDNXLHHWCL-HNNXBMFYSA-N 2 1 292.492 3.572 20 0 CHADMP C(C[NH2+]C1CCCCC1)C[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000226144959 1119073840 /nfs/dbraw/zinc/07/38/40/1119073840.db2.gz YZJYVQVEXUKDFH-SJLPKXTDSA-N 2 1 278.484 3.953 20 0 CHADMP C(C[NH2+]C1CCCCC1)C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000226144959 1119073843 /nfs/dbraw/zinc/07/38/43/1119073843.db2.gz YZJYVQVEXUKDFH-SJLPKXTDSA-N 2 1 278.484 3.953 20 0 CHADMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000049554241 1119103879 /nfs/dbraw/zinc/10/38/79/1119103879.db2.gz XDRJGSKNDNLASX-RISCZKNCSA-N 2 1 298.883 3.807 20 0 CHADMP c1cc2cc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)ccc2[nH]1 ZINC000628181520 1128822277 /nfs/dbraw/zinc/82/22/77/1128822277.db2.gz GMWHKKLSDBKLSU-GOSISDBHSA-N 2 1 297.446 3.618 20 0 CHADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000472234700 1119135763 /nfs/dbraw/zinc/13/57/63/1119135763.db2.gz XCVQCWXMSONKDZ-AEFFLSMTSA-N 2 1 286.463 3.720 20 0 CHADMP Cc1cccc([C@@H](C)[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000472234700 1119135764 /nfs/dbraw/zinc/13/57/64/1119135764.db2.gz XCVQCWXMSONKDZ-AEFFLSMTSA-N 2 1 286.463 3.720 20 0 CHADMP Cc1cccc([C@@H](C)[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000472234700 1119135766 /nfs/dbraw/zinc/13/57/66/1119135766.db2.gz XCVQCWXMSONKDZ-AEFFLSMTSA-N 2 1 286.463 3.720 20 0 CHADMP Cc1cccc([C@H](C)[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000472234701 1119135890 /nfs/dbraw/zinc/13/58/90/1119135890.db2.gz XCVQCWXMSONKDZ-FUHWJXTLSA-N 2 1 286.463 3.720 20 0 CHADMP Cc1cccc([C@H](C)[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000472234701 1119135892 /nfs/dbraw/zinc/13/58/92/1119135892.db2.gz XCVQCWXMSONKDZ-FUHWJXTLSA-N 2 1 286.463 3.720 20 0 CHADMP Cc1cccc([C@H](C)[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000472234701 1119135894 /nfs/dbraw/zinc/13/58/94/1119135894.db2.gz XCVQCWXMSONKDZ-FUHWJXTLSA-N 2 1 286.463 3.720 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](C(C)(C)C)CC2)C1 ZINC000226554425 1119138406 /nfs/dbraw/zinc/13/84/06/1119138406.db2.gz PEFMSPPAMDWQOK-BRWVUGGUSA-N 2 1 280.500 3.913 20 0 CHADMP Cc1ccc([C@H](C)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000628190948 1128824217 /nfs/dbraw/zinc/82/42/17/1128824217.db2.gz VPYNNEGENMZAIL-BHIYHBOVSA-N 2 1 286.463 3.515 20 0 CHADMP Cc1ccc([C@H](C)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000628190948 1128824225 /nfs/dbraw/zinc/82/42/25/1128824225.db2.gz VPYNNEGENMZAIL-BHIYHBOVSA-N 2 1 286.463 3.515 20 0 CHADMP Cc1ccc([C@H](C)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000628190948 1128824231 /nfs/dbraw/zinc/82/42/31/1128824231.db2.gz VPYNNEGENMZAIL-BHIYHBOVSA-N 2 1 286.463 3.515 20 0 CHADMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccsc1 ZINC000050337883 1119179161 /nfs/dbraw/zinc/17/91/61/1119179161.db2.gz SCZLFAXYEFEIJR-HNNXBMFYSA-N 2 1 288.460 3.921 20 0 CHADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)C1CC(F)(F)C1 ZINC000628199902 1128827311 /nfs/dbraw/zinc/82/73/11/1128827311.db2.gz NVTDRSVWAJXWOC-ZDUSSCGKSA-N 2 1 288.426 3.664 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C1CC1)C1CCC(C)CC1 ZINC000342858225 1119210950 /nfs/dbraw/zinc/21/09/50/1119210950.db2.gz BYSLNPJPXNYEMA-UHFFFAOYSA-N 2 1 275.440 3.625 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C1CC1)C1CCC(C)CC1 ZINC000342858225 1119210952 /nfs/dbraw/zinc/21/09/52/1119210952.db2.gz BYSLNPJPXNYEMA-UHFFFAOYSA-N 2 1 275.440 3.625 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000342859965 1119212259 /nfs/dbraw/zinc/21/22/59/1119212259.db2.gz MMQZZAVCZNUVGZ-LJQANCHMSA-N 2 1 297.446 3.536 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000342859965 1119212262 /nfs/dbraw/zinc/21/22/62/1119212262.db2.gz MMQZZAVCZNUVGZ-LJQANCHMSA-N 2 1 297.446 3.536 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000342859964 1119212370 /nfs/dbraw/zinc/21/23/70/1119212370.db2.gz MMQZZAVCZNUVGZ-IBGZPJMESA-N 2 1 297.446 3.536 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000342859964 1119212372 /nfs/dbraw/zinc/21/23/72/1119212372.db2.gz MMQZZAVCZNUVGZ-IBGZPJMESA-N 2 1 297.446 3.536 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000342860043 1119212597 /nfs/dbraw/zinc/21/25/97/1119212597.db2.gz NCUKSHNXIOGSIN-KRWDZBQOSA-N 2 1 275.440 3.626 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000342860043 1119212601 /nfs/dbraw/zinc/21/26/01/1119212601.db2.gz NCUKSHNXIOGSIN-KRWDZBQOSA-N 2 1 275.440 3.626 20 0 CHADMP Cc1nccn1CCC[N@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000342864162 1119216411 /nfs/dbraw/zinc/21/64/11/1119216411.db2.gz LSGMARSBEVTXLN-GOSISDBHSA-N 2 1 297.446 3.707 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000342864162 1119216417 /nfs/dbraw/zinc/21/64/17/1119216417.db2.gz LSGMARSBEVTXLN-GOSISDBHSA-N 2 1 297.446 3.707 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000342864162 1119216420 /nfs/dbraw/zinc/21/64/20/1119216420.db2.gz LSGMARSBEVTXLN-GOSISDBHSA-N 2 1 297.446 3.707 20 0 CHADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](CC2CCC2)CC3)cc1 ZINC000342867354 1119219071 /nfs/dbraw/zinc/21/90/71/1119219071.db2.gz BPIIVJFUIVBSPH-UHFFFAOYSA-N 2 1 298.474 3.775 20 0 CHADMP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)C1CC1 ZINC000153730333 1119283613 /nfs/dbraw/zinc/28/36/13/1119283613.db2.gz BUWRZCUHRPDWEF-MRXNPFEDSA-N 2 1 287.382 3.598 20 0 CHADMP C[N@H+](Cc1csc2ccccc12)CC1CC[NH+](C)CC1 ZINC000154708015 1119318441 /nfs/dbraw/zinc/31/84/41/1119318441.db2.gz PSUZWXBILMBOBD-UHFFFAOYSA-N 2 1 288.460 3.675 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C/C=C\Cl)CC1 ZINC000255572226 1119385265 /nfs/dbraw/zinc/38/52/65/1119385265.db2.gz IMSCQCVCFASHPX-NOKKCYSASA-N 2 1 284.875 3.715 20 0 CHADMP CCC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc(F)cc2Cl)C1 ZINC000151106802 1119396050 /nfs/dbraw/zinc/39/60/50/1119396050.db2.gz OCXCNERJHGQTMM-QWHCGFSZSA-N 2 1 298.833 3.862 20 0 CHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2Cl)C1 ZINC000151106802 1119396052 /nfs/dbraw/zinc/39/60/52/1119396052.db2.gz OCXCNERJHGQTMM-QWHCGFSZSA-N 2 1 298.833 3.862 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2Cl)C1 ZINC000151106802 1119396054 /nfs/dbraw/zinc/39/60/54/1119396054.db2.gz OCXCNERJHGQTMM-QWHCGFSZSA-N 2 1 298.833 3.862 20 0 CHADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCC(F)(F)CC1 ZINC000647305373 1119400118 /nfs/dbraw/zinc/40/01/18/1119400118.db2.gz ILSFVXBGQBBWNC-HNNXBMFYSA-N 2 1 288.426 3.664 20 0 CHADMP Cc1ccc([C@H](C)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000628182039 1119492924 /nfs/dbraw/zinc/49/29/24/1119492924.db2.gz AMJQGOUHZLBPTA-QZTJIDSGSA-N 2 1 286.463 3.516 20 0 CHADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(C)(C)C(F)F ZINC000657839444 1119499800 /nfs/dbraw/zinc/49/98/00/1119499800.db2.gz VTNIRZDDXNLQBV-HZSPNIEDSA-N 2 1 290.442 3.624 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCCC23CC3)C1 ZINC000657838919 1119503224 /nfs/dbraw/zinc/50/32/24/1119503224.db2.gz HOZWTGMWAPOQJK-BBWFWOEESA-N 2 1 278.484 3.667 20 0 CHADMP Cc1oc2ccccc2c1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000343760726 1119509632 /nfs/dbraw/zinc/50/96/32/1119509632.db2.gz FDYYTPVCLPYAKT-UHFFFAOYSA-N 2 1 298.430 3.848 20 0 CHADMP c1cc(C[NH+]2CCC23CCC3)cc(C[N@H+]2CCC23CCC3)c1 ZINC000081545114 1119516570 /nfs/dbraw/zinc/51/65/70/1119516570.db2.gz WAVMREFHXJZNGU-UHFFFAOYSA-N 2 1 296.458 3.943 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000136298766 1119523015 /nfs/dbraw/zinc/52/30/15/1119523015.db2.gz WOBFWEVIQPGZHX-LBPRGKRZSA-N 2 1 293.361 3.553 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000136298766 1119523019 /nfs/dbraw/zinc/52/30/19/1119523019.db2.gz WOBFWEVIQPGZHX-LBPRGKRZSA-N 2 1 293.361 3.553 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)C(C)(C)C(F)F)c1 ZINC000657872972 1119587748 /nfs/dbraw/zinc/58/77/48/1119587748.db2.gz VCHWKJCFQJEXCY-ZDUSSCGKSA-N 2 1 298.421 3.908 20 0 CHADMP CCc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)s1 ZINC000225121895 1119597474 /nfs/dbraw/zinc/59/74/74/1119597474.db2.gz GVLAUAWCHDDBDY-HZPDHXFCSA-N 2 1 272.417 3.545 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(CC)CC ZINC000685462786 1119610711 /nfs/dbraw/zinc/61/07/11/1119610711.db2.gz BXWTYXJECMSDDU-UHFFFAOYSA-N 2 1 265.445 3.594 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(CC)CC ZINC000685462786 1119610712 /nfs/dbraw/zinc/61/07/12/1119610712.db2.gz BXWTYXJECMSDDU-UHFFFAOYSA-N 2 1 265.445 3.594 20 0 CHADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000271823932 1119612542 /nfs/dbraw/zinc/61/25/42/1119612542.db2.gz CUJSGXZOSVLVOF-NSHDSACASA-N 2 1 299.245 3.906 20 0 CHADMP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)C(F)(F)c1ccccc1 ZINC000926606413 1119634902 /nfs/dbraw/zinc/63/49/02/1119634902.db2.gz KCDMPNOXEBBGAC-IUDNXUCKSA-N 2 1 296.405 3.629 20 0 CHADMP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C(F)(F)c1ccccc1 ZINC000926606414 1119635367 /nfs/dbraw/zinc/63/53/67/1119635367.db2.gz KCDMPNOXEBBGAC-JEYLPNPQSA-N 2 1 296.405 3.629 20 0 CHADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(C(F)F)nc1 ZINC000658044137 1119670902 /nfs/dbraw/zinc/67/09/02/1119670902.db2.gz WHGGDGGKZSKURG-ZDUSSCGKSA-N 2 1 299.409 3.648 20 0 CHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(C(F)F)nc1 ZINC000658044137 1119670904 /nfs/dbraw/zinc/67/09/04/1119670904.db2.gz WHGGDGGKZSKURG-ZDUSSCGKSA-N 2 1 299.409 3.648 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)cs1 ZINC000381475056 1119698279 /nfs/dbraw/zinc/69/82/79/1119698279.db2.gz MELZNGZYSXZQBB-CQSZACIVSA-N 2 1 266.454 3.583 20 0 CHADMP C[C@H]([NH2+][C@@]1(C)CC1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658306691 1119717279 /nfs/dbraw/zinc/71/72/79/1119717279.db2.gz YVWAAVMQQUIYSS-WDYCEAGBSA-N 2 1 286.463 3.675 20 0 CHADMP CC[C@H](NCCC[N@@H+](C)C(C)C)c1ccsc1 ZINC000294477273 1119734258 /nfs/dbraw/zinc/73/42/58/1119734258.db2.gz WPXMTIFRKSCRJV-AWEZNQCLSA-N 2 1 254.443 3.519 20 0 CHADMP CC[C@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccsc1 ZINC000294477273 1119734259 /nfs/dbraw/zinc/73/42/59/1119734259.db2.gz WPXMTIFRKSCRJV-AWEZNQCLSA-N 2 1 254.443 3.519 20 0 CHADMP CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccsc1 ZINC000294477273 1119734262 /nfs/dbraw/zinc/73/42/62/1119734262.db2.gz WPXMTIFRKSCRJV-AWEZNQCLSA-N 2 1 254.443 3.519 20 0 CHADMP CC[C@H]1CO[C@@](C)(CCC(C)C)[N@H+]1CC1CC[NH+](C)CC1 ZINC001207399103 1119735252 /nfs/dbraw/zinc/73/52/52/1119735252.db2.gz ZUGXLWZCOSBPEP-ROUUACIJSA-N 2 1 296.499 3.591 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(C)CCC2)C[C@@H]1c1ccccc1 ZINC000340304760 1119750637 /nfs/dbraw/zinc/75/06/37/1119750637.db2.gz WQEQRMDFZOTDLV-IAGOWNOFSA-N 2 1 272.436 3.602 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CC2(C)CCC2)C[C@@H]1c1ccccc1 ZINC000340304760 1119750641 /nfs/dbraw/zinc/75/06/41/1119750641.db2.gz WQEQRMDFZOTDLV-IAGOWNOFSA-N 2 1 272.436 3.602 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)cc(C)cc2C)C[C@H]1C ZINC000531139902 1119793303 /nfs/dbraw/zinc/79/33/03/1119793303.db2.gz BQXAETJUODIXPL-QZTJIDSGSA-N 2 1 288.479 3.916 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)cc(C)cc2C)C[C@H]1C ZINC000531139902 1119793306 /nfs/dbraw/zinc/79/33/06/1119793306.db2.gz BQXAETJUODIXPL-QZTJIDSGSA-N 2 1 288.479 3.916 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@H]([N@@H+](C2CC2)C2CC[NH2+]CC2)C1 ZINC000647482634 1119793562 /nfs/dbraw/zinc/79/35/62/1119793562.db2.gz VFYVAOYRHRJQIG-PMACEKPBSA-N 2 1 298.474 3.713 20 0 CHADMP C[C@H](c1ccccc1)[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000688048870 1128870301 /nfs/dbraw/zinc/87/03/01/1128870301.db2.gz NDZQMKDWZXRADJ-CYBMUJFWSA-N 2 1 286.444 3.587 20 0 CHADMP C[C@H](CC1CCC1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309741484 1119834785 /nfs/dbraw/zinc/83/47/85/1119834785.db2.gz RZCSUUAGPLEZHR-VQIMIIECSA-N 2 1 286.463 3.677 20 0 CHADMP CC(C)(C)CC[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309921477 1119841636 /nfs/dbraw/zinc/84/16/36/1119841636.db2.gz WCDRSGSKFBDRIG-SFHVURJKSA-N 2 1 288.479 3.924 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@@H]2C[C@H]2C)c1 ZINC000414061722 1119876221 /nfs/dbraw/zinc/87/62/21/1119876221.db2.gz AVNLBMYIKWTCSF-RVKKMQEKSA-N 2 1 274.452 3.661 20 0 CHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)[C@H]2C[C@H]2C)CC1 ZINC000414080131 1119886081 /nfs/dbraw/zinc/88/60/81/1119886081.db2.gz CSOFDHAHDYPJDE-OLMMMNRUSA-N 2 1 286.463 3.846 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000414172590 1119926303 /nfs/dbraw/zinc/92/63/03/1119926303.db2.gz FMPQAIXANGOPBN-UONOGXRCSA-N 2 1 280.843 3.723 20 0 CHADMP Cc1cc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc(C)c1F ZINC000414177067 1119927739 /nfs/dbraw/zinc/92/77/39/1119927739.db2.gz JLIQHGGMTGZLEF-HOTGVXAUSA-N 2 1 292.442 3.825 20 0 CHADMP Cc1cc(C)cc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000414177548 1119927902 /nfs/dbraw/zinc/92/79/02/1119927902.db2.gz JTIPYJNQMDMYKA-DLBZAZTESA-N 2 1 274.452 3.686 20 0 CHADMP CSc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000414196661 1119934087 /nfs/dbraw/zinc/93/40/87/1119934087.db2.gz VSTYPZSQFGXFPV-CABCVRRESA-N 2 1 292.492 3.791 20 0 CHADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414202418 1119936872 /nfs/dbraw/zinc/93/68/72/1119936872.db2.gz YPKPBSWXAFIIJA-RYRKJORJSA-N 2 1 286.463 3.865 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c(Cl)c1 ZINC001140800813 1119951034 /nfs/dbraw/zinc/95/10/34/1119951034.db2.gz VRNIJCFTJKNWDF-UHFFFAOYSA-N 2 1 292.854 3.566 20 0 CHADMP CCCC[NH+](CCCC)Cc1c[nH]c2cc[nH+]cc12 ZINC001140806447 1119956818 /nfs/dbraw/zinc/95/68/18/1119956818.db2.gz HWIRNOJEGUUQGN-UHFFFAOYSA-N 2 1 259.397 3.965 20 0 CHADMP F[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000414281874 1119965706 /nfs/dbraw/zinc/96/57/06/1119965706.db2.gz GUGMQPKYQINPHF-IAGOWNOFSA-N 2 1 282.447 3.654 20 0 CHADMP Cc1oc(C(C)(C)C)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000892607590 1119975894 /nfs/dbraw/zinc/97/58/94/1119975894.db2.gz KSEOAYOJTOMAHJ-JKSUJKDBSA-N 2 1 290.451 3.602 20 0 CHADMP Cc1oc(C(C)(C)C)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000892607590 1119975897 /nfs/dbraw/zinc/97/58/97/1119975897.db2.gz KSEOAYOJTOMAHJ-JKSUJKDBSA-N 2 1 290.451 3.602 20 0 CHADMP C(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)CC1CCCCC1 ZINC000372209399 1119978171 /nfs/dbraw/zinc/97/81/71/1119978171.db2.gz BQUFEXVNWJQDSF-IRXDYDNUSA-N 2 1 264.457 3.563 20 0 CHADMP FC1CCC(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000647553131 1120010066 /nfs/dbraw/zinc/01/00/66/1120010066.db2.gz BPWFFMGKQLOVKJ-DQVOVIAYSA-N 2 1 290.426 3.598 20 0 CHADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000187399408 1120020282 /nfs/dbraw/zinc/02/02/82/1120020282.db2.gz FTHBDFYHEFDENN-CABCVRRESA-N 2 1 294.870 3.717 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000187399408 1120020284 /nfs/dbraw/zinc/02/02/84/1120020284.db2.gz FTHBDFYHEFDENN-CABCVRRESA-N 2 1 294.870 3.717 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000187399408 1120020288 /nfs/dbraw/zinc/02/02/88/1120020288.db2.gz FTHBDFYHEFDENN-CABCVRRESA-N 2 1 294.870 3.717 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000187399408 1120020291 /nfs/dbraw/zinc/02/02/91/1120020291.db2.gz FTHBDFYHEFDENN-CABCVRRESA-N 2 1 294.870 3.717 20 0 CHADMP c1ccc2c(c1)cccc2C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106868654 1120055683 /nfs/dbraw/zinc/05/56/83/1120055683.db2.gz YEBHGXOGWBBTCD-QZTJIDSGSA-N 2 1 280.415 3.556 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624120221 1120056528 /nfs/dbraw/zinc/05/65/28/1120056528.db2.gz UOKPMHVXUIUPNQ-WBVHZDCISA-N 2 1 274.452 3.632 20 0 CHADMP C[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000623657333 1120065345 /nfs/dbraw/zinc/06/53/45/1120065345.db2.gz NXGXUACVWBIDCO-GJZGRUSLSA-N 2 1 294.870 3.765 20 0 CHADMP CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120915 1120068174 /nfs/dbraw/zinc/06/81/74/1120068174.db2.gz KAAZRAFTEMAVBA-JYJNAYRXSA-N 2 1 254.462 3.523 20 0 CHADMP C1CCC(C([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C2CCCC2)C1 ZINC000166638666 1120071475 /nfs/dbraw/zinc/07/14/75/1120071475.db2.gz GTGWXQJGSLSMHJ-QZTJIDSGSA-N 2 1 290.495 3.952 20 0 CHADMP C[NH2+]C[C@@H]1CCC[N@H+](C2CCC(c3ccccc3)CC2)C1 ZINC000040591895 1120076246 /nfs/dbraw/zinc/07/62/46/1120076246.db2.gz GWEICIMVTZQAMF-IVMQYODDSA-N 2 1 286.463 3.644 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000179039521 1120089580 /nfs/dbraw/zinc/08/95/80/1120089580.db2.gz PCXSZZQTWVVYAK-SFHVURJKSA-N 2 1 283.419 3.591 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H]1CCc2ccccc21 ZINC000179039521 1120089586 /nfs/dbraw/zinc/08/95/86/1120089586.db2.gz PCXSZZQTWVVYAK-SFHVURJKSA-N 2 1 283.419 3.591 20 0 CHADMP Cc1ccc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c(Cl)c1 ZINC000715550627 1120110640 /nfs/dbraw/zinc/11/06/40/1120110640.db2.gz BWPUDCMXWUTUDV-GJZGRUSLSA-N 2 1 280.843 3.611 20 0 CHADMP CC(C)[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000472736179 1120156829 /nfs/dbraw/zinc/15/68/29/1120156829.db2.gz NCNGKKRHBRXQHY-IAGOWNOFSA-N 2 1 266.473 3.619 20 0 CHADMP CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000314265882 1120180646 /nfs/dbraw/zinc/18/06/46/1120180646.db2.gz IFRJENHYCSSXSP-ZYSHUDEJSA-N 2 1 286.463 3.802 20 0 CHADMP CCCC[C@H](CC)C[N@@H+](CCC)C[C@@H]1CC[NH2+]C1 ZINC001236831416 1128902261 /nfs/dbraw/zinc/90/22/61/1128902261.db2.gz QSIOSXPKYQVPFH-JKSUJKDBSA-N 2 1 254.462 3.524 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CCC(C)C)C1CC1 ZINC000338775574 1120295226 /nfs/dbraw/zinc/29/52/26/1120295226.db2.gz FXXGSJQLSKJXNR-QGZVFWFLSA-N 2 1 277.456 3.776 20 0 CHADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000672603017 1120332508 /nfs/dbraw/zinc/33/25/08/1120332508.db2.gz JOGWLJYWTVXXNN-GUDVDZBRSA-N 2 1 286.463 3.677 20 0 CHADMP CC(C)=CCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000660074935 1120363736 /nfs/dbraw/zinc/36/37/36/1120363736.db2.gz VAKGTBYDVMAEIJ-UHFFFAOYSA-N 2 1 286.463 3.939 20 0 CHADMP CC(C)=CCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000660074935 1120363739 /nfs/dbraw/zinc/36/37/39/1120363739.db2.gz VAKGTBYDVMAEIJ-UHFFFAOYSA-N 2 1 286.463 3.939 20 0 CHADMP C[C@H]1C[C@@H](NC2(CF)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000584590054 1120395660 /nfs/dbraw/zinc/39/56/60/1120395660.db2.gz IRCXDEFIKFPQQC-RDJZCZTQSA-N 2 1 290.426 3.521 20 0 CHADMP Cc1ccc([C@H](C)C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000628296181 1120396617 /nfs/dbraw/zinc/39/66/17/1120396617.db2.gz YVQGDIZMHVXSLD-MJGOQNOKSA-N 2 1 286.463 3.516 20 0 CHADMP Cc1ccc([C@H](C)C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000628296181 1120396622 /nfs/dbraw/zinc/39/66/22/1120396622.db2.gz YVQGDIZMHVXSLD-MJGOQNOKSA-N 2 1 286.463 3.516 20 0 CHADMP Cc1ccc([C@H](C)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000628296181 1120396626 /nfs/dbraw/zinc/39/66/26/1120396626.db2.gz YVQGDIZMHVXSLD-MJGOQNOKSA-N 2 1 286.463 3.516 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000543064373 1120397604 /nfs/dbraw/zinc/39/76/04/1120397604.db2.gz VNBXRDNULYEPAC-IRXDYDNUSA-N 2 1 292.854 3.865 20 0 CHADMP C[C@H](Cc1ccsc1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000543081647 1120403589 /nfs/dbraw/zinc/40/35/89/1120403589.db2.gz YILBJGKRFYCTTJ-WBVHZDCISA-N 2 1 292.492 3.629 20 0 CHADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417315849 1120423421 /nfs/dbraw/zinc/42/34/21/1120423421.db2.gz STCWZHUIWQHQJV-LJISPDSOSA-N 2 1 280.481 3.560 20 0 CHADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417315849 1120423424 /nfs/dbraw/zinc/42/34/24/1120423424.db2.gz STCWZHUIWQHQJV-LJISPDSOSA-N 2 1 280.481 3.560 20 0 CHADMP Cc1cc(C)cc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000119638530 1120476261 /nfs/dbraw/zinc/47/62/61/1120476261.db2.gz QZWYDMSUKBIUOA-HNNXBMFYSA-N 2 1 272.436 3.581 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC1CC=CC1 ZINC000660269598 1120476467 /nfs/dbraw/zinc/47/64/67/1120476467.db2.gz OCSKDIDECXTDOM-YRWFTTLQSA-N 2 1 298.474 3.699 20 0 CHADMP C[C@H](C[NH2+][C@H]1CCSc2c(Cl)cccc21)C[NH+](C)C ZINC000425946976 1120524688 /nfs/dbraw/zinc/52/46/88/1120524688.db2.gz YUJWNIWDNCBQPR-RISCZKNCSA-N 2 1 298.883 3.664 20 0 CHADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000543472402 1120529481 /nfs/dbraw/zinc/52/94/81/1120529481.db2.gz FVVAMCGKFCRCFP-XYJFISCASA-N 2 1 274.452 3.643 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCCc2sc(Cl)cc21 ZINC000253215661 1128922784 /nfs/dbraw/zinc/92/27/84/1128922784.db2.gz CPFQCZDKJXIKQP-WXHSDQCUSA-N 2 1 298.883 3.709 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCCc2sc(Cl)cc21 ZINC000253215661 1128922788 /nfs/dbraw/zinc/92/27/88/1128922788.db2.gz CPFQCZDKJXIKQP-WXHSDQCUSA-N 2 1 298.883 3.709 20 0 CHADMP Cc1cc2cc[nH+]c(NCCC[N@H+]3CCCC[C@@H]3C)c2[nH]1 ZINC001167751050 1120539688 /nfs/dbraw/zinc/53/96/88/1120539688.db2.gz GYLCKDOAEUZORG-AWEZNQCLSA-N 2 1 286.423 3.548 20 0 CHADMP Cc1cc2cc[nH+]c(NCCC[N@@H+]3CCCC[C@@H]3C)c2[nH]1 ZINC001167751050 1120539689 /nfs/dbraw/zinc/53/96/89/1120539689.db2.gz GYLCKDOAEUZORG-AWEZNQCLSA-N 2 1 286.423 3.548 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCNc1ccc(C2CC2)cn1 ZINC001167752313 1120543629 /nfs/dbraw/zinc/54/36/29/1120543629.db2.gz DXKBLFCLUXNQAK-AWEZNQCLSA-N 2 1 273.424 3.635 20 0 CHADMP Cc1ccccc1[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000019913126 1120549474 /nfs/dbraw/zinc/54/94/74/1120549474.db2.gz DETXMEJAXMRPJH-IRXDYDNUSA-N 2 1 274.452 3.910 20 0 CHADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc2ccccc21 ZINC000499912799 1120550104 /nfs/dbraw/zinc/55/01/04/1120550104.db2.gz LFZMRIUJJQAUFL-UHFFFAOYSA-N 2 1 282.431 3.758 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000019943170 1120550903 /nfs/dbraw/zinc/55/09/03/1120550903.db2.gz KJBCNHUDQNWZII-MRXNPFEDSA-N 2 1 292.467 3.856 20 0 CHADMP C[C@H](CC1CC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398202372 1120589888 /nfs/dbraw/zinc/58/98/88/1120589888.db2.gz NFKAOFXGSFPYKG-GPMSIDNRSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@H](CC1CC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398202372 1120589890 /nfs/dbraw/zinc/58/98/90/1120589890.db2.gz NFKAOFXGSFPYKG-GPMSIDNRSA-N 2 1 286.463 3.675 20 0 CHADMP CC(C)c1cccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000660415715 1120591337 /nfs/dbraw/zinc/59/13/37/1120591337.db2.gz IJYFADPUCDKUNH-SFHVURJKSA-N 2 1 274.452 3.726 20 0 CHADMP CC[C@H](C[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+])CC(F)(F)F ZINC000925697427 1120622578 /nfs/dbraw/zinc/62/25/78/1120622578.db2.gz NLOWJSCFNRWVCD-SGMGOOAPSA-N 2 1 288.357 3.643 20 0 CHADMP CCC[C@H](C)CCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000625213103 1120645722 /nfs/dbraw/zinc/64/57/22/1120645722.db2.gz KPCLCMTWELOAHM-JYJNAYRXSA-N 2 1 254.462 3.617 20 0 CHADMP CCC[C@H](C)CCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000625213103 1120645726 /nfs/dbraw/zinc/64/57/26/1120645726.db2.gz KPCLCMTWELOAHM-JYJNAYRXSA-N 2 1 254.462 3.617 20 0 CHADMP CCC[C@H](C)CCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000625213103 1120645729 /nfs/dbraw/zinc/64/57/29/1120645729.db2.gz KPCLCMTWELOAHM-JYJNAYRXSA-N 2 1 254.462 3.617 20 0 CHADMP CCC[C@H](C)CCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000625213103 1120645733 /nfs/dbraw/zinc/64/57/33/1120645733.db2.gz KPCLCMTWELOAHM-JYJNAYRXSA-N 2 1 254.462 3.617 20 0 CHADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H]3CC[C@@H](c4ccccc4)C3)C2)C1 ZINC000660616276 1120668472 /nfs/dbraw/zinc/66/84/72/1120668472.db2.gz IWBRPRSKMDSFES-RLLQIKCJSA-N 2 1 298.474 3.598 20 0 CHADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H]3CC[C@@H](c4ccccc4)C3)C2)C1 ZINC000660616276 1120668474 /nfs/dbraw/zinc/66/84/74/1120668474.db2.gz IWBRPRSKMDSFES-RLLQIKCJSA-N 2 1 298.474 3.598 20 0 CHADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H]3CC[C@@H](c4ccccc4)C3)C2)C1 ZINC000660616276 1120668477 /nfs/dbraw/zinc/66/84/77/1120668477.db2.gz IWBRPRSKMDSFES-RLLQIKCJSA-N 2 1 298.474 3.598 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC34CCC4)CC2)cc1 ZINC000394829913 1120712368 /nfs/dbraw/zinc/71/23/68/1120712368.db2.gz TVDZDSXQMOFORB-LJQANCHMSA-N 2 1 298.474 3.963 20 0 CHADMP c1ccc(C2CCC([NH2+]C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000123963183 1120745327 /nfs/dbraw/zinc/74/53/27/1120745327.db2.gz FWWICMTWMJFWPB-UHFFFAOYSA-N 2 1 298.474 3.929 20 0 CHADMP c1cc(C2CC2)ccc1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000228082294 1120766835 /nfs/dbraw/zinc/76/68/35/1120766835.db2.gz UVNRUYWIZBNHDD-IBGZPJMESA-N 2 1 284.447 3.530 20 0 CHADMP CC(C)C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000652154381 1120792357 /nfs/dbraw/zinc/79/23/57/1120792357.db2.gz DDHAOJHSKNJQGL-QGTPRVQTSA-N 2 1 292.442 3.985 20 0 CHADMP CC(C)C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000652154381 1120792358 /nfs/dbraw/zinc/79/23/58/1120792358.db2.gz DDHAOJHSKNJQGL-QGTPRVQTSA-N 2 1 292.442 3.985 20 0 CHADMP CCCSC[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000893487723 1120794601 /nfs/dbraw/zinc/79/46/01/1120794601.db2.gz LWGZRHBCSWEDQD-ARFHVFGLSA-N 2 1 298.540 3.761 20 0 CHADMP CC[NH+]1CCC([N@H+](C)Cc2cc3c(ccc(C)c3C)[nH]2)CC1 ZINC000473139252 1120801010 /nfs/dbraw/zinc/80/10/10/1120801010.db2.gz PKIOMKMIPQNJQB-UHFFFAOYSA-N 2 1 299.462 3.701 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)Cc2cc3c(ccc(C)c3C)[nH]2)CC1 ZINC000473139252 1120801014 /nfs/dbraw/zinc/80/10/14/1120801014.db2.gz PKIOMKMIPQNJQB-UHFFFAOYSA-N 2 1 299.462 3.701 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cc(F)ccc1F ZINC000164598861 1120836337 /nfs/dbraw/zinc/83/63/37/1120836337.db2.gz YPYRFLRCWQZQPM-GFCCVEGCSA-N 2 1 293.361 3.601 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2cccc(Cl)c2)[C@@H](C)C1 ZINC000246561848 1120874479 /nfs/dbraw/zinc/87/44/79/1120874479.db2.gz XETRPWJTBGWJLA-WMLDXEAASA-N 2 1 294.870 3.593 20 0 CHADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC000221689074 1120900304 /nfs/dbraw/zinc/90/03/04/1120900304.db2.gz UNMOVDWUATZIBP-AWEZNQCLSA-N 2 1 278.415 3.597 20 0 CHADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC000221766024 1120903980 /nfs/dbraw/zinc/90/39/80/1120903980.db2.gz COIPWULODJFLQJ-CQSZACIVSA-N 2 1 278.415 3.597 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000221818942 1120907876 /nfs/dbraw/zinc/90/78/76/1120907876.db2.gz HMAVMKMHARSIKG-KHYOSLBOSA-N 2 1 286.463 3.699 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000221818942 1120907881 /nfs/dbraw/zinc/90/78/81/1120907881.db2.gz HMAVMKMHARSIKG-KHYOSLBOSA-N 2 1 286.463 3.699 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000221919470 1120937670 /nfs/dbraw/zinc/93/76/70/1120937670.db2.gz SLOXSOYUUNCDKS-LBPRGKRZSA-N 2 1 286.822 3.860 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000221919470 1120937674 /nfs/dbraw/zinc/93/76/74/1120937674.db2.gz SLOXSOYUUNCDKS-LBPRGKRZSA-N 2 1 286.822 3.860 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C2CC2)cc1 ZINC000221933057 1120939322 /nfs/dbraw/zinc/93/93/22/1120939322.db2.gz RLTSCSYVHFHCFY-QGTPRVQTSA-N 2 1 272.436 3.518 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C2CC2)cc1 ZINC000221933057 1120939325 /nfs/dbraw/zinc/93/93/25/1120939325.db2.gz RLTSCSYVHFHCFY-QGTPRVQTSA-N 2 1 272.436 3.518 20 0 CHADMP CC1(C)C[C@]1([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000663340717 1120940047 /nfs/dbraw/zinc/94/00/47/1120940047.db2.gz DATSSAJUVGKWFA-AOIWGVFYSA-N 2 1 284.447 3.528 20 0 CHADMP c1cc2cc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)ccc2o1 ZINC000663344263 1120940790 /nfs/dbraw/zinc/94/07/90/1120940790.db2.gz QKQHUKMTWQDKQF-QGZVFWFLSA-N 2 1 298.430 3.644 20 0 CHADMP Cc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C2CCC2)cc1 ZINC000186993928 1120944108 /nfs/dbraw/zinc/94/41/08/1120944108.db2.gz RPBNJJZOIRTMNW-JXFKEZNVSA-N 2 1 298.474 3.910 20 0 CHADMP c1ccc([C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C2CC2)cc1 ZINC000663467683 1120983540 /nfs/dbraw/zinc/98/35/40/1120983540.db2.gz HCMWFCXJRLIGPC-XLIONFOSSA-N 2 1 298.474 3.849 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)CCc1ccc(F)cc1 ZINC001167824285 1120996362 /nfs/dbraw/zinc/99/63/62/1120996362.db2.gz DAXIDBQACGKOPP-INIZCTEOSA-N 2 1 294.458 3.811 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)CCc1ccc(F)cc1 ZINC001167824289 1120996409 /nfs/dbraw/zinc/99/64/09/1120996409.db2.gz DAXIDBQACGKOPP-MRXNPFEDSA-N 2 1 294.458 3.811 20 0 CHADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1csc(Cl)c1Cl ZINC000663503700 1120999523 /nfs/dbraw/zinc/99/95/23/1120999523.db2.gz SZNVSFILHPFWQJ-SECBINFHSA-N 2 1 281.252 3.518 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)CCc1cccc(C)c1 ZINC001167825876 1120999984 /nfs/dbraw/zinc/99/99/84/1120999984.db2.gz LITXVANOQGITBN-GOSISDBHSA-N 2 1 290.495 3.980 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCCC[C@H]1C ZINC001167826613 1121001966 /nfs/dbraw/zinc/00/19/66/1121001966.db2.gz OZWPYYMQJABRJI-HZPDHXFCSA-N 2 1 254.462 3.761 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1Cc2ccc(F)cc2C1 ZINC001167828144 1121006648 /nfs/dbraw/zinc/00/66/48/1121006648.db2.gz ZYWIVUBBOJMPEI-AWEZNQCLSA-N 2 1 278.415 3.652 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2ccc(F)cc2C1 ZINC001167837494 1121041266 /nfs/dbraw/zinc/04/12/66/1121041266.db2.gz LMTWKGSEVZMNDK-OAHLLOKOSA-N 2 1 292.442 3.694 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1F ZINC001167840030 1121046566 /nfs/dbraw/zinc/04/65/66/1121046566.db2.gz DIHQGSSQOWQMDP-CQSZACIVSA-N 2 1 298.421 3.907 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1Cc2cccc(OC)c2C1 ZINC001167841091 1121054058 /nfs/dbraw/zinc/05/40/58/1121054058.db2.gz KDOSEDTZFYDAJU-OAHLLOKOSA-N 2 1 290.451 3.521 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](CC2CCC2)c2ccccc2)C1 ZINC000344035137 1121061994 /nfs/dbraw/zinc/06/19/94/1121061994.db2.gz PYQHZNZKUQRKSI-MJGOQNOKSA-N 2 1 286.463 3.849 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000344158982 1121107498 /nfs/dbraw/zinc/10/74/98/1121107498.db2.gz CMBHDPMQWUJILR-GOSISDBHSA-N 2 1 297.446 3.688 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000344158982 1121107501 /nfs/dbraw/zinc/10/75/01/1121107501.db2.gz CMBHDPMQWUJILR-GOSISDBHSA-N 2 1 297.446 3.688 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000093639702 1128966127 /nfs/dbraw/zinc/96/61/27/1128966127.db2.gz JUCIMRYLWGGQRV-MLGOLLRUSA-N 2 1 298.833 3.641 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000093639702 1128966131 /nfs/dbraw/zinc/96/61/31/1128966131.db2.gz JUCIMRYLWGGQRV-MLGOLLRUSA-N 2 1 298.833 3.641 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000093639702 1128966135 /nfs/dbraw/zinc/96/61/35/1128966135.db2.gz JUCIMRYLWGGQRV-MLGOLLRUSA-N 2 1 298.833 3.641 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000093639702 1128966138 /nfs/dbraw/zinc/96/61/38/1128966138.db2.gz JUCIMRYLWGGQRV-MLGOLLRUSA-N 2 1 298.833 3.641 20 0 CHADMP CC(C)(C)[NH2+]Cc1ccc(Nc2c[nH+]c3ccccn23)cc1 ZINC001204677566 1121215700 /nfs/dbraw/zinc/21/57/00/1121215700.db2.gz HGZVZDANWUEZPD-UHFFFAOYSA-N 2 1 294.402 3.966 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C/C(C)=C/c2ccccc2)C1 ZINC000093693405 1128970786 /nfs/dbraw/zinc/97/07/86/1128970786.db2.gz QMJLMSVTUYXMFA-UMEYKSNOSA-N 2 1 286.463 3.754 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C/C(C)=C/c2ccccc2)C1 ZINC000093693405 1128970790 /nfs/dbraw/zinc/97/07/90/1128970790.db2.gz QMJLMSVTUYXMFA-UMEYKSNOSA-N 2 1 286.463 3.754 20 0 CHADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+]([C@@H]4C=CCCC4)C3)C2)cc1 ZINC000512245951 1121224188 /nfs/dbraw/zinc/22/41/88/1121224188.db2.gz UDSZPGWSHSKQRB-UXHICEINSA-N 2 1 296.458 3.693 20 0 CHADMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+]([C@@H]4C=CCCC4)C3)C2)cc1 ZINC000512245951 1121224194 /nfs/dbraw/zinc/22/41/94/1121224194.db2.gz UDSZPGWSHSKQRB-UXHICEINSA-N 2 1 296.458 3.693 20 0 CHADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+]([C@@H]4C=CCCC4)C3)C2)cc1 ZINC000512245951 1121224197 /nfs/dbraw/zinc/22/41/97/1121224197.db2.gz UDSZPGWSHSKQRB-UXHICEINSA-N 2 1 296.458 3.693 20 0 CHADMP Clc1ccc2c(c1)nccc2N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044725859 1121228523 /nfs/dbraw/zinc/22/85/23/1121228523.db2.gz QJNRYFJWLJAEMU-GFCCVEGCSA-N 2 1 287.794 3.537 20 0 CHADMP Clc1ccc2c(N[C@@H]3CC[N@@H+](C4CC4)C3)cc[nH+]c2c1 ZINC000044725859 1121228528 /nfs/dbraw/zinc/22/85/28/1121228528.db2.gz QJNRYFJWLJAEMU-GFCCVEGCSA-N 2 1 287.794 3.537 20 0 CHADMP Clc1ccc2c(N[C@@H]3CC[N@H+](C4CC4)C3)cc[nH+]c2c1 ZINC000044725859 1121228533 /nfs/dbraw/zinc/22/85/33/1121228533.db2.gz QJNRYFJWLJAEMU-GFCCVEGCSA-N 2 1 287.794 3.537 20 0 CHADMP Cc1ccc2ccccc2c1C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001175445162 1121327589 /nfs/dbraw/zinc/32/75/89/1121327589.db2.gz WOJBPJUTLNELIW-XLIONFOSSA-N 2 1 294.442 3.674 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC001175445162 1121327599 /nfs/dbraw/zinc/32/75/99/1121327599.db2.gz WOJBPJUTLNELIW-XLIONFOSSA-N 2 1 294.442 3.674 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC001175445162 1121327608 /nfs/dbraw/zinc/32/76/08/1121327608.db2.gz WOJBPJUTLNELIW-XLIONFOSSA-N 2 1 294.442 3.674 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CCCc2ccc(C)cc2C)[C@@H](C)C1 ZINC000675733044 1121345764 /nfs/dbraw/zinc/34/57/64/1121345764.db2.gz XFORVNNBVIFLNS-HKUYNNGSSA-N 2 1 288.479 3.556 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660658603 1121359352 /nfs/dbraw/zinc/35/93/52/1121359352.db2.gz HUGWAQJHTTVYIF-ROUUACIJSA-N 2 1 290.426 3.695 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660658603 1121359360 /nfs/dbraw/zinc/35/93/60/1121359360.db2.gz HUGWAQJHTTVYIF-ROUUACIJSA-N 2 1 290.426 3.695 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660658603 1121359369 /nfs/dbraw/zinc/35/93/69/1121359369.db2.gz HUGWAQJHTTVYIF-ROUUACIJSA-N 2 1 290.426 3.695 20 0 CHADMP CCCC[C@@H](CCC)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675883402 1121382040 /nfs/dbraw/zinc/38/20/40/1121382040.db2.gz ZUFMVNLTXAJUGO-AEFFLSMTSA-N 2 1 296.499 3.578 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)s2)CC1 ZINC000432815802 1121383633 /nfs/dbraw/zinc/38/36/33/1121383633.db2.gz KHNNQZBBOJJUKD-CQSZACIVSA-N 2 1 294.508 3.962 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)s2)CC1 ZINC000432815802 1121383641 /nfs/dbraw/zinc/38/36/41/1121383641.db2.gz KHNNQZBBOJJUKD-CQSZACIVSA-N 2 1 294.508 3.962 20 0 CHADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC1(C)CCC1 ZINC000432833230 1121398704 /nfs/dbraw/zinc/39/87/04/1121398704.db2.gz VQIOBXOFYUGJKB-SFHVURJKSA-N 2 1 286.463 3.631 20 0 CHADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC1(C)CCC1 ZINC000432833230 1121398712 /nfs/dbraw/zinc/39/87/12/1121398712.db2.gz VQIOBXOFYUGJKB-SFHVURJKSA-N 2 1 286.463 3.631 20 0 CHADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(C)CCC1 ZINC000432833230 1121398719 /nfs/dbraw/zinc/39/87/19/1121398719.db2.gz VQIOBXOFYUGJKB-SFHVURJKSA-N 2 1 286.463 3.631 20 0 CHADMP C[N@@H+](CCCCOC(C)(C)C)CCCC[NH+]1CCCCC1 ZINC001175688322 1121432906 /nfs/dbraw/zinc/43/29/06/1121432906.db2.gz PURNVXBURSLKMJ-UHFFFAOYSA-N 2 1 298.515 3.780 20 0 CHADMP CCCCOCC[NH+]1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001175757983 1121454587 /nfs/dbraw/zinc/45/45/87/1121454587.db2.gz INMNNGALHRIWGA-UHFFFAOYSA-N 2 1 296.499 3.534 20 0 CHADMP Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000219380254 1121478712 /nfs/dbraw/zinc/47/87/12/1121478712.db2.gz SFQDQDBXCPIYFP-WBVHZDCISA-N 2 1 292.854 3.612 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000219380254 1121478718 /nfs/dbraw/zinc/47/87/18/1121478718.db2.gz SFQDQDBXCPIYFP-WBVHZDCISA-N 2 1 292.854 3.612 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000512615255 1121493910 /nfs/dbraw/zinc/49/39/10/1121493910.db2.gz YWUKVMIOUHKGTD-KCUHQSDYSA-N 2 1 298.474 3.675 20 0 CHADMP CCc1ccc([C@H]2CC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)cc1 ZINC000433084814 1121559733 /nfs/dbraw/zinc/55/97/33/1121559733.db2.gz UPLGJZZESWMHFW-OALUTQOASA-N 2 1 286.463 3.523 20 0 CHADMP CCc1ccc([C@H]2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC000433084814 1121559734 /nfs/dbraw/zinc/55/97/34/1121559734.db2.gz UPLGJZZESWMHFW-OALUTQOASA-N 2 1 286.463 3.523 20 0 CHADMP CCc1ccc([C@H]2CC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC000433084814 1121559737 /nfs/dbraw/zinc/55/97/37/1121559737.db2.gz UPLGJZZESWMHFW-OALUTQOASA-N 2 1 286.463 3.523 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCC2)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167917753 1121588939 /nfs/dbraw/zinc/58/89/39/1121588939.db2.gz CKZWXMRCPOFZRY-PECIQYQJSA-N 2 1 276.468 3.547 20 0 CHADMP C([NH2+]C1CCC2(CCCCC2)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000466743416 1121595901 /nfs/dbraw/zinc/59/59/01/1121595901.db2.gz LKRDGQYFMCSSTD-MRXNPFEDSA-N 2 1 290.495 3.953 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+]CC[C@@H](C)CCC=C(C)C)C1 ZINC000512844341 1121622605 /nfs/dbraw/zinc/62/26/05/1121622605.db2.gz HHHLLOMNYVCMRX-IRXDYDNUSA-N 2 1 266.473 3.690 20 0 CHADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000514096496 1121679084 /nfs/dbraw/zinc/67/90/84/1121679084.db2.gz WJQUAJJKVDGULC-MHORFTMASA-N 2 1 280.500 3.769 20 0 CHADMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ccoc2)C1 ZINC000727466074 1121720920 /nfs/dbraw/zinc/72/09/20/1121720920.db2.gz SRGYUWRTXBGSJY-INIZCTEOSA-N 2 1 298.430 3.801 20 0 CHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccoc2)C1 ZINC000727466074 1121720923 /nfs/dbraw/zinc/72/09/23/1121720923.db2.gz SRGYUWRTXBGSJY-INIZCTEOSA-N 2 1 298.430 3.801 20 0 CHADMP Cc1ccc(F)cc1C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC001177298866 1121721164 /nfs/dbraw/zinc/72/11/64/1121721164.db2.gz HAFJYCIMYJURLA-MRXNPFEDSA-N 2 1 292.442 3.878 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001177262564 1121723113 /nfs/dbraw/zinc/72/31/13/1121723113.db2.gz WJMUKXIKALSXRD-DZJNRPSUSA-N 2 1 278.484 3.689 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001177262564 1121723119 /nfs/dbraw/zinc/72/31/19/1121723119.db2.gz WJMUKXIKALSXRD-DZJNRPSUSA-N 2 1 278.484 3.689 20 0 CHADMP CC[N@H+](CC[NH2+]C1CC(C)(C)CC(C)(C)C1)C(C)C ZINC001177612326 1121742602 /nfs/dbraw/zinc/74/26/02/1121742602.db2.gz WCYRKFYAOAQKTA-UHFFFAOYSA-N 2 1 268.489 3.911 20 0 CHADMP CC[N@@H+](CC[NH2+]C1CC(C)(C)CC(C)(C)C1)C(C)C ZINC001177612326 1121742607 /nfs/dbraw/zinc/74/26/07/1121742607.db2.gz WCYRKFYAOAQKTA-UHFFFAOYSA-N 2 1 268.489 3.911 20 0 CHADMP Cc1cc(C)c(/C=C/C[NH2+]C[C@H]2CCC[N@H+](C)C2)c(C)c1 ZINC001177795140 1121750880 /nfs/dbraw/zinc/75/08/80/1121750880.db2.gz OJEMHLGXXCDQPU-KRZKXXONSA-N 2 1 286.463 3.556 20 0 CHADMP CCCC[C@H](CCC)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166811988 1121752228 /nfs/dbraw/zinc/75/22/28/1121752228.db2.gz KZRFYIZOOFISMI-GVDBMIGSSA-N 2 1 266.473 3.809 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC001178249129 1121772399 /nfs/dbraw/zinc/77/23/99/1121772399.db2.gz JFAWHXUOJBLUKM-INIZCTEOSA-N 2 1 294.870 3.798 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206324817 1121777009 /nfs/dbraw/zinc/77/70/09/1121777009.db2.gz DMWRRKOGDRKALN-QGZVFWFLSA-N 2 1 294.870 3.908 20 0 CHADMP CC[C@@H](c1ccccc1)[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261886441 1129008618 /nfs/dbraw/zinc/00/86/18/1129008618.db2.gz ZCQKKPXKQGUOBG-OTWHNJEPSA-N 2 1 280.415 3.564 20 0 CHADMP CC[C@@H](c1ccccc1)[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261886441 1129008621 /nfs/dbraw/zinc/00/86/21/1129008621.db2.gz ZCQKKPXKQGUOBG-OTWHNJEPSA-N 2 1 280.415 3.564 20 0 CHADMP c1cc(C[NH2+]CCC[NH+]2CCC2)cc(C2CCCC2)c1 ZINC001178397879 1121783012 /nfs/dbraw/zinc/78/30/12/1121783012.db2.gz HBLKXVYOFNDQHM-UHFFFAOYSA-N 2 1 272.436 3.530 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](C)CCc2c[nH]c3ccccc23)CC1 ZINC000631578928 1129009734 /nfs/dbraw/zinc/00/97/34/1129009734.db2.gz BGDMJAFGLJFFLT-OAHLLOKOSA-N 2 1 299.462 3.563 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC001178628712 1121803397 /nfs/dbraw/zinc/80/33/97/1121803397.db2.gz BGOYIVIJNZHKHF-OWCLPIDISA-N 2 1 254.462 3.521 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](C)c2ccc(C)cc2)C1 ZINC001179855702 1121917205 /nfs/dbraw/zinc/91/72/05/1121917205.db2.gz ZXNCDWKHERAEGS-QZTJIDSGSA-N 2 1 288.479 3.762 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](C)c2ccc(C)cc2)C1 ZINC001179855702 1121917211 /nfs/dbraw/zinc/91/72/11/1121917211.db2.gz ZXNCDWKHERAEGS-QZTJIDSGSA-N 2 1 288.479 3.762 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](C)c2ccc(C)cc2)C1 ZINC001179855702 1121917219 /nfs/dbraw/zinc/91/72/19/1121917219.db2.gz ZXNCDWKHERAEGS-QZTJIDSGSA-N 2 1 288.479 3.762 20 0 CHADMP C[C@@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647889296 1121955652 /nfs/dbraw/zinc/95/56/52/1121955652.db2.gz CLFWAYGDPDEHKV-IRXDYDNUSA-N 2 1 294.442 3.956 20 0 CHADMP CC[C@@H]1C[C@]1([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(C)c1 ZINC000419725381 1121965777 /nfs/dbraw/zinc/96/57/77/1121965777.db2.gz IKCXARXGDGCJLU-VBSBHUPXSA-N 2 1 298.474 3.837 20 0 CHADMP C[C@H]1C[N@H+](Cc2ccccc2Oc2ccccc2)CC[C@@H]1[NH3+] ZINC000420293684 1121993662 /nfs/dbraw/zinc/99/36/62/1121993662.db2.gz ROXGDTVKYWIGON-YJBOKZPZSA-N 2 1 296.414 3.648 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2Oc2ccccc2)CC[C@@H]1[NH3+] ZINC000420293684 1121993667 /nfs/dbraw/zinc/99/36/67/1121993667.db2.gz ROXGDTVKYWIGON-YJBOKZPZSA-N 2 1 296.414 3.648 20 0 CHADMP Cc1ccccc1C1CC([N@@H+](CC[C@H]2CC[NH2+]C2)C2CC2)C1 ZINC000420310997 1121997156 /nfs/dbraw/zinc/99/71/56/1121997156.db2.gz VPYMUVNBKMENBZ-LRYGQEGESA-N 2 1 298.474 3.705 20 0 CHADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H](C)c1ccc(F)cc1 ZINC000420301691 1121997613 /nfs/dbraw/zinc/99/76/13/1121997613.db2.gz ITHNEMZXLAJHSK-LSDHHAIUSA-N 2 1 278.415 3.598 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000420304144 1121998523 /nfs/dbraw/zinc/99/85/23/1121998523.db2.gz KYOWJKSBZSSFAZ-ZIAGYGMSSA-N 2 1 292.854 3.865 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)[C@H]1CC2CCC1CC2 ZINC001181410975 1122051733 /nfs/dbraw/zinc/05/17/33/1122051733.db2.gz VPMVNHLGISJJTQ-AXRJEEMOSA-N 2 1 266.473 3.521 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000502434057 1122085721 /nfs/dbraw/zinc/08/57/21/1122085721.db2.gz XNIPZIMXNXQTNT-NZSAHSFTSA-N 2 1 298.474 3.819 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000502434057 1122085730 /nfs/dbraw/zinc/08/57/30/1122085730.db2.gz XNIPZIMXNXQTNT-NZSAHSFTSA-N 2 1 298.474 3.819 20 0 CHADMP C[N@@H+](CCCCCC[NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC000710800293 1122121426 /nfs/dbraw/zinc/12/14/26/1122121426.db2.gz VBJOGESJJMSHOP-UHFFFAOYSA-N 2 1 289.250 3.944 20 0 CHADMP CC[C@H](C)[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000502685414 1122136700 /nfs/dbraw/zinc/13/67/00/1122136700.db2.gz UMPHQMHWIMZRAV-FUHWJXTLSA-N 2 1 274.452 3.771 20 0 CHADMP CC[C@H](C)[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000502685414 1122136703 /nfs/dbraw/zinc/13/67/03/1122136703.db2.gz UMPHQMHWIMZRAV-FUHWJXTLSA-N 2 1 274.452 3.771 20 0 CHADMP CC[C@H](C)[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000502685414 1122136707 /nfs/dbraw/zinc/13/67/07/1122136707.db2.gz UMPHQMHWIMZRAV-FUHWJXTLSA-N 2 1 274.452 3.771 20 0 CHADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000502693467 1122140477 /nfs/dbraw/zinc/14/04/77/1122140477.db2.gz UYKIFLZMCUGQET-DLBZAZTESA-N 2 1 292.854 3.961 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000502693467 1122140481 /nfs/dbraw/zinc/14/04/81/1122140481.db2.gz UYKIFLZMCUGQET-DLBZAZTESA-N 2 1 292.854 3.961 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000502693467 1122140484 /nfs/dbraw/zinc/14/04/84/1122140484.db2.gz UYKIFLZMCUGQET-DLBZAZTESA-N 2 1 292.854 3.961 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000502693467 1122140488 /nfs/dbraw/zinc/14/04/88/1122140488.db2.gz UYKIFLZMCUGQET-DLBZAZTESA-N 2 1 292.854 3.961 20 0 CHADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000502693468 1122140508 /nfs/dbraw/zinc/14/05/08/1122140508.db2.gz UYKIFLZMCUGQET-IAGOWNOFSA-N 2 1 292.854 3.961 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000502693468 1122140512 /nfs/dbraw/zinc/14/05/12/1122140512.db2.gz UYKIFLZMCUGQET-IAGOWNOFSA-N 2 1 292.854 3.961 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000502693468 1122140516 /nfs/dbraw/zinc/14/05/16/1122140516.db2.gz UYKIFLZMCUGQET-IAGOWNOFSA-N 2 1 292.854 3.961 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000502693468 1122140517 /nfs/dbraw/zinc/14/05/17/1122140517.db2.gz UYKIFLZMCUGQET-IAGOWNOFSA-N 2 1 292.854 3.961 20 0 CHADMP C1=C[C@H]([N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCC1 ZINC000502737497 1122143397 /nfs/dbraw/zinc/14/33/97/1122143397.db2.gz DZFLJHQICGHAGU-ROUUACIJSA-N 2 1 276.468 3.683 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000502906207 1122155550 /nfs/dbraw/zinc/15/55/50/1122155550.db2.gz PUAZMDCVFQIVDV-NVXWUHKLSA-N 2 1 292.854 3.614 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000502906207 1122155555 /nfs/dbraw/zinc/15/55/55/1122155555.db2.gz PUAZMDCVFQIVDV-NVXWUHKLSA-N 2 1 292.854 3.614 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000502906207 1122155557 /nfs/dbraw/zinc/15/55/57/1122155557.db2.gz PUAZMDCVFQIVDV-NVXWUHKLSA-N 2 1 292.854 3.614 20 0 CHADMP Cc1ccc(C)c([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)c1 ZINC000503064544 1122164909 /nfs/dbraw/zinc/16/49/09/1122164909.db2.gz RFWKTOQUBSDCIX-PKOBYXMFSA-N 2 1 286.463 3.925 20 0 CHADMP Cc1ccc(C)c([C@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)c1 ZINC000503064544 1122164912 /nfs/dbraw/zinc/16/49/12/1122164912.db2.gz RFWKTOQUBSDCIX-PKOBYXMFSA-N 2 1 286.463 3.925 20 0 CHADMP CC(C)CC[C@@H]1CCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000503064604 1122164933 /nfs/dbraw/zinc/16/49/33/1122164933.db2.gz SALMTYUYTHSFKW-IRXDYDNUSA-N 2 1 266.473 3.761 20 0 CHADMP CC(C)CC[C@@H]1CCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000503064604 1122164935 /nfs/dbraw/zinc/16/49/35/1122164935.db2.gz SALMTYUYTHSFKW-IRXDYDNUSA-N 2 1 266.473 3.761 20 0 CHADMP Cc1ccc2cc(C[NH2+]CCC[N@H+](C)CC(C)C)ccc2n1 ZINC001182712786 1122185079 /nfs/dbraw/zinc/18/50/79/1122185079.db2.gz BQKFSVWGPWKRCC-UHFFFAOYSA-N 2 1 299.462 3.611 20 0 CHADMP C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001182958578 1122197509 /nfs/dbraw/zinc/19/75/09/1122197509.db2.gz BUYAWWLCTUAVSO-HLLBOEOZSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001182958578 1122197510 /nfs/dbraw/zinc/19/75/10/1122197510.db2.gz BUYAWWLCTUAVSO-HLLBOEOZSA-N 2 1 264.457 3.562 20 0 CHADMP CC1CC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000272466128 1122203808 /nfs/dbraw/zinc/20/38/08/1122203808.db2.gz ZNPXYVACFZKYQF-QOMBBOSNSA-N 2 1 284.447 3.570 20 0 CHADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC001183093439 1122205911 /nfs/dbraw/zinc/20/59/11/1122205911.db2.gz BQEAZAXEKJYOIP-FZCLSBEQSA-N 2 1 278.484 3.523 20 0 CHADMP C[C@@H]([NH2+]Cc1ccccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272732379 1122211030 /nfs/dbraw/zinc/21/10/30/1122211030.db2.gz ZZGAKUIVPSYQEY-ZBFHGGJFSA-N 2 1 290.426 3.568 20 0 CHADMP C[C@@H]([NH2+]Cc1ccccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272732379 1122211033 /nfs/dbraw/zinc/21/10/33/1122211033.db2.gz ZZGAKUIVPSYQEY-ZBFHGGJFSA-N 2 1 290.426 3.568 20 0 CHADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cc3cc(Cl)ccc3[nH]2)CC1 ZINC001205266457 1122222887 /nfs/dbraw/zinc/22/28/87/1122222887.db2.gz VAESIITUTPPAPB-INIZCTEOSA-N 2 1 291.826 3.525 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205281538 1122239722 /nfs/dbraw/zinc/23/97/22/1122239722.db2.gz UMCOHILJCORZJQ-QGZVFWFLSA-N 2 1 288.460 3.913 20 0 CHADMP CC(C)c1cccc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)c1 ZINC001184197345 1122259459 /nfs/dbraw/zinc/25/94/59/1122259459.db2.gz NJQGMQMTZLDPRS-UHFFFAOYSA-N 2 1 276.468 3.830 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(C)c1Cl ZINC001205295615 1122271529 /nfs/dbraw/zinc/27/15/29/1122271529.db2.gz APPDYNFXZMNRSK-MRXNPFEDSA-N 2 1 280.843 3.660 20 0 CHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CCCC2)CC1 ZINC000514103884 1122376386 /nfs/dbraw/zinc/37/63/86/1122376386.db2.gz GDHOXTGDLJJUGJ-UHFFFAOYSA-N 2 1 286.463 3.962 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccccc1OC(C)C ZINC000515154638 1122480425 /nfs/dbraw/zinc/48/04/25/1122480425.db2.gz MLBWQQNWXVKHCS-INIZCTEOSA-N 2 1 292.467 3.856 20 0 CHADMP C[N@H+](Cc1ccco1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001203285313 1122507976 /nfs/dbraw/zinc/50/79/76/1122507976.db2.gz GKGJMLDLIDZKOM-UHFFFAOYSA-N 2 1 298.430 3.624 20 0 CHADMP CC[C@H](C[NH2+][C@H]1CC[C@H](c2ccccc2)C1)[NH+]1CCCC1 ZINC000436285237 1122530844 /nfs/dbraw/zinc/53/08/44/1122530844.db2.gz CYBOJPUMXXWWEE-GBESFXJTSA-N 2 1 286.463 3.787 20 0 CHADMP C[C@@H](CC1CC1)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436293422 1122533788 /nfs/dbraw/zinc/53/37/88/1122533788.db2.gz VCZKHYQRZUMDGD-WMLDXEAASA-N 2 1 264.457 3.562 20 0 CHADMP C[N@@H+]1CCC[C@H]1CC[NH+](Cc1ccc(Cl)cc1)C1CC1 ZINC001190392779 1122535568 /nfs/dbraw/zinc/53/55/68/1122535568.db2.gz SWGVZWWYUABKNW-INIZCTEOSA-N 2 1 292.854 3.789 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+](Cc1ccc(Cl)cc1)C1CC1 ZINC001190392779 1122535569 /nfs/dbraw/zinc/53/55/69/1122535569.db2.gz SWGVZWWYUABKNW-INIZCTEOSA-N 2 1 292.854 3.789 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC001190392779 1122535572 /nfs/dbraw/zinc/53/55/72/1122535572.db2.gz SWGVZWWYUABKNW-INIZCTEOSA-N 2 1 292.854 3.789 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC001190392779 1122535574 /nfs/dbraw/zinc/53/55/74/1122535574.db2.gz SWGVZWWYUABKNW-INIZCTEOSA-N 2 1 292.854 3.789 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205539170 1122551211 /nfs/dbraw/zinc/55/12/11/1122551211.db2.gz TYHQALSDFPYWAA-SJORKVTESA-N 2 1 284.463 3.912 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000516038658 1122564020 /nfs/dbraw/zinc/56/40/20/1122564020.db2.gz WVUHWDXTIGIHKM-JKSUJKDBSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@H]1CCCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167961396 1122592471 /nfs/dbraw/zinc/59/24/71/1122592471.db2.gz JPVFGJXYPPFTEC-ZUWIJXEISA-N 2 1 290.495 3.808 20 0 CHADMP C=C/C=C/CC[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC001192499935 1122648393 /nfs/dbraw/zinc/64/83/93/1122648393.db2.gz GLCVAOQTVUMKPE-AATRIKPKSA-N 2 1 290.495 3.953 20 0 CHADMP C=C/C=C\CC[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC001192499937 1122648811 /nfs/dbraw/zinc/64/88/11/1122648811.db2.gz GLCVAOQTVUMKPE-WAYWQWQTSA-N 2 1 290.495 3.953 20 0 CHADMP Cc1cc(C)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167962231 1122649467 /nfs/dbraw/zinc/64/94/67/1122649467.db2.gz VPXWQRXFDFGLNQ-IHWFROFDSA-N 2 1 298.474 3.798 20 0 CHADMP Cc1ccc([C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c2ccccc2)cc1 ZINC000425935905 1122665899 /nfs/dbraw/zinc/66/58/99/1122665899.db2.gz KAJRSHBZHCAHLQ-XLIONFOSSA-N 2 1 296.458 3.872 20 0 CHADMP Cc1ccc([C@H]([NH2+]C[C@H](C)C[NH+](C)C)c2ccccc2)cc1 ZINC000425935897 1122665917 /nfs/dbraw/zinc/66/59/17/1122665917.db2.gz KAJRSHBZHCAHLQ-FXAWDEMLSA-N 2 1 296.458 3.872 20 0 CHADMP c1ccc(C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000438085866 1122674370 /nfs/dbraw/zinc/67/43/70/1122674370.db2.gz QMYWAEMKSMWFQZ-VNTMZGSJSA-N 2 1 298.474 3.614 20 0 CHADMP c1ccc(C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC000438085866 1122674373 /nfs/dbraw/zinc/67/43/73/1122674373.db2.gz QMYWAEMKSMWFQZ-VNTMZGSJSA-N 2 1 298.474 3.614 20 0 CHADMP C[C@@H](Cc1ccccc1F)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000438085963 1122675065 /nfs/dbraw/zinc/67/50/65/1122675065.db2.gz FUVGOYSVHZJWOK-HNNXBMFYSA-N 2 1 292.442 3.611 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000438108398 1122679027 /nfs/dbraw/zinc/67/90/27/1122679027.db2.gz KINXXUHPJBKMHH-CVEARBPZSA-N 2 1 292.442 3.593 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000438108398 1122679029 /nfs/dbraw/zinc/67/90/29/1122679029.db2.gz KINXXUHPJBKMHH-CVEARBPZSA-N 2 1 292.442 3.593 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000438108398 1122679032 /nfs/dbraw/zinc/67/90/32/1122679032.db2.gz KINXXUHPJBKMHH-CVEARBPZSA-N 2 1 292.442 3.593 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000426036831 1122704986 /nfs/dbraw/zinc/70/49/86/1122704986.db2.gz RZPSWIDNKQXFMZ-ZRGWGRIASA-N 2 1 286.463 3.772 20 0 CHADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001193871233 1122726357 /nfs/dbraw/zinc/72/63/57/1122726357.db2.gz IHELLMFPRRHQAT-OAHLLOKOSA-N 2 1 290.451 3.915 20 0 CHADMP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c(C)c1 ZINC000426315096 1122762368 /nfs/dbraw/zinc/76/23/68/1122762368.db2.gz ZYSAXDLKZMXQFS-SJLPKXTDSA-N 2 1 288.479 3.511 20 0 CHADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC000467384982 1122782626 /nfs/dbraw/zinc/78/26/26/1122782626.db2.gz LGIQEHCBGIFSFW-RDJZCZTQSA-N 2 1 278.484 3.809 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC000467384982 1122782627 /nfs/dbraw/zinc/78/26/27/1122782627.db2.gz LGIQEHCBGIFSFW-RDJZCZTQSA-N 2 1 278.484 3.809 20 0 CHADMP CSc1ccccc1C[C@@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000519038113 1122810854 /nfs/dbraw/zinc/81/08/54/1122810854.db2.gz WBQFHDBWJWCUML-HUUCEWRRSA-N 2 1 294.508 3.658 20 0 CHADMP CSc1ccccc1C[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000519038113 1122810864 /nfs/dbraw/zinc/81/08/64/1122810864.db2.gz WBQFHDBWJWCUML-HUUCEWRRSA-N 2 1 294.508 3.658 20 0 CHADMP c1ccc([C@@H]2C[C@@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167965813 1122817441 /nfs/dbraw/zinc/81/74/41/1122817441.db2.gz NGDNLINFNQUUOQ-HLKUOHOZSA-N 2 1 296.458 3.538 20 0 CHADMP CC1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638722783 1122853518 /nfs/dbraw/zinc/85/35/18/1122853518.db2.gz VDHSHKLGOPUTDL-SJLPKXTDSA-N 2 1 284.447 3.744 20 0 CHADMP CC1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638722783 1122853522 /nfs/dbraw/zinc/85/35/22/1122853522.db2.gz VDHSHKLGOPUTDL-SJLPKXTDSA-N 2 1 284.447 3.744 20 0 CHADMP Cc1coc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000894593027 1122879497 /nfs/dbraw/zinc/87/94/97/1122879497.db2.gz PFMNUHGJSJVTCS-UHFFFAOYSA-N 2 1 299.418 3.500 20 0 CHADMP C[NH+]1CCC(C[N@H+]2CC3(CCC3)[C@H]2c2ccccc2)CC1 ZINC000894610613 1122880909 /nfs/dbraw/zinc/88/09/09/1122880909.db2.gz LPISBSZLIFMRIY-GOSISDBHSA-N 2 1 284.447 3.555 20 0 CHADMP Cc1cccc([C@@H]([NH2+]CC[C@H]2CCC[N@H+]2C)C(C)C)c1 ZINC001196781363 1122934559 /nfs/dbraw/zinc/93/45/59/1122934559.db2.gz ACNYZZOUBNKQSP-MSOLQXFVSA-N 2 1 274.452 3.766 20 0 CHADMP CCCC[C@H](CN)[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000841029968 1122975916 /nfs/dbraw/zinc/97/59/16/1122975916.db2.gz HVBYXHQUERVFDK-GFCCVEGCSA-N 2 1 288.407 3.608 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000841029968 1122975918 /nfs/dbraw/zinc/97/59/18/1122975918.db2.gz HVBYXHQUERVFDK-GFCCVEGCSA-N 2 1 288.407 3.608 20 0 CHADMP Cc1cccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c1 ZINC001203894985 1122982011 /nfs/dbraw/zinc/98/20/11/1122982011.db2.gz PQCRGYIDHIAEGL-OALUTQOASA-N 2 1 286.463 3.834 20 0 CHADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001203894985 1122982013 /nfs/dbraw/zinc/98/20/13/1122982013.db2.gz PQCRGYIDHIAEGL-OALUTQOASA-N 2 1 286.463 3.834 20 0 CHADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001203894985 1122982016 /nfs/dbraw/zinc/98/20/16/1122982016.db2.gz PQCRGYIDHIAEGL-OALUTQOASA-N 2 1 286.463 3.834 20 0 CHADMP CC[C@H](F)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000440774567 1123037089 /nfs/dbraw/zinc/03/70/89/1123037089.db2.gz YFQFIKQKPJULGO-WBVHZDCISA-N 2 1 284.463 3.711 20 0 CHADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1C[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001205901714 1123059890 /nfs/dbraw/zinc/05/98/90/1123059890.db2.gz FNHRYOPWCDGUAO-JWDQPFGJSA-N 2 1 292.854 3.503 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205903057 1123065783 /nfs/dbraw/zinc/06/57/83/1123065783.db2.gz NFQNLNOKMLXZOF-KGLIPLIRSA-N 2 1 288.460 3.769 20 0 CHADMP C[C@@H](CCc1ccccc1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441345212 1123081148 /nfs/dbraw/zinc/08/11/48/1123081148.db2.gz FPUIMIAWDFPZJL-PKOBYXMFSA-N 2 1 288.479 3.814 20 0 CHADMP C[C@@H](CCc1ccccc1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441345212 1123081154 /nfs/dbraw/zinc/08/11/54/1123081154.db2.gz FPUIMIAWDFPZJL-PKOBYXMFSA-N 2 1 288.479 3.814 20 0 CHADMP C[C@@H](CCc1ccccc1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441345212 1123081159 /nfs/dbraw/zinc/08/11/59/1123081159.db2.gz FPUIMIAWDFPZJL-PKOBYXMFSA-N 2 1 288.479 3.814 20 0 CHADMP Cc1c(C)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)ccc1Cl ZINC001205915255 1123084725 /nfs/dbraw/zinc/08/47/25/1123084725.db2.gz OYJWFACVWNSUNK-UONOGXRCSA-N 2 1 280.843 3.516 20 0 CHADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)CC(C)(C)C ZINC001201442546 1123105562 /nfs/dbraw/zinc/10/55/62/1123105562.db2.gz FWQFIZGJRVFTQM-UHFFFAOYSA-N 2 1 288.479 3.877 20 0 CHADMP C[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@H]1C ZINC001167995454 1123107126 /nfs/dbraw/zinc/10/71/26/1123107126.db2.gz GGICYWNGBWVFPM-KSTANIPCSA-N 2 1 276.468 3.512 20 0 CHADMP C[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@H]1C ZINC001167995454 1123107128 /nfs/dbraw/zinc/10/71/28/1123107128.db2.gz GGICYWNGBWVFPM-KSTANIPCSA-N 2 1 276.468 3.512 20 0 CHADMP C[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@H]1C ZINC001167995454 1123107130 /nfs/dbraw/zinc/10/71/30/1123107130.db2.gz GGICYWNGBWVFPM-KSTANIPCSA-N 2 1 276.468 3.512 20 0 CHADMP CC(C)CC[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001201624020 1123132583 /nfs/dbraw/zinc/13/25/83/1123132583.db2.gz KDSZTCOJXKEOJH-UHFFFAOYSA-N 2 1 286.463 3.555 20 0 CHADMP CC(C)CC[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001201624020 1123132585 /nfs/dbraw/zinc/13/25/85/1123132585.db2.gz KDSZTCOJXKEOJH-UHFFFAOYSA-N 2 1 286.463 3.555 20 0 CHADMP CC(C)=CCC[C@H](C)CC[NH+]1CCC([NH+]2CCC2)CC1 ZINC001201993987 1123168009 /nfs/dbraw/zinc/16/80/09/1123168009.db2.gz LMKRBENBUBCIRX-KRWDZBQOSA-N 2 1 278.484 3.929 20 0 CHADMP CC(C)[C@@H]1CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168002941 1123173031 /nfs/dbraw/zinc/17/30/31/1123173031.db2.gz FQYMELZDJIWXPV-WFFDWFOESA-N 2 1 276.468 3.512 20 0 CHADMP CC(C)[C@@H]1CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168002941 1123173033 /nfs/dbraw/zinc/17/30/33/1123173033.db2.gz FQYMELZDJIWXPV-WFFDWFOESA-N 2 1 276.468 3.512 20 0 CHADMP CC(C)[C@@H]1CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168002941 1123173036 /nfs/dbraw/zinc/17/30/36/1123173036.db2.gz FQYMELZDJIWXPV-WFFDWFOESA-N 2 1 276.468 3.512 20 0 CHADMP CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000520580654 1123177952 /nfs/dbraw/zinc/17/79/52/1123177952.db2.gz FTFJJFUCFYYXFI-MSOLQXFVSA-N 2 1 298.474 3.962 20 0 CHADMP CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000520580654 1123177955 /nfs/dbraw/zinc/17/79/55/1123177955.db2.gz FTFJJFUCFYYXFI-MSOLQXFVSA-N 2 1 298.474 3.962 20 0 CHADMP FC(F)(F)CCC[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001202414494 1123204799 /nfs/dbraw/zinc/20/47/99/1123204799.db2.gz CBTDTMAQTCQSTH-AWEZNQCLSA-N 2 1 292.389 3.669 20 0 CHADMP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H](C)CC[NH+](C)C)CCS2 ZINC000427715392 1123245931 /nfs/dbraw/zinc/24/59/31/1123245931.db2.gz QIDSWMRZOQOQDO-GOEBONIOSA-N 2 1 292.492 3.770 20 0 CHADMP Cc1cc(C)cc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000665245712 1123253022 /nfs/dbraw/zinc/25/30/22/1123253022.db2.gz PRZGVJUOWUTTIU-ZWKOTPCHSA-N 2 1 266.388 3.538 20 0 CHADMP CCSc1ccccc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000163250541 1129109291 /nfs/dbraw/zinc/10/92/91/1129109291.db2.gz AWYOBQLHXUPCPR-GJZGRUSLSA-N 2 1 292.492 3.791 20 0 CHADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)c2ccccc21 ZINC000521225886 1123313052 /nfs/dbraw/zinc/31/30/52/1123313052.db2.gz GKJXQGYIAANPLB-FGTMMUONSA-N 2 1 282.362 3.547 20 0 CHADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(Cl)c1 ZINC000271829721 1129115488 /nfs/dbraw/zinc/11/54/88/1129115488.db2.gz DQLJYSCGXGLCHA-MRXNPFEDSA-N 2 1 278.827 3.643 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccsc1 ZINC000443086644 1123355157 /nfs/dbraw/zinc/35/51/57/1123355157.db2.gz NJUWAAKHODYPFQ-CFVMTHIKSA-N 2 1 266.454 3.662 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccsc1 ZINC000443086644 1123355160 /nfs/dbraw/zinc/35/51/60/1123355160.db2.gz NJUWAAKHODYPFQ-CFVMTHIKSA-N 2 1 266.454 3.662 20 0 CHADMP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1csc(Cl)c1 ZINC000191132102 1123387664 /nfs/dbraw/zinc/38/76/64/1123387664.db2.gz VMGSYUTWTVBRTK-NSHDSACASA-N 2 1 272.845 3.538 20 0 CHADMP CCCC[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000157031325 1129120915 /nfs/dbraw/zinc/12/09/15/1129120915.db2.gz UCWQFZIXAMWUEX-AEFFLSMTSA-N 2 1 274.452 3.771 20 0 CHADMP CCCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157031325 1129120917 /nfs/dbraw/zinc/12/09/17/1129120917.db2.gz UCWQFZIXAMWUEX-AEFFLSMTSA-N 2 1 274.452 3.771 20 0 CHADMP CCCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157031325 1129120918 /nfs/dbraw/zinc/12/09/18/1129120918.db2.gz UCWQFZIXAMWUEX-AEFFLSMTSA-N 2 1 274.452 3.771 20 0 CHADMP CCCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157031325 1129120920 /nfs/dbraw/zinc/12/09/20/1129120920.db2.gz UCWQFZIXAMWUEX-AEFFLSMTSA-N 2 1 274.452 3.771 20 0 CHADMP CCCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157031325 1129120921 /nfs/dbraw/zinc/12/09/21/1129120921.db2.gz UCWQFZIXAMWUEX-AEFFLSMTSA-N 2 1 274.452 3.771 20 0 CHADMP C[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853240247 1123429306 /nfs/dbraw/zinc/42/93/06/1123429306.db2.gz NRODDDNKPPFWHZ-GOEBONIOSA-N 2 1 266.473 3.523 20 0 CHADMP CC(C)CSCCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000443608274 1123443814 /nfs/dbraw/zinc/44/38/14/1123443814.db2.gz YHPBHOZTOJKYLH-QGZVFWFLSA-N 2 1 298.540 3.574 20 0 CHADMP CC(C)C[C@@H](C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)c1ccccc1 ZINC000474272477 1123498934 /nfs/dbraw/zinc/49/89/34/1123498934.db2.gz HATIKHGGGUCRBA-GBESFXJTSA-N 2 1 286.463 3.500 20 0 CHADMP CC(C)C[C@@H](C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)c1ccccc1 ZINC000474272477 1123498935 /nfs/dbraw/zinc/49/89/35/1123498935.db2.gz HATIKHGGGUCRBA-GBESFXJTSA-N 2 1 286.463 3.500 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC23CCC3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168031883 1123501951 /nfs/dbraw/zinc/50/19/51/1123501951.db2.gz FKRWRXDHBUBPSB-UKBAYJJMSA-N 2 1 298.474 3.960 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC23CCC3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168031882 1123502499 /nfs/dbraw/zinc/50/24/99/1123502499.db2.gz FKRWRXDHBUBPSB-NBMJBFSESA-N 2 1 298.474 3.960 20 0 CHADMP COC1(C[C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CCC1 ZINC000429523500 1123531969 /nfs/dbraw/zinc/53/19/69/1123531969.db2.gz SDOUTGQDZWSGOC-SJORKVTESA-N 2 1 296.499 3.578 20 0 CHADMP C[C@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)[C@@H](C)c1ccc(Cl)cc1 ZINC000474616230 1123559359 /nfs/dbraw/zinc/55/93/59/1123559359.db2.gz YOJZLXIEYKWOBJ-IGCXYCKISA-N 2 1 294.870 3.762 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C1CCCC1 ZINC000453350916 1123575548 /nfs/dbraw/zinc/57/55/48/1123575548.db2.gz JZTUBBJEGBENMV-ATZDWAIDSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C1CCCC1 ZINC000453350916 1123575550 /nfs/dbraw/zinc/57/55/50/1123575550.db2.gz JZTUBBJEGBENMV-ATZDWAIDSA-N 2 1 286.463 3.990 20 0 CHADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C1CCSCC1 ZINC000474868043 1123605280 /nfs/dbraw/zinc/60/52/80/1123605280.db2.gz KBEPXNRXDPQJRS-RDJZCZTQSA-N 2 1 298.540 3.618 20 0 CHADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C1CCSCC1 ZINC000474868043 1123605284 /nfs/dbraw/zinc/60/52/84/1123605284.db2.gz KBEPXNRXDPQJRS-RDJZCZTQSA-N 2 1 298.540 3.618 20 0 CHADMP C[C@@H]([NH2+]C(C1CC1)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274904678 1129133257 /nfs/dbraw/zinc/13/32/57/1129133257.db2.gz LXULRYPXVPQMMM-DNVCBOLYSA-N 2 1 298.474 3.675 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC001205008407 1123636809 /nfs/dbraw/zinc/63/68/09/1123636809.db2.gz AAKMUHATMXUVFR-CHYADLBTSA-N 2 1 266.473 3.835 20 0 CHADMP CC(C)c1ccccc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000858245844 1123639329 /nfs/dbraw/zinc/63/93/29/1123639329.db2.gz PPOKOHVDSJURPC-INIZCTEOSA-N 2 1 274.452 3.632 20 0 CHADMP C[C@H](CC[NH2+]C1CC(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000395297015 1123656588 /nfs/dbraw/zinc/65/65/88/1123656588.db2.gz OBMAVJCTEPEYQJ-OAHLLOKOSA-N 2 1 274.452 3.675 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccccc2)c1 ZINC000173387821 1123671769 /nfs/dbraw/zinc/67/17/69/1123671769.db2.gz ZVFQBJISJDFARE-MRXNPFEDSA-N 2 1 282.431 3.989 20 0 CHADMP Cc1nccn1CC[N@H+]1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000346309445 1123679672 /nfs/dbraw/zinc/67/96/72/1123679672.db2.gz LZWOUMGARWWOBP-GOSISDBHSA-N 2 1 283.419 3.645 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000346328772 1123681351 /nfs/dbraw/zinc/68/13/51/1123681351.db2.gz PYWWRQSGXASTFD-LJQANCHMSA-N 2 1 295.430 3.734 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000346328772 1123681354 /nfs/dbraw/zinc/68/13/54/1123681354.db2.gz PYWWRQSGXASTFD-LJQANCHMSA-N 2 1 295.430 3.734 20 0 CHADMP CC(C)Oc1ccc2ccccc2c1C[NH+]1CCC([NH3+])CC1 ZINC000346650704 1123701525 /nfs/dbraw/zinc/70/15/25/1123701525.db2.gz PYDOKNIHAPQOFL-UHFFFAOYSA-N 2 1 298.430 3.550 20 0 CHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(-c4ccccc4)c3)C[C@@H]12 ZINC000346821487 1123717069 /nfs/dbraw/zinc/71/70/69/1123717069.db2.gz AHBSEPIRPAPIFR-XUVXKRRUSA-N 2 1 292.426 3.523 20 0 CHADMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1Cl ZINC000443985846 1123719055 /nfs/dbraw/zinc/71/90/55/1123719055.db2.gz ZYGQUZVJRXHDCE-INIZCTEOSA-N 2 1 294.870 3.858 20 0 CHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccccn1 ZINC000347000919 1123738641 /nfs/dbraw/zinc/73/86/41/1123738641.db2.gz UPRDVYFXFJXKBJ-XYJFISCASA-N 2 1 289.467 3.633 20 0 CHADMP CSc1ccccc1[C@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000281807251 1123745869 /nfs/dbraw/zinc/74/58/69/1123745869.db2.gz VSZYKTKLBAJDQG-ZDUSSCGKSA-N 2 1 289.448 3.654 20 0 CHADMP Cn1c[nH+]cc1CC[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000276648322 1129145755 /nfs/dbraw/zinc/14/57/55/1129145755.db2.gz MASWXTBBZCFRSQ-KRWDZBQOSA-N 2 1 285.435 3.730 20 0 CHADMP CC[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000086903858 1123800361 /nfs/dbraw/zinc/80/03/61/1123800361.db2.gz YHQUQCBUYMUTLC-CABCVRRESA-N 2 1 264.457 3.562 20 0 CHADMP C[C@@H](C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1)C1CCCCC1 ZINC000339037523 1123808764 /nfs/dbraw/zinc/80/87/64/1123808764.db2.gz NCANJIGSWBFTJF-GOEBONIOSA-N 2 1 275.440 3.806 20 0 CHADMP C[C@]1([NH3+])CC[N@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC001204782675 1123813345 /nfs/dbraw/zinc/81/33/45/1123813345.db2.gz IJWAXLFEFDOYEN-SFHVURJKSA-N 2 1 296.439 3.978 20 0 CHADMP C[C@]1([NH3+])CC[N@@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC001204782675 1123813348 /nfs/dbraw/zinc/81/33/48/1123813348.db2.gz IJWAXLFEFDOYEN-SFHVURJKSA-N 2 1 296.439 3.978 20 0 CHADMP CC[C@@H](C[NH2+]C[C@@H](C)[NH+](CC)CC)c1ccccc1 ZINC000475362289 1123849874 /nfs/dbraw/zinc/84/98/74/1123849874.db2.gz VNNMWMCNKYVRLA-CVEARBPZSA-N 2 1 262.441 3.500 20 0 CHADMP CC[NH+](CC)Cc1ccccc1CNc1cc(C)[nH+]c(C)n1 ZINC000301103599 1123875436 /nfs/dbraw/zinc/87/54/36/1123875436.db2.gz ZIWGHGOJZBGDQQ-UHFFFAOYSA-N 2 1 298.434 3.547 20 0 CHADMP C[N@H+]1CCC[C@H](CNc2ccccn2)[C@H]1c1cccs1 ZINC000301426031 1123899593 /nfs/dbraw/zinc/89/95/93/1123899593.db2.gz PBCMOUPRCOLIFB-CJNGLKHVSA-N 2 1 287.432 3.638 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@@H]13)CCC2 ZINC000339065604 1123914561 /nfs/dbraw/zinc/91/45/61/1123914561.db2.gz BFNFQNQHFRGXOG-QYZOEREBSA-N 2 1 284.447 3.589 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@@H]13)CCC2 ZINC000339065604 1123914564 /nfs/dbraw/zinc/91/45/64/1123914564.db2.gz BFNFQNQHFRGXOG-QYZOEREBSA-N 2 1 284.447 3.589 20 0 CHADMP C[NH+](C)[C@H](CNc1cc[nH+]cc1Cl)c1cccc(F)c1 ZINC000301590615 1123915580 /nfs/dbraw/zinc/91/55/80/1123915580.db2.gz QMFZSJIOIABFEI-OAHLLOKOSA-N 2 1 293.773 3.589 20 0 CHADMP CC(C)C[N@@H+]1CC[C@H](CNc2cc[nH+]c3ccsc32)C1 ZINC000301604422 1123917058 /nfs/dbraw/zinc/91/70/58/1123917058.db2.gz LURNYGWCEYGKPQ-CYBMUJFWSA-N 2 1 289.448 3.686 20 0 CHADMP CC(C)C[N@H+]1CC[C@H](CNc2cc[nH+]c3ccsc32)C1 ZINC000301604422 1123917061 /nfs/dbraw/zinc/91/70/61/1123917061.db2.gz LURNYGWCEYGKPQ-CYBMUJFWSA-N 2 1 289.448 3.686 20 0 CHADMP CC[N@@H+](C)C[C@H]1CCN(c2c(C)c(C)[nH+]c3ccccc32)C1 ZINC000302094469 1123955139 /nfs/dbraw/zinc/95/51/39/1123955139.db2.gz RDDANGFNBGGCGY-MRXNPFEDSA-N 2 1 297.446 3.630 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCc2cccc3cccc1c32 ZINC000866250434 1124041792 /nfs/dbraw/zinc/04/17/92/1124041792.db2.gz AOXCCDHVHQUPDH-SFHVURJKSA-N 2 1 291.398 3.622 20 0 CHADMP CC[C@H]1CCCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000444594544 1124043558 /nfs/dbraw/zinc/04/35/58/1124043558.db2.gz INSYRMCRTMRFQE-INIZCTEOSA-N 2 1 252.446 3.517 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)Cc1cccc(C)c1 ZINC000866272300 1124045690 /nfs/dbraw/zinc/04/56/90/1124045690.db2.gz MOUJXHOQCCRMBF-MRXNPFEDSA-N 2 1 285.435 3.501 20 0 CHADMP CC[C@H](C)[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000444602022 1124045774 /nfs/dbraw/zinc/04/57/74/1124045774.db2.gz YBRATHXTASRITP-DLBZAZTESA-N 2 1 266.473 3.763 20 0 CHADMP CCc1ccccc1CC[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000444647399 1124047729 /nfs/dbraw/zinc/04/77/29/1124047729.db2.gz FBIIKHMWDUPKJU-APWZRJJASA-N 2 1 288.479 3.596 20 0 CHADMP CCc1ccccc1CC[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000444647399 1124047732 /nfs/dbraw/zinc/04/77/32/1124047732.db2.gz FBIIKHMWDUPKJU-APWZRJJASA-N 2 1 288.479 3.596 20 0 CHADMP CCc1ccccc1CC[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000444647399 1124047738 /nfs/dbraw/zinc/04/77/38/1124047738.db2.gz FBIIKHMWDUPKJU-APWZRJJASA-N 2 1 288.479 3.596 20 0 CHADMP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000445354718 1124080669 /nfs/dbraw/zinc/08/06/69/1124080669.db2.gz TXBFXRGKMXNPPJ-SJORKVTESA-N 2 1 298.474 3.654 20 0 CHADMP Cc1coc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000718028564 1129165472 /nfs/dbraw/zinc/16/54/72/1129165472.db2.gz BYIRHAAAPQIZMA-AEFFLSMTSA-N 2 1 298.430 3.588 20 0 CHADMP Cc1coc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000718028564 1129165474 /nfs/dbraw/zinc/16/54/74/1129165474.db2.gz BYIRHAAAPQIZMA-AEFFLSMTSA-N 2 1 298.430 3.588 20 0 CHADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000841030838 1124107621 /nfs/dbraw/zinc/10/76/21/1124107621.db2.gz LSUOPYHPAKXFIQ-UHFFFAOYSA-N 2 1 288.407 3.608 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C)C2(CCCCC2)C1 ZINC000360596890 1124132078 /nfs/dbraw/zinc/13/20/78/1124132078.db2.gz NVYGAHGTLWCJTL-MRXNPFEDSA-N 2 1 289.467 3.874 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C)C2(CCCCC2)C1 ZINC000360596890 1124132079 /nfs/dbraw/zinc/13/20/79/1124132079.db2.gz NVYGAHGTLWCJTL-MRXNPFEDSA-N 2 1 289.467 3.874 20 0 CHADMP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC)C1)c1cc(C)ccn1 ZINC001118991241 1131244865 /nfs/dbraw/zinc/24/48/65/1131244865.db2.gz JPCVFGAOJBWKMY-DLBZAZTESA-N 2 1 289.467 3.553 20 0 CHADMP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)c1cc(C)ccn1 ZINC001118991241 1131244868 /nfs/dbraw/zinc/24/48/68/1131244868.db2.gz JPCVFGAOJBWKMY-DLBZAZTESA-N 2 1 289.467 3.553 20 0 CHADMP CCC[NH+](CCC)CCC[NH2+][C@@H]1CCCc2occc21 ZINC000447531075 1124482624 /nfs/dbraw/zinc/48/26/24/1124482624.db2.gz PVJOEAKRTILBQI-MRXNPFEDSA-N 2 1 278.440 3.759 20 0 CHADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000447536963 1124484348 /nfs/dbraw/zinc/48/43/48/1124484348.db2.gz ROSSZUNULRCPHG-RYGJVYDSSA-N 2 1 298.474 3.945 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCC3(CCCCC3)CC2)C1 ZINC000525969760 1124486480 /nfs/dbraw/zinc/48/64/80/1124486480.db2.gz PSSLWNRTDVXWEP-INIZCTEOSA-N 2 1 278.484 3.811 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+]CC[C@@H](C)c2ccccc2)C1 ZINC000447820969 1124527376 /nfs/dbraw/zinc/52/73/76/1124527376.db2.gz IUUAGFILIKDIEB-IAGOWNOFSA-N 2 1 274.452 3.502 20 0 CHADMP CC[C@@H](C[NH2+]CC[C@@H](C)c1ccccc1)[NH+]1CCCC1 ZINC000447820438 1124527636 /nfs/dbraw/zinc/52/76/36/1124527636.db2.gz GYFBVLLIXNEUPL-AEFFLSMTSA-N 2 1 274.452 3.644 20 0 CHADMP CCc1ccccc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000527324696 1124566799 /nfs/dbraw/zinc/56/67/99/1124566799.db2.gz GDFLYYRPBZLWCJ-UHFFFAOYSA-N 2 1 286.463 3.699 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000449088412 1124644163 /nfs/dbraw/zinc/64/41/63/1124644163.db2.gz IDMTWOHMRSIOKY-CQSZACIVSA-N 2 1 297.402 3.549 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCC12CCC2 ZINC000449081166 1124646815 /nfs/dbraw/zinc/64/68/15/1124646815.db2.gz CGTOCWVMLVSBJV-IRXDYDNUSA-N 2 1 278.484 3.953 20 0 CHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000449081692 1124646855 /nfs/dbraw/zinc/64/68/55/1124646855.db2.gz HGQVVWSEOSQBSM-DLBZAZTESA-N 2 1 278.484 3.811 20 0 CHADMP C[NH+]1CCC([NH2+][C@@H]2CC(C)(C)Sc3ccccc32)CC1 ZINC000872018114 1124656558 /nfs/dbraw/zinc/65/65/58/1124656558.db2.gz INUBFINFIYUDCU-OAHLLOKOSA-N 2 1 290.476 3.686 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)C1CCC1 ZINC000449212463 1124670783 /nfs/dbraw/zinc/67/07/83/1124670783.db2.gz SQJPIBFIPBLMTE-WBVHZDCISA-N 2 1 266.473 3.523 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2CC(C)(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000449377440 1124715868 /nfs/dbraw/zinc/71/58/68/1124715868.db2.gz UBBDBWLBHIZHCY-VFPGXZCRSA-N 2 1 290.426 3.520 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2CC(C)(F)C2)CC[N@H+]1Cc1ccccc1 ZINC000449377440 1124715870 /nfs/dbraw/zinc/71/58/70/1124715870.db2.gz UBBDBWLBHIZHCY-VFPGXZCRSA-N 2 1 290.426 3.520 20 0 CHADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cscc2Cl)C1 ZINC000873223778 1124753404 /nfs/dbraw/zinc/75/34/04/1124753404.db2.gz SCFBFZKAIPOQPG-AWEZNQCLSA-N 2 1 286.872 3.598 20 0 CHADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cscc2Cl)C1 ZINC000873223778 1124753416 /nfs/dbraw/zinc/75/34/16/1124753416.db2.gz SCFBFZKAIPOQPG-AWEZNQCLSA-N 2 1 286.872 3.598 20 0 CHADMP CC/C=C/C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000449463403 1124758119 /nfs/dbraw/zinc/75/81/19/1124758119.db2.gz WWHVNXLCWDPOAN-VBROQKIQSA-N 2 1 269.392 3.798 20 0 CHADMP C[C@@H]([NH2+]Cc1ccc(C(C)(C)C)s1)c1c[nH+]ccc1N ZINC000873280412 1124760742 /nfs/dbraw/zinc/76/07/42/1124760742.db2.gz ANFRSLTXHZARJZ-LLVKDONJSA-N 2 1 289.448 3.704 20 0 CHADMP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@@H]1CCC[C@@H](C)C1 ZINC000449766801 1124865777 /nfs/dbraw/zinc/86/57/77/1124865777.db2.gz ORYZMKDHWMAPCO-HZSPNIEDSA-N 2 1 295.496 3.509 20 0 CHADMP CCCC[N@@H+](C)CC1CCN(c2cc[nH+]c(CC)c2)CC1 ZINC000450268312 1124966096 /nfs/dbraw/zinc/96/60/96/1124966096.db2.gz ZNGQRZBFTTWVMV-UHFFFAOYSA-N 2 1 289.467 3.592 20 0 CHADMP CC[C@@H](C)[C@@H](C)[N@@H+](CCCCn1ccnc1C)C1CC1 ZINC000120690053 1124967392 /nfs/dbraw/zinc/96/73/92/1124967392.db2.gz UGSNCYNWMJROPE-HUUCEWRRSA-N 2 1 277.456 3.871 20 0 CHADMP CC[C@@H](C)[C@@H](C)[N@H+](CCCCn1cc[nH+]c1C)C1CC1 ZINC000120690053 1124967398 /nfs/dbraw/zinc/96/73/98/1124967398.db2.gz UGSNCYNWMJROPE-HUUCEWRRSA-N 2 1 277.456 3.871 20 0 CHADMP CC[C@@H](C)[C@@H](C)[N@@H+](CCCCn1cc[nH+]c1C)C1CC1 ZINC000120690053 1124967400 /nfs/dbraw/zinc/96/74/00/1124967400.db2.gz UGSNCYNWMJROPE-HUUCEWRRSA-N 2 1 277.456 3.871 20 0 CHADMP C[N@H+]1CCC[C@@H]2C[NH+](CC/C=C/c3ccccc3)CC[C@@H]21 ZINC000450500975 1125046804 /nfs/dbraw/zinc/04/68/04/1125046804.db2.gz MCIMUHCPQWNJBT-NVRXALOBSA-N 2 1 284.447 3.506 20 0 CHADMP C[NH+]1CCC[C@@H]2C[N@H+](CC/C=C/c3ccccc3)CC[C@@H]21 ZINC000450500975 1125046810 /nfs/dbraw/zinc/04/68/10/1125046810.db2.gz MCIMUHCPQWNJBT-NVRXALOBSA-N 2 1 284.447 3.506 20 0 CHADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC/C=C/c3ccccc3)CC[C@@H]21 ZINC000450500975 1125046819 /nfs/dbraw/zinc/04/68/19/1125046819.db2.gz MCIMUHCPQWNJBT-NVRXALOBSA-N 2 1 284.447 3.506 20 0 CHADMP C1=C[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000877623913 1125056365 /nfs/dbraw/zinc/05/63/65/1125056365.db2.gz DZNZSDFINOQJQF-JENIJYKNSA-N 2 1 282.431 3.663 20 0 CHADMP C1=C[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000877623913 1125056372 /nfs/dbraw/zinc/05/63/72/1125056372.db2.gz DZNZSDFINOQJQF-JENIJYKNSA-N 2 1 282.431 3.663 20 0 CHADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390727989 1125110858 /nfs/dbraw/zinc/11/08/58/1125110858.db2.gz SUNCVCYPLRQNEO-GUDVDZBRSA-N 2 1 286.463 3.677 20 0 CHADMP CC(C)C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000530225196 1125133265 /nfs/dbraw/zinc/13/32/65/1125133265.db2.gz XBIDFFHURKMHKO-IRXDYDNUSA-N 2 1 272.436 3.648 20 0 CHADMP CCCc1ccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000392242759 1125142744 /nfs/dbraw/zinc/14/27/44/1125142744.db2.gz MEFFZAMUNYTWHM-OAHLLOKOSA-N 2 1 272.436 3.552 20 0 CHADMP CCC(C)(C)C1CCC([NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000392236261 1125143154 /nfs/dbraw/zinc/14/31/54/1125143154.db2.gz FYMWLNLNMMYVBD-UHFFFAOYSA-N 2 1 278.484 3.833 20 0 CHADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(C(C)(C)C)cc1 ZINC000392264688 1125143706 /nfs/dbraw/zinc/14/37/06/1125143706.db2.gz MFAWIMDVDYSYPP-OAHLLOKOSA-N 2 1 286.463 3.897 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)cccc2C)C[C@@H]1C ZINC000530663047 1125170628 /nfs/dbraw/zinc/17/06/28/1125170628.db2.gz CLUQXIPNNIGNLN-DLBZAZTESA-N 2 1 274.452 3.608 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)cccc2C)C[C@@H]1C ZINC000530663047 1125170632 /nfs/dbraw/zinc/17/06/32/1125170632.db2.gz CLUQXIPNNIGNLN-DLBZAZTESA-N 2 1 274.452 3.608 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)cccc2C)C[C@@H]1C ZINC000530663047 1125170636 /nfs/dbraw/zinc/17/06/36/1125170636.db2.gz CLUQXIPNNIGNLN-DLBZAZTESA-N 2 1 274.452 3.608 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)cc(C)c2)C[C@H]1C ZINC000530662676 1125171060 /nfs/dbraw/zinc/17/10/60/1125171060.db2.gz DJXGVFNDUQEQTB-SJLPKXTDSA-N 2 1 274.452 3.608 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)cc(C)c2)C[C@H]1C ZINC000530662676 1125171063 /nfs/dbraw/zinc/17/10/63/1125171063.db2.gz DJXGVFNDUQEQTB-SJLPKXTDSA-N 2 1 274.452 3.608 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)cc(C)c2)C[C@H]1C ZINC000530662676 1125171066 /nfs/dbraw/zinc/17/10/66/1125171066.db2.gz DJXGVFNDUQEQTB-SJLPKXTDSA-N 2 1 274.452 3.608 20 0 CHADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2ccccc2c1 ZINC000531201856 1125200184 /nfs/dbraw/zinc/20/01/84/1125200184.db2.gz QDQLFLMDCGPRLK-UXHICEINSA-N 2 1 294.442 3.898 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)ccc2C)C[C@H]1C ZINC000531378968 1125214274 /nfs/dbraw/zinc/21/42/74/1125214274.db2.gz CROAVKRRINJCPM-AEFFLSMTSA-N 2 1 274.452 3.608 20 0 CHADMP CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000532227301 1125242151 /nfs/dbraw/zinc/24/21/51/1125242151.db2.gz CFSSENUIMIKXAD-WBVHZDCISA-N 2 1 266.473 3.667 20 0 CHADMP C[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000309686797 1125379778 /nfs/dbraw/zinc/37/97/78/1125379778.db2.gz BWKFLLFNWCHLHN-WMZOPIPTSA-N 2 1 288.479 3.780 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)C2CCCCC2)[C@@H](C)C1 ZINC000532467856 1125396186 /nfs/dbraw/zinc/39/61/86/1125396186.db2.gz HZGGWRYMCBUAOC-VYDXJSESSA-N 2 1 266.473 3.523 20 0 CHADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883439500 1125410248 /nfs/dbraw/zinc/41/02/48/1125410248.db2.gz SWOSLCDSEHCTOL-HIFRSBDPSA-N 2 1 288.426 3.509 20 0 CHADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)c2ccccc21 ZINC000132089371 1125414292 /nfs/dbraw/zinc/41/42/92/1125414292.db2.gz FSDTZGDJJKDXSD-JKSUJKDBSA-N 2 1 272.779 3.574 20 0 CHADMP C[C@@H]1C[C@H](C)[NH+](CCCCC[N@H+]2C[C@@H](C)C[C@@H]2C)C1 ZINC000532575000 1125416441 /nfs/dbraw/zinc/41/64/41/1125416441.db2.gz MVTMJUIXPGLJSD-YVSFHVDLSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@@H]1C[C@H](C)[N@H+](CCCCC[NH+]2C[C@@H](C)C[C@@H]2C)C1 ZINC000532575000 1125416444 /nfs/dbraw/zinc/41/64/44/1125416444.db2.gz MVTMJUIXPGLJSD-YVSFHVDLSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@@H]1C[C@H](C)[N@@H+](CCCCC[NH+]2C[C@@H](C)C[C@@H]2C)C1 ZINC000532575000 1125416446 /nfs/dbraw/zinc/41/64/46/1125416446.db2.gz MVTMJUIXPGLJSD-YVSFHVDLSA-N 2 1 266.473 3.617 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](c2ccc(F)cc2)C(C)C)CC1 ZINC000035016487 1125422674 /nfs/dbraw/zinc/42/26/74/1125422674.db2.gz PGSPRCVUYYKNCR-KRWDZBQOSA-N 2 1 278.415 3.597 20 0 CHADMP CC(C)[C@H](C[NH2+]C[C@@H]1C[C@H]1c1ccccc1)[NH+]1CCCC1 ZINC000348258466 1125447641 /nfs/dbraw/zinc/44/76/41/1125447641.db2.gz KIYLBFDEKUORBX-FHWLQOOXSA-N 2 1 286.463 3.500 20 0 CHADMP CC[N@H+](CCCCn1cc[nH+]c1C)Cc1cccs1 ZINC000125439860 1125448731 /nfs/dbraw/zinc/44/87/31/1125448731.db2.gz QYPRPJGAAFJGJH-UHFFFAOYSA-N 2 1 277.437 3.555 20 0 CHADMP CC[N@@H+](CCCCn1cc[nH+]c1C)Cc1cccs1 ZINC000125439860 1125448734 /nfs/dbraw/zinc/44/87/34/1125448734.db2.gz QYPRPJGAAFJGJH-UHFFFAOYSA-N 2 1 277.437 3.555 20 0 CHADMP CCCc1ccc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)s1 ZINC000621717900 1129185924 /nfs/dbraw/zinc/18/59/24/1129185924.db2.gz RTBTYTPZSQGGQG-ZIAGYGMSSA-N 2 1 280.481 3.615 20 0 CHADMP CCCc1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000621717900 1129185925 /nfs/dbraw/zinc/18/59/25/1129185925.db2.gz RTBTYTPZSQGGQG-ZIAGYGMSSA-N 2 1 280.481 3.615 20 0 CHADMP CCCc1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000621717900 1129185927 /nfs/dbraw/zinc/18/59/27/1129185927.db2.gz RTBTYTPZSQGGQG-ZIAGYGMSSA-N 2 1 280.481 3.615 20 0 CHADMP CCCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)s1 ZINC000621717900 1129185929 /nfs/dbraw/zinc/18/59/29/1129185929.db2.gz RTBTYTPZSQGGQG-ZIAGYGMSSA-N 2 1 280.481 3.615 20 0 CHADMP CCCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)s1 ZINC000621717900 1129185933 /nfs/dbraw/zinc/18/59/33/1129185933.db2.gz RTBTYTPZSQGGQG-ZIAGYGMSSA-N 2 1 280.481 3.615 20 0 CHADMP CCCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000621717900 1129185937 /nfs/dbraw/zinc/18/59/37/1129185937.db2.gz RTBTYTPZSQGGQG-ZIAGYGMSSA-N 2 1 280.481 3.615 20 0 CHADMP CCCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000621717900 1129185938 /nfs/dbraw/zinc/18/59/38/1129185938.db2.gz RTBTYTPZSQGGQG-ZIAGYGMSSA-N 2 1 280.481 3.615 20 0 CHADMP CCCCCC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164124 1129199685 /nfs/dbraw/zinc/19/96/85/1129199685.db2.gz KRRIDPYFDRGVAW-MGNMYUMUSA-N 2 1 266.473 3.950 20 0 CHADMP CCCCCC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164124 1129199687 /nfs/dbraw/zinc/19/96/87/1129199687.db2.gz KRRIDPYFDRGVAW-MGNMYUMUSA-N 2 1 266.473 3.950 20 0 CHADMP CC[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)CC[NH2+]1 ZINC001246153096 1131358442 /nfs/dbraw/zinc/35/84/42/1131358442.db2.gz LNWUKWQDFNPVBW-UONOGXRCSA-N 2 1 287.234 3.614 20 0 CHADMP CC[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)CC[NH2+]1 ZINC001246153098 1131358592 /nfs/dbraw/zinc/35/85/92/1131358592.db2.gz LNWUKWQDFNPVBW-ZIAGYGMSSA-N 2 1 287.234 3.614 20 0 CHADMP CCc1oc2ccccc2c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000294978437 1129217479 /nfs/dbraw/zinc/21/74/79/1129217479.db2.gz JQCVRZJMKHLFKG-GOOCMWNKSA-N 2 1 298.430 3.710 20 0 CHADMP CCc1oc2ccccc2c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000294978437 1129217481 /nfs/dbraw/zinc/21/74/81/1129217481.db2.gz JQCVRZJMKHLFKG-GOOCMWNKSA-N 2 1 298.430 3.710 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3ncccc23)C[C@@H]1C ZINC000638111125 1129243446 /nfs/dbraw/zinc/24/34/46/1129243446.db2.gz RIYXVLOEGZHUDD-RDJZCZTQSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3ncccc23)C[C@@H]1C ZINC000638111125 1129243449 /nfs/dbraw/zinc/24/34/49/1129243449.db2.gz RIYXVLOEGZHUDD-RDJZCZTQSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3ncccc23)C[C@@H]1C ZINC000638111125 1129243451 /nfs/dbraw/zinc/24/34/51/1129243451.db2.gz RIYXVLOEGZHUDD-RDJZCZTQSA-N 2 1 297.446 3.539 20 0 CHADMP CCc1ccc(C[N@H+](C)CCCCn2cc[nH+]c2C)cc1 ZINC000348054219 1129275381 /nfs/dbraw/zinc/27/53/81/1129275381.db2.gz WXZDEOXGBHBQOE-UHFFFAOYSA-N 2 1 285.435 3.666 20 0 CHADMP CCc1ccc(C[N@@H+](C)CCCCn2cc[nH+]c2C)cc1 ZINC000348054219 1129275384 /nfs/dbraw/zinc/27/53/84/1129275384.db2.gz WXZDEOXGBHBQOE-UHFFFAOYSA-N 2 1 285.435 3.666 20 0 CHADMP Cc1nccn1CCCC[N@H+](C)[C@H](C)c1ccccc1C ZINC000348077793 1129277850 /nfs/dbraw/zinc/27/78/50/1129277850.db2.gz OSDSGMXEYVUEQO-MRXNPFEDSA-N 2 1 285.435 3.973 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](C)c1ccccc1C ZINC000348077793 1129277852 /nfs/dbraw/zinc/27/78/52/1129277852.db2.gz OSDSGMXEYVUEQO-MRXNPFEDSA-N 2 1 285.435 3.973 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](C)c1ccccc1C ZINC000348077793 1129277855 /nfs/dbraw/zinc/27/78/55/1129277855.db2.gz OSDSGMXEYVUEQO-MRXNPFEDSA-N 2 1 285.435 3.973 20 0 CHADMP CC(C)N(CC[C@H]1CCC[N@H+]1C)Cc1ccccc1F ZINC000348088048 1129280154 /nfs/dbraw/zinc/28/01/54/1129280154.db2.gz XHZAXLZEPLXFDD-MRXNPFEDSA-N 2 1 278.415 3.520 20 0 CHADMP CC[N@@H+](CCC[NH2+][C@@H](C)[C@@H]1CC1(F)F)C1CCCCC1 ZINC000639289596 1129299828 /nfs/dbraw/zinc/29/98/28/1129299828.db2.gz BVKBSIDELQSUTG-ZFWWWQNUSA-N 2 1 288.426 3.664 20 0 CHADMP C/C=C\C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639353622 1129304993 /nfs/dbraw/zinc/30/49/93/1129304993.db2.gz VNCJJDTZPABANW-HMDTVDTHSA-N 2 1 270.420 3.520 20 0 CHADMP C/C=C\C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639353622 1129304997 /nfs/dbraw/zinc/30/49/97/1129304997.db2.gz VNCJJDTZPABANW-HMDTVDTHSA-N 2 1 270.420 3.520 20 0 CHADMP C/C=C\C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639353623 1129305713 /nfs/dbraw/zinc/30/57/13/1129305713.db2.gz VNCJJDTZPABANW-IFEGVLKZSA-N 2 1 270.420 3.520 20 0 CHADMP C/C=C\C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639353623 1129305718 /nfs/dbraw/zinc/30/57/18/1129305718.db2.gz VNCJJDTZPABANW-IFEGVLKZSA-N 2 1 270.420 3.520 20 0 CHADMP C[C@@H](Cc1ccsc1)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639375474 1129309074 /nfs/dbraw/zinc/30/90/74/1129309074.db2.gz WHQXPBYPDKXORZ-HNNXBMFYSA-N 2 1 292.492 3.629 20 0 CHADMP CCCCC[C@@H](CC)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001258448734 1129372410 /nfs/dbraw/zinc/37/24/10/1129372410.db2.gz XUCSTRKJKYXXDE-OAHLLOKOSA-N 2 1 252.446 3.515 20 0 CHADMP CC(C)[N@@H+](Cc1cc(C(C)(C)C)c[nH]1)[C@H]1CCC[NH2+]CC1 ZINC001206606135 1129378894 /nfs/dbraw/zinc/37/88/94/1129378894.db2.gz FJAGONDMMVFTMX-KRWDZBQOSA-N 2 1 291.483 3.665 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cc2ccccc2o1 ZINC000643545739 1129445615 /nfs/dbraw/zinc/44/56/15/1129445615.db2.gz BJGYJYFKNRWVMC-ZFWWWQNUSA-N 2 1 284.403 3.758 20 0 CHADMP C[C@@H]1CC2(C[N@H+]1Cc1ccccc1C1CC1)CC[NH2+]CC2 ZINC000643973747 1129455837 /nfs/dbraw/zinc/45/58/37/1129455837.db2.gz BZIBZGZCKWHASX-OAHLLOKOSA-N 2 1 284.447 3.528 20 0 CHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccoc2)[C@@H]1c1cccs1 ZINC000742373966 1129475363 /nfs/dbraw/zinc/47/53/63/1129475363.db2.gz XESJHKUCPKVOSZ-GDBMZVCRSA-N 2 1 290.432 3.514 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccoc2)[C@@H]1c1cccs1 ZINC000742373966 1129475367 /nfs/dbraw/zinc/47/53/67/1129475367.db2.gz XESJHKUCPKVOSZ-GDBMZVCRSA-N 2 1 290.432 3.514 20 0 CHADMP C[N@H+](CC1=CCCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000645810838 1129507511 /nfs/dbraw/zinc/50/75/11/1129507511.db2.gz AWSJZRISWPYRGQ-IBGZPJMESA-N 2 1 284.447 3.551 20 0 CHADMP C[NH+](CC1=CCCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000645810838 1129507512 /nfs/dbraw/zinc/50/75/12/1129507512.db2.gz AWSJZRISWPYRGQ-IBGZPJMESA-N 2 1 284.447 3.551 20 0 CHADMP C[NH+](CC1=CCCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000645810838 1129507514 /nfs/dbraw/zinc/50/75/14/1129507514.db2.gz AWSJZRISWPYRGQ-IBGZPJMESA-N 2 1 284.447 3.551 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000646117955 1129524020 /nfs/dbraw/zinc/52/40/20/1129524020.db2.gz BUEOROLNWVHFFY-RBUKOAKNSA-N 2 1 296.458 3.864 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000646117955 1129524021 /nfs/dbraw/zinc/52/40/21/1129524021.db2.gz BUEOROLNWVHFFY-RBUKOAKNSA-N 2 1 296.458 3.864 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000646117955 1129524024 /nfs/dbraw/zinc/52/40/24/1129524024.db2.gz BUEOROLNWVHFFY-RBUKOAKNSA-N 2 1 296.458 3.864 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000646138314 1129525961 /nfs/dbraw/zinc/52/59/61/1129525961.db2.gz BUHBSHDFKKZCEJ-KRWDZBQOSA-N 2 1 275.440 3.626 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1C1CCC1 ZINC000646138314 1129525963 /nfs/dbraw/zinc/52/59/63/1129525963.db2.gz BUHBSHDFKKZCEJ-KRWDZBQOSA-N 2 1 275.440 3.626 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000647168352 1129553604 /nfs/dbraw/zinc/55/36/04/1129553604.db2.gz RZBMJQCOAPJXQX-CRAIPNDOSA-N 2 1 284.447 3.572 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000647168352 1129553607 /nfs/dbraw/zinc/55/36/07/1129553607.db2.gz RZBMJQCOAPJXQX-CRAIPNDOSA-N 2 1 284.447 3.572 20 0 CHADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647174533 1129554116 /nfs/dbraw/zinc/55/41/16/1129554116.db2.gz DSUOPHWTTBDVAU-CYBMUJFWSA-N 2 1 288.426 3.664 20 0 CHADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647174533 1129554119 /nfs/dbraw/zinc/55/41/19/1129554119.db2.gz DSUOPHWTTBDVAU-CYBMUJFWSA-N 2 1 288.426 3.664 20 0 CHADMP C[C@H]1CCC[C@@](C[NH2+]C2CCC(F)(F)CC2)([NH+](C)C)C1 ZINC000647175123 1129554579 /nfs/dbraw/zinc/55/45/79/1129554579.db2.gz YYRRPAKOSSAHLE-DZGCQCFKSA-N 2 1 288.426 3.664 20 0 CHADMP C[C@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000647248585 1129560326 /nfs/dbraw/zinc/56/03/26/1129560326.db2.gz KKVBBYHDRSQSCH-AITUJVMLSA-N 2 1 286.463 3.500 20 0 CHADMP CC[C@H]1C[N@@H+](Cc2c(C)cc(Cl)cc2C)CC[C@H]1[NH3+] ZINC000647498831 1129579911 /nfs/dbraw/zinc/57/99/11/1129579911.db2.gz RRUZVVMBHDPQMV-XJKSGUPXSA-N 2 1 280.843 3.516 20 0 CHADMP C[C@H](c1ccccc1F)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975936 1129590909 /nfs/dbraw/zinc/59/09/09/1129590909.db2.gz HXFYNQPXXKMWSA-PMPSAXMXSA-N 2 1 290.426 3.598 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000379040217 1129635482 /nfs/dbraw/zinc/63/54/82/1129635482.db2.gz SGJDRBULIWCHER-FUHWJXTLSA-N 2 1 286.463 3.677 20 0 CHADMP CC(C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000380923370 1129641249 /nfs/dbraw/zinc/64/12/49/1129641249.db2.gz ZQBOMZBTDYCGQI-FUHWJXTLSA-N 2 1 274.452 3.533 20 0 CHADMP CC(C)C[C@@H](Cc1ccccc1)[N@@H+](C)C1CCN(C)CC1 ZINC001169070835 1129695684 /nfs/dbraw/zinc/69/56/84/1129695684.db2.gz UKIXRFRRHPPAOP-IBGZPJMESA-N 2 1 288.479 3.670 20 0 CHADMP CCCCCC[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099657 1129696395 /nfs/dbraw/zinc/69/63/95/1129696395.db2.gz DHJGFZQQKTUYAM-YHUYYLMFSA-N 2 1 252.446 3.560 20 0 CHADMP CC(C)[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC001169100725 1129697772 /nfs/dbraw/zinc/69/77/72/1129697772.db2.gz MAMULAUWASPGRH-FJIDUMEYSA-N 2 1 290.426 3.738 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](CC1CC1)c1ccccc1)C2 ZINC001169116322 1129699981 /nfs/dbraw/zinc/69/99/81/1129699981.db2.gz PXQNNQZVWLOROW-FCGDIQPGSA-N 2 1 284.447 3.743 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCCC1CCCCC1)C2 ZINC001169124775 1129701768 /nfs/dbraw/zinc/70/17/68/1129701768.db2.gz SZYBSZPZRLWKDM-NNZMDNLPSA-N 2 1 278.484 3.952 20 0 CHADMP C[C@@H](CC1CCCCC1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108179 1129703575 /nfs/dbraw/zinc/70/35/75/1129703575.db2.gz PBLISBKPFDOIOG-LLLHUVSDSA-N 2 1 264.457 3.560 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1csc3ccccc13)C2 ZINC001169106869 1129703734 /nfs/dbraw/zinc/70/37/34/1129703734.db2.gz APPMBXBTRHFCBA-QDMKHBRRSA-N 2 1 286.444 3.616 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H](c3ccccc3)CC1)C2 ZINC001169144647 1129704231 /nfs/dbraw/zinc/70/42/31/1129704231.db2.gz LIOBXGLKHJMTDK-YSTOQKLRSA-N 2 1 298.474 3.881 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](c3ccccc3)CC1)C2 ZINC001169144647 1129704233 /nfs/dbraw/zinc/70/42/33/1129704233.db2.gz LIOBXGLKHJMTDK-YSTOQKLRSA-N 2 1 298.474 3.881 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H](c3ccccc3)CC1)C2 ZINC001169144647 1129704234 /nfs/dbraw/zinc/70/42/34/1129704234.db2.gz LIOBXGLKHJMTDK-YSTOQKLRSA-N 2 1 298.474 3.881 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169147160 1129704548 /nfs/dbraw/zinc/70/45/48/1129704548.db2.gz SWPRZCMKHLBVHJ-KKBVYLPWSA-N 2 1 292.854 3.958 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169147160 1129704550 /nfs/dbraw/zinc/70/45/50/1129704550.db2.gz SWPRZCMKHLBVHJ-KKBVYLPWSA-N 2 1 292.854 3.958 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169147160 1129704553 /nfs/dbraw/zinc/70/45/53/1129704553.db2.gz SWPRZCMKHLBVHJ-KKBVYLPWSA-N 2 1 292.854 3.958 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](c2cccc(F)c2)C2CCC2)CC1 ZINC001169230345 1129710803 /nfs/dbraw/zinc/71/08/03/1129710803.db2.gz YRVKZSDTUIVDFF-SFHVURJKSA-N 2 1 290.426 3.741 20 0 CHADMP CC[NH+]1CCC([NH2+]C2(c3ccccc3)CCCCC2)CC1 ZINC001169230684 1129710866 /nfs/dbraw/zinc/71/08/66/1129710866.db2.gz HONYTOSQBYKMKG-UHFFFAOYSA-N 2 1 286.463 3.920 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2[C@@H]3CC[C@@H](C3)[C@H]2c2ccccc2)CC1 ZINC001169233876 1129711181 /nfs/dbraw/zinc/71/11/81/1129711181.db2.gz XMWKEADJJURNQR-CUDHKJQZSA-N 2 1 298.474 3.643 20 0 CHADMP CC[NH+]1CCC([N@@H+]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC001169265131 1129711452 /nfs/dbraw/zinc/71/14/52/1129711452.db2.gz NDGBZYLMZNYWHK-SFHVURJKSA-N 2 1 286.463 3.740 20 0 CHADMP CC[NH+]1CCC([N@H+]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC001169265131 1129711454 /nfs/dbraw/zinc/71/14/54/1129711454.db2.gz NDGBZYLMZNYWHK-SFHVURJKSA-N 2 1 286.463 3.740 20 0 CHADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H]2C2CCCCC2)CC1 ZINC001169266195 1129712559 /nfs/dbraw/zinc/71/25/59/1129712559.db2.gz UCYOUPSLGSMGLO-QGZVFWFLSA-N 2 1 264.457 3.515 20 0 CHADMP CC[NH+]1CCC([N@H+]2CCC[C@@H]2C2CCCCC2)CC1 ZINC001169266195 1129712561 /nfs/dbraw/zinc/71/25/61/1129712561.db2.gz UCYOUPSLGSMGLO-QGZVFWFLSA-N 2 1 264.457 3.515 20 0 CHADMP CC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccccc1F ZINC000650754551 1129721414 /nfs/dbraw/zinc/72/14/14/1129721414.db2.gz LMTKSTFBBAVOOC-QGZVFWFLSA-N 2 1 290.357 3.664 20 0 CHADMP Cc1c[nH+]c(NC(C)(C)CC[NH+](C)C)c2ccccc12 ZINC001169712101 1129750210 /nfs/dbraw/zinc/75/02/10/1129750210.db2.gz YBKBRHLFLOLCFU-UHFFFAOYSA-N 2 1 271.408 3.685 20 0 CHADMP CC[N@H+](CCC[NH2+]Cc1cccnc1C)C1CCCCC1 ZINC000651910556 1129750950 /nfs/dbraw/zinc/75/09/50/1129750950.db2.gz YPFHHEZKTDHWMG-UHFFFAOYSA-N 2 1 289.467 3.524 20 0 CHADMP CC[N@@H+](CCC[NH2+]Cc1cccnc1C)C1CCCCC1 ZINC000651910556 1129750952 /nfs/dbraw/zinc/75/09/52/1129750952.db2.gz YPFHHEZKTDHWMG-UHFFFAOYSA-N 2 1 289.467 3.524 20 0 CHADMP Cc1ccccc1C1([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000651975090 1129754827 /nfs/dbraw/zinc/75/48/27/1129754827.db2.gz ZIWAYNZHOYFWTE-IAGOWNOFSA-N 2 1 284.447 3.591 20 0 CHADMP CC(C)[N@@H+](Cc1ccc(Cl)cc1F)C1CCN(C)CC1 ZINC001137661976 1131395915 /nfs/dbraw/zinc/39/59/15/1131395915.db2.gz HKMFYNQQWFZTMJ-UHFFFAOYSA-N 2 1 298.833 3.784 20 0 CHADMP CC(C)N(Cc1ccc(Cl)cc1F)C1CC[NH+](C)CC1 ZINC001137661976 1131395921 /nfs/dbraw/zinc/39/59/21/1131395921.db2.gz HKMFYNQQWFZTMJ-UHFFFAOYSA-N 2 1 298.833 3.784 20 0 CHADMP Cc1c(C)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)ccc1Cl ZINC001206025579 1129765594 /nfs/dbraw/zinc/76/55/94/1129765594.db2.gz OEXJEWWWIHQEKE-DOMZBBRYSA-N 2 1 294.870 3.764 20 0 CHADMP CC(C)c1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC001206025699 1129766549 /nfs/dbraw/zinc/76/65/49/1129766549.db2.gz PDYGLVQJSYWAJP-QAPCUYQASA-N 2 1 274.452 3.617 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(C)(C)C2CC2)C[C@@H]1C ZINC000653564137 1129785102 /nfs/dbraw/zinc/78/51/02/1129785102.db2.gz RBDCBEQDAMYGPM-GOEBONIOSA-N 2 1 266.473 3.617 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000767355793 1129788076 /nfs/dbraw/zinc/78/80/76/1129788076.db2.gz VOUFPRIRDMQFRE-HNNXBMFYSA-N 2 1 283.419 3.591 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000767355793 1129788077 /nfs/dbraw/zinc/78/80/77/1129788077.db2.gz VOUFPRIRDMQFRE-HNNXBMFYSA-N 2 1 283.419 3.591 20 0 CHADMP CCCCCC[C@@H](CC)[NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F ZINC001246221877 1131410442 /nfs/dbraw/zinc/41/04/42/1131410442.db2.gz PAAMIRIIQNWPNF-HUUCEWRRSA-N 2 1 290.442 3.960 20 0 CHADMP CCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)s1 ZINC000903068763 1130107295 /nfs/dbraw/zinc/10/72/95/1130107295.db2.gz MGXZSMGYFFYNOJ-LQDVMPOASA-N 2 1 290.476 3.558 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H](C)c1ccccc1 ZINC000903105823 1130113411 /nfs/dbraw/zinc/11/34/11/1130113411.db2.gz UTDISVOCUJUGRJ-OCTNGKAXSA-N 2 1 298.474 3.926 20 0 CHADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[C@H]3CCC[C@@H]3C1)C2 ZINC000903104104 1130113631 /nfs/dbraw/zinc/11/36/31/1130113631.db2.gz QGFFCESLXQBAFJ-YESPDJNYSA-N 2 1 288.479 3.703 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)CC2 ZINC000903121273 1130115675 /nfs/dbraw/zinc/11/56/75/1130115675.db2.gz UDOCNEPWKGAXJZ-WQHGSSGSSA-N 2 1 296.458 3.730 20 0 CHADMP c1ccc(C2CC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)cc1 ZINC000903118826 1130115928 /nfs/dbraw/zinc/11/59/28/1130115928.db2.gz ZTADDVZXFQVJFX-MUBKNYBQSA-N 2 1 296.458 3.680 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903159209 1130120632 /nfs/dbraw/zinc/12/06/32/1130120632.db2.gz XCHCLWURESMXLH-PETKQJPQSA-N 2 1 276.468 3.703 20 0 CHADMP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(C)(C)C ZINC000903177730 1130125218 /nfs/dbraw/zinc/12/52/18/1130125218.db2.gz AQHNHNVBATWBHQ-CVGRLMLNSA-N 2 1 278.484 3.949 20 0 CHADMP C1CC1[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903193379 1130128308 /nfs/dbraw/zinc/12/83/08/1130128308.db2.gz VUGXDWKJIPOXLP-YKUVJWDPSA-N 2 1 288.479 3.703 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CCC(F)CC1 ZINC000903202545 1130129453 /nfs/dbraw/zinc/12/94/53/1130129453.db2.gz DFBXSQRWBCRMIF-QQOHBXSGSA-N 2 1 294.458 3.651 20 0 CHADMP CCCCCC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000788004058 1130167967 /nfs/dbraw/zinc/16/79/67/1130167967.db2.gz JYOUVGXMAHTIQO-UHFFFAOYSA-N 2 1 276.424 3.814 20 0 CHADMP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903455987 1130179242 /nfs/dbraw/zinc/17/92/42/1130179242.db2.gz AUJVDQZKYYFKTQ-MJBXVCDLSA-N 2 1 295.496 3.695 20 0 CHADMP C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001170085030 1130189006 /nfs/dbraw/zinc/18/90/06/1130189006.db2.gz FHSOIUSORKSOPF-MJGOQNOKSA-N 2 1 286.463 3.946 20 0 CHADMP C[NH+]1CCC(C[N@H+](Cc2ccccc2)CC2CCC2)CC1 ZINC000788479661 1130189084 /nfs/dbraw/zinc/18/90/84/1130189084.db2.gz ZJSVGLFTKWABAJ-UHFFFAOYSA-N 2 1 286.463 3.631 20 0 CHADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2c2ccccc2Cl)CC1 ZINC000788478897 1130189331 /nfs/dbraw/zinc/18/93/31/1130189331.db2.gz KSHRRISQDSNQIT-QGZVFWFLSA-N 2 1 292.854 3.819 20 0 CHADMP Cc1cccc([C@H]2CCC[N@@H+]2CC2CC[NH+](C)CC2)c1C ZINC000788481718 1130190058 /nfs/dbraw/zinc/19/00/58/1130190058.db2.gz RZECWYVEYLYBLX-LJQANCHMSA-N 2 1 286.463 3.782 20 0 CHADMP [NH3+]CC1([C@H]2CCCC[N@H+]2CCCCC(F)(F)F)CCC1 ZINC000903811317 1130200436 /nfs/dbraw/zinc/20/04/36/1130200436.db2.gz KYODMNVXXWAPIZ-CYBMUJFWSA-N 2 1 292.389 3.703 20 0 CHADMP C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCc2ccccc21 ZINC000903876225 1130207028 /nfs/dbraw/zinc/20/70/28/1130207028.db2.gz FYGIPABQGAYQLQ-KTWXZFIHSA-N 2 1 284.447 3.526 20 0 CHADMP c1cc([C@@H]2CCCCC[N@@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)ccn1 ZINC000903873429 1130207674 /nfs/dbraw/zinc/20/76/74/1130207674.db2.gz RBAZIHCMMHYWJP-DQXYTYHJSA-N 2 1 299.462 3.529 20 0 CHADMP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000903886257 1130209089 /nfs/dbraw/zinc/20/90/89/1130209089.db2.gz OFVXZPUBBUZGAM-GJZGRUSLSA-N 2 1 282.378 3.586 20 0 CHADMP [NH3+][C@@H](CC(F)F)C[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000903886257 1130209093 /nfs/dbraw/zinc/20/90/93/1130209093.db2.gz OFVXZPUBBUZGAM-GJZGRUSLSA-N 2 1 282.378 3.586 20 0 CHADMP C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001170092197 1130216937 /nfs/dbraw/zinc/21/69/37/1130216937.db2.gz LZQGZPQKEJLDQS-XCZFOBESSA-N 2 1 298.474 3.960 20 0 CHADMP CCSc1ccccc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206036516 1130247115 /nfs/dbraw/zinc/24/71/15/1130247115.db2.gz KNLFLRHVSVOGQT-LSDHHAIUSA-N 2 1 292.492 3.605 20 0 CHADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CC[C@H](C(C)(C)C)CC2)CC1 ZINC001254505870 1130257082 /nfs/dbraw/zinc/25/70/82/1130257082.db2.gz KGNWZXMBMOORLJ-BZUAXINKSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@@H]1CC[C@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170116318 1130272968 /nfs/dbraw/zinc/27/29/68/1130272968.db2.gz DSKGSWHVLXMHJW-FPCVCCKLSA-N 2 1 266.473 3.793 20 0 CHADMP CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000677238011 1130296642 /nfs/dbraw/zinc/29/66/42/1130296642.db2.gz URMJXYIWZRGOQB-VQHPVUNQSA-N 2 1 264.457 3.562 20 0 CHADMP c1ccc2c(c1)cccc2CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000677237046 1130296984 /nfs/dbraw/zinc/29/69/84/1130296984.db2.gz ZFSMNINRYARVEO-RBUKOAKNSA-N 2 1 294.442 3.599 20 0 CHADMP C[C@@H]1CC[C@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001170138959 1130317353 /nfs/dbraw/zinc/31/73/53/1130317353.db2.gz SBMWIPIMFJFFFE-WBVHZDCISA-N 2 1 276.468 3.515 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCc2ccccc2[C@H]1C(C)C ZINC000677820090 1130333112 /nfs/dbraw/zinc/33/31/12/1130333112.db2.gz GDAUGICXPFMQKO-LJQANCHMSA-N 2 1 297.446 3.837 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCc2ccccc2[C@H]1C(C)C ZINC000677820090 1130333118 /nfs/dbraw/zinc/33/31/18/1130333118.db2.gz GDAUGICXPFMQKO-LJQANCHMSA-N 2 1 297.446 3.837 20 0 CHADMP CCC[NH+]1CCC([N@H+](C)Cc2nccc3ccccc32)CC1 ZINC000678194788 1130369334 /nfs/dbraw/zinc/36/93/34/1130369334.db2.gz WNNOICKBUOSISG-UHFFFAOYSA-N 2 1 297.446 3.541 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)Cc2nccc3ccccc32)CC1 ZINC000678194788 1130369340 /nfs/dbraw/zinc/36/93/40/1130369340.db2.gz WNNOICKBUOSISG-UHFFFAOYSA-N 2 1 297.446 3.541 20 0 CHADMP CC[N@H+]1CC[C@@H](N(C)Cc2nccc3ccccc32)C[C@H]1C ZINC000678277349 1130388772 /nfs/dbraw/zinc/38/87/72/1130388772.db2.gz SSYVBSDOHUPUDJ-NVXWUHKLSA-N 2 1 297.446 3.539 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nccc3ccccc32)C[C@H]1C ZINC000678277349 1130388777 /nfs/dbraw/zinc/38/87/77/1130388777.db2.gz SSYVBSDOHUPUDJ-NVXWUHKLSA-N 2 1 297.446 3.539 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nccc3ccccc32)C[C@H]1C ZINC000678277349 1130388783 /nfs/dbraw/zinc/38/87/83/1130388783.db2.gz SSYVBSDOHUPUDJ-NVXWUHKLSA-N 2 1 297.446 3.539 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2C2CC2)C[C@@H]1C ZINC000678276397 1130388988 /nfs/dbraw/zinc/38/89/88/1130388988.db2.gz HOHWEQGQBLSVDH-MAUKXSAKSA-N 2 1 286.463 3.869 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2C2CC2)C[C@@H]1C ZINC000678276397 1130388995 /nfs/dbraw/zinc/38/89/95/1130388995.db2.gz HOHWEQGQBLSVDH-MAUKXSAKSA-N 2 1 286.463 3.869 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2C2CC2)C[C@@H]1C ZINC000678276397 1130389000 /nfs/dbraw/zinc/38/90/00/1130389000.db2.gz HOHWEQGQBLSVDH-MAUKXSAKSA-N 2 1 286.463 3.869 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2C2CC2)C[C@@H]1C ZINC000678276399 1130389134 /nfs/dbraw/zinc/38/91/34/1130389134.db2.gz HOHWEQGQBLSVDH-YJBOKZPZSA-N 2 1 286.463 3.869 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2C2CC2)C[C@@H]1C ZINC000678276399 1130389139 /nfs/dbraw/zinc/38/91/39/1130389139.db2.gz HOHWEQGQBLSVDH-YJBOKZPZSA-N 2 1 286.463 3.869 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2C2CC2)C[C@@H]1C ZINC000678276399 1130389146 /nfs/dbraw/zinc/38/91/46/1130389146.db2.gz HOHWEQGQBLSVDH-YJBOKZPZSA-N 2 1 286.463 3.869 20 0 CHADMP C[C@H]1CC[C@@H]([N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)C1 ZINC001170160518 1130415129 /nfs/dbraw/zinc/41/51/29/1130415129.db2.gz IGRTWJDYNLDLDX-MAUKXSAKSA-N 2 1 278.484 3.904 20 0 CHADMP CC(C)c1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000678580366 1130431329 /nfs/dbraw/zinc/43/13/29/1130431329.db2.gz AAERCHQOVLGVDY-RBUKOAKNSA-N 2 1 286.463 3.569 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1c2ccccc2CC[C@@H]1C ZINC000678769590 1130451867 /nfs/dbraw/zinc/45/18/67/1130451867.db2.gz WPOVYRBWZYQUSQ-VCBZYWHSSA-N 2 1 297.446 3.741 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CC(C)(C)c2ccccc2)C[C@@H]1C ZINC000678832541 1130462660 /nfs/dbraw/zinc/46/26/60/1130462660.db2.gz GCWPKRICWGAFNP-WMZOPIPTSA-N 2 1 288.479 3.769 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CC(C)(C)c2ccccc2)C[C@@H]1C ZINC000678832541 1130462662 /nfs/dbraw/zinc/46/26/62/1130462662.db2.gz GCWPKRICWGAFNP-WMZOPIPTSA-N 2 1 288.479 3.769 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CC(C)(C)c2ccccc2)C[C@@H]1C ZINC000678832541 1130462663 /nfs/dbraw/zinc/46/26/63/1130462663.db2.gz GCWPKRICWGAFNP-WMZOPIPTSA-N 2 1 288.479 3.769 20 0 CHADMP C[C@H](Cc1ccccc1Cl)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001170250003 1130472389 /nfs/dbraw/zinc/47/23/89/1130472389.db2.gz FZKQMLXDYTWZQF-HUUCEWRRSA-N 2 1 294.870 3.593 20 0 CHADMP Cc1cccc(C2([NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)CCCC2)c1 ZINC000679127507 1130495822 /nfs/dbraw/zinc/49/58/22/1130495822.db2.gz CWTRGXLKANFWLR-FUHWJXTLSA-N 2 1 286.463 3.837 20 0 CHADMP Cc1cccc(C2([NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)CCCC2)c1 ZINC000679127507 1130495824 /nfs/dbraw/zinc/49/58/24/1130495824.db2.gz CWTRGXLKANFWLR-FUHWJXTLSA-N 2 1 286.463 3.837 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCCC2CC2)C3)cc1 ZINC000679395671 1130527024 /nfs/dbraw/zinc/52/70/24/1130527024.db2.gz ZXXGJXQZNQMQSS-OWZKRDHZSA-N 2 1 298.474 3.962 20 0 CHADMP CC1=C[C@H](C)[C@H](C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)CC1 ZINC001206580569 1130537342 /nfs/dbraw/zinc/53/73/42/1130537342.db2.gz FCJDFVADZOZECY-OKZBNKHCSA-N 2 1 278.484 3.831 20 0 CHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1C1CC[NH+](C(C)(C)C)CC1 ZINC001256568678 1130676959 /nfs/dbraw/zinc/67/69/59/1130676959.db2.gz AWXROLLVZPUDPO-OKILXGFUSA-N 2 1 252.446 3.512 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001234997678 1130700163 /nfs/dbraw/zinc/70/01/63/1130700163.db2.gz DJUJVGCXTUHVFR-KRWDZBQOSA-N 2 1 292.854 3.532 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001234997678 1130700164 /nfs/dbraw/zinc/70/01/64/1130700164.db2.gz DJUJVGCXTUHVFR-KRWDZBQOSA-N 2 1 292.854 3.532 20 0 CHADMP c1cc(-c2cccc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)c2)cs1 ZINC001235034116 1130701947 /nfs/dbraw/zinc/70/19/47/1130701947.db2.gz VJWCSIDAVCMRJD-GOSISDBHSA-N 2 1 298.455 3.601 20 0 CHADMP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235041364 1130704326 /nfs/dbraw/zinc/70/43/26/1130704326.db2.gz ZOTLGQMQBYXFER-QGZVFWFLSA-N 2 1 292.854 3.757 20 0 CHADMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235041364 1130704330 /nfs/dbraw/zinc/70/43/30/1130704330.db2.gz ZOTLGQMQBYXFER-QGZVFWFLSA-N 2 1 292.854 3.757 20 0 CHADMP C(CC1CCCCC1)C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235038332 1130704798 /nfs/dbraw/zinc/70/47/98/1130704798.db2.gz GVGPMZPAPOJMJU-SFHVURJKSA-N 2 1 278.484 3.955 20 0 CHADMP c1cc2cccc(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)CC3)c2o1 ZINC001235041000 1130705620 /nfs/dbraw/zinc/70/56/20/1130705620.db2.gz WBRPXHKMKZMAJW-SFHVURJKSA-N 2 1 284.403 3.541 20 0 CHADMP CCCc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1 ZINC001235048474 1130706599 /nfs/dbraw/zinc/70/65/99/1130706599.db2.gz YGLIZOCQESRFLI-IBGZPJMESA-N 2 1 286.463 3.747 20 0 CHADMP CC(C)=CCCC1=CC[C@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001235073468 1130708482 /nfs/dbraw/zinc/70/84/82/1130708482.db2.gz QRJIGPPPZLRPOK-IPMKNSEASA-N 2 1 288.479 3.896 20 0 CHADMP CC(C)=CCCC1=CC[C@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001235073468 1130708486 /nfs/dbraw/zinc/70/84/86/1130708486.db2.gz QRJIGPPPZLRPOK-IPMKNSEASA-N 2 1 288.479 3.896 20 0 CHADMP CCCC[C@@H](CC)C[N@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001235088677 1130708727 /nfs/dbraw/zinc/70/87/27/1130708727.db2.gz NVTUULMDHYCLDD-CABCVRRESA-N 2 1 288.426 3.524 20 0 CHADMP Cc1cc(C[N@@H+]2CCCC23CC[NH2+]CC3)cc(C)c1Cl ZINC001235145202 1130714535 /nfs/dbraw/zinc/71/45/35/1130714535.db2.gz QEVQTYIVYOWRBK-UHFFFAOYSA-N 2 1 292.854 3.675 20 0 CHADMP Cc1cc(C[N@H+]2CCCC23CC[NH2+]CC3)cc(C)c1Cl ZINC001235145202 1130714539 /nfs/dbraw/zinc/71/45/39/1130714539.db2.gz QEVQTYIVYOWRBK-UHFFFAOYSA-N 2 1 292.854 3.675 20 0 CHADMP c1ccc(C2CC2)c(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)c1 ZINC001235167301 1130715821 /nfs/dbraw/zinc/71/58/21/1130715821.db2.gz HQZQUCBOGJLBRW-LJQANCHMSA-N 2 1 284.447 3.672 20 0 CHADMP c1ccc(C2CC2)c(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)c1 ZINC001235167301 1130715825 /nfs/dbraw/zinc/71/58/25/1130715825.db2.gz HQZQUCBOGJLBRW-LJQANCHMSA-N 2 1 284.447 3.672 20 0 CHADMP Clc1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cs1 ZINC001235157716 1130716129 /nfs/dbraw/zinc/71/61/29/1130716129.db2.gz KLFUTCJROYXXDK-AWEZNQCLSA-N 2 1 298.883 3.756 20 0 CHADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)CC1 ZINC001235171267 1130717800 /nfs/dbraw/zinc/71/78/00/1130717800.db2.gz IHKLNJCNUVTFIK-BZSNNMDCSA-N 2 1 276.468 3.587 20 0 CHADMP CC(C)c1ccccc1C[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235181056 1130719132 /nfs/dbraw/zinc/71/91/32/1130719132.db2.gz XJTLSCXQQZNTGH-LJQANCHMSA-N 2 1 286.463 3.918 20 0 CHADMP CC(C)c1ccccc1C[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235181056 1130719138 /nfs/dbraw/zinc/71/91/38/1130719138.db2.gz XJTLSCXQQZNTGH-LJQANCHMSA-N 2 1 286.463 3.918 20 0 CHADMP c1csc(-c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2)c1 ZINC001235264730 1130728710 /nfs/dbraw/zinc/72/87/10/1130728710.db2.gz ARTXYZHMOQTARL-SJORKVTESA-N 2 1 298.455 3.599 20 0 CHADMP c1cc(C2CCCCC2)ccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235264971 1130729730 /nfs/dbraw/zinc/72/97/30/1130729730.db2.gz RZPBJXHTPKLIEM-VQTJNVASSA-N 2 1 298.474 3.918 20 0 CHADMP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc2c3ccccc3oc21 ZINC001235256932 1130730393 /nfs/dbraw/zinc/73/03/93/1130730393.db2.gz UUDXEVHHLWYESQ-ZQIUZPCESA-N 2 1 292.382 3.508 20 0 CHADMP c1ccc(-c2ccccc2C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC001235273398 1130730822 /nfs/dbraw/zinc/73/08/22/1130730822.db2.gz SEMFHSQQSLAURT-AZUAARDMSA-N 2 1 292.426 3.537 20 0 CHADMP CC(C)CCC[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235349663 1130734937 /nfs/dbraw/zinc/73/49/37/1130734937.db2.gz STYQNXMSIDCMBQ-RTBURBONSA-N 2 1 286.463 3.502 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001235396697 1130738763 /nfs/dbraw/zinc/73/87/63/1130738763.db2.gz KWZYQKWINMYWES-NMBNSIPYSA-N 2 1 296.474 3.912 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@@H+]1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001235394181 1130738972 /nfs/dbraw/zinc/73/89/72/1130738972.db2.gz CGCNPCAEQCBWHE-BBWFWOEESA-N 2 1 296.474 3.768 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235403556 1130739578 /nfs/dbraw/zinc/73/95/78/1130739578.db2.gz LALPFNBYJQMTAC-GUDHTMSVSA-N 2 1 296.474 3.927 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)sc1C ZINC001235428685 1130741980 /nfs/dbraw/zinc/74/19/80/1130741980.db2.gz RBXHQTZEEGRNTF-JKSUJKDBSA-N 2 1 292.492 3.577 20 0 CHADMP C[C@H](C[N@@H+](C)CC1CC[NH2+]CC1)c1cccc2ccccc21 ZINC001235433661 1130742944 /nfs/dbraw/zinc/74/29/44/1130742944.db2.gz TXIFOPMKBHQVBA-MRXNPFEDSA-N 2 1 296.458 3.875 20 0 CHADMP Cc1ccccc1[C@H]1CCC[N@H+]1CC[C@H]1CCCC[NH2+]1 ZINC001235446279 1130745260 /nfs/dbraw/zinc/74/52/60/1130745260.db2.gz XNNXGZJPYGALAC-SJLPKXTDSA-N 2 1 272.436 3.664 20 0 CHADMP Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)C[NH2+]C2 ZINC001235443379 1130745971 /nfs/dbraw/zinc/74/59/71/1130745971.db2.gz NAROENKMYGANTP-FQEVSTJZSA-N 2 1 292.426 3.935 20 0 CHADMP C[C@H](C1CC1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000782184032 1130759075 /nfs/dbraw/zinc/75/90/75/1130759075.db2.gz PZIGHJOUQHZSPU-MRXNPFEDSA-N 2 1 286.463 3.629 20 0 CHADMP CCCC[N@@H+](CCC)Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001235663684 1130762432 /nfs/dbraw/zinc/76/24/32/1130762432.db2.gz SFNIRFKYOVDOFE-UHFFFAOYSA-N 2 1 299.462 3.757 20 0 CHADMP CC1(C[N@H+]2CCCC[C@H]2c2ccccc2F)CC[NH2+]CC1 ZINC001235676560 1130765567 /nfs/dbraw/zinc/76/55/67/1130765567.db2.gz AWNOSGNPIBVBKU-KRWDZBQOSA-N 2 1 290.426 3.742 20 0 CHADMP C[C@H](C[N@H+]1CCC[C@H](C[NH3+])C1)c1cccc2ccccc21 ZINC001235675322 1130766576 /nfs/dbraw/zinc/76/65/76/1130766576.db2.gz VQKGUASDKMXFAQ-HZPDHXFCSA-N 2 1 282.431 3.614 20 0 CHADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]C2)C12CC3CC(CC(C3)C1)C2 ZINC001235691827 1130770347 /nfs/dbraw/zinc/77/03/47/1130770347.db2.gz UXQOMYMNTKFLLL-UHFFFAOYSA-N 2 1 296.458 3.690 20 0 CHADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(C(C)(C)C)cc1 ZINC001235712351 1130771060 /nfs/dbraw/zinc/77/10/60/1130771060.db2.gz AQIJEEWDUMBXJM-UHFFFAOYSA-N 2 1 288.479 3.806 20 0 CHADMP C[NH2+]C1CC[NH+](Cc2ccc3oc4ccccc4c3c2)CC1 ZINC001235789371 1130780766 /nfs/dbraw/zinc/78/07/66/1130780766.db2.gz PZXFFUNCQLLKLD-UHFFFAOYSA-N 2 1 294.398 3.770 20 0 CHADMP CC/C=C\CCCCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC001235809814 1130782287 /nfs/dbraw/zinc/78/22/87/1130782287.db2.gz JZFPZLVMCQSTJL-HKMHDUOASA-N 2 1 264.457 3.857 20 0 CHADMP Cc1c(C)c(C)c(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)c(C)c1C ZINC001235811509 1130782364 /nfs/dbraw/zinc/78/23/64/1130782364.db2.gz RKFXLOJOGCLYGE-BCDXTJNWSA-N 2 1 286.463 3.683 20 0 CHADMP [NH3+]CCCC[N@H+]1CC[C@@H](c2cccc(Cl)c2Cl)C1 ZINC001235885736 1130793535 /nfs/dbraw/zinc/79/35/35/1130793535.db2.gz XGCHPCVCDSFSBQ-LLVKDONJSA-N 2 1 287.234 3.522 20 0 CHADMP CC1(C)[C@@H]2C[C@@H]([NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001170715380 1130795920 /nfs/dbraw/zinc/79/59/20/1130795920.db2.gz GZPYSHJIYVZGBC-CADBVGFASA-N 2 1 298.474 3.533 20 0 CHADMP CC(C)=CCCC1=CC[C@H](C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)C2)CC1 ZINC001235910047 1130804686 /nfs/dbraw/zinc/80/46/86/1130804686.db2.gz PJNDULSKWYCLEV-OKZBNKHCSA-N 2 1 294.458 3.830 20 0 CHADMP CC(C)=CCCC1=CC[C@H](C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)C2)CC1 ZINC001235910047 1130804690 /nfs/dbraw/zinc/80/46/90/1130804690.db2.gz PJNDULSKWYCLEV-OKZBNKHCSA-N 2 1 294.458 3.830 20 0 CHADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccccc1-c1cccs1 ZINC001235925267 1130806545 /nfs/dbraw/zinc/80/65/45/1130806545.db2.gz OFTJOKPZYRCQDH-HNNXBMFYSA-N 2 1 286.444 3.728 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000783244028 1130806791 /nfs/dbraw/zinc/80/67/91/1130806791.db2.gz RJQZFVFOAAQQBE-ORIJERBGSA-N 2 1 278.465 3.519 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000783244028 1130806798 /nfs/dbraw/zinc/80/67/98/1130806798.db2.gz RJQZFVFOAAQQBE-ORIJERBGSA-N 2 1 278.465 3.519 20 0 CHADMP CC(C)c1cc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)ccc1Cl ZINC001235933953 1130809494 /nfs/dbraw/zinc/80/94/94/1130809494.db2.gz ANAMOFCFVLQOLN-HUUCEWRRSA-N 2 1 292.854 3.505 20 0 CHADMP CC(C)c1cc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)ccc1Cl ZINC001235933953 1130809497 /nfs/dbraw/zinc/80/94/97/1130809497.db2.gz ANAMOFCFVLQOLN-HUUCEWRRSA-N 2 1 292.854 3.505 20 0 CHADMP c1cc(C2CCCCC2)ccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235934777 1130811569 /nfs/dbraw/zinc/81/15/69/1130811569.db2.gz ALEYGGSCMXRREM-PMACEKPBSA-N 2 1 298.474 3.776 20 0 CHADMP CC(C)[N@H+](CC[NH3+])Cc1ccccc1-c1ccc(F)cc1 ZINC001235948074 1130812854 /nfs/dbraw/zinc/81/28/54/1130812854.db2.gz RYGWQBALTZVCGQ-UHFFFAOYSA-N 2 1 286.394 3.662 20 0 CHADMP CC(C)[N@@H+](CC[NH3+])Cc1ccccc1-c1ccc(F)cc1 ZINC001235948074 1130812860 /nfs/dbraw/zinc/81/28/60/1130812860.db2.gz RYGWQBALTZVCGQ-UHFFFAOYSA-N 2 1 286.394 3.662 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+](CC[NH3+])C(C)C ZINC001235946884 1130813590 /nfs/dbraw/zinc/81/35/90/1130813590.db2.gz AWQGIRUQQFLRGU-UHFFFAOYSA-N 2 1 282.431 3.831 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+](CC[NH3+])C(C)C ZINC001235946884 1130813595 /nfs/dbraw/zinc/81/35/95/1130813595.db2.gz AWQGIRUQQFLRGU-UHFFFAOYSA-N 2 1 282.431 3.831 20 0 CHADMP Clc1cccc2c1CC[N@H+](Cc1ccc3c(c1)C[NH2+]C3)C2 ZINC001235949504 1130813822 /nfs/dbraw/zinc/81/38/22/1130813822.db2.gz MWLQRMSAMNGNAL-UHFFFAOYSA-N 2 1 298.817 3.502 20 0 CHADMP Clc1cccc2c1CC[N@@H+](Cc1ccc3c(c1)C[NH2+]C3)C2 ZINC001235949504 1130813827 /nfs/dbraw/zinc/81/38/27/1130813827.db2.gz MWLQRMSAMNGNAL-UHFFFAOYSA-N 2 1 298.817 3.502 20 0 CHADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1-c1ccccc1)C2 ZINC001235959668 1130816661 /nfs/dbraw/zinc/81/66/61/1130816661.db2.gz MMBYPDZXXYEYAZ-OPVJXMOQSA-N 2 1 292.426 3.523 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+](C)C[C@H]3CCC[NH2+]C3)cc2)o1 ZINC001235956709 1130817315 /nfs/dbraw/zinc/81/73/15/1130817315.db2.gz GEWPAZMTDRBNOU-KRWDZBQOSA-N 2 1 298.430 3.686 20 0 CHADMP CC/C=C\CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235959993 1130817445 /nfs/dbraw/zinc/81/74/45/1130817445.db2.gz RDLLYUVJCYVINC-HKMHDUOASA-N 2 1 264.457 3.572 20 0 CHADMP CCC(C)(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1 ZINC001235960100 1130817628 /nfs/dbraw/zinc/81/76/28/1130817628.db2.gz PLZRTRRQZOAPHB-ALXJQNPVSA-N 2 1 286.463 3.543 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+](C)Cc1cccc(C[NH3+])c1 ZINC001235960971 1130818172 /nfs/dbraw/zinc/81/81/72/1130818172.db2.gz ZWPBZIVGIOKRMD-GOSISDBHSA-N 2 1 268.404 3.728 20 0 CHADMP CC[C@H]1CO[C@@](C)(CCC(C)C)[N@H+]1CCC12CC([NH3+])(C1)C2 ZINC001235962556 1130818703 /nfs/dbraw/zinc/81/87/03/1130818703.db2.gz MRANZFBWEXNNSX-VYMRPNJYSA-N 2 1 294.483 3.521 20 0 CHADMP CC1(C[N@H+]2CCC[C@H](c3ccccc3)CC2)CC[NH2+]CC1 ZINC001235960582 1130819149 /nfs/dbraw/zinc/81/91/49/1130819149.db2.gz ULBSHNNVIROJEY-SFHVURJKSA-N 2 1 286.463 3.646 20 0 CHADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc(-c3cccs3)cc1)C2 ZINC001235960749 1130819178 /nfs/dbraw/zinc/81/91/78/1130819178.db2.gz YMJOMYRVBIWEML-ALXJQNPVSA-N 2 1 298.455 3.584 20 0 CHADMP CC[N@H+](Cc1ccc(C)c2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC001236004102 1130828355 /nfs/dbraw/zinc/82/83/55/1130828355.db2.gz CTHNQYSYEBAROU-QGZVFWFLSA-N 2 1 282.431 3.722 20 0 CHADMP CC[N@@H+](Cc1ccc(C)c2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC001236004102 1130828364 /nfs/dbraw/zinc/82/83/64/1130828364.db2.gz CTHNQYSYEBAROU-QGZVFWFLSA-N 2 1 282.431 3.722 20 0 CHADMP CC[N@H+](Cc1ccc(C)c2ccccc12)[C@H]1CCC[NH2+]C1 ZINC001236004101 1130829658 /nfs/dbraw/zinc/82/96/58/1130829658.db2.gz CTHNQYSYEBAROU-KRWDZBQOSA-N 2 1 282.431 3.722 20 0 CHADMP CC[N@@H+](Cc1ccc(C)c2ccccc12)[C@H]1CCC[NH2+]C1 ZINC001236004101 1130829668 /nfs/dbraw/zinc/82/96/68/1130829668.db2.gz CTHNQYSYEBAROU-KRWDZBQOSA-N 2 1 282.431 3.722 20 0 CHADMP C[N@@H+](CCC12CC([NH3+])(C1)C2)C1CCC(C(C)(C)C)CC1 ZINC001236008540 1130832732 /nfs/dbraw/zinc/83/27/32/1130832732.db2.gz MCDJBXCXOJTEAA-UHFFFAOYSA-N 2 1 278.484 3.795 20 0 CHADMP C[C@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001236046303 1130837972 /nfs/dbraw/zinc/83/79/72/1130837972.db2.gz FTORODIOWAPEJC-IFXJQAMLSA-N 2 1 298.405 3.662 20 0 CHADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001236046303 1130837975 /nfs/dbraw/zinc/83/79/75/1130837975.db2.gz FTORODIOWAPEJC-IFXJQAMLSA-N 2 1 298.405 3.662 20 0 CHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC001236068908 1130847772 /nfs/dbraw/zinc/84/77/72/1130847772.db2.gz YQVQBFNOSYNXLX-AWEZNQCLSA-N 2 1 294.398 3.627 20 0 CHADMP C[C@H]1C[N@@H+](Cc2c3ccccc3[nH]c2C(C)(C)C)CCC[NH2+]1 ZINC001236095781 1130860115 /nfs/dbraw/zinc/86/01/15/1130860115.db2.gz YRIIPJVVPPDWKJ-AWEZNQCLSA-N 2 1 299.462 3.649 20 0 CHADMP C[C@H]1C[N@H+](Cc2ccccc2-c2cccs2)CCC[NH2+]1 ZINC001236095228 1130860145 /nfs/dbraw/zinc/86/01/45/1130860145.db2.gz OZOXUCOVIVOURM-AWEZNQCLSA-N 2 1 286.444 3.599 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2-c2cccs2)CCC[NH2+]1 ZINC001236095228 1130860151 /nfs/dbraw/zinc/86/01/51/1130860151.db2.gz OZOXUCOVIVOURM-AWEZNQCLSA-N 2 1 286.444 3.599 20 0 CHADMP Cc1cc(C[N@@H+](C)CCCC[NH3+])ccc1Oc1ccccc1 ZINC001236141444 1130873361 /nfs/dbraw/zinc/87/33/61/1130873361.db2.gz GKFMREOPVJTUCN-UHFFFAOYSA-N 2 1 298.430 3.958 20 0 CHADMP C[N@@H+](CCCC[NH3+])Cc1cccc(-c2ccccc2)c1 ZINC001236141976 1130873661 /nfs/dbraw/zinc/87/36/61/1130873661.db2.gz PXEMVZZQKOOEFZ-UHFFFAOYSA-N 2 1 268.404 3.524 20 0 CHADMP C[N@@H+](CCCC[NH3+])Cc1sccc1Oc1ccccc1 ZINC001236142387 1130873787 /nfs/dbraw/zinc/87/37/87/1130873787.db2.gz WVTGXAZCOXYTHY-UHFFFAOYSA-N 2 1 290.432 3.711 20 0 CHADMP C[N@@H+](CCCC[NH3+])Cc1ccc(-c2ccccc2Cl)o1 ZINC001236141961 1130874685 /nfs/dbraw/zinc/87/46/85/1130874685.db2.gz POSARIPKCLCCHM-UHFFFAOYSA-N 2 1 292.810 3.771 20 0 CHADMP CC[N@H+](CC[NH3+])Cc1ccccc1-c1ccccc1Cl ZINC001236143029 1130875767 /nfs/dbraw/zinc/87/57/67/1130875767.db2.gz DNRFIKGMIBCXFP-UHFFFAOYSA-N 2 1 288.822 3.788 20 0 CHADMP CC[N@@H+](CC[NH3+])Cc1ccccc1-c1ccccc1Cl ZINC001236143029 1130875774 /nfs/dbraw/zinc/87/57/74/1130875774.db2.gz DNRFIKGMIBCXFP-UHFFFAOYSA-N 2 1 288.822 3.788 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236207174 1130885742 /nfs/dbraw/zinc/88/57/42/1130885742.db2.gz MTRLXFSJKVKELB-IBGZPJMESA-N 2 1 282.431 3.722 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236207174 1130885748 /nfs/dbraw/zinc/88/57/48/1130885748.db2.gz MTRLXFSJKVKELB-IBGZPJMESA-N 2 1 282.431 3.722 20 0 CHADMP C[N@H+](Cc1c[nH]c2c1cccc2Cl)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236214731 1130890657 /nfs/dbraw/zinc/89/06/57/1130890657.db2.gz DWSNVQLURBLEJU-LSDHHAIUSA-N 2 1 291.826 3.523 20 0 CHADMP C[N@@H+](Cc1c[nH]c2c1cccc2Cl)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236214731 1130890664 /nfs/dbraw/zinc/89/06/64/1130890664.db2.gz DWSNVQLURBLEJU-LSDHHAIUSA-N 2 1 291.826 3.523 20 0 CHADMP CCn1ccc2ccc(C[N@@H+](C)C3CCC([NH2+]C)CC3)cc21 ZINC001236212148 1130891663 /nfs/dbraw/zinc/89/16/63/1130891663.db2.gz FJKZHLOUZGJCIV-UHFFFAOYSA-N 2 1 299.462 3.624 20 0 CHADMP C[N@H+](Cc1c[nH]c2cc(Cl)ccc12)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217389 1130892786 /nfs/dbraw/zinc/89/27/86/1130892786.db2.gz OUSOCJBSSISPIC-GDBMZVCRSA-N 2 1 291.826 3.523 20 0 CHADMP C[N@@H+](Cc1c[nH]c2cc(Cl)ccc12)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217389 1130892793 /nfs/dbraw/zinc/89/27/93/1130892793.db2.gz OUSOCJBSSISPIC-GDBMZVCRSA-N 2 1 291.826 3.523 20 0 CHADMP CC(C)c1ccccc1C[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219144 1130894199 /nfs/dbraw/zinc/89/41/99/1130894199.db2.gz VCKDPIIMHRAOEP-IAGOWNOFSA-N 2 1 260.425 3.512 20 0 CHADMP CC(C)c1ccccc1C[N@@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219144 1130894203 /nfs/dbraw/zinc/89/42/03/1130894203.db2.gz VCKDPIIMHRAOEP-IAGOWNOFSA-N 2 1 260.425 3.512 20 0 CHADMP Cc1c(C)c(C)c(C[N@H+](C)C2(C)CC[NH2+]CC2)c(C)c1C ZINC001236226855 1130896388 /nfs/dbraw/zinc/89/63/88/1130896388.db2.gz VGNPMUSYRKCTLZ-UHFFFAOYSA-N 2 1 288.479 3.803 20 0 CHADMP CCCCCC[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236287369 1130911366 /nfs/dbraw/zinc/91/13/66/1130911366.db2.gz SIGMLFJKPKWCOI-UHFFFAOYSA-N 2 1 274.452 3.821 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170768262 1130921980 /nfs/dbraw/zinc/92/19/80/1130921980.db2.gz VYJUQMKGYIUILX-OSYLJGHBSA-N 2 1 278.484 3.617 20 0 CHADMP CC[N@H+](Cc1ccc(C(C)(C)CC)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236407410 1130931051 /nfs/dbraw/zinc/93/10/51/1130931051.db2.gz FAHAZOAMARSDSK-QGZVFWFLSA-N 2 1 288.479 3.806 20 0 CHADMP CC[N@@H+](C[C@@H](C)c1cccc2ccccc21)C[C@H]1CC[NH2+]C1 ZINC001236408325 1130931467 /nfs/dbraw/zinc/93/14/67/1130931467.db2.gz NOWKOCZUYNIQKA-SJORKVTESA-N 2 1 296.458 3.875 20 0 CHADMP Cc1c(C)c(C)c(C[N@H+]2CCC[C@@H]([NH3+])[C@@H]2C)c(C)c1C ZINC001236421397 1130935935 /nfs/dbraw/zinc/93/59/35/1130935935.db2.gz QRRJPLBXVFBYAG-FUHWJXTLSA-N 2 1 274.452 3.540 20 0 CHADMP Cc1c(C)c(C)c(C[N@@H+]2CCC[C@@H]([NH3+])[C@@H]2C)c(C)c1C ZINC001236421397 1130935940 /nfs/dbraw/zinc/93/59/40/1130935940.db2.gz QRRJPLBXVFBYAG-FUHWJXTLSA-N 2 1 274.452 3.540 20 0 CHADMP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001236421375 1130936033 /nfs/dbraw/zinc/93/60/33/1130936033.db2.gz QJVFUBHVVXNQDS-LIRRHRJNSA-N 2 1 298.405 3.804 20 0 CHADMP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001236421375 1130936037 /nfs/dbraw/zinc/93/60/37/1130936037.db2.gz QJVFUBHVVXNQDS-LIRRHRJNSA-N 2 1 298.405 3.804 20 0 CHADMP CCC[C@@H](C)C[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236454244 1130947059 /nfs/dbraw/zinc/94/70/59/1130947059.db2.gz IZHFKEOTGRXLCX-CQSZACIVSA-N 2 1 254.462 3.523 20 0 CHADMP Cc1cccc(C[N@@H+](CCCCCC[NH3+])C2CC2)c1C ZINC001236534071 1130967618 /nfs/dbraw/zinc/96/76/18/1130967618.db2.gz GMECJGVWBBAXHV-UHFFFAOYSA-N 2 1 274.452 3.787 20 0 CHADMP Cc1cc(C[N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)cs1 ZINC001236542209 1130968811 /nfs/dbraw/zinc/96/88/11/1130968811.db2.gz AOMGHDIRWPAWCG-QAQDUYKDSA-N 2 1 292.492 3.929 20 0 CHADMP CCC[C@H](C)C[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236542524 1130969220 /nfs/dbraw/zinc/96/92/20/1130969220.db2.gz YEJALECKOGPBDK-XIRDDKMYSA-N 2 1 266.473 3.795 20 0 CHADMP CCCCCC[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550024 1130973064 /nfs/dbraw/zinc/97/30/64/1130973064.db2.gz BDMHTGXMBVNQCX-WKILWMFISA-N 2 1 252.446 3.549 20 0 CHADMP CC(C)C[N@@H+](Cc1cc(F)ccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551494 1130973144 /nfs/dbraw/zinc/97/31/44/1130973144.db2.gz QUPAEBIPPVXLLF-WKILWMFISA-N 2 1 296.405 3.693 20 0 CHADMP CC1(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CCCCC1 ZINC001236552191 1130973164 /nfs/dbraw/zinc/97/31/64/1130973164.db2.gz OFZPMWOTLGHEDY-QAQDUYKDSA-N 2 1 278.484 3.939 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(Cl)cc2)CC2CC2)CC1 ZINC001236552633 1130974263 /nfs/dbraw/zinc/97/42/63/1130974263.db2.gz SWLLSJSBBNXIAA-QAQDUYKDSA-N 2 1 292.854 3.822 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C2CCCC2)CC1 ZINC001236567683 1130976322 /nfs/dbraw/zinc/97/63/22/1130976322.db2.gz ZGIIYSDVHXCPTR-OREBXVKISA-N 2 1 288.479 3.713 20 0 CHADMP CC/C=C\CCCCC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236584702 1130981047 /nfs/dbraw/zinc/98/10/47/1130981047.db2.gz QCHPHPMLSAGQOS-LIMHQNJXSA-N 2 1 278.484 3.977 20 0 CHADMP CCCc1ccc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)cc1 ZINC001236636185 1130986822 /nfs/dbraw/zinc/98/68/22/1130986822.db2.gz ASWJOEOLBGLNDZ-UHFFFAOYSA-N 2 1 286.463 3.746 20 0 CHADMP CC1=C[C@@H](C)[C@@H](C[N@@H+](C2CCC2)C2CC[NH2+]CC2)CC1 ZINC001236633472 1130987230 /nfs/dbraw/zinc/98/72/30/1130987230.db2.gz JNAUCFLFRSVMJA-HZPDHXFCSA-N 2 1 276.468 3.585 20 0 CHADMP Cc1cc(Cl)ccc1C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236637496 1130987797 /nfs/dbraw/zinc/98/77/97/1130987797.db2.gz QVXQNASDKPSNIH-UHFFFAOYSA-N 2 1 292.854 3.755 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(F)cc1C ZINC000815575925 1131001463 /nfs/dbraw/zinc/00/14/63/1131001463.db2.gz FDOQFIUBNWECMH-GXTWGEPZSA-N 2 1 289.398 3.626 20 0 CHADMP CC(C)(C)C[N@@H+](Cc1cccc(F)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236769423 1131004096 /nfs/dbraw/zinc/00/40/96/1131004096.db2.gz VAGXQQIMXDORHL-QAQDUYKDSA-N 2 1 292.442 3.944 20 0 CHADMP CCC(CC)[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782437 1131006311 /nfs/dbraw/zinc/00/63/11/1131006311.db2.gz KHHOMIRAXCLIRB-CTYIDZIISA-N 2 1 254.462 3.793 20 0 CHADMP CCC[N@@H+](CCc1ccc(C(C)C)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236829480 1131016700 /nfs/dbraw/zinc/01/67/00/1131016700.db2.gz KONDSEDACURVIN-GOSISDBHSA-N 2 1 288.479 3.674 20 0 CHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(-c4cccs4)cc3)C[C@H]12 ZINC001236830782 1131017199 /nfs/dbraw/zinc/01/71/99/1131017199.db2.gz OTDSBZLYUFNOCZ-IXDOHACOSA-N 2 1 298.455 3.584 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c2ccccc12 ZINC001237059807 1131042387 /nfs/dbraw/zinc/04/23/87/1131042387.db2.gz VNYDWZZGQFJBSJ-LJQANCHMSA-N 2 1 282.431 3.709 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)cc1 ZINC001237083130 1131046980 /nfs/dbraw/zinc/04/69/80/1131046980.db2.gz VYSXOYHVOQEVSU-SFHVURJKSA-N 2 1 274.452 3.590 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)cc1 ZINC001237083128 1131047614 /nfs/dbraw/zinc/04/76/14/1131047614.db2.gz VYSXOYHVOQEVSU-GOSISDBHSA-N 2 1 274.452 3.590 20 0 CHADMP C[N@@H+](C1CC1)C1CCN(Cc2ccc3cccccc2-3)CC1 ZINC001237193865 1131070760 /nfs/dbraw/zinc/07/07/60/1131070760.db2.gz UXACCHFJRCYCBH-UHFFFAOYSA-N 2 1 294.442 3.850 20 0 CHADMP C[N@H+](C1CC1)C1CC[NH+](Cc2ccc3cccccc2-3)CC1 ZINC001237193865 1131070767 /nfs/dbraw/zinc/07/07/67/1131070767.db2.gz UXACCHFJRCYCBH-UHFFFAOYSA-N 2 1 294.442 3.850 20 0 CHADMP C[N@@H+](C1CC1)C1CC[NH+](Cc2ccc3cccccc2-3)CC1 ZINC001237193865 1131070773 /nfs/dbraw/zinc/07/07/73/1131070773.db2.gz UXACCHFJRCYCBH-UHFFFAOYSA-N 2 1 294.442 3.850 20 0 CHADMP c1ccc2c(c1)C[N@H+](CC1CCCCC1)C21CC[NH2+]CC1 ZINC001237301565 1131081783 /nfs/dbraw/zinc/08/17/83/1131081783.db2.gz YLLNFHMOZDHQMR-UHFFFAOYSA-N 2 1 284.447 3.661 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237411146 1131096303 /nfs/dbraw/zinc/09/63/03/1131096303.db2.gz GBRHVILTJIBNFG-RHSMWYFYSA-N 2 1 292.854 3.531 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237411146 1131096306 /nfs/dbraw/zinc/09/63/06/1131096306.db2.gz GBRHVILTJIBNFG-RHSMWYFYSA-N 2 1 292.854 3.531 20 0 CHADMP Cc1c[nH+]c2ccccc2c1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001116271250 1131138786 /nfs/dbraw/zinc/13/87/86/1131138786.db2.gz BFZLIWLPWKKODR-UHFFFAOYSA-N 2 1 297.446 3.854 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(C)cc(C)c2)C1 ZINC001116293775 1131139738 /nfs/dbraw/zinc/13/97/38/1131139738.db2.gz XNUILYZBOGUKAU-SJORKVTESA-N 2 1 274.452 3.686 20 0 CHADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CCC[C@@H]3CF)cc21 ZINC001237879344 1131147516 /nfs/dbraw/zinc/14/75/16/1131147516.db2.gz LLOWHNXVRAVMHC-MRXNPFEDSA-N 2 1 288.410 3.622 20 0 CHADMP Cc1ccc(C2CC([NH2+][C@H]3CCCC[C@H]3[NH+](C)C)C2)cc1 ZINC001116535939 1131153639 /nfs/dbraw/zinc/15/36/39/1131153639.db2.gz UCSNPLGZZZMMRR-WZOJCFFYSA-N 2 1 286.463 3.703 20 0 CHADMP CC[NH+]1CCC([N@H+](C)Cc2cc(C)c(Cl)c(C)c2)CC1 ZINC001238095600 1131170702 /nfs/dbraw/zinc/17/07/02/1131170702.db2.gz JRWKAQLHQYPXST-UHFFFAOYSA-N 2 1 294.870 3.873 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)Cc2cc(C)c(Cl)c(C)c2)CC1 ZINC001238095600 1131170704 /nfs/dbraw/zinc/17/07/04/1131170704.db2.gz JRWKAQLHQYPXST-UHFFFAOYSA-N 2 1 294.870 3.873 20 0 CHADMP CC[N@H+](Cc1ccc(C)c(C)c1)Cc1cccc2c[nH+]cn21 ZINC001238109376 1131172477 /nfs/dbraw/zinc/17/24/77/1131172477.db2.gz IGCTYPOZKUDIMC-UHFFFAOYSA-N 2 1 293.414 3.973 20 0 CHADMP CC[N@@H+](Cc1ccc(C)c(C)c1)Cc1cccc2c[nH+]cn21 ZINC001238109376 1131172480 /nfs/dbraw/zinc/17/24/80/1131172480.db2.gz IGCTYPOZKUDIMC-UHFFFAOYSA-N 2 1 293.414 3.973 20 0 CHADMP c1ncn2c1cccc2C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC001238111909 1131172955 /nfs/dbraw/zinc/17/29/55/1131172955.db2.gz YNFXTRNSCZGWBH-GOSISDBHSA-N 2 1 277.371 3.671 20 0 CHADMP c1[nH+]cn2c1cccc2C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC001238111909 1131172957 /nfs/dbraw/zinc/17/29/57/1131172957.db2.gz YNFXTRNSCZGWBH-GOSISDBHSA-N 2 1 277.371 3.671 20 0 CHADMP c1[nH+]cn2c1cccc2C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC001238111909 1131172961 /nfs/dbraw/zinc/17/29/61/1131172961.db2.gz YNFXTRNSCZGWBH-GOSISDBHSA-N 2 1 277.371 3.671 20 0 CHADMP c1csc(C2CC[NH+](Cc3cccc4c[nH+]cn43)CC2)c1 ZINC001238112986 1131173605 /nfs/dbraw/zinc/17/36/05/1131173605.db2.gz GVEJTMCYWWNGHV-UHFFFAOYSA-N 2 1 297.427 3.775 20 0 CHADMP C[C@H]([NH2+]CC1CCCCCCC1)c1c[nH+]ccc1N ZINC000817890777 1131186164 /nfs/dbraw/zinc/18/61/64/1131186164.db2.gz YVPMIFOYWVSOSZ-ZDUSSCGKSA-N 2 1 261.413 3.505 20 0 CHADMP c1cc2cccc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)c2o1 ZINC001118516569 1131230079 /nfs/dbraw/zinc/23/00/79/1131230079.db2.gz KHWLKGIFINHXLD-INIZCTEOSA-N 2 1 298.430 3.644 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC3(CC3)CC2)cc1 ZINC001138545119 1131518945 /nfs/dbraw/zinc/51/89/45/1131518945.db2.gz RVAJFEYRYSDKGL-UHFFFAOYSA-N 2 1 281.403 3.557 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC001138543576 1131519015 /nfs/dbraw/zinc/51/90/15/1131519015.db2.gz PRNSALBMVGQIMA-AWEZNQCLSA-N 2 1 269.392 3.555 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001138543576 1131519018 /nfs/dbraw/zinc/51/90/18/1131519018.db2.gz PRNSALBMVGQIMA-AWEZNQCLSA-N 2 1 269.392 3.555 20 0 CHADMP [NH3+][C@H]1CCC[N@H+](C2CCC3(CCCCC3)CC2)CC1 ZINC001246543053 1131586160 /nfs/dbraw/zinc/58/61/60/1131586160.db2.gz RTYUSZBMARFMCM-HNNXBMFYSA-N 2 1 264.457 3.693 20 0 CHADMP CC(C)(C)C1CCC([N@H+]2CCC[C@](F)(C[NH3+])CC2)CC1 ZINC001246545675 1131594668 /nfs/dbraw/zinc/59/46/68/1131594668.db2.gz CGMUMZMPFIFIND-VMBOVVBDSA-N 2 1 284.463 3.744 20 0 CHADMP CC[NH+](CC)C1CC[NH+](Cc2c[nH]c3cccc(C)c23)CC1 ZINC001139197713 1131595126 /nfs/dbraw/zinc/59/51/26/1131595126.db2.gz XARHCENEISLQCZ-UHFFFAOYSA-N 2 1 299.462 3.783 20 0 CHADMP CC(C)[C@H]1C[C@H]([NH+]2CCC3(CCCCC3)CC2)CC[NH2+]1 ZINC001246551652 1131608062 /nfs/dbraw/zinc/60/80/62/1131608062.db2.gz UPHPTOXMYSGJQA-IAGOWNOFSA-N 2 1 278.484 3.809 20 0 CHADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246551984 1131608896 /nfs/dbraw/zinc/60/88/96/1131608896.db2.gz NAUXRVVBSCGEGK-BLLLJJGKSA-N 2 1 298.833 3.613 20 0 CHADMP CCc1cccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c1 ZINC001144322680 1131616608 /nfs/dbraw/zinc/61/66/08/1131616608.db2.gz CBJFOGUMQQYMAX-UHFFFAOYSA-N 2 1 288.479 3.801 20 0 CHADMP CCCC[C@@H](CC(C)C)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246555810 1131617133 /nfs/dbraw/zinc/61/71/33/1131617133.db2.gz HUJUTRVSUNMIPV-KGLIPLIRSA-N 2 1 276.415 3.507 20 0 CHADMP CCCC[C@H](CC(C)C)[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001246566720 1131633679 /nfs/dbraw/zinc/63/36/79/1131633679.db2.gz UYZUMAIXQIOVLP-OWCLPIDISA-N 2 1 254.462 3.651 20 0 CHADMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCCC3(CCCCC3)C2)CC[C@@H]1F ZINC001246567235 1131635241 /nfs/dbraw/zinc/63/52/41/1131635241.db2.gz HOWWDOMDVFLOFD-OWCLPIDISA-N 2 1 282.447 3.641 20 0 CHADMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCCC3(CCCCC3)C2)CC[C@@H]1F ZINC001246567235 1131635242 /nfs/dbraw/zinc/63/52/42/1131635242.db2.gz HOWWDOMDVFLOFD-OWCLPIDISA-N 2 1 282.447 3.641 20 0 CHADMP Cc1nccn1-c1ccccc1C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001140021979 1131656928 /nfs/dbraw/zinc/65/69/28/1131656928.db2.gz WARVAVQZXBETAX-SJORKVTESA-N 2 1 295.430 3.803 20 0 CHADMP Cc1nccn1-c1ccccc1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001140021977 1131657884 /nfs/dbraw/zinc/65/78/84/1131657884.db2.gz WARVAVQZXBETAX-IAGOWNOFSA-N 2 1 295.430 3.803 20 0 CHADMP C[C@H]1C[N@@H+](CCCCCC[NH3+])CC[C@H]1c1ccccc1 ZINC000846219086 1131700961 /nfs/dbraw/zinc/70/09/61/1131700961.db2.gz FYUGMLWUAOQQKC-FUHWJXTLSA-N 2 1 274.452 3.631 20 0 CHADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCCCCC[NH3+] ZINC000846219366 1131702119 /nfs/dbraw/zinc/70/21/19/1131702119.db2.gz PLLUACVVGIONBQ-GDBMZVCRSA-N 2 1 278.415 3.523 20 0 CHADMP CCCCC[C@@H](C)[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001246592733 1131707341 /nfs/dbraw/zinc/70/73/41/1131707341.db2.gz LHNYFHCDSBNLRR-HZPDHXFCSA-N 2 1 254.462 3.808 20 0 CHADMP CCCCCC1CCC([N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246595194 1131709904 /nfs/dbraw/zinc/70/99/04/1131709904.db2.gz XMQYEOPFWAIGQH-SJJHQCBESA-N 2 1 284.463 3.887 20 0 CHADMP CCCCCC1CCC([N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246595194 1131709907 /nfs/dbraw/zinc/70/99/07/1131709907.db2.gz XMQYEOPFWAIGQH-SJJHQCBESA-N 2 1 284.463 3.887 20 0 CHADMP C1C[N@@H+](C2CCCCCCC2)[C@@]2(C1)CCC[NH2+]CC2 ZINC001246601978 1131713452 /nfs/dbraw/zinc/71/34/52/1131713452.db2.gz AMYXMDXXEPVILB-QGZVFWFLSA-N 2 1 264.457 3.707 20 0 CHADMP CC(C)CCC[C@H](C)[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246615770 1131719888 /nfs/dbraw/zinc/71/98/88/1131719888.db2.gz SPZYCHUISSBRKQ-IRXDYDNUSA-N 2 1 266.473 3.809 20 0 CHADMP CC(C)CCC[C@H](C)[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246615770 1131719894 /nfs/dbraw/zinc/71/98/94/1131719894.db2.gz SPZYCHUISSBRKQ-IRXDYDNUSA-N 2 1 266.473 3.809 20 0 CHADMP CCCCCC[C@@H](CCC)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC001246645779 1131773101 /nfs/dbraw/zinc/77/31/01/1131773101.db2.gz DOXYYBDJFVMFHB-MRXNPFEDSA-N 2 1 266.473 3.953 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](c2ccccc2)C1(C)C ZINC001171267916 1131780738 /nfs/dbraw/zinc/78/07/38/1131780738.db2.gz UKJQWPHMROHZOD-ZWKOTPCHSA-N 2 1 286.463 3.739 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](c2ccccc2)C1(C)C ZINC001171267916 1131780745 /nfs/dbraw/zinc/78/07/45/1131780745.db2.gz UKJQWPHMROHZOD-ZWKOTPCHSA-N 2 1 286.463 3.739 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](c2ccccc2)C1(C)C ZINC001171267916 1131780750 /nfs/dbraw/zinc/78/07/50/1131780750.db2.gz UKJQWPHMROHZOD-ZWKOTPCHSA-N 2 1 286.463 3.739 20 0 CHADMP CCC[C@H](C)CC[C@@H](C)[N@@H+](CC)C1CC[NH2+]CC1 ZINC001246797308 1131783358 /nfs/dbraw/zinc/78/33/58/1131783358.db2.gz NQPJKMRYLACPAR-LSDHHAIUSA-N 2 1 254.462 3.665 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@@H+](CC)C1CC[NH2+]CC1 ZINC001246797304 1131784561 /nfs/dbraw/zinc/78/45/61/1131784561.db2.gz NQPJKMRYLACPAR-GJZGRUSLSA-N 2 1 254.462 3.665 20 0 CHADMP C[N@@H+](CC1CCCCC1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246847277 1131789236 /nfs/dbraw/zinc/78/92/36/1131789236.db2.gz RTQHYWRZLVJFLT-HOTGVXAUSA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)C[C@H](C)C[C@@H](C)[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001246905719 1131805294 /nfs/dbraw/zinc/80/52/94/1131805294.db2.gz FZKGXQYLKMZZLS-LSDHHAIUSA-N 2 1 254.462 3.521 20 0 CHADMP CC[N@@H+](Cc1cccc(Cl)c1)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246907205 1131807669 /nfs/dbraw/zinc/80/76/69/1131807669.db2.gz PSYSFWPBIQWHKO-YWVIFJGQSA-N 2 1 280.843 3.691 20 0 CHADMP CC[N@@H+](Cc1cccc(Cl)c1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246907910 1131807781 /nfs/dbraw/zinc/80/77/81/1131807781.db2.gz SKDUFLHPYXJEDD-OAHLLOKOSA-N 2 1 280.843 3.693 20 0 CHADMP CCCCC(CCCC)[N@H+]1CC[C@@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001246936118 1131822807 /nfs/dbraw/zinc/82/28/07/1131822807.db2.gz KKHILDQRWOHCCC-ZIAGYGMSSA-N 2 1 294.405 3.947 20 0 CHADMP C[C@H]1CC[C@H]([N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001246966510 1131829284 /nfs/dbraw/zinc/82/92/84/1131829284.db2.gz UXDCVWIJBDUGIP-HJWJTTGWSA-N 2 1 264.457 3.547 20 0 CHADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001247002520 1131839327 /nfs/dbraw/zinc/83/93/27/1131839327.db2.gz NFBOLNGHMBKDER-ARFHVFGLSA-N 2 1 254.462 3.508 20 0 CHADMP Cc1ccccc1C[N@H+](C)Cc1c[nH]c2cc[nH+]cc12 ZINC001140803683 1131926438 /nfs/dbraw/zinc/92/64/38/1131926438.db2.gz SPKAQERPYUIMNQ-UHFFFAOYSA-N 2 1 265.360 3.503 20 0 CHADMP Cc1ccccc1C[N@@H+](C)Cc1c[nH]c2cc[nH+]cc12 ZINC001140803683 1131926441 /nfs/dbraw/zinc/92/64/41/1131926441.db2.gz SPKAQERPYUIMNQ-UHFFFAOYSA-N 2 1 265.360 3.503 20 0 CHADMP c1nc2cc[nH]cc-2c1C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC001140807279 1131929386 /nfs/dbraw/zinc/92/93/86/1131929386.db2.gz SZXRJANTGYZNGR-SUMWQHHRSA-N 2 1 269.392 3.718 20 0 CHADMP c1[nH]c2ccncc2c1C[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC001140807279 1131929390 /nfs/dbraw/zinc/92/93/90/1131929390.db2.gz SZXRJANTGYZNGR-SUMWQHHRSA-N 2 1 269.392 3.718 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC001140807279 1131929402 /nfs/dbraw/zinc/92/94/02/1131929402.db2.gz SZXRJANTGYZNGR-SUMWQHHRSA-N 2 1 269.392 3.718 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC001140807279 1131929409 /nfs/dbraw/zinc/92/94/09/1131929409.db2.gz SZXRJANTGYZNGR-SUMWQHHRSA-N 2 1 269.392 3.718 20 0 CHADMP C=C/C=C/CC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000713679423 1131965817 /nfs/dbraw/zinc/96/58/17/1131965817.db2.gz NUMSFIGZQPFJKZ-MSIWKICXSA-N 2 1 284.447 3.619 20 0 CHADMP C=C/C=C\CC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000713679429 1131966491 /nfs/dbraw/zinc/96/64/91/1131966491.db2.gz NUMSFIGZQPFJKZ-PKVWGGKHSA-N 2 1 284.447 3.619 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206624662 1132026707 /nfs/dbraw/zinc/02/67/07/1132026707.db2.gz YMQWSFOTYASJFJ-MRXNPFEDSA-N 2 1 282.431 3.709 20 0 CHADMP C=C/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716703096 1132028496 /nfs/dbraw/zinc/02/84/96/1132028496.db2.gz XNQITIVWFZXMOE-IQUHNSSXSA-N 2 1 296.458 3.761 20 0 CHADMP CC[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000716727470 1132030160 /nfs/dbraw/zinc/03/01/60/1132030160.db2.gz LGTSGQBTJDKTNI-FRYIKTPZSA-N 2 1 298.474 3.818 20 0 CHADMP C[NH+]1C(C)(C)CC([N@H+]2CCCC(F)(F)CC2)CC1(C)C ZINC001171631894 1132062665 /nfs/dbraw/zinc/06/26/65/1132062665.db2.gz PCCKQEOCUUKEFQ-UHFFFAOYSA-N 2 1 288.426 3.759 20 0 CHADMP CC1(C)C[C@@H]([NH2+]C23CC(C2)C3)CC[N@H+]1Cc1ccccc1 ZINC001171963015 1132112544 /nfs/dbraw/zinc/11/25/44/1132112544.db2.gz DLJWCPOVXHOHJZ-HFCFLWKCSA-N 2 1 284.447 3.572 20 0 CHADMP CC1(C)C[C@H]([NH2+][C@@H]2C[C@@H]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001171975347 1132118014 /nfs/dbraw/zinc/11/80/14/1132118014.db2.gz CDXBTJXOKVLTLV-GUDVDZBRSA-N 2 1 298.474 3.818 20 0 CHADMP C[N@H+](C1CC1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976423 1132118029 /nfs/dbraw/zinc/11/80/29/1132118029.db2.gz LCYFLIQPMXEXNH-KRWDZBQOSA-N 2 1 272.436 3.524 20 0 CHADMP C[N@@H+](C1CC1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976423 1132118031 /nfs/dbraw/zinc/11/80/31/1132118031.db2.gz LCYFLIQPMXEXNH-KRWDZBQOSA-N 2 1 272.436 3.524 20 0 CHADMP C[NH+](C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976423 1132118034 /nfs/dbraw/zinc/11/80/34/1132118034.db2.gz LCYFLIQPMXEXNH-KRWDZBQOSA-N 2 1 272.436 3.524 20 0 CHADMP C[NH+](C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976423 1132118035 /nfs/dbraw/zinc/11/80/35/1132118035.db2.gz LCYFLIQPMXEXNH-KRWDZBQOSA-N 2 1 272.436 3.524 20 0 CHADMP CC1(C)C[C@H]([NH2+][C@H]2C[C@@H]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001171975348 1132118288 /nfs/dbraw/zinc/11/82/88/1132118288.db2.gz CDXBTJXOKVLTLV-QRVBRYPASA-N 2 1 298.474 3.818 20 0 CHADMP CC1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC1 ZINC001171969582 1132118486 /nfs/dbraw/zinc/11/84/86/1132118486.db2.gz VIDWAKBRLLVOBH-QGZVFWFLSA-N 2 1 286.463 3.962 20 0 CHADMP C[N@H+](CC1CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172080323 1132123085 /nfs/dbraw/zinc/12/30/85/1132123085.db2.gz SZVYTHRXVFDEAA-ACDBMABISA-N 2 1 298.474 3.914 20 0 CHADMP C[N@@H+](CC1CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172080323 1132123089 /nfs/dbraw/zinc/12/30/89/1132123089.db2.gz SZVYTHRXVFDEAA-ACDBMABISA-N 2 1 298.474 3.914 20 0 CHADMP C[NH+](CC1CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172080323 1132123092 /nfs/dbraw/zinc/12/30/92/1132123092.db2.gz SZVYTHRXVFDEAA-ACDBMABISA-N 2 1 298.474 3.914 20 0 CHADMP C[NH+](CC1CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172080323 1132123094 /nfs/dbraw/zinc/12/30/94/1132123094.db2.gz SZVYTHRXVFDEAA-ACDBMABISA-N 2 1 298.474 3.914 20 0 CHADMP CC1(C)C[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077957 1132123981 /nfs/dbraw/zinc/12/39/81/1132123981.db2.gz VZTKABHBAJTKRA-AKHDSKFASA-N 2 1 298.474 3.960 20 0 CHADMP CCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069775 1132125255 /nfs/dbraw/zinc/12/52/55/1132125255.db2.gz XBWIYSYCYUEJJB-LDLYASANSA-N 2 1 286.463 3.962 20 0 CHADMP CC[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172063853 1132126204 /nfs/dbraw/zinc/12/62/04/1132126204.db2.gz DENPZAOPKQIRHQ-OQIJWPOYSA-N 2 1 286.463 3.960 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)c1ccccc1)C2 ZINC001172100719 1132126234 /nfs/dbraw/zinc/12/62/34/1132126234.db2.gz RVGDBIFAVKFPRT-OSYLJGHBSA-N 2 1 272.436 3.527 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)c1ccccc1)C2 ZINC001172100719 1132126237 /nfs/dbraw/zinc/12/62/37/1132126237.db2.gz RVGDBIFAVKFPRT-OSYLJGHBSA-N 2 1 272.436 3.527 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)C2 ZINC001172108454 1132129333 /nfs/dbraw/zinc/12/93/33/1132129333.db2.gz AKHAKEPJRWKQHM-LJDSDSDDSA-N 2 1 298.474 3.928 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)C2 ZINC001172108454 1132129336 /nfs/dbraw/zinc/12/93/36/1132129336.db2.gz AKHAKEPJRWKQHM-LJDSDSDDSA-N 2 1 298.474 3.928 20 0 CHADMP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1C ZINC001172108725 1132129357 /nfs/dbraw/zinc/12/93/57/1132129357.db2.gz DLNBBNRYKKOCKP-ZJPYXAASSA-N 2 1 286.463 3.969 20 0 CHADMP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1C ZINC001172108725 1132129361 /nfs/dbraw/zinc/12/93/61/1132129361.db2.gz DLNBBNRYKKOCKP-ZJPYXAASSA-N 2 1 286.463 3.969 20 0 CHADMP CSc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172103472 1132129423 /nfs/dbraw/zinc/12/94/23/1132129423.db2.gz USSAUVQRVZJCLG-PHZGNYQRSA-N 2 1 290.476 3.513 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)CC1CCC1)C2 ZINC001172109490 1132130797 /nfs/dbraw/zinc/13/07/97/1132130797.db2.gz DLSHMLSKKAKRGD-PHZGNYQRSA-N 2 1 264.457 3.560 20 0 CHADMP CCC[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccncc1 ZINC001172113601 1132131448 /nfs/dbraw/zinc/13/14/48/1132131448.db2.gz DSRNFHWLIDSUEK-MHORFTMASA-N 2 1 287.451 3.528 20 0 CHADMP CCC[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC001172113601 1132131452 /nfs/dbraw/zinc/13/14/52/1132131452.db2.gz DSRNFHWLIDSUEK-MHORFTMASA-N 2 1 287.451 3.528 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H]1c1ccccc1)C2 ZINC001172120390 1132132202 /nfs/dbraw/zinc/13/22/02/1132132202.db2.gz FEDSNAWSVVIKER-FCGDIQPGSA-N 2 1 284.447 3.839 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H]1c1ccccc1)C2 ZINC001172120390 1132132203 /nfs/dbraw/zinc/13/22/03/1132132203.db2.gz FEDSNAWSVVIKER-FCGDIQPGSA-N 2 1 284.447 3.839 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@H]1c1ccccc1)C2 ZINC001172120390 1132132205 /nfs/dbraw/zinc/13/22/05/1132132205.db2.gz FEDSNAWSVVIKER-FCGDIQPGSA-N 2 1 284.447 3.839 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@H]1c1ccccc1)C2 ZINC001172120390 1132132207 /nfs/dbraw/zinc/13/22/07/1132132207.db2.gz FEDSNAWSVVIKER-FCGDIQPGSA-N 2 1 284.447 3.839 20 0 CHADMP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172112369 1132133333 /nfs/dbraw/zinc/13/33/33/1132133333.db2.gz VVEGPKHJYDLFTD-FJIDUMEYSA-N 2 1 286.463 3.969 20 0 CHADMP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172112369 1132133337 /nfs/dbraw/zinc/13/33/37/1132133337.db2.gz VVEGPKHJYDLFTD-FJIDUMEYSA-N 2 1 286.463 3.969 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc3ccoc3c1)C2 ZINC001172113335 1132133360 /nfs/dbraw/zinc/13/33/60/1132133360.db2.gz CGNVJKKLSIFJHA-OSYLJGHBSA-N 2 1 284.403 3.538 20 0 CHADMP Cc1cccc(C2([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC001172110960 1132133385 /nfs/dbraw/zinc/13/33/85/1132133385.db2.gz RMCHFHKLTVTKKX-BCDXTJNWSA-N 2 1 284.447 3.589 20 0 CHADMP Cc1cccc(C2([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001172110960 1132133387 /nfs/dbraw/zinc/13/33/87/1132133387.db2.gz RMCHFHKLTVTKKX-BCDXTJNWSA-N 2 1 284.447 3.589 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCCCCCC1)C2 ZINC001172122422 1132135945 /nfs/dbraw/zinc/13/59/45/1132135945.db2.gz AZVXVKWILCJUJC-BJWYYQGGSA-N 2 1 264.457 3.658 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCCC3)CC1)C2 ZINC001172120758 1132136080 /nfs/dbraw/zinc/13/60/80/1132136080.db2.gz MNDCITVVXTVNKJ-FVQHAEBGSA-N 2 1 276.468 3.658 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H](Cc3ccccc3)C1)C2 ZINC001172124105 1132136474 /nfs/dbraw/zinc/13/64/74/1132136474.db2.gz JLKYDXKCFFQSBL-VNTMZGSJSA-N 2 1 298.474 3.566 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H](Cc3ccccc3)C1)C2 ZINC001172124105 1132136476 /nfs/dbraw/zinc/13/64/76/1132136476.db2.gz JLKYDXKCFFQSBL-VNTMZGSJSA-N 2 1 298.474 3.566 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](Cc3ccccc3)C1)C2 ZINC001172124105 1132136477 /nfs/dbraw/zinc/13/64/77/1132136477.db2.gz JLKYDXKCFFQSBL-VNTMZGSJSA-N 2 1 298.474 3.566 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@H](Cc3ccccc3)C1)C2 ZINC001172124105 1132136480 /nfs/dbraw/zinc/13/64/80/1132136480.db2.gz JLKYDXKCFFQSBL-VNTMZGSJSA-N 2 1 298.474 3.566 20 0 CHADMP CC[C@H](C)OCC[C@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001172322059 1132159806 /nfs/dbraw/zinc/15/98/06/1132159806.db2.gz RKPMWDXMDVRTOP-MHORFTMASA-N 2 1 298.515 3.538 20 0 CHADMP CC[C@@H](C)OCC[C@H](C)[N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172338337 1132175385 /nfs/dbraw/zinc/17/53/85/1132175385.db2.gz YIZAKVXHICLCAU-YVSFHVDLSA-N 2 1 284.488 3.560 20 0 CHADMP CC[C@@H](C)OCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001172341379 1132177768 /nfs/dbraw/zinc/17/77/68/1132177768.db2.gz ZFWHDEOXZYFMRF-GVDBMIGSSA-N 2 1 296.499 3.577 20 0 CHADMP CC[C@@H](C)OCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001172341379 1132177771 /nfs/dbraw/zinc/17/77/71/1132177771.db2.gz ZFWHDEOXZYFMRF-GVDBMIGSSA-N 2 1 296.499 3.577 20 0 CHADMP CC(C)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001172368885 1132194546 /nfs/dbraw/zinc/19/45/46/1132194546.db2.gz KEHALGCHGMCFRX-WRQOLXDDSA-N 2 1 266.473 3.791 20 0 CHADMP CC[C@@H](CC(C)C)[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001172405845 1132197414 /nfs/dbraw/zinc/19/74/14/1132197414.db2.gz COXSSARVBOYKDB-KRWDZBQOSA-N 2 1 268.489 3.863 20 0 CHADMP CCCCCC[C@@H](CCC)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001172384087 1132210297 /nfs/dbraw/zinc/21/02/97/1132210297.db2.gz RYGXBCMGHNOABS-MRXNPFEDSA-N 2 1 277.456 3.880 20 0 CHADMP CCCCCC[C@@H](CCC)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001172384087 1132210304 /nfs/dbraw/zinc/21/03/04/1132210304.db2.gz RYGXBCMGHNOABS-MRXNPFEDSA-N 2 1 277.456 3.880 20 0 CHADMP CC(C)OCC[C@@H](C)[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001172458156 1132240124 /nfs/dbraw/zinc/24/01/24/1132240124.db2.gz ZJHQDFUOZYPKIF-SQNIBIBYSA-N 2 1 296.499 3.529 20 0 CHADMP CC(C)OCC[C@@H](C)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001172458156 1132240128 /nfs/dbraw/zinc/24/01/28/1132240128.db2.gz ZJHQDFUOZYPKIF-SQNIBIBYSA-N 2 1 296.499 3.529 20 0 CHADMP CC(C)OCC[C@@H](C)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001172458156 1132240133 /nfs/dbraw/zinc/24/01/33/1132240133.db2.gz ZJHQDFUOZYPKIF-SQNIBIBYSA-N 2 1 296.499 3.529 20 0 CHADMP C[N@@H+]([C@@H]1CC[C@@H](c2ccccc2)C1)C1CCC([NH3+])CC1 ZINC001172551133 1132263943 /nfs/dbraw/zinc/26/39/43/1132263943.db2.gz MPZFRZBRNKELOE-AQEOSJORSA-N 2 1 272.436 3.524 20 0 CHADMP C[NH+]1CC[C@@]2(CC[N@H+](C3CCC4(CCCC4)CC3)C2)C1 ZINC001172730382 1132303717 /nfs/dbraw/zinc/30/37/17/1132303717.db2.gz FXXGHTAEFZVJNJ-GOSISDBHSA-N 2 1 276.468 3.517 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+](C)CCC[NH+](C)C ZINC001231646599 1132333153 /nfs/dbraw/zinc/33/31/53/1132333153.db2.gz LANMASSZGFFBDD-UHFFFAOYSA-N 2 1 276.449 3.593 20 0 CHADMP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H](C)C(F)(F)C2)CC1 ZINC001173110308 1132393600 /nfs/dbraw/zinc/39/36/00/1132393600.db2.gz RKBURBRYWAUVLY-WLYUNCDWSA-N 2 1 288.426 3.617 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](C)C(F)(F)C2)CC1 ZINC001173110308 1132393608 /nfs/dbraw/zinc/39/36/08/1132393608.db2.gz RKBURBRYWAUVLY-WLYUNCDWSA-N 2 1 288.426 3.617 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H]2C(C)(C)OC)CC1 ZINC001173114329 1132394822 /nfs/dbraw/zinc/39/48/22/1132394822.db2.gz GSPFETROWLBDGL-JCYILVPMSA-N 2 1 296.499 3.529 20 0 CHADMP COc1ccccc1[C@H](C)[N@@H+](C)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232015401 1132410032 /nfs/dbraw/zinc/41/00/32/1132410032.db2.gz GOMADSCNFCYGCW-ZDUSSCGKSA-N 2 1 295.386 3.765 20 0 CHADMP Cc1ccc(C[N@@H+](C)Cc2cc3c[nH+]ccc3[nH]2)cc1C ZINC001232016818 1132412789 /nfs/dbraw/zinc/41/27/89/1132412789.db2.gz IMKSJHKYUCKVKM-UHFFFAOYSA-N 2 1 279.387 3.812 20 0 CHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCCC[C@](C)(F)C2)c1 ZINC001232143539 1132427120 /nfs/dbraw/zinc/42/71/20/1132427120.db2.gz ANQLWQXBBUWWTI-KRWDZBQOSA-N 2 1 296.405 3.601 20 0 CHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCCC[C@](C)(F)C2)c1 ZINC001232143539 1132427121 /nfs/dbraw/zinc/42/71/21/1132427121.db2.gz ANQLWQXBBUWWTI-KRWDZBQOSA-N 2 1 296.405 3.601 20 0 CHADMP C[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C[C@@H]1C ZINC001232144346 1132427996 /nfs/dbraw/zinc/42/79/96/1132427996.db2.gz IYUODTKZBWVXMF-CABCVRRESA-N 2 1 292.442 3.755 20 0 CHADMP CCCC[N@@H+](CC)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232143307 1132428411 /nfs/dbraw/zinc/42/84/11/1132428411.db2.gz AUEUKQZFWHHVLX-UHFFFAOYSA-N 2 1 266.404 3.509 20 0 CHADMP C[C@H]1c2ccc(F)cc2CC[N@@H+]1CCCCCCC[NH3+] ZINC000842473121 1132432644 /nfs/dbraw/zinc/43/26/44/1132432644.db2.gz PRDQPLNBXMAWDD-AWEZNQCLSA-N 2 1 278.415 3.654 20 0 CHADMP C[N@@H+](CCCCCCC[NH3+])Cc1cc2ccccc2o1 ZINC000842473487 1132433649 /nfs/dbraw/zinc/43/36/49/1132433649.db2.gz VWWZJDSXYUDJSS-UHFFFAOYSA-N 2 1 274.408 3.774 20 0 CHADMP CC[C@H]1CC[C@@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173271020 1132436599 /nfs/dbraw/zinc/43/65/99/1132436599.db2.gz OYIGQRYERLCELU-QSPRXWTASA-N 2 1 264.457 3.547 20 0 CHADMP CCc1ccc(C[C@@H](C)[N@H+](CC[NH3+])Cc2ccccc2)cc1 ZINC001173239729 1132441833 /nfs/dbraw/zinc/44/18/33/1132441833.db2.gz SESWMXSIGODOCH-QGZVFWFLSA-N 2 1 296.458 3.641 20 0 CHADMP CCc1ccc(C[C@@H](C)[N@@H+](CC[NH3+])Cc2ccccc2)cc1 ZINC001173239729 1132441835 /nfs/dbraw/zinc/44/18/35/1132441835.db2.gz SESWMXSIGODOCH-QGZVFWFLSA-N 2 1 296.458 3.641 20 0 CHADMP CCSC[C@H](C)[N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173300218 1132447066 /nfs/dbraw/zinc/44/70/66/1132447066.db2.gz ZPIITEFTEZSLCG-XIRDDKMYSA-N 2 1 298.540 3.890 20 0 CHADMP CC[C@H]1CC[C@H]([N@@H+](C)CC2CC[NH+](C(C)C)CC2)C1 ZINC001173277976 1132453214 /nfs/dbraw/zinc/45/32/14/1132453214.db2.gz GWLWPUDRCQXGSE-RDJZCZTQSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842699841 1132453695 /nfs/dbraw/zinc/45/36/95/1132453695.db2.gz FJKYPBMTLCGBAF-BHIYHBOVSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842699841 1132453698 /nfs/dbraw/zinc/45/36/98/1132453698.db2.gz FJKYPBMTLCGBAF-BHIYHBOVSA-N 2 1 298.474 3.962 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001173337825 1132466047 /nfs/dbraw/zinc/46/60/47/1132466047.db2.gz BNUCOEPLEMBUJX-MRXNPFEDSA-N 2 1 275.440 3.674 20 0 CHADMP Cc1cccc2c1cc[nH+]c2NC[C@@H]1CCC[NH2+]C[C@H]1C ZINC001155025334 1132637323 /nfs/dbraw/zinc/63/73/23/1132637323.db2.gz NLKZONGXSVWZMX-CABCVRRESA-N 2 1 283.419 3.591 20 0 CHADMP Cc1cc(C)[nH+]c(Nc2ccccc2C[NH+](C)C)c1 ZINC001173927711 1132641460 /nfs/dbraw/zinc/64/14/60/1132641460.db2.gz OLWKLAJIJZRGAE-UHFFFAOYSA-N 2 1 255.365 3.504 20 0 CHADMP Cc1ccc2c(C)cc(NC[C@H]3C[NH2+][C@H](C)C3)[nH+]c2c1C ZINC001155102131 1132642677 /nfs/dbraw/zinc/64/26/77/1132642677.db2.gz OEESSRYUMYYLJM-UKRRQHHQSA-N 2 1 283.419 3.570 20 0 CHADMP Cc1cc2[nH]ccc2c(NCCC[N@@H+]2CCCC[C@@H]2C)[nH+]1 ZINC001156927876 1132716087 /nfs/dbraw/zinc/71/60/87/1132716087.db2.gz HEIFHDJAKJWPBL-AWEZNQCLSA-N 2 1 286.423 3.548 20 0 CHADMP CC[NH+](CC)c1ccc(Nc2cccc3c2CC[NH2+]C3)cc1 ZINC001159425799 1132841393 /nfs/dbraw/zinc/84/13/93/1132841393.db2.gz ARTKHLOWSYZRGS-UHFFFAOYSA-N 2 1 295.430 3.922 20 0 CHADMP Cc1ccc2cc[nH+]c(N[C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)c2c1 ZINC001160469188 1132970865 /nfs/dbraw/zinc/97/08/65/1132970865.db2.gz QLELSHPNYDEEPM-OSYLJGHBSA-N 2 1 295.430 3.970 20 0 CHADMP Cc1ccc2cc[nH+]c(N[C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)c2c1 ZINC001160469188 1132970867 /nfs/dbraw/zinc/97/08/67/1132970867.db2.gz QLELSHPNYDEEPM-OSYLJGHBSA-N 2 1 295.430 3.970 20 0 CHADMP Cc1cc2c(nc[nH+]c2NCC[PH+](C(C)C)C(C)C)[nH]1 ZINC001162357577 1133071511 /nfs/dbraw/zinc/07/15/11/1133071511.db2.gz BPLHXNXEYDPBLV-UHFFFAOYSA-N 2 1 292.367 3.977 20 0 CHADMP Cc1ccc2c(C)cc(NC[C@@H]3CCC[NH2+]C[C@H]3C)[nH+]c2c1 ZINC001162462335 1133078823 /nfs/dbraw/zinc/07/88/23/1133078823.db2.gz UZCOUNZBACBXBJ-CVEARBPZSA-N 2 1 297.446 3.899 20 0 CHADMP CC(C)(C)[PH+](CCCNc1cc(N)[nH+]cn1)C(C)(C)C ZINC001162473830 1133080661 /nfs/dbraw/zinc/08/06/61/1133080661.db2.gz ZKMNKGSHAVULBC-UHFFFAOYSA-N 2 1 296.399 3.940 20 0 CHADMP CC(C)(C)[PH+](CCCNc1cc(N)nc[nH+]1)C(C)(C)C ZINC001162473830 1133080667 /nfs/dbraw/zinc/08/06/67/1133080667.db2.gz ZKMNKGSHAVULBC-UHFFFAOYSA-N 2 1 296.399 3.940 20 0 CHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=[NH2+])C(C)(C)C)nc1 ZINC001162662158 1133101735 /nfs/dbraw/zinc/10/17/35/1133101735.db2.gz ORSHOYWQBHPPLN-ZDUSSCGKSA-N 2 1 288.439 3.891 20 0 CHADMP C[NH+](C)CC1CCC(Nc2ccc(C(C)(C)C)c[nH+]2)CC1 ZINC001163304117 1133140862 /nfs/dbraw/zinc/14/08/62/1133140862.db2.gz WUSFBKVPODHGDX-UHFFFAOYSA-N 2 1 289.467 3.911 20 0 CHADMP Cc1ccc2c(C)cc(N3C[C@@H](C[NH3+])CC[C@@H]3C)[nH+]c2c1C ZINC001164473855 1133221389 /nfs/dbraw/zinc/22/13/89/1133221389.db2.gz KCLRGAGFAOCMEZ-GOEBONIOSA-N 2 1 297.446 3.724 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC001203692258 1133354157 /nfs/dbraw/zinc/35/41/57/1133354157.db2.gz XFSNHRGIFNBPAQ-AEFFLSMTSA-N 2 1 288.479 3.923 20 0 CHADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001204103945 1133407568 /nfs/dbraw/zinc/40/75/68/1133407568.db2.gz NNIPARTYPWQMBZ-GFCCVEGCSA-N 2 1 286.822 3.689 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(C)C)cc1 ZINC001204168902 1133415029 /nfs/dbraw/zinc/41/50/29/1133415029.db2.gz WTCCFNDYMACEDT-UHFFFAOYSA-N 2 1 262.441 3.584 20 0 CHADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)C1 ZINC001204592082 1133465066 /nfs/dbraw/zinc/46/50/66/1133465066.db2.gz LNNCFNYJPZCNIC-QRQLOZEOSA-N 2 1 292.511 3.867 20 0 CHADMP CC[C@@H]1CCC[C@@H](C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1 ZINC001204592082 1133465069 /nfs/dbraw/zinc/46/50/69/1133465069.db2.gz LNNCFNYJPZCNIC-QRQLOZEOSA-N 2 1 292.511 3.867 20 0 CHADMP CC[C@@H]1CCC[C@@H](C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC001204592082 1133465071 /nfs/dbraw/zinc/46/50/71/1133465071.db2.gz LNNCFNYJPZCNIC-QRQLOZEOSA-N 2 1 292.511 3.867 20 0 CHADMP CC(C)(C)[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccc1 ZINC001204604672 1133467076 /nfs/dbraw/zinc/46/70/76/1133467076.db2.gz UYVNVJAPOVMLQJ-UHFFFAOYSA-N 2 1 274.452 3.677 20 0 CHADMP CC[NH+]1CCC(C[N@H+]2CCCC[C@@H]2CC(C)C)CC1 ZINC001204609232 1133467143 /nfs/dbraw/zinc/46/71/43/1133467143.db2.gz QHTIGLTVQUTTIQ-QGZVFWFLSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@]1([NH3+])CCC[N@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001204938823 1133503755 /nfs/dbraw/zinc/50/37/55/1133503755.db2.gz NEJJQIDIVYCWNF-IBGZPJMESA-N 2 1 298.405 3.806 20 0 CHADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001204938823 1133503757 /nfs/dbraw/zinc/50/37/57/1133503757.db2.gz NEJJQIDIVYCWNF-IBGZPJMESA-N 2 1 298.405 3.806 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccccc1-c1cccs1 ZINC001205075800 1133523865 /nfs/dbraw/zinc/52/38/65/1133523865.db2.gz NXVYNHOWBAVBSQ-ZFWWWQNUSA-N 2 1 286.444 3.727 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccccc1-c1cccs1 ZINC001205075800 1133523867 /nfs/dbraw/zinc/52/38/67/1133523867.db2.gz NXVYNHOWBAVBSQ-ZFWWWQNUSA-N 2 1 286.444 3.727 20 0 CHADMP Cc1cccc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c1C ZINC001205082082 1133525950 /nfs/dbraw/zinc/52/59/50/1133525950.db2.gz HOLNKCGRZWEMGO-UHFFFAOYSA-N 2 1 288.479 3.856 20 0 CHADMP C[C@@H](C[N@H+]1CCC[C@@H]([NH3+])CC1)c1cccc2ccccc21 ZINC001205094564 1133529097 /nfs/dbraw/zinc/52/90/97/1133529097.db2.gz MZAINSWHSNCAGU-DOTOQJQBSA-N 2 1 282.431 3.757 20 0 CHADMP CCOc1ccc2ccccc2c1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205102639 1133530319 /nfs/dbraw/zinc/53/03/19/1133530319.db2.gz UZHOCTIBNDZRPB-INIZCTEOSA-N 2 1 298.430 3.552 20 0 CHADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(Cc3ccccc3)cc2)CC1 ZINC001205116559 1133532291 /nfs/dbraw/zinc/53/22/91/1133532291.db2.gz CNIQRXDYAXEQFX-FQEVSTJZSA-N 2 1 294.442 3.591 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC001205171023 1133540606 /nfs/dbraw/zinc/54/06/06/1133540606.db2.gz JGUYXNSZJZPJCV-QGZVFWFLSA-N 2 1 260.425 3.733 20 0 CHADMP C[C@]1([NH3+])CCC[N@@H+](Cc2c[nH]c3cc(Cl)ccc23)CC1 ZINC001205273266 1133553747 /nfs/dbraw/zinc/55/37/47/1133553747.db2.gz JBHDFWUILWYZNB-INIZCTEOSA-N 2 1 291.826 3.525 20 0 CHADMP Cc1c(C)c(C)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(C)c1C ZINC001205281187 1133554417 /nfs/dbraw/zinc/55/44/17/1133554417.db2.gz QYMOSHMPWKJOLL-IBGZPJMESA-N 2 1 288.479 3.932 20 0 CHADMP CC(C)c1cccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205288388 1133555064 /nfs/dbraw/zinc/55/50/64/1133555064.db2.gz KBXJPSMHCQROOK-KRWDZBQOSA-N 2 1 260.425 3.513 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2)C[C@H]1C[NH3+] ZINC001205305035 1133558281 /nfs/dbraw/zinc/55/82/81/1133558281.db2.gz QOTXRWUJYAUALK-OXQOHEQNSA-N 2 1 294.442 3.770 20 0 CHADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(-c2ccccc2)s1 ZINC001205325990 1133561092 /nfs/dbraw/zinc/56/10/92/1133561092.db2.gz SOWWJYJARNWLHS-CQSZACIVSA-N 2 1 286.444 3.599 20 0 CHADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc(-c2ccccc2)s1 ZINC001205325990 1133561095 /nfs/dbraw/zinc/56/10/95/1133561095.db2.gz SOWWJYJARNWLHS-CQSZACIVSA-N 2 1 286.444 3.599 20 0 CHADMP CC1=CC[C@@H](CC[N@H+]2CCC[C@@](F)(C[NH3+])CC2)C1(C)C ZINC001205536771 1133586486 /nfs/dbraw/zinc/58/64/86/1133586486.db2.gz ATEIRVWRQCOSBO-RDJZCZTQSA-N 2 1 282.447 3.522 20 0 CHADMP CC(C)Cc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1 ZINC001205571578 1133589184 /nfs/dbraw/zinc/58/91/84/1133589184.db2.gz VFIUJYIZQMCGKF-GOSISDBHSA-N 2 1 292.442 3.538 20 0 CHADMP C[C@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)CC[C@H]1C[NH3+] ZINC001205605052 1133593845 /nfs/dbraw/zinc/59/38/45/1133593845.db2.gz YTSRLAGPWLPZGD-HOCLYGCPSA-N 2 1 294.870 3.579 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2ccc(F)c(C3CC3)c2)CC[C@H]1C[NH3+] ZINC001205655168 1133599828 /nfs/dbraw/zinc/59/98/28/1133599828.db2.gz YXUAGNWVFAZVLD-BBRMVZONSA-N 2 1 290.426 3.510 20 0 CHADMP CCCCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CCC ZINC001205717826 1133606360 /nfs/dbraw/zinc/60/63/60/1133606360.db2.gz TZAOIIJEYHZSGF-HOTGVXAUSA-N 2 1 254.462 3.809 20 0 CHADMP CCCCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CCC ZINC001205717826 1133606364 /nfs/dbraw/zinc/60/63/64/1133606364.db2.gz TZAOIIJEYHZSGF-HOTGVXAUSA-N 2 1 254.462 3.809 20 0 CHADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC001205901481 1133628596 /nfs/dbraw/zinc/62/85/96/1133628596.db2.gz COPXMNWIPLKQDH-JXFKEZNVSA-N 2 1 294.442 3.913 20 0 CHADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)c2ccccc12 ZINC001205903008 1133629144 /nfs/dbraw/zinc/62/91/44/1133629144.db2.gz MSGAWBXZRIQQNL-KBPBESRZSA-N 2 1 286.394 3.538 20 0 CHADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC001205912740 1133629724 /nfs/dbraw/zinc/62/97/24/1133629724.db2.gz BXAVZNUJXQTKIR-GOEBONIOSA-N 2 1 284.403 3.506 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205917430 1133630009 /nfs/dbraw/zinc/63/00/09/1133630009.db2.gz YOSVWKMBDXXAFQ-WBVHZDCISA-N 2 1 282.431 3.707 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](C[NH3+])[C@@H]3C)cc2)o1 ZINC001205916148 1133630347 /nfs/dbraw/zinc/63/03/47/1133630347.db2.gz SATSTEVUYZQQJB-MAUKXSAKSA-N 2 1 298.430 3.814 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c(C)c1Cl ZINC001205923048 1133630973 /nfs/dbraw/zinc/63/09/73/1133630973.db2.gz HGWAOEGSEICSTI-UONOGXRCSA-N 2 1 280.843 3.516 20 0 CHADMP CC(C)C[N@@H+](Cc1ccccc1)Cc1cccc(C[NH3+])c1 ZINC001205922946 1133631473 /nfs/dbraw/zinc/63/14/73/1133631473.db2.gz FBKGYUPBPCOWRU-UHFFFAOYSA-N 2 1 282.431 3.804 20 0 CHADMP [NH3+][C@@H]1CCCC[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001205930680 1133631732 /nfs/dbraw/zinc/63/17/32/1133631732.db2.gz CQZGRXNWXBLHNF-GOSISDBHSA-N 2 1 292.426 3.571 20 0 CHADMP [NH3+][C@@H]1CCCC[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001205930680 1133631734 /nfs/dbraw/zinc/63/17/34/1133631734.db2.gz CQZGRXNWXBLHNF-GOSISDBHSA-N 2 1 292.426 3.571 20 0 CHADMP Cc1ccc(-c2cccc(C[N@@H+]3CCCC[C@@H]([NH3+])C3)c2)cc1 ZINC001205939633 1133632921 /nfs/dbraw/zinc/63/29/21/1133632921.db2.gz SWNMWEPRNOYKAN-HXUWFJFHSA-N 2 1 294.442 3.975 20 0 CHADMP Cc1ccc(-c2cccc(C[N@H+]3CCCC[C@@H]([NH3+])C3)c2)cc1 ZINC001205939633 1133632926 /nfs/dbraw/zinc/63/29/26/1133632926.db2.gz SWNMWEPRNOYKAN-HXUWFJFHSA-N 2 1 294.442 3.975 20 0 CHADMP C[C@H]1C[N@@H+](CCCCCc2ccccc2)CCC[C@H]1C[NH3+] ZINC001205985303 1133638040 /nfs/dbraw/zinc/63/80/40/1133638040.db2.gz WYUWPUFOWCPZGU-HKUYNNGSSA-N 2 1 288.479 3.706 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2)CCC[C@@H]1C[NH3+] ZINC001205995992 1133639222 /nfs/dbraw/zinc/63/92/22/1133639222.db2.gz SWVKHYJHBLUXEC-NVXWUHKLSA-N 2 1 288.479 3.791 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001206012408 1133640916 /nfs/dbraw/zinc/64/09/16/1133640916.db2.gz LDWKVQAONWTUGS-QFBILLFUSA-N 2 1 288.479 3.836 20 0 CHADMP CCSc1ccccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206036513 1133646306 /nfs/dbraw/zinc/64/63/06/1133646306.db2.gz KNLFLRHVSVOGQT-CABCVRRESA-N 2 1 292.492 3.605 20 0 CHADMP C[C@@H]1CC[N@H+](Cc2ccccc2-c2ccccc2)C[C@H]1[NH3+] ZINC001206043679 1133647276 /nfs/dbraw/zinc/64/72/76/1133647276.db2.gz RBNPFCYHTCKLGG-DNVCBOLYSA-N 2 1 280.415 3.523 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2-c2ccccc2)C[C@H]1[NH3+] ZINC001206043679 1133647277 /nfs/dbraw/zinc/64/72/77/1133647277.db2.gz RBNPFCYHTCKLGG-DNVCBOLYSA-N 2 1 280.415 3.523 20 0 CHADMP CC(C)=CCCC1=CC[C@@H](C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC001206053221 1133650525 /nfs/dbraw/zinc/65/05/25/1133650525.db2.gz NSZMWWQBSUMOJK-KBAYOESNSA-N 2 1 276.468 3.738 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC001206084053 1133654571 /nfs/dbraw/zinc/65/45/71/1133654571.db2.gz CSZPPTJWZXQTGJ-IXDOHACOSA-N 2 1 268.489 3.911 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC001206084053 1133654574 /nfs/dbraw/zinc/65/45/74/1133654574.db2.gz CSZPPTJWZXQTGJ-IXDOHACOSA-N 2 1 268.489 3.911 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC001206127571 1133661166 /nfs/dbraw/zinc/66/11/66/1133661166.db2.gz ISJSUENRAMPRDG-CVEARBPZSA-N 2 1 294.458 3.857 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC001206127571 1133661170 /nfs/dbraw/zinc/66/11/70/1133661170.db2.gz ISJSUENRAMPRDG-CVEARBPZSA-N 2 1 294.458 3.857 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)CC1CCCC1 ZINC001206127851 1133661520 /nfs/dbraw/zinc/66/15/20/1133661520.db2.gz LQUZMONKOGMJCN-CABCVRRESA-N 2 1 254.462 3.665 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)CC1CCCC1 ZINC001206127851 1133661522 /nfs/dbraw/zinc/66/15/22/1133661522.db2.gz LQUZMONKOGMJCN-CABCVRRESA-N 2 1 254.462 3.665 20 0 CHADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccc2oc3ccccc3c2c1 ZINC001206258465 1133677611 /nfs/dbraw/zinc/67/76/11/1133677611.db2.gz ZVUMNQSCKDZBLE-AWEZNQCLSA-N 2 1 294.398 3.770 20 0 CHADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc2oc3ccccc3c2c1 ZINC001206258465 1133677614 /nfs/dbraw/zinc/67/76/14/1133677614.db2.gz ZVUMNQSCKDZBLE-AWEZNQCLSA-N 2 1 294.398 3.770 20 0 CHADMP CCC(C)(C)c1ccc(C[N@@H+]2CCC[NH2+]C[C@@H]2C)cc1 ZINC001206263420 1133678212 /nfs/dbraw/zinc/67/82/12/1133678212.db2.gz XFUCRIQOAFNFHV-HNNXBMFYSA-N 2 1 274.452 3.558 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CCC[NH2+]C[C@@H]2C)cc1 ZINC001206263420 1133678214 /nfs/dbraw/zinc/67/82/14/1133678214.db2.gz XFUCRIQOAFNFHV-HNNXBMFYSA-N 2 1 274.452 3.558 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@@H+](CCCc2ccccc2Cl)CC1 ZINC001206296333 1133685435 /nfs/dbraw/zinc/68/54/35/1133685435.db2.gz RBOAKVPQSNICSL-KRWDZBQOSA-N 2 1 294.870 3.724 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc3ccccc3c2)CC1 ZINC001206296768 1133685458 /nfs/dbraw/zinc/68/54/58/1133685458.db2.gz USYIYBDSQRSDEM-IBGZPJMESA-N 2 1 282.431 3.791 20 0 CHADMP Cc1ccc(Cl)cc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206318603 1133688883 /nfs/dbraw/zinc/68/88/83/1133688883.db2.gz RTDXSNQUAWDPER-MRXNPFEDSA-N 2 1 280.843 3.599 20 0 CHADMP CC1=CC[C@@H](CC[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)C1(C)C ZINC001206338252 1133691772 /nfs/dbraw/zinc/69/17/72/1133691772.db2.gz YQXWQXORFCIKSB-DOTOQJQBSA-N 2 1 282.447 3.522 20 0 CHADMP CC1=CC[C@@H](CC[N@H+]2CCCC[C@@](F)(C[NH3+])C2)C1(C)C ZINC001206338252 1133691773 /nfs/dbraw/zinc/69/17/73/1133691773.db2.gz YQXWQXORFCIKSB-DOTOQJQBSA-N 2 1 282.447 3.522 20 0 CHADMP CCn1ccc2ccc(C[N@H+]3CCCC[C@@](C)(C[NH3+])C3)cc21 ZINC001206548097 1133715681 /nfs/dbraw/zinc/71/56/81/1133715681.db2.gz GFPLPZOFUABRPN-IBGZPJMESA-N 2 1 299.462 3.612 20 0 CHADMP Cc1ccc([C@H](C)CC[N@H+]2CCCC[C@@](C)(C[NH3+])C2)o1 ZINC001206542248 1133715908 /nfs/dbraw/zinc/71/59/08/1133715908.db2.gz WFGZNSQTOOMFRA-PBHICJAKSA-N 2 1 278.440 3.533 20 0 CHADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001206572109 1133719999 /nfs/dbraw/zinc/71/99/99/1133719999.db2.gz AWJSYZOQKPYEIM-LJQANCHMSA-N 2 1 286.463 3.905 20 0 CHADMP Cc1cccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1C ZINC001206582000 1133721870 /nfs/dbraw/zinc/72/18/70/1133721870.db2.gz KZSCBXGDGCWKLW-GOSISDBHSA-N 2 1 274.452 3.656 20 0 CHADMP Cc1[nH]c2ccccc2c1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206584326 1133722251 /nfs/dbraw/zinc/72/22/51/1133722251.db2.gz YJLQSMYIALYBRS-INIZCTEOSA-N 2 1 299.462 3.829 20 0 CHADMP CC(C)[N@@H+](Cc1cccc2c1CCC2)[C@@H]1CCC[NH2+]CC1 ZINC001206607209 1133726935 /nfs/dbraw/zinc/72/69/35/1133726935.db2.gz XVZCZXZVSPJUJC-GOSISDBHSA-N 2 1 286.463 3.528 20 0 CHADMP C[C@H](CC[N@H+]1CCCC[C@H](C[NH3+])C1)CC(C)(C)C ZINC001206606455 1133727155 /nfs/dbraw/zinc/72/71/55/1133727155.db2.gz NOXNNASPNSHQMX-HUUCEWRRSA-N 2 1 254.462 3.510 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206616900 1133728340 /nfs/dbraw/zinc/72/83/40/1133728340.db2.gz SZRAARQXCOTBES-CQSZACIVSA-N 2 1 288.460 3.771 20 0 CHADMP CC(C)(C)c1cccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206624886 1133729358 /nfs/dbraw/zinc/72/93/58/1133729358.db2.gz ZOFJXWFOSMPSDB-INIZCTEOSA-N 2 1 274.452 3.545 20 0 CHADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1C[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001206761156 1133743338 /nfs/dbraw/zinc/74/33/38/1133743338.db2.gz VDYWENKSBOMRBF-LGWLGOQQSA-N 2 1 292.854 3.503 20 0 CHADMP CCC[N@@H+]1C[C@@H]2C[NH+](CC[C@H]3CC=C(C)C3(C)C)C[C@@H]2C1 ZINC001207274617 1133785061 /nfs/dbraw/zinc/78/50/61/1133785061.db2.gz DDRNFSHSERVDMF-FGTMMUONSA-N 2 1 290.495 3.643 20 0 CHADMP CCC[NH+]1C[C@@H]2C[N@@H+](CC[C@H]3CC=C(C)C3(C)C)C[C@@H]2C1 ZINC001207274617 1133785068 /nfs/dbraw/zinc/78/50/68/1133785068.db2.gz DDRNFSHSERVDMF-FGTMMUONSA-N 2 1 290.495 3.643 20 0 CHADMP CCC[NH+]1C[C@@H]2C[N@H+](CC[C@H]3CC=C(C)C3(C)C)C[C@@H]2C1 ZINC001207274617 1133785075 /nfs/dbraw/zinc/78/50/75/1133785075.db2.gz DDRNFSHSERVDMF-FGTMMUONSA-N 2 1 290.495 3.643 20 0 CHADMP CC1=CC[C@H](CC[N@H+](C)CC2CC[NH+](C)CC2)C1(C)C ZINC001207281106 1133787509 /nfs/dbraw/zinc/78/75/09/1133787509.db2.gz VXLHPOZNQHIZLE-QGZVFWFLSA-N 2 1 278.484 3.643 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001207287176 1133788854 /nfs/dbraw/zinc/78/88/54/1133788854.db2.gz YTZKKXYKASQAOQ-SFHVURJKSA-N 2 1 288.479 3.529 20 0 CHADMP CC[N@@H+](Cc1ccc(C)c(C)c1)CC(C)(C)C[NH+](C)C ZINC001207288462 1133788895 /nfs/dbraw/zinc/78/88/95/1133788895.db2.gz PJFZPUDLXZSVRJ-UHFFFAOYSA-N 2 1 276.468 3.713 20 0 CHADMP Cc1ccc([C@@H]2CCCC[N@H+]2CC2CC[NH2+]CC2)cc1C ZINC001207441024 1133801867 /nfs/dbraw/zinc/80/18/67/1133801867.db2.gz ORFSCQVBPSRTCZ-IBGZPJMESA-N 2 1 286.463 3.830 20 0 CHADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(C4CCCC4)c3)C[C@]2(C)C1 ZINC001207691396 1133839934 /nfs/dbraw/zinc/83/99/34/1133839934.db2.gz IWRWPAIAJWKXDZ-UXHICEINSA-N 2 1 298.474 3.728 20 0 CHADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(C4CCCC4)c3)C[C@]2(C)C1 ZINC001207691396 1133839938 /nfs/dbraw/zinc/83/99/38/1133839938.db2.gz IWRWPAIAJWKXDZ-UXHICEINSA-N 2 1 298.474 3.728 20 0 CHADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(C4CCCC4)c3)C[C@]2(C)C1 ZINC001207691396 1133839943 /nfs/dbraw/zinc/83/99/43/1133839943.db2.gz IWRWPAIAJWKXDZ-UXHICEINSA-N 2 1 298.474 3.728 20 0 CHADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(C4CCCC4)c3)C[C@]2(C)C1 ZINC001207691396 1133839949 /nfs/dbraw/zinc/83/99/49/1133839949.db2.gz IWRWPAIAJWKXDZ-UXHICEINSA-N 2 1 298.474 3.728 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC001207738560 1133843317 /nfs/dbraw/zinc/84/33/17/1133843317.db2.gz CYNWUIOHHWYATP-HZPDHXFCSA-N 2 1 268.489 3.722 20 0 CHADMP C[N@@H+](CCc1ccc(Cl)cc1)CC1(C)CC[NH+](C)CC1 ZINC001208113545 1133878225 /nfs/dbraw/zinc/87/82/25/1133878225.db2.gz LFPXLIFVEALGRV-UHFFFAOYSA-N 2 1 294.870 3.546 20 0 CHADMP Cc1ccc([C@H](C)CC[NH+]2CCC([NH+]3CCCC3)CC2)o1 ZINC001208152719 1133888435 /nfs/dbraw/zinc/88/84/35/1133888435.db2.gz VEVRGSZPVIXRES-OAHLLOKOSA-N 2 1 290.451 3.642 20 0 CHADMP C[C@H]1Cc2ccccc2C[N@H+]1CC1(C[NH+](C)C)CCCC1 ZINC001208187803 1133902727 /nfs/dbraw/zinc/90/27/27/1133902727.db2.gz PBGZVGZYMPYSRX-INIZCTEOSA-N 2 1 286.463 3.555 20 0 CHADMP C[NH+](C)CC1(C[N@H+]2CC[C@H]2c2ccccc2)CCCC1 ZINC001208186121 1133903495 /nfs/dbraw/zinc/90/34/95/1133903495.db2.gz MTTJYCWZKVSDPU-KRWDZBQOSA-N 2 1 272.436 3.555 20 0 CHADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2c2ccccc2Cl)C1 ZINC001208610194 1133920166 /nfs/dbraw/zinc/92/01/66/1133920166.db2.gz ZRIOCKRBWGIUNX-RHSMWYFYSA-N 2 1 292.854 3.819 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2c2ccccc2Cl)C1 ZINC001208610194 1133920169 /nfs/dbraw/zinc/92/01/69/1133920169.db2.gz ZRIOCKRBWGIUNX-RHSMWYFYSA-N 2 1 292.854 3.819 20 0 CHADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)C1 ZINC001208610194 1133920173 /nfs/dbraw/zinc/92/01/73/1133920173.db2.gz ZRIOCKRBWGIUNX-RHSMWYFYSA-N 2 1 292.854 3.819 20 0 CHADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2ccccc2Cl)C1 ZINC001208610194 1133920175 /nfs/dbraw/zinc/92/01/75/1133920175.db2.gz ZRIOCKRBWGIUNX-RHSMWYFYSA-N 2 1 292.854 3.819 20 0 CHADMP CC(C)CCC[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001208733283 1133938078 /nfs/dbraw/zinc/93/80/78/1133938078.db2.gz ABMKWSLZKRIAHL-HOTGVXAUSA-N 2 1 292.492 3.548 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)CCc1ccc(Cl)cc1 ZINC001208743623 1133939010 /nfs/dbraw/zinc/93/90/10/1133939010.db2.gz XZYLEULNOWZRGG-UHFFFAOYSA-N 2 1 282.859 3.546 20 0 CHADMP C[N@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)C(C)(C)C ZINC001208931650 1133965018 /nfs/dbraw/zinc/96/50/18/1133965018.db2.gz BUASXUHGLDVXCY-KRWDZBQOSA-N 2 1 274.452 3.629 20 0 CHADMP C[N@@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)C(C)(C)C ZINC001208931650 1133965021 /nfs/dbraw/zinc/96/50/21/1133965021.db2.gz BUASXUHGLDVXCY-KRWDZBQOSA-N 2 1 274.452 3.629 20 0 CHADMP C[NH+](C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC001208931650 1133965024 /nfs/dbraw/zinc/96/50/24/1133965024.db2.gz BUASXUHGLDVXCY-KRWDZBQOSA-N 2 1 274.452 3.629 20 0 CHADMP C[NH+](C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC001208931650 1133965028 /nfs/dbraw/zinc/96/50/28/1133965028.db2.gz BUASXUHGLDVXCY-KRWDZBQOSA-N 2 1 274.452 3.629 20 0 CHADMP CC[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208954554 1133965482 /nfs/dbraw/zinc/96/54/82/1133965482.db2.gz WJFJQENMVXGQHL-MJGOQNOKSA-N 2 1 286.463 3.631 20 0 CHADMP CC[C@@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208954554 1133965486 /nfs/dbraw/zinc/96/54/86/1133965486.db2.gz WJFJQENMVXGQHL-MJGOQNOKSA-N 2 1 286.463 3.631 20 0 CHADMP CC[C@@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208954554 1133965493 /nfs/dbraw/zinc/96/54/93/1133965493.db2.gz WJFJQENMVXGQHL-MJGOQNOKSA-N 2 1 286.463 3.631 20 0 CHADMP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC34CC4)C2)cc1 ZINC001208933225 1133966980 /nfs/dbraw/zinc/96/69/80/1133966980.db2.gz UYVNHVLIQBSYMK-GOSISDBHSA-N 2 1 284.447 3.527 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC34CC4)C2)cc1 ZINC001208933225 1133966983 /nfs/dbraw/zinc/96/69/83/1133966983.db2.gz UYVNHVLIQBSYMK-GOSISDBHSA-N 2 1 284.447 3.527 20 0 CHADMP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC34CC4)C2)cc1 ZINC001208933225 1133966990 /nfs/dbraw/zinc/96/69/90/1133966990.db2.gz UYVNHVLIQBSYMK-GOSISDBHSA-N 2 1 284.447 3.527 20 0 CHADMP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC34CC4)C2)cc1 ZINC001208933225 1133966993 /nfs/dbraw/zinc/96/69/93/1133966993.db2.gz UYVNHVLIQBSYMK-GOSISDBHSA-N 2 1 284.447 3.527 20 0 CHADMP CC(C)[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208948232 1133967175 /nfs/dbraw/zinc/96/71/75/1133967175.db2.gz FRZNBNMSDBWBOU-IBGZPJMESA-N 2 1 286.463 3.629 20 0 CHADMP CC(C)[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208948232 1133967178 /nfs/dbraw/zinc/96/71/78/1133967178.db2.gz FRZNBNMSDBWBOU-IBGZPJMESA-N 2 1 286.463 3.629 20 0 CHADMP CC(C)[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208948232 1133967183 /nfs/dbraw/zinc/96/71/83/1133967183.db2.gz FRZNBNMSDBWBOU-IBGZPJMESA-N 2 1 286.463 3.629 20 0 CHADMP CC(C)[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208948232 1133967185 /nfs/dbraw/zinc/96/71/85/1133967185.db2.gz FRZNBNMSDBWBOU-IBGZPJMESA-N 2 1 286.463 3.629 20 0 CHADMP C[C@H]1CCCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208948251 1133967372 /nfs/dbraw/zinc/96/73/72/1133967372.db2.gz PBYIROXJPHTKRQ-PKOBYXMFSA-N 2 1 286.463 3.631 20 0 CHADMP C[C@H]1CCCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208948251 1133967374 /nfs/dbraw/zinc/96/73/74/1133967374.db2.gz PBYIROXJPHTKRQ-PKOBYXMFSA-N 2 1 286.463 3.631 20 0 CHADMP C[C@H]1CCCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208948251 1133967378 /nfs/dbraw/zinc/96/73/78/1133967378.db2.gz PBYIROXJPHTKRQ-PKOBYXMFSA-N 2 1 286.463 3.631 20 0 CHADMP CC[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208936178 1133967816 /nfs/dbraw/zinc/96/78/16/1133967816.db2.gz NOJLCKHAPQSMAQ-WMZOPIPTSA-N 2 1 274.452 3.629 20 0 CHADMP CC[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208936178 1133967820 /nfs/dbraw/zinc/96/78/20/1133967820.db2.gz NOJLCKHAPQSMAQ-WMZOPIPTSA-N 2 1 274.452 3.629 20 0 CHADMP CC[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208936178 1133967824 /nfs/dbraw/zinc/96/78/24/1133967824.db2.gz NOJLCKHAPQSMAQ-WMZOPIPTSA-N 2 1 274.452 3.629 20 0 CHADMP CC[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208936178 1133967828 /nfs/dbraw/zinc/96/78/28/1133967828.db2.gz NOJLCKHAPQSMAQ-WMZOPIPTSA-N 2 1 274.452 3.629 20 0 CHADMP C[C@@H]1CCCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208948246 1133968179 /nfs/dbraw/zinc/96/81/79/1133968179.db2.gz PBYIROXJPHTKRQ-IEBWSBKVSA-N 2 1 286.463 3.631 20 0 CHADMP C[C@@H]1CCCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208948246 1133968181 /nfs/dbraw/zinc/96/81/81/1133968181.db2.gz PBYIROXJPHTKRQ-IEBWSBKVSA-N 2 1 286.463 3.631 20 0 CHADMP C[C@@H]1CCCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208948246 1133968187 /nfs/dbraw/zinc/96/81/87/1133968187.db2.gz PBYIROXJPHTKRQ-IEBWSBKVSA-N 2 1 286.463 3.631 20 0 CHADMP CC(C)[N@@H+](CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC001209447932 1134024654 /nfs/dbraw/zinc/02/46/54/1134024654.db2.gz HKSIKTSIXPSURA-UHFFFAOYSA-N 2 1 274.452 3.773 20 0 CHADMP C[C@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2)CC[NH2+]1 ZINC001210496086 1134229571 /nfs/dbraw/zinc/22/95/71/1134229571.db2.gz CVGZJTNATOAFFA-INIZCTEOSA-N 2 1 280.415 3.537 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2)CC[NH2+]1 ZINC001210496086 1134229579 /nfs/dbraw/zinc/22/95/79/1134229579.db2.gz CVGZJTNATOAFFA-INIZCTEOSA-N 2 1 280.415 3.537 20 0 CHADMP Cc1cn2cc(NC3=CC[C@H]([NH+]4CCCC4)CC3)ccc2[nH+]1 ZINC001210705089 1134275709 /nfs/dbraw/zinc/27/57/09/1134275709.db2.gz AIORRTYXMAZJBP-KRWDZBQOSA-N 2 1 296.418 3.587 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309636974 1135089402 /nfs/dbraw/zinc/08/94/02/1135089402.db2.gz ABMMXQFYVWQLAE-QRQLOZEOSA-N 2 1 286.463 3.677 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222142248 1135199615 /nfs/dbraw/zinc/19/96/15/1135199615.db2.gz ZCJTYMYNQMXMLU-CWIOURORSA-N 2 1 264.457 3.589 20 0 CHADMP CCCCc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)s1 ZINC001222147808 1135200008 /nfs/dbraw/zinc/20/00/08/1135200008.db2.gz BAZZPJWRYPAGNC-QGZVFWFLSA-N 2 1 292.492 3.666 20 0 CHADMP C1=CC[C@@H](C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CC1 ZINC001222154833 1135201019 /nfs/dbraw/zinc/20/10/19/1135201019.db2.gz RMXAJEUTZMHXIJ-QZTJIDSGSA-N 2 1 276.468 3.589 20 0 CHADMP C(C1CCCCC1)[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222154069 1135201294 /nfs/dbraw/zinc/20/12/94/1135201294.db2.gz FDUAEGYVBDJNHZ-GOSISDBHSA-N 2 1 278.484 3.813 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222232518 1135210868 /nfs/dbraw/zinc/21/08/68/1135210868.db2.gz VVAFFQJRHOLYCZ-ROUUACIJSA-N 2 1 278.484 3.977 20 0 CHADMP CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222237148 1135212734 /nfs/dbraw/zinc/21/27/34/1135212734.db2.gz FGHCWAGTSWLFRK-LJQANCHMSA-N 2 1 286.463 3.702 20 0 CHADMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222237148 1135212737 /nfs/dbraw/zinc/21/27/37/1135212737.db2.gz FGHCWAGTSWLFRK-LJQANCHMSA-N 2 1 286.463 3.702 20 0 CHADMP CC(C)c1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222237428 1135212824 /nfs/dbraw/zinc/21/28/24/1135212824.db2.gz JCLSZJZIBJAXNE-GOSISDBHSA-N 2 1 272.436 3.528 20 0 CHADMP CC(C)c1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222237428 1135212828 /nfs/dbraw/zinc/21/28/28/1135212828.db2.gz JCLSZJZIBJAXNE-GOSISDBHSA-N 2 1 272.436 3.528 20 0 CHADMP Cc1ccc([C@@H](C)CC[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)o1 ZINC001222259052 1135215852 /nfs/dbraw/zinc/21/58/52/1135215852.db2.gz JIFPFNJSCFKBML-MAUKXSAKSA-N 2 1 290.451 3.547 20 0 CHADMP CCCC[C@@H](CC)C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222310445 1135222882 /nfs/dbraw/zinc/22/28/82/1135222882.db2.gz VQHLDGSDJNCHFE-IAGOWNOFSA-N 2 1 266.473 3.811 20 0 CHADMP Cc1ccc([C@H](C)CC[N@H+]2CCC[C@]23CCC[NH2+]CC3)o1 ZINC001222310425 1135223095 /nfs/dbraw/zinc/22/30/95/1135223095.db2.gz UYSRBBLNKQPSAF-QAPCUYQASA-N 2 1 290.451 3.690 20 0 CHADMP c1oc2ccccc2c1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222316400 1135224887 /nfs/dbraw/zinc/22/48/87/1135224887.db2.gz VTCWSDQEAUCAFY-GOSISDBHSA-N 2 1 284.403 3.541 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222346714 1135229644 /nfs/dbraw/zinc/22/96/44/1135229644.db2.gz RRNCLJMYUQXOMK-SJORKVTESA-N 2 1 264.457 3.587 20 0 CHADMP c1ccc(C2(C[N@@H+]3CCC[C@@]4(CCC[NH2+]4)C3)CCCC2)cc1 ZINC001222346730 1135229814 /nfs/dbraw/zinc/22/98/14/1135229814.db2.gz RZBPNIUAXZCEEK-FQEVSTJZSA-N 2 1 298.474 3.716 20 0 CHADMP c1ccc(C2(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)C3)CCCC2)cc1 ZINC001222346730 1135229820 /nfs/dbraw/zinc/22/98/20/1135229820.db2.gz RZBPNIUAXZCEEK-FQEVSTJZSA-N 2 1 298.474 3.716 20 0 CHADMP c1ccc(CCCCC[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001222420463 1135239425 /nfs/dbraw/zinc/23/94/25/1135239425.db2.gz CYAZBKNCQYNVFJ-LJQANCHMSA-N 2 1 286.463 3.617 20 0 CHADMP c1ccc(CCCCC[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001222420463 1135239428 /nfs/dbraw/zinc/23/94/28/1135239428.db2.gz CYAZBKNCQYNVFJ-LJQANCHMSA-N 2 1 286.463 3.617 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000321003364 1135359378 /nfs/dbraw/zinc/35/93/78/1135359378.db2.gz ZYMRLNXHMUXEAM-UHFFFAOYSA-N 2 1 291.398 3.648 20 0 CHADMP CCCC[NH+](CCCC)CCCO[C@@H]1CC[N@H+](C(C)C)C1 ZINC001224756433 1135478830 /nfs/dbraw/zinc/47/88/30/1135478830.db2.gz XMDOWJLCHOXODB-GOSISDBHSA-N 2 1 298.515 3.778 20 0 CHADMP CCCC[NH+](CCCC)CCCO[C@H]1CC[N@H+](C(C)C)C1 ZINC001224756435 1135478988 /nfs/dbraw/zinc/47/89/88/1135478988.db2.gz XMDOWJLCHOXODB-SFHVURJKSA-N 2 1 298.515 3.778 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(C)o1 ZINC000037786527 260118243 /nfs/dbraw/zinc/11/82/43/260118243.db2.gz TYIQLHKFNGDVGN-CYBMUJFWSA-N 2 1 278.440 3.810 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3sccc32)[C@@H]2CCC[C@H]21 ZINC000353668104 529807114 /nfs/dbraw/zinc/80/71/14/529807114.db2.gz FTDGOSHKNZVOQN-DRPJVOAASA-N 2 1 290.476 3.588 20 0 CHADMP C[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C)c1cccc(Cl)c1 ZINC000574846847 335052105 /nfs/dbraw/zinc/05/21/05/335052105.db2.gz VALDJTLWCIGESG-CKEIUWERSA-N 2 1 294.870 3.716 20 0 CHADMP C[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C)c1cccc(Cl)c1 ZINC000574846847 335052106 /nfs/dbraw/zinc/05/21/06/335052106.db2.gz VALDJTLWCIGESG-CKEIUWERSA-N 2 1 294.870 3.716 20 0 CHADMP C[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C)c1cccc(Cl)c1 ZINC000574846847 335052107 /nfs/dbraw/zinc/05/21/07/335052107.db2.gz VALDJTLWCIGESG-CKEIUWERSA-N 2 1 294.870 3.716 20 0 CHADMP C[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C)c1cccc(Cl)c1 ZINC000574846847 335052108 /nfs/dbraw/zinc/05/21/08/335052108.db2.gz VALDJTLWCIGESG-CKEIUWERSA-N 2 1 294.870 3.716 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000341890013 130115268 /nfs/dbraw/zinc/11/52/68/130115268.db2.gz FSKXIOBUERLXEJ-STQMWFEESA-N 2 1 289.398 3.844 20 0 CHADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cccc(Cl)c2)CC1 ZINC000020124170 171006599 /nfs/dbraw/zinc/00/65/99/171006599.db2.gz AFEHQZWBXQZCOX-ZDUSSCGKSA-N 2 1 280.843 3.863 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c(C)s1 ZINC000020189487 171055413 /nfs/dbraw/zinc/05/54/13/171055413.db2.gz QDFJNZZUEPIAKW-CYBMUJFWSA-N 2 1 280.481 3.888 20 0 CHADMP CCCCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000078775213 177386040 /nfs/dbraw/zinc/38/60/40/177386040.db2.gz UEZDVZOPGUTSGG-DLBZAZTESA-N 2 1 266.473 3.763 20 0 CHADMP CCCCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000078775213 177386041 /nfs/dbraw/zinc/38/60/41/177386041.db2.gz UEZDVZOPGUTSGG-DLBZAZTESA-N 2 1 266.473 3.763 20 0 CHADMP CCCCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000078775213 177386042 /nfs/dbraw/zinc/38/60/42/177386042.db2.gz UEZDVZOPGUTSGG-DLBZAZTESA-N 2 1 266.473 3.763 20 0 CHADMP Cc1ccccc1[C@@H](CC(C)C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344300787 225021057 /nfs/dbraw/zinc/02/10/57/225021057.db2.gz QMIXOOKKONPRAJ-LJQANCHMSA-N 2 1 286.463 3.934 20 0 CHADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000347173520 226069075 /nfs/dbraw/zinc/06/90/75/226069075.db2.gz OZFBPHRMVBUPBD-HNNXBMFYSA-N 2 1 298.405 3.663 20 0 CHADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000347173520 226069077 /nfs/dbraw/zinc/06/90/77/226069077.db2.gz OZFBPHRMVBUPBD-HNNXBMFYSA-N 2 1 298.405 3.663 20 0 CHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCc3occc32)C1 ZINC000192677685 227261778 /nfs/dbraw/zinc/26/17/78/227261778.db2.gz JTMBPZWVAHTFEE-DOTOQJQBSA-N 2 1 290.451 3.759 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]C1CCC2(CCCC2)CC1 ZINC000352825930 227289826 /nfs/dbraw/zinc/28/98/26/227289826.db2.gz UQMSTUAZMCEVFQ-UHFFFAOYSA-N 2 1 275.440 3.674 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000037649141 260115195 /nfs/dbraw/zinc/11/51/95/260115195.db2.gz MBWCJTLJAHBZCI-DYVFJYSZSA-N 2 1 292.854 3.865 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000037649140 260115526 /nfs/dbraw/zinc/11/55/26/260115526.db2.gz MBWCJTLJAHBZCI-SUMWQHHRSA-N 2 1 292.854 3.865 20 0 CHADMP C[NH2+]C[C@H]1CC[N@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000071146414 260159765 /nfs/dbraw/zinc/15/97/65/260159765.db2.gz WKWJYJPLMXKEMI-LLVKDONJSA-N 2 1 294.851 3.596 20 0 CHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000071146414 260159766 /nfs/dbraw/zinc/15/97/66/260159766.db2.gz WKWJYJPLMXKEMI-LLVKDONJSA-N 2 1 294.851 3.596 20 0 CHADMP C[N@H+](CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CCCC1 ZINC000222447472 260220414 /nfs/dbraw/zinc/22/04/14/260220414.db2.gz FANOSNOPINGPIO-CHWSQXEVSA-N 2 1 292.389 3.572 20 0 CHADMP C[N@@H+](CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CCCC1 ZINC000222447472 260220415 /nfs/dbraw/zinc/22/04/15/260220415.db2.gz FANOSNOPINGPIO-CHWSQXEVSA-N 2 1 292.389 3.572 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000091959942 260267397 /nfs/dbraw/zinc/26/73/97/260267397.db2.gz GPADXURDIJDRIU-KCXAZCMYSA-N 2 1 280.843 3.863 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000091959942 260267398 /nfs/dbraw/zinc/26/73/98/260267398.db2.gz GPADXURDIJDRIU-KCXAZCMYSA-N 2 1 280.843 3.863 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000094021611 260343061 /nfs/dbraw/zinc/34/30/61/260343061.db2.gz QMUMEBMSSTVKQA-CYBMUJFWSA-N 2 1 292.854 3.865 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc21 ZINC000126784516 260358204 /nfs/dbraw/zinc/35/82/04/260358204.db2.gz WAESCGOZOUAQAS-ADAWSYLGSA-N 2 1 272.436 3.697 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc21 ZINC000126784516 260358206 /nfs/dbraw/zinc/35/82/06/260358206.db2.gz WAESCGOZOUAQAS-ADAWSYLGSA-N 2 1 272.436 3.697 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)s1 ZINC000152469372 261064331 /nfs/dbraw/zinc/06/43/31/261064331.db2.gz NEXNQJWPZAZJCI-AAEUAGOBSA-N 2 1 298.883 3.927 20 0 CHADMP Cc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cs1 ZINC000449047089 261126409 /nfs/dbraw/zinc/12/64/09/261126409.db2.gz MVHHGDHDJXBHJR-WBVHZDCISA-N 2 1 290.476 3.505 20 0 CHADMP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cs1 ZINC000449047089 261126411 /nfs/dbraw/zinc/12/64/11/261126411.db2.gz MVHHGDHDJXBHJR-WBVHZDCISA-N 2 1 290.476 3.505 20 0 CHADMP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cs1 ZINC000449047089 261126412 /nfs/dbraw/zinc/12/64/12/261126412.db2.gz MVHHGDHDJXBHJR-WBVHZDCISA-N 2 1 290.476 3.505 20 0 CHADMP Cc1cc[nH+]c(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000301644194 261338614 /nfs/dbraw/zinc/33/86/14/261338614.db2.gz NBXXGZLKPPQEKJ-WMZOPIPTSA-N 2 1 295.430 3.713 20 0 CHADMP Cc1cc[nH+]c(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000301644194 261338617 /nfs/dbraw/zinc/33/86/17/261338617.db2.gz NBXXGZLKPPQEKJ-WMZOPIPTSA-N 2 1 295.430 3.713 20 0 CHADMP Cc1cc(NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000302551327 261353806 /nfs/dbraw/zinc/35/38/06/261353806.db2.gz IHWQWWVCAUDDAU-INIZCTEOSA-N 2 1 283.419 3.713 20 0 CHADMP Cc1ccsc1[C@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000164636682 261355970 /nfs/dbraw/zinc/35/59/70/261355970.db2.gz IKFJWXRVJDGVJX-ZDUSSCGKSA-N 2 1 277.437 3.692 20 0 CHADMP c1sc2ccccc2c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106869063 261374580 /nfs/dbraw/zinc/37/45/80/261374580.db2.gz HUVBFNIBVPMKKM-LSDHHAIUSA-N 2 1 286.444 3.618 20 0 CHADMP Cc1oc2ccccc2c1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000184724285 262027870 /nfs/dbraw/zinc/02/78/70/262027870.db2.gz UCYVCZOXJUJGEY-GDZNZVCISA-N 2 1 286.419 3.560 20 0 CHADMP Cc1oc2ccccc2c1C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000184724339 262028131 /nfs/dbraw/zinc/02/81/31/262028131.db2.gz UCYVCZOXJUJGEY-AHIWAGSCSA-N 2 1 286.419 3.560 20 0 CHADMP Cc1ccc([C@H]([NH2+]C2CC[NH+](C)CC2)C2CCC2)cc1 ZINC000186947025 262117692 /nfs/dbraw/zinc/11/76/92/262117692.db2.gz MHXMLMDYSZJVHJ-GOSISDBHSA-N 2 1 272.436 3.520 20 0 CHADMP Cc1cccc(N2CCC([NH2+][C@H]3CCC[C@H]3C3CC3)CC2)[nH+]1 ZINC000497398581 262154973 /nfs/dbraw/zinc/15/49/73/262154973.db2.gz GCVVSMIAFPMWIK-ROUUACIJSA-N 2 1 299.462 3.527 20 0 CHADMP C[C@H](NCCC[N@@H+](C)C1CCCCC1)c1cncc(F)c1 ZINC000120776679 262229826 /nfs/dbraw/zinc/22/98/26/262229826.db2.gz CQNQJXZXVFLHQV-AWEZNQCLSA-N 2 1 293.430 3.526 20 0 CHADMP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1cncc(F)c1 ZINC000120776679 262229828 /nfs/dbraw/zinc/22/98/28/262229828.db2.gz CQNQJXZXVFLHQV-AWEZNQCLSA-N 2 1 293.430 3.526 20 0 CHADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cncc(F)c1 ZINC000120776679 262229829 /nfs/dbraw/zinc/22/98/29/262229829.db2.gz CQNQJXZXVFLHQV-AWEZNQCLSA-N 2 1 293.430 3.526 20 0 CHADMP CC(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390730135 262248088 /nfs/dbraw/zinc/24/80/88/262248088.db2.gz NBEGSIWBFMTUSX-KRWDZBQOSA-N 2 1 274.452 3.533 20 0 CHADMP CC(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390730135 262248089 /nfs/dbraw/zinc/24/80/89/262248089.db2.gz NBEGSIWBFMTUSX-KRWDZBQOSA-N 2 1 274.452 3.533 20 0 CHADMP C1=C[C@H]([NH+]2CCC([NH+]3CCCCC3)CC2)CCCCC1 ZINC000521413946 262317100 /nfs/dbraw/zinc/31/71/00/262317100.db2.gz FQQRZUTXHXCICO-KRWDZBQOSA-N 2 1 276.468 3.826 20 0 CHADMP Cc1cc(C)cc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)c1 ZINC000221908848 262322898 /nfs/dbraw/zinc/32/28/98/262322898.db2.gz QXMSLETVHAJHDZ-MRXNPFEDSA-N 2 1 262.441 3.684 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000488449050 262324615 /nfs/dbraw/zinc/32/46/15/262324615.db2.gz OMGVIBYKJAIXSW-PMPSAXMXSA-N 2 1 298.540 3.617 20 0 CHADMP CCCOc1ccc([C@@H](C)NCCC[N@@H+](C)C(C)C)cc1 ZINC000221927098 262327950 /nfs/dbraw/zinc/32/79/50/262327950.db2.gz BDRFDEDLIVPCSL-MRXNPFEDSA-N 2 1 292.467 3.856 20 0 CHADMP CCCOc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000221927098 262327951 /nfs/dbraw/zinc/32/79/51/262327951.db2.gz BDRFDEDLIVPCSL-MRXNPFEDSA-N 2 1 292.467 3.856 20 0 CHADMP CCCOc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000221927098 262327952 /nfs/dbraw/zinc/32/79/52/262327952.db2.gz BDRFDEDLIVPCSL-MRXNPFEDSA-N 2 1 292.467 3.856 20 0 CHADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(Cl)c(Cl)c3)C[C@H]21 ZINC000228472308 262339122 /nfs/dbraw/zinc/33/91/22/262339122.db2.gz WPALSLPEZCWDHO-YWPYICTPSA-N 2 1 299.245 3.553 20 0 CHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(Cl)c(Cl)c3)C[C@H]21 ZINC000228472308 262339124 /nfs/dbraw/zinc/33/91/24/262339124.db2.gz WPALSLPEZCWDHO-YWPYICTPSA-N 2 1 299.245 3.553 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000319700957 262350980 /nfs/dbraw/zinc/35/09/80/262350980.db2.gz TWZTVUHRUZIFTK-OXJNMPFZSA-N 2 1 294.442 3.783 20 0 CHADMP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc(F)c(F)c1 ZINC000021505724 262389823 /nfs/dbraw/zinc/38/98/23/262389823.db2.gz DOFYUOBPIKBLKL-AWEZNQCLSA-N 2 1 296.405 3.737 20 0 CHADMP Cc1cc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc(C)c1F ZINC000414177069 262814788 /nfs/dbraw/zinc/81/47/88/262814788.db2.gz JLIQHGGMTGZLEF-JKSUJKDBSA-N 2 1 292.442 3.825 20 0 CHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4)o3)C[C@@H]21 ZINC000414671234 263029389 /nfs/dbraw/zinc/02/93/89/263029389.db2.gz NLEQZFIRDKOCOD-RYQLBKOJSA-N 2 1 296.414 3.506 20 0 CHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4)o3)C[C@H]21 ZINC000414671231 263029466 /nfs/dbraw/zinc/02/94/66/263029466.db2.gz NLEQZFIRDKOCOD-KBAYOESNSA-N 2 1 296.414 3.506 20 0 CHADMP Cc1ccc(C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C(C)C)s1 ZINC000414699425 263033192 /nfs/dbraw/zinc/03/31/92/263033192.db2.gz YOIWCKKZIJWIDC-DZGCQCFKSA-N 2 1 280.481 3.655 20 0 CHADMP Cc1cc2cc(C[N@H+](C)[C@H]3CCC[NH2+]CC3)oc2cc1C ZINC000414759052 263039643 /nfs/dbraw/zinc/03/96/43/263039643.db2.gz ZLAUXPCNIARVDZ-INIZCTEOSA-N 2 1 286.419 3.624 20 0 CHADMP [NH3+]C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)C1CCCCC1 ZINC000414830613 263056396 /nfs/dbraw/zinc/05/63/96/263056396.db2.gz BEBIFDGGRCGPHS-JXQTWKCFSA-N 2 1 292.389 3.605 20 0 CHADMP CC(C)C[C@@H](C[NH3+])[NH2+]C1CCC(c2ccccc2)CC1 ZINC000414851009 263058187 /nfs/dbraw/zinc/05/81/87/263058187.db2.gz OHLGANQFJXYXEI-ABHNRTSZSA-N 2 1 274.452 3.676 20 0 CHADMP C[C@H](CCCC(F)(F)F)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414842247 263058480 /nfs/dbraw/zinc/05/84/80/263058480.db2.gz OESBALMSUROEPM-YPMHNXCESA-N 2 1 280.378 3.605 20 0 CHADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)CC(C)(C)c1ccccc1 ZINC000414851844 263068367 /nfs/dbraw/zinc/06/83/67/263068367.db2.gz PVSUETNMERKZBZ-WBVHZDCISA-N 2 1 276.468 3.706 20 0 CHADMP C[C@@H](CCc1ccc(F)cc1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414855087 263071667 /nfs/dbraw/zinc/07/16/67/263071667.db2.gz WDEIBWWTCFDBFS-KSSFIOAISA-N 2 1 292.442 3.644 20 0 CHADMP C[C@H](C[NH3+])[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000414928733 263133914 /nfs/dbraw/zinc/13/39/14/263133914.db2.gz MLHSRQNKFYEYRB-SNVBAGLBSA-N 2 1 280.824 3.505 20 0 CHADMP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1Cl ZINC000415037640 263257198 /nfs/dbraw/zinc/25/71/98/263257198.db2.gz GXWQGOYLWYLEGX-RDJZCZTQSA-N 2 1 292.854 3.612 20 0 CHADMP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1Cl ZINC000415037640 263257199 /nfs/dbraw/zinc/25/71/99/263257199.db2.gz GXWQGOYLWYLEGX-RDJZCZTQSA-N 2 1 292.854 3.612 20 0 CHADMP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(C)c1 ZINC000453387042 263258813 /nfs/dbraw/zinc/25/88/13/263258813.db2.gz ARQWGZIWDDXAOY-SFHVURJKSA-N 2 1 274.452 3.910 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@H](C[NH3+])C2CCCC2)C1 ZINC000415072644 263262746 /nfs/dbraw/zinc/26/27/46/263262746.db2.gz YJGOGSXCNRHWOU-OTWHNJEPSA-N 2 1 286.463 3.604 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415086821 263271274 /nfs/dbraw/zinc/27/12/74/263271274.db2.gz SUPOYVGYWNCRCN-OTRWWLKZSA-N 2 1 260.425 3.504 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474816603 264217195 /nfs/dbraw/zinc/21/71/95/264217195.db2.gz LXECTYWJONGRCA-VWPFQQQWSA-N 2 1 294.870 3.904 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474816603 264217197 /nfs/dbraw/zinc/21/71/97/264217197.db2.gz LXECTYWJONGRCA-VWPFQQQWSA-N 2 1 294.870 3.904 20 0 CHADMP C[C@@H](C[NH2+][C@@H](C)c1csc(Cl)c1)C[NH+]1CCCC1 ZINC000191189144 265167139 /nfs/dbraw/zinc/16/71/39/265167139.db2.gz DDLLRYMCRGUGPN-RYUDHWBXSA-N 2 1 286.872 3.784 20 0 CHADMP Cc1occc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000358016658 266398440 /nfs/dbraw/zinc/39/84/40/266398440.db2.gz GMYQAOWAWHJVCO-ZDUSSCGKSA-N 2 1 295.386 3.933 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CC2(C)C)cc1 ZINC000358144389 266427788 /nfs/dbraw/zinc/42/77/88/266427788.db2.gz WELISONJJUXDGA-BBRMVZONSA-N 2 1 283.419 3.877 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)CCCC(F)(F)F ZINC000359623645 266608490 /nfs/dbraw/zinc/60/84/90/266608490.db2.gz VMZSUVRTXYZMIK-GFCCVEGCSA-N 2 1 291.361 3.682 20 0 CHADMP C[N@H+](CC[NH2+]C1CCC2(CC2)CC1)C1CCCCC1 ZINC000362931612 267063259 /nfs/dbraw/zinc/06/32/59/267063259.db2.gz RQWRCKVKMZQFDS-UHFFFAOYSA-N 2 1 264.457 3.563 20 0 CHADMP C[N@@H+](CC[NH2+]C1CCC2(CC2)CC1)C1CCCCC1 ZINC000362931612 267063262 /nfs/dbraw/zinc/06/32/62/267063262.db2.gz RQWRCKVKMZQFDS-UHFFFAOYSA-N 2 1 264.457 3.563 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1nccc2ccccc21 ZINC000368126689 267146466 /nfs/dbraw/zinc/14/64/66/267146466.db2.gz SVSCLYLGRLRQJZ-BHYGNILZSA-N 2 1 295.430 3.512 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1nccc2ccccc21 ZINC000368126689 267146468 /nfs/dbraw/zinc/14/64/68/267146468.db2.gz SVSCLYLGRLRQJZ-BHYGNILZSA-N 2 1 295.430 3.512 20 0 CHADMP CC[N@H+]1CC[C@H](NCc2ccc(-c3ccccc3)o2)[C@@H](C)C1 ZINC000531683892 328021087 /nfs/dbraw/zinc/02/10/87/328021087.db2.gz SEJBQIMSLBZVEA-YJBOKZPZSA-N 2 1 298.430 3.767 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3)o2)[C@@H](C)C1 ZINC000531683892 328021089 /nfs/dbraw/zinc/02/10/89/328021089.db2.gz SEJBQIMSLBZVEA-YJBOKZPZSA-N 2 1 298.430 3.767 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000041075209 328026563 /nfs/dbraw/zinc/02/65/63/328026563.db2.gz CTKHJMYHDKYEGI-APWZRJJASA-N 2 1 286.463 3.992 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000041075210 328026604 /nfs/dbraw/zinc/02/66/04/328026604.db2.gz CTKHJMYHDKYEGI-LPHOPBHVSA-N 2 1 286.463 3.992 20 0 CHADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc3ccccc3o2)C1 ZINC000531756900 328032168 /nfs/dbraw/zinc/03/21/68/328032168.db2.gz WBMGHZYRVHLSNB-INIZCTEOSA-N 2 1 298.430 3.597 20 0 CHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc3ccccc3o2)C1 ZINC000531756900 328032170 /nfs/dbraw/zinc/03/21/70/328032170.db2.gz WBMGHZYRVHLSNB-INIZCTEOSA-N 2 1 298.430 3.597 20 0 CHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000531756900 328032171 /nfs/dbraw/zinc/03/21/71/328032171.db2.gz WBMGHZYRVHLSNB-INIZCTEOSA-N 2 1 298.430 3.597 20 0 CHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000531756900 328032173 /nfs/dbraw/zinc/03/21/73/328032173.db2.gz WBMGHZYRVHLSNB-INIZCTEOSA-N 2 1 298.430 3.597 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000534236534 328039588 /nfs/dbraw/zinc/03/95/88/328039588.db2.gz XBNLCZSJHNNEEI-KRWDZBQOSA-N 2 1 292.854 3.791 20 0 CHADMP CCC[N@@H+](CCCn1ccnc1C)Cc1ccc(C)cc1 ZINC000534219430 328039774 /nfs/dbraw/zinc/03/97/74/328039774.db2.gz NXSHNXDXTZKMLA-UHFFFAOYSA-N 2 1 285.435 3.802 20 0 CHADMP CCC[N@H+](CCCn1cc[nH+]c1C)Cc1ccc(C)cc1 ZINC000534219430 328039775 /nfs/dbraw/zinc/03/97/75/328039775.db2.gz NXSHNXDXTZKMLA-UHFFFAOYSA-N 2 1 285.435 3.802 20 0 CHADMP CCC[N@@H+](CCCn1cc[nH+]c1C)Cc1ccc(C)cc1 ZINC000534219430 328039776 /nfs/dbraw/zinc/03/97/76/328039776.db2.gz NXSHNXDXTZKMLA-UHFFFAOYSA-N 2 1 285.435 3.802 20 0 CHADMP CC(C)[C@H](C)[NH+](C)CCCC[N@H+](C)[C@@H](C)C(C)C ZINC000534274711 328043225 /nfs/dbraw/zinc/04/32/25/328043225.db2.gz AIGWPYXPGPCZQH-HOTGVXAUSA-N 2 1 256.478 3.719 20 0 CHADMP C[C@H]1CC[C@@H](c2ccccc2)[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000563362433 328059033 /nfs/dbraw/zinc/05/90/33/328059033.db2.gz AJNASJYAPRRYLN-LPHOPBHVSA-N 2 1 297.446 3.826 20 0 CHADMP C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000563362433 328059034 /nfs/dbraw/zinc/05/90/34/328059034.db2.gz AJNASJYAPRRYLN-LPHOPBHVSA-N 2 1 297.446 3.826 20 0 CHADMP CC[N@@H+](C/C=C\c1ccc(F)cc1)CCC[NH+]1CCCC1 ZINC000571091296 328085873 /nfs/dbraw/zinc/08/58/73/328085873.db2.gz RMOMQPDGGDVWIF-ALCCZGGFSA-N 2 1 290.426 3.647 20 0 CHADMP CC[N@H+](C/C=C\c1ccc(F)cc1)CCC[NH+]1CCCC1 ZINC000571091296 328085874 /nfs/dbraw/zinc/08/58/74/328085874.db2.gz RMOMQPDGGDVWIF-ALCCZGGFSA-N 2 1 290.426 3.647 20 0 CHADMP Cc1occc1CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414388871 328160365 /nfs/dbraw/zinc/16/03/65/328160365.db2.gz NRPQACBAQBIZSH-SFHVURJKSA-N 2 1 298.430 3.542 20 0 CHADMP Cc1occc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000414388871 328160367 /nfs/dbraw/zinc/16/03/67/328160367.db2.gz NRPQACBAQBIZSH-SFHVURJKSA-N 2 1 298.430 3.542 20 0 CHADMP Cc1occc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000414388871 328160369 /nfs/dbraw/zinc/16/03/69/328160369.db2.gz NRPQACBAQBIZSH-SFHVURJKSA-N 2 1 298.430 3.542 20 0 CHADMP Cc1occc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414388871 328160370 /nfs/dbraw/zinc/16/03/70/328160370.db2.gz NRPQACBAQBIZSH-SFHVURJKSA-N 2 1 298.430 3.542 20 0 CHADMP Cc1occc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414388871 328160372 /nfs/dbraw/zinc/16/03/72/328160372.db2.gz NRPQACBAQBIZSH-SFHVURJKSA-N 2 1 298.430 3.542 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@H](C)c2c1cccc2C ZINC000271150735 328195525 /nfs/dbraw/zinc/19/55/25/328195525.db2.gz QJABCIXUZTXYFT-WMLDXEAASA-N 2 1 283.419 3.728 20 0 CHADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC000414696592 328214804 /nfs/dbraw/zinc/21/48/04/328214804.db2.gz GODYUUZTRXHPOS-SOUVJXGZSA-N 2 1 278.415 3.597 20 0 CHADMP C/C(Cl)=C\C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000528458033 328286913 /nfs/dbraw/zinc/28/69/13/328286913.db2.gz RIXLZJMWTITLJU-CSAIOVGYSA-N 2 1 292.854 3.629 20 0 CHADMP Cc1ccsc1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415084335 328302871 /nfs/dbraw/zinc/30/28/71/328302871.db2.gz OTUSGAHRCXOPPJ-HZPDHXFCSA-N 2 1 286.444 3.639 20 0 CHADMP c1ccc([C@@H](CC2CC2)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000531937766 328319645 /nfs/dbraw/zinc/31/96/45/328319645.db2.gz UDHUOACEFPSEIX-VQIMIIECSA-N 2 1 284.447 3.602 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](CC2CC2)c2ccccc2)CC1 ZINC000531931687 328320519 /nfs/dbraw/zinc/32/05/19/328320519.db2.gz IGKHUBMABDLGTR-GOSISDBHSA-N 2 1 272.436 3.602 20 0 CHADMP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2C)CC1)C(C)C ZINC000531954971 328329838 /nfs/dbraw/zinc/32/98/38/328329838.db2.gz UQVCKFFFEBOHSB-LJQANCHMSA-N 2 1 288.479 3.984 20 0 CHADMP C[C@@H]([C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000531970698 328358694 /nfs/dbraw/zinc/35/86/94/328358694.db2.gz KIUZLCKCUJHXTR-HRCADAONSA-N 2 1 266.473 3.523 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)C1 ZINC000534973198 328372265 /nfs/dbraw/zinc/37/22/65/328372265.db2.gz BZPBISDWAUXOKP-CXAGYDPISA-N 2 1 292.854 3.649 20 0 CHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc4ccccc43)CC[C@@H]21 ZINC000531988605 328383013 /nfs/dbraw/zinc/38/30/13/328383013.db2.gz LLLHCOHOUZQLPK-QUCCMNQESA-N 2 1 294.442 3.756 20 0 CHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc4ccccc43)CC[C@@H]21 ZINC000531988605 328383014 /nfs/dbraw/zinc/38/30/14/328383014.db2.gz LLLHCOHOUZQLPK-QUCCMNQESA-N 2 1 294.442 3.756 20 0 CHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc4ccccc43)CC[C@@H]21 ZINC000531988605 328383015 /nfs/dbraw/zinc/38/30/15/328383015.db2.gz LLLHCOHOUZQLPK-QUCCMNQESA-N 2 1 294.442 3.756 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccnc3ccccc23)CC1 ZINC000535069059 328383586 /nfs/dbraw/zinc/38/35/86/328383586.db2.gz SSUQWVLQXNXIFW-UHFFFAOYSA-N 2 1 297.446 3.539 20 0 CHADMP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000531993538 328385997 /nfs/dbraw/zinc/38/59/97/328385997.db2.gz BMPVFKSLKFIOHG-ARFHVFGLSA-N 2 1 290.451 3.527 20 0 CHADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCC[C@H](c2ccccc2)C1 ZINC000530460194 326812057 /nfs/dbraw/zinc/81/20/57/326812057.db2.gz TXTYWSKTOPZIGU-ROUUACIJSA-N 2 1 297.446 3.669 20 0 CHADMP C[C@H](c1cc(Cl)ccc1Cl)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261587464 327007651 /nfs/dbraw/zinc/00/76/51/327007651.db2.gz JLEXVVQOYFHVAR-YJKIEOBBSA-N 2 1 299.245 3.724 20 0 CHADMP C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261587464 327007653 /nfs/dbraw/zinc/00/76/53/327007653.db2.gz JLEXVVQOYFHVAR-YJKIEOBBSA-N 2 1 299.245 3.724 20 0 CHADMP CC1CCC([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000568930671 327024596 /nfs/dbraw/zinc/02/45/96/327024596.db2.gz ACVOWLPDUFCBIU-HPZPOOBXSA-N 2 1 266.473 3.523 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC2CC(c3ccccc3)C2)[C@@H](C)C1 ZINC000558967706 327135258 /nfs/dbraw/zinc/13/52/58/327135258.db2.gz AEYDOXZKOBXMEL-GSHBMFQSSA-N 2 1 286.463 3.500 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261567166 327142417 /nfs/dbraw/zinc/14/24/17/327142417.db2.gz HPUOHNFHOKPNHY-MGPQQGTHSA-N 2 1 280.843 3.721 20 0 CHADMP CCC[C@H](CC)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000559787440 327262105 /nfs/dbraw/zinc/26/21/05/327262105.db2.gz PIKDYXTUXSCNDH-BZSNNMDCSA-N 2 1 274.452 3.990 20 0 CHADMP CCC[C@H](CC)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000559787440 327262106 /nfs/dbraw/zinc/26/21/06/327262106.db2.gz PIKDYXTUXSCNDH-BZSNNMDCSA-N 2 1 274.452 3.990 20 0 CHADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC000109788504 327263953 /nfs/dbraw/zinc/26/39/53/327263953.db2.gz WPHNKYLZLNICTN-UHFFFAOYSA-N 2 1 280.843 3.646 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC000109788504 327263955 /nfs/dbraw/zinc/26/39/55/327263955.db2.gz WPHNKYLZLNICTN-UHFFFAOYSA-N 2 1 280.843 3.646 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)C[C@H]2c2ccccc2)[C@H]2CCC[C@H]21 ZINC000559880177 327266547 /nfs/dbraw/zinc/26/65/47/327266547.db2.gz FCUPDTRHHDGBPE-CXQPBAHBSA-N 2 1 298.474 3.643 20 0 CHADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCC[C@H]3F)CC2)C1 ZINC000559920475 327271921 /nfs/dbraw/zinc/27/19/21/327271921.db2.gz ZPSWHTJVTYNZGZ-SVGFKBNWSA-N 2 1 282.447 3.510 20 0 CHADMP CC[N@H+](CC[NH2+][C@H](C)CCc1ccc(F)cc1F)C(C)C ZINC000560526305 327319522 /nfs/dbraw/zinc/31/95/22/327319522.db2.gz BWJFAVQYLAZEOR-CQSZACIVSA-N 2 1 298.421 3.606 20 0 CHADMP CC[N@@H+](CC[NH2+][C@H](C)CCc1ccc(F)cc1F)C(C)C ZINC000560526305 327319523 /nfs/dbraw/zinc/31/95/23/327319523.db2.gz BWJFAVQYLAZEOR-CQSZACIVSA-N 2 1 298.421 3.606 20 0 CHADMP C[C@H]1C[C@@H]1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000560544045 327322679 /nfs/dbraw/zinc/32/26/79/327322679.db2.gz YWJRFOMEVXALOH-PKOBYXMFSA-N 2 1 298.474 3.631 20 0 CHADMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000560550154 327323737 /nfs/dbraw/zinc/32/37/37/327323737.db2.gz VAXHAPCYSUGSNW-LMSBXDPUSA-N 2 1 278.484 3.664 20 0 CHADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCC3CCCCCC3)C2)C1 ZINC000560594404 327329076 /nfs/dbraw/zinc/32/90/76/327329076.db2.gz IPDZBYHZQBCKEN-GOSISDBHSA-N 2 1 278.484 3.765 20 0 CHADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCC3CCCCCC3)C2)C1 ZINC000560594404 327329078 /nfs/dbraw/zinc/32/90/78/327329078.db2.gz IPDZBYHZQBCKEN-GOSISDBHSA-N 2 1 278.484 3.765 20 0 CHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCC3CCCCCC3)C2)C1 ZINC000560594404 327329079 /nfs/dbraw/zinc/32/90/79/327329079.db2.gz IPDZBYHZQBCKEN-GOSISDBHSA-N 2 1 278.484 3.765 20 0 CHADMP C[N@H+]1CCC[C@]2(CC[NH+](CCC3CCCCCC3)C2)C1 ZINC000560594405 327329219 /nfs/dbraw/zinc/32/92/19/327329219.db2.gz IPDZBYHZQBCKEN-SFHVURJKSA-N 2 1 278.484 3.765 20 0 CHADMP C[NH+]1CCC[C@]2(CC[N@H+](CCC3CCCCCC3)C2)C1 ZINC000560594405 327329220 /nfs/dbraw/zinc/32/92/20/327329220.db2.gz IPDZBYHZQBCKEN-SFHVURJKSA-N 2 1 278.484 3.765 20 0 CHADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCC3CCCCCC3)C2)C1 ZINC000560594405 327329222 /nfs/dbraw/zinc/32/92/22/327329222.db2.gz IPDZBYHZQBCKEN-SFHVURJKSA-N 2 1 278.484 3.765 20 0 CHADMP CC(C)C[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000560701957 327337713 /nfs/dbraw/zinc/33/77/13/327337713.db2.gz OKHHLONUECRWKV-HKUYNNGSSA-N 2 1 288.479 3.875 20 0 CHADMP CC(C)C[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000560701957 327337714 /nfs/dbraw/zinc/33/77/14/327337714.db2.gz OKHHLONUECRWKV-HKUYNNGSSA-N 2 1 288.479 3.875 20 0 CHADMP CC(C)C[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000560701957 327337715 /nfs/dbraw/zinc/33/77/15/327337715.db2.gz OKHHLONUECRWKV-HKUYNNGSSA-N 2 1 288.479 3.875 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)C[C@H](C)CC(C)C ZINC000507517619 332811695 /nfs/dbraw/zinc/81/16/95/332811695.db2.gz YQXNNHOJDRCIAP-OAGGEKHMSA-N 2 1 279.472 3.878 20 0 CHADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCC(C(C)C)CC1 ZINC000054556671 328697584 /nfs/dbraw/zinc/69/75/84/328697584.db2.gz YCSCXHPRMFLURA-FHERZECASA-N 2 1 254.462 3.521 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(SC)cc2)C1 ZINC000174221028 329155516 /nfs/dbraw/zinc/15/55/16/329155516.db2.gz IBCWLGMJZIPUCF-INIZCTEOSA-N 2 1 292.492 3.572 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(SC)cc2)C1 ZINC000174221028 329155517 /nfs/dbraw/zinc/15/55/17/329155517.db2.gz IBCWLGMJZIPUCF-INIZCTEOSA-N 2 1 292.492 3.572 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)C1CCC1 ZINC000178392038 329199376 /nfs/dbraw/zinc/19/93/76/329199376.db2.gz KSRWGYBSQPRNKR-HZPDHXFCSA-N 2 1 286.463 3.990 20 0 CHADMP CC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccc(C)cc1 ZINC000178696955 329202471 /nfs/dbraw/zinc/20/24/71/329202471.db2.gz GDBYZXDMWFSJPR-QAPCUYQASA-N 2 1 285.435 3.877 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000180627325 329221225 /nfs/dbraw/zinc/22/12/25/329221225.db2.gz OEWYVWHURIYOGU-KXBFYZLASA-N 2 1 297.446 3.803 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1C[C@H]1C ZINC000321111906 329260784 /nfs/dbraw/zinc/26/07/84/329260784.db2.gz QQRDZKCESXFARP-NHJFUUOTSA-N 2 1 298.474 3.816 20 0 CHADMP CC[NH2+]CCC[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000582898948 329282876 /nfs/dbraw/zinc/28/28/76/329282876.db2.gz DNHNSKTYGFXTNV-SFHVURJKSA-N 2 1 286.394 3.504 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](CCC(C)C)C(C)(C)C)CC1 ZINC000583076547 329310667 /nfs/dbraw/zinc/31/06/67/329310667.db2.gz HNHWZYIICDNZAE-INIZCTEOSA-N 2 1 268.489 3.911 20 0 CHADMP CC[NH+](CC)[C@@H](C)C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000186585223 329345679 /nfs/dbraw/zinc/34/56/79/329345679.db2.gz OXBOZHMVOMFDOZ-HSBZDZAISA-N 2 1 294.405 3.675 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]C1CC2(C1)CCCCC2 ZINC000421362802 329823100 /nfs/dbraw/zinc/82/31/00/329823100.db2.gz JVZHTLBOGDMEPR-UHFFFAOYSA-N 2 1 275.440 3.674 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cccc(C2CC2)c1 ZINC000421368463 329824099 /nfs/dbraw/zinc/82/40/99/329824099.db2.gz VAGWLBSARMMSJC-UHFFFAOYSA-N 2 1 283.419 3.639 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000514153265 329942928 /nfs/dbraw/zinc/94/29/28/329942928.db2.gz DVCXWPTTWWBQOA-CQSZACIVSA-N 2 1 266.404 3.517 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379626004 330143332 /nfs/dbraw/zinc/14/33/32/330143332.db2.gz GMAFYXKXWHPZPV-APWZRJJASA-N 2 1 286.463 3.819 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000379626004 330143333 /nfs/dbraw/zinc/14/33/33/330143333.db2.gz GMAFYXKXWHPZPV-APWZRJJASA-N 2 1 286.463 3.819 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(C)c1 ZINC000191483761 330144523 /nfs/dbraw/zinc/14/45/23/330144523.db2.gz KXYWLQQHCVLRJG-UHFFFAOYSA-N 2 1 285.435 3.666 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(C)c1 ZINC000191483761 330144525 /nfs/dbraw/zinc/14/45/25/330144525.db2.gz KXYWLQQHCVLRJG-UHFFFAOYSA-N 2 1 285.435 3.666 20 0 CHADMP FC(F)(F)C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422720595 330152053 /nfs/dbraw/zinc/15/20/53/330152053.db2.gz ZTLMRCMOHQPOMQ-IZGVIRRGSA-N 2 1 298.352 3.553 20 0 CHADMP c1ccc(C([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)cc1 ZINC000422725707 330152344 /nfs/dbraw/zinc/15/23/44/330152344.db2.gz CBEJLXXHHZAIRG-DFNIBXOVSA-N 2 1 292.426 3.649 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1cccc(Cl)c1Cl ZINC000422751323 330153432 /nfs/dbraw/zinc/15/34/32/330153432.db2.gz BIDUINFKQROHAS-LPEHRKFASA-N 2 1 275.223 3.770 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1Cl ZINC000422754974 330153739 /nfs/dbraw/zinc/15/37/39/330153739.db2.gz HHVZFZMTXVYRNB-MDFVCYEDSA-N 2 1 299.245 3.927 20 0 CHADMP CC(C)[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccccc1 ZINC000422804180 330155955 /nfs/dbraw/zinc/15/59/55/330155955.db2.gz DUFMAJANQLGKGE-GOEBONIOSA-N 2 1 283.419 3.585 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)C(C)(C)C ZINC000422854542 330157805 /nfs/dbraw/zinc/15/78/05/330157805.db2.gz BAIFXRWEYZBINX-BBWFWOEESA-N 2 1 274.452 3.894 20 0 CHADMP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422880957 330158971 /nfs/dbraw/zinc/15/89/71/330158971.db2.gz XZSOEYSQGYARAJ-LAVFITLUSA-N 2 1 272.436 3.648 20 0 CHADMP C[C@H]([NH2+]Cc1ccccc1Sc1ccccc1)C1C[NH2+]C1 ZINC000422890625 330159156 /nfs/dbraw/zinc/15/91/56/330159156.db2.gz SQTHBGXNRCCLNK-AWEZNQCLSA-N 2 1 298.455 3.535 20 0 CHADMP C[C@H](C[C@H](C)[NH3+])Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000422916171 330160275 /nfs/dbraw/zinc/16/02/75/330160275.db2.gz COPAZDMQNVBCMT-ARFHVFGLSA-N 2 1 289.467 3.599 20 0 CHADMP C[C@H]([NH3+])C[C@H](C)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000422916173 330160417 /nfs/dbraw/zinc/16/04/17/330160417.db2.gz COPAZDMQNVBCMT-JYJNAYRXSA-N 2 1 289.467 3.599 20 0 CHADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])ccc1-c1ccccc1 ZINC000423066775 330168302 /nfs/dbraw/zinc/16/83/02/330168302.db2.gz XVMPBMUZSULZSI-RBUKOAKNSA-N 2 1 280.415 3.631 20 0 CHADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000423100236 330170188 /nfs/dbraw/zinc/17/01/88/330170188.db2.gz UULZJGONPYYZOP-FZCLSBEQSA-N 2 1 272.436 3.506 20 0 CHADMP C[NH2+]CCC[NH2+][C@@H](c1ccccc1)c1cc(C)ccc1C ZINC000423201882 330176814 /nfs/dbraw/zinc/17/68/14/330176814.db2.gz QDMZGUHIXYJNOM-IBGZPJMESA-N 2 1 282.431 3.592 20 0 CHADMP Fc1ccc([C@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423205207 330177014 /nfs/dbraw/zinc/17/70/14/330177014.db2.gz DWNIGMFHYRMANZ-HNAYVOBHSA-N 2 1 298.405 3.504 20 0 CHADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000423269941 330181752 /nfs/dbraw/zinc/18/17/52/330181752.db2.gz HKDXVMLEUOTFDZ-FZMZJTMJSA-N 2 1 274.408 3.556 20 0 CHADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccsc1 ZINC000423259179 330183503 /nfs/dbraw/zinc/18/35/03/330183503.db2.gz DDKOSECRPJFWOC-HUUCEWRRSA-N 2 1 266.454 3.696 20 0 CHADMP Cc1ccsc1[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423259162 330183550 /nfs/dbraw/zinc/18/35/50/330183550.db2.gz DDFYZWHWHORPCK-JSGCOSHPSA-N 2 1 266.454 3.615 20 0 CHADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000423267132 330184104 /nfs/dbraw/zinc/18/41/04/330184104.db2.gz SUVXDEXXBKZMIY-BEFAXECRSA-N 2 1 297.446 3.773 20 0 CHADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423268599 330184453 /nfs/dbraw/zinc/18/44/53/330184453.db2.gz UVHADGCZFUMEBF-YPMHNXCESA-N 2 1 283.485 3.599 20 0 CHADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(-c2ccccc2)cc1 ZINC000423272348 330184648 /nfs/dbraw/zinc/18/46/48/330184648.db2.gz HWFBQRPDJJJHIP-AUUYWEPGSA-N 2 1 280.415 3.742 20 0 CHADMP CCC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000423272021 330184747 /nfs/dbraw/zinc/18/47/47/330184747.db2.gz HURGVLXZMHBAPJ-GJZGRUSLSA-N 2 1 266.816 3.508 20 0 CHADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(-c2ccccc2)cc1 ZINC000423272350 330184856 /nfs/dbraw/zinc/18/48/56/330184856.db2.gz HWFBQRPDJJJHIP-IFXJQAMLSA-N 2 1 280.415 3.742 20 0 CHADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000423277304 330185106 /nfs/dbraw/zinc/18/51/06/330185106.db2.gz PSSZBZJKRBSPBG-LPHOPBHVSA-N 2 1 282.431 3.530 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000423289452 330186487 /nfs/dbraw/zinc/18/64/87/330186487.db2.gz XHASLHXAJRUELY-VIFPVBQESA-N 2 1 260.834 3.570 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cc(C)sc1C ZINC000423297303 330188514 /nfs/dbraw/zinc/18/85/14/330188514.db2.gz JRNKBWIRJWWRDE-WCQYABFASA-N 2 1 254.443 3.533 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000423297832 330188698 /nfs/dbraw/zinc/18/86/98/330188698.db2.gz MBHRBOKZWATKPK-RISCZKNCSA-N 2 1 254.805 3.508 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000423297061 330188751 /nfs/dbraw/zinc/18/87/51/330188751.db2.gz IOHBFJZWNZAIFX-TZMCWYRMSA-N 2 1 266.454 3.577 20 0 CHADMP [NH3+][C@@H](C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1)C1CC1 ZINC000423313175 330189716 /nfs/dbraw/zinc/18/97/16/330189716.db2.gz FGWSNIGBKHQCOE-GJZGRUSLSA-N 2 1 299.245 3.771 20 0 CHADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccccc1C(C)(C)C ZINC000423323405 330190794 /nfs/dbraw/zinc/19/07/94/330190794.db2.gz JJHIRQAMMVICSC-ZDUSSCGKSA-N 2 1 260.425 3.516 20 0 CHADMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(-c2ccccc2)o1 ZINC000423324815 330190810 /nfs/dbraw/zinc/19/08/10/330190810.db2.gz JAFFCXNFNWFDCX-BEFAXECRSA-N 2 1 298.430 3.987 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)c2ccsc2S1 ZINC000423327617 330190872 /nfs/dbraw/zinc/19/08/72/330190872.db2.gz LMAYPACHTWKKIW-NJZAAPMLSA-N 2 1 296.505 3.653 20 0 CHADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000423361346 330193679 /nfs/dbraw/zinc/19/36/79/330193679.db2.gz AFBBUOXAMJMFSB-APHBMKBZSA-N 2 1 280.843 3.693 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(-c2ccccc2)o1 ZINC000423365353 330194714 /nfs/dbraw/zinc/19/47/14/330194714.db2.gz BOBHCNNXDVIPEZ-YCPHGPKFSA-N 2 1 284.403 3.738 20 0 CHADMP CCC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000423325551 330195711 /nfs/dbraw/zinc/19/57/11/330195711.db2.gz QECHFYQMCDITRD-HUUCEWRRSA-N 2 1 266.816 3.508 20 0 CHADMP Cc1cc2cc([C@H](C)[NH2+][C@@H]3CC[NH2+]C[C@@H]3C)oc2cc1C ZINC000423406487 330196578 /nfs/dbraw/zinc/19/65/78/330196578.db2.gz UTCIEGJUOOBFMZ-OFQRWUPVSA-N 2 1 286.419 3.698 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(-c2ccccc2)o1 ZINC000423383362 330199163 /nfs/dbraw/zinc/19/91/63/330199163.db2.gz FAJDTLIYPNJMKU-IJEWVQPXSA-N 2 1 284.403 3.595 20 0 CHADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2)s1 ZINC000423446998 330202313 /nfs/dbraw/zinc/20/23/13/330202313.db2.gz OLWHTZMXFFACDP-AVGNSLFASA-N 2 1 274.433 3.801 20 0 CHADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2F)s1 ZINC000423448134 330202573 /nfs/dbraw/zinc/20/25/73/330202573.db2.gz PTIWDGUHZYBTLM-UTUOFQBUSA-N 2 1 292.423 3.941 20 0 CHADMP Cc1nc(-c2cc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cs2)cs1 ZINC000423448898 330202589 /nfs/dbraw/zinc/20/25/89/330202589.db2.gz QSWSDXHMLQOPTA-BBBLOLIVSA-N 2 1 295.477 3.566 20 0 CHADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(SC(C)C)cc1 ZINC000423465024 330204394 /nfs/dbraw/zinc/20/43/94/330204394.db2.gz MJHYRGOGLFEYLO-GXTWGEPZSA-N 2 1 266.454 3.575 20 0 CHADMP CCC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccsc1 ZINC000423498287 330208186 /nfs/dbraw/zinc/20/81/86/330208186.db2.gz HWZABWBJFCNHJE-CABCVRRESA-N 2 1 266.454 3.696 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423512502 330209277 /nfs/dbraw/zinc/20/92/77/330209277.db2.gz UTAMHPZYVBVSRF-DCGLDWPTSA-N 2 1 294.870 3.939 20 0 CHADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1cc(Cl)cc(Cl)c1 ZINC000423520279 330210028 /nfs/dbraw/zinc/21/00/28/330210028.db2.gz FBMCVEFBSSTNER-JTQLQIEISA-N 2 1 287.234 3.786 20 0 CHADMP Cc1cc2cc([C@@H](C)[NH2+]CCC[NH2+]C3CC3)oc2cc1C ZINC000423531811 330210218 /nfs/dbraw/zinc/21/02/18/330210218.db2.gz UILBRLKZUDRXPR-CQSZACIVSA-N 2 1 286.419 3.842 20 0 CHADMP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc2ccccc21 ZINC000423563206 330212063 /nfs/dbraw/zinc/21/20/63/330212063.db2.gz RDHUUGZXRIMJHU-HOCLYGCPSA-N 2 1 268.404 3.633 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc2ccccc21 ZINC000423563204 330212099 /nfs/dbraw/zinc/21/20/99/330212099.db2.gz RDHUUGZXRIMJHU-GDBMZVCRSA-N 2 1 268.404 3.633 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc2ccccc21 ZINC000423563205 330212240 /nfs/dbraw/zinc/21/22/40/330212240.db2.gz RDHUUGZXRIMJHU-GOEBONIOSA-N 2 1 268.404 3.633 20 0 CHADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cc2cc(Cl)ccc2o1 ZINC000423573136 330212389 /nfs/dbraw/zinc/21/23/89/330212389.db2.gz YXEYFTDMCZAKEE-LLVKDONJSA-N 2 1 292.810 3.879 20 0 CHADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1cc2cc(Cl)ccc2o1 ZINC000423573137 330212531 /nfs/dbraw/zinc/21/25/31/330212531.db2.gz YXEYFTDMCZAKEE-NSHDSACASA-N 2 1 292.810 3.879 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC000536830123 330228680 /nfs/dbraw/zinc/22/86/80/330228680.db2.gz AWSQFOITCZIDLG-HZPDHXFCSA-N 2 1 292.442 3.844 20 0 CHADMP Cc1c(C)c(C)c(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1C ZINC000536841628 330235965 /nfs/dbraw/zinc/23/59/65/330235965.db2.gz VZPLHOWOZBJPNB-XIKOKIGWSA-N 2 1 288.479 3.801 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000527649822 330272066 /nfs/dbraw/zinc/27/20/66/330272066.db2.gz KOTFVLVOVGQMKE-MOPGFXCFSA-N 2 1 297.446 3.898 20 0 CHADMP CC[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000527763937 330281608 /nfs/dbraw/zinc/28/16/08/330281608.db2.gz NEKCUBAMPQZCCM-GUDVDZBRSA-N 2 1 286.463 3.614 20 0 CHADMP Cc1cccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C(C)C)c1 ZINC000527848664 330288073 /nfs/dbraw/zinc/28/80/73/330288073.db2.gz SBNGTDUTKZINTF-IBGZPJMESA-N 2 1 286.463 3.909 20 0 CHADMP CC[C@H](CCc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000527850327 330288219 /nfs/dbraw/zinc/28/82/19/330288219.db2.gz WIHKSVBISIFBKD-QGZVFWFLSA-N 2 1 286.463 3.614 20 0 CHADMP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000527987657 330298913 /nfs/dbraw/zinc/29/89/13/330298913.db2.gz UPUACNGFXIFEFE-MGPQQGTHSA-N 2 1 288.426 3.520 20 0 CHADMP CC(C)[NH+]1CCC([NH2+][C@H](c2cccs2)C2CC2)CC1 ZINC000044298159 330327276 /nfs/dbraw/zinc/32/72/76/330327276.db2.gz NOMVOLLYQJNCEU-INIZCTEOSA-N 2 1 278.465 3.662 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc2ccccc21 ZINC000044534674 330330056 /nfs/dbraw/zinc/33/00/56/330330056.db2.gz WCBNBWFIOAITNW-JKSUJKDBSA-N 2 1 282.431 3.832 20 0 CHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CC34CC4)[C@@H]3CCC[C@@H]32)cc1 ZINC000424314679 330339134 /nfs/dbraw/zinc/33/91/34/330339134.db2.gz CMIVAHYYOMRUAW-CADBVGFASA-N 2 1 296.458 3.572 20 0 CHADMP Cc1oc2ccccc2c1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424368941 330348016 /nfs/dbraw/zinc/34/80/16/330348016.db2.gz AVTVNFCKGQPSSV-AWEZNQCLSA-N 2 1 298.430 3.705 20 0 CHADMP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841361 330368199 /nfs/dbraw/zinc/36/81/99/330368199.db2.gz ZFNGZXXUYJZAFD-CHWSQXEVSA-N 2 1 298.833 3.814 20 0 CHADMP C[C@H](c1ccc(F)c(Cl)c1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841361 330368200 /nfs/dbraw/zinc/36/82/00/330368200.db2.gz ZFNGZXXUYJZAFD-CHWSQXEVSA-N 2 1 298.833 3.814 20 0 CHADMP C[C@H](c1ccc(F)c(Cl)c1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841361 330368201 /nfs/dbraw/zinc/36/82/01/330368201.db2.gz ZFNGZXXUYJZAFD-CHWSQXEVSA-N 2 1 298.833 3.814 20 0 CHADMP C[C@H](CCC1CCCCC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119669834 330378350 /nfs/dbraw/zinc/37/83/50/330378350.db2.gz TYKAMUYULWRCDH-OAHLLOKOSA-N 2 1 278.484 3.952 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)s1 ZINC000089216480 330381377 /nfs/dbraw/zinc/38/13/77/330381377.db2.gz MTLIMUKKQRJQET-SDDRHHMPSA-N 2 1 284.856 3.679 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)s1 ZINC000089216480 330381378 /nfs/dbraw/zinc/38/13/78/330381378.db2.gz MTLIMUKKQRJQET-SDDRHHMPSA-N 2 1 284.856 3.679 20 0 CHADMP C[N@H+]1CCC[C@]2(CC[NH+](CC/C=C\c3ccccc3)C2)C1 ZINC000451065462 331014445 /nfs/dbraw/zinc/01/44/45/331014445.db2.gz ANJODZXWCCFKFU-AJWDXOCTSA-N 2 1 284.447 3.508 20 0 CHADMP C[NH+]1CCC[C@]2(CC[N@H+](CC/C=C\c3ccccc3)C2)C1 ZINC000451065462 331014446 /nfs/dbraw/zinc/01/44/46/331014446.db2.gz ANJODZXWCCFKFU-AJWDXOCTSA-N 2 1 284.447 3.508 20 0 CHADMP C[NH+]1CCC[C@]2(CC[N@@H+](CC/C=C\c3ccccc3)C2)C1 ZINC000451065462 331014447 /nfs/dbraw/zinc/01/44/47/331014447.db2.gz ANJODZXWCCFKFU-AJWDXOCTSA-N 2 1 284.447 3.508 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc(C2CC2)c1 ZINC000451108993 331015732 /nfs/dbraw/zinc/01/57/32/331015732.db2.gz AYXOLXYLGUJHFN-RDTXWAMCSA-N 2 1 272.436 3.699 20 0 CHADMP CSc1ccccc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000194847617 331064694 /nfs/dbraw/zinc/06/46/94/331064694.db2.gz DFWPHTCDRIEXMB-KBPBESRZSA-N 2 1 290.476 3.543 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@H](C)c3ccsc32)CC1 ZINC000453097642 331088982 /nfs/dbraw/zinc/08/89/82/331088982.db2.gz UTKQFNIGMTVRTB-WFASDCNBSA-N 2 1 278.465 3.760 20 0 CHADMP CC/C=C/C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000453333972 331118168 /nfs/dbraw/zinc/11/81/68/331118168.db2.gz XFPIZKVKDAXMOZ-XBXARRHUSA-N 2 1 286.463 3.985 20 0 CHADMP CCC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)C1CCCC1 ZINC000453386293 331126598 /nfs/dbraw/zinc/12/65/98/331126598.db2.gz ALNZWTARMGPOBU-QGZVFWFLSA-N 2 1 266.473 3.809 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)s1 ZINC000453399262 331128394 /nfs/dbraw/zinc/12/83/94/331128394.db2.gz LFLFBTTYIPCNCN-CYBMUJFWSA-N 2 1 266.454 3.582 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@H](c1ccc(F)cc1)C1CC1)C1CC1 ZINC000453399218 331128439 /nfs/dbraw/zinc/12/84/39/331128439.db2.gz LBYCFISDOCNCGG-SFHVURJKSA-N 2 1 290.426 3.741 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc(C)c1F ZINC000453399208 331128472 /nfs/dbraw/zinc/12/84/72/331128472.db2.gz LBJWCVOVMKSZBE-OAHLLOKOSA-N 2 1 292.442 3.968 20 0 CHADMP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccsc1 ZINC000453402155 331128729 /nfs/dbraw/zinc/12/87/29/331128729.db2.gz NEUMVCHQLGTQJD-OAHLLOKOSA-N 2 1 266.454 3.663 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCc2ccc(F)cc21)C1CC1 ZINC000453402837 331128914 /nfs/dbraw/zinc/12/89/14/331128914.db2.gz NZAYCCHTIAUELY-GOSISDBHSA-N 2 1 290.426 3.667 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c(C)c1 ZINC000453404785 331129184 /nfs/dbraw/zinc/12/91/84/331129184.db2.gz PVZZLLBUKBVDON-MRXNPFEDSA-N 2 1 274.452 3.828 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@H]1CCC[C@H]1c1ccccc1)C1CC1 ZINC000453421017 331130659 /nfs/dbraw/zinc/13/06/59/331130659.db2.gz ZZWBJZQESZCXHA-OALUTQOASA-N 2 1 286.463 3.787 20 0 CHADMP Cc1cc2[nH]c(C[NH2+]CCCC[N@H+](C)C3CC3)cc2c(C)c1 ZINC000453596932 331135558 /nfs/dbraw/zinc/13/55/58/331135558.db2.gz MHACTPRSRIBUTJ-UHFFFAOYSA-N 2 1 299.462 3.749 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000195441379 331173463 /nfs/dbraw/zinc/17/34/63/331173463.db2.gz RHGKROZZSIGBMN-GFCCVEGCSA-N 2 1 291.826 3.579 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2cccc(Cl)c2)C[C@@H]1C ZINC000459385504 331279382 /nfs/dbraw/zinc/27/93/82/331279382.db2.gz YPNDSKUYMQCEET-YOEHRIQHSA-N 2 1 294.870 3.687 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2cccc(Cl)c2)C[C@@H]1C ZINC000459385504 331279383 /nfs/dbraw/zinc/27/93/83/331279383.db2.gz YPNDSKUYMQCEET-YOEHRIQHSA-N 2 1 294.870 3.687 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2cccc(Cl)c2)C[C@@H]1C ZINC000459385504 331279384 /nfs/dbraw/zinc/27/93/84/331279384.db2.gz YPNDSKUYMQCEET-YOEHRIQHSA-N 2 1 294.870 3.687 20 0 CHADMP C[C@@H]([N@@H+](CCc1cncn1C)Cc1ccccc1)C(C)(C)C ZINC000459408953 331280243 /nfs/dbraw/zinc/28/02/43/331280243.db2.gz NKAXNCNQCWSYAY-MRXNPFEDSA-N 2 1 299.462 3.899 20 0 CHADMP CC(C)(C[NH2+]C1CC[NH+](C2CC2)CC1)C1=CCCCC1 ZINC000459527597 331286000 /nfs/dbraw/zinc/28/60/00/331286000.db2.gz KLRUONQBJPDOPG-UHFFFAOYSA-N 2 1 276.468 3.729 20 0 CHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc3ccccc32)C1 ZINC000459722528 331295801 /nfs/dbraw/zinc/29/58/01/331295801.db2.gz BPRYOZUOAXDYAB-MRXNPFEDSA-N 2 1 282.431 3.661 20 0 CHADMP Cc1ccc(CC[C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000459722573 331295841 /nfs/dbraw/zinc/29/58/41/331295841.db2.gz BYUFCTLKFHOVEE-HKUYNNGSSA-N 2 1 288.479 3.638 20 0 CHADMP CC1(C)[C@@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000459724435 331295850 /nfs/dbraw/zinc/29/58/50/331295850.db2.gz YSLFIJXYYHYBQG-RDGPPVDQSA-N 2 1 298.474 3.643 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@@H](C)C2 ZINC000459735056 331296839 /nfs/dbraw/zinc/29/68/39/331296839.db2.gz HJNYZVTYCQXXNT-TXPKVOOTSA-N 2 1 286.463 3.550 20 0 CHADMP C[C@H](CCc1ccccc1)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459739400 331297294 /nfs/dbraw/zinc/29/72/94/331297294.db2.gz SMJVMPSCCFNLGK-MJGOQNOKSA-N 2 1 288.479 3.577 20 0 CHADMP CC[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)C1 ZINC000462660437 331324720 /nfs/dbraw/zinc/32/47/20/331324720.db2.gz KFKSLCVHTVFZOK-CVEARBPZSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@@H]1CCC[C@@H]([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000462673503 331324873 /nfs/dbraw/zinc/32/48/73/331324873.db2.gz HVZOAVZIGNVRSE-ZJPYXAASSA-N 2 1 280.500 3.913 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC000464782685 331368162 /nfs/dbraw/zinc/36/81/62/331368162.db2.gz ZJYJLQVIPPHSCT-KRWDZBQOSA-N 2 1 266.473 3.621 20 0 CHADMP CCCCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464845916 331370892 /nfs/dbraw/zinc/37/08/92/331370892.db2.gz PVKSQWOLNTXGPN-SFHVURJKSA-N 2 1 274.452 3.631 20 0 CHADMP CCCCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464845916 331370893 /nfs/dbraw/zinc/37/08/93/331370893.db2.gz PVKSQWOLNTXGPN-SFHVURJKSA-N 2 1 274.452 3.631 20 0 CHADMP CCCCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464845916 331370894 /nfs/dbraw/zinc/37/08/94/331370894.db2.gz PVKSQWOLNTXGPN-SFHVURJKSA-N 2 1 274.452 3.631 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000510685153 332911502 /nfs/dbraw/zinc/91/15/02/332911502.db2.gz JVLSTRQBBUOFAZ-ZIAGYGMSSA-N 2 1 298.421 3.606 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CCc1ccccc1)C(C)C ZINC000510962755 332922246 /nfs/dbraw/zinc/92/22/46/332922246.db2.gz SLHNMTITNJBYFW-LJQANCHMSA-N 2 1 299.462 3.829 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000488374515 332002570 /nfs/dbraw/zinc/00/25/70/332002570.db2.gz YZFAWFJVHSNYBF-IEBWSBKVSA-N 2 1 286.463 3.787 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000488415766 332005757 /nfs/dbraw/zinc/00/57/57/332005757.db2.gz HFQSVEKKBTVFCZ-GPMSIDNRSA-N 2 1 286.463 3.807 20 0 CHADMP Cc1ccc(N2CCC([NH2+]C3CCC4(CC4)CC3)CC2)[nH+]c1 ZINC000488426140 332006898 /nfs/dbraw/zinc/00/68/98/332006898.db2.gz SFXJBVQKWDGRGA-UHFFFAOYSA-N 2 1 299.462 3.671 20 0 CHADMP CC[C@@]1(C)CC[NH+](CCC[N@@H+]2CC[C@](C)(CC)C2)C1 ZINC000489297758 332045823 /nfs/dbraw/zinc/04/58/23/332045823.db2.gz VOXANJWXDKMFNV-IRXDYDNUSA-N 2 1 266.473 3.621 20 0 CHADMP c1cc2c(cc1C[NH2+]C1CC([NH+]3CCCCC3)C1)CCCC2 ZINC000491347439 332194074 /nfs/dbraw/zinc/19/40/74/332194074.db2.gz PTILWLOHIZRZGH-UHFFFAOYSA-N 2 1 298.474 3.672 20 0 CHADMP Cc1ccc(-c2ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)o2)cc1 ZINC000491596542 332242127 /nfs/dbraw/zinc/24/21/27/332242127.db2.gz LNZXDAVKVRDUSL-OAHLLOKOSA-N 2 1 286.419 3.542 20 0 CHADMP Cc1cccc(N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000336657173 335109904 /nfs/dbraw/zinc/10/99/04/335109904.db2.gz MSQVCAMFCVRKJD-FUHWJXTLSA-N 2 1 295.430 3.713 20 0 CHADMP Cc1cccc(N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000336657173 335109906 /nfs/dbraw/zinc/10/99/06/335109906.db2.gz MSQVCAMFCVRKJD-FUHWJXTLSA-N 2 1 295.430 3.713 20 0 CHADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000575737802 335110409 /nfs/dbraw/zinc/11/04/09/335110409.db2.gz MYEYUSJNWYYAPY-AAXDQBDMSA-N 2 1 298.883 3.707 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000575737802 335110410 /nfs/dbraw/zinc/11/04/10/335110410.db2.gz MYEYUSJNWYYAPY-AAXDQBDMSA-N 2 1 298.883 3.707 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc21 ZINC000248178617 334296757 /nfs/dbraw/zinc/29/67/57/334296757.db2.gz WAESCGOZOUAQAS-LLDVTBCESA-N 2 1 272.436 3.697 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc21 ZINC000248178617 334296758 /nfs/dbraw/zinc/29/67/58/334296758.db2.gz WAESCGOZOUAQAS-LLDVTBCESA-N 2 1 272.436 3.697 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000248822360 334318380 /nfs/dbraw/zinc/31/83/80/334318380.db2.gz FFXFFSUGPMLJJY-LNLFQRSKSA-N 2 1 288.479 3.842 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000248822360 334318382 /nfs/dbraw/zinc/31/83/82/334318382.db2.gz FFXFFSUGPMLJJY-LNLFQRSKSA-N 2 1 288.479 3.842 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000248822360 334318383 /nfs/dbraw/zinc/31/83/83/334318383.db2.gz FFXFFSUGPMLJJY-LNLFQRSKSA-N 2 1 288.479 3.842 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1cccc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000400434132 332709705 /nfs/dbraw/zinc/70/97/05/332709705.db2.gz KUEYDEJUNIQVAP-IYOUNJFTSA-N 2 1 268.404 3.631 20 0 CHADMP C[C@H]1C[C@@H](CC[NH2+]C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000513545565 333024736 /nfs/dbraw/zinc/02/47/36/333024736.db2.gz RGVASHMYGIDCJY-FUHWJXTLSA-N 2 1 286.463 3.819 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](c2ccccc2C)C1 ZINC000513893362 333047698 /nfs/dbraw/zinc/04/76/98/333047698.db2.gz RUOSILSGLHQGSJ-KRWDZBQOSA-N 2 1 274.452 3.516 20 0 CHADMP Cc1cc(N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000309716334 333047906 /nfs/dbraw/zinc/04/79/06/333047906.db2.gz LYKOXKBOXOWJIM-SJLPKXTDSA-N 2 1 295.430 3.713 20 0 CHADMP C[C@@H]([NH2+][C@H]1C[C@@H](C)[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309784208 333049310 /nfs/dbraw/zinc/04/93/10/333049310.db2.gz MDIXULVSYYUSTG-LHHMMCJZSA-N 2 1 286.463 3.531 20 0 CHADMP CCC[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309802702 333049911 /nfs/dbraw/zinc/04/99/11/333049911.db2.gz SLIQDLAXEXXPEK-JZXOWHBKSA-N 2 1 274.452 3.675 20 0 CHADMP CCC[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309802703 333049991 /nfs/dbraw/zinc/04/99/91/333049991.db2.gz SLIQDLAXEXXPEK-LZLYRXPVSA-N 2 1 274.452 3.675 20 0 CHADMP CC(C)C[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309881044 333050855 /nfs/dbraw/zinc/05/08/55/333050855.db2.gz WAAMVWXADDADEH-SCTDSRPQSA-N 2 1 288.479 3.921 20 0 CHADMP CC(C)CC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309891345 333051043 /nfs/dbraw/zinc/05/10/43/333051043.db2.gz DUBDXCBVQVOYCN-AEFFLSMTSA-N 2 1 274.452 3.533 20 0 CHADMP CCCCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309916868 333051131 /nfs/dbraw/zinc/05/11/31/333051131.db2.gz OPAOVRPCNCRNSD-FUHWJXTLSA-N 2 1 274.452 3.677 20 0 CHADMP CCCCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309916866 333051251 /nfs/dbraw/zinc/05/12/51/333051251.db2.gz OPAOVRPCNCRNSD-AEFFLSMTSA-N 2 1 274.452 3.677 20 0 CHADMP CC(C)[C@H](C)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309921987 333051408 /nfs/dbraw/zinc/05/14/08/333051408.db2.gz RFJYXWGTVHBYOV-AOIWGVFYSA-N 2 1 288.479 3.779 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000310019495 333052895 /nfs/dbraw/zinc/05/28/95/333052895.db2.gz QLXWCOULYWROTP-AEFFLSMTSA-N 2 1 286.463 3.677 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)C2CCC2)CC1 ZINC000178166557 333068868 /nfs/dbraw/zinc/06/88/68/333068868.db2.gz JNBYEPWZTJKBEE-MRXNPFEDSA-N 2 1 286.463 3.738 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](c2ccccc2)C1(C)C ZINC000516876161 333085095 /nfs/dbraw/zinc/08/50/95/333085095.db2.gz ORAOGDIPOKJSDX-GOSISDBHSA-N 2 1 297.446 3.621 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](c2ccccc2)C1(C)C ZINC000516876161 333085097 /nfs/dbraw/zinc/08/50/97/333085097.db2.gz ORAOGDIPOKJSDX-GOSISDBHSA-N 2 1 297.446 3.621 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@H](C)C[C@H](c2ccccc2)C1 ZINC000336868595 335122473 /nfs/dbraw/zinc/12/24/73/335122473.db2.gz XSZGFEINRVDDFJ-AYOQOUSVSA-N 2 1 297.446 3.754 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC1=CCCCCC1 ZINC000184576415 333129992 /nfs/dbraw/zinc/12/99/92/333129992.db2.gz JJHWJNIMNXRBAF-VYDXJSESSA-N 2 1 264.457 3.585 20 0 CHADMP CC1(C)CC([NH2+]Cc2ccc(F)cc2Cl)CC(C)(C)[NH2+]1 ZINC000219147629 333142850 /nfs/dbraw/zinc/14/28/50/333142850.db2.gz MXJVXTYIDYTLCQ-UHFFFAOYSA-N 2 1 298.833 3.878 20 0 CHADMP CCCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000219234262 333144951 /nfs/dbraw/zinc/14/49/51/333144951.db2.gz WPBGIJPNXSSNOQ-JQHSSLGASA-N 2 1 274.452 3.990 20 0 CHADMP CCCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000219234262 333144952 /nfs/dbraw/zinc/14/49/52/333144952.db2.gz WPBGIJPNXSSNOQ-JQHSSLGASA-N 2 1 274.452 3.990 20 0 CHADMP COc1ccsc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000186117166 333155243 /nfs/dbraw/zinc/15/52/43/333155243.db2.gz JSBASDIEKCEMAT-ZIAGYGMSSA-N 2 1 296.480 3.529 20 0 CHADMP COc1ccsc1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000186117131 333155288 /nfs/dbraw/zinc/15/52/88/333155288.db2.gz JSBASDIEKCEMAT-KGLIPLIRSA-N 2 1 296.480 3.529 20 0 CHADMP C[C@@H](CCC1CC1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192921544 333240188 /nfs/dbraw/zinc/24/01/88/333240188.db2.gz HTKNUBKLKSECEQ-QFBILLFUSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCC[NH+]1CCCCC1 ZINC000195632310 333258153 /nfs/dbraw/zinc/25/81/53/333258153.db2.gz IWDHCQUVPNZOPV-AWEZNQCLSA-N 2 1 296.405 3.834 20 0 CHADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000195632310 333258155 /nfs/dbraw/zinc/25/81/55/333258155.db2.gz IWDHCQUVPNZOPV-AWEZNQCLSA-N 2 1 296.405 3.834 20 0 CHADMP Fc1cccc([C@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)c1 ZINC000195632416 333258252 /nfs/dbraw/zinc/25/82/52/333258252.db2.gz WEHRYDCKGARHEG-GOSISDBHSA-N 2 1 290.426 3.839 20 0 CHADMP Fc1cccc([C@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)c1 ZINC000195632416 333258253 /nfs/dbraw/zinc/25/82/53/333258253.db2.gz WEHRYDCKGARHEG-GOSISDBHSA-N 2 1 290.426 3.839 20 0 CHADMP Cc1ccc([C@H]2C[C@@H](C)[N@@H+](CCCc3c[nH+]cn3C)C2)cc1 ZINC000575931927 335132687 /nfs/dbraw/zinc/13/26/87/335132687.db2.gz RWFRLGDCNRAZDY-AEFFLSMTSA-N 2 1 297.446 3.539 20 0 CHADMP Cc1ccc([C@H]2C[C@@H](C)[N@H+](CCCc3c[nH+]cn3C)C2)cc1 ZINC000575931927 335132689 /nfs/dbraw/zinc/13/26/89/335132689.db2.gz RWFRLGDCNRAZDY-AEFFLSMTSA-N 2 1 297.446 3.539 20 0 CHADMP C[C@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000230657335 333319765 /nfs/dbraw/zinc/31/97/65/333319765.db2.gz SNCSHXXQMXSFPC-FUHWJXTLSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000230657331 333319860 /nfs/dbraw/zinc/31/98/60/333319860.db2.gz SNCSHXXQMXSFPC-SJLPKXTDSA-N 2 1 286.463 3.677 20 0 CHADMP Cc1cccc(C)c1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000524596546 333368079 /nfs/dbraw/zinc/36/80/79/333368079.db2.gz INRUFYQMEQHAQK-UHFFFAOYSA-N 2 1 288.479 3.856 20 0 CHADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3ccccc3)o2)C1 ZINC000236933563 333376545 /nfs/dbraw/zinc/37/65/45/333376545.db2.gz RDTBBBVHWAZOEX-MRXNPFEDSA-N 2 1 298.430 3.768 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3ccccc3)o2)C1 ZINC000236933563 333376546 /nfs/dbraw/zinc/37/65/46/333376546.db2.gz RDTBBBVHWAZOEX-MRXNPFEDSA-N 2 1 298.430 3.768 20 0 CHADMP Cc1cc(C)cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000524757734 333387167 /nfs/dbraw/zinc/38/71/67/333387167.db2.gz HKEURCLOEUZVCF-SFHVURJKSA-N 2 1 286.463 3.611 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CC)CCCCC2)[C@@H](C)C1 ZINC000546573671 334038583 /nfs/dbraw/zinc/03/85/83/334038583.db2.gz QVDDDHTVBLNFPE-JKSUJKDBSA-N 2 1 266.473 3.667 20 0 CHADMP CC(C)=CCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000564304660 334039686 /nfs/dbraw/zinc/03/96/86/334039686.db2.gz MEHMVYNVPUSEQN-PKOBYXMFSA-N 2 1 286.463 3.843 20 0 CHADMP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cc(F)cc(F)c1 ZINC000546932079 334055871 /nfs/dbraw/zinc/05/58/71/334055871.db2.gz LLEIFPOCFZQWFF-ZDUSSCGKSA-N 2 1 296.405 3.737 20 0 CHADMP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000564318906 334083800 /nfs/dbraw/zinc/08/38/00/334083800.db2.gz LRSUCJQEEYJEIQ-BZSNNMDCSA-N 2 1 280.500 3.911 20 0 CHADMP CC[C@@H](C[NH2+][C@@H](C)C[NH+](CC)CC)c1ccccc1 ZINC000135612108 334134567 /nfs/dbraw/zinc/13/45/67/334134567.db2.gz NOBGQEIMYKOTND-HOTGVXAUSA-N 2 1 262.441 3.500 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CC2CCC(C(C)(C)C)CC2)CC[N@H+]1C ZINC000135691860 334136430 /nfs/dbraw/zinc/13/64/30/334136430.db2.gz ODMGJLZSCRUVOY-OTBWCIGPSA-N 2 1 280.500 3.911 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1F ZINC000548884479 334178967 /nfs/dbraw/zinc/17/89/67/334178967.db2.gz KLMHKVCOMBIZJR-ZMSDIMECSA-N 2 1 299.393 3.598 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(SC)cc2)C1 ZINC000245467806 334195507 /nfs/dbraw/zinc/19/55/07/334195507.db2.gz SNJMXKWEOCMGMS-HUUCEWRRSA-N 2 1 292.492 3.791 20 0 CHADMP C[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000246910920 334271899 /nfs/dbraw/zinc/27/18/99/334271899.db2.gz FQRDXQGWUOXBQM-CYJAXWMASA-N 2 1 286.463 3.531 20 0 CHADMP CCCC[C@H](CC)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000549840267 334206337 /nfs/dbraw/zinc/20/63/37/334206337.db2.gz FXRYJTYAXHIQCL-DLBZAZTESA-N 2 1 266.473 3.621 20 0 CHADMP CCCC[C@H](CC)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000549840267 334206338 /nfs/dbraw/zinc/20/63/38/334206338.db2.gz FXRYJTYAXHIQCL-DLBZAZTESA-N 2 1 266.473 3.621 20 0 CHADMP CCCC[C@H](CC)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000549840267 334206339 /nfs/dbraw/zinc/20/63/39/334206339.db2.gz FXRYJTYAXHIQCL-DLBZAZTESA-N 2 1 266.473 3.621 20 0 CHADMP C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246972252 334273112 /nfs/dbraw/zinc/27/31/12/334273112.db2.gz GSGYBYLHWORXLW-JKSUJKDBSA-N 2 1 290.426 3.837 20 0 CHADMP C[C@@H](c1ccccc1F)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246972252 334273113 /nfs/dbraw/zinc/27/31/13/334273113.db2.gz GSGYBYLHWORXLW-JKSUJKDBSA-N 2 1 290.426 3.837 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C(C)(C)C ZINC000246975017 334273125 /nfs/dbraw/zinc/27/31/25/334273125.db2.gz JJHCCVXGOZAVIL-LSDHHAIUSA-N 2 1 254.462 3.523 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2F)CC[N@@H+]1Cc1ccccc1 ZINC000550320906 334220206 /nfs/dbraw/zinc/22/02/06/334220206.db2.gz KLGDKVHTIXYVPM-LAVFITLUSA-N 2 1 290.426 3.520 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2F)CC[N@H+]1Cc1ccccc1 ZINC000550320906 334220207 /nfs/dbraw/zinc/22/02/07/334220207.db2.gz KLGDKVHTIXYVPM-LAVFITLUSA-N 2 1 290.426 3.520 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC3CCC2CC3)C[C@H]1c1ccccc1 ZINC000550754685 334228491 /nfs/dbraw/zinc/22/84/91/334228491.db2.gz ZLPKLMJQJGVWHH-LDRSRTPNSA-N 2 1 298.474 3.990 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CC3CCC2CC3)C[C@H]1c1ccccc1 ZINC000550754685 334228492 /nfs/dbraw/zinc/22/84/92/334228492.db2.gz ZLPKLMJQJGVWHH-LDRSRTPNSA-N 2 1 298.474 3.990 20 0 CHADMP CC1=CC[C@@H]([NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000550893556 334232350 /nfs/dbraw/zinc/23/23/50/334232350.db2.gz ZIAPPEGSRVDUEK-SJORKVTESA-N 2 1 264.457 3.585 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000247027326 334274312 /nfs/dbraw/zinc/27/43/12/334274312.db2.gz NIYULDTUBNCAML-ZOFXXKQRSA-N 2 1 266.473 3.520 20 0 CHADMP CC1=CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000550934385 334234327 /nfs/dbraw/zinc/23/43/27/334234327.db2.gz BUIGAHCMAUTOAB-SJLPKXTDSA-N 2 1 276.468 3.872 20 0 CHADMP C[C@H]1C[C@@H]1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000550940891 334234661 /nfs/dbraw/zinc/23/46/61/334234661.db2.gz ZMIMMUOYSJRNQM-XMZVIZOASA-N 2 1 286.463 3.675 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC=CCC2)C[C@@H]1c1ccccc1 ZINC000551084396 334238101 /nfs/dbraw/zinc/23/81/01/334238101.db2.gz ZEPAQPKPRLACFH-OKZBNKHCSA-N 2 1 270.420 3.520 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CC=CCC2)C[C@@H]1c1ccccc1 ZINC000551084396 334238103 /nfs/dbraw/zinc/23/81/03/334238103.db2.gz ZEPAQPKPRLACFH-OKZBNKHCSA-N 2 1 270.420 3.520 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccc(F)cc2)C(C)(C)C)CC[N@@H+]1C ZINC000247065316 334274838 /nfs/dbraw/zinc/27/48/38/334274838.db2.gz PUUMSKAMCQQZLR-XOKHGSTOSA-N 2 1 292.442 3.985 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccc(F)cc2)C(C)(C)C)CC[N@H+]1C ZINC000247065316 334274839 /nfs/dbraw/zinc/27/48/39/334274839.db2.gz PUUMSKAMCQQZLR-XOKHGSTOSA-N 2 1 292.442 3.985 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CC(C(C)C)C(C)C)[C@@H](C)C1 ZINC000551553291 334253968 /nfs/dbraw/zinc/25/39/68/334253968.db2.gz ZSPNEYWSGFTDTR-DOTOQJQBSA-N 2 1 268.489 3.577 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CC(C(C)C)C(C)C)[C@@H](C)C1 ZINC000551553291 334253969 /nfs/dbraw/zinc/25/39/69/334253969.db2.gz ZSPNEYWSGFTDTR-DOTOQJQBSA-N 2 1 268.489 3.577 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC(C(C)C)C(C)C)[C@@H](C)C1 ZINC000551553291 334253971 /nfs/dbraw/zinc/25/39/71/334253971.db2.gz ZSPNEYWSGFTDTR-DOTOQJQBSA-N 2 1 268.489 3.577 20 0 CHADMP CC(C)=CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000246384614 334255195 /nfs/dbraw/zinc/25/51/95/334255195.db2.gz NGOFWECMCVKHTE-IRXDYDNUSA-N 2 1 264.457 3.539 20 0 CHADMP CC(C)=CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000246384614 334255197 /nfs/dbraw/zinc/25/51/97/334255197.db2.gz NGOFWECMCVKHTE-IRXDYDNUSA-N 2 1 264.457 3.539 20 0 CHADMP CC(C)=CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000246384614 334255198 /nfs/dbraw/zinc/25/51/98/334255198.db2.gz NGOFWECMCVKHTE-IRXDYDNUSA-N 2 1 264.457 3.539 20 0 CHADMP CC(C)=CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000246384614 334255200 /nfs/dbraw/zinc/25/52/00/334255200.db2.gz NGOFWECMCVKHTE-IRXDYDNUSA-N 2 1 264.457 3.539 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000247202638 334277468 /nfs/dbraw/zinc/27/74/68/334277468.db2.gz WMJKYAOJWHMWGN-CHWSQXEVSA-N 2 1 298.833 3.862 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1ccsc1 ZINC000552098507 334289384 /nfs/dbraw/zinc/28/93/84/334289384.db2.gz FNIZBWAQPJKTNT-ZBFHGGJFSA-N 2 1 280.481 3.533 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1ccsc1 ZINC000552098507 334289385 /nfs/dbraw/zinc/28/93/85/334289385.db2.gz FNIZBWAQPJKTNT-ZBFHGGJFSA-N 2 1 280.481 3.533 20 0 CHADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H]3CCCC(C)(C)C3)C2)C1 ZINC000552111112 334290570 /nfs/dbraw/zinc/29/05/70/334290570.db2.gz QQAQRRYRRNCLGT-WMZOPIPTSA-N 2 1 278.484 3.621 20 0 CHADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H]3CCCC(C)(C)C3)C2)C1 ZINC000552111112 334290571 /nfs/dbraw/zinc/29/05/71/334290571.db2.gz QQAQRRYRRNCLGT-WMZOPIPTSA-N 2 1 278.484 3.621 20 0 CHADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H]3CCCC(C)(C)C3)C2)C1 ZINC000552111112 334290572 /nfs/dbraw/zinc/29/05/72/334290572.db2.gz QQAQRRYRRNCLGT-WMZOPIPTSA-N 2 1 278.484 3.621 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](C)Cc2ccccc2)C1 ZINC000248573012 334306581 /nfs/dbraw/zinc/30/65/81/334306581.db2.gz MOOVHOFWSOLDME-MJGOQNOKSA-N 2 1 288.479 3.529 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000248573012 334306582 /nfs/dbraw/zinc/30/65/82/334306582.db2.gz MOOVHOFWSOLDME-MJGOQNOKSA-N 2 1 288.479 3.529 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000248573012 334306583 /nfs/dbraw/zinc/30/65/83/334306583.db2.gz MOOVHOFWSOLDME-MJGOQNOKSA-N 2 1 288.479 3.529 20 0 CHADMP COc1ccsc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000248636071 334310070 /nfs/dbraw/zinc/31/00/70/334310070.db2.gz KVESGXJFVPADDZ-UONOGXRCSA-N 2 1 296.480 3.672 20 0 CHADMP COc1ccsc1[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000248636071 334310071 /nfs/dbraw/zinc/31/00/71/334310071.db2.gz KVESGXJFVPADDZ-UONOGXRCSA-N 2 1 296.480 3.672 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CC(C)(C)C[C@H]2C)C1 ZINC000248858818 334319938 /nfs/dbraw/zinc/31/99/38/334319938.db2.gz LSBLBWSLDWCSGE-OAGGEKHMSA-N 2 1 266.473 3.521 20 0 CHADMP CCCC[C@H](CC)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000249302390 334331847 /nfs/dbraw/zinc/33/18/47/334331847.db2.gz HIBMXOUOPCMCSF-LVQVYYBASA-N 2 1 254.462 3.521 20 0 CHADMP CC[N@H+](CCCCn1cc[nH+]c1C)[C@H]1CCCC[C@H]1C ZINC000249398240 334333283 /nfs/dbraw/zinc/33/32/83/334333283.db2.gz SBASQQAVRUYWGT-WBVHZDCISA-N 2 1 277.456 3.872 20 0 CHADMP CC[N@@H+](CCCCn1cc[nH+]c1C)[C@H]1CCCC[C@H]1C ZINC000249398240 334333284 /nfs/dbraw/zinc/33/32/84/334333284.db2.gz SBASQQAVRUYWGT-WBVHZDCISA-N 2 1 277.456 3.872 20 0 CHADMP Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000249997377 334342645 /nfs/dbraw/zinc/34/26/45/334342645.db2.gz AECZTRLHCMCOFI-ZOBUZTSGSA-N 2 1 290.838 3.544 20 0 CHADMP c1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250529941 334345795 /nfs/dbraw/zinc/34/57/95/334345795.db2.gz KGYBEUXMEKWTNH-AOIWGVFYSA-N 2 1 284.447 3.671 20 0 CHADMP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000251147311 334357153 /nfs/dbraw/zinc/35/71/53/334357153.db2.gz GFFPHVZCJPIYDD-BBWFWOEESA-N 2 1 272.436 3.581 20 0 CHADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000251310734 334359776 /nfs/dbraw/zinc/35/97/76/334359776.db2.gz JXKXGTPLPHKAOL-BZSNNMDCSA-N 2 1 290.426 3.739 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251608402 334365253 /nfs/dbraw/zinc/36/52/53/334365253.db2.gz DJNCNITVVJWAKN-LBTNJELSSA-N 2 1 268.404 3.570 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000251676226 334366644 /nfs/dbraw/zinc/36/66/44/334366644.db2.gz HOZPSIKIMBSFJW-HNAYVOBHSA-N 2 1 280.415 3.523 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC(C)(C)C1 ZINC000251762138 334369123 /nfs/dbraw/zinc/36/91/23/334369123.db2.gz DQWBEKCEUGVCSM-YYHXJNRASA-N 2 1 278.484 3.806 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC(C)(C)C1 ZINC000251762138 334369125 /nfs/dbraw/zinc/36/91/25/334369125.db2.gz DQWBEKCEUGVCSM-YYHXJNRASA-N 2 1 278.484 3.806 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccccc2)C(C)C)C1 ZINC000091305981 334376031 /nfs/dbraw/zinc/37/60/31/334376031.db2.gz KOWXAGZKQLBOGK-FUHWJXTLSA-N 2 1 274.452 3.705 20 0 CHADMP Cc1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc2[nH+]1 ZINC000252672769 334384842 /nfs/dbraw/zinc/38/48/42/334384842.db2.gz CLCRTMQQNNFDOG-GJZGRUSLSA-N 2 1 281.403 3.582 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000252711954 334386022 /nfs/dbraw/zinc/38/60/22/334386022.db2.gz LAMSXIJRCYUMQY-KDOFPFPSSA-N 2 1 290.426 3.667 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000271710940 334745991 /nfs/dbraw/zinc/74/59/91/334745991.db2.gz MRGIHHVOCCALFN-MRXNPFEDSA-N 2 1 289.810 3.586 20 0 CHADMP Cc1ccncc1CCC[N@H+](CCC(C)C)C1CC1 ZINC000581337028 336052139 /nfs/dbraw/zinc/05/21/39/336052139.db2.gz QYQMSRZCTPQVAG-UHFFFAOYSA-N 2 1 260.425 3.833 20 0 CHADMP CC(C)C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccccc1 ZINC000581377915 336064785 /nfs/dbraw/zinc/06/47/85/336064785.db2.gz SUICANJBSLYOKZ-SFHVURJKSA-N 2 1 285.435 3.730 20 0 CHADMP C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382430067 336089313 /nfs/dbraw/zinc/08/93/13/336089313.db2.gz ZOSLDCWSPVBWHG-VRCPBSEVSA-N 2 1 298.474 3.675 20 0 CHADMP c1ccc(C([NH2+]CCC[NH2+]C2CC2)c2ccccc2)cc1 ZINC000382556706 336093692 /nfs/dbraw/zinc/09/36/92/336093692.db2.gz LIDBYCXGJIKAEG-UHFFFAOYSA-N 2 1 280.415 3.508 20 0 CHADMP C[C@H](CC[NH2+]Cc1ncc(C[NH+](C)C)s1)CC(C)(C)C ZINC000352738044 533941696 /nfs/dbraw/zinc/94/16/96/533941696.db2.gz LXDYPSNTQGPMEY-CYBMUJFWSA-N 2 1 297.512 3.757 20 0 CHADMP Cc1cc2cc(C[N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)oc2cc1C ZINC000347040512 534086164 /nfs/dbraw/zinc/08/61/64/534086164.db2.gz HYDNVUFGXMUFKQ-LSDHHAIUSA-N 2 1 286.419 3.609 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]3CCC[C@H]31)CCC2 ZINC000352596894 534453694 /nfs/dbraw/zinc/45/36/94/534453694.db2.gz DRKAFNKWIRXELS-NBYUQASBSA-N 2 1 298.474 3.835 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000076003191 520740777 /nfs/dbraw/zinc/74/07/77/520740777.db2.gz JALBJTIIRWFHGH-LSDHHAIUSA-N 2 1 278.415 3.550 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000076003191 520740785 /nfs/dbraw/zinc/74/07/85/520740785.db2.gz JALBJTIIRWFHGH-LSDHHAIUSA-N 2 1 278.415 3.550 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+]C2CC(c3ccc(Cl)cc3)C2)C1 ZINC000037644377 521717329 /nfs/dbraw/zinc/71/73/29/521717329.db2.gz BSPJABYFHHNXSH-BZOOQXSSSA-N 2 1 292.854 3.517 20 0 CHADMP CC[C@H](CSC)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340314518 522286114 /nfs/dbraw/zinc/28/61/14/522286114.db2.gz DHPYKELGOSNNIU-ZACQAIPSSA-N 2 1 292.492 3.553 20 0 CHADMP CC[C@H](CSC)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340314518 522286118 /nfs/dbraw/zinc/28/61/18/522286118.db2.gz DHPYKELGOSNNIU-ZACQAIPSSA-N 2 1 292.492 3.553 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]CCC2(C)CC2)C[C@@H]1c1ccccc1 ZINC000340378075 523986941 /nfs/dbraw/zinc/98/69/41/523986941.db2.gz NSLMCAWPTPVOBJ-DLBZAZTESA-N 2 1 272.436 3.602 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CCC2(C)CC2)C[C@@H]1c1ccccc1 ZINC000340378075 523986947 /nfs/dbraw/zinc/98/69/47/523986947.db2.gz NSLMCAWPTPVOBJ-DLBZAZTESA-N 2 1 272.436 3.602 20 0 CHADMP C[C@H](CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000088163915 524193732 /nfs/dbraw/zinc/19/37/32/524193732.db2.gz ORDCDBIWPXVKAT-BPIHKTFHSA-N 2 1 286.463 3.785 20 0 CHADMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1C ZINC000278908360 524332076 /nfs/dbraw/zinc/33/20/76/524332076.db2.gz GNBHRXHDQXALKF-IAGOWNOFSA-N 2 1 297.446 3.722 20 0 CHADMP Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1C ZINC000278908364 524333661 /nfs/dbraw/zinc/33/36/61/524333661.db2.gz GNBHRXHDQXALKF-IRXDYDNUSA-N 2 1 297.446 3.722 20 0 CHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000226330809 524845164 /nfs/dbraw/zinc/84/51/64/524845164.db2.gz QGSDNVAJAXYRGP-GMXVVIOVSA-N 2 1 284.806 3.599 20 0 CHADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000226330809 524845175 /nfs/dbraw/zinc/84/51/75/524845175.db2.gz QGSDNVAJAXYRGP-GMXVVIOVSA-N 2 1 284.806 3.599 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCSc2ccccc21 ZINC000037128156 524912909 /nfs/dbraw/zinc/91/29/09/524912909.db2.gz MXTZMRXYNLKUIF-RRCSTGOVSA-N 2 1 290.476 3.542 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2CC(c3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC000157619850 524921992 /nfs/dbraw/zinc/92/19/92/524921992.db2.gz BRCABFSKZYUCTJ-DUFSDNGMSA-N 2 1 292.854 3.658 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2CC(c3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC000157619850 524921997 /nfs/dbraw/zinc/92/19/97/524921997.db2.gz BRCABFSKZYUCTJ-DUFSDNGMSA-N 2 1 292.854 3.658 20 0 CHADMP Cc1ccccc1C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000296327646 525200764 /nfs/dbraw/zinc/20/07/64/525200764.db2.gz HDKFAWQDHYJROD-NXEWRWPSSA-N 2 1 298.474 3.531 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(F)cc1 ZINC000037786295 525293807 /nfs/dbraw/zinc/29/38/07/525293807.db2.gz UARJHAJKQZOMIP-ZDUSSCGKSA-N 2 1 278.415 3.739 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc2ccccc2o1 ZINC000037070891 525298558 /nfs/dbraw/zinc/29/85/58/525298558.db2.gz JBBXEZDYXZJSTE-WWTUQBGBSA-N 2 1 284.403 3.709 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc2ccccc2o1 ZINC000037070891 525298564 /nfs/dbraw/zinc/29/85/64/525298564.db2.gz JBBXEZDYXZJSTE-WWTUQBGBSA-N 2 1 284.403 3.709 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)c(Cl)c1 ZINC000037648958 525504212 /nfs/dbraw/zinc/50/42/12/525504212.db2.gz SMASBJYSNAIHSV-VXGBXAGGSA-N 2 1 296.817 3.614 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2ccccc2c1 ZINC000093978077 525567588 /nfs/dbraw/zinc/56/75/88/525567588.db2.gz ZCEYHYFIYXPBTR-YZVOILCLSA-N 2 1 282.431 3.973 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2ccccc2c1 ZINC000093978077 525567594 /nfs/dbraw/zinc/56/75/94/525567594.db2.gz ZCEYHYFIYXPBTR-YZVOILCLSA-N 2 1 282.431 3.973 20 0 CHADMP CSc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649186 526060176 /nfs/dbraw/zinc/06/01/76/526060176.db2.gz NCEYQEHAFMBTIF-ZIAGYGMSSA-N 2 1 290.476 3.543 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277082971 526071370 /nfs/dbraw/zinc/07/13/70/526071370.db2.gz FJKLWDXJJQNWIW-BBRMVZONSA-N 2 1 280.843 3.817 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277082971 526071375 /nfs/dbraw/zinc/07/13/75/526071375.db2.gz FJKLWDXJJQNWIW-BBRMVZONSA-N 2 1 280.843 3.817 20 0 CHADMP C[C@@H](c1ccccc1Cl)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277256783 526103669 /nfs/dbraw/zinc/10/36/69/526103669.db2.gz QPPAQLNFDPVYFM-KBPBESRZSA-N 2 1 280.843 3.817 20 0 CHADMP C[C@@H](c1ccccc1Cl)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277256783 526103677 /nfs/dbraw/zinc/10/36/77/526103677.db2.gz QPPAQLNFDPVYFM-KBPBESRZSA-N 2 1 280.843 3.817 20 0 CHADMP c1cc(C2CCC2)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339189591 526416939 /nfs/dbraw/zinc/41/69/39/526416939.db2.gz LEKFOYHDXTVZDR-OALUTQOASA-N 2 1 284.447 3.671 20 0 CHADMP c1[nH+]c(C2CC[NH+]([C@H]3C=CCCC3)CC2)n2c1CCCC2 ZINC000278741640 526595898 /nfs/dbraw/zinc/59/58/98/526595898.db2.gz AERLGQFQZXZDLN-INIZCTEOSA-N 2 1 285.435 3.508 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CC(F)(F)C2)cc1 ZINC000277213477 527378486 /nfs/dbraw/zinc/37/84/86/527378486.db2.gz WUYAYYOXWJBHGX-LLVKDONJSA-N 2 1 291.345 3.629 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C(C)C)C1CCCC1 ZINC000161562432 527391741 /nfs/dbraw/zinc/39/17/41/527391741.db2.gz AGSNGEPHCCHPQW-UHFFFAOYSA-N 2 1 263.429 3.625 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C(C)C)C1CCCC1 ZINC000161562432 527391744 /nfs/dbraw/zinc/39/17/44/527391744.db2.gz AGSNGEPHCCHPQW-UHFFFAOYSA-N 2 1 263.429 3.625 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000289620433 527404969 /nfs/dbraw/zinc/40/49/69/527404969.db2.gz WIGGLCMAQSFSFL-RHSMWYFYSA-N 2 1 275.440 3.554 20 0 CHADMP CC(C)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000353640914 527962843 /nfs/dbraw/zinc/96/28/43/527962843.db2.gz CYPFMDYSHXHXJA-UHFFFAOYSA-N 2 1 286.463 3.631 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc3occc3c2)C1 ZINC000347858443 528176727 /nfs/dbraw/zinc/17/67/27/528176727.db2.gz QENHXWAXLIGLFJ-INIZCTEOSA-N 2 1 286.419 3.597 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc3occc3c2)C1 ZINC000347858443 528176732 /nfs/dbraw/zinc/17/67/32/528176732.db2.gz QENHXWAXLIGLFJ-INIZCTEOSA-N 2 1 286.419 3.597 20 0 CHADMP CC1CCC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000192924957 528201134 /nfs/dbraw/zinc/20/11/34/528201134.db2.gz FHPJDCRANAGMFW-CUYAVPTFSA-N 2 1 286.463 3.677 20 0 CHADMP CC1CC[NH+](CCCCNc2cc[nH+]cc2Cl)CC1 ZINC000301551140 528237276 /nfs/dbraw/zinc/23/72/76/528237276.db2.gz YIBGDBQUAYBPBJ-UHFFFAOYSA-N 2 1 281.831 3.659 20 0 CHADMP CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352830719 529003092 /nfs/dbraw/zinc/00/30/92/529003092.db2.gz UZKYWNZPGOMMLF-ZFWWWQNUSA-N 2 1 295.496 3.653 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)o1 ZINC000126803317 1125457549 /nfs/dbraw/zinc/45/75/49/1125457549.db2.gz GECMXYUESLGACI-FFHGMXDLSA-N 2 1 276.424 3.508 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)o1 ZINC000126803317 1125457551 /nfs/dbraw/zinc/45/75/51/1125457551.db2.gz GECMXYUESLGACI-FFHGMXDLSA-N 2 1 276.424 3.508 20 0 CHADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(Cl)s1 ZINC000543484583 1120533848 /nfs/dbraw/zinc/53/38/48/1120533848.db2.gz CMUJEKUHXLBRFB-VXGBXAGGSA-N 2 1 286.872 3.927 20 0 CHADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467860 1120981868 /nfs/dbraw/zinc/98/18/68/1120981868.db2.gz IIMJNEXYMLJVTI-SJLPKXTDSA-N 2 1 278.484 3.833 20 0 CHADMP CC(C)[C@@H](C[NH2+][C@H]1CC[C@H](C)SC1)[NH+]1CCC(C)CC1 ZINC001177257233 1121720398 /nfs/dbraw/zinc/72/03/98/1121720398.db2.gz SFQNQHJRUZPJCY-YESZJQIVSA-N 2 1 298.540 3.617 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001177261708 1121721472 /nfs/dbraw/zinc/72/14/72/1121721472.db2.gz ITINYCSDWKCGTK-TVFCKZIOSA-N 2 1 280.500 3.911 20 0 CHADMP CCC[N@@H+](C[C@@H](C)[NH3+])[C@H](C)c1cc2ccccc2o1 ZINC000420295784 1121995665 /nfs/dbraw/zinc/99/56/65/1121995665.db2.gz ASNVLDYBTLLFRE-CHWSQXEVSA-N 2 1 260.381 3.553 20 0 CHADMP C[C@H](C[NH2+]C[C@H](C1CC1)[NH+](C)C)CC1CCCCC1 ZINC001199420551 1123029514 /nfs/dbraw/zinc/02/95/14/1123029514.db2.gz NUUDRYJYPAKSBV-WMLDXEAASA-N 2 1 266.473 3.523 20 0 CHADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000474034896 1123318789 /nfs/dbraw/zinc/31/87/89/1123318789.db2.gz NAXSXNZRJGGJIE-QWHCGFSZSA-N 2 1 276.415 3.520 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](CC(C)C)C2)C1 ZINC001648960398 1123446452 /nfs/dbraw/zinc/44/64/52/1123446452.db2.gz OOEAZWAOQRXKFM-KZNAEPCWSA-N 2 1 280.500 3.913 20 0 CHADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cs1 ZINC000449200206 1124671928 /nfs/dbraw/zinc/67/19/28/1124671928.db2.gz BHUQJLYSWJDPFP-OAHLLOKOSA-N 2 1 280.481 3.514 20 0 CHADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000449783604 1124869825 /nfs/dbraw/zinc/86/98/25/1124869825.db2.gz QIULHRYVTUTKLH-CHWSQXEVSA-N 2 1 292.389 3.572 20 0 CHADMP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000449783604 1124869832 /nfs/dbraw/zinc/86/98/32/1124869832.db2.gz QIULHRYVTUTKLH-CHWSQXEVSA-N 2 1 292.389 3.572 20 0 CHADMP CCCC[C@H](CC(C)C)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246556503 1131617180 /nfs/dbraw/zinc/61/71/80/1131617180.db2.gz HMDBDNJZVXJZOS-YESZJQIVSA-N 2 1 268.489 3.898 20 0 CHADMP CCCC[C@H](CC(C)C)[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246564644 1131626170 /nfs/dbraw/zinc/62/61/70/1131626170.db2.gz YCZOOLDMLAWQKF-IXDOHACOSA-N 2 1 268.489 3.898 20 0 CHADMP CC[C@@H](C)OCC[C@H](C)[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001172342986 1132177488 /nfs/dbraw/zinc/17/74/88/1132177488.db2.gz PGGAMKRRBQFQHQ-DLBZAZTESA-N 2 1 298.515 3.632 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](C)C[C@@H]2C)CC1 ZINC001173114434 1132394859 /nfs/dbraw/zinc/39/48/59/1132394859.db2.gz KCBUJRAKFLQPOX-JUVOFCAFSA-N 2 1 266.473 3.760 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC000251880980 1125518619 /nfs/dbraw/zinc/51/86/19/1125518619.db2.gz REMWPODEZYUBMY-LTIDMASMSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)([NH+](C)C)C1 ZINC000251986876 1125532682 /nfs/dbraw/zinc/53/26/82/1125532682.db2.gz ZBUPITHWSRRUPI-ZKXLYKBJSA-N 2 1 280.500 3.911 20 0 CHADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000121441300 1125561502 /nfs/dbraw/zinc/56/15/02/1125561502.db2.gz WDWKMBOKVJTDKY-HUUCEWRRSA-N 2 1 263.429 3.552 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000237463134 1125565434 /nfs/dbraw/zinc/56/54/34/1125565434.db2.gz KBMFIURDDOOACT-MRXNPFEDSA-N 2 1 299.462 3.770 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000532779084 1125579757 /nfs/dbraw/zinc/57/97/57/1125579757.db2.gz AQQTWKCKGRYLPR-UHFFFAOYSA-N 2 1 294.405 3.771 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[C@H](F)C2)cc1 ZINC000348335423 1125593149 /nfs/dbraw/zinc/59/31/49/1125593149.db2.gz QNZRNOKBPPZGMA-RCBQFDQVSA-N 2 1 287.382 3.722 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H]1CC=CCC1 ZINC000533564922 1125616339 /nfs/dbraw/zinc/61/63/39/1125616339.db2.gz GKYGSPKRRODHOY-KRWDZBQOSA-N 2 1 286.463 3.973 20 0 CHADMP COc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000248650520 1125673569 /nfs/dbraw/zinc/67/35/69/1125673569.db2.gz WSADGECZHKWZIU-KGLIPLIRSA-N 2 1 296.480 3.528 20 0 CHADMP COc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000248650520 1125673572 /nfs/dbraw/zinc/67/35/72/1125673572.db2.gz WSADGECZHKWZIU-KGLIPLIRSA-N 2 1 296.480 3.528 20 0 CHADMP Cc1[nH]c(C2CC[NH+](CCc3cccs3)CC2)[nH+]c1C ZINC000886666439 1125705994 /nfs/dbraw/zinc/70/59/94/1125705994.db2.gz SRDDTVFRQRNKSJ-UHFFFAOYSA-N 2 1 289.448 3.510 20 0 CHADMP Cc1[nH]c(C2CC[NH+]([C@@H]3CCc4ccccc43)CC2)[nH+]c1C ZINC000886663085 1125705505 /nfs/dbraw/zinc/70/55/05/1125705505.db2.gz SIOMVXAXVBIWAB-GOSISDBHSA-N 2 1 295.430 3.893 20 0 CHADMP FC(F)c1ccc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000886872711 1125722938 /nfs/dbraw/zinc/72/29/38/1125722938.db2.gz ZDJLTEMRDHWUEE-QGZVFWFLSA-N 2 1 294.389 3.590 20 0 CHADMP CC(C)C[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000037515630 1125724567 /nfs/dbraw/zinc/72/45/67/1125724567.db2.gz VIEYATQGQXYDCS-KRWDZBQOSA-N 2 1 288.479 3.718 20 0 CHADMP CC[NH2+]CCC[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000643499054 1129443137 /nfs/dbraw/zinc/44/31/37/1129443137.db2.gz PLLRQBJZRGJJKQ-ZDUSSCGKSA-N 2 1 287.234 3.570 20 0 CHADMP C[NH+](C)[C@@H](C[NH2+]C1CCC(F)(F)CC1)C1CCCCC1 ZINC000647172393 1129554641 /nfs/dbraw/zinc/55/46/41/1129554641.db2.gz VDNMOMSQKZCQPI-HNNXBMFYSA-N 2 1 288.426 3.664 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)c1 ZINC000337990118 1126706706 /nfs/dbraw/zinc/70/67/06/1126706706.db2.gz CBCWLHOYZQPEMC-RTBURBONSA-N 2 1 286.463 3.807 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1 ZINC000481731336 1126709643 /nfs/dbraw/zinc/70/96/43/1126709643.db2.gz DXYYMNRZRZMQDN-CZUORRHYSA-N 2 1 294.870 3.547 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@@H]1CCC(C)C ZINC000338011857 1126709954 /nfs/dbraw/zinc/70/99/54/1126709954.db2.gz JEWBSNYDSZBHLH-SJORKVTESA-N 2 1 277.456 3.776 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCCc2ccccc21 ZINC000338028986 1126713616 /nfs/dbraw/zinc/71/36/16/1126713616.db2.gz NHXSOZPMHJJORO-GOSISDBHSA-N 2 1 283.419 3.639 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000482233318 1126746702 /nfs/dbraw/zinc/74/67/02/1126746702.db2.gz FNQWECGSGJTYMZ-UAGQMJEPSA-N 2 1 266.473 3.808 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000482233318 1126746705 /nfs/dbraw/zinc/74/67/05/1126746705.db2.gz FNQWECGSGJTYMZ-UAGQMJEPSA-N 2 1 266.473 3.808 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1ccccc1Cl ZINC000482244981 1126746889 /nfs/dbraw/zinc/74/68/89/1126746889.db2.gz NYNYTTYICSMAJP-XJKSGUPXSA-N 2 1 294.870 3.547 20 0 CHADMP CC(C)=CCC[C@H](C)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000482242601 1126747147 /nfs/dbraw/zinc/74/71/47/1126747147.db2.gz FZOVUEJBHNHQSQ-BBWFWOEESA-N 2 1 266.473 3.831 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000482358663 1126752552 /nfs/dbraw/zinc/75/25/52/1126752552.db2.gz OTNVLTJEAUEFAU-KDOFPFPSSA-N 2 1 290.426 3.523 20 0 CHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1CCc2ccc(F)cc21 ZINC000483062961 1126766339 /nfs/dbraw/zinc/76/63/39/1126766339.db2.gz LFMSEUISFLKLOZ-AEFFLSMTSA-N 2 1 290.426 3.619 20 0 CHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1CCc2ccc(F)cc21 ZINC000483062961 1126766341 /nfs/dbraw/zinc/76/63/41/1126766341.db2.gz LFMSEUISFLKLOZ-AEFFLSMTSA-N 2 1 290.426 3.619 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@H]1CCc2ccc(F)cc21 ZINC000483062961 1126766342 /nfs/dbraw/zinc/76/63/42/1126766342.db2.gz LFMSEUISFLKLOZ-AEFFLSMTSA-N 2 1 290.426 3.619 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@H]1CCc2ccc(F)cc21 ZINC000483062961 1126766344 /nfs/dbraw/zinc/76/63/44/1126766344.db2.gz LFMSEUISFLKLOZ-AEFFLSMTSA-N 2 1 290.426 3.619 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCCC2CCCC2)C[C@H]1C ZINC000483218044 1126774175 /nfs/dbraw/zinc/77/41/75/1126774175.db2.gz FNGLZLUQBLQPGT-WBVHZDCISA-N 2 1 266.473 3.761 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCCC2CCCC2)C[C@H]1C ZINC000483218044 1126774177 /nfs/dbraw/zinc/77/41/77/1126774177.db2.gz FNGLZLUQBLQPGT-WBVHZDCISA-N 2 1 266.473 3.761 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCC2CCCC2)C[C@H]1C ZINC000483218044 1126774181 /nfs/dbraw/zinc/77/41/81/1126774181.db2.gz FNGLZLUQBLQPGT-WBVHZDCISA-N 2 1 266.473 3.761 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC000483238379 1126774391 /nfs/dbraw/zinc/77/43/91/1126774391.db2.gz CPGPZXWZYYZTCL-QGZVFWFLSA-N 2 1 266.473 3.621 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC000483238379 1126774393 /nfs/dbraw/zinc/77/43/93/1126774393.db2.gz CPGPZXWZYYZTCL-QGZVFWFLSA-N 2 1 266.473 3.621 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC000483238379 1126774394 /nfs/dbraw/zinc/77/43/94/1126774394.db2.gz CPGPZXWZYYZTCL-QGZVFWFLSA-N 2 1 266.473 3.621 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC2CCCCC2)C[C@@H]1C ZINC000483285399 1126778488 /nfs/dbraw/zinc/77/84/88/1126778488.db2.gz YGBNKLWVIUBEFD-DOTOQJQBSA-N 2 1 266.473 3.761 20 0 CHADMP CC[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000251808048 1126796750 /nfs/dbraw/zinc/79/67/50/1126796750.db2.gz OKUQMXJNKFPZOX-CIQAELJKSA-N 2 1 278.484 3.950 20 0 CHADMP CC[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000251808048 1126796753 /nfs/dbraw/zinc/79/67/53/1126796753.db2.gz OKUQMXJNKFPZOX-CIQAELJKSA-N 2 1 278.484 3.950 20 0 CHADMP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000251893497 1126799134 /nfs/dbraw/zinc/79/91/34/1126799134.db2.gz WEYJIGBZYALIJO-QZWWFDLISA-N 2 1 264.457 3.562 20 0 CHADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(C)c1F ZINC000483735166 1126799490 /nfs/dbraw/zinc/79/94/90/1126799490.db2.gz VNILHATXDHFHCC-OFQRWUPVSA-N 2 1 278.415 3.576 20 0 CHADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(C)c1F ZINC000483735166 1126799494 /nfs/dbraw/zinc/79/94/94/1126799494.db2.gz VNILHATXDHFHCC-OFQRWUPVSA-N 2 1 278.415 3.576 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000178033905 1126808710 /nfs/dbraw/zinc/80/87/10/1126808710.db2.gz NFDMFAADAKGAFF-HNNXBMFYSA-N 2 1 285.435 3.617 20 0 CHADMP Cc1cc[nH+]c(NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000178040257 1126808775 /nfs/dbraw/zinc/80/87/75/1126808775.db2.gz ZEPFLXXHDBRLPN-UHFFFAOYSA-N 2 1 281.403 3.598 20 0 CHADMP CC[N@@H+](Cc1ccc2ccccc2c1)C[C@@H]([NH3+])CC(F)F ZINC000903884386 1126814777 /nfs/dbraw/zinc/81/47/77/1126814777.db2.gz YHXUGKSKDDZUCE-INIZCTEOSA-N 2 1 292.373 3.644 20 0 CHADMP CC[N@H+](Cc1ccc2ccccc2c1)C[C@@H]([NH3+])CC(F)F ZINC000903884386 1126814779 /nfs/dbraw/zinc/81/47/79/1126814779.db2.gz YHXUGKSKDDZUCE-INIZCTEOSA-N 2 1 292.373 3.644 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000178707263 1126819393 /nfs/dbraw/zinc/81/93/93/1126819393.db2.gz WFRNEDDYAUYLOP-KGLIPLIRSA-N 2 1 297.402 3.925 20 0 CHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)nc2)C1 ZINC000179121509 1126824211 /nfs/dbraw/zinc/82/42/11/1126824211.db2.gz VPEJNSHLUFYGAI-KBPBESRZSA-N 2 1 295.858 3.506 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)nc2)C1 ZINC000179121509 1126824214 /nfs/dbraw/zinc/82/42/14/1126824214.db2.gz VPEJNSHLUFYGAI-KBPBESRZSA-N 2 1 295.858 3.506 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000179509407 1126829991 /nfs/dbraw/zinc/82/99/91/1126829991.db2.gz FECLRLYTSOODOY-UHFFFAOYSA-N 2 1 295.789 3.506 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000179509407 1126829995 /nfs/dbraw/zinc/82/99/95/1126829995.db2.gz FECLRLYTSOODOY-UHFFFAOYSA-N 2 1 295.789 3.506 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000484625113 1126836999 /nfs/dbraw/zinc/83/69/99/1126836999.db2.gz SXDGXSPXRPJMFB-GUDVDZBRSA-N 2 1 286.463 3.787 20 0 CHADMP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904308595 1126844039 /nfs/dbraw/zinc/84/40/39/1126844039.db2.gz SLIZTRCJVFHMPA-FOGDFJRCSA-N 2 1 287.234 3.724 20 0 CHADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904337303 1126845101 /nfs/dbraw/zinc/84/51/01/1126845101.db2.gz URTTUSFVKZLEEX-JBLDHEPKSA-N 2 1 287.234 3.724 20 0 CHADMP C[N@@H+](CCCCCC[NH3+])Cc1ccc(C(F)F)c(F)c1 ZINC000904384658 1126852012 /nfs/dbraw/zinc/85/20/12/1126852012.db2.gz LDEUYCKMPRQKDG-UHFFFAOYSA-N 2 1 288.357 3.714 20 0 CHADMP C[C@@H](CCc1cccc(F)c1)[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000183356906 1126885840 /nfs/dbraw/zinc/88/58/40/1126885840.db2.gz UODSPOJBOUMOPP-HDMKZQKVSA-N 2 1 292.442 3.561 20 0 CHADMP C[C@@H](CCc1cccc(F)c1)[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000183356906 1126885842 /nfs/dbraw/zinc/88/58/42/1126885842.db2.gz UODSPOJBOUMOPP-HDMKZQKVSA-N 2 1 292.442 3.561 20 0 CHADMP C[C@@H](CCc1cccc(F)c1)[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000183356906 1126885844 /nfs/dbraw/zinc/88/58/44/1126885844.db2.gz UODSPOJBOUMOPP-HDMKZQKVSA-N 2 1 292.442 3.561 20 0 CHADMP C[C@@H](CCc1cccc(F)c1)[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000183356906 1126885847 /nfs/dbraw/zinc/88/58/47/1126885847.db2.gz UODSPOJBOUMOPP-HDMKZQKVSA-N 2 1 292.442 3.561 20 0 CHADMP FC(F)c1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252707148 1126900813 /nfs/dbraw/zinc/90/08/13/1126900813.db2.gz WEXHTMTUIAQPSN-JKSUJKDBSA-N 2 1 294.389 3.588 20 0 CHADMP FC(F)c1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252707148 1126900815 /nfs/dbraw/zinc/90/08/15/1126900815.db2.gz WEXHTMTUIAQPSN-JKSUJKDBSA-N 2 1 294.389 3.588 20 0 CHADMP CCCC[NH+](CCCC)CCCO[C@H]1CCC[N@@H+](C)CC1 ZINC001224754834 1126961840 /nfs/dbraw/zinc/96/18/40/1126961840.db2.gz GTEZVPXLLQQCNZ-SFHVURJKSA-N 2 1 298.515 3.780 20 0 CHADMP CC(C)[N@@H+](Cc1ccccc1)C1CCN(CC2CC2)CC1 ZINC001168370739 1126966609 /nfs/dbraw/zinc/96/66/09/1126966609.db2.gz GALUUOCZRWIKSG-UHFFFAOYSA-N 2 1 286.463 3.771 20 0 CHADMP CC(C)[N@H+](Cc1ccccc1)C1CC[NH+](CC2CC2)CC1 ZINC001168370739 1126966610 /nfs/dbraw/zinc/96/66/10/1126966610.db2.gz GALUUOCZRWIKSG-UHFFFAOYSA-N 2 1 286.463 3.771 20 0 CHADMP CC(C)[N@@H+](Cc1ccccc1)C1CC[NH+](CC2CC2)CC1 ZINC001168370739 1126966613 /nfs/dbraw/zinc/96/66/13/1126966613.db2.gz GALUUOCZRWIKSG-UHFFFAOYSA-N 2 1 286.463 3.771 20 0 CHADMP Clc1cccc(C[NH+]2CC3(C2)CCC[NH2+]CC3)c1Cl ZINC001236007962 1130831768 /nfs/dbraw/zinc/83/17/68/1130831768.db2.gz HLIREPKOPCYMLU-UHFFFAOYSA-N 2 1 299.245 3.569 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)CC[C@@H](C)CC(C)(C)C)CC1 ZINC001236213267 1130891248 /nfs/dbraw/zinc/89/12/48/1130891248.db2.gz MTXHMHJWDFBMRD-QQFBHYJXSA-N 2 1 268.489 3.911 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000668713210 1127012407 /nfs/dbraw/zinc/01/24/07/1127012407.db2.gz IVFVRDPVQFJSSF-BHIYHBOVSA-N 2 1 298.474 3.534 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCc2sccc21 ZINC000268905965 1127027858 /nfs/dbraw/zinc/02/78/58/1127027858.db2.gz NEOZIXBNNVMBRR-DOMZBBRYSA-N 2 1 289.448 3.556 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)s1 ZINC000269059446 1127034641 /nfs/dbraw/zinc/03/46/41/1127034641.db2.gz XLNVNQANWJVDRD-ZDUSSCGKSA-N 2 1 278.465 3.724 20 0 CHADMP Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CCn2cc[nH+]c2C)o1 ZINC000270910287 1127063442 /nfs/dbraw/zinc/06/34/42/1127063442.db2.gz SSYDZDLHALOBSF-BBRMVZONSA-N 2 1 287.407 3.566 20 0 CHADMP Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CCn2cc[nH+]c2C)o1 ZINC000270910287 1127063446 /nfs/dbraw/zinc/06/34/46/1127063446.db2.gz SSYDZDLHALOBSF-BBRMVZONSA-N 2 1 287.407 3.566 20 0 CHADMP C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)o1 ZINC000271141299 1127070057 /nfs/dbraw/zinc/07/00/57/1127070057.db2.gz XAHPBYPZTOGDDK-UMVBOHGHSA-N 2 1 285.391 3.506 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000488301784 1127070589 /nfs/dbraw/zinc/07/05/89/1127070589.db2.gz UADZUNNKYHUTBH-IEBWSBKVSA-N 2 1 298.474 3.631 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+]1CC(C)(C)C[C@H]1c1ccccc1 ZINC000653770016 1127073859 /nfs/dbraw/zinc/07/38/59/1127073859.db2.gz VXVVJCSKSCIFDN-SFHVURJKSA-N 2 1 297.446 3.826 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+]1CC(C)(C)C[C@H]1c1ccccc1 ZINC000653770016 1127073863 /nfs/dbraw/zinc/07/38/63/1127073863.db2.gz VXVVJCSKSCIFDN-SFHVURJKSA-N 2 1 297.446 3.826 20 0 CHADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237060286 1131042749 /nfs/dbraw/zinc/04/27/49/1131042749.db2.gz ZHJYGYOCCVHRDX-FUHWJXTLSA-N 2 1 298.515 3.669 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1csc(C(F)(F)F)c1 ZINC000924850992 1127113891 /nfs/dbraw/zinc/11/38/91/1127113891.db2.gz AEMDGJCQCHNDIK-VHSXEESVSA-N 2 1 294.386 3.758 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(Cl)cc1C ZINC000349357341 1127148099 /nfs/dbraw/zinc/14/80/99/1127148099.db2.gz WRXKKDGTUHNSNG-UHFFFAOYSA-N 2 1 291.826 3.675 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(Cl)cc1C ZINC000349357341 1127148101 /nfs/dbraw/zinc/14/81/01/1127148101.db2.gz WRXKKDGTUHNSNG-UHFFFAOYSA-N 2 1 291.826 3.675 20 0 CHADMP CC[N@@H+](Cc1cccs1)Cc1ccc(C[NH+](C)C)cc1 ZINC000349545258 1127154591 /nfs/dbraw/zinc/15/45/91/1127154591.db2.gz QLUGQDJTYDHIMP-UHFFFAOYSA-N 2 1 288.460 3.832 20 0 CHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H]1c1ccsc1 ZINC000351619920 1127199374 /nfs/dbraw/zinc/19/93/74/1127199374.db2.gz OESSIBWEFYJYEZ-CVEARBPZSA-N 2 1 278.465 3.759 20 0 CHADMP Cc1c(Cl)cccc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001237737745 1131134624 /nfs/dbraw/zinc/13/46/24/1131134624.db2.gz IMWUFKIFZBJEPL-UHFFFAOYSA-N 2 1 280.843 3.566 20 0 CHADMP C[C@H](F)CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000351872594 1127211774 /nfs/dbraw/zinc/21/17/74/1127211774.db2.gz DWJLZRHWFIQPEO-BQFCYCMXSA-N 2 1 292.442 3.719 20 0 CHADMP C[C@H](F)CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000351872594 1127211776 /nfs/dbraw/zinc/21/17/76/1127211776.db2.gz DWJLZRHWFIQPEO-BQFCYCMXSA-N 2 1 292.442 3.719 20 0 CHADMP C[C@H](F)CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000351872594 1127211778 /nfs/dbraw/zinc/21/17/78/1127211778.db2.gz DWJLZRHWFIQPEO-BQFCYCMXSA-N 2 1 292.442 3.719 20 0 CHADMP C[C@H](F)CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000351872594 1127211779 /nfs/dbraw/zinc/21/17/79/1127211779.db2.gz DWJLZRHWFIQPEO-BQFCYCMXSA-N 2 1 292.442 3.719 20 0 CHADMP C(C1CC1)[NH+]1CCC([N@H+]2CCC[C@H]2C2CCCCC2)CC1 ZINC001168387675 1127214452 /nfs/dbraw/zinc/21/44/52/1127214452.db2.gz PHNHZUWAOSVJFW-IBGZPJMESA-N 2 1 290.495 3.906 20 0 CHADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(C(F)F)cc2)C1 ZINC000572648016 1127223424 /nfs/dbraw/zinc/22/34/24/1127223424.db2.gz LCROCQZMZDBQLA-CVEARBPZSA-N 2 1 294.389 3.540 20 0 CHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(C(F)F)cc2)C1 ZINC000572648016 1127223425 /nfs/dbraw/zinc/22/34/25/1127223425.db2.gz LCROCQZMZDBQLA-CVEARBPZSA-N 2 1 294.389 3.540 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC000590786925 1127272527 /nfs/dbraw/zinc/27/25/27/1127272527.db2.gz VFSAGEBXUSUJQS-HNNXBMFYSA-N 2 1 292.442 3.939 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCc2ccccc2)CC1 ZINC000590786473 1127272586 /nfs/dbraw/zinc/27/25/86/1127272586.db2.gz BQLKBNGNDYNXQU-UHFFFAOYSA-N 2 1 288.479 3.671 20 0 CHADMP Cc1cc(C)cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000590818994 1127275148 /nfs/dbraw/zinc/27/51/48/1127275148.db2.gz PYDDCYUDYFECAI-UHFFFAOYSA-N 2 1 288.479 3.856 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C3CCC4(CC4)CC3)C2)cc1 ZINC000355215728 1127326149 /nfs/dbraw/zinc/32/61/49/1127326149.db2.gz HJRCHTWPVRDPEA-SFHVURJKSA-N 2 1 298.474 3.821 20 0 CHADMP C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000480219770 1127362982 /nfs/dbraw/zinc/36/29/82/1127362982.db2.gz DAOOJGMAOTYZIG-QWHCGFSZSA-N 2 1 292.389 3.714 20 0 CHADMP C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000480219770 1127362983 /nfs/dbraw/zinc/36/29/83/1127362983.db2.gz DAOOJGMAOTYZIG-QWHCGFSZSA-N 2 1 292.389 3.714 20 0 CHADMP CC[C@H](CN[C@H](C)c1ccccc1C)[NH+]1CCCC1 ZINC000480791181 1127381980 /nfs/dbraw/zinc/38/19/80/1127381980.db2.gz ZSSKEXGZKDXIMM-HZPDHXFCSA-N 2 1 260.425 3.520 20 0 CHADMP CC[C@H](C[NH2+][C@H](C)c1ccccc1C)[NH+]1CCCC1 ZINC000480791181 1127381984 /nfs/dbraw/zinc/38/19/84/1127381984.db2.gz ZSSKEXGZKDXIMM-HZPDHXFCSA-N 2 1 260.425 3.520 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2SC)C[C@H]1C ZINC000358030283 1127397775 /nfs/dbraw/zinc/39/77/75/1127397775.db2.gz GLSZARZKBRBTER-ZBFHGGJFSA-N 2 1 292.492 3.713 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2SC)C[C@H]1C ZINC000358030283 1127397777 /nfs/dbraw/zinc/39/77/77/1127397777.db2.gz GLSZARZKBRBTER-ZBFHGGJFSA-N 2 1 292.492 3.713 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2SC)C[C@H]1C ZINC000358030283 1127397780 /nfs/dbraw/zinc/39/77/80/1127397780.db2.gz GLSZARZKBRBTER-ZBFHGGJFSA-N 2 1 292.492 3.713 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2SC)C[C@H]1C ZINC000358030283 1127397783 /nfs/dbraw/zinc/39/77/83/1127397783.db2.gz GLSZARZKBRBTER-ZBFHGGJFSA-N 2 1 292.492 3.713 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CCC1CCCC1 ZINC000358090374 1127401856 /nfs/dbraw/zinc/40/18/56/1127401856.db2.gz DIRPDNOLWBMTDS-LSDHHAIUSA-N 2 1 277.456 3.776 20 0 CHADMP CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000358184621 1127407118 /nfs/dbraw/zinc/40/71/18/1127407118.db2.gz FUFCPAYIINXSJY-AYHJJNSGSA-N 2 1 284.447 3.572 20 0 CHADMP c1ccc(CC2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)cc1 ZINC000358282101 1127412859 /nfs/dbraw/zinc/41/28/59/1127412859.db2.gz BHGOVFZRWALYQI-MOPGFXCFSA-N 2 1 298.474 3.616 20 0 CHADMP c1ccc2c(c1)CC[C@H]2[N@@H+](CCC1CC[NH2+]CC1)C1CC1 ZINC000359226215 1127454891 /nfs/dbraw/zinc/45/48/91/1127454891.db2.gz ULFWQSAAWLFFMI-LJQANCHMSA-N 2 1 284.447 3.528 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)CCCO2 ZINC000359644104 1127471637 /nfs/dbraw/zinc/47/16/37/1127471637.db2.gz ZBISGZXEOHWBJB-KRWDZBQOSA-N 2 1 290.451 3.529 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+](C)C(C)C)CCCO2 ZINC000359644104 1127471638 /nfs/dbraw/zinc/47/16/38/1127471638.db2.gz ZBISGZXEOHWBJB-KRWDZBQOSA-N 2 1 290.451 3.529 20 0 CHADMP CCC(CC)(CC)C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000359686528 1127472842 /nfs/dbraw/zinc/47/28/42/1127472842.db2.gz MVYUENGRYGQHFM-AWEZNQCLSA-N 2 1 265.445 3.634 20 0 CHADMP CCC(CC)(CC)C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000359686529 1127472984 /nfs/dbraw/zinc/47/29/84/1127472984.db2.gz MVYUENGRYGQHFM-CQSZACIVSA-N 2 1 265.445 3.634 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(C3CC3)c2)CC1 ZINC000293583778 1127507021 /nfs/dbraw/zinc/50/70/21/1127507021.db2.gz FAOHFSBSAAKRLH-AWEZNQCLSA-N 2 1 272.436 3.699 20 0 CHADMP CC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cc(Cl)ccc1OC ZINC000360858992 1127515786 /nfs/dbraw/zinc/51/57/86/1127515786.db2.gz MNQJOUWNOCSTFO-WFASDCNBSA-N 2 1 298.858 3.730 20 0 CHADMP CC(C)C1([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000293748805 1127517349 /nfs/dbraw/zinc/51/73/49/1127517349.db2.gz QCHWLXKFMOHLEO-WMZOPIPTSA-N 2 1 286.463 3.675 20 0 CHADMP Cc1nc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cs1 ZINC000361078694 1127536646 /nfs/dbraw/zinc/53/66/46/1127536646.db2.gz ISUATDWPOSJPPX-ZIAGYGMSSA-N 2 1 295.496 3.757 20 0 CHADMP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000361080111 1127536549 /nfs/dbraw/zinc/53/65/49/1127536549.db2.gz NVPNLNYOVZYPQL-GUYCJALGSA-N 2 1 299.462 3.665 20 0 CHADMP C[C@@H]1CCCC[N@@H+]1CCCNc1cc[nH+]c2ccsc21 ZINC000361158220 1127543368 /nfs/dbraw/zinc/54/33/68/1127543368.db2.gz CMOITCPBFBLQME-CYBMUJFWSA-N 2 1 289.448 3.973 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCNc1cc[nH+]c2ccsc21 ZINC000361158220 1127543370 /nfs/dbraw/zinc/54/33/70/1127543370.db2.gz CMOITCPBFBLQME-CYBMUJFWSA-N 2 1 289.448 3.973 20 0 CHADMP CCC1([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000294670727 1127590584 /nfs/dbraw/zinc/59/05/84/1127590584.db2.gz AUAQKLGJQIMGBT-ZDUSSCGKSA-N 2 1 269.392 3.774 20 0 CHADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000682375730 1127644214 /nfs/dbraw/zinc/64/42/14/1127644214.db2.gz MSXQQNWEAYGVIE-ILOCAZANSA-N 2 1 278.484 3.664 20 0 CHADMP C[N@@H+]1CCC[C@@H](C[NH2+]CC(C)(C)C)[C@@H]1c1cccs1 ZINC000608059371 1127842191 /nfs/dbraw/zinc/84/21/91/1127842191.db2.gz CQAVFAFIQKNVKE-DZGCQCFKSA-N 2 1 280.481 3.767 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH2+]CC(C)(C)C)[C@@H]1c1cccs1 ZINC000608059371 1127842195 /nfs/dbraw/zinc/84/21/95/1127842195.db2.gz CQAVFAFIQKNVKE-DZGCQCFKSA-N 2 1 280.481 3.767 20 0 CHADMP CC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccs1 ZINC000373524614 1127848381 /nfs/dbraw/zinc/84/83/81/1127848381.db2.gz TXHYGGYOZWPWHD-YMAMQOFZSA-N 2 1 278.465 3.806 20 0 CHADMP C[C@H]1CCC[NH+]1CCCCCC[N@@H+]1CCC[C@@H]1C ZINC000173988972 1127864566 /nfs/dbraw/zinc/86/45/66/1127864566.db2.gz CDZVNGRRTPCJPL-HOTGVXAUSA-N 2 1 252.446 3.515 20 0 CHADMP CC[C@@H]1C[C@H](C)C[NH+]1CC(C)C[N@@H+]1C[C@@H](C)C[C@H]1CC ZINC000608758179 1127888510 /nfs/dbraw/zinc/88/85/10/1127888510.db2.gz OWUIGQGAHACDSX-CWLKWCNXSA-N 2 1 280.500 3.863 20 0 CHADMP CCCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)cc1 ZINC000539791683 1127939737 /nfs/dbraw/zinc/93/97/37/1127939737.db2.gz JYRBYPTXQOCRSF-LPHOPBHVSA-N 2 1 288.479 3.944 20 0 CHADMP CCCc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000539791683 1127939743 /nfs/dbraw/zinc/93/97/43/1127939743.db2.gz JYRBYPTXQOCRSF-LPHOPBHVSA-N 2 1 288.479 3.944 20 0 CHADMP CCCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000539791683 1127939748 /nfs/dbraw/zinc/93/97/48/1127939748.db2.gz JYRBYPTXQOCRSF-LPHOPBHVSA-N 2 1 288.479 3.944 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+][C@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000669846965 1127949175 /nfs/dbraw/zinc/94/91/75/1127949175.db2.gz RBCJNKZPWHHSBH-HAGHYFMRSA-N 2 1 298.474 3.677 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2csc3ccccc23)[C@H](C)C1 ZINC000540195233 1127969198 /nfs/dbraw/zinc/96/91/98/1127969198.db2.gz OXNLTJCMIXMZAY-CZUORRHYSA-N 2 1 288.460 3.721 20 0 CHADMP CCC(CC)(C[NH2+]C(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000540596150 1127985147 /nfs/dbraw/zinc/98/51/47/1127985147.db2.gz PCCSFMWLFPBJJD-HNNXBMFYSA-N 2 1 262.441 3.894 20 0 CHADMP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000300307810 1127998473 /nfs/dbraw/zinc/99/84/73/1127998473.db2.gz GIGFZQDKVYWJJO-QZWWFDLISA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000300307810 1127998476 /nfs/dbraw/zinc/99/84/76/1127998476.db2.gz GIGFZQDKVYWJJO-QZWWFDLISA-N 2 1 266.473 3.664 20 0 CHADMP CCC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CCCCC1 ZINC000545161389 1128002981 /nfs/dbraw/zinc/00/29/81/1128002981.db2.gz UFEANKWQEGVBOQ-HRCADAONSA-N 2 1 266.473 3.665 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cc2C)[C@H](C)C1 ZINC000468392764 1128005458 /nfs/dbraw/zinc/00/54/58/1128005458.db2.gz NGBLMOVHLXMAIX-RHSMWYFYSA-N 2 1 294.870 3.811 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2C)[C@H](C)C1 ZINC000468392764 1128005463 /nfs/dbraw/zinc/00/54/63/1128005463.db2.gz NGBLMOVHLXMAIX-RHSMWYFYSA-N 2 1 294.870 3.811 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2C)[C@H](C)C1 ZINC000468392764 1128005468 /nfs/dbraw/zinc/00/54/68/1128005468.db2.gz NGBLMOVHLXMAIX-RHSMWYFYSA-N 2 1 294.870 3.811 20 0 CHADMP C[C@@H]1CC[C@@H](C)[NH+]1CCCCC[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000466653659 1128010771 /nfs/dbraw/zinc/01/07/71/1128010771.db2.gz CPUOZCBUPPOTAB-VQHPVUNQSA-N 2 1 266.473 3.902 20 0 CHADMP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccccc1F ZINC000545518899 1128017444 /nfs/dbraw/zinc/01/74/44/1128017444.db2.gz FDJQVHSAYNFSBM-CQSZACIVSA-N 2 1 278.415 3.598 20 0 CHADMP CCS[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000469777470 1128053124 /nfs/dbraw/zinc/05/31/24/1128053124.db2.gz XJIWBQHOSDICDQ-HRCADAONSA-N 2 1 284.513 3.515 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1C=CCCC1 ZINC000469777328 1128053162 /nfs/dbraw/zinc/05/31/62/1128053162.db2.gz WYLJCXUSWVDIJR-KVPLUYHFSA-N 2 1 298.474 3.841 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)CCCc2ccc(C)cc2)CC1 ZINC000542281025 1128060805 /nfs/dbraw/zinc/06/08/05/1128060805.db2.gz RTXFOVYJAZPTPY-UHFFFAOYSA-N 2 1 288.479 3.734 20 0 CHADMP Cc1cc2cc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)oc2cc1C ZINC000470011112 1128061918 /nfs/dbraw/zinc/06/19/18/1128061918.db2.gz GPMPXERCQDYNFQ-SJPCQFCGSA-N 2 1 298.430 3.764 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C(C)C)C2)[C@@H](C)C1 ZINC000470167241 1128064329 /nfs/dbraw/zinc/06/43/29/1128064329.db2.gz NVGUDXRGVXBQDD-HZMVEIRTSA-N 2 1 266.473 3.521 20 0 CHADMP C[NH+](Cc1ccccc1C[N@H+](C)C1CCC1)C1CCC1 ZINC000173613474 1128091486 /nfs/dbraw/zinc/09/14/86/1128091486.db2.gz SVONNTFFTQHJMV-UHFFFAOYSA-N 2 1 272.436 3.655 20 0 CHADMP CCC[C@H](CC)[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001257255937 1128099625 /nfs/dbraw/zinc/09/96/25/1128099625.db2.gz CAUKBXVBHPOIIQ-KRWDZBQOSA-N 2 1 278.484 3.906 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1 ZINC000174946258 1128109339 /nfs/dbraw/zinc/10/93/39/1128109339.db2.gz ZWBCRAFCWAOHKI-GJZGRUSLSA-N 2 1 278.415 3.550 20 0 CHADMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000174946258 1128109342 /nfs/dbraw/zinc/10/93/42/1128109342.db2.gz ZWBCRAFCWAOHKI-GJZGRUSLSA-N 2 1 278.415 3.550 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000174946258 1128109346 /nfs/dbraw/zinc/10/93/46/1128109346.db2.gz ZWBCRAFCWAOHKI-GJZGRUSLSA-N 2 1 278.415 3.550 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000174946258 1128109349 /nfs/dbraw/zinc/10/93/49/1128109349.db2.gz ZWBCRAFCWAOHKI-GJZGRUSLSA-N 2 1 278.415 3.550 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000174946258 1128109353 /nfs/dbraw/zinc/10/93/53/1128109353.db2.gz ZWBCRAFCWAOHKI-GJZGRUSLSA-N 2 1 278.415 3.550 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@H]1C(C)(C)C ZINC000925132263 1128122680 /nfs/dbraw/zinc/12/26/80/1128122680.db2.gz HZQPDCIJTBLUQO-HZPDHXFCSA-N 2 1 277.456 3.776 20 0 CHADMP CC[C@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)c1ccncc1 ZINC000925130019 1128122857 /nfs/dbraw/zinc/12/28/57/1128122857.db2.gz LQARZHYYUVSYOV-SFHVURJKSA-N 2 1 289.467 3.633 20 0 CHADMP CC1(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC(F)(F)C1 ZINC000925732752 1128138789 /nfs/dbraw/zinc/13/87/89/1128138789.db2.gz CSRXOCRJFYUCNR-LSDHHAIUSA-N 2 1 294.389 3.505 20 0 CHADMP C[C@@H]([NH3+])[C@@H]([NH2+]C1CCC2(CC2(F)F)CC1)c1ccccc1 ZINC000925710523 1128137752 /nfs/dbraw/zinc/13/77/52/1128137752.db2.gz XIGZQTGCOMGNCO-GOTCIRLWSA-N 2 1 294.389 3.633 20 0 CHADMP CSC1CCC(C[NH2+][C@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000925802286 1128142243 /nfs/dbraw/zinc/14/22/43/1128142243.db2.gz KYKJLPHWOKLZGS-LYSZQXJVSA-N 2 1 292.492 3.586 20 0 CHADMP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3F)c2ccccc21 ZINC000925779693 1128142314 /nfs/dbraw/zinc/14/23/14/1128142314.db2.gz ONWHCKLXATXCDK-KSZLIROESA-N 2 1 282.362 3.547 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)C2CCCCCC2)C1 ZINC000542476774 1128162401 /nfs/dbraw/zinc/16/24/01/1128162401.db2.gz CCKWKVMHEGCAJF-HZPDHXFCSA-N 2 1 266.473 3.667 20 0 CHADMP Cc1ncc([C@H](C)[NH2+]C2CC[NH+](CCC(C)C)CC2)s1 ZINC000926787902 1128194394 /nfs/dbraw/zinc/19/43/94/1128194394.db2.gz XMAJNDDLEJKECB-ZDUSSCGKSA-N 2 1 295.496 3.613 20 0 CHADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000231439011 1128258370 /nfs/dbraw/zinc/25/83/70/1128258370.db2.gz PXFIUZYKQAQFJV-YJBOKZPZSA-N 2 1 298.430 3.654 20 0 CHADMP CCCCCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001257363483 1128275509 /nfs/dbraw/zinc/27/55/09/1128275509.db2.gz TYVLTJPSCJXCJY-JYJNAYRXSA-N 2 1 254.462 3.808 20 0 CHADMP CC(C)CC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CCCC1 ZINC000167011514 1129227860 /nfs/dbraw/zinc/22/78/60/1129227860.db2.gz IWSQEGAVPANEPQ-CVEARBPZSA-N 2 1 266.473 3.523 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235033244 1128291773 /nfs/dbraw/zinc/29/17/73/1128291773.db2.gz WLTSYVDPUVYROZ-LIMHQNJXSA-N 2 1 264.457 3.589 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[NH+]1CCC([NH+](C)C)CC1 ZINC000193413425 1128292551 /nfs/dbraw/zinc/29/25/51/1128292551.db2.gz VFXPCXIKFAHRFJ-OAHLLOKOSA-N 2 1 282.431 3.927 20 0 CHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3)cc2)CC[N@H+]1C ZINC000316592447 1128335413 /nfs/dbraw/zinc/33/54/13/1128335413.db2.gz FXYOPJIZRFFYQL-OXJNMPFZSA-N 2 1 294.442 3.926 20 0 CHADMP CCCC[NH+](C)Cc1cncc(C[N@H+](C)CCCC)c1 ZINC000562687884 1128418310 /nfs/dbraw/zinc/41/83/10/1128418310.db2.gz MXFHGGNPVBNKOB-UHFFFAOYSA-N 2 1 277.456 3.545 20 0 CHADMP CC(C)CCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000393969696 1128350848 /nfs/dbraw/zinc/35/08/48/1128350848.db2.gz OYSVGQUGBSUKAO-MJGOQNOKSA-N 2 1 288.479 3.923 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000562078082 1128376727 /nfs/dbraw/zinc/37/67/27/1128376727.db2.gz RSWQIKPZCNPUCU-IXDOHACOSA-N 2 1 280.500 3.769 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC1(C)C ZINC000397695086 1128379506 /nfs/dbraw/zinc/37/95/06/1128379506.db2.gz YROUGUZOFDYWRC-JQHSSLGASA-N 2 1 286.463 3.533 20 0 CHADMP Cc1ccc(C)c(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000798957458 1128420053 /nfs/dbraw/zinc/42/00/53/1128420053.db2.gz XTFGXGYZNXUDFJ-UHFFFAOYSA-N 2 1 286.463 3.611 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc3ccccc32)C1 ZINC000037644129 1128433728 /nfs/dbraw/zinc/43/37/28/1128433728.db2.gz SFIMVMBBGGQFLF-JKSUJKDBSA-N 2 1 282.431 3.832 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc3ccccc3c2)C1 ZINC000037644044 1128433774 /nfs/dbraw/zinc/43/37/74/1128433774.db2.gz UIGCVVUXCZETGX-HOTGVXAUSA-N 2 1 282.431 3.832 20 0 CHADMP CCCc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649256 1128434802 /nfs/dbraw/zinc/43/48/02/1128434802.db2.gz LTGCRVDHINGBPX-RDJZCZTQSA-N 2 1 286.463 3.774 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC000037772120 1128435580 /nfs/dbraw/zinc/43/55/80/1128435580.db2.gz TUZDKYQBBYEBKW-MGNMYUMUSA-N 2 1 272.436 3.579 20 0 CHADMP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1cccc(O)c1 ZINC000037901119 1128436936 /nfs/dbraw/zinc/43/69/36/1128436936.db2.gz GYCWXFRZOMCOFT-OAHLLOKOSA-N 2 1 290.451 3.697 20 0 CHADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cccc(O)c1 ZINC000037901119 1128436940 /nfs/dbraw/zinc/43/69/40/1128436940.db2.gz GYCWXFRZOMCOFT-OAHLLOKOSA-N 2 1 290.451 3.697 20 0 CHADMP C[C@@H](F)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000564230302 1128499478 /nfs/dbraw/zinc/49/94/78/1128499478.db2.gz FPCILAVFDJCDQC-DDBAPUKQSA-N 2 1 290.426 3.520 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001257485270 1128504353 /nfs/dbraw/zinc/50/43/53/1128504353.db2.gz JYEOKNWDASHPRK-YESZJQIVSA-N 2 1 266.473 3.619 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001257485270 1128504355 /nfs/dbraw/zinc/50/43/55/1128504355.db2.gz JYEOKNWDASHPRK-YESZJQIVSA-N 2 1 266.473 3.619 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001257485270 1128504356 /nfs/dbraw/zinc/50/43/56/1128504356.db2.gz JYEOKNWDASHPRK-YESZJQIVSA-N 2 1 266.473 3.619 20 0 CHADMP CC[NH+]1CCC([N@H+](C)CCC2CCCCCC2)CC1 ZINC000565859823 1128533758 /nfs/dbraw/zinc/53/37/58/1128533758.db2.gz IGOOURZQDHNFCF-UHFFFAOYSA-N 2 1 266.473 3.763 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)CCC2CCCCCC2)CC1 ZINC000565859823 1128533761 /nfs/dbraw/zinc/53/37/61/1128533761.db2.gz IGOOURZQDHNFCF-UHFFFAOYSA-N 2 1 266.473 3.763 20 0 CHADMP CC(C)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638287648 1128534233 /nfs/dbraw/zinc/53/42/33/1128534233.db2.gz VRKHAKXOQPNPGJ-FUHWJXTLSA-N 2 1 272.436 3.600 20 0 CHADMP CC(C)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638287648 1128534236 /nfs/dbraw/zinc/53/42/36/1128534236.db2.gz VRKHAKXOQPNPGJ-FUHWJXTLSA-N 2 1 272.436 3.600 20 0 CHADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H](CC(C)C)c2ccccc2)C1 ZINC000566225307 1128540427 /nfs/dbraw/zinc/54/04/27/1128540427.db2.gz CRBCSCJIBWZVMK-HKUYNNGSSA-N 2 1 288.479 3.748 20 0 CHADMP CC(C)C[C@H](C[N@H+]1CC[C@H]([NH3+])C[C@H]1C)c1ccccc1 ZINC000566411165 1128544393 /nfs/dbraw/zinc/54/43/93/1128544393.db2.gz AEYPVCAAVFOLMI-NXHRZFHOSA-N 2 1 274.452 3.628 20 0 CHADMP [NH3+]C[C@H]([NH2+][C@@H]1CCCc2c3ccccc3[nH]c21)C1CCCC1 ZINC000567724430 1128570588 /nfs/dbraw/zinc/57/05/88/1128570588.db2.gz PMUZOHNEDLGBTK-MSOLQXFVSA-N 2 1 297.446 3.652 20 0 CHADMP CC1(C)C[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851352 1128572885 /nfs/dbraw/zinc/57/28/85/1128572885.db2.gz BERLAOQIZHYIMH-ZWKOTPCHSA-N 2 1 298.474 3.819 20 0 CHADMP CC1(C)C[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851352 1128572887 /nfs/dbraw/zinc/57/28/87/1128572887.db2.gz BERLAOQIZHYIMH-ZWKOTPCHSA-N 2 1 298.474 3.819 20 0 CHADMP CC1(C)C[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851350 1128573303 /nfs/dbraw/zinc/57/33/03/1128573303.db2.gz BERLAOQIZHYIMH-QZTJIDSGSA-N 2 1 298.474 3.819 20 0 CHADMP CC1(C)C[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851350 1128573306 /nfs/dbraw/zinc/57/33/06/1128573306.db2.gz BERLAOQIZHYIMH-QZTJIDSGSA-N 2 1 298.474 3.819 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000130222066 1128573355 /nfs/dbraw/zinc/57/33/55/1128573355.db2.gz NDKLBGVATGHATI-UHOFOFEASA-N 2 1 278.827 3.617 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C(C)(C)C ZINC000568047239 1128577395 /nfs/dbraw/zinc/57/73/95/1128577395.db2.gz IOWGJEJTFSRZDF-PVAVHDDUSA-N 2 1 274.452 3.846 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C(C)(C)C ZINC000568047239 1128577397 /nfs/dbraw/zinc/57/73/97/1128577397.db2.gz IOWGJEJTFSRZDF-PVAVHDDUSA-N 2 1 274.452 3.846 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC2CC(c3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000568542900 1128586921 /nfs/dbraw/zinc/58/69/21/1128586921.db2.gz KVLTUITWCAKMIG-LAWMGNCPSA-N 2 1 298.474 3.643 20 0 CHADMP CC[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC1(C)CC1 ZINC000568824767 1128592625 /nfs/dbraw/zinc/59/26/25/1128592625.db2.gz VBGJCUBTDBTKON-SFHVURJKSA-N 2 1 286.463 3.631 20 0 CHADMP CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000570072247 1128615704 /nfs/dbraw/zinc/61/57/04/1128615704.db2.gz UZZOVYRZVXPEJY-QAPCUYQASA-N 2 1 274.452 3.805 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CC(C(C)C)C(C)C)C[C@H]1C ZINC000556602129 1128608663 /nfs/dbraw/zinc/60/86/63/1128608663.db2.gz QNBJAANMNJHTCK-HZPDHXFCSA-N 2 1 268.489 3.719 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC(C(C)C)C(C)C)C[C@H]1C ZINC000556602129 1128608665 /nfs/dbraw/zinc/60/86/65/1128608665.db2.gz QNBJAANMNJHTCK-HZPDHXFCSA-N 2 1 268.489 3.719 20 0 CHADMP CCC(C)(C)c1ccc(C[N@@H+](C)C2(C)CC[NH2+]CC2)cc1 ZINC001236227068 1128626311 /nfs/dbraw/zinc/62/63/11/1128626311.db2.gz ZDOWXOVEPVYOLO-UHFFFAOYSA-N 2 1 288.479 3.948 20 0 CHADMP CC[C@@H]([NH3+])C[N@@H+]1CCCC[C@H]1c1ccc(C)c(C)c1 ZINC001236246063 1128633989 /nfs/dbraw/zinc/63/39/89/1128633989.db2.gz XLPNQVKHLKSLJU-SJORKVTESA-N 2 1 260.425 3.568 20 0 CHADMP CC[C@@H]([NH3+])C[N@H+]1CCCC[C@H]1c1ccc(C)c(C)c1 ZINC001236246063 1128633991 /nfs/dbraw/zinc/63/39/91/1128633991.db2.gz XLPNQVKHLKSLJU-SJORKVTESA-N 2 1 260.425 3.568 20 0 CHADMP CC1(C)CC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000570867475 1128634579 /nfs/dbraw/zinc/63/45/79/1128634579.db2.gz KBNLRJNCBXCSKY-GGPHIMKMSA-N 2 1 298.474 3.960 20 0 CHADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000572920714 1128649614 /nfs/dbraw/zinc/64/96/14/1128649614.db2.gz ICHLKFODZYYVHX-MKQDKFQKSA-N 2 1 296.405 3.531 20 0 CHADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000572920714 1128649615 /nfs/dbraw/zinc/64/96/15/1128649615.db2.gz ICHLKFODZYYVHX-MKQDKFQKSA-N 2 1 296.405 3.531 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@H](C)c3ccccc32)C1 ZINC000574114189 1128661377 /nfs/dbraw/zinc/66/13/77/1128661377.db2.gz CGNWEACSLFOWJP-DAYGRLMNSA-N 2 1 272.436 3.556 20 0 CHADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccccc1Oc1ccccc1 ZINC000574924317 1128664774 /nfs/dbraw/zinc/66/47/74/1128664774.db2.gz CKGURYRNMXEWDU-NVXWUHKLSA-N 2 1 296.414 3.791 20 0 CHADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccccc1Oc1ccccc1 ZINC000574924317 1128664776 /nfs/dbraw/zinc/66/47/76/1128664776.db2.gz CKGURYRNMXEWDU-NVXWUHKLSA-N 2 1 296.414 3.791 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000578650184 1128725268 /nfs/dbraw/zinc/72/52/68/1128725268.db2.gz GSZOFDCRRDRDQM-IAGOWNOFSA-N 2 1 278.484 3.811 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CC(c2ccccc2)C1 ZINC000578795654 1128729618 /nfs/dbraw/zinc/72/96/18/1128729618.db2.gz RBQGZUCMBIBDCG-ZLPCBKJTSA-N 2 1 274.452 3.643 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CC(c2ccccc2)C1 ZINC000578795654 1128729621 /nfs/dbraw/zinc/72/96/21/1128729621.db2.gz RBQGZUCMBIBDCG-ZLPCBKJTSA-N 2 1 274.452 3.643 20 0 CHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H](CC2CC2)c2ccccc2)C1 ZINC000578858252 1128731239 /nfs/dbraw/zinc/73/12/39/1128731239.db2.gz OJBJXESTPAFUOI-PKOBYXMFSA-N 2 1 286.463 3.849 20 0 CHADMP CC[N@@H+](CCC[NH2+]C1CCCC1)C1CCCCC1 ZINC000053498861 1128732918 /nfs/dbraw/zinc/73/29/18/1128732918.db2.gz ASHPPCVOCLVOJR-UHFFFAOYSA-N 2 1 252.446 3.563 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](C)CSc2ccc(C)cc2)CC1 ZINC000274618405 1117769293 /nfs/dbraw/zinc/76/92/93/1117769293.db2.gz LUJAFRPXILSASB-OAHLLOKOSA-N 2 1 292.492 3.550 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](C)CSc2ccc(C)cc2)CC1 ZINC000274618404 1117769544 /nfs/dbraw/zinc/76/95/44/1117769544.db2.gz LUJAFRPXILSASB-HNNXBMFYSA-N 2 1 292.492 3.550 20 0 CHADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(C)cc1 ZINC000034996310 1117790371 /nfs/dbraw/zinc/79/03/71/1117790371.db2.gz JBGUROKNTQIYCS-KRWDZBQOSA-N 2 1 260.425 3.520 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](C1CC1)C1CCCCC1 ZINC000683141421 1117795121 /nfs/dbraw/zinc/79/51/21/1117795121.db2.gz NVCTUQBTHQITHB-UHFFFAOYSA-N 2 1 252.446 3.515 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccoc2)cc1 ZINC000175717650 1117814528 /nfs/dbraw/zinc/81/45/28/1117814528.db2.gz LCYQJMITVRWRIB-CYBMUJFWSA-N 2 1 281.359 3.625 20 0 CHADMP CC(C)CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623336024 1117832771 /nfs/dbraw/zinc/83/27/71/1117832771.db2.gz RFNOMEBLETUVOT-GJZGRUSLSA-N 2 1 254.462 3.664 20 0 CHADMP C[C@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)c1cc2ccccc2o1 ZINC000623341083 1117835472 /nfs/dbraw/zinc/83/54/72/1117835472.db2.gz MQIYWNYALMZQND-ZFWWWQNUSA-N 2 1 286.419 3.956 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1cc2ccccc2o1 ZINC000623341083 1117835476 /nfs/dbraw/zinc/83/54/76/1117835476.db2.gz MQIYWNYALMZQND-ZFWWWQNUSA-N 2 1 286.419 3.956 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1cc2ccccc2o1 ZINC000623341083 1117835478 /nfs/dbraw/zinc/83/54/78/1117835478.db2.gz MQIYWNYALMZQND-ZFWWWQNUSA-N 2 1 286.419 3.956 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(OC)cc1 ZINC000623339769 1117838259 /nfs/dbraw/zinc/83/82/59/1117838259.db2.gz JNDPLNFGKHLEAB-RDJZCZTQSA-N 2 1 290.451 3.609 20 0 CHADMP CC(C)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623374589 1117845396 /nfs/dbraw/zinc/84/53/96/1117845396.db2.gz GBMLZDZTJQFHEV-KRWDZBQOSA-N 2 1 274.452 3.772 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623384663 1117847093 /nfs/dbraw/zinc/84/70/93/1117847093.db2.gz CLARFDOECNKVLE-CVEARBPZSA-N 2 1 260.425 3.600 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cc3c(s2)CCCC3)CC1(C)C ZINC000623381240 1117847675 /nfs/dbraw/zinc/84/76/75/1117847675.db2.gz IWOATIYCVCOZLD-CQSZACIVSA-N 2 1 292.492 3.589 20 0 CHADMP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623398679 1117850141 /nfs/dbraw/zinc/85/01/41/1117850141.db2.gz MNZXIYSSRXXADE-MSOLQXFVSA-N 2 1 288.479 3.860 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623400734 1117852039 /nfs/dbraw/zinc/85/20/39/1117852039.db2.gz DAAFHAIQILIPBX-OWCLPIDISA-N 2 1 266.473 3.664 20 0 CHADMP Cc1ccc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623426271 1117853533 /nfs/dbraw/zinc/85/35/33/1117853533.db2.gz HOHYYWSPEXSMRX-NVXWUHKLSA-N 2 1 274.452 3.561 20 0 CHADMP Cc1cccnc1[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623420403 1117853786 /nfs/dbraw/zinc/85/37/86/1117853786.db2.gz AUPAFFIBEWYFCC-HOTGVXAUSA-N 2 1 289.467 3.550 20 0 CHADMP Cc1cccnc1[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000623420403 1117853792 /nfs/dbraw/zinc/85/37/92/1117853792.db2.gz AUPAFFIBEWYFCC-HOTGVXAUSA-N 2 1 289.467 3.550 20 0 CHADMP Cc1cccc([C@@H](C)C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623429007 1117855867 /nfs/dbraw/zinc/85/58/67/1117855867.db2.gz IRPRGNUMQOGMCT-DOTOQJQBSA-N 2 1 274.452 3.561 20 0 CHADMP CC(C)CC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623442350 1117857307 /nfs/dbraw/zinc/85/73/07/1117857307.db2.gz LHANTUGNARWVLB-AWEZNQCLSA-N 2 1 254.462 3.521 20 0 CHADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2csc3ccccc23)C1 ZINC000623656455 1117883250 /nfs/dbraw/zinc/88/32/50/1117883250.db2.gz UMMQCSREGMTGDQ-AWEZNQCLSA-N 2 1 288.460 3.723 20 0 CHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccoc1 ZINC000178111755 1117886791 /nfs/dbraw/zinc/88/67/91/1117886791.db2.gz KJCQGVYRYRLZBK-XHSDSOJGSA-N 2 1 278.440 3.688 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000178541948 1117892823 /nfs/dbraw/zinc/89/28/23/1117892823.db2.gz CRCGNBSPKVNYJY-OAHLLOKOSA-N 2 1 286.419 3.597 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000178541948 1117892830 /nfs/dbraw/zinc/89/28/30/1117892830.db2.gz CRCGNBSPKVNYJY-OAHLLOKOSA-N 2 1 286.419 3.597 20 0 CHADMP c1oc2ccccc2c1CNC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000623728153 1117904141 /nfs/dbraw/zinc/90/41/41/1117904141.db2.gz ADHWVFIUAFYECS-INIZCTEOSA-N 2 1 284.403 3.539 20 0 CHADMP c1oc2ccccc2c1CNC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000623728153 1117904142 /nfs/dbraw/zinc/90/41/42/1117904142.db2.gz ADHWVFIUAFYECS-INIZCTEOSA-N 2 1 284.403 3.539 20 0 CHADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CCC4CCCC4)C[C@H]3C2)cc1 ZINC001208694291 1117914541 /nfs/dbraw/zinc/91/45/41/1117914541.db2.gz NJLSUKBUWOTWSF-BGYRXZFFSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CCC4CCCC4)C[C@H]3C2)cc1 ZINC001208694291 1117914546 /nfs/dbraw/zinc/91/45/46/1117914546.db2.gz NJLSUKBUWOTWSF-BGYRXZFFSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](CCC4CCCC4)C[C@H]3C2)cc1 ZINC001208694291 1117914549 /nfs/dbraw/zinc/91/45/49/1117914549.db2.gz NJLSUKBUWOTWSF-BGYRXZFFSA-N 2 1 298.474 3.631 20 0 CHADMP CC/C=C\CC[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001208729313 1117920734 /nfs/dbraw/zinc/92/07/34/1117920734.db2.gz SMNOEDAGSKDWDJ-LIMHQNJXSA-N 2 1 264.457 3.683 20 0 CHADMP CCSc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000339687678 1117955437 /nfs/dbraw/zinc/95/54/37/1117955437.db2.gz PXODYHBAARZNNQ-ZDUSSCGKSA-N 2 1 289.448 3.654 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(C)s1 ZINC000624119889 1117983566 /nfs/dbraw/zinc/98/35/66/1117983566.db2.gz LTVISMFLZXQBLL-HIFRSBDPSA-N 2 1 280.481 3.747 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc2c(c1)CCC2 ZINC000624120022 1117984112 /nfs/dbraw/zinc/98/41/12/1117984112.db2.gz PRCUPTUWRHBRQT-HZPDHXFCSA-N 2 1 286.463 3.558 20 0 CHADMP CC(C)CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C1CC1 ZINC000624123106 1117984684 /nfs/dbraw/zinc/98/46/84/1117984684.db2.gz FYUIYBBVKRODKJ-RDJZCZTQSA-N 2 1 266.473 3.523 20 0 CHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000624121800 1117985378 /nfs/dbraw/zinc/98/53/78/1117985378.db2.gz DFAXQORYFKILPH-CXAGYDPISA-N 2 1 292.854 3.649 20 0 CHADMP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1C ZINC000624120925 1117986333 /nfs/dbraw/zinc/98/63/33/1117986333.db2.gz KIGGADGZBYGEKK-SJORKVTESA-N 2 1 274.452 3.686 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000315166425 1117988417 /nfs/dbraw/zinc/98/84/17/1117988417.db2.gz XONSDTRZFABJLK-ZWKOTPCHSA-N 2 1 283.419 3.508 20 0 CHADMP C/C=C/C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000624198287 1118003297 /nfs/dbraw/zinc/00/32/97/1118003297.db2.gz KGNUWINGAXVPBL-ONEGZZNKSA-N 2 1 272.436 3.595 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC(C)C)c2ccccc2)C1 ZINC000037643950 1118033614 /nfs/dbraw/zinc/03/36/14/1118033614.db2.gz FZZYYOODDSSKCO-WMZOPIPTSA-N 2 1 274.452 3.705 20 0 CHADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001209431472 1118053209 /nfs/dbraw/zinc/05/32/09/1118053209.db2.gz OQBKHMNBDZLFJD-HOJAQTOUSA-N 2 1 298.474 3.631 20 0 CHADMP C[C@@H]1C[C@H]1C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001209431472 1118053213 /nfs/dbraw/zinc/05/32/13/1118053213.db2.gz OQBKHMNBDZLFJD-HOJAQTOUSA-N 2 1 298.474 3.631 20 0 CHADMP C[C@@H]1C[C@H]1C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001209431472 1118053218 /nfs/dbraw/zinc/05/32/18/1118053218.db2.gz OQBKHMNBDZLFJD-HOJAQTOUSA-N 2 1 298.474 3.631 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccoc1 ZINC000370662127 1118063914 /nfs/dbraw/zinc/06/39/14/1118063914.db2.gz IYMUFVISIMOLLW-TXPKVOOTSA-N 2 1 298.430 3.841 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccoc1 ZINC000370662127 1118063920 /nfs/dbraw/zinc/06/39/20/1118063920.db2.gz IYMUFVISIMOLLW-TXPKVOOTSA-N 2 1 298.430 3.841 20 0 CHADMP c1ccc(C[N@H+](CCC[NH+]2CCCCC2)C2CCC2)cc1 ZINC001209453409 1118064473 /nfs/dbraw/zinc/06/44/73/1118064473.db2.gz HZGVZAIRDVLKCG-UHFFFAOYSA-N 2 1 286.463 3.917 20 0 CHADMP C[C@@H]1CCC[N@@H+](Cc2cccc(C(F)F)c2)[C@@H]1CC[NH3+] ZINC000404426091 1118064798 /nfs/dbraw/zinc/06/47/98/1118064798.db2.gz LUZWPVGFSLZYDG-IUODEOHRSA-N 2 1 282.378 3.574 20 0 CHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C(F)F)cc2)[C@H]1CC[NH3+] ZINC000404427248 1118064922 /nfs/dbraw/zinc/06/49/22/1118064922.db2.gz MHCASCPKTIOYDF-WFASDCNBSA-N 2 1 282.378 3.574 20 0 CHADMP Cc1cc([C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c(C)o1 ZINC000562592686 1118066434 /nfs/dbraw/zinc/06/64/34/1118066434.db2.gz RLXVJPLCYLOVIF-CJNGLKHVSA-N 2 1 280.456 3.913 20 0 CHADMP Cc1cc([C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c(C)o1 ZINC000562592687 1118066687 /nfs/dbraw/zinc/06/66/87/1118066687.db2.gz RLXVJPLCYLOVIF-CZUORRHYSA-N 2 1 280.456 3.913 20 0 CHADMP C[C@@H](C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)c1cccc(Cl)c1 ZINC000683358848 1118070525 /nfs/dbraw/zinc/07/05/25/1118070525.db2.gz GHYJFALHFNAHJU-WMLDXEAASA-N 2 1 294.870 3.860 20 0 CHADMP C[C@@H](C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)c1cccc(Cl)c1 ZINC000683358848 1118070530 /nfs/dbraw/zinc/07/05/30/1118070530.db2.gz GHYJFALHFNAHJU-WMLDXEAASA-N 2 1 294.870 3.860 20 0 CHADMP CCC[C@H](C)C[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000579647119 1128753878 /nfs/dbraw/zinc/75/38/78/1128753878.db2.gz GOGDWLVDCNUKHK-HNNXBMFYSA-N 2 1 265.445 3.594 20 0 CHADMP CCC[C@H](C)C[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000579647119 1128753882 /nfs/dbraw/zinc/75/38/82/1128753882.db2.gz GOGDWLVDCNUKHK-HNNXBMFYSA-N 2 1 265.445 3.594 20 0 CHADMP CC(C)C[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398145556 1118088778 /nfs/dbraw/zinc/08/87/78/1118088778.db2.gz XLXWDAIRXWEVPS-ZIFCJYIRSA-N 2 1 288.479 3.921 20 0 CHADMP CC(C)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398145556 1118088781 /nfs/dbraw/zinc/08/87/81/1118088781.db2.gz XLXWDAIRXWEVPS-ZIFCJYIRSA-N 2 1 288.479 3.921 20 0 CHADMP CCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398214066 1118099951 /nfs/dbraw/zinc/09/99/51/1118099951.db2.gz UHOGVFFGNNCWHR-FUHWJXTLSA-N 2 1 274.452 3.677 20 0 CHADMP CCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398214066 1118099957 /nfs/dbraw/zinc/09/99/57/1118099957.db2.gz UHOGVFFGNNCWHR-FUHWJXTLSA-N 2 1 274.452 3.677 20 0 CHADMP C[C@H]1[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C[C@@H]1C ZINC000398221361 1118101093 /nfs/dbraw/zinc/10/10/93/1118101093.db2.gz SQDZZEFWWXADGV-AFQPOQBFSA-N 2 1 286.463 3.531 20 0 CHADMP C[C@H]1[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@@H]1C ZINC000398221361 1118101095 /nfs/dbraw/zinc/10/10/95/1118101095.db2.gz SQDZZEFWWXADGV-AFQPOQBFSA-N 2 1 286.463 3.531 20 0 CHADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000579897825 1118101111 /nfs/dbraw/zinc/10/11/11/1118101111.db2.gz LVZMISUGNBJXKC-SZMVWBNQSA-N 2 1 274.452 3.641 20 0 CHADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000579897825 1118101112 /nfs/dbraw/zinc/10/11/12/1118101112.db2.gz LVZMISUGNBJXKC-SZMVWBNQSA-N 2 1 274.452 3.641 20 0 CHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccnc(Cl)c1 ZINC000764635017 1118103922 /nfs/dbraw/zinc/10/39/22/1118103922.db2.gz HUAYSZSNRLNLFH-ZIAGYGMSSA-N 2 1 295.858 3.650 20 0 CHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccnc(Cl)c1 ZINC000764635017 1118103924 /nfs/dbraw/zinc/10/39/24/1118103924.db2.gz HUAYSZSNRLNLFH-ZIAGYGMSSA-N 2 1 295.858 3.650 20 0 CHADMP CC1CCC([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000236687712 1118111643 /nfs/dbraw/zinc/11/16/43/1118111643.db2.gz IOFCZAGVIZVPNY-CGZBRXJRSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247178033 1118130250 /nfs/dbraw/zinc/13/02/50/1118130250.db2.gz YWIWBGHRGGAXPR-KBPBESRZSA-N 2 1 280.843 3.675 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247178033 1118130253 /nfs/dbraw/zinc/13/02/53/1118130253.db2.gz YWIWBGHRGGAXPR-KBPBESRZSA-N 2 1 280.843 3.675 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000247178033 1118130255 /nfs/dbraw/zinc/13/02/55/1118130255.db2.gz YWIWBGHRGGAXPR-KBPBESRZSA-N 2 1 280.843 3.675 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247178033 1118130256 /nfs/dbraw/zinc/13/02/56/1118130256.db2.gz YWIWBGHRGGAXPR-KBPBESRZSA-N 2 1 280.843 3.675 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CC[C@@H](C)C2)cc1F ZINC001648903636 1118273631 /nfs/dbraw/zinc/27/36/31/1118273631.db2.gz UUUYSJJEQIAYOA-DOMZBBRYSA-N 2 1 287.382 3.598 20 0 CHADMP CC(C)[C@H]1CCCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC001653043743 1118280437 /nfs/dbraw/zinc/28/04/37/1118280437.db2.gz CQVKYUFQHHDKIV-QGZVFWFLSA-N 2 1 266.473 3.763 20 0 CHADMP CCN(CCC[N@@H+](CC)Cc1ccoc1)Cc1ccoc1 ZINC000157776566 1118282998 /nfs/dbraw/zinc/28/29/98/1118282998.db2.gz JVZZVJJWXFQQQY-UHFFFAOYSA-N 2 1 290.407 3.607 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3CC[NH2+][C@H](C)CC3)cc2)cc1 ZINC001210495732 1118298771 /nfs/dbraw/zinc/29/87/71/1118298771.db2.gz BECVCJRCCPVIQQ-QGZVFWFLSA-N 2 1 294.442 3.846 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CC[NH2+][C@H](C)CC3)cc2)cc1 ZINC001210495732 1118298773 /nfs/dbraw/zinc/29/87/73/1118298773.db2.gz BECVCJRCCPVIQQ-QGZVFWFLSA-N 2 1 294.442 3.846 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001649095583 1118347626 /nfs/dbraw/zinc/34/76/26/1118347626.db2.gz FXFUZDYDKHUMGL-KBAYOESNSA-N 2 1 278.484 3.809 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000069754066 1118370354 /nfs/dbraw/zinc/37/03/54/1118370354.db2.gz DOEJSKMLYCJVCP-UHFFFAOYSA-N 2 1 285.435 3.669 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc2ccccc21 ZINC000069753970 1118370926 /nfs/dbraw/zinc/37/09/26/1118370926.db2.gz JEDUQRUILDOGCW-UHFFFAOYSA-N 2 1 279.387 3.525 20 0 CHADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H](c2ccccc2)C(C)(C)C)CC1 ZINC000086817906 1118397409 /nfs/dbraw/zinc/39/74/09/1118397409.db2.gz QRKIJYKOSXVBMW-SJORKVTESA-N 2 1 274.452 3.848 20 0 CHADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000765783198 1118405413 /nfs/dbraw/zinc/40/54/13/1118405413.db2.gz KOTJZJFGDBDXTD-LPHOPBHVSA-N 2 1 286.463 3.692 20 0 CHADMP C[C@H](C1CC1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000782190897 1118476793 /nfs/dbraw/zinc/47/67/93/1118476793.db2.gz WCWZCDXEKHOOGG-JKSUJKDBSA-N 2 1 278.484 3.761 20 0 CHADMP CC(C)(C)SCCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001167429203 1118489115 /nfs/dbraw/zinc/48/91/15/1118489115.db2.gz HNHGKBTYKPZOKN-MRXNPFEDSA-N 2 1 298.540 3.716 20 0 CHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCCCC1 ZINC000398229211 1118503205 /nfs/dbraw/zinc/50/32/05/1118503205.db2.gz WDAONCOYSXIIBC-QFBILLFUSA-N 2 1 286.463 3.819 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCCCC1 ZINC000398229211 1118503208 /nfs/dbraw/zinc/50/32/08/1118503208.db2.gz WDAONCOYSXIIBC-QFBILLFUSA-N 2 1 286.463 3.819 20 0 CHADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001167443165 1118534558 /nfs/dbraw/zinc/53/45/58/1118534558.db2.gz NYKOFSXKCKXIFA-KURKYZTESA-N 2 1 278.484 3.763 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2cccc3ccccc32)CC1 ZINC000091870524 1118582309 /nfs/dbraw/zinc/58/23/09/1118582309.db2.gz SNLSHIZEQPTDDG-UHFFFAOYSA-N 2 1 282.431 3.802 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1cccc2cccnc21 ZINC000349411449 1118585352 /nfs/dbraw/zinc/58/53/52/1118585352.db2.gz XEHXXUKFSOXNCP-UHFFFAOYSA-N 2 1 299.462 3.789 20 0 CHADMP CC(C)C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000341036121 1118591756 /nfs/dbraw/zinc/59/17/56/1118591756.db2.gz ITISMTWGLKPGES-QZTJIDSGSA-N 2 1 274.452 3.848 20 0 CHADMP C[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccccc1 ZINC000656789354 1118659017 /nfs/dbraw/zinc/65/90/17/1118659017.db2.gz WNVHMFVEPJUEIJ-NSISKUIASA-N 2 1 294.442 3.525 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(C)s1 ZINC000656786974 1118659119 /nfs/dbraw/zinc/65/91/19/1118659119.db2.gz YSTGNDVGFDBIPX-MRXNPFEDSA-N 2 1 292.492 3.577 20 0 CHADMP C[C@@H]1CCC[C@@](C[NH2+]C2CCC(F)(F)CC2)([NH+](C)C)C1 ZINC000647175125 1118681134 /nfs/dbraw/zinc/68/11/34/1118681134.db2.gz YYRRPAKOSSAHLE-UKRRQHHQSA-N 2 1 288.426 3.664 20 0 CHADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723699035 1118708475 /nfs/dbraw/zinc/70/84/75/1118708475.db2.gz LZEHRAGSGPEPAE-GJZGRUSLSA-N 2 1 268.404 3.572 20 0 CHADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1sc2ccccc2c1Cl ZINC000131633858 1118761554 /nfs/dbraw/zinc/76/15/54/1118761554.db2.gz ZPEPQFKXSXQAOA-GHMZBOCLSA-N 2 1 294.851 3.724 20 0 CHADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000430722601 1118764825 /nfs/dbraw/zinc/76/48/25/1118764825.db2.gz QRTDRHYQPMWSCY-MLHJIOFPSA-N 2 1 280.500 3.911 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H]3C3CCC3)CC2)cc1 ZINC000510723426 1118796560 /nfs/dbraw/zinc/79/65/60/1118796560.db2.gz QWQVJWHLEQONGF-VQTJNVASSA-N 2 1 298.474 3.819 20 0 CHADMP C[N@H+](CC[NH2+][C@@H]1CCC[C@@H]1CCCF)C1CCCCC1 ZINC000510731034 1118804566 /nfs/dbraw/zinc/80/45/66/1118804566.db2.gz FBIRFIZLKCIMCD-NVXWUHKLSA-N 2 1 284.463 3.759 20 0 CHADMP C[N@@H+](CC[NH2+][C@@H]1CCC[C@@H]1CCCF)C1CCCCC1 ZINC000510731034 1118804573 /nfs/dbraw/zinc/80/45/73/1118804573.db2.gz FBIRFIZLKCIMCD-NVXWUHKLSA-N 2 1 284.463 3.759 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000510751148 1118806131 /nfs/dbraw/zinc/80/61/31/1118806131.db2.gz LLSKLFPSAFNDPB-NXHRZFHOSA-N 2 1 278.484 3.523 20 0 CHADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CC[C@H]1C1CCC1)C2 ZINC000510736963 1118806643 /nfs/dbraw/zinc/80/66/43/1118806643.db2.gz QOSAPOVLURUGBB-VQTJNVASSA-N 2 1 298.474 3.603 20 0 CHADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CC[C@H]1C1CCC1)C2 ZINC000510736963 1118806647 /nfs/dbraw/zinc/80/66/47/1118806647.db2.gz QOSAPOVLURUGBB-VQTJNVASSA-N 2 1 298.474 3.603 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CC(C)(C)CC(C)(C)C2)C1 ZINC000129705038 1118882454 /nfs/dbraw/zinc/88/24/54/1118882454.db2.gz OIWNDRPFSXCLDB-HNNXBMFYSA-N 2 1 280.500 3.911 20 0 CHADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCCC(C)(C)C3)CC[C@@H]21 ZINC000535808492 1118890375 /nfs/dbraw/zinc/89/03/75/1118890375.db2.gz IJBDOWDOBHAMGN-ZACQAIPSSA-N 2 1 278.484 3.619 20 0 CHADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CCCC(C)(C)C3)CC[C@@H]21 ZINC000535808492 1118890380 /nfs/dbraw/zinc/89/03/80/1118890380.db2.gz IJBDOWDOBHAMGN-ZACQAIPSSA-N 2 1 278.484 3.619 20 0 CHADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCC(C)(C)C3)CC[C@@H]21 ZINC000535808492 1118890383 /nfs/dbraw/zinc/89/03/83/1118890383.db2.gz IJBDOWDOBHAMGN-ZACQAIPSSA-N 2 1 278.484 3.619 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCc2cccc(C)c2)C1 ZINC000181132799 1118904319 /nfs/dbraw/zinc/90/43/19/1118904319.db2.gz UTRRBYDZSCPTFV-LJQANCHMSA-N 2 1 288.479 3.591 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCc2cccc(C)c2)C1 ZINC000181132799 1118904321 /nfs/dbraw/zinc/90/43/21/1118904321.db2.gz UTRRBYDZSCPTFV-LJQANCHMSA-N 2 1 288.479 3.591 20 0 CHADMP CCc1cccc2cc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)oc21 ZINC000657307893 1118979573 /nfs/dbraw/zinc/97/95/73/1118979573.db2.gz UEKWCLCIUQXFMA-AWEZNQCLSA-N 2 1 298.430 3.569 20 0 CHADMP CCc1cccc2cc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)oc21 ZINC000657307893 1118979575 /nfs/dbraw/zinc/97/95/75/1118979575.db2.gz UEKWCLCIUQXFMA-AWEZNQCLSA-N 2 1 298.430 3.569 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001207282297 1119036147 /nfs/dbraw/zinc/03/61/47/1119036147.db2.gz GWDIZXDNRJJVJP-HNNXBMFYSA-N 2 1 294.870 3.717 20 0 CHADMP CC[C@@H](c1ccccc1)[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC001207282309 1119036299 /nfs/dbraw/zinc/03/62/99/1119036299.db2.gz HIMOXRHIZLOLEY-INIZCTEOSA-N 2 1 262.441 3.657 20 0 CHADMP C[C@H]1CC[C@@](C)(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1(C)C ZINC000657589313 1119198839 /nfs/dbraw/zinc/19/88/39/1119198839.db2.gz IJNAXYFYKXEPNJ-CUSZFKRNSA-N 2 1 278.484 3.665 20 0 CHADMP CC[C@@H](C)CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000657587050 1119200776 /nfs/dbraw/zinc/20/07/76/1119200776.db2.gz PNGACFJZOMGIIA-QGZVFWFLSA-N 2 1 288.479 3.719 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC000342858762 1119213621 /nfs/dbraw/zinc/21/36/21/1119213621.db2.gz CBOZENBGVSYOGG-INIZCTEOSA-N 2 1 285.435 3.891 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC000342858762 1119213622 /nfs/dbraw/zinc/21/36/22/1119213622.db2.gz CBOZENBGVSYOGG-INIZCTEOSA-N 2 1 285.435 3.891 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000221921692 1119215222 /nfs/dbraw/zinc/21/52/22/1119215222.db2.gz NRWBICNYBRMRGE-HNNXBMFYSA-N 2 1 296.455 3.683 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000221921692 1119215226 /nfs/dbraw/zinc/21/52/26/1119215226.db2.gz NRWBICNYBRMRGE-HNNXBMFYSA-N 2 1 296.455 3.683 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CCC(C)(C)F)CC[N@@H+]1Cc1ccccc1 ZINC000657644707 1119220015 /nfs/dbraw/zinc/22/00/15/1119220015.db2.gz BBPSXJLZVPNQMC-DOTOQJQBSA-N 2 1 292.442 3.767 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CCC(C)(C)F)CC[N@H+]1Cc1ccccc1 ZINC000657644707 1119220019 /nfs/dbraw/zinc/22/00/19/1119220019.db2.gz BBPSXJLZVPNQMC-DOTOQJQBSA-N 2 1 292.442 3.767 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@]2(C)CCCS2)c1 ZINC000628214259 1128830592 /nfs/dbraw/zinc/83/05/92/1128830592.db2.gz QGTWTNGQLMHGPB-KRWDZBQOSA-N 2 1 292.492 3.514 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]c3ccccc32)C1 ZINC000078562997 1119233914 /nfs/dbraw/zinc/23/39/14/1119233914.db2.gz BRXRIJYXHDYPAB-INIZCTEOSA-N 2 1 297.446 3.711 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000343191867 1119344977 /nfs/dbraw/zinc/34/49/77/1119344977.db2.gz IVYYZUMZJZXQLL-IRXDYDNUSA-N 2 1 299.462 3.686 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CC(c2ccccc2C)C1 ZINC000127070291 1119357988 /nfs/dbraw/zinc/35/79/88/1119357988.db2.gz PKXHVQVNOMNXBG-RWBZWWBESA-N 2 1 297.446 3.672 20 0 CHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]C3CCCC3)C3(CCC3)C2)cc1 ZINC000657771870 1119380308 /nfs/dbraw/zinc/38/03/08/1119380308.db2.gz OODXMWZEFUYXML-GOSISDBHSA-N 2 1 298.474 3.821 20 0 CHADMP CC[C@@H](Cc1ccccc1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000252895712 1119424284 /nfs/dbraw/zinc/42/42/84/1119424284.db2.gz ZJRXEIQSZDNZAH-MJGOQNOKSA-N 2 1 288.479 3.862 20 0 CHADMP Cc1ccc2ccnc(N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2c1 ZINC000583868979 1119426495 /nfs/dbraw/zinc/42/64/95/1119426495.db2.gz SSOAWISGTICLKM-SJPCQFCGSA-N 2 1 295.430 3.605 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)CC1(C)C ZINC000623352641 1119461672 /nfs/dbraw/zinc/46/16/72/1119461672.db2.gz IUHYHTXHSATQFX-WXRRBKDZSA-N 2 1 292.389 3.570 20 0 CHADMP CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccccc1F ZINC000168758640 1119475503 /nfs/dbraw/zinc/47/55/03/1119475503.db2.gz WXFAEAUQZLZYJF-YOEHRIQHSA-N 2 1 278.415 3.598 20 0 CHADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@H]2C2CCCCC2)cc1 ZINC000708472743 1119481930 /nfs/dbraw/zinc/48/19/30/1119481930.db2.gz GBAMINHRXIIPMG-SFHVURJKSA-N 2 1 272.436 3.690 20 0 CHADMP CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623385015 1119484992 /nfs/dbraw/zinc/48/49/92/1119484992.db2.gz YGCSGIDPMOHJLD-GJZGRUSLSA-N 2 1 290.451 3.609 20 0 CHADMP CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623385015 1119484993 /nfs/dbraw/zinc/48/49/93/1119484993.db2.gz YGCSGIDPMOHJLD-GJZGRUSLSA-N 2 1 290.451 3.609 20 0 CHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC000081633978 1119519951 /nfs/dbraw/zinc/51/99/51/1119519951.db2.gz ZMVLNLRFPCYLCN-HNNXBMFYSA-N 2 1 292.854 3.504 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](C)Cc2ccccc2)C1 ZINC000248546367 1128851814 /nfs/dbraw/zinc/85/18/14/1128851814.db2.gz DVDMLAHUYYUNHQ-MJGOQNOKSA-N 2 1 288.479 3.575 20 0 CHADMP CC(C)C1CCC(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000090576675 1119548112 /nfs/dbraw/zinc/54/81/12/1119548112.db2.gz PDGJRKSINBDOLA-ZGUYJTEBSA-N 2 1 278.484 3.665 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000657872310 1119583475 /nfs/dbraw/zinc/58/34/75/1119583475.db2.gz MUEXPLDWPBIPHE-WCXIOVBPSA-N 2 1 278.484 3.521 20 0 CHADMP Cc1cc2cc([C@@H](C)[NH2+]CCC[NH+](C)C)oc2cc1C ZINC000151916648 1119589931 /nfs/dbraw/zinc/58/99/31/1119589931.db2.gz SASUSKJZQZVCBJ-CQSZACIVSA-N 2 1 274.408 3.652 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](C)CCc2ccccc2)C1 ZINC001648920571 1119595249 /nfs/dbraw/zinc/59/52/49/1119595249.db2.gz CEUHVKKAUUULNS-PKOBYXMFSA-N 2 1 288.479 3.577 20 0 CHADMP Cc1ccc([C@H](C)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)o1 ZINC000647344370 1119597355 /nfs/dbraw/zinc/59/73/55/1119597355.db2.gz PFDRLWMLYWVWCZ-JQHSSLGASA-N 2 1 298.430 3.584 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)o1 ZINC000647344370 1119597359 /nfs/dbraw/zinc/59/73/59/1119597359.db2.gz PFDRLWMLYWVWCZ-JQHSSLGASA-N 2 1 298.430 3.584 20 0 CHADMP Cc1cc(C)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC000685443816 1119607915 /nfs/dbraw/zinc/60/79/15/1119607915.db2.gz PQFLINYMJAKQFB-DFNIBXOVSA-N 2 1 286.463 3.669 20 0 CHADMP Cc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1Cl ZINC000685470849 1119612638 /nfs/dbraw/zinc/61/26/38/1119612638.db2.gz VZZRFNUCDBSBAW-NVXWUHKLSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1Cl ZINC000685470849 1119612639 /nfs/dbraw/zinc/61/26/39/1119612639.db2.gz VZZRFNUCDBSBAW-NVXWUHKLSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1Cl ZINC000685470849 1119612640 /nfs/dbraw/zinc/61/26/40/1119612640.db2.gz VZZRFNUCDBSBAW-NVXWUHKLSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1Cl ZINC000685470849 1119612643 /nfs/dbraw/zinc/61/26/43/1119612643.db2.gz VZZRFNUCDBSBAW-NVXWUHKLSA-N 2 1 292.854 3.565 20 0 CHADMP C[C@H]([NH2+][C@H]1CCCSCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000657969784 1119655489 /nfs/dbraw/zinc/65/54/89/1119655489.db2.gz UQICCUYOYRVNKG-JYJNAYRXSA-N 2 1 296.524 3.515 20 0 CHADMP CC[N@@H+](Cc1ccc(-n2ccnc2)cc1)C1CCCC1 ZINC000101544881 1119656708 /nfs/dbraw/zinc/65/67/08/1119656708.db2.gz DCAVSXVVRXLXKT-UHFFFAOYSA-N 2 1 269.392 3.637 20 0 CHADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CC[C@@H]1CCCC[NH+]1C ZINC000472445066 1119804995 /nfs/dbraw/zinc/80/49/95/1119804995.db2.gz CYRILCAITBMOLK-NEWSRXKRSA-N 2 1 286.463 3.739 20 0 CHADMP C[C@@H]1[C@@H](c2ccccc2)CC[NH+]1CC[C@@H]1CCCC[N@@H+]1C ZINC000472445066 1119804998 /nfs/dbraw/zinc/80/49/98/1119804998.db2.gz CYRILCAITBMOLK-NEWSRXKRSA-N 2 1 286.463 3.739 20 0 CHADMP C[C@@H]1[C@@H](c2ccccc2)CC[NH+]1CC[C@@H]1CCCC[N@H+]1C ZINC000472445066 1119805004 /nfs/dbraw/zinc/80/50/04/1119805004.db2.gz CYRILCAITBMOLK-NEWSRXKRSA-N 2 1 286.463 3.739 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CC(C)(C)C1 ZINC000708787059 1119844934 /nfs/dbraw/zinc/84/49/34/1119844934.db2.gz FMYWRDVMSYNCKW-HRCADAONSA-N 2 1 266.473 3.523 20 0 CHADMP CC(C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272365833 1119855805 /nfs/dbraw/zinc/85/58/05/1119855805.db2.gz TWIAURVGVIHSFD-XYJFISCASA-N 2 1 274.452 3.531 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000414066038 1119878827 /nfs/dbraw/zinc/87/88/27/1119878827.db2.gz OZMPXNWEULHOIN-IIDMSEBBSA-N 2 1 274.452 3.661 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)[C@H]2C[C@H]2C)cc1 ZINC000414108256 1119901259 /nfs/dbraw/zinc/90/12/59/1119901259.db2.gz JYCGUMQNDVDXNK-NPSOMJIGSA-N 2 1 283.419 3.876 20 0 CHADMP C[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000173867874 1119916852 /nfs/dbraw/zinc/91/68/52/1119916852.db2.gz DVKPGHKEZDFGLP-QZTJIDSGSA-N 2 1 286.463 3.598 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000414172567 1119926636 /nfs/dbraw/zinc/92/66/36/1119926636.db2.gz FLYQXZDGXUTXOX-IRXDYDNUSA-N 2 1 274.452 3.686 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1csc(Cl)c1 ZINC000414183234 1119929526 /nfs/dbraw/zinc/92/95/26/1119929526.db2.gz NCQFHFPEOSRGPR-NWDGAFQWSA-N 2 1 286.872 3.784 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1csc(Cl)c1 ZINC000414183235 1119929682 /nfs/dbraw/zinc/92/96/82/1119929682.db2.gz NCQFHFPEOSRGPR-RYUDHWBXSA-N 2 1 286.872 3.784 20 0 CHADMP CCC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000414188378 1119931453 /nfs/dbraw/zinc/93/14/53/1119931453.db2.gz QPMCBDZFVDLARZ-WMZOPIPTSA-N 2 1 274.452 3.849 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc2ccccc2n1 ZINC000414189811 1119932669 /nfs/dbraw/zinc/93/26/69/1119932669.db2.gz RJSOUNXUIMXFTR-HZPDHXFCSA-N 2 1 297.446 3.617 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCC2 ZINC000414199577 1119935143 /nfs/dbraw/zinc/93/51/43/1119935143.db2.gz XNLJNJRAOGHBCX-CVEARBPZSA-N 2 1 286.463 3.558 20 0 CHADMP Cc1ccc(C)c([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000414203356 1119937878 /nfs/dbraw/zinc/93/78/78/1119937878.db2.gz ZXJGYYLGYUOLGO-IAGOWNOFSA-N 2 1 274.452 3.686 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000613491897 1119940982 /nfs/dbraw/zinc/94/09/82/1119940982.db2.gz CYWZYPACBUXOHD-UHFFFAOYSA-N 2 1 292.442 3.770 20 0 CHADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc12 ZINC000414210417 1119941137 /nfs/dbraw/zinc/94/11/37/1119941137.db2.gz MWTKPRBJADWUKM-RDJZCZTQSA-N 2 1 282.431 3.721 20 0 CHADMP CC(C)CC[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000036854564 1119944142 /nfs/dbraw/zinc/94/41/42/1119944142.db2.gz OJFUJKXEAOUBNN-JKSUJKDBSA-N 2 1 254.462 3.665 20 0 CHADMP F[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000414296413 1119970538 /nfs/dbraw/zinc/97/05/38/1119970538.db2.gz XUHXVZQYSPCXRI-QZTJIDSGSA-N 2 1 290.426 3.521 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCC[C@@H]1C(C)(C)C ZINC000414304069 1119973464 /nfs/dbraw/zinc/97/34/64/1119973464.db2.gz OMLLYCAAQDGODI-OWYFMNJBSA-N 2 1 266.473 3.520 20 0 CHADMP CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000187711227 1120032552 /nfs/dbraw/zinc/03/25/52/1120032552.db2.gz SNJYAUDQMBSQGL-ZFWWWQNUSA-N 2 1 266.454 3.521 20 0 CHADMP [NH3+]Cc1cccc(C[N@H+]2CC[C@H](C3CCCCC3)C2)c1 ZINC000708871596 1120040623 /nfs/dbraw/zinc/04/06/23/1120040623.db2.gz UTVKUTZEXCUPBY-SFHVURJKSA-N 2 1 272.436 3.548 20 0 CHADMP Cc1oc2ccccc2c1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623657236 1120065207 /nfs/dbraw/zinc/06/52/07/1120065207.db2.gz LWOLUEXMMMXCQY-HNNXBMFYSA-N 2 1 286.419 3.563 20 0 CHADMP C1CCC(C([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C2CCCC2)C1 ZINC000166638773 1120071595 /nfs/dbraw/zinc/07/15/95/1120071595.db2.gz GTGWXQJGSLSMHJ-ZWKOTPCHSA-N 2 1 290.495 3.952 20 0 CHADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000624121150 1120074518 /nfs/dbraw/zinc/07/45/18/1120074518.db2.gz PFJWVGCUEKBJEA-GUYCJALGSA-N 2 1 292.854 3.649 20 0 CHADMP Cc1ccc([C@@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)C2CC2)cc1 ZINC000624122151 1120102930 /nfs/dbraw/zinc/10/29/30/1120102930.db2.gz KWKJJEQSBZTPDF-VQIMIIECSA-N 2 1 286.463 3.768 20 0 CHADMP c1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000378871548 1120137296 /nfs/dbraw/zinc/13/72/96/1120137296.db2.gz OWUWEBILHFKAMV-MUGJNUQGSA-N 2 1 298.474 3.929 20 0 CHADMP Cc1ccccc1[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000472769286 1120168246 /nfs/dbraw/zinc/16/82/46/1120168246.db2.gz YELRCFIVJZWCPQ-IRXDYDNUSA-N 2 1 274.452 3.862 20 0 CHADMP C[C@H](C[NH2+]C(c1ccccc1)c1ccccc1)C[NH+](C)C ZINC000314324572 1120185387 /nfs/dbraw/zinc/18/53/87/1120185387.db2.gz NNAPMPMAMXLHAW-MRXNPFEDSA-N 2 1 282.431 3.563 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCC2(CC2)CC1 ZINC000362918492 1120191382 /nfs/dbraw/zinc/19/13/82/1120191382.db2.gz NRJOEIQLWGKUBT-OAHLLOKOSA-N 2 1 264.457 3.563 20 0 CHADMP CC(C)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000086943282 1120222678 /nfs/dbraw/zinc/22/26/78/1120222678.db2.gz CAOQWYQGABJRFO-HOTGVXAUSA-N 2 1 278.484 3.808 20 0 CHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cccc(F)c1 ZINC000216005382 1120242818 /nfs/dbraw/zinc/24/28/18/1120242818.db2.gz NNXBPODNPURKBV-LSDHHAIUSA-N 2 1 278.415 3.741 20 0 CHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccc(F)c1 ZINC000216005382 1120242825 /nfs/dbraw/zinc/24/28/25/1120242825.db2.gz NNXBPODNPURKBV-LSDHHAIUSA-N 2 1 278.415 3.741 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000338773240 1120293524 /nfs/dbraw/zinc/29/35/24/1120293524.db2.gz DEBVLUADTAWQIL-PBHICJAKSA-N 2 1 277.456 3.632 20 0 CHADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000499545769 1120311279 /nfs/dbraw/zinc/31/12/79/1120311279.db2.gz CYIYZYMMHNFTBY-XYJFISCASA-N 2 1 278.484 3.617 20 0 CHADMP CC(C)C[C@H](C)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000499545769 1120311282 /nfs/dbraw/zinc/31/12/82/1120311282.db2.gz CYIYZYMMHNFTBY-XYJFISCASA-N 2 1 278.484 3.617 20 0 CHADMP CC(C)C[C@H](C)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000499545769 1120311286 /nfs/dbraw/zinc/31/12/86/1120311286.db2.gz CYIYZYMMHNFTBY-XYJFISCASA-N 2 1 278.484 3.617 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(SC)c2)C[C@H]1C ZINC000659983002 1120323439 /nfs/dbraw/zinc/32/34/39/1120323439.db2.gz BIHFXNZNAFWQIZ-GDBMZVCRSA-N 2 1 292.492 3.713 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(SC)c2)C[C@H]1C ZINC000659983002 1120323442 /nfs/dbraw/zinc/32/34/42/1120323442.db2.gz BIHFXNZNAFWQIZ-GDBMZVCRSA-N 2 1 292.492 3.713 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(SC)c2)C[C@H]1C ZINC000659983002 1120323445 /nfs/dbraw/zinc/32/34/45/1120323445.db2.gz BIHFXNZNAFWQIZ-GDBMZVCRSA-N 2 1 292.492 3.713 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(SC)c2)C[C@H]1C ZINC000659983002 1120323448 /nfs/dbraw/zinc/32/34/48/1120323448.db2.gz BIHFXNZNAFWQIZ-GDBMZVCRSA-N 2 1 292.492 3.713 20 0 CHADMP C[NH+]1CCC[C@@H]2C[N@H+](CC[C@@H]3CCc4ccccc43)CC[C@@H]21 ZINC000660009768 1120339015 /nfs/dbraw/zinc/33/90/15/1120339015.db2.gz ACHBPBQAQHRWLQ-NSHGMRRFSA-N 2 1 298.474 3.523 20 0 CHADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC[C@@H]3CCc4ccccc43)CC[C@@H]21 ZINC000660009768 1120339020 /nfs/dbraw/zinc/33/90/20/1120339020.db2.gz ACHBPBQAQHRWLQ-NSHGMRRFSA-N 2 1 298.474 3.523 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC23CCCCC3)C1 ZINC000313042174 1120382045 /nfs/dbraw/zinc/38/20/45/1120382045.db2.gz QNCIMRXVMPZCBT-SJORKVTESA-N 2 1 278.484 3.809 20 0 CHADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000629522451 1128913865 /nfs/dbraw/zinc/91/38/65/1128913865.db2.gz AHFFKRGFTGTSHM-BXUZGUMPSA-N 2 1 292.810 3.564 20 0 CHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2(CF)CCC2)CC1 ZINC000584720659 1120420036 /nfs/dbraw/zinc/42/00/36/1120420036.db2.gz JHIBHJJPAGGZQG-ZBFHGGJFSA-N 2 1 282.447 3.511 20 0 CHADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H]1c1ccccc1 ZINC000364071033 1120423395 /nfs/dbraw/zinc/42/33/95/1120423395.db2.gz DMTJBAVXCCKSOG-FCGDIQPGSA-N 2 1 298.474 3.785 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CC23CC3)cc1 ZINC000417345561 1120433439 /nfs/dbraw/zinc/43/34/39/1120433439.db2.gz XSCPNANBPYEUEH-CZUORRHYSA-N 2 1 281.403 3.631 20 0 CHADMP C[C@@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@@H]1C[C@H]1c1cccs1 ZINC000417364373 1120437646 /nfs/dbraw/zinc/43/76/46/1120437646.db2.gz LVMSQAMFGMQJPD-QLFBSQMISA-N 2 1 292.492 3.704 20 0 CHADMP C[C@@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@@H]1C[C@H]1c1cccs1 ZINC000417364373 1120437648 /nfs/dbraw/zinc/43/76/48/1120437648.db2.gz LVMSQAMFGMQJPD-QLFBSQMISA-N 2 1 292.492 3.704 20 0 CHADMP Cc1cc(C)c(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1C ZINC000584866058 1120472486 /nfs/dbraw/zinc/47/24/86/1120472486.db2.gz NEMCKMKHGORESP-IEBWSBKVSA-N 2 1 286.463 3.528 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1C ZINC000584866058 1120472491 /nfs/dbraw/zinc/47/24/91/1120472491.db2.gz NEMCKMKHGORESP-IEBWSBKVSA-N 2 1 286.463 3.528 20 0 CHADMP Cc1cc(C)c(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1C ZINC000584866058 1120472493 /nfs/dbraw/zinc/47/24/93/1120472493.db2.gz NEMCKMKHGORESP-IEBWSBKVSA-N 2 1 286.463 3.528 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2CCCC[C@H]2C)CC1 ZINC000543398277 1120508357 /nfs/dbraw/zinc/50/83/57/1120508357.db2.gz RVNUBEJRHNSQNM-HZPDHXFCSA-N 2 1 266.473 3.619 20 0 CHADMP CC(C)[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H](C)c1ccccc1 ZINC000428875512 1120548273 /nfs/dbraw/zinc/54/82/73/1120548273.db2.gz UYWKTMGXIFFCBJ-AEFFLSMTSA-N 2 1 274.452 3.942 20 0 CHADMP CC(C)[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H](C)c1ccccc1 ZINC000428875512 1120548277 /nfs/dbraw/zinc/54/82/77/1120548277.db2.gz UYWKTMGXIFFCBJ-AEFFLSMTSA-N 2 1 274.452 3.942 20 0 CHADMP CC(C)[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H](C)c1ccccc1 ZINC000428875512 1120548281 /nfs/dbraw/zinc/54/82/81/1120548281.db2.gz UYWKTMGXIFFCBJ-AEFFLSMTSA-N 2 1 274.452 3.942 20 0 CHADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCc2c1cccc2Cl ZINC000499936997 1120553131 /nfs/dbraw/zinc/55/31/31/1120553131.db2.gz RJNSPDCOZLVJSB-KRWDZBQOSA-N 2 1 292.854 3.745 20 0 CHADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCc2ccc(Cl)cc21 ZINC000499951167 1120560810 /nfs/dbraw/zinc/56/08/10/1120560810.db2.gz ROUZTUKXEFVGAH-KRWDZBQOSA-N 2 1 292.854 3.745 20 0 CHADMP c1csc([C@@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)c1 ZINC000193458608 1120572046 /nfs/dbraw/zinc/57/20/46/1120572046.db2.gz LPVLEAFKERLHOU-HNNXBMFYSA-N 2 1 278.465 3.761 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000783262931 1120591291 /nfs/dbraw/zinc/59/12/91/1120591291.db2.gz FCTFAFHKSHUODU-RWQQGDIJSA-N 2 1 286.463 3.675 20 0 CHADMP C[N@H+]1CCC[C@@H](CNCc2oc3ccccc3c2Cl)C1 ZINC000631068316 1120597262 /nfs/dbraw/zinc/59/72/62/1120597262.db2.gz IHJSYQPLBPPWHZ-LBPRGKRZSA-N 2 1 292.810 3.518 20 0 CHADMP Cc1ccc2ccccc2c1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429026737 1120620699 /nfs/dbraw/zinc/62/06/99/1120620699.db2.gz ZZTPZNDWONNKQE-HXUWFJFHSA-N 2 1 294.442 3.676 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429026737 1120620701 /nfs/dbraw/zinc/62/07/01/1120620701.db2.gz ZZTPZNDWONNKQE-HXUWFJFHSA-N 2 1 294.442 3.676 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429026737 1120620702 /nfs/dbraw/zinc/62/07/02/1120620702.db2.gz ZZTPZNDWONNKQE-HXUWFJFHSA-N 2 1 294.442 3.676 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@]1(C)Cc1ccccc1 ZINC000467238345 1120671668 /nfs/dbraw/zinc/67/16/68/1120671668.db2.gz MFDNUJBASFDWCF-RTBURBONSA-N 2 1 286.463 3.568 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000467238345 1120671671 /nfs/dbraw/zinc/67/16/71/1120671671.db2.gz MFDNUJBASFDWCF-RTBURBONSA-N 2 1 286.463 3.568 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000467238345 1120671672 /nfs/dbraw/zinc/67/16/72/1120671672.db2.gz MFDNUJBASFDWCF-RTBURBONSA-N 2 1 286.463 3.568 20 0 CHADMP CC(C)CC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821134 1128932474 /nfs/dbraw/zinc/93/24/74/1128932474.db2.gz MKOOEZLRGDCRJV-UHFFFAOYSA-N 2 1 289.467 3.666 20 0 CHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1C=CCCC1 ZINC000092821486 1128932501 /nfs/dbraw/zinc/93/25/01/1128932501.db2.gz GSJHVNKOOSCIMG-SFHVURJKSA-N 2 1 299.462 3.729 20 0 CHADMP C[N@@H+](CCCC[NH2+]Cc1ccccc1C1CC1)C1CC1 ZINC000651599776 1120677754 /nfs/dbraw/zinc/67/77/54/1120677754.db2.gz WLLCRHDIZWVVNX-UHFFFAOYSA-N 2 1 272.436 3.528 20 0 CHADMP CSc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000282457988 1120686289 /nfs/dbraw/zinc/68/62/89/1120686289.db2.gz VKCPOSHDHLCLMZ-ZNMIVQPWSA-N 2 1 290.476 3.686 20 0 CHADMP CC(C)[NH+](CCC[NH2+][C@@H]1CCc2ccc(F)cc21)C(C)C ZINC000483869330 1120692135 /nfs/dbraw/zinc/69/21/35/1120692135.db2.gz XRZXFRMPYRVMOI-GOSISDBHSA-N 2 1 292.442 3.912 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661512500 1120772333 /nfs/dbraw/zinc/77/23/33/1120772333.db2.gz KKDBCLCZILKJSV-KRWDZBQOSA-N 2 1 287.382 3.558 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661512500 1120772337 /nfs/dbraw/zinc/77/23/37/1120772337.db2.gz KKDBCLCZILKJSV-KRWDZBQOSA-N 2 1 287.382 3.558 20 0 CHADMP CCC1(CC)CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000661672749 1120792882 /nfs/dbraw/zinc/79/28/82/1120792882.db2.gz PXDINZQAZSSVKT-UHFFFAOYSA-N 2 1 277.456 3.874 20 0 CHADMP CCC1(CC)CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000661672749 1120792884 /nfs/dbraw/zinc/79/28/84/1120792884.db2.gz PXDINZQAZSSVKT-UHFFFAOYSA-N 2 1 277.456 3.874 20 0 CHADMP CCCSC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000893487724 1120795155 /nfs/dbraw/zinc/79/51/55/1120795155.db2.gz LWGZRHBCSWEDQD-HRCADAONSA-N 2 1 298.540 3.761 20 0 CHADMP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1nccc2ccccc21 ZINC000652222677 1120801559 /nfs/dbraw/zinc/80/15/59/1120801559.db2.gz VEDXFXGOEFLPIT-MRXNPFEDSA-N 2 1 299.462 3.863 20 0 CHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1nccc2ccccc21 ZINC000652222677 1120801562 /nfs/dbraw/zinc/80/15/62/1120801562.db2.gz VEDXFXGOEFLPIT-MRXNPFEDSA-N 2 1 299.462 3.863 20 0 CHADMP c1csc(C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)c1 ZINC000093678125 1120841265 /nfs/dbraw/zinc/84/12/65/1120841265.db2.gz RSHWNQNXIIIANM-GOOCMWNKSA-N 2 1 290.476 3.633 20 0 CHADMP [NH3+][C@H]1CCC[C@H](Nc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000115337651 1120893702 /nfs/dbraw/zinc/89/37/02/1120893702.db2.gz NAWYTIYMCPBBRY-RYUDHWBXSA-N 2 1 275.783 3.570 20 0 CHADMP CC1CC([NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000467731291 1120895695 /nfs/dbraw/zinc/89/56/95/1120895695.db2.gz AZOXYUBSIBWDNQ-DPCKTDSQSA-N 2 1 286.463 3.675 20 0 CHADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC[C@H]1[NH3+] ZINC000662273711 1120916381 /nfs/dbraw/zinc/91/63/81/1120916381.db2.gz YUSKYOVZMAFJFS-PSBWJHGTSA-N 2 1 286.463 3.630 20 0 CHADMP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)C2)cc1 ZINC000662278001 1120918167 /nfs/dbraw/zinc/91/81/67/1120918167.db2.gz ULALMIHALLNQLS-MISYRCLQSA-N 2 1 298.474 3.646 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@]1(c2ccccc2)CC1(C)C ZINC000662344287 1120929485 /nfs/dbraw/zinc/92/94/85/1120929485.db2.gz XWUKACXFNXORPM-LJQANCHMSA-N 2 1 297.446 3.887 20 0 CHADMP C[C@@H]([NH2+]CC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390788724 1120981692 /nfs/dbraw/zinc/98/16/92/1120981692.db2.gz DFVMLRDPHANGPI-NVXWUHKLSA-N 2 1 274.452 3.533 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C1CCCC1 ZINC000663466626 1120982561 /nfs/dbraw/zinc/98/25/61/1120982561.db2.gz WCTQJMLGVSYBPD-SJLPKXTDSA-N 2 1 278.484 3.667 20 0 CHADMP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468549 1120984148 /nfs/dbraw/zinc/98/41/48/1120984148.db2.gz MBTZAOUFMLRMEV-PXNSSMCTSA-N 2 1 298.474 3.694 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)CC2 ZINC000663471397 1120984473 /nfs/dbraw/zinc/98/44/73/1120984473.db2.gz XQQBIYBQLRJLMK-PXNSSMCTSA-N 2 1 298.474 3.694 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2ccsc2C1 ZINC001167825180 1120999092 /nfs/dbraw/zinc/99/90/92/1120999092.db2.gz GURHDLHOBNDIPR-AWEZNQCLSA-N 2 1 280.481 3.617 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2ccc(F)cc2C1 ZINC001167837493 1121041444 /nfs/dbraw/zinc/04/14/44/1121041444.db2.gz LMTWKGSEVZMNDK-HNNXBMFYSA-N 2 1 292.442 3.694 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1ccc(F)cc1F ZINC001167840023 1121045655 /nfs/dbraw/zinc/04/56/55/1121045655.db2.gz DIHQGSSQOWQMDP-AWEZNQCLSA-N 2 1 298.421 3.907 20 0 CHADMP CC[C@@H]1CC[C@H](C)[NH+]1CCC[N@H+]1[C@H](CC)CC[C@@H]1C ZINC000557218120 1121046077 /nfs/dbraw/zinc/04/60/77/1121046077.db2.gz GCYIWJDWAQIGNB-MWDXBVQZSA-N 2 1 266.473 3.902 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](Cc1ccco1)C1CC1 ZINC001167840667 1121053127 /nfs/dbraw/zinc/05/31/27/1121053127.db2.gz HFDHENHJMKNVKY-HNNXBMFYSA-N 2 1 278.440 3.755 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)CCc1ccccc1F ZINC001167841978 1121061386 /nfs/dbraw/zinc/06/13/86/1121061386.db2.gz VJHJOJHOPOGMIS-INIZCTEOSA-N 2 1 294.458 3.811 20 0 CHADMP CCC[N@@H+](CC(C)C)[C@H](C)CCC[NH+](CC)CC ZINC001167841934 1121062835 /nfs/dbraw/zinc/06/28/35/1121062835.db2.gz UUMRJQPPEAVOLA-MRXNPFEDSA-N 2 1 256.478 3.865 20 0 CHADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCC(C(C)C)CC1 ZINC000054556670 1121079145 /nfs/dbraw/zinc/07/91/45/1121079145.db2.gz YCSCXHPRMFLURA-QQFBHYJXSA-N 2 1 254.462 3.521 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000037977309 1121095478 /nfs/dbraw/zinc/09/54/78/1121095478.db2.gz YNYPXWOLCOJKLK-QGZVFWFLSA-N 2 1 292.854 3.865 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000037977242 1121095993 /nfs/dbraw/zinc/09/59/93/1121095993.db2.gz PUBLCAVSFXVVHD-HNNXBMFYSA-N 2 1 282.431 3.975 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000344147164 1121103847 /nfs/dbraw/zinc/10/38/47/1121103847.db2.gz VZUALGILXLIZIR-KSSFIOAISA-N 2 1 290.426 3.525 20 0 CHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H]2CC=CCC2)C1 ZINC000512180725 1121145136 /nfs/dbraw/zinc/14/51/36/1121145136.db2.gz OWNWEJNOFNKPHL-CEXWTWQISA-N 2 1 290.495 3.929 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000512180725 1121145138 /nfs/dbraw/zinc/14/51/38/1121145138.db2.gz OWNWEJNOFNKPHL-CEXWTWQISA-N 2 1 290.495 3.929 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000512180725 1121145141 /nfs/dbraw/zinc/14/51/41/1121145141.db2.gz OWNWEJNOFNKPHL-CEXWTWQISA-N 2 1 290.495 3.929 20 0 CHADMP C[N@@H+]1CCC[C@@H](C[NH2+]CC2(C)CCC2)[C@@H]1c1cccs1 ZINC000434765638 1121169269 /nfs/dbraw/zinc/16/92/69/1121169269.db2.gz RDGLKEXAGAPKRF-GOEBONIOSA-N 2 1 292.492 3.911 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH2+]CC2(C)CCC2)[C@@H]1c1cccs1 ZINC000434765638 1121169270 /nfs/dbraw/zinc/16/92/70/1121169270.db2.gz RDGLKEXAGAPKRF-GOEBONIOSA-N 2 1 292.492 3.911 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+]CC2(C)CCC2)CC1 ZINC000434768433 1121170891 /nfs/dbraw/zinc/17/08/91/1121170891.db2.gz SNDLAPUTECVGPO-UHFFFAOYSA-N 2 1 286.463 3.739 20 0 CHADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1csc2ccccc12 ZINC000063192032 1121201255 /nfs/dbraw/zinc/20/12/55/1121201255.db2.gz QISBTXOJSAKWLX-DOMZBBRYSA-N 2 1 274.433 3.603 20 0 CHADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1csc2ccccc12 ZINC000063192032 1121201259 /nfs/dbraw/zinc/20/12/59/1121201259.db2.gz QISBTXOJSAKWLX-DOMZBBRYSA-N 2 1 274.433 3.603 20 0 CHADMP CC[C@@H](C)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512244243 1121222227 /nfs/dbraw/zinc/22/22/27/1121222227.db2.gz NEKOYJBOMGTRQJ-IEBWSBKVSA-N 2 1 286.463 3.631 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc2ccccc21 ZINC000124368633 1121294449 /nfs/dbraw/zinc/29/44/49/1121294449.db2.gz MWMNGBIIAZCORE-HZPDHXFCSA-N 2 1 294.442 3.975 20 0 CHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000675778303 1121354804 /nfs/dbraw/zinc/35/48/04/1121354804.db2.gz CIVDRYCIVNYYJS-GJYPPUQNSA-N 2 1 286.463 3.533 20 0 CHADMP Cc1occc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000675780399 1121357334 /nfs/dbraw/zinc/35/73/34/1121357334.db2.gz XWEVDGZBWSMBBH-KSSFIOAISA-N 2 1 290.451 3.721 20 0 CHADMP CCC[NH+]1CCC([NH2+]Cc2cc3cc(C)ccc3o2)CC1 ZINC000152037256 1121357839 /nfs/dbraw/zinc/35/78/39/1121357839.db2.gz SOOWYFFDRVJNLP-UHFFFAOYSA-N 2 1 286.419 3.705 20 0 CHADMP CC(C)(C)C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000236620382 1121361143 /nfs/dbraw/zinc/36/11/43/1121361143.db2.gz QBEIUVXLCFPPEM-CQSZACIVSA-N 2 1 280.481 3.596 20 0 CHADMP CC(C)(C)C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000236620382 1121361152 /nfs/dbraw/zinc/36/11/52/1121361152.db2.gz QBEIUVXLCFPPEM-CQSZACIVSA-N 2 1 280.481 3.596 20 0 CHADMP CC[C@H](Cc1cccs1)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000675816610 1121367194 /nfs/dbraw/zinc/36/71/94/1121367194.db2.gz ITRSAQYVIDPSHD-UKRRQHHQSA-N 2 1 291.464 3.500 20 0 CHADMP CC[C@@H](C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000432816117 1121378646 /nfs/dbraw/zinc/37/86/46/1121378646.db2.gz NDSJZXAKLCRLQQ-FUHWJXTLSA-N 2 1 274.452 3.596 20 0 CHADMP CC(C)C[N@H+](C/C(Cl)=C/Cl)CC1CC[NH+](C)CC1 ZINC001175600842 1121380959 /nfs/dbraw/zinc/38/09/59/1121380959.db2.gz CDLSSDYACUOHGS-ZSOIEALJSA-N 2 1 293.282 3.605 20 0 CHADMP CCCC[C@H](CCC)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675883403 1121381950 /nfs/dbraw/zinc/38/19/50/1121381950.db2.gz ZUFMVNLTXAJUGO-FUHWJXTLSA-N 2 1 296.499 3.578 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCC2CC2)C3)cc1 ZINC000245741331 1121417300 /nfs/dbraw/zinc/41/73/00/1121417300.db2.gz RQNQUXAHMFSRTC-LDLYASANSA-N 2 1 284.447 3.572 20 0 CHADMP CC(C)[NH+]1CCC([N@H+](C)C/C=C/c2cccc(F)c2)CC1 ZINC000893918790 1121439910 /nfs/dbraw/zinc/43/99/10/1121439910.db2.gz GFWOBDHCJMJMPS-FNORWQNLSA-N 2 1 290.426 3.644 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)C/C=C/c2cccc(F)c2)CC1 ZINC000893918790 1121439917 /nfs/dbraw/zinc/43/99/17/1121439917.db2.gz GFWOBDHCJMJMPS-FNORWQNLSA-N 2 1 290.426 3.644 20 0 CHADMP C[N@@H+](CCCCCC[NH3+])Cc1cccc(C(F)F)c1 ZINC000710828289 1121475831 /nfs/dbraw/zinc/47/58/31/1121475831.db2.gz IMNGPODNPADBGM-UHFFFAOYSA-N 2 1 270.367 3.575 20 0 CHADMP C[C@@H]1CCC[C@@H](CC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000512581245 1121482569 /nfs/dbraw/zinc/48/25/69/1121482569.db2.gz GPYAEPRGLHSJAH-WXCOAYGQSA-N 2 1 278.484 3.760 20 0 CHADMP C[C@@H]1CCC[C@@H](CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000512581245 1121482571 /nfs/dbraw/zinc/48/25/71/1121482571.db2.gz GPYAEPRGLHSJAH-WXCOAYGQSA-N 2 1 278.484 3.760 20 0 CHADMP C[C@@H]1CCC[C@@H](CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000512581245 1121482573 /nfs/dbraw/zinc/48/25/73/1121482573.db2.gz GPYAEPRGLHSJAH-WXCOAYGQSA-N 2 1 278.484 3.760 20 0 CHADMP C[C@H]1CCC[C@@H](CC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000512581242 1121483050 /nfs/dbraw/zinc/48/30/50/1121483050.db2.gz GPYAEPRGLHSJAH-SZNINPNASA-N 2 1 278.484 3.760 20 0 CHADMP C[C@H]1CCC[C@@H](CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000512581242 1121483053 /nfs/dbraw/zinc/48/30/53/1121483053.db2.gz GPYAEPRGLHSJAH-SZNINPNASA-N 2 1 278.484 3.760 20 0 CHADMP C[C@H]1CCC[C@@H](CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000512581242 1121483059 /nfs/dbraw/zinc/48/30/59/1121483059.db2.gz GPYAEPRGLHSJAH-SZNINPNASA-N 2 1 278.484 3.760 20 0 CHADMP c1c[nH+]c(Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)[nH]1 ZINC001176084187 1121533587 /nfs/dbraw/zinc/53/35/87/1121533587.db2.gz FYBJMZXSMIVIDJ-UHFFFAOYSA-N 2 1 290.370 3.669 20 0 CHADMP COC1(C[C@@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)CCC1 ZINC000429380906 1121557577 /nfs/dbraw/zinc/55/75/77/1121557577.db2.gz MOXNNAOGRBKDBN-MRXNPFEDSA-N 2 1 296.499 3.578 20 0 CHADMP c1csc([C@H]2CCC[N@@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923296898 1121558156 /nfs/dbraw/zinc/55/81/56/1121558156.db2.gz BJGXOHFINAAXKV-WTXIUTQJSA-N 2 1 290.476 3.806 20 0 CHADMP CC[C@H]([NH2+]CCCc1c[nH+]cn1C)c1cc(C)ccc1C ZINC000626020569 1121578028 /nfs/dbraw/zinc/57/80/28/1121578028.db2.gz SWTMDZLVUHZWDJ-SFHVURJKSA-N 2 1 285.435 3.710 20 0 CHADMP CCC1([NH+]2CCC2)CC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC001176235737 1121584529 /nfs/dbraw/zinc/58/45/29/1121584529.db2.gz YTXROUCYLGTURA-UHFFFAOYSA-N 2 1 286.463 3.754 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167925052 1121698495 /nfs/dbraw/zinc/69/84/95/1121698495.db2.gz XKXZWRGRYOTVJN-LGKHCZOZSA-N 2 1 298.474 3.533 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000164618654 1121700034 /nfs/dbraw/zinc/70/00/34/1121700034.db2.gz RYEBCHBJQXCFBY-AWEZNQCLSA-N 2 1 289.398 3.770 20 0 CHADMP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@H](SC)C1)[NH+](C)C ZINC001177209029 1121716969 /nfs/dbraw/zinc/71/69/69/1121716969.db2.gz FHQHOAJWGGYLSA-PMPSAXMXSA-N 2 1 286.529 3.617 20 0 CHADMP Cc1cc(C)c(/C=C/C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC001177226678 1121719556 /nfs/dbraw/zinc/71/95/56/1121719556.db2.gz VKEUIPLXUFVTPL-SHCNBLLESA-N 2 1 298.474 3.699 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001177261708 1121721467 /nfs/dbraw/zinc/72/14/67/1121721467.db2.gz ITINYCSDWKCGTK-TVFCKZIOSA-N 2 1 280.500 3.911 20 0 CHADMP C[C@H](C[NH2+]CC1CCCCCC1)[N@@H+]1CCCC[C@@H]1C ZINC001177278151 1121722910 /nfs/dbraw/zinc/72/29/10/1121722910.db2.gz SRMNTCBHFDLKFX-JKSUJKDBSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@H](C[NH2+]CC1CCCCCC1)[N@H+]1CCCC[C@@H]1C ZINC001177278151 1121722916 /nfs/dbraw/zinc/72/29/16/1121722916.db2.gz SRMNTCBHFDLKFX-JKSUJKDBSA-N 2 1 266.473 3.809 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC001204933571 1121734476 /nfs/dbraw/zinc/73/44/76/1121734476.db2.gz VYZFGIWNZUTTBS-ZDUSSCGKSA-N 2 1 274.433 3.523 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+]1CCCC[C@H]1C[NH3+] ZINC001204933571 1121734481 /nfs/dbraw/zinc/73/44/81/1121734481.db2.gz VYZFGIWNZUTTBS-ZDUSSCGKSA-N 2 1 274.433 3.523 20 0 CHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCC[C@H]2C)C1 ZINC001177835777 1121752760 /nfs/dbraw/zinc/75/27/60/1121752760.db2.gz WSIHXRROELKICH-OAGGEKHMSA-N 2 1 266.473 3.665 20 0 CHADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCC[C@H]2C)C1 ZINC001177835777 1121752770 /nfs/dbraw/zinc/75/27/70/1121752770.db2.gz WSIHXRROELKICH-OAGGEKHMSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC001177912277 1121756217 /nfs/dbraw/zinc/75/62/17/1121756217.db2.gz ORFGKZYGKOUTHF-MRXNPFEDSA-N 2 1 277.456 3.778 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001178839843 1121821775 /nfs/dbraw/zinc/82/17/75/1121821775.db2.gz IKNHLGNXJZEUPX-HNNXBMFYSA-N 2 1 268.489 3.913 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001178839843 1121821782 /nfs/dbraw/zinc/82/17/82/1121821782.db2.gz IKNHLGNXJZEUPX-HNNXBMFYSA-N 2 1 268.489 3.913 20 0 CHADMP CC(C)Cc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001179222751 1121860332 /nfs/dbraw/zinc/86/03/32/1121860332.db2.gz PRAWVKQNBGTPDD-SFHVURJKSA-N 2 1 288.479 3.848 20 0 CHADMP C([NH2+]C1CCCC1)[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000731453841 1121867913 /nfs/dbraw/zinc/86/79/13/1121867913.db2.gz QJLBBOUNKISJOO-QGZVFWFLSA-N 2 1 264.457 3.563 20 0 CHADMP Cn1cncc1CC[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000298234694 1121902274 /nfs/dbraw/zinc/90/22/74/1121902274.db2.gz BRHOGCCQTOJBAF-LJQANCHMSA-N 2 1 295.430 3.505 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)C/C=C\c2cccc(F)c2)C[C@H]1C ZINC001179898271 1121920078 /nfs/dbraw/zinc/92/00/78/1121920078.db2.gz KHVXFUGKRJRQQK-IKUNXGLASA-N 2 1 290.426 3.644 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C/C=C\c2cccc(F)c2)C[C@H]1C ZINC001179898271 1121920089 /nfs/dbraw/zinc/92/00/89/1121920089.db2.gz KHVXFUGKRJRQQK-IKUNXGLASA-N 2 1 290.426 3.644 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C/C=C\c2cccc(F)c2)C[C@H]1C ZINC001179898271 1121920097 /nfs/dbraw/zinc/92/00/97/1121920097.db2.gz KHVXFUGKRJRQQK-IKUNXGLASA-N 2 1 290.426 3.644 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C/C=C\c2cccc(F)c2)C[C@H]1C ZINC001179898271 1121920104 /nfs/dbraw/zinc/92/01/04/1121920104.db2.gz KHVXFUGKRJRQQK-IKUNXGLASA-N 2 1 290.426 3.644 20 0 CHADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC001180513745 1121992006 /nfs/dbraw/zinc/99/20/06/1121992006.db2.gz KTPLTGSAHDUIIU-GOSISDBHSA-N 2 1 290.426 3.695 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2Oc2ccccc2)CC[C@H]1[NH3+] ZINC000420293678 1121993990 /nfs/dbraw/zinc/99/39/90/1121993990.db2.gz ROXGDTVKYWIGON-CRAIPNDOSA-N 2 1 296.414 3.648 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2Oc2ccccc2)CC[C@H]1[NH3+] ZINC000420293678 1121993996 /nfs/dbraw/zinc/99/39/96/1121993996.db2.gz ROXGDTVKYWIGON-CRAIPNDOSA-N 2 1 296.414 3.648 20 0 CHADMP CCC[N@H+](C[C@@H](C)[NH3+])[C@H](C)c1cc2ccccc2o1 ZINC000420295784 1121995661 /nfs/dbraw/zinc/99/56/61/1121995661.db2.gz ASNVLDYBTLLFRE-CHWSQXEVSA-N 2 1 260.381 3.553 20 0 CHADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(Cl)cc1 ZINC000420298421 1121997060 /nfs/dbraw/zinc/99/70/60/1121997060.db2.gz FGCICDYGKSIZJE-CQSZACIVSA-N 2 1 280.843 3.552 20 0 CHADMP Cc1ccc(C)c([C@@H](C)[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)c1 ZINC000420301583 1121998146 /nfs/dbraw/zinc/99/81/46/1121998146.db2.gz LMPWYONJZKJSAA-SJORKVTESA-N 2 1 274.452 3.686 20 0 CHADMP Cc1ccccc1[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420320582 1121999612 /nfs/dbraw/zinc/99/96/12/1121999612.db2.gz QRUWXCBBZLGNJV-AEFFLSMTSA-N 2 1 272.436 3.522 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420321533 1122000015 /nfs/dbraw/zinc/00/00/15/1122000015.db2.gz CPNDTAFRLHZNQK-ILXRZTDVSA-N 2 1 292.854 3.723 20 0 CHADMP c1ccc2c(c1)CC[C@H]2[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000420317761 1122000177 /nfs/dbraw/zinc/00/01/77/1122000177.db2.gz NWLNZBHGFYYRNS-DNVCBOLYSA-N 2 1 284.447 3.528 20 0 CHADMP c1ccc2cc(C[N@H+](CC[C@H]3CC[NH2+]C3)C3CC3)ccc2c1 ZINC000420328317 1122002268 /nfs/dbraw/zinc/00/22/68/1122002268.db2.gz ZDSOFONVPHYNJR-MRXNPFEDSA-N 2 1 294.442 3.804 20 0 CHADMP Clc1ccccc1C[N@@H+](CC[C@H]1CC[NH2+]C1)CC1CC1 ZINC000420378935 1122003868 /nfs/dbraw/zinc/00/38/68/1122003868.db2.gz UTTSMCLWPLNSPN-CQSZACIVSA-N 2 1 292.854 3.552 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000420990639 1122057800 /nfs/dbraw/zinc/05/78/00/1122057800.db2.gz GABBWDPQPFWTTL-HNNXBMFYSA-N 2 1 293.361 3.568 20 0 CHADMP C[N@H+]1CCCC2(CC[NH+](Cc3csc(Cl)c3)CC2)C1 ZINC001279116682 1122060753 /nfs/dbraw/zinc/06/07/53/1122060753.db2.gz RJVSWDAHYZEVQX-UHFFFAOYSA-N 2 1 298.883 3.709 20 0 CHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C3CC3)c2)C1 ZINC000421319766 1122093315 /nfs/dbraw/zinc/09/33/15/1122093315.db2.gz OAPLJABWBWJUSZ-KRWDZBQOSA-N 2 1 286.463 3.728 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C3CC3)c2)C1 ZINC000421319766 1122093323 /nfs/dbraw/zinc/09/33/23/1122093323.db2.gz OAPLJABWBWJUSZ-KRWDZBQOSA-N 2 1 286.463 3.728 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(C3CC3)c2)C1 ZINC000421319766 1122093330 /nfs/dbraw/zinc/09/33/30/1122093330.db2.gz OAPLJABWBWJUSZ-KRWDZBQOSA-N 2 1 286.463 3.728 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000421319766 1122093335 /nfs/dbraw/zinc/09/33/35/1122093335.db2.gz OAPLJABWBWJUSZ-KRWDZBQOSA-N 2 1 286.463 3.728 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccc(C3CC3)c2)CC1 ZINC000421334706 1122099308 /nfs/dbraw/zinc/09/93/08/1122099308.db2.gz ZUYJAZBWTZPDGK-UHFFFAOYSA-N 2 1 286.463 3.869 20 0 CHADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H](C)c1ccc(F)cc1 ZINC000502689735 1122133518 /nfs/dbraw/zinc/13/35/18/1122133518.db2.gz NEZRCGGUMGNPGA-PBHICJAKSA-N 2 1 278.415 3.693 20 0 CHADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H](C)c1ccc(F)cc1 ZINC000502689735 1122133523 /nfs/dbraw/zinc/13/35/23/1122133523.db2.gz NEZRCGGUMGNPGA-PBHICJAKSA-N 2 1 278.415 3.693 20 0 CHADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H](C)c1ccc(F)cc1 ZINC000502689735 1122133526 /nfs/dbraw/zinc/13/35/26/1122133526.db2.gz NEZRCGGUMGNPGA-PBHICJAKSA-N 2 1 278.415 3.693 20 0 CHADMP CC[C@@H](C)[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000502685413 1122136325 /nfs/dbraw/zinc/13/63/25/1122136325.db2.gz UMPHQMHWIMZRAV-AEFFLSMTSA-N 2 1 274.452 3.771 20 0 CHADMP CC[C@@H](C)[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000502685413 1122136328 /nfs/dbraw/zinc/13/63/28/1122136328.db2.gz UMPHQMHWIMZRAV-AEFFLSMTSA-N 2 1 274.452 3.771 20 0 CHADMP CC[C@@H](C)[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000502685413 1122136331 /nfs/dbraw/zinc/13/63/31/1122136331.db2.gz UMPHQMHWIMZRAV-AEFFLSMTSA-N 2 1 274.452 3.771 20 0 CHADMP CC(C)[C@H](c1ccccc1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000502853971 1122152686 /nfs/dbraw/zinc/15/26/86/1122152686.db2.gz DMYMEJGNIJXCGX-QZTJIDSGSA-N 2 1 274.452 3.800 20 0 CHADMP CC(C)[C@H](c1ccccc1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000502853971 1122152689 /nfs/dbraw/zinc/15/26/89/1122152689.db2.gz DMYMEJGNIJXCGX-QZTJIDSGSA-N 2 1 274.452 3.800 20 0 CHADMP Cc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)ccc1Cl ZINC001206556441 1122204416 /nfs/dbraw/zinc/20/44/16/1122204416.db2.gz RXCNUYBDAUKXBF-MRXNPFEDSA-N 2 1 280.843 3.599 20 0 CHADMP C([NH2+][C@H]1CC[C@@H]1C1CCC1)[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001183379219 1122222726 /nfs/dbraw/zinc/22/27/26/1122222726.db2.gz KGHWPCBFONGZET-QRVBRYPASA-N 2 1 290.495 3.952 20 0 CHADMP C([NH2+][C@H]1CC[C@@H]1C1CCC1)[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001183379219 1122222729 /nfs/dbraw/zinc/22/27/29/1122222729.db2.gz KGHWPCBFONGZET-QRVBRYPASA-N 2 1 290.495 3.952 20 0 CHADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(F)c3ccccc23)CC1 ZINC001205273252 1122226631 /nfs/dbraw/zinc/22/66/31/1122226631.db2.gz IVLGMHOVPYYBDG-GOSISDBHSA-N 2 1 286.394 3.682 20 0 CHADMP CC[N@H+](Cc1ccc(Cl)s1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414684628 1122267295 /nfs/dbraw/zinc/26/72/95/1122267295.db2.gz WLNNHFGSRMIBAA-RYUDHWBXSA-N 2 1 286.872 3.612 20 0 CHADMP CC(C)c1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1Cl ZINC001205317206 1122300849 /nfs/dbraw/zinc/30/08/49/1122300849.db2.gz NKWDPGYQQPFLGJ-DZGCQCFKSA-N 2 1 294.870 3.880 20 0 CHADMP CC(C)c1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1Cl ZINC001205317206 1122300853 /nfs/dbraw/zinc/30/08/53/1122300853.db2.gz NKWDPGYQQPFLGJ-DZGCQCFKSA-N 2 1 294.870 3.880 20 0 CHADMP CCC[C@@H](C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000430118186 1122407587 /nfs/dbraw/zinc/40/75/87/1122407587.db2.gz GGAOMSQERCTBPJ-OALUTQOASA-N 2 1 286.463 3.598 20 0 CHADMP CCC[C@@H](C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000430118186 1122407591 /nfs/dbraw/zinc/40/75/91/1122407591.db2.gz GGAOMSQERCTBPJ-OALUTQOASA-N 2 1 286.463 3.598 20 0 CHADMP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCCc2c[nH+]cn2C)c1 ZINC000514736673 1122445283 /nfs/dbraw/zinc/44/52/83/1122445283.db2.gz LKMRWHPJIVOWTH-MRXNPFEDSA-N 2 1 285.435 3.663 20 0 CHADMP Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCCc2c[nH+]cn2C)c1 ZINC000514736673 1122445286 /nfs/dbraw/zinc/44/52/86/1122445286.db2.gz LKMRWHPJIVOWTH-MRXNPFEDSA-N 2 1 285.435 3.663 20 0 CHADMP CC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCCCC1 ZINC001167958468 1122446151 /nfs/dbraw/zinc/44/61/51/1122446151.db2.gz FJKIDJOHDWHHOT-ALOPSCKCSA-N 2 1 276.468 3.704 20 0 CHADMP c1ccc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167959462 1122474690 /nfs/dbraw/zinc/47/46/90/1122474690.db2.gz PYGSCARREAULHA-IHWFROFDSA-N 2 1 298.474 3.614 20 0 CHADMP C[C@@H](F)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515382957 1122496454 /nfs/dbraw/zinc/49/64/54/1122496454.db2.gz HZAYDUMLDZRNQS-NVXWUHKLSA-N 2 1 290.426 3.521 20 0 CHADMP C[C@@H](F)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515382957 1122496455 /nfs/dbraw/zinc/49/64/55/1122496455.db2.gz HZAYDUMLDZRNQS-NVXWUHKLSA-N 2 1 290.426 3.521 20 0 CHADMP C[N@H+](CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)C1CCCC1 ZINC000436236690 1122527883 /nfs/dbraw/zinc/52/78/83/1122527883.db2.gz BAJIAZQPSJVVEX-QZTJIDSGSA-N 2 1 286.463 3.787 20 0 CHADMP C[N@@H+](CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)C1CCCC1 ZINC000436236690 1122527885 /nfs/dbraw/zinc/52/78/85/1122527885.db2.gz BAJIAZQPSJVVEX-QZTJIDSGSA-N 2 1 286.463 3.787 20 0 CHADMP C[C@@H](CC1CC1)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000436293423 1122534071 /nfs/dbraw/zinc/53/40/71/1122534071.db2.gz VCZKHYQRZUMDGD-YOEHRIQHSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC001191119777 1122574249 /nfs/dbraw/zinc/57/42/49/1122574249.db2.gz AXKDDXSLBYNUGC-KURKYZTESA-N 2 1 278.484 3.621 20 0 CHADMP C[N@H+](Cc1cc(F)cc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289224468 1122624896 /nfs/dbraw/zinc/62/48/96/1122624896.db2.gz CQIHRWLUODHOOH-XYPWUTKMSA-N 2 1 296.817 3.536 20 0 CHADMP C[N@@H+](Cc1cc(F)cc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289224468 1122624902 /nfs/dbraw/zinc/62/49/02/1122624902.db2.gz CQIHRWLUODHOOH-XYPWUTKMSA-N 2 1 296.817 3.536 20 0 CHADMP C[NH+](Cc1cc(F)cc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289224468 1122624905 /nfs/dbraw/zinc/62/49/05/1122624905.db2.gz CQIHRWLUODHOOH-XYPWUTKMSA-N 2 1 296.817 3.536 20 0 CHADMP C[NH+](Cc1cc(F)cc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289224468 1122624908 /nfs/dbraw/zinc/62/49/08/1122624908.db2.gz CQIHRWLUODHOOH-XYPWUTKMSA-N 2 1 296.817 3.536 20 0 CHADMP CC(C)([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccc1 ZINC001167962018 1122631537 /nfs/dbraw/zinc/63/15/37/1122631537.db2.gz SBACZLPHDHDUNP-YQQQUEKLSA-N 2 1 298.474 3.917 20 0 CHADMP CC(C)C[N@@H+](CCC[NH+]1CCCCC1)CC(C)(C)C ZINC001192225076 1122635548 /nfs/dbraw/zinc/63/55/48/1122635548.db2.gz YOWDBWCZNUJWTO-UHFFFAOYSA-N 2 1 268.489 3.867 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000437585875 1122644395 /nfs/dbraw/zinc/64/43/95/1122644395.db2.gz BXTWKVKMKHTMEM-OAHLLOKOSA-N 2 1 292.442 3.735 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](C)c2ccc(F)cc2)CC1 ZINC000437585874 1122644744 /nfs/dbraw/zinc/64/47/44/1122644744.db2.gz BXTWKVKMKHTMEM-HNNXBMFYSA-N 2 1 292.442 3.735 20 0 CHADMP Cc1ccc([C@@H]([NH2+]C[C@H](C)C[NH+](C)C)C2CCCC2)o1 ZINC000425914626 1122660029 /nfs/dbraw/zinc/66/00/29/1122660029.db2.gz BYXLTMKDJAWZTJ-GUYCJALGSA-N 2 1 278.440 3.607 20 0 CHADMP C[C@@H](C[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1)C[NH+](C)C ZINC000425943757 1122672579 /nfs/dbraw/zinc/67/25/79/1122672579.db2.gz SPUGFVZHBZUXHS-RYUDHWBXSA-N 2 1 294.826 3.935 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2cc3ccccc3s2)CC[C@@H]1C[NH3+] ZINC001205618719 1122674371 /nfs/dbraw/zinc/67/43/71/1122674371.db2.gz YKMQGNXAEQXJTD-DZGCQCFKSA-N 2 1 288.460 3.708 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2cc3ccccc3s2)CC[C@H]1C[NH3+] ZINC001205618722 1122674508 /nfs/dbraw/zinc/67/45/08/1122674508.db2.gz YKMQGNXAEQXJTD-HIFRSBDPSA-N 2 1 288.460 3.708 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC[N@@H+]1C ZINC000438185457 1122685387 /nfs/dbraw/zinc/68/53/87/1122685387.db2.gz MGXDQDSBRSNZOI-NXWXRZEISA-N 2 1 286.463 3.569 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC[N@H+]1C ZINC000438185457 1122685389 /nfs/dbraw/zinc/68/53/89/1122685389.db2.gz MGXDQDSBRSNZOI-NXWXRZEISA-N 2 1 286.463 3.569 20 0 CHADMP CC[C@H]1CC[NH+](CCCCC[N@@H+]2CC[C@H](CC)C2)C1 ZINC000438493115 1122704852 /nfs/dbraw/zinc/70/48/52/1122704852.db2.gz NUGGDFYQHVJNSS-IRXDYDNUSA-N 2 1 266.473 3.621 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccsc2C)c1 ZINC000293663346 1122717048 /nfs/dbraw/zinc/71/70/48/1122717048.db2.gz UEIFUJCJFQNJGS-UHFFFAOYSA-N 2 1 288.460 3.798 20 0 CHADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C1CC[NH+](C)CC1 ZINC000438833323 1122730435 /nfs/dbraw/zinc/73/04/35/1122730435.db2.gz XBAXALSYWUBMME-SFHVURJKSA-N 2 1 297.446 3.538 20 0 CHADMP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000426317978 1122761699 /nfs/dbraw/zinc/76/16/99/1122761699.db2.gz PDFDVAOHQJCFRO-DLBZAZTESA-N 2 1 288.479 3.653 20 0 CHADMP C/C(=C\c1ccccc1)C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000518746310 1122787098 /nfs/dbraw/zinc/78/70/98/1122787098.db2.gz QRQYLQYNVUTWBN-QMEWPPBRSA-N 2 1 298.474 3.754 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CCCC1 ZINC001167967082 1122845486 /nfs/dbraw/zinc/84/54/86/1122845486.db2.gz AVKAIDZKWONDKI-DXJOGWAWSA-N 2 1 276.468 3.560 20 0 CHADMP CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccn1 ZINC001167968637 1122850747 /nfs/dbraw/zinc/85/07/47/1122850747.db2.gz URHVMUJLMABSND-FBVQUNGASA-N 2 1 299.462 3.528 20 0 CHADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccccn1 ZINC001167968637 1122850751 /nfs/dbraw/zinc/85/07/51/1122850751.db2.gz URHVMUJLMABSND-FBVQUNGASA-N 2 1 299.462 3.528 20 0 CHADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccn1 ZINC001167968637 1122850755 /nfs/dbraw/zinc/85/07/55/1122850755.db2.gz URHVMUJLMABSND-FBVQUNGASA-N 2 1 299.462 3.528 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cccc2ccccc21 ZINC000267204461 1129087787 /nfs/dbraw/zinc/08/77/87/1129087787.db2.gz GGBVXXGPTMEUMZ-CQSZACIVSA-N 2 1 279.387 3.696 20 0 CHADMP c1cc(-c2ccccc2)sc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427131927 1122944727 /nfs/dbraw/zinc/94/47/27/1122944727.db2.gz XBBCXZGQTAHGKK-DOTOQJQBSA-N 2 1 298.455 3.599 20 0 CHADMP c1cc(-c2ccccc2)sc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427131927 1122944729 /nfs/dbraw/zinc/94/47/29/1122944729.db2.gz XBBCXZGQTAHGKK-DOTOQJQBSA-N 2 1 298.455 3.599 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000507472259 1122957629 /nfs/dbraw/zinc/95/76/29/1122957629.db2.gz QPQYPWYMXOHQJB-VGWMRTNUSA-N 2 1 254.462 3.520 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000507472259 1122957631 /nfs/dbraw/zinc/95/76/31/1122957631.db2.gz QPQYPWYMXOHQJB-VGWMRTNUSA-N 2 1 254.462 3.520 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)C[C@@H](C)CC(C)C ZINC000507517620 1122960240 /nfs/dbraw/zinc/96/02/40/1122960240.db2.gz YQXNNHOJDRCIAP-XHSDSOJGSA-N 2 1 279.472 3.878 20 0 CHADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)[C@@H]1c1ccccc1 ZINC001197658236 1122963940 /nfs/dbraw/zinc/96/39/40/1122963940.db2.gz FAZRKSPXGRZRPN-NXHRZFHOSA-N 2 1 272.436 3.554 20 0 CHADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)[C@@H]1c1ccccc1 ZINC001197658236 1122963943 /nfs/dbraw/zinc/96/39/43/1122963943.db2.gz FAZRKSPXGRZRPN-NXHRZFHOSA-N 2 1 272.436 3.554 20 0 CHADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)[C@@H]1c1ccccc1 ZINC001197658236 1122963946 /nfs/dbraw/zinc/96/39/46/1122963946.db2.gz FAZRKSPXGRZRPN-NXHRZFHOSA-N 2 1 272.436 3.554 20 0 CHADMP Cc1cccc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)c1 ZINC001203891770 1122977935 /nfs/dbraw/zinc/97/79/35/1122977935.db2.gz ZRSARAGLUDFKQX-UHFFFAOYSA-N 2 1 298.474 3.835 20 0 CHADMP Cc1cccc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)c1 ZINC001203891770 1122977938 /nfs/dbraw/zinc/97/79/38/1122977938.db2.gz ZRSARAGLUDFKQX-UHFFFAOYSA-N 2 1 298.474 3.835 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+]CC2CCC(C(C)(C)C)CC2)C1 ZINC000129846130 1123003375 /nfs/dbraw/zinc/00/33/75/1123003375.db2.gz YCCDZBPQGOESMA-CGZBRXJRSA-N 2 1 280.500 3.770 20 0 CHADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCCC34CC4)CC2)cc1 ZINC000519719394 1123018220 /nfs/dbraw/zinc/01/82/20/1123018220.db2.gz WWEDEIFLPMDJQI-IBGZPJMESA-N 2 1 298.474 3.616 20 0 CHADMP CC(C)(C)C1CCC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000037408423 1123032003 /nfs/dbraw/zinc/03/20/03/1123032003.db2.gz TWJXJVPBVWADTP-QQFBHYJXSA-N 2 1 278.484 3.665 20 0 CHADMP C(C[NH+]1CCCC1)[C@H]1CCCC[N@H+]1CC1CCCCC1 ZINC001201397532 1123091902 /nfs/dbraw/zinc/09/19/02/1123091902.db2.gz JGYLINNXFYWNTI-GOSISDBHSA-N 2 1 278.484 3.907 20 0 CHADMP C[C@@H]1CCCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167991555 1123093319 /nfs/dbraw/zinc/09/33/19/1123093319.db2.gz CPDOHYQZWRVESK-NAZJXLNTSA-N 2 1 276.468 3.656 20 0 CHADMP C[C@@H]1CCCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167991555 1123093323 /nfs/dbraw/zinc/09/33/23/1123093323.db2.gz CPDOHYQZWRVESK-NAZJXLNTSA-N 2 1 276.468 3.656 20 0 CHADMP C[C@@H]1CCCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167991555 1123093326 /nfs/dbraw/zinc/09/33/26/1123093326.db2.gz CPDOHYQZWRVESK-NAZJXLNTSA-N 2 1 276.468 3.656 20 0 CHADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1C[C@@H]3CCC[C@@H](C3)C1)C2 ZINC001167994940 1123103123 /nfs/dbraw/zinc/10/31/23/1123103123.db2.gz QSCHWWOQKBGYCG-MKAJOQBOSA-N 2 1 288.479 3.514 20 0 CHADMP CC(C)=CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000188455661 1123106795 /nfs/dbraw/zinc/10/67/95/1123106795.db2.gz GAMTZDKQQDQSDI-YQQQUEKLSA-N 2 1 284.447 3.738 20 0 CHADMP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978795 1123109629 /nfs/dbraw/zinc/10/96/29/1123109629.db2.gz YGCKONZNBRMLQL-PVAVHDDUSA-N 2 1 290.426 3.598 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001201478638 1123114672 /nfs/dbraw/zinc/11/46/72/1123114672.db2.gz VNUJJSNIBCNZCK-LJQANCHMSA-N 2 1 286.463 3.631 20 0 CHADMP CC(C)C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001201478638 1123114673 /nfs/dbraw/zinc/11/46/73/1123114673.db2.gz VNUJJSNIBCNZCK-LJQANCHMSA-N 2 1 286.463 3.631 20 0 CHADMP CC(C)C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001201478638 1123114674 /nfs/dbraw/zinc/11/46/74/1123114674.db2.gz VNUJJSNIBCNZCK-LJQANCHMSA-N 2 1 286.463 3.631 20 0 CHADMP CCC(CC)C[N@@H+]1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC001201523267 1123121690 /nfs/dbraw/zinc/12/16/90/1123121690.db2.gz GZIBHJUOPCPYAM-IYBDPMFKSA-N 2 1 292.492 3.548 20 0 CHADMP CCC(CC)C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001201523267 1123121693 /nfs/dbraw/zinc/12/16/93/1123121693.db2.gz GZIBHJUOPCPYAM-IYBDPMFKSA-N 2 1 292.492 3.548 20 0 CHADMP CCC(CC)C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001201523267 1123121695 /nfs/dbraw/zinc/12/16/95/1123121695.db2.gz GZIBHJUOPCPYAM-IYBDPMFKSA-N 2 1 292.492 3.548 20 0 CHADMP CCC(CC)C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001201523267 1123121699 /nfs/dbraw/zinc/12/16/99/1123121699.db2.gz GZIBHJUOPCPYAM-IYBDPMFKSA-N 2 1 292.492 3.548 20 0 CHADMP CCC(CC)C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001201523267 1123121700 /nfs/dbraw/zinc/12/17/00/1123121700.db2.gz GZIBHJUOPCPYAM-IYBDPMFKSA-N 2 1 292.492 3.548 20 0 CHADMP CCCC[C@@H](CC)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001201567925 1123125629 /nfs/dbraw/zinc/12/56/29/1123125629.db2.gz LFNZQCSTUWPBLK-MRXNPFEDSA-N 2 1 266.473 3.621 20 0 CHADMP CCC[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001201638398 1123130018 /nfs/dbraw/zinc/13/00/18/1123130018.db2.gz NGYUTHQTLZELPM-UAGQMJEPSA-N 2 1 292.492 3.690 20 0 CHADMP CCCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001201717245 1123140279 /nfs/dbraw/zinc/14/02/79/1123140279.db2.gz ICFBTOAPCAFHCH-LJQANCHMSA-N 2 1 286.463 3.775 20 0 CHADMP CCCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001201717245 1123140282 /nfs/dbraw/zinc/14/02/82/1123140282.db2.gz ICFBTOAPCAFHCH-LJQANCHMSA-N 2 1 286.463 3.775 20 0 CHADMP CCCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001201717245 1123140285 /nfs/dbraw/zinc/14/02/85/1123140285.db2.gz ICFBTOAPCAFHCH-LJQANCHMSA-N 2 1 286.463 3.775 20 0 CHADMP CCCCCC[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001201746411 1123144992 /nfs/dbraw/zinc/14/49/92/1123144992.db2.gz GNNMQOBTMUIBLQ-HZPDHXFCSA-N 2 1 292.492 3.692 20 0 CHADMP CCCCCC[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001201754875 1123145895 /nfs/dbraw/zinc/14/58/95/1123145895.db2.gz LINVWPHZSADQRA-KRWDZBQOSA-N 2 1 266.473 3.907 20 0 CHADMP Cc1cc(F)ccc1C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000509615268 1123161351 /nfs/dbraw/zinc/16/13/51/1123161351.db2.gz DVQGVKDETNQSQS-GASCZTMLSA-N 2 1 292.442 3.592 20 0 CHADMP Cc1cc(F)ccc1C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000509615268 1123161355 /nfs/dbraw/zinc/16/13/55/1123161355.db2.gz DVQGVKDETNQSQS-GASCZTMLSA-N 2 1 292.442 3.592 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000266919769 1123221800 /nfs/dbraw/zinc/22/18/00/1123221800.db2.gz YIDPAMKZDYRGCY-NSHDSACASA-N 2 1 297.324 3.561 20 0 CHADMP Cc1cc2c(cc1C)[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)CCS2 ZINC000427715393 1123245768 /nfs/dbraw/zinc/24/57/68/1123245768.db2.gz QIDSWMRZOQOQDO-HOCLYGCPSA-N 2 1 292.492 3.770 20 0 CHADMP CC[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(Cl)s1 ZINC000665249462 1123263632 /nfs/dbraw/zinc/26/36/32/1123263632.db2.gz QZEAVNFZJQHMNS-JTQLQIEISA-N 2 1 272.845 3.714 20 0 CHADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000474034896 1123318786 /nfs/dbraw/zinc/31/87/86/1123318786.db2.gz NAXSXNZRJGGJIE-QWHCGFSZSA-N 2 1 276.415 3.520 20 0 CHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271905998 1129115654 /nfs/dbraw/zinc/11/56/54/1129115654.db2.gz WQISDNZRFXBWIK-AWEZNQCLSA-N 2 1 284.403 3.654 20 0 CHADMP Cc1ccoc1CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272211127 1129117220 /nfs/dbraw/zinc/11/72/20/1129117220.db2.gz QEPDLXNGXKXEMA-SJLPKXTDSA-N 2 1 298.430 3.588 20 0 CHADMP Cc1ccoc1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272211127 1129117222 /nfs/dbraw/zinc/11/72/22/1129117222.db2.gz QEPDLXNGXKXEMA-SJLPKXTDSA-N 2 1 298.430 3.588 20 0 CHADMP Cc1ccoc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272211127 1129117225 /nfs/dbraw/zinc/11/72/25/1129117225.db2.gz QEPDLXNGXKXEMA-SJLPKXTDSA-N 2 1 298.430 3.588 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCCSCC(C)C)C[C@@H]1C ZINC000443618671 1123447559 /nfs/dbraw/zinc/44/75/59/1123447559.db2.gz DXLDKYHZJISPGH-HOTGVXAUSA-N 2 1 286.529 3.570 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCCSCC(C)C)C[C@@H]1C ZINC000443618671 1123447563 /nfs/dbraw/zinc/44/75/63/1123447563.db2.gz DXLDKYHZJISPGH-HOTGVXAUSA-N 2 1 286.529 3.570 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCSCC(C)C)C[C@@H]1C ZINC000443618671 1123447565 /nfs/dbraw/zinc/44/75/65/1123447565.db2.gz DXLDKYHZJISPGH-HOTGVXAUSA-N 2 1 286.529 3.570 20 0 CHADMP CC1([NH+]2CCC2)CC[NH+](Cc2cccc(C3CC3)c2)CC1 ZINC000895671376 1123504403 /nfs/dbraw/zinc/50/44/03/1123504403.db2.gz KUPUJLGIAFERME-UHFFFAOYSA-N 2 1 284.447 3.624 20 0 CHADMP CCc1cccc(Cl)c1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000474349842 1123511530 /nfs/dbraw/zinc/51/15/30/1123511530.db2.gz XMQJFJPLGIQXQY-CABCVRRESA-N 2 1 292.854 3.619 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000474472816 1123536430 /nfs/dbraw/zinc/53/64/30/1123536430.db2.gz OTYKJPDKSJJBKO-HYVNUMGLSA-N 2 1 277.456 3.632 20 0 CHADMP CC[NH+]1CCC([N@H+](C)CCCc2ccc(Cl)cc2)CC1 ZINC000157470122 1129128529 /nfs/dbraw/zinc/12/85/29/1129128529.db2.gz UMGFILPIGUSDKO-UHFFFAOYSA-N 2 1 294.870 3.689 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)CCCc2ccc(Cl)cc2)CC1 ZINC000157470122 1129128530 /nfs/dbraw/zinc/12/85/30/1129128530.db2.gz UMGFILPIGUSDKO-UHFFFAOYSA-N 2 1 294.870 3.689 20 0 CHADMP CCC[N@H+](C)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168040972 1123571517 /nfs/dbraw/zinc/57/15/17/1123571517.db2.gz PLXXPGAYFATXGW-HZPDHXFCSA-N 2 1 274.452 3.770 20 0 CHADMP CCC[N@@H+](C)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168040972 1123571521 /nfs/dbraw/zinc/57/15/21/1123571521.db2.gz PLXXPGAYFATXGW-HZPDHXFCSA-N 2 1 274.452 3.770 20 0 CHADMP CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000453353996 1123574530 /nfs/dbraw/zinc/57/45/30/1123574530.db2.gz OBLSFSJMJCAHNU-CADBVGFASA-N 2 1 286.463 3.704 20 0 CHADMP CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000453353996 1123574534 /nfs/dbraw/zinc/57/45/34/1123574534.db2.gz OBLSFSJMJCAHNU-CADBVGFASA-N 2 1 286.463 3.704 20 0 CHADMP CC[N@@H+](C1CC1)[C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168042389 1123595437 /nfs/dbraw/zinc/59/54/37/1123595437.db2.gz ZKISPWIOFQFBTR-HGKCTWBKSA-N 2 1 286.463 3.912 20 0 CHADMP CC[N@H+](C1CC1)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168042389 1123595438 /nfs/dbraw/zinc/59/54/38/1123595438.db2.gz ZKISPWIOFQFBTR-HGKCTWBKSA-N 2 1 286.463 3.912 20 0 CHADMP CC[N@@H+](C1CC1)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168042389 1123595440 /nfs/dbraw/zinc/59/54/40/1123595440.db2.gz ZKISPWIOFQFBTR-HGKCTWBKSA-N 2 1 286.463 3.912 20 0 CHADMP CC[NH+](C1CC1)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168042389 1123595441 /nfs/dbraw/zinc/59/54/41/1123595441.db2.gz ZKISPWIOFQFBTR-HGKCTWBKSA-N 2 1 286.463 3.912 20 0 CHADMP CC[NH+](C1CC1)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168042389 1123595443 /nfs/dbraw/zinc/59/54/43/1123595443.db2.gz ZKISPWIOFQFBTR-HGKCTWBKSA-N 2 1 286.463 3.912 20 0 CHADMP CC[N@@H+](C1CC1)C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168042390 1123595853 /nfs/dbraw/zinc/59/58/53/1123595853.db2.gz ZKISPWIOFQFBTR-HOTGVXAUSA-N 2 1 286.463 3.912 20 0 CHADMP CC[N@H+](C1CC1)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168042390 1123595856 /nfs/dbraw/zinc/59/58/56/1123595856.db2.gz ZKISPWIOFQFBTR-HOTGVXAUSA-N 2 1 286.463 3.912 20 0 CHADMP CC[N@@H+](C1CC1)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168042390 1123595861 /nfs/dbraw/zinc/59/58/61/1123595861.db2.gz ZKISPWIOFQFBTR-HOTGVXAUSA-N 2 1 286.463 3.912 20 0 CHADMP C[C@H]([NH2+]C(C1CC1)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274904682 1129133249 /nfs/dbraw/zinc/13/32/49/1129133249.db2.gz LXULRYPXVPQMMM-KXBFYZLASA-N 2 1 298.474 3.675 20 0 CHADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858098069 1123630888 /nfs/dbraw/zinc/63/08/88/1123630888.db2.gz GELORNLOSSXYIE-HIFRSBDPSA-N 2 1 294.870 3.733 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C1CCCC1 ZINC000157949563 1129135163 /nfs/dbraw/zinc/13/51/63/1129135163.db2.gz YYKUVBWUDRGPQG-CVEARBPZSA-N 2 1 266.473 3.667 20 0 CHADMP C[NH+](C)Cc1cnc(C[NH2+]C2(C)CCC(C)(C)CC2)s1 ZINC000858275892 1123641592 /nfs/dbraw/zinc/64/15/92/1123641592.db2.gz HSOJSSODCYBCMG-UHFFFAOYSA-N 2 1 295.496 3.653 20 0 CHADMP CCCc1cc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000443887014 1123646814 /nfs/dbraw/zinc/64/68/14/1123646814.db2.gz FTUZVBACLRUILC-GOEBONIOSA-N 2 1 297.446 3.504 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)s1 ZINC001205009299 1123647028 /nfs/dbraw/zinc/64/70/28/1123647028.db2.gz MWNNSPKNDATOFB-CQSZACIVSA-N 2 1 280.481 3.522 20 0 CHADMP CCC[N@H+](CCn1cc[nH+]c1C)[C@H]1CCc2ccccc21 ZINC000346323209 1123678561 /nfs/dbraw/zinc/67/85/61/1123678561.db2.gz KCRRCGBBBUEIRT-SFHVURJKSA-N 2 1 283.419 3.591 20 0 CHADMP CCC[N@@H+](CCn1cc[nH+]c1C)[C@H]1CCc2ccccc21 ZINC000346323209 1123678562 /nfs/dbraw/zinc/67/85/62/1123678562.db2.gz KCRRCGBBBUEIRT-SFHVURJKSA-N 2 1 283.419 3.591 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccc(F)cc1)C(C)(C)C ZINC000346305460 1123679941 /nfs/dbraw/zinc/67/99/41/1123679941.db2.gz IIVVMLYQGXGMST-UHFFFAOYSA-N 2 1 289.398 3.631 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccc(F)cc1)C(C)(C)C ZINC000346305460 1123679942 /nfs/dbraw/zinc/67/99/42/1123679942.db2.gz IIVVMLYQGXGMST-UHFFFAOYSA-N 2 1 289.398 3.631 20 0 CHADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000346693999 1123707204 /nfs/dbraw/zinc/70/72/04/1123707204.db2.gz RBFYYLJRRZIMIO-DZGCQCFKSA-N 2 1 286.444 3.584 20 0 CHADMP Cc1ccc([C@@H]2CCCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346982103 1123738834 /nfs/dbraw/zinc/73/88/34/1123738834.db2.gz MYSKPAHGRGJSRA-AEFFLSMTSA-N 2 1 272.436 3.522 20 0 CHADMP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(OC)cc1 ZINC000262378231 1123742863 /nfs/dbraw/zinc/74/28/63/1123742863.db2.gz YLYZFVLLNJSFDV-GBESFXJTSA-N 2 1 296.414 3.881 20 0 CHADMP C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(-c2ccccc2)o1 ZINC000158249678 1129142373 /nfs/dbraw/zinc/14/23/73/1129142373.db2.gz UGPQBWWWQBCOBF-CVEARBPZSA-N 2 1 298.430 3.939 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccc(-c2ccccc2)o1 ZINC000158249678 1129142379 /nfs/dbraw/zinc/14/23/79/1129142379.db2.gz UGPQBWWWQBCOBF-CVEARBPZSA-N 2 1 298.430 3.939 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(-c2ccccc2)o1 ZINC000158249678 1129142382 /nfs/dbraw/zinc/14/23/82/1129142382.db2.gz UGPQBWWWQBCOBF-CVEARBPZSA-N 2 1 298.430 3.939 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(-c2ccccc2)o1 ZINC000158249678 1129142384 /nfs/dbraw/zinc/14/23/84/1129142384.db2.gz UGPQBWWWQBCOBF-CVEARBPZSA-N 2 1 298.430 3.939 20 0 CHADMP Cc1cc(F)ccc1[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000840810050 1123817158 /nfs/dbraw/zinc/81/71/58/1123817158.db2.gz NVSWZOPAMOMHIN-LSDHHAIUSA-N 2 1 278.415 3.517 20 0 CHADMP Cc1oc2ccccc2c1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000925140171 1123823614 /nfs/dbraw/zinc/82/36/14/1123823614.db2.gz JAUWQMHBHVIGCI-VNHYZAJKSA-N 2 1 286.419 3.875 20 0 CHADMP Cc1oc2ccccc2c1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000925140171 1123823620 /nfs/dbraw/zinc/82/36/20/1123823620.db2.gz JAUWQMHBHVIGCI-VNHYZAJKSA-N 2 1 286.419 3.875 20 0 CHADMP CC(C)[C@H](C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000475218629 1123824108 /nfs/dbraw/zinc/82/41/08/1123824108.db2.gz ZERBOVYNGZOLCF-MOPGFXCFSA-N 2 1 288.479 3.842 20 0 CHADMP C[C@H]1CCC[N@H+](CCCCNc2cc[nH+]cc2Cl)C1 ZINC000301498204 1123905741 /nfs/dbraw/zinc/90/57/41/1123905741.db2.gz DMMCOSMPWHFPOM-ZDUSSCGKSA-N 2 1 281.831 3.659 20 0 CHADMP C[C@H]1CCC[N@@H+](CCCCNc2cc[nH+]cc2Cl)C1 ZINC000301498204 1123905744 /nfs/dbraw/zinc/90/57/44/1123905744.db2.gz DMMCOSMPWHFPOM-ZDUSSCGKSA-N 2 1 281.831 3.659 20 0 CHADMP Clc1c[nH+]ccc1NCCCCC[NH+]1CCCCC1 ZINC000301494461 1123905892 /nfs/dbraw/zinc/90/58/92/1123905892.db2.gz AVNDNQGHQDDKPQ-UHFFFAOYSA-N 2 1 281.831 3.803 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@H]13)CCC2 ZINC000339065601 1123914224 /nfs/dbraw/zinc/91/42/24/1123914224.db2.gz BFNFQNQHFRGXOG-CEXWTWQISA-N 2 1 284.447 3.589 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@H]13)CCC2 ZINC000339065601 1123914227 /nfs/dbraw/zinc/91/42/27/1123914227.db2.gz BFNFQNQHFRGXOG-CEXWTWQISA-N 2 1 284.447 3.589 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+](C)C(C)C)CCC2 ZINC000339066249 1123922010 /nfs/dbraw/zinc/92/20/10/1123922010.db2.gz JJKWHTYWZGZLNM-SFHVURJKSA-N 2 1 274.452 3.692 20 0 CHADMP C[NH+](C)[C@@H](CNc1cc[nH+]c2cc(Cl)ccc12)C1CC1 ZINC000301973455 1123947308 /nfs/dbraw/zinc/94/73/08/1123947308.db2.gz AOZSFCJIUFEBQL-INIZCTEOSA-N 2 1 289.810 3.640 20 0 CHADMP CCC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CCCCC1 ZINC000152442634 1124002659 /nfs/dbraw/zinc/00/26/59/1124002659.db2.gz DTIPCVRQVGYTRN-QAPCUYQASA-N 2 1 278.484 3.809 20 0 CHADMP Cc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1C ZINC000035012024 1124023133 /nfs/dbraw/zinc/02/31/33/1124023133.db2.gz XZXHOQURBRCDCE-KRWDZBQOSA-N 2 1 274.452 3.658 20 0 CHADMP CC(C)([NH2+]CCC[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000444616114 1124045000 /nfs/dbraw/zinc/04/50/00/1124045000.db2.gz HWLJLVVQCALKMK-UHFFFAOYSA-N 2 1 296.405 3.666 20 0 CHADMP CCC[C@@H](C)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000447084511 1124132062 /nfs/dbraw/zinc/13/20/62/1124132062.db2.gz FOBRRXVBAPAQKR-CQSZACIVSA-N 2 1 276.424 3.669 20 0 CHADMP CCC[NH+](CCC)CCC[NH2+][C@H]1CCCc2occc21 ZINC000447531074 1124483142 /nfs/dbraw/zinc/48/31/42/1124483142.db2.gz PVJOEAKRTILBQI-INIZCTEOSA-N 2 1 278.440 3.759 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c(C)o1 ZINC000447585613 1124492083 /nfs/dbraw/zinc/49/20/83/1124492083.db2.gz KWHDNIULRPRXMP-RDJZCZTQSA-N 2 1 292.467 3.915 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c(C)o1 ZINC000447585613 1124492084 /nfs/dbraw/zinc/49/20/84/1124492084.db2.gz KWHDNIULRPRXMP-RDJZCZTQSA-N 2 1 292.467 3.915 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000447600443 1124499296 /nfs/dbraw/zinc/49/92/96/1124499296.db2.gz LZQGZPQKEJLDQS-RUGGUXRKSA-N 2 1 298.474 3.960 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(Cl)c2)[C@H](C)C1 ZINC000447728857 1124512351 /nfs/dbraw/zinc/51/23/51/1124512351.db2.gz NGBODKGODPOAJS-PBHICJAKSA-N 2 1 294.870 3.811 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)c(Cl)c2)[C@H](C)C1 ZINC000447728857 1124512355 /nfs/dbraw/zinc/51/23/55/1124512355.db2.gz NGBODKGODPOAJS-PBHICJAKSA-N 2 1 294.870 3.811 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)c(Cl)c2)[C@H](C)C1 ZINC000447728857 1124512358 /nfs/dbraw/zinc/51/23/58/1124512358.db2.gz NGBODKGODPOAJS-PBHICJAKSA-N 2 1 294.870 3.811 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1Cl ZINC000447734715 1124516742 /nfs/dbraw/zinc/51/67/42/1124516742.db2.gz YNVAFEWLKDZFFA-NVXWUHKLSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000447734715 1124516750 /nfs/dbraw/zinc/51/67/50/1124516750.db2.gz YNVAFEWLKDZFFA-NVXWUHKLSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1Cl ZINC000447734715 1124516753 /nfs/dbraw/zinc/51/67/53/1124516753.db2.gz YNVAFEWLKDZFFA-NVXWUHKLSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1Cl ZINC000447734715 1124516764 /nfs/dbraw/zinc/51/67/64/1124516764.db2.gz YNVAFEWLKDZFFA-NVXWUHKLSA-N 2 1 292.854 3.565 20 0 CHADMP C[C@H](C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000447821845 1124529774 /nfs/dbraw/zinc/52/97/74/1124529774.db2.gz NPYZTXNKKLHDKE-QZTJIDSGSA-N 2 1 288.479 3.892 20 0 CHADMP C[C@@H]1C[C@@H](C)[NH+]1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000526989446 1124537776 /nfs/dbraw/zinc/53/77/76/1124537776.db2.gz CIKSWLLRZOEPBY-HZPDHXFCSA-N 2 1 274.452 3.627 20 0 CHADMP C[C@@H]1C[C@@H](C)[NH+]1CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000526989446 1124537786 /nfs/dbraw/zinc/53/77/86/1124537786.db2.gz CIKSWLLRZOEPBY-HZPDHXFCSA-N 2 1 274.452 3.627 20 0 CHADMP C[C@@H]1C[C@H](C)[N@H+]1CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000526989447 1124538556 /nfs/dbraw/zinc/53/85/56/1124538556.db2.gz CIKSWLLRZOEPBY-IYBDPMFKSA-N 2 1 274.452 3.627 20 0 CHADMP C[C@@H]1C[C@H](C)[N@@H+]1CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000526989447 1124538561 /nfs/dbraw/zinc/53/85/61/1124538561.db2.gz CIKSWLLRZOEPBY-IYBDPMFKSA-N 2 1 274.452 3.627 20 0 CHADMP C[C@@H]1C[C@H](C)[NH+]1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000526989447 1124538571 /nfs/dbraw/zinc/53/85/71/1124538571.db2.gz CIKSWLLRZOEPBY-IYBDPMFKSA-N 2 1 274.452 3.627 20 0 CHADMP C[C@@H]1C[C@H](C)[NH+]1CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000526989447 1124538575 /nfs/dbraw/zinc/53/85/75/1124538575.db2.gz CIKSWLLRZOEPBY-IYBDPMFKSA-N 2 1 274.452 3.627 20 0 CHADMP CC(C)CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000449086512 1124644428 /nfs/dbraw/zinc/64/44/28/1124644428.db2.gz BWNVSMWOYSPAOL-VSZNYVQBSA-N 2 1 278.484 3.808 20 0 CHADMP CC[N@H+](CC[NH2+]C1CCC(OC2CCCC2)CC1)C(C)C ZINC000449111885 1124654407 /nfs/dbraw/zinc/65/44/07/1124654407.db2.gz OTTJVDBPEKMLCV-UHFFFAOYSA-N 2 1 296.499 3.577 20 0 CHADMP CC[N@@H+](CC[NH2+]C1CCC(OC2CCCC2)CC1)C(C)C ZINC000449111885 1124654410 /nfs/dbraw/zinc/65/44/10/1124654410.db2.gz OTTJVDBPEKMLCV-UHFFFAOYSA-N 2 1 296.499 3.577 20 0 CHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(C)(C)C)[C@H](C)C1 ZINC000449140246 1124655708 /nfs/dbraw/zinc/65/57/08/1124655708.db2.gz MXLKLCGYTFUWTH-IKGGRYGDSA-N 2 1 298.515 3.538 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)C1CCC1 ZINC000449212460 1124670752 /nfs/dbraw/zinc/67/07/52/1124670752.db2.gz SQJPIBFIPBLMTE-DOTOQJQBSA-N 2 1 266.473 3.523 20 0 CHADMP CCCn1cc[nH+]c1CCCN(C)c1cc[nH+]cc1C1CC1 ZINC000872521042 1124719777 /nfs/dbraw/zinc/71/97/77/1124719777.db2.gz CZEMSNMHQQJMFE-UHFFFAOYSA-N 2 1 298.434 3.635 20 0 CHADMP CC(C)CC[C@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560455 1124802413 /nfs/dbraw/zinc/80/24/13/1124802413.db2.gz LKHPSYVORDNUNB-AJYUKVHDSA-N 2 1 278.484 3.806 20 0 CHADMP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000449560662 1124802546 /nfs/dbraw/zinc/80/25/46/1124802546.db2.gz OEHCJLXTWRMJEN-VUCRHFMTSA-N 2 1 278.484 3.806 20 0 CHADMP CCc1ccc2[nH+]ccc(N3CC[C@@H](C[N@H+](C)CC)C3)c2c1 ZINC000450359732 1124998818 /nfs/dbraw/zinc/99/88/18/1124998818.db2.gz IBHKQIAPQTWHNQ-INIZCTEOSA-N 2 1 297.446 3.575 20 0 CHADMP C([N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C12CCC(CC1)C2 ZINC000450426450 1125015694 /nfs/dbraw/zinc/01/56/94/1125015694.db2.gz PYLXCXYPXDOFSW-ADKAHSJRSA-N 2 1 276.468 3.517 20 0 CHADMP C1=C(CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCCC1 ZINC000450440037 1125025861 /nfs/dbraw/zinc/02/58/61/1125025861.db2.gz OPEMZWATEGTHSG-GOSISDBHSA-N 2 1 276.468 3.685 20 0 CHADMP C[NH+](Cc1cc(C[N@H+](C)C2CCC2)ccc1F)C1CCC1 ZINC000450444196 1125027927 /nfs/dbraw/zinc/02/79/27/1125027927.db2.gz XVWOJFBXMISVIJ-UHFFFAOYSA-N 2 1 290.426 3.794 20 0 CHADMP C[NH+](Cc1ccc(F)c(C[N@H+](C)C2CCC2)c1)C1CCC1 ZINC000450444196 1125027938 /nfs/dbraw/zinc/02/79/38/1125027938.db2.gz XVWOJFBXMISVIJ-UHFFFAOYSA-N 2 1 290.426 3.794 20 0 CHADMP C[NH+](Cc1ccc(F)c(C[N@@H+](C)C2CCC2)c1)C1CCC1 ZINC000450444196 1125027946 /nfs/dbraw/zinc/02/79/46/1125027946.db2.gz XVWOJFBXMISVIJ-UHFFFAOYSA-N 2 1 290.426 3.794 20 0 CHADMP C[C@@H]1C[C@H]([N@@H+](C)CC/C=C\c2ccccc2)CCN1C ZINC000450472052 1125038708 /nfs/dbraw/zinc/03/87/08/1125038708.db2.gz XCTSPDBIABOVCQ-JAYNKOPWSA-N 2 1 272.436 3.504 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)CC/C=C\c2ccccc2)CC[N@@H+]1C ZINC000450472052 1125038712 /nfs/dbraw/zinc/03/87/12/1125038712.db2.gz XCTSPDBIABOVCQ-JAYNKOPWSA-N 2 1 272.436 3.504 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)CC/C=C\c2ccccc2)CC[N@H+]1C ZINC000450472052 1125038722 /nfs/dbraw/zinc/03/87/22/1125038722.db2.gz XCTSPDBIABOVCQ-JAYNKOPWSA-N 2 1 272.436 3.504 20 0 CHADMP C[C@@H]1C[C@H]([N@H+](C)CC/C=C\c2ccccc2)CC[NH+]1C ZINC000450472052 1125038732 /nfs/dbraw/zinc/03/87/32/1125038732.db2.gz XCTSPDBIABOVCQ-JAYNKOPWSA-N 2 1 272.436 3.504 20 0 CHADMP C[C@@H]1C[C@H]([N@@H+](C)CC/C=C\c2ccccc2)CC[NH+]1C ZINC000450472052 1125038742 /nfs/dbraw/zinc/03/87/42/1125038742.db2.gz XCTSPDBIABOVCQ-JAYNKOPWSA-N 2 1 272.436 3.504 20 0 CHADMP CC1(C)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390696307 1125111146 /nfs/dbraw/zinc/11/11/46/1125111146.db2.gz RQMIWHUHJCIHMG-XVLXNVKGSA-N 2 1 298.474 3.960 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)CC[C@H]2CCCC2(F)F)CC1 ZINC000878034189 1125114114 /nfs/dbraw/zinc/11/41/14/1125114114.db2.gz KJRUSPXCCNPFQW-CQSZACIVSA-N 2 1 288.426 3.617 20 0 CHADMP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000392240379 1125141927 /nfs/dbraw/zinc/14/19/27/1125141927.db2.gz JTAOYIHGDJWOST-DBVUQKKJSA-N 2 1 298.474 3.810 20 0 CHADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc2c(s1)CCCC2 ZINC000392275041 1125144469 /nfs/dbraw/zinc/14/44/69/1125144469.db2.gz GBXQBPBGIPAUAX-ZDUSSCGKSA-N 2 1 290.476 3.539 20 0 CHADMP CCC1([NH+]2CCCC2)CC[NH+](CCc2cccs2)CC1 ZINC000879206734 1125202200 /nfs/dbraw/zinc/20/22/00/1125202200.db2.gz SUCHXYNCTBWUKC-UHFFFAOYSA-N 2 1 292.492 3.631 20 0 CHADMP C[C@@H]1C[C@@H](Nc2ccc([NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000127886565 1125222886 /nfs/dbraw/zinc/22/28/86/1125222886.db2.gz VUPVNEVZNGEAOI-WBVHZDCISA-N 2 1 287.451 3.572 20 0 CHADMP C[C@@H]1C[C@@H](Nc2ccc([NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000127886565 1125222892 /nfs/dbraw/zinc/22/28/92/1125222892.db2.gz VUPVNEVZNGEAOI-WBVHZDCISA-N 2 1 287.451 3.572 20 0 CHADMP CCc1ccc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000532112811 1125235693 /nfs/dbraw/zinc/23/56/93/1125235693.db2.gz PXVCNTPOEFDRHL-IYBDPMFKSA-N 2 1 292.467 3.690 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)[C@@H](C)C1 ZINC000532206259 1125237677 /nfs/dbraw/zinc/23/76/77/1125237677.db2.gz FNEFILGTNSBRNM-MAUKXSAKSA-N 2 1 274.452 3.630 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000532205983 1125238481 /nfs/dbraw/zinc/23/84/81/1125238481.db2.gz OAYDRBGURCEZRH-VKJFTORMSA-N 2 1 288.479 3.802 20 0 CHADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000532198403 1125239091 /nfs/dbraw/zinc/23/90/91/1125239091.db2.gz RSQCEXFKVZCVLU-KRWDZBQOSA-N 2 1 294.442 3.786 20 0 CHADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000532198403 1125239099 /nfs/dbraw/zinc/23/90/99/1125239099.db2.gz RSQCEXFKVZCVLU-KRWDZBQOSA-N 2 1 294.442 3.786 20 0 CHADMP Cc1ccc([C@@H]2CC[N@H+](CCc3cncn3C)C2(C)C)cc1 ZINC000880288329 1125261502 /nfs/dbraw/zinc/26/15/02/1125261502.db2.gz YSBQRIVCYSOYDY-SFHVURJKSA-N 2 1 297.446 3.539 20 0 CHADMP COc1cc(C)ccc1[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000037236781 1125364798 /nfs/dbraw/zinc/36/47/98/1125364798.db2.gz QVXDRMJVSXVNBP-HNNXBMFYSA-N 2 1 290.451 3.527 20 0 CHADMP Cc1cccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1C ZINC000623420814 1125378032 /nfs/dbraw/zinc/37/80/32/1125378032.db2.gz PGELICKWPCGAII-CVEARBPZSA-N 2 1 274.452 3.827 20 0 CHADMP C1=C[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000883246563 1125383500 /nfs/dbraw/zinc/38/35/00/1125383500.db2.gz LOHCWSWFALFEME-FFGOWVMKSA-N 2 1 296.458 3.738 20 0 CHADMP C1=C[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000883246562 1125383683 /nfs/dbraw/zinc/38/36/83/1125383683.db2.gz LOHCWSWFALFEME-AFYVEPGGSA-N 2 1 296.458 3.738 20 0 CHADMP C1=C[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000883246566 1125383705 /nfs/dbraw/zinc/38/37/05/1125383705.db2.gz LOHCWSWFALFEME-RSPOEFSDSA-N 2 1 296.458 3.738 20 0 CHADMP C=C/C=C\CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000883259997 1125387241 /nfs/dbraw/zinc/38/72/41/1125387241.db2.gz GYABKAUINVSUOZ-LLHWWHOWSA-N 2 1 296.458 3.906 20 0 CHADMP C=C/C=C\CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000883259997 1125387243 /nfs/dbraw/zinc/38/72/43/1125387243.db2.gz GYABKAUINVSUOZ-LLHWWHOWSA-N 2 1 296.458 3.906 20 0 CHADMP Cc1cccc(CC[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000040623589 1125388858 /nfs/dbraw/zinc/38/88/58/1125388858.db2.gz UJQWKOAPZJAMAY-MJGOQNOKSA-N 2 1 288.479 3.636 20 0 CHADMP CC(C)c1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000040621178 1125389231 /nfs/dbraw/zinc/38/92/31/1125389231.db2.gz XNASBUSZQHTQJZ-QGZVFWFLSA-N 2 1 274.452 3.630 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC000040620653 1125389268 /nfs/dbraw/zinc/38/92/68/1125389268.db2.gz VPUYLJLAQMBQMC-KRWDZBQOSA-N 2 1 288.479 3.804 20 0 CHADMP C[C@@H](CCc1ccco1)[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000040668717 1125389387 /nfs/dbraw/zinc/38/93/87/1125389387.db2.gz JNEDYONREJPKOW-RYRKJORJSA-N 2 1 292.467 3.701 20 0 CHADMP CC1CCC([NH+]2CCC([NH3+])(c3ccccc3F)CC2)CC1 ZINC001168204540 1125411502 /nfs/dbraw/zinc/41/15/02/1125411502.db2.gz XPONXAWZKSRUOT-UHFFFAOYSA-N 2 1 290.426 3.654 20 0 CHADMP CC[C@H](C[NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000348240015 1125427073 /nfs/dbraw/zinc/42/70/73/1125427073.db2.gz HDZSFNBPEVVVBB-DOTOQJQBSA-N 2 1 285.435 3.611 20 0 CHADMP CCS[C@@H]1CC[C@@H]([N@H+](C)CCCCn2cc[nH+]c2C)C1 ZINC000125537808 1125449629 /nfs/dbraw/zinc/44/96/29/1125449629.db2.gz KTHLJBZTSWDZPX-HZPDHXFCSA-N 2 1 295.496 3.578 20 0 CHADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)CCCCn2cc[nH+]c2C)C1 ZINC000125537808 1125449632 /nfs/dbraw/zinc/44/96/32/1125449632.db2.gz KTHLJBZTSWDZPX-HZPDHXFCSA-N 2 1 295.496 3.578 20 0 CHADMP CCC[C@@H](C)[C@H]1CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000125600829 1125450078 /nfs/dbraw/zinc/45/00/78/1125450078.db2.gz OMIYJBOXESSLOJ-NVXWUHKLSA-N 2 1 277.456 3.872 20 0 CHADMP CCC[C@@H](C)[C@H]1CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000125600829 1125450080 /nfs/dbraw/zinc/45/00/80/1125450080.db2.gz OMIYJBOXESSLOJ-NVXWUHKLSA-N 2 1 277.456 3.872 20 0 CHADMP CCS[C@H]1CC[C@@H]([N@H+](C)CCCCn2cc[nH+]c2C)C1 ZINC000125538014 1125450179 /nfs/dbraw/zinc/45/01/79/1125450179.db2.gz KTHLJBZTSWDZPX-CVEARBPZSA-N 2 1 295.496 3.578 20 0 CHADMP CCS[C@H]1CC[C@@H]([N@@H+](C)CCCCn2cc[nH+]c2C)C1 ZINC000125538014 1125450181 /nfs/dbraw/zinc/45/01/81/1125450181.db2.gz KTHLJBZTSWDZPX-CVEARBPZSA-N 2 1 295.496 3.578 20 0 CHADMP CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000125600531 1125450257 /nfs/dbraw/zinc/45/02/57/1125450257.db2.gz OMIYJBOXESSLOJ-WBVHZDCISA-N 2 1 277.456 3.872 20 0 CHADMP CCC[C@@H](C)[C@@H]1CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000125600531 1125450258 /nfs/dbraw/zinc/45/02/58/1125450258.db2.gz OMIYJBOXESSLOJ-WBVHZDCISA-N 2 1 277.456 3.872 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000348267282 1125453064 /nfs/dbraw/zinc/45/30/64/1125453064.db2.gz PUGGNPFLRWNURP-ROUUACIJSA-N 2 1 272.436 3.602 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)C2CCCC2)CC[N@@H+]1C ZINC000164531943 1129208713 /nfs/dbraw/zinc/20/87/13/1129208713.db2.gz BDOYMVXNGPTUNC-MNEFBYGVSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)C2CCCC2)CC[N@H+]1C ZINC000164531943 1129208717 /nfs/dbraw/zinc/20/87/17/1129208717.db2.gz BDOYMVXNGPTUNC-MNEFBYGVSA-N 2 1 286.463 3.990 20 0 CHADMP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1cccs1 ZINC000164633222 1129209574 /nfs/dbraw/zinc/20/95/74/1129209574.db2.gz TWYZBOGVCLWNBW-AWEZNQCLSA-N 2 1 277.437 3.774 20 0 CHADMP Cc1cc(C)cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000296116474 1129220608 /nfs/dbraw/zinc/22/06/08/1129220608.db2.gz ZURQRURSHZPYQE-CCNLRDMRSA-N 2 1 272.436 3.579 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCC(=C2CCC2)CC1 ZINC000638335324 1129254645 /nfs/dbraw/zinc/25/46/45/1129254645.db2.gz MDCILLRWSRHTDD-AWEZNQCLSA-N 2 1 287.451 3.840 20 0 CHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000638610736 1129263733 /nfs/dbraw/zinc/26/37/33/1129263733.db2.gz FGBLBFNJSRPIOG-DKKFBQAASA-N 2 1 298.474 3.848 20 0 CHADMP CC1CC([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638726529 1129267677 /nfs/dbraw/zinc/26/76/77/1129267677.db2.gz RHBQZMRCTUMODI-JWBIFMHMSA-N 2 1 284.447 3.743 20 0 CHADMP CC1CC([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638726529 1129267679 /nfs/dbraw/zinc/26/76/79/1129267679.db2.gz RHBQZMRCTUMODI-JWBIFMHMSA-N 2 1 284.447 3.743 20 0 CHADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCC3CC3)CC[N@@H+]2C2CC2)cc1 ZINC000638715928 1129267708 /nfs/dbraw/zinc/26/77/08/1129267708.db2.gz YECLAAUMDGTSFJ-HKUYNNGSSA-N 2 1 284.447 3.744 20 0 CHADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCC3CC3)CC[N@H+]2C2CC2)cc1 ZINC000638715928 1129267710 /nfs/dbraw/zinc/26/77/10/1129267710.db2.gz YECLAAUMDGTSFJ-HKUYNNGSSA-N 2 1 284.447 3.744 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000638853799 1129272725 /nfs/dbraw/zinc/27/27/25/1129272725.db2.gz KBCYHWBOHZJLPI-YOEHRIQHSA-N 2 1 292.492 3.510 20 0 CHADMP C[NH+]1CCC2(CC[N@@H+](CC/C=C\c3ccccc3)C2)CC1 ZINC000639755390 1129331804 /nfs/dbraw/zinc/33/18/04/1129331804.db2.gz JKVDNSDJVLJBES-UITAMQMPSA-N 2 1 284.447 3.508 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758254 1129332836 /nfs/dbraw/zinc/33/28/36/1129332836.db2.gz RVFYXZKOVAAQTK-KRWDZBQOSA-N 2 1 290.426 3.695 20 0 CHADMP C[N@@H+](Cc1cc(Cl)ccc1Cl)C1CCC([NH3+])CC1 ZINC000091848002 1129373477 /nfs/dbraw/zinc/37/34/77/1129373477.db2.gz WWDLWGMRTFMENQ-UHFFFAOYSA-N 2 1 287.234 3.695 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2c1cccc2Cl ZINC001138836936 1129380366 /nfs/dbraw/zinc/38/03/66/1129380366.db2.gz SYBCKSMKAZSNAR-UHFFFAOYSA-N 2 1 293.842 3.595 20 0 CHADMP [NH3+]C[C@H]1CCCC[N@@H+](CC2(c3ccccc3)CCCC2)C1 ZINC001206606214 1129381167 /nfs/dbraw/zinc/38/11/67/1129381167.db2.gz HEZVUYPIIGVLEW-QGZVFWFLSA-N 2 1 286.463 3.559 20 0 CHADMP CCCC[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)s2)CC[NH2+]1 ZINC001246176319 1131374151 /nfs/dbraw/zinc/37/41/51/1131374151.db2.gz OVLVZXNBSAEDJH-NWDGAFQWSA-N 2 1 286.872 3.802 20 0 CHADMP CC(C)[NH2+]CCC[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000643508327 1129443518 /nfs/dbraw/zinc/44/35/18/1129443518.db2.gz LMKRGHARURQSPW-WCQYABFASA-N 2 1 284.494 3.651 20 0 CHADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-c2c(F)cccc2F)cc1 ZINC000643527634 1129444914 /nfs/dbraw/zinc/44/49/14/1129444914.db2.gz PWDLDQSWPWKBDT-NEPJUHHUSA-N 2 1 290.357 3.630 20 0 CHADMP CC1(C)Cc2occc2[C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000643546699 1129445387 /nfs/dbraw/zinc/44/53/87/1129445387.db2.gz SUZIZCLOXZITRF-UKRRQHHQSA-N 2 1 288.435 3.557 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1nccc2ccccc21 ZINC000643547964 1129445402 /nfs/dbraw/zinc/44/54/02/1129445402.db2.gz LHCLTMJPUORXDW-ZBFHGGJFSA-N 2 1 295.430 3.560 20 0 CHADMP CCCCC[C@@H](CCC)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001258662569 1129471600 /nfs/dbraw/zinc/47/16/00/1129471600.db2.gz RDXOXJGURVPKPW-CVEARBPZSA-N 2 1 254.462 3.809 20 0 CHADMP CCCCCC(C)(C)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000796322301 1129537791 /nfs/dbraw/zinc/53/77/91/1129537791.db2.gz JDULLZYTGPCDIS-UHFFFAOYSA-N 2 1 297.512 3.901 20 0 CHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCCC3CC3)CC23CC3)cc1 ZINC000647184659 1129555391 /nfs/dbraw/zinc/55/53/91/1129555391.db2.gz WEQSWPQLSZQZMG-LJQANCHMSA-N 2 1 298.474 3.963 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCCC3CC3)CC23CC3)cc1 ZINC000647184659 1129555393 /nfs/dbraw/zinc/55/53/93/1129555393.db2.gz WEQSWPQLSZQZMG-LJQANCHMSA-N 2 1 298.474 3.963 20 0 CHADMP CC[C@H](C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000647479780 1129578557 /nfs/dbraw/zinc/57/85/57/1129578557.db2.gz ULQTXXFKYAFNSR-NEWSRXKRSA-N 2 1 286.463 3.644 20 0 CHADMP Fc1ccc(C[N@@H+](C[C@@H]2CC[NH2+]C2)C2CCCCC2)cc1 ZINC000647872764 1129586237 /nfs/dbraw/zinc/58/62/37/1129586237.db2.gz PBARJDYHCSDCNO-MRXNPFEDSA-N 2 1 290.426 3.570 20 0 CHADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)c1cc2ccccc2o1 ZINC000647882243 1129587366 /nfs/dbraw/zinc/58/73/66/1129587366.db2.gz ZVFNFTKSJZXHIE-HUUCEWRRSA-N 2 1 286.419 3.815 20 0 CHADMP CC(C)C[C@H](C)C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000648068360 1129595468 /nfs/dbraw/zinc/59/54/68/1129595468.db2.gz UJPPSNYHOWIPBY-UHOSZYNNSA-N 2 1 288.479 3.604 20 0 CHADMP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000037197191 1129596357 /nfs/dbraw/zinc/59/63/57/1129596357.db2.gz QTDZVXARTDGJLP-AWEZNQCLSA-N 2 1 296.455 3.540 20 0 CHADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000648560357 1129614258 /nfs/dbraw/zinc/61/42/58/1129614258.db2.gz BGDGXHCZIXNOPS-IKGGRYGDSA-N 2 1 289.467 3.640 20 0 CHADMP CC(C)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000380923373 1129641376 /nfs/dbraw/zinc/64/13/76/1129641376.db2.gz ZQBOMZBTDYCGQI-SJLPKXTDSA-N 2 1 274.452 3.533 20 0 CHADMP CC1(C)CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000380907215 1129641745 /nfs/dbraw/zinc/64/17/45/1129641745.db2.gz HKZWVYFQCIPZBO-MSOLQXFVSA-N 2 1 286.463 3.677 20 0 CHADMP C(=C\C[N@H+]1CCC12CCCC2)\C[NH+]1CCC12CCCC2 ZINC000649657844 1129667498 /nfs/dbraw/zinc/66/74/98/1129667498.db2.gz OPRSTMMTEVMAIM-WAYWQWQTSA-N 2 1 274.452 3.580 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1oc2c(cccc2C)c1C ZINC000649819936 1129680032 /nfs/dbraw/zinc/68/00/32/1129680032.db2.gz NAVBVKLRXNTWDU-UHFFFAOYSA-N 2 1 297.402 3.687 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](C)Cc1oc2c(cccc2C)c1C ZINC000649819936 1129680034 /nfs/dbraw/zinc/68/00/34/1129680034.db2.gz NAVBVKLRXNTWDU-UHFFFAOYSA-N 2 1 297.402 3.687 20 0 CHADMP CC(C)C[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001169049713 1129691885 /nfs/dbraw/zinc/69/18/85/1129691885.db2.gz JMZPWCTYWSZJPF-RTBURBONSA-N 2 1 288.479 3.575 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCC1CCCCCCC1)C2 ZINC001169099752 1129696617 /nfs/dbraw/zinc/69/66/17/1129696617.db2.gz VAKGVFMWKUYHCJ-BCDXTJNWSA-N 2 1 278.484 3.952 20 0 CHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1)C2 ZINC001169093808 1129696712 /nfs/dbraw/zinc/69/67/12/1129696712.db2.gz JGFMOLFAEZFDJP-QDMKHBRRSA-N 2 1 299.245 3.708 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1)C2 ZINC001169093808 1129696713 /nfs/dbraw/zinc/69/67/13/1129696713.db2.gz JGFMOLFAEZFDJP-QDMKHBRRSA-N 2 1 299.245 3.708 20 0 CHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)c(Cl)c1 ZINC001169099745 1129696814 /nfs/dbraw/zinc/69/68/14/1129696814.db2.gz UQVKJDSQSKMKND-ZRJCITRHSA-N 2 1 296.817 3.755 20 0 CHADMP CCCCCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099654 1129696770 /nfs/dbraw/zinc/69/67/70/1129696770.db2.gz DHJGFZQQKTUYAM-FPCVCCKLSA-N 2 1 252.446 3.560 20 0 CHADMP Cc1c(C)n([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccc(C[NH3+])cc12 ZINC001169092904 1129696860 /nfs/dbraw/zinc/69/68/60/1129696860.db2.gz DSQVGVKKJYQYGK-BJWYYQGGSA-N 2 1 297.446 3.515 20 0 CHADMP CCC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1F ZINC001169102328 1129697423 /nfs/dbraw/zinc/69/74/23/1129697423.db2.gz ZTTGKRFVMXUPTJ-ZXFNITATSA-N 2 1 290.426 3.882 20 0 CHADMP CCC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1F ZINC001169102328 1129697425 /nfs/dbraw/zinc/69/74/25/1129697425.db2.gz ZTTGKRFVMXUPTJ-ZXFNITATSA-N 2 1 290.426 3.882 20 0 CHADMP CC(C)[N@H+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169122564 1129700221 /nfs/dbraw/zinc/70/02/21/1129700221.db2.gz ALSKNOUGKKGWMH-BCDXTJNWSA-N 2 1 272.436 3.522 20 0 CHADMP CC(C)[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169122564 1129700222 /nfs/dbraw/zinc/70/02/22/1129700222.db2.gz ALSKNOUGKKGWMH-BCDXTJNWSA-N 2 1 272.436 3.522 20 0 CHADMP CC(C)[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169122564 1129700225 /nfs/dbraw/zinc/70/02/25/1129700225.db2.gz ALSKNOUGKKGWMH-BCDXTJNWSA-N 2 1 272.436 3.522 20 0 CHADMP CC(C)[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169122564 1129700227 /nfs/dbraw/zinc/70/02/27/1129700227.db2.gz ALSKNOUGKKGWMH-BCDXTJNWSA-N 2 1 272.436 3.522 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(F)cc(F)c1 ZINC001169119559 1129700889 /nfs/dbraw/zinc/70/08/89/1129700889.db2.gz ULAMKJLVFQTSDV-WCXIOVBPSA-N 2 1 294.389 3.631 20 0 CHADMP Cc1cccc([C@@H]2CCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169125879 1129701396 /nfs/dbraw/zinc/70/13/96/1129701396.db2.gz MVVPXUCUUYNIJJ-RDGPPVDQSA-N 2 1 284.447 3.757 20 0 CHADMP Cc1cccc([C@@H]2CCC[N@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169125879 1129701399 /nfs/dbraw/zinc/70/13/99/1129701399.db2.gz MVVPXUCUUYNIJJ-RDGPPVDQSA-N 2 1 284.447 3.757 20 0 CHADMP Cc1cccc([C@@H]2CCC[N@@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169125879 1129701402 /nfs/dbraw/zinc/70/14/02/1129701402.db2.gz MVVPXUCUUYNIJJ-RDGPPVDQSA-N 2 1 284.447 3.757 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(Cc3ccccc3)CC1)C2 ZINC001169124962 1129701871 /nfs/dbraw/zinc/70/18/71/1129701871.db2.gz USVXZINHDNZBQI-PMOLBWCYSA-N 2 1 298.474 3.566 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC001169108702 1129703343 /nfs/dbraw/zinc/70/33/43/1129703343.db2.gz VSGGDTCTRYRHBB-QCEMKRCNSA-N 2 1 292.854 3.924 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H]1c1cccc(F)c1)C2 ZINC001169142440 1129704300 /nfs/dbraw/zinc/70/43/00/1129704300.db2.gz USYUIFQTQFKZET-MHORFTMASA-N 2 1 288.410 3.588 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H]1c1cccc(F)c1)C2 ZINC001169142440 1129704302 /nfs/dbraw/zinc/70/43/02/1129704302.db2.gz USYUIFQTQFKZET-MHORFTMASA-N 2 1 288.410 3.588 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@H]1c1cccc(F)c1)C2 ZINC001169142440 1129704304 /nfs/dbraw/zinc/70/43/04/1129704304.db2.gz USYUIFQTQFKZET-MHORFTMASA-N 2 1 288.410 3.588 20 0 CHADMP CC[N@@H+](Cc1ccc(C)c(C)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169152768 1129705004 /nfs/dbraw/zinc/70/50/04/1129705004.db2.gz DIOOHTMPGXHYKJ-REPLKXPHSA-N 2 1 286.463 3.751 20 0 CHADMP CC[NH+](Cc1ccc(C)c(C)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169152768 1129705008 /nfs/dbraw/zinc/70/50/08/1129705008.db2.gz DIOOHTMPGXHYKJ-REPLKXPHSA-N 2 1 286.463 3.751 20 0 CHADMP CC[NH+](Cc1ccc(C)c(C)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169152768 1129705009 /nfs/dbraw/zinc/70/50/09/1129705009.db2.gz DIOOHTMPGXHYKJ-REPLKXPHSA-N 2 1 286.463 3.751 20 0 CHADMP Cc1cc[nH+]c(C)c1N[C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169150072 1129705286 /nfs/dbraw/zinc/70/52/86/1129705286.db2.gz AQFILPAEIKYAOQ-WMLDXEAASA-N 2 1 275.440 3.654 20 0 CHADMP CC1(C)C[C@@H](Nc2ccc(C3CC3)c[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001169150384 1129705593 /nfs/dbraw/zinc/70/55/93/1129705593.db2.gz CDAXNJKDEMKHEF-QAPCUYQASA-N 2 1 287.451 3.915 20 0 CHADMP CC1(C)C[C@@H](Nc2ccc3[nH]c[nH+]c3c2)C[C@@](C)(C[NH3+])C1 ZINC001169152779 1129705605 /nfs/dbraw/zinc/70/56/05/1129705605.db2.gz QLDAUNXPDCTHNF-CXAGYDPISA-N 2 1 286.423 3.519 20 0 CHADMP CCCC[C@H](CCC)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001258766334 1129706386 /nfs/dbraw/zinc/70/63/86/1129706386.db2.gz JKIFWPFEGUDLGV-INIZCTEOSA-N 2 1 266.473 3.763 20 0 CHADMP CCN1CCC([N@@H+](Cc2ccccc2)C(C)(C)C)CC1 ZINC001169244142 1129712269 /nfs/dbraw/zinc/71/22/69/1129712269.db2.gz CXBUTAGLJLRQDS-UHFFFAOYSA-N 2 1 274.452 3.771 20 0 CHADMP CC[NH+]1CCC([N@H+](Cc2ccccc2)C(C)(C)C)CC1 ZINC001169244142 1129712272 /nfs/dbraw/zinc/71/22/72/1129712272.db2.gz CXBUTAGLJLRQDS-UHFFFAOYSA-N 2 1 274.452 3.771 20 0 CHADMP CC[NH+]1CCC([N@@H+](Cc2ccccc2)C(C)(C)C)CC1 ZINC001169244142 1129712275 /nfs/dbraw/zinc/71/22/75/1129712275.db2.gz CXBUTAGLJLRQDS-UHFFFAOYSA-N 2 1 274.452 3.771 20 0 CHADMP CCN1CCC([N@H+]2CCC[C@H]2c2cccc(C)c2)CC1 ZINC001169246687 1129712281 /nfs/dbraw/zinc/71/22/81/1129712281.db2.gz UYABBSXIOVRVJD-SFHVURJKSA-N 2 1 272.436 3.616 20 0 CHADMP CC[NH+]1CCC([N@@H+]2CCC[C@H]2c2cccc(C)c2)CC1 ZINC001169246687 1129712284 /nfs/dbraw/zinc/71/22/84/1129712284.db2.gz UYABBSXIOVRVJD-SFHVURJKSA-N 2 1 272.436 3.616 20 0 CHADMP CC[NH+]1CCC([N@H+]2CCC[C@H]2c2cccc(C)c2)CC1 ZINC001169246687 1129712285 /nfs/dbraw/zinc/71/22/85/1129712285.db2.gz UYABBSXIOVRVJD-SFHVURJKSA-N 2 1 272.436 3.616 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](CC2CCC2)c2ccccc2)CC1 ZINC001169241174 1129712549 /nfs/dbraw/zinc/71/25/49/1129712549.db2.gz IXIQCBHZLOEDIP-LJQANCHMSA-N 2 1 286.463 3.992 20 0 CHADMP Cc1ccccc1C1([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000651975092 1129754746 /nfs/dbraw/zinc/75/47/46/1129754746.db2.gz ZIWAYNZHOYFWTE-SJORKVTESA-N 2 1 284.447 3.591 20 0 CHADMP Cc1ccc2cc[nH+]c(NCC[C@@H]3CCC[N@@H+](C)C3)c2c1 ZINC001156379290 1129757794 /nfs/dbraw/zinc/75/77/94/1129757794.db2.gz SUNHHGWXGVHGPU-HNNXBMFYSA-N 2 1 283.419 3.687 20 0 CHADMP Cc1ccc2cc[nH+]c(NCC[C@@H]3CCC[N@H+](C)C3)c2c1 ZINC001156379290 1129757795 /nfs/dbraw/zinc/75/77/95/1129757795.db2.gz SUNHHGWXGVHGPU-HNNXBMFYSA-N 2 1 283.419 3.687 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(CC(C)C)CC1 ZINC000767414257 1129791474 /nfs/dbraw/zinc/79/14/74/1129791474.db2.gz HSDSDKZHUBWBNJ-UHFFFAOYSA-N 2 1 277.456 3.730 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC(C)(C)CC2)C1 ZINC000086906400 1129818814 /nfs/dbraw/zinc/81/88/14/1129818814.db2.gz SJCZIOIATQCFKV-HZPDHXFCSA-N 2 1 266.473 3.665 20 0 CHADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000086907821 1129826622 /nfs/dbraw/zinc/82/66/22/1129826622.db2.gz LJKZRCOUYOIWBA-HUUCEWRRSA-N 2 1 254.462 3.665 20 0 CHADMP C[N@H+](CC[NH2+][C@H]1CCCC(C)(C)CC1)C1CCCC1 ZINC000086909035 1129829792 /nfs/dbraw/zinc/82/97/92/1129829792.db2.gz DUFQOYCJQGKRSZ-HNNXBMFYSA-N 2 1 266.473 3.809 20 0 CHADMP C[N@@H+](CC[NH2+][C@H]1CCCC(C)(C)CC1)C1CCCC1 ZINC000086909035 1129829797 /nfs/dbraw/zinc/82/97/97/1129829797.db2.gz DUFQOYCJQGKRSZ-HNNXBMFYSA-N 2 1 266.473 3.809 20 0 CHADMP CC[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000380945868 1129833022 /nfs/dbraw/zinc/83/30/22/1129833022.db2.gz OTQCEKGMVOHSHH-OALUTQOASA-N 2 1 288.479 3.923 20 0 CHADMP CC(C)C[C@@H](C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768542802 1129862303 /nfs/dbraw/zinc/86/23/03/1129862303.db2.gz HNAXMJXFPSRCAB-OAHLLOKOSA-N 2 1 262.441 3.615 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCSC(C)(C)C ZINC000801951224 1129963522 /nfs/dbraw/zinc/96/35/22/1129963522.db2.gz SNUCSURFPNEMKU-UHFFFAOYSA-N 2 1 297.512 3.689 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCSC(C)(C)C ZINC000801951224 1129963524 /nfs/dbraw/zinc/96/35/24/1129963524.db2.gz SNUCSURFPNEMKU-UHFFFAOYSA-N 2 1 297.512 3.689 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[C@H]1C ZINC000903055830 1130105914 /nfs/dbraw/zinc/10/59/14/1130105914.db2.gz MGNIUHYUTWHKFO-IFORVRASSA-N 2 1 276.468 3.559 20 0 CHADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903078874 1130109589 /nfs/dbraw/zinc/10/95/89/1130109589.db2.gz JSMQKLUIPYJDPB-VGWXVEKNSA-N 2 1 276.468 3.559 20 0 CHADMP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccn1 ZINC000903089797 1130110592 /nfs/dbraw/zinc/11/05/92/1130110592.db2.gz SNHFSBASDHDANZ-KTWXZFIHSA-N 2 1 299.462 3.670 20 0 CHADMP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccn1 ZINC000903089797 1130110596 /nfs/dbraw/zinc/11/05/96/1130110596.db2.gz SNHFSBASDHDANZ-KTWXZFIHSA-N 2 1 299.462 3.670 20 0 CHADMP Cc1ccc([C@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903098699 1130111488 /nfs/dbraw/zinc/11/14/88/1130111488.db2.gz SLNSGEGFLYOWBQ-XIHRNRATSA-N 2 1 298.474 3.846 20 0 CHADMP CC(C)[NH+](CCC[NH2+][C@H](c1ccccn1)C1CC1)C(C)C ZINC000903103832 1130112671 /nfs/dbraw/zinc/11/26/71/1130112671.db2.gz AQJHTHLCJBJROA-SFHVURJKSA-N 2 1 289.467 3.631 20 0 CHADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CC[C@H]3CCC[C@@H]3C1)C2 ZINC000903104105 1130113316 /nfs/dbraw/zinc/11/33/16/1130113316.db2.gz QGFFCESLXQBAFJ-ZMGSFGHVSA-N 2 1 288.479 3.703 20 0 CHADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[C@H]3CCC[C@H]3C1)C2 ZINC000903104103 1130113747 /nfs/dbraw/zinc/11/37/47/1130113747.db2.gz QGFFCESLXQBAFJ-QXMPCMEYSA-N 2 1 288.479 3.703 20 0 CHADMP c1oc2ccccc2c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903119059 1130115732 /nfs/dbraw/zinc/11/57/32/1130115732.db2.gz JZTDMWFYSNOBLU-ZXFUBFMLSA-N 2 1 296.414 3.680 20 0 CHADMP C[C@@H](CC1CCCC1)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903378061 1130168044 /nfs/dbraw/zinc/16/80/44/1130168044.db2.gz BCNOXBOCVBYSOY-MAUKXSAKSA-N 2 1 289.467 3.633 20 0 CHADMP Cc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)s1 ZINC001204033533 1130206827 /nfs/dbraw/zinc/20/68/27/1130206827.db2.gz FTUUJSPYOYPDNC-HOTGVXAUSA-N 2 1 292.492 3.895 20 0 CHADMP Cc1ccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)s1 ZINC001204033533 1130206833 /nfs/dbraw/zinc/20/68/33/1130206833.db2.gz FTUUJSPYOYPDNC-HOTGVXAUSA-N 2 1 292.492 3.895 20 0 CHADMP Cc1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)s1 ZINC001204033533 1130206837 /nfs/dbraw/zinc/20/68/37/1130206837.db2.gz FTUUJSPYOYPDNC-HOTGVXAUSA-N 2 1 292.492 3.895 20 0 CHADMP Cc1cc(F)cc(Cl)c1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206573234 1130253502 /nfs/dbraw/zinc/25/35/02/1130253502.db2.gz KLYDBHBHLRQKAE-INIZCTEOSA-N 2 1 298.833 3.738 20 0 CHADMP Cc1cc(F)cc(Cl)c1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206573234 1130253509 /nfs/dbraw/zinc/25/35/09/1130253509.db2.gz KLYDBHBHLRQKAE-INIZCTEOSA-N 2 1 298.833 3.738 20 0 CHADMP CCC(CC)[N@@H+]([C@@H]1CC[C@H](C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170116750 1130274120 /nfs/dbraw/zinc/27/41/20/1130274120.db2.gz GCSJHEWGAWBKLU-NXNVCVFFSA-N 2 1 266.473 3.936 20 0 CHADMP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccnc(Cl)c1 ZINC000790748374 1130328544 /nfs/dbraw/zinc/32/85/44/1130328544.db2.gz MZMKWHJZHYVBSY-ZDUSSCGKSA-N 2 1 295.858 3.508 20 0 CHADMP CC(C)[NH2+]C1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC000678226152 1130373904 /nfs/dbraw/zinc/37/39/04/1130373904.db2.gz NRSOAUMJFUQRIE-UHFFFAOYSA-N 2 1 272.436 3.526 20 0 CHADMP CC[N@H+]1CC[C@H](N(C)Cc2nccc3ccccc32)C[C@@H]1C ZINC000678277350 1130388901 /nfs/dbraw/zinc/38/89/01/1130388901.db2.gz SSYVBSDOHUPUDJ-RDJZCZTQSA-N 2 1 297.446 3.539 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nccc3ccccc32)C[C@@H]1C ZINC000678277350 1130388905 /nfs/dbraw/zinc/38/89/05/1130388905.db2.gz SSYVBSDOHUPUDJ-RDJZCZTQSA-N 2 1 297.446 3.539 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2nccc3ccccc32)C[C@@H]1C ZINC000678277350 1130388910 /nfs/dbraw/zinc/38/89/10/1130388910.db2.gz SSYVBSDOHUPUDJ-RDJZCZTQSA-N 2 1 297.446 3.539 20 0 CHADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1nccc2ccccc21 ZINC000678279203 1130389345 /nfs/dbraw/zinc/38/93/45/1130389345.db2.gz MLPHOEXOVNXTDF-KRWDZBQOSA-N 2 1 297.446 3.541 20 0 CHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1nccc2ccccc21 ZINC000678279203 1130389354 /nfs/dbraw/zinc/38/93/54/1130389354.db2.gz MLPHOEXOVNXTDF-KRWDZBQOSA-N 2 1 297.446 3.541 20 0 CHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1nccc2ccccc21 ZINC000678279203 1130389359 /nfs/dbraw/zinc/38/93/59/1130389359.db2.gz MLPHOEXOVNXTDF-KRWDZBQOSA-N 2 1 297.446 3.541 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1nccc2ccccc21 ZINC000678279203 1130389365 /nfs/dbraw/zinc/38/93/65/1130389365.db2.gz MLPHOEXOVNXTDF-KRWDZBQOSA-N 2 1 297.446 3.541 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1nccc2ccccc21 ZINC000678279203 1130389373 /nfs/dbraw/zinc/38/93/73/1130389373.db2.gz MLPHOEXOVNXTDF-KRWDZBQOSA-N 2 1 297.446 3.541 20 0 CHADMP CC(C)[N@H+](Cc1ccc(Cl)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC001206579915 1130488410 /nfs/dbraw/zinc/48/84/10/1130488410.db2.gz AVAIXRHDFRGVER-OAHLLOKOSA-N 2 1 298.833 3.832 20 0 CHADMP CC(C)[N@@H+](Cc1ccc(Cl)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC001206579915 1130488412 /nfs/dbraw/zinc/48/84/12/1130488412.db2.gz AVAIXRHDFRGVER-OAHLLOKOSA-N 2 1 298.833 3.832 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3cnccc32)C[C@@H]1C ZINC000679990550 1130567416 /nfs/dbraw/zinc/56/74/16/1130567416.db2.gz VEPYPQYFZSTHCC-YJBOKZPZSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3cnccc32)C[C@@H]1C ZINC000679990550 1130567418 /nfs/dbraw/zinc/56/74/18/1130567418.db2.gz VEPYPQYFZSTHCC-YJBOKZPZSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3cnccc32)C[C@@H]1C ZINC000679990550 1130567423 /nfs/dbraw/zinc/56/74/23/1130567423.db2.gz VEPYPQYFZSTHCC-YJBOKZPZSA-N 2 1 297.446 3.539 20 0 CHADMP Cc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc(C)c1Cl ZINC001234997391 1130700207 /nfs/dbraw/zinc/70/02/07/1130700207.db2.gz BVVFZDAKHUMWFL-QGZVFWFLSA-N 2 1 292.854 3.532 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc(C)c1Cl ZINC001234997391 1130700212 /nfs/dbraw/zinc/70/02/12/1130700212.db2.gz BVVFZDAKHUMWFL-QGZVFWFLSA-N 2 1 292.854 3.532 20 0 CHADMP CC(C)=CCCC1=CC[C@@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001234980551 1130701648 /nfs/dbraw/zinc/70/16/48/1130701648.db2.gz ZGCCOFPMQDOXCA-QRVBRYPASA-N 2 1 288.479 3.611 20 0 CHADMP c1cc(C2CCC2)ccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001235002869 1130703532 /nfs/dbraw/zinc/70/35/32/1130703532.db2.gz YERSNNAIFDBHPU-LJQANCHMSA-N 2 1 284.447 3.530 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c(C)c1 ZINC001235040302 1130704065 /nfs/dbraw/zinc/70/40/65/1130704065.db2.gz KJCBWQHAZAMDBG-IBGZPJMESA-N 2 1 286.463 3.720 20 0 CHADMP CCCC[C@H](CC)C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235037163 1130704102 /nfs/dbraw/zinc/70/41/02/1130704102.db2.gz CRFLONOKLKSZBJ-DLBZAZTESA-N 2 1 266.473 3.811 20 0 CHADMP c1cc2cccc(C[N@H+]3CCC[C@]4(CCC[NH2+]4)CC3)c2o1 ZINC001235040998 1130704706 /nfs/dbraw/zinc/70/47/06/1130704706.db2.gz WBRPXHKMKZMAJW-GOSISDBHSA-N 2 1 284.403 3.541 20 0 CHADMP CC(C)c1cccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235040013 1130705698 /nfs/dbraw/zinc/70/56/98/1130705698.db2.gz PWQHBVXZTBWACB-IBGZPJMESA-N 2 1 286.463 3.918 20 0 CHADMP Cc1cc(F)cc(C)c1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235038382 1130705828 /nfs/dbraw/zinc/70/58/28/1130705828.db2.gz IYIMADSRNCFDSN-GOSISDBHSA-N 2 1 290.426 3.551 20 0 CHADMP CSc1ccccc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235040475 1130705903 /nfs/dbraw/zinc/70/59/03/1130705903.db2.gz SQAZYKLOWUTFNR-QGZVFWFLSA-N 2 1 290.476 3.517 20 0 CHADMP c1ccc(-c2ccccc2C[N@H+]2CCC23CC[NH2+]CC3)cc1 ZINC001235103713 1130711489 /nfs/dbraw/zinc/71/14/89/1130711489.db2.gz WMEAONPECITLIF-UHFFFAOYSA-N 2 1 292.426 3.682 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235111725 1130711661 /nfs/dbraw/zinc/71/16/61/1130711661.db2.gz STNJFIWEYBDLAO-SJORKVTESA-N 2 1 264.457 3.587 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235120334 1130713019 /nfs/dbraw/zinc/71/30/19/1130713019.db2.gz NOEPLRLZKWUGPT-HXUWFJFHSA-N 2 1 294.442 3.866 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235120334 1130713022 /nfs/dbraw/zinc/71/30/22/1130713022.db2.gz NOEPLRLZKWUGPT-HXUWFJFHSA-N 2 1 294.442 3.866 20 0 CHADMP Cc1[nH]c2ccccc2c1C[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235175931 1130719593 /nfs/dbraw/zinc/71/95/93/1130719593.db2.gz YFLLAMYOKMXVSL-IBGZPJMESA-N 2 1 297.446 3.584 20 0 CHADMP Cc1[nH]c2ccccc2c1C[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235175931 1130719598 /nfs/dbraw/zinc/71/95/98/1130719598.db2.gz YFLLAMYOKMXVSL-IBGZPJMESA-N 2 1 297.446 3.584 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235253687 1130728107 /nfs/dbraw/zinc/72/81/07/1130728107.db2.gz DETLZFGQFDBXHY-NMBNSIPYSA-N 2 1 264.457 3.587 20 0 CHADMP Clc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235424839 1130741919 /nfs/dbraw/zinc/74/19/19/1130741919.db2.gz KODAWSSPOXLUDZ-HOTGVXAUSA-N 2 1 292.854 3.552 20 0 CHADMP C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)C1CCCCC1 ZINC001235423566 1130742487 /nfs/dbraw/zinc/74/24/87/1130742487.db2.gz HAOCOYUXDFIGDC-ROUUACIJSA-N 2 1 278.484 3.668 20 0 CHADMP Cc1ccc(C[N@@H+](C)CC2CC[NH2+]CC2)c2ccccc12 ZINC001235432985 1130743575 /nfs/dbraw/zinc/74/35/75/1130743575.db2.gz CIULXJBXSHIBFT-UHFFFAOYSA-N 2 1 282.431 3.580 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235433634 1130743891 /nfs/dbraw/zinc/74/38/91/1130743891.db2.gz MZIRMEFIIPWAHB-INIZCTEOSA-N 2 1 266.473 3.690 20 0 CHADMP C[N@@H+](Cc1ccc(-c2ccc(F)cc2)cc1)C1CC[NH2+]CC1 ZINC001235474462 1130749003 /nfs/dbraw/zinc/74/90/03/1130749003.db2.gz RMSFKHZSVUIBMD-UHFFFAOYSA-N 2 1 298.405 3.677 20 0 CHADMP C[C@H](C1CC1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000782189901 1130759674 /nfs/dbraw/zinc/75/96/74/1130759674.db2.gz JOGMKJQMHAXSCS-LSTHTHJFSA-N 2 1 298.474 3.771 20 0 CHADMP C[C@H](C1CC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000782189901 1130759678 /nfs/dbraw/zinc/75/96/78/1130759678.db2.gz JOGMKJQMHAXSCS-LSTHTHJFSA-N 2 1 298.474 3.771 20 0 CHADMP C[C@H](C1CC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000782189901 1130759683 /nfs/dbraw/zinc/75/96/83/1130759683.db2.gz JOGMKJQMHAXSCS-LSTHTHJFSA-N 2 1 298.474 3.771 20 0 CHADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc3oc4ccccc4c3c2)C1 ZINC001235672405 1130764705 /nfs/dbraw/zinc/76/47/05/1130764705.db2.gz CLMVCFGKADIBDV-OAHLLOKOSA-N 2 1 294.398 3.757 20 0 CHADMP Cc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C[NH3+])cc2)cc1 ZINC001235677269 1130765805 /nfs/dbraw/zinc/76/58/05/1130765805.db2.gz GATWWHZNYISNHN-LJQANCHMSA-N 2 1 280.415 3.791 20 0 CHADMP CCC[C@H]1CCCC[N@H+]1Cc1cc2c(s1)C[NH2+]CC2 ZINC001235694875 1130769474 /nfs/dbraw/zinc/76/94/74/1130769474.db2.gz WWGJPNGISLBJFJ-AWEZNQCLSA-N 2 1 278.465 3.548 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]1c1cc(F)ccc1F ZINC001235712514 1130771233 /nfs/dbraw/zinc/77/12/33/1130771233.db2.gz BLAXWPZZXZMHBA-MRXNPFEDSA-N 2 1 282.378 3.621 20 0 CHADMP Cc1c(Cl)ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)c1C ZINC001235717013 1130772281 /nfs/dbraw/zinc/77/22/81/1130772281.db2.gz BHRKCQGJCGUANC-UHFFFAOYSA-N 2 1 294.870 3.778 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3C[NH3+])cc2)cc1 ZINC001235725523 1130773009 /nfs/dbraw/zinc/77/30/09/1130773009.db2.gz QQGDGTBGWHVFHR-IBGZPJMESA-N 2 1 280.415 3.585 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CCC[C@H]3C[NH3+])cc2)cc1 ZINC001235725523 1130773012 /nfs/dbraw/zinc/77/30/12/1130773012.db2.gz QQGDGTBGWHVFHR-IBGZPJMESA-N 2 1 280.415 3.585 20 0 CHADMP CC[NH2+]C1CC[NH+](Cc2cccc3c(F)cccc23)CC1 ZINC001235726978 1130773401 /nfs/dbraw/zinc/77/34/01/1130773401.db2.gz UCMVWCCNNHBDJZ-UHFFFAOYSA-N 2 1 286.394 3.553 20 0 CHADMP CC[N@@H+](Cc1c(C)c(C)c(C)c(C)c1C)C1CC[NH2+]CC1 ZINC001235760684 1130776916 /nfs/dbraw/zinc/77/69/16/1130776916.db2.gz HOVQSNIIHHKLFV-UHFFFAOYSA-N 2 1 288.479 3.803 20 0 CHADMP CCCCCCc1csc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC001235751394 1130777279 /nfs/dbraw/zinc/77/72/79/1130777279.db2.gz XWOAETFVYKPIRL-HNNXBMFYSA-N 2 1 280.481 3.652 20 0 CHADMP Clc1ccccc1[C@@H]1CC[N@@H+](CC[C@@H]2CCCC[NH2+]2)C1 ZINC001235824986 1130784002 /nfs/dbraw/zinc/78/40/02/1130784002.db2.gz FASMPQOKJBDXEY-CABCVRRESA-N 2 1 292.854 3.662 20 0 CHADMP CC1(C[N@H+]2CCC[C@H]2c2ccc(Cl)s2)CC[NH2+]CC1 ZINC001235839898 1130786696 /nfs/dbraw/zinc/78/66/96/1130786696.db2.gz ZPFGYQUZFBWHRV-LBPRGKRZSA-N 2 1 298.883 3.928 20 0 CHADMP C[N@H+](Cc1ccc(C2CCCCC2)cc1)C[C@H]1CC[NH2+]C1 ZINC001235840466 1130786980 /nfs/dbraw/zinc/78/69/80/1130786980.db2.gz MEYBTMMFHVEHEY-KRWDZBQOSA-N 2 1 286.463 3.776 20 0 CHADMP C[N@H+](Cc1ccc(-c2cccs2)s1)C[C@H]1CC[NH2+]C1 ZINC001235843619 1130787585 /nfs/dbraw/zinc/78/75/85/1130787585.db2.gz ZUYOOGUSIGLACL-LBPRGKRZSA-N 2 1 292.473 3.518 20 0 CHADMP c1c(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)sc2c1CC[NH2+]C2 ZINC001235867422 1130790397 /nfs/dbraw/zinc/79/03/97/1130790397.db2.gz PTUDPGUPCQQUHH-BBRMVZONSA-N 2 1 290.476 3.548 20 0 CHADMP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC001235892474 1130794863 /nfs/dbraw/zinc/79/48/63/1130794863.db2.gz RITUMEBVEZIIJZ-KXBFYZLASA-N 2 1 280.415 3.665 20 0 CHADMP C[C@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC001235892474 1130794870 /nfs/dbraw/zinc/79/48/70/1130794870.db2.gz RITUMEBVEZIIJZ-KXBFYZLASA-N 2 1 280.415 3.665 20 0 CHADMP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001235907973 1130803245 /nfs/dbraw/zinc/80/32/45/1130803245.db2.gz VRKXCWGMSKFAQU-KSSFIOAISA-N 2 1 298.405 3.804 20 0 CHADMP C[C@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001235907973 1130803248 /nfs/dbraw/zinc/80/32/48/1130803248.db2.gz VRKXCWGMSKFAQU-KSSFIOAISA-N 2 1 298.405 3.804 20 0 CHADMP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001235907972 1130803335 /nfs/dbraw/zinc/80/33/35/1130803335.db2.gz VRKXCWGMSKFAQU-KDOFPFPSSA-N 2 1 298.405 3.804 20 0 CHADMP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001235907972 1130803338 /nfs/dbraw/zinc/80/33/38/1130803338.db2.gz VRKXCWGMSKFAQU-KDOFPFPSSA-N 2 1 298.405 3.804 20 0 CHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[C@H]2C)CC1 ZINC000783247672 1130806034 /nfs/dbraw/zinc/80/60/34/1130806034.db2.gz YUBJYFWRTBKTAQ-RKVPGOIHSA-N 2 1 272.436 3.600 20 0 CHADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001235924993 1130806724 /nfs/dbraw/zinc/80/67/24/1130806724.db2.gz DYEOSKMWMDANMK-IBGZPJMESA-N 2 1 298.405 3.806 20 0 CHADMP Clc1ccc([C@@H]2CC[N@@H+](CC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001235946725 1130812233 /nfs/dbraw/zinc/81/22/33/1130812233.db2.gz AGFBJVVVIJPTNZ-WBVHZDCISA-N 2 1 292.854 3.662 20 0 CHADMP CC(C)c1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])ccc1Cl ZINC001235958578 1130816137 /nfs/dbraw/zinc/81/61/37/1130816137.db2.gz LIEBGBKBJMUFJO-XOIINTDNSA-N 2 1 292.854 3.633 20 0 CHADMP CC(C)c1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])ccc1Cl ZINC001235958578 1130816140 /nfs/dbraw/zinc/81/61/40/1130816140.db2.gz LIEBGBKBJMUFJO-XOIINTDNSA-N 2 1 292.854 3.633 20 0 CHADMP C[C@H]1C[C@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000814173050 1130832888 /nfs/dbraw/zinc/83/28/88/1130832888.db2.gz HFFCJWOIHJGZHJ-VJAOCGABSA-N 2 1 298.474 3.818 20 0 CHADMP C[C@H]1C[C@H]([NH3+])C[N@H+](Cc2c3ccccc3[nH]c2C(C)(C)C)C1 ZINC001236047180 1130836995 /nfs/dbraw/zinc/83/69/95/1130836995.db2.gz LDPSJURSMXUQDK-KBPBESRZSA-N 2 1 299.462 3.635 20 0 CHADMP C[C@H]1C[C@H]([NH3+])C[N@@H+](Cc2c3ccccc3[nH]c2C(C)(C)C)C1 ZINC001236047180 1130837001 /nfs/dbraw/zinc/83/70/01/1130837001.db2.gz LDPSJURSMXUQDK-KBPBESRZSA-N 2 1 299.462 3.635 20 0 CHADMP CCCCCCc1csc(C[N@H+]2CC[C@H](C[NH2+]C)C2)c1 ZINC001236067818 1130845212 /nfs/dbraw/zinc/84/52/12/1130845212.db2.gz QAVWKVZFNCQFTJ-MRXNPFEDSA-N 2 1 294.508 3.912 20 0 CHADMP CCCCCCc1csc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)c1 ZINC001236067815 1130846298 /nfs/dbraw/zinc/84/62/98/1130846298.db2.gz QAVWKVZFNCQFTJ-INIZCTEOSA-N 2 1 294.508 3.912 20 0 CHADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(-c3cccc(C4CC4)c3)cn12 ZINC001236085028 1130854501 /nfs/dbraw/zinc/85/45/01/1130854501.db2.gz PZQBSTPIDMMNHH-UHFFFAOYSA-N 2 1 289.382 3.566 20 0 CHADMP C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3)s2)CCC[NH2+]1 ZINC001236094432 1130857918 /nfs/dbraw/zinc/85/79/18/1130857918.db2.gz FDXXOTCJCKLCGU-AWEZNQCLSA-N 2 1 286.444 3.599 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)s2)CCC[NH2+]1 ZINC001236094432 1130857924 /nfs/dbraw/zinc/85/79/24/1130857924.db2.gz FDXXOTCJCKLCGU-AWEZNQCLSA-N 2 1 286.444 3.599 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3CCC[NH2+][C@@H](C)C3)cc2)cc1 ZINC001236095412 1130859196 /nfs/dbraw/zinc/85/91/96/1130859196.db2.gz TUEYWEXIASAKQJ-KRWDZBQOSA-N 2 1 294.442 3.846 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CCC[NH2+][C@@H](C)C3)cc2)cc1 ZINC001236095412 1130859199 /nfs/dbraw/zinc/85/91/99/1130859199.db2.gz TUEYWEXIASAKQJ-KRWDZBQOSA-N 2 1 294.442 3.846 20 0 CHADMP C[C@H]1C[N@H+](Cc2ccc3oc4ccccc4c3c2)CCC[NH2+]1 ZINC001236094849 1130859694 /nfs/dbraw/zinc/85/96/94/1130859694.db2.gz KNCMXKPAAMARLJ-AWEZNQCLSA-N 2 1 294.398 3.770 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccc3oc4ccccc4c3c2)CCC[NH2+]1 ZINC001236094849 1130859700 /nfs/dbraw/zinc/85/97/00/1130859700.db2.gz KNCMXKPAAMARLJ-AWEZNQCLSA-N 2 1 294.398 3.770 20 0 CHADMP CCC[N@@H+](CCC(C)(C)c1ccccc1)C1CC[NH2+]CC1 ZINC001236181126 1130879987 /nfs/dbraw/zinc/87/99/87/1130879987.db2.gz SGWMECCBRXWRCU-UHFFFAOYSA-N 2 1 288.479 3.818 20 0 CHADMP CC/C=C\CCCCC[N@@H+](C)C1CCC([NH2+]C)CC1 ZINC001236213858 1130889528 /nfs/dbraw/zinc/88/95/28/1130889528.db2.gz XKYSPOXLYLJPLJ-WAYWQWQTSA-N 2 1 266.473 3.975 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(C)c(Cl)c(C)c2)CC1 ZINC001236214757 1130890432 /nfs/dbraw/zinc/89/04/32/1130890432.db2.gz GPBVARHGHKMDJX-UHFFFAOYSA-N 2 1 294.870 3.919 20 0 CHADMP CCCc1ccc(C[N@@H+](C)C2CCC([NH2+]C)CC2)cc1 ZINC001236213725 1130891395 /nfs/dbraw/zinc/89/13/95/1130891395.db2.gz TTXDHUWMYKCFPF-UHFFFAOYSA-N 2 1 274.452 3.602 20 0 CHADMP CCSc1ccccc1C[N@@H+](C)C1CCC([NH2+]C)CC1 ZINC001236216757 1130892134 /nfs/dbraw/zinc/89/21/34/1130892134.db2.gz RVCPKVAWGJNJGY-UHFFFAOYSA-N 2 1 292.492 3.761 20 0 CHADMP C[N@H+](Cc1ccc(OC(C)(C)C)cc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219819 1130893977 /nfs/dbraw/zinc/89/39/77/1130893977.db2.gz XUTWRESGGQNTNF-IAGOWNOFSA-N 2 1 290.451 3.566 20 0 CHADMP C[N@@H+](Cc1ccc(OC(C)(C)C)cc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219819 1130893982 /nfs/dbraw/zinc/89/39/82/1130893982.db2.gz XUTWRESGGQNTNF-IAGOWNOFSA-N 2 1 290.451 3.566 20 0 CHADMP C[N@@H+](CCCC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236221067 1130895276 /nfs/dbraw/zinc/89/52/76/1130895276.db2.gz BRHYDTHMTXMLGA-WKILWMFISA-N 2 1 252.446 3.549 20 0 CHADMP C[N@@H+](Cc1cc(Cl)ccc1Cl)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236224750 1130896178 /nfs/dbraw/zinc/89/61/78/1130896178.db2.gz WWDLWGMRTFMENQ-JOCQHMNTSA-N 2 1 287.234 3.695 20 0 CHADMP CC1=CC[C@H](CC[N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)C1(C)C ZINC001236224888 1130896375 /nfs/dbraw/zinc/89/63/75/1130896375.db2.gz YBCXMTVCYWDQKG-BZUAXINKSA-N 2 1 264.457 3.571 20 0 CHADMP Cc1cccc(C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)c1 ZINC001236288465 1130910695 /nfs/dbraw/zinc/91/06/95/1130910695.db2.gz ZVRMXBPYZFNKTB-UHFFFAOYSA-N 2 1 294.442 3.749 20 0 CHADMP C(C[NH2+]C1CCCCC1)C[N@H+]1CCCC2(CCC2)C1 ZINC001236322683 1130914374 /nfs/dbraw/zinc/91/43/74/1130914374.db2.gz RRUQLFMGWCIRSP-UHFFFAOYSA-N 2 1 264.457 3.565 20 0 CHADMP CC[N@H+](Cc1c(C)c(C)c(C)c(C)c1C)C[C@@H]1CC[NH2+]C1 ZINC001236407412 1130931165 /nfs/dbraw/zinc/93/11/65/1130931165.db2.gz FCTKJFPTCVGHPA-GOSISDBHSA-N 2 1 288.479 3.660 20 0 CHADMP CC[N@@H+](CC[C@H](C)CCC=C(C)C)C[C@H]1CC[NH2+]C1 ZINC001236407946 1130931659 /nfs/dbraw/zinc/93/16/59/1130931659.db2.gz JRKVCOFXYYMFEN-SJORKVTESA-N 2 1 266.473 3.690 20 0 CHADMP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1cccc2c3ccccc3oc21 ZINC001236419414 1130934706 /nfs/dbraw/zinc/93/47/06/1130934706.db2.gz INSOLOLECCMIBI-SUMWQHHRSA-N 2 1 294.398 3.898 20 0 CHADMP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1cccc2c3ccccc3oc21 ZINC001236419414 1130934711 /nfs/dbraw/zinc/93/47/11/1130934711.db2.gz INSOLOLECCMIBI-SUMWQHHRSA-N 2 1 294.398 3.898 20 0 CHADMP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001236421927 1130936443 /nfs/dbraw/zinc/93/64/43/1130936443.db2.gz UNOXNOUNLKXOCL-BBRMVZONSA-N 2 1 299.462 3.777 20 0 CHADMP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001236421927 1130936447 /nfs/dbraw/zinc/93/64/47/1130936447.db2.gz UNOXNOUNLKXOCL-BBRMVZONSA-N 2 1 299.462 3.777 20 0 CHADMP Cc1cc(C)cc([C@@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)c1 ZINC001236427900 1130939064 /nfs/dbraw/zinc/93/90/64/1130939064.db2.gz BHUQPEAUPNBOIM-IBGZPJMESA-N 2 1 286.463 3.830 20 0 CHADMP Cc1cc(C)cc([C@@H]2CCC[N@H+]2CC2(C)CC[NH2+]CC2)c1 ZINC001236428901 1130939599 /nfs/dbraw/zinc/93/95/99/1130939599.db2.gz QHWFQEJWCWXPLE-SFHVURJKSA-N 2 1 286.463 3.830 20 0 CHADMP [NH3+]CCCCCC[N@@H+](Cc1ccccc1)C1CCC1 ZINC001236439999 1130941972 /nfs/dbraw/zinc/94/19/72/1130941972.db2.gz CQLCBRURPOXSEO-UHFFFAOYSA-N 2 1 260.425 3.560 20 0 CHADMP C[C@@H]1C[C@H]1C[N@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001236449915 1130945579 /nfs/dbraw/zinc/94/55/79/1130945579.db2.gz DVTGFGNIUJDXAB-HIFRSBDPSA-N 2 1 292.854 3.550 20 0 CHADMP C[C@@H]1C[C@H]1C[N@@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001236449915 1130945585 /nfs/dbraw/zinc/94/55/85/1130945585.db2.gz DVTGFGNIUJDXAB-HIFRSBDPSA-N 2 1 292.854 3.550 20 0 CHADMP Cc1c(F)cccc1C[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236458197 1130946222 /nfs/dbraw/zinc/94/62/22/1130946222.db2.gz SKKBXPKXTFCAFS-UHFFFAOYSA-N 2 1 292.442 3.734 20 0 CHADMP CC(C)(C)C[N@H+](Cc1cc(F)ccc1F)C1CC[NH2+]CC1 ZINC001236456274 1130947366 /nfs/dbraw/zinc/94/73/66/1130947366.db2.gz AWJSJSADCGWLQN-UHFFFAOYSA-N 2 1 296.405 3.565 20 0 CHADMP CC(C)(C)C[N@@H+](Cc1cc(F)ccc1F)C1CC[NH2+]CC1 ZINC001236456274 1130947369 /nfs/dbraw/zinc/94/73/69/1130947369.db2.gz AWJSJSADCGWLQN-UHFFFAOYSA-N 2 1 296.405 3.565 20 0 CHADMP Cc1cccc(C[N@@H+](CC[C@@H]2CCCC[NH2+]2)C2CC2)c1C ZINC001236534149 1130967700 /nfs/dbraw/zinc/96/77/00/1130967700.db2.gz IKDGXJHINPGVOX-SFHVURJKSA-N 2 1 286.463 3.800 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2)CC2CCC2)CC1 ZINC001236541935 1130969234 /nfs/dbraw/zinc/96/92/34/1130969234.db2.gz PVYHEMHCQRXCOZ-IYARVYRRSA-N 2 1 290.426 3.698 20 0 CHADMP Cc1cccc(C[N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1F ZINC001236549854 1130972995 /nfs/dbraw/zinc/97/29/95/1130972995.db2.gz DMBFVCVNTRETRK-QAQDUYKDSA-N 2 1 292.442 3.862 20 0 CHADMP CC1=C[C@H](C)[C@@H](C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001236550758 1130973715 /nfs/dbraw/zinc/97/37/15/1130973715.db2.gz GXPASSPIWZRITQ-NQYYFHDYSA-N 2 1 290.495 3.961 20 0 CHADMP Cc1ccccc1C[N@H+](C[C@@H]1C[C@@H]1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236556557 1130974551 /nfs/dbraw/zinc/97/45/51/1130974551.db2.gz WPADSGHFOFEPHB-WNHJNPCNSA-N 2 1 286.463 3.723 20 0 CHADMP CCC[C@H](C)C[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236571422 1130978633 /nfs/dbraw/zinc/97/86/33/1130978633.db2.gz CPMHOTBLUYTYPI-DZKIICNBSA-N 2 1 252.446 3.547 20 0 CHADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC001236605868 1130983692 /nfs/dbraw/zinc/98/36/92/1130983692.db2.gz WGZYPANCYSAAFJ-IBGZPJMESA-N 2 1 294.398 3.757 20 0 CHADMP Cc1c(C[N@H+]2CC[C@](C)(C[NH3+])C2)cccc1-c1ccccc1 ZINC001236616482 1130984878 /nfs/dbraw/zinc/98/48/78/1130984878.db2.gz NUMPTQLWRADNPI-HXUWFJFHSA-N 2 1 294.442 3.833 20 0 CHADMP CC(C)(C)C[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236742777 1131002973 /nfs/dbraw/zinc/00/29/73/1131002973.db2.gz RQEQJZNLFLOVRT-QAQDUYKDSA-N 2 1 292.442 3.944 20 0 CHADMP C[C@@H]1C[C@H]1C[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236741292 1131003078 /nfs/dbraw/zinc/00/30/78/1131003078.db2.gz DHNQZHGIYBUUDF-AETAKHFUSA-N 2 1 290.426 3.554 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc[nH]2)CC2CCCCC2)CC1 ZINC001236756298 1131003836 /nfs/dbraw/zinc/00/38/36/1131003836.db2.gz UHPANRDRICUTDK-SAABIXHNSA-N 2 1 289.467 3.667 20 0 CHADMP CC(C)(C)C[N@@H+](C[C@@H]1C[C@H]2C=C[C@@H]1C2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236767924 1131005030 /nfs/dbraw/zinc/00/50/30/1131005030.db2.gz KNIWBSBMUOOXOO-ADHGMGHFSA-N 2 1 290.495 3.817 20 0 CHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(-c4cccs4)cc3)C[C@H]12 ZINC001236830786 1131017040 /nfs/dbraw/zinc/01/70/40/1131017040.db2.gz OTDSBZLYUFNOCZ-YESZJQIVSA-N 2 1 298.455 3.584 20 0 CHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(C4CCCCC4)cc3)C[C@H]12 ZINC001236833749 1131019366 /nfs/dbraw/zinc/01/93/66/1131019366.db2.gz ZRAWGLMCMORGAV-SLFFLAALSA-N 2 1 298.474 3.903 20 0 CHADMP CCC[N@H+](Cc1ccc(Cl)c(CC)c1)C[C@H]1CC[NH2+]C1 ZINC001236842577 1131021091 /nfs/dbraw/zinc/02/10/91/1131021091.db2.gz FPSDOLPCYKVDQU-HNNXBMFYSA-N 2 1 294.870 3.724 20 0 CHADMP CCC[N@H+](Cc1ccc(C2CCC2)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236843130 1131021269 /nfs/dbraw/zinc/02/12/69/1131021269.db2.gz LBBWIQDZAPNQLF-QGZVFWFLSA-N 2 1 286.463 3.776 20 0 CHADMP CC[C@H]([NH3+])C[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC001236871179 1131027586 /nfs/dbraw/zinc/02/75/86/1131027586.db2.gz YPJKZDPXWXZDKM-KRWDZBQOSA-N 2 1 268.404 3.523 20 0 CHADMP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC001236871179 1131027590 /nfs/dbraw/zinc/02/75/90/1131027590.db2.gz YPJKZDPXWXZDKM-KRWDZBQOSA-N 2 1 268.404 3.523 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC001237056708 1131042054 /nfs/dbraw/zinc/04/20/54/1131042054.db2.gz IXODKLSQEUHSKC-HXUWFJFHSA-N 2 1 294.442 3.914 20 0 CHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC001237056706 1131043746 /nfs/dbraw/zinc/04/37/46/1131043746.db2.gz IXODKLSQEUHSKC-FQEVSTJZSA-N 2 1 294.442 3.914 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@@H+](C[C@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001237055720 1131044117 /nfs/dbraw/zinc/04/41/17/1131044117.db2.gz FHCYFLBRHUPOFM-HYVNUMGLSA-N 2 1 292.854 3.504 20 0 CHADMP C[C@@H](c1cccc(Br)c1)[N@@H+](C)CCCCC[NH3+] ZINC001237057982 1131044224 /nfs/dbraw/zinc/04/42/24/1131044224.db2.gz OSYOPXDUWPDLIQ-LBPRGKRZSA-N 2 1 299.256 3.571 20 0 CHADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2ccccc21 ZINC001237079805 1131047692 /nfs/dbraw/zinc/04/76/92/1131047692.db2.gz BPSDKXPDIJNTPV-DODVFSASSA-N 2 1 280.415 3.542 20 0 CHADMP c1cc(C2CC2)ccc1C[N@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237157269 1131062510 /nfs/dbraw/zinc/06/25/10/1131062510.db2.gz SUBCBMCFLHVHIA-IBGZPJMESA-N 2 1 284.447 3.671 20 0 CHADMP c1cc(C2CC2)ccc1C[N@@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237157269 1131062517 /nfs/dbraw/zinc/06/25/17/1131062517.db2.gz SUBCBMCFLHVHIA-IBGZPJMESA-N 2 1 284.447 3.671 20 0 CHADMP Cc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1C ZINC000798957204 1131065209 /nfs/dbraw/zinc/06/52/09/1131065209.db2.gz OHJQPGOWPYIMOR-UHFFFAOYSA-N 2 1 286.463 3.611 20 0 CHADMP Cc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C)c1 ZINC000798957182 1131065599 /nfs/dbraw/zinc/06/55/99/1131065599.db2.gz XXQLVLLBGIYDPI-UHFFFAOYSA-N 2 1 286.463 3.611 20 0 CHADMP CCC(CC)C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237275128 1131077827 /nfs/dbraw/zinc/07/78/27/1131077827.db2.gz KUUUDIVUDWJUIP-UHFFFAOYSA-N 2 1 286.463 3.560 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237382812 1131095896 /nfs/dbraw/zinc/09/58/96/1131095896.db2.gz NKTATMSKMZDKHQ-OOUWWJCLSA-N 2 1 278.484 3.977 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237408183 1131096200 /nfs/dbraw/zinc/09/62/00/1131096200.db2.gz ZAFWLDFHUKQROJ-FXAWDEMLSA-N 2 1 294.442 3.722 20 0 CHADMP Cc1c(Cl)cccc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC001237737745 1131134620 /nfs/dbraw/zinc/13/46/20/1131134620.db2.gz IMWUFKIFZBJEPL-UHFFFAOYSA-N 2 1 280.843 3.566 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(C)c(C)cc2C)C1 ZINC001116289601 1131138716 /nfs/dbraw/zinc/13/87/16/1131138716.db2.gz XSDCRDUUEDDLFF-ZWKOTPCHSA-N 2 1 288.479 3.994 20 0 CHADMP Cc1sccc1C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001237965675 1131156326 /nfs/dbraw/zinc/15/63/26/1131156326.db2.gz FCOAHNOFYJSANE-UHFFFAOYSA-N 2 1 280.481 3.609 20 0 CHADMP Cc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc(C)c1Cl ZINC001238090494 1131169006 /nfs/dbraw/zinc/16/90/06/1131169006.db2.gz HOSMKBAMLZRDGG-UHFFFAOYSA-N 2 1 294.870 3.730 20 0 CHADMP C[NH+]1CCC2(CCC[N@@H+](CCC3=CCCCC3)C2)CC1 ZINC000829443918 1131419695 /nfs/dbraw/zinc/41/96/95/1131419695.db2.gz KJJSOWIIEKWHPT-UHFFFAOYSA-N 2 1 276.468 3.685 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC3(CCC3)CC2)cc1 ZINC001138544769 1131518528 /nfs/dbraw/zinc/51/85/28/1131518528.db2.gz ONODJPYMHVXEAU-UHFFFAOYSA-N 2 1 295.430 3.947 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC3(CCCC3)C2)cc1 ZINC001138547062 1131518553 /nfs/dbraw/zinc/51/85/53/1131518553.db2.gz DAGTZWZUXNSLET-UHFFFAOYSA-N 2 1 295.430 3.947 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC3(CCCC3)C2)cc1 ZINC001138547062 1131518557 /nfs/dbraw/zinc/51/85/57/1131518557.db2.gz DAGTZWZUXNSLET-UHFFFAOYSA-N 2 1 295.430 3.947 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@H](C)CC2)cc1 ZINC001138544699 1131518748 /nfs/dbraw/zinc/51/87/48/1131518748.db2.gz MYKDCWFZRKLZOW-OAHLLOKOSA-N 2 1 283.419 3.803 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@H](C)CC2)cc1 ZINC001138544699 1131518752 /nfs/dbraw/zinc/51/87/52/1131518752.db2.gz MYKDCWFZRKLZOW-OAHLLOKOSA-N 2 1 283.419 3.803 20 0 CHADMP CC[C@H]1CCCC[N@H+]1Cc1ccc(-n2ccnc2C)cc1 ZINC001138549452 1131519564 /nfs/dbraw/zinc/51/95/64/1131519564.db2.gz WYLIQMDBFRJUJS-KRWDZBQOSA-N 2 1 283.419 3.945 20 0 CHADMP CC[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138549452 1131519569 /nfs/dbraw/zinc/51/95/69/1131519569.db2.gz WYLIQMDBFRJUJS-KRWDZBQOSA-N 2 1 283.419 3.945 20 0 CHADMP CC[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138549452 1131519573 /nfs/dbraw/zinc/51/95/73/1131519573.db2.gz WYLIQMDBFRJUJS-KRWDZBQOSA-N 2 1 283.419 3.945 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCCCC23CC3)cc1 ZINC001138548482 1131519821 /nfs/dbraw/zinc/51/98/21/1131519821.db2.gz FJCLWFGAOMIPJU-UHFFFAOYSA-N 2 1 281.403 3.699 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCCCC23CC3)cc1 ZINC001138548482 1131519822 /nfs/dbraw/zinc/51/98/22/1131519822.db2.gz FJCLWFGAOMIPJU-UHFFFAOYSA-N 2 1 281.403 3.699 20 0 CHADMP Cc1nccn1-c1ccc(C[N@@H+](CC2CC2)C2CC2)cc1 ZINC001138550137 1131520340 /nfs/dbraw/zinc/52/03/40/1131520340.db2.gz KNRMKLHCFYFBMC-UHFFFAOYSA-N 2 1 281.403 3.555 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](CC2CC2)C2CC2)cc1 ZINC001138550137 1131520342 /nfs/dbraw/zinc/52/03/42/1131520342.db2.gz KNRMKLHCFYFBMC-UHFFFAOYSA-N 2 1 281.403 3.555 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](CC2CC2)C2CC2)cc1 ZINC001138550137 1131520345 /nfs/dbraw/zinc/52/03/45/1131520345.db2.gz KNRMKLHCFYFBMC-UHFFFAOYSA-N 2 1 281.403 3.555 20 0 CHADMP Cc1cc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c(C)s1 ZINC001138569552 1131522457 /nfs/dbraw/zinc/52/24/57/1131522457.db2.gz JORFLRKLOWIMFM-UHFFFAOYSA-N 2 1 292.492 3.815 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246547876 1131594576 /nfs/dbraw/zinc/59/45/76/1131594576.db2.gz CZCLZCVNZBHHCH-JYJNAYRXSA-N 2 1 254.462 3.795 20 0 CHADMP C[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(-n3ccnc3)cc2)CC1 ZINC001139364554 1131605565 /nfs/dbraw/zinc/60/55/65/1131605565.db2.gz WNXONNVESSSCRI-JCNLHEQBSA-N 2 1 283.419 3.883 20 0 CHADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246551985 1131609328 /nfs/dbraw/zinc/60/93/28/1131609328.db2.gz NAUXRVVBSCGEGK-LRDDRELGSA-N 2 1 298.833 3.613 20 0 CHADMP CC(C)C1CCC([N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC001246567521 1131635970 /nfs/dbraw/zinc/63/59/70/1131635970.db2.gz LLJSVTOZCSCVAU-ORBLRFAASA-N 2 1 266.473 3.508 20 0 CHADMP CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@@](C)(F)C2)C[C@H](CC)[NH2+]1 ZINC001246570970 1131645610 /nfs/dbraw/zinc/64/56/10/1131645610.db2.gz CBRDJBVWZSFYEF-QKPAOTATSA-N 2 1 270.436 3.510 20 0 CHADMP CC[C@@H]1C[C@H]([N@H+]2CCCC[C@@](C)(F)C2)C[C@H](CC)[NH2+]1 ZINC001246570966 1131645632 /nfs/dbraw/zinc/64/56/32/1131645632.db2.gz CBRDJBVWZSFYEF-FXUDXRNXSA-N 2 1 270.436 3.510 20 0 CHADMP [NH3+]C[C@H]1CCCC[N@H+](C2CCC3(CCCCC3)CC2)C1 ZINC001246583828 1131690531 /nfs/dbraw/zinc/69/05/31/1131690531.db2.gz SDKJOPYMAXMYER-MRXNPFEDSA-N 2 1 278.484 3.940 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc3cc[nH]c32)CC1 ZINC001144721330 1131695152 /nfs/dbraw/zinc/69/51/52/1131695152.db2.gz GVHQLLHOEMBYLG-UHFFFAOYSA-N 2 1 299.462 3.864 20 0 CHADMP C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CCCCCC[NH3+])C1 ZINC000846219015 1131700691 /nfs/dbraw/zinc/70/06/91/1131700691.db2.gz CTQUWGRAYIWTQT-PBHICJAKSA-N 2 1 278.415 3.728 20 0 CHADMP Cc1ccc(C[N@H+](CCCCCC[NH3+])C(C)C)s1 ZINC000846217805 1131700950 /nfs/dbraw/zinc/70/09/50/1131700950.db2.gz CKJSUBNBUXTIEB-UHFFFAOYSA-N 2 1 268.470 3.786 20 0 CHADMP CC[C@H]1c2ccccc2CC[N@@H+]1CCCCCC[NH3+] ZINC000846217930 1131701060 /nfs/dbraw/zinc/70/10/60/1131701060.db2.gz JBOQFOJWCMJBPX-KRWDZBQOSA-N 2 1 260.425 3.515 20 0 CHADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)CC(C)(C)C1 ZINC001246614162 1131718474 /nfs/dbraw/zinc/71/84/74/1131718474.db2.gz MNXWGLQKFDMUFJ-RYRKJORJSA-N 2 1 278.484 3.809 20 0 CHADMP Cc1ccccc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000834891709 1131719398 /nfs/dbraw/zinc/71/93/98/1131719398.db2.gz IUVNNWOAZKZSNZ-PHSGOXPASA-N 2 1 284.447 3.661 20 0 CHADMP CCCCCC[C@H](CCC)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246630922 1131741434 /nfs/dbraw/zinc/74/14/34/1131741434.db2.gz MBFNUVUWOYFCPF-IRXDYDNUSA-N 2 1 266.473 3.811 20 0 CHADMP CCCCC[C@H](CCC)[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246643555 1131766940 /nfs/dbraw/zinc/76/69/40/1131766940.db2.gz NNUDWGDIMUHJJT-IRXDYDNUSA-N 2 1 266.473 3.953 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246644472 1131771086 /nfs/dbraw/zinc/77/10/86/1131771086.db2.gz QEOAKZBHPVHWIU-ULQDDVLXSA-N 2 1 266.473 3.665 20 0 CHADMP CCCCCC[C@H](CCCC)[N@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001246677580 1131779641 /nfs/dbraw/zinc/77/96/41/1131779641.db2.gz WFURAECVEAOZOA-IXDOHACOSA-N 2 1 266.473 3.809 20 0 CHADMP CCCCCC[C@H](CCCC)[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001246677592 1131780149 /nfs/dbraw/zinc/78/01/49/1131780149.db2.gz WFURAECVEAOZOA-ULQDDVLXSA-N 2 1 266.473 3.809 20 0 CHADMP CCCC[C@H](CC(C)C)[N@@H+]1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001246689310 1131782036 /nfs/dbraw/zinc/78/20/36/1131782036.db2.gz INTDLKHXRBRWHH-OAGGEKHMSA-N 2 1 284.463 3.600 20 0 CHADMP CCC[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246776623 1131782674 /nfs/dbraw/zinc/78/26/74/1131782674.db2.gz LITAGRPVHPVJCC-MSOLQXFVSA-N 2 1 274.452 3.675 20 0 CHADMP C[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246801022 1131783222 /nfs/dbraw/zinc/78/32/22/1131783222.db2.gz XQHMFVCTZRXVMN-HOTGVXAUSA-N 2 1 294.870 3.939 20 0 CHADMP CC(C)CC(CC(C)C)[N@H+]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001246827543 1131786014 /nfs/dbraw/zinc/78/60/14/1131786014.db2.gz MLTOQMRACDWLMY-OLZOCXBDSA-N 2 1 294.405 3.659 20 0 CHADMP CC(C)CC(CC(C)C)[N@@H+]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001246827543 1131786021 /nfs/dbraw/zinc/78/60/21/1131786021.db2.gz MLTOQMRACDWLMY-OLZOCXBDSA-N 2 1 294.405 3.659 20 0 CHADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@@H]1c1ccccc1SC ZINC001246884590 1131803757 /nfs/dbraw/zinc/80/37/57/1131803757.db2.gz BZNQXGJMLLWRAJ-DZGCQCFKSA-N 2 1 278.465 3.543 20 0 CHADMP CC1(C)CC[C@H]([N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)C1 ZINC001246937917 1131822476 /nfs/dbraw/zinc/82/24/76/1131822476.db2.gz NKAOUUKGIWWSBA-WBVHZDCISA-N 2 1 278.484 3.809 20 0 CHADMP CCCCC[C@@H](CC)[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001246975667 1131831530 /nfs/dbraw/zinc/83/15/30/1131831530.db2.gz NHIVHNKOQCEMDL-OAHLLOKOSA-N 2 1 266.473 3.952 20 0 CHADMP Cc1ccc([C@@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)s1 ZINC000348155879 1131890886 /nfs/dbraw/zinc/89/08/86/1131890886.db2.gz CKIIULIKIXGELX-CABCVRRESA-N 2 1 278.465 3.678 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)s1 ZINC000348155879 1131890894 /nfs/dbraw/zinc/89/08/94/1131890894.db2.gz CKIIULIKIXGELX-CABCVRRESA-N 2 1 278.465 3.678 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)s1 ZINC000348155879 1131890907 /nfs/dbraw/zinc/89/09/07/1131890907.db2.gz CKIIULIKIXGELX-CABCVRRESA-N 2 1 278.465 3.678 20 0 CHADMP c1cc2c(cccc2C[NH+]2CCC3(CCC[NH2+]3)CC2)s1 ZINC001228557388 1131909008 /nfs/dbraw/zinc/90/90/08/1131909008.db2.gz YDSVYZFJRDXZHA-UHFFFAOYSA-N 2 1 286.444 3.619 20 0 CHADMP FC1(F)CC2(C1)CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140801970 1131923446 /nfs/dbraw/zinc/92/34/46/1131923446.db2.gz MQULDGAYGLMYJE-UHFFFAOYSA-N 2 1 291.345 3.574 20 0 CHADMP Cc1cccc(C[N@H+](C)Cc2c[nH]c3cc[nH+]cc23)c1 ZINC001140799791 1131924067 /nfs/dbraw/zinc/92/40/67/1131924067.db2.gz MUSFZUYVJWDIFZ-UHFFFAOYSA-N 2 1 265.360 3.503 20 0 CHADMP Cc1cccc(C[N@@H+](C)Cc2c[nH]c3cc[nH+]cc23)c1 ZINC001140799791 1131924076 /nfs/dbraw/zinc/92/40/76/1131924076.db2.gz MUSFZUYVJWDIFZ-UHFFFAOYSA-N 2 1 265.360 3.503 20 0 CHADMP FC1CC2(C1)CCC[N@H+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140804705 1131928119 /nfs/dbraw/zinc/92/81/19/1131928119.db2.gz ARMAOTRLZMXSDD-UHFFFAOYSA-N 2 1 287.382 3.667 20 0 CHADMP FC1CC2(C1)CCC[N@@H+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140804705 1131928127 /nfs/dbraw/zinc/92/81/27/1131928127.db2.gz ARMAOTRLZMXSDD-UHFFFAOYSA-N 2 1 287.382 3.667 20 0 CHADMP C[N@@H+](Cc1c[nH]c2ccncc12)[C@H]1CCc2ccccc21 ZINC001140806928 1131928582 /nfs/dbraw/zinc/92/85/82/1131928582.db2.gz XTJSXLJVOINCIC-SFHVURJKSA-N 2 1 277.371 3.682 20 0 CHADMP C[N@H+](Cc1cnc2cc[nH]cc1-2)[C@H]1CCc2ccccc21 ZINC001140806928 1131928590 /nfs/dbraw/zinc/92/85/90/1131928590.db2.gz XTJSXLJVOINCIC-SFHVURJKSA-N 2 1 277.371 3.682 20 0 CHADMP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)[C@H]1CCc2ccccc21 ZINC001140806928 1131928601 /nfs/dbraw/zinc/92/86/01/1131928601.db2.gz XTJSXLJVOINCIC-SFHVURJKSA-N 2 1 277.371 3.682 20 0 CHADMP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)[C@H]1CCc2ccccc21 ZINC001140806928 1131928608 /nfs/dbraw/zinc/92/86/08/1131928608.db2.gz XTJSXLJVOINCIC-SFHVURJKSA-N 2 1 277.371 3.682 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(C(C)(C)C)cc1 ZINC000037267124 1132027294 /nfs/dbraw/zinc/02/72/94/1132027294.db2.gz CETWMRHYFQUUFM-CQSZACIVSA-N 2 1 274.452 3.729 20 0 CHADMP C[N@@H+](Cc1ccccc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171629491 1132061036 /nfs/dbraw/zinc/06/10/36/1132061036.db2.gz TXDAPCUEQYMCHH-UHFFFAOYSA-N 2 1 274.452 3.770 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@@H](c1ccccc1F)C(C)C ZINC001171827288 1132100017 /nfs/dbraw/zinc/10/00/17/1132100017.db2.gz LFDPSJIKTMRMHL-QGZVFWFLSA-N 2 1 280.431 3.844 20 0 CHADMP CC1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171965826 1132112703 /nfs/dbraw/zinc/11/27/03/1132112703.db2.gz RSPSGAHWEZDLGL-NXYGQSRBSA-N 2 1 286.463 3.818 20 0 CHADMP CC1(C)C[C@H]([NH2+]C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC001171963215 1132113404 /nfs/dbraw/zinc/11/34/04/1132113404.db2.gz HFVOMCQLJRMMJR-QGZVFWFLSA-N 2 1 272.436 3.572 20 0 CHADMP CC/C=C\CCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206153246 1132117643 /nfs/dbraw/zinc/11/76/43/1132117643.db2.gz CJEWAYISRCDOKD-MYIWKSEUSA-N 2 1 270.436 3.664 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206153246 1132117645 /nfs/dbraw/zinc/11/76/45/1132117645.db2.gz CJEWAYISRCDOKD-MYIWKSEUSA-N 2 1 270.436 3.664 20 0 CHADMP CC1(C)C[C@H]([NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171976221 1132118462 /nfs/dbraw/zinc/11/84/62/1132118462.db2.gz JJQCQBNXBROMKK-QGZVFWFLSA-N 2 1 272.436 3.525 20 0 CHADMP CC1(C)C[C@H]([NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171976221 1132118467 /nfs/dbraw/zinc/11/84/67/1132118467.db2.gz JJQCQBNXBROMKK-QGZVFWFLSA-N 2 1 272.436 3.525 20 0 CHADMP CC1(C)C[C@H]([NH+]2CC3CC(C3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171987640 1132120037 /nfs/dbraw/zinc/12/00/37/1132120037.db2.gz YSEVOQLBQANISI-CTWPCTMYSA-N 2 1 298.474 3.771 20 0 CHADMP CC1(C)C[C@H]([NH+]2CC3CC(C3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171987640 1132120040 /nfs/dbraw/zinc/12/00/40/1132120040.db2.gz YSEVOQLBQANISI-CTWPCTMYSA-N 2 1 298.474 3.771 20 0 CHADMP C[C@@H]1CCC[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976955 1132120196 /nfs/dbraw/zinc/12/01/96/1132120196.db2.gz PBHSUSPEULYFIC-SJLPKXTDSA-N 2 1 286.463 3.914 20 0 CHADMP C[C@@H]1CCC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976955 1132120197 /nfs/dbraw/zinc/12/01/97/1132120197.db2.gz PBHSUSPEULYFIC-SJLPKXTDSA-N 2 1 286.463 3.914 20 0 CHADMP C[C@@H]1CCC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976955 1132120202 /nfs/dbraw/zinc/12/02/02/1132120202.db2.gz PBHSUSPEULYFIC-SJLPKXTDSA-N 2 1 286.463 3.914 20 0 CHADMP C[C@@H]1CCC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976955 1132120205 /nfs/dbraw/zinc/12/02/05/1132120205.db2.gz PBHSUSPEULYFIC-SJLPKXTDSA-N 2 1 286.463 3.914 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)C2 ZINC001172100515 1132124510 /nfs/dbraw/zinc/12/45/10/1132124510.db2.gz DDWVXPCWORFFSQ-BTTYYORXSA-N 2 1 296.817 3.584 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](Cc1ccccc1)C1CC1)C2 ZINC001172129391 1132127600 /nfs/dbraw/zinc/12/76/00/1132127600.db2.gz ZAEIGVRZHYKRFB-REPLKXPHSA-N 2 1 284.447 3.666 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](Cc1ccccc1)C1CC1)C2 ZINC001172129391 1132127605 /nfs/dbraw/zinc/12/76/05/1132127605.db2.gz ZAEIGVRZHYKRFB-REPLKXPHSA-N 2 1 284.447 3.666 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+](Cc1ccccc1)C1CC1)C2 ZINC001172129391 1132127607 /nfs/dbraw/zinc/12/76/07/1132127607.db2.gz ZAEIGVRZHYKRFB-REPLKXPHSA-N 2 1 284.447 3.666 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](Cc1ccccc1)C1CC1)C2 ZINC001172129391 1132127612 /nfs/dbraw/zinc/12/76/12/1132127612.db2.gz ZAEIGVRZHYKRFB-REPLKXPHSA-N 2 1 284.447 3.666 20 0 CHADMP CCc1ccc(C[N@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172129428 1132127766 /nfs/dbraw/zinc/12/77/66/1132127766.db2.gz ZNMDZPAXNSUBSC-REPLKXPHSA-N 2 1 286.463 3.696 20 0 CHADMP CCc1ccc(C[N@@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172129428 1132127769 /nfs/dbraw/zinc/12/77/69/1132127769.db2.gz ZNMDZPAXNSUBSC-REPLKXPHSA-N 2 1 286.463 3.696 20 0 CHADMP CCc1ccc(C[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172129428 1132127773 /nfs/dbraw/zinc/12/77/73/1132127773.db2.gz ZNMDZPAXNSUBSC-REPLKXPHSA-N 2 1 286.463 3.696 20 0 CHADMP CCc1ccc(C[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172129428 1132127775 /nfs/dbraw/zinc/12/77/75/1132127775.db2.gz ZNMDZPAXNSUBSC-REPLKXPHSA-N 2 1 286.463 3.696 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@@H]3C[C@H](C1)c1ccccc13)C2 ZINC001172127700 1132128580 /nfs/dbraw/zinc/12/85/80/1132128580.db2.gz JLPXVYGMADOHLQ-IJTOGUNISA-N 2 1 296.458 3.588 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1C[C@@H]3C[C@H](C1)c1ccccc13)C2 ZINC001172127700 1132128581 /nfs/dbraw/zinc/12/85/81/1132128581.db2.gz JLPXVYGMADOHLQ-IJTOGUNISA-N 2 1 296.458 3.588 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1C[C@@H]3C[C@H](C1)c1ccccc13)C2 ZINC001172127700 1132128586 /nfs/dbraw/zinc/12/85/86/1132128586.db2.gz JLPXVYGMADOHLQ-IJTOGUNISA-N 2 1 296.458 3.588 20 0 CHADMP CCCC[C@@H](CC)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172107532 1132129632 /nfs/dbraw/zinc/12/96/32/1132129632.db2.gz ZFGRKRWNWIYMQF-WCXIOVBPSA-N 2 1 266.473 3.808 20 0 CHADMP Cc1cc(F)cc(C)c1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104428 1132129830 /nfs/dbraw/zinc/12/98/30/1132129830.db2.gz FUXBRRXRULUMRD-BJWYYQGGSA-N 2 1 290.426 3.547 20 0 CHADMP CCCCCC(C)(C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172105113 1132130345 /nfs/dbraw/zinc/13/03/45/1132130345.db2.gz GWQABUIRPLDWMW-MUJYYYPQSA-N 2 1 266.473 3.950 20 0 CHADMP CCCCCC(C)(C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172105113 1132130350 /nfs/dbraw/zinc/13/03/50/1132130350.db2.gz GWQABUIRPLDWMW-MUJYYYPQSA-N 2 1 266.473 3.950 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1sccc1Cl)C2 ZINC001172113458 1132132490 /nfs/dbraw/zinc/13/24/90/1132132490.db2.gz HIMOSDYNRVSLGM-CNDDSTCGSA-N 2 1 284.856 3.506 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1sccc1Cl)C2 ZINC001172113458 1132132497 /nfs/dbraw/zinc/13/24/97/1132132497.db2.gz HIMOSDYNRVSLGM-CNDDSTCGSA-N 2 1 284.856 3.506 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(C)c1 ZINC001172111059 1132133087 /nfs/dbraw/zinc/13/30/87/1132133087.db2.gz QAIPJTKUGXBJGW-FJIDUMEYSA-N 2 1 286.463 3.969 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC001172111059 1132133090 /nfs/dbraw/zinc/13/30/90/1132133090.db2.gz QAIPJTKUGXBJGW-FJIDUMEYSA-N 2 1 286.463 3.969 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)c1cccc(F)c1)C2 ZINC001172111282 1132134102 /nfs/dbraw/zinc/13/41/02/1132134102.db2.gz RGCQMCNJCITBFC-OSYLJGHBSA-N 2 1 290.426 3.666 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)c1cccc(F)c1)C2 ZINC001172111282 1132134104 /nfs/dbraw/zinc/13/41/04/1132134104.db2.gz RGCQMCNJCITBFC-OSYLJGHBSA-N 2 1 290.426 3.666 20 0 CHADMP C[N@@H+](Cc1cccc(Cl)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172122905 1132135345 /nfs/dbraw/zinc/13/53/45/1132135345.db2.gz VLHPFGUINVRHCQ-BJWYYQGGSA-N 2 1 292.854 3.787 20 0 CHADMP C[NH+](Cc1cccc(Cl)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172122905 1132135348 /nfs/dbraw/zinc/13/53/48/1132135348.db2.gz VLHPFGUINVRHCQ-BJWYYQGGSA-N 2 1 292.854 3.787 20 0 CHADMP C[NH+](Cc1cccc(Cl)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172122905 1132135352 /nfs/dbraw/zinc/13/53/52/1132135352.db2.gz VLHPFGUINVRHCQ-BJWYYQGGSA-N 2 1 292.854 3.787 20 0 CHADMP CC[C@H](C)OCC[C@H](C)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001172315212 1132156408 /nfs/dbraw/zinc/15/64/08/1132156408.db2.gz GFSZWDPFJGCECY-HOTGVXAUSA-N 2 1 284.488 3.564 20 0 CHADMP C[C@@H]1CC[C@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H]1C ZINC001172372611 1132166823 /nfs/dbraw/zinc/16/68/23/1132166823.db2.gz YJFOXJNXVGQRFK-SQDXWYPISA-N 2 1 278.484 3.936 20 0 CHADMP C[C@@H]1CC[C@H]([N@H+]2CCCC[C@H](CCC[NH3+])C2)C[C@H]1C ZINC001172366849 1132192041 /nfs/dbraw/zinc/19/20/41/1132192041.db2.gz HTJGEPXCZBAGNH-VQHPVUNQSA-N 2 1 266.473 3.652 20 0 CHADMP CC[C@H](CC(C)C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172383914 1132209556 /nfs/dbraw/zinc/20/95/56/1132209556.db2.gz CLFSFFLWLIPQRC-RTBURBONSA-N 2 1 288.479 3.923 20 0 CHADMP C[N@@H+](C1CC1)C1CC[NH+]([C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172567410 1132271639 /nfs/dbraw/zinc/27/16/39/1132271639.db2.gz DCGVFSMUEKYODC-YLJYHZDGSA-N 2 1 298.474 3.881 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172538024 1132275360 /nfs/dbraw/zinc/27/53/60/1132275360.db2.gz LFERNYOUGMEPKN-UHOSZYNNSA-N 2 1 286.463 3.644 20 0 CHADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172541767 1132277595 /nfs/dbraw/zinc/27/75/95/1132277595.db2.gz DRBXPIDCIHHWSM-CEXWTWQISA-N 2 1 286.463 3.787 20 0 CHADMP Cc1cc(F)ccc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000840810048 1132290865 /nfs/dbraw/zinc/29/08/65/1132290865.db2.gz NVSWZOPAMOMHIN-GJZGRUSLSA-N 2 1 278.415 3.517 20 0 CHADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCC[C@@H](OC)C1 ZINC001172927953 1132364384 /nfs/dbraw/zinc/36/43/84/1132364384.db2.gz HSYKUOLJRIWXOF-VDHUWJSZSA-N 2 1 296.499 3.705 20 0 CHADMP CC[NH+](CC)C1CCC([N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001173114146 1132394479 /nfs/dbraw/zinc/39/44/79/1132394479.db2.gz XYZUZERVXFAIJR-RYTJFDOTSA-N 2 1 266.473 3.617 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCC3(CCCC3)C2)CC1 ZINC001173114892 1132394644 /nfs/dbraw/zinc/39/46/44/1132394644.db2.gz VLAXYWLQKAKFDY-UHFFFAOYSA-N 2 1 278.484 3.906 20 0 CHADMP CC[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1cccc(F)c1 ZINC001232015270 1132410969 /nfs/dbraw/zinc/41/09/69/1132410969.db2.gz DVVZLJAEHRXGRD-UHFFFAOYSA-N 2 1 283.350 3.724 20 0 CHADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001232014460 1132411034 /nfs/dbraw/zinc/41/10/34/1132411034.db2.gz PWFQPEAVULKLMH-KGLIPLIRSA-N 2 1 269.392 3.575 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001232078897 1132418143 /nfs/dbraw/zinc/41/81/43/1132418143.db2.gz IPNPVKKUUGIDRM-UHFFFAOYSA-N 2 1 288.479 3.900 20 0 CHADMP CCC(C)(C)c1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001232078897 1132418163 /nfs/dbraw/zinc/41/81/63/1132418163.db2.gz IPNPVKKUUGIDRM-UHFFFAOYSA-N 2 1 288.479 3.900 20 0 CHADMP CCCC[C@H](CC(C)C)[NH2+][C@@H]1C[C@H]2CC[N@@H+](C1)[C@@H]2C ZINC001173251734 1132421439 /nfs/dbraw/zinc/42/14/39/1132421439.db2.gz DPUOXBLPWDBBIJ-QBPKDAKJSA-N 2 1 266.473 3.664 20 0 CHADMP C[C@H]1CCC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)CC1 ZINC001232145270 1132427174 /nfs/dbraw/zinc/42/71/74/1132427174.db2.gz ZXXVSTAAGWNEBW-AWEZNQCLSA-N 2 1 278.415 3.509 20 0 CHADMP CCCC[C@H](CC(C)C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001173259887 1132427343 /nfs/dbraw/zinc/42/73/43/1132427343.db2.gz MYHAGIDDBNEJBJ-IAGOWNOFSA-N 2 1 266.473 3.619 20 0 CHADMP CCCC[C@H](CC(C)C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001173259887 1132427346 /nfs/dbraw/zinc/42/73/46/1132427346.db2.gz MYHAGIDDBNEJBJ-IAGOWNOFSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000842478109 1132433142 /nfs/dbraw/zinc/43/31/42/1132433142.db2.gz NFILKMFOMSJSPX-DNVCBOLYSA-N 2 1 280.415 3.729 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000842478109 1132433147 /nfs/dbraw/zinc/43/31/47/1132433147.db2.gz NFILKMFOMSJSPX-DNVCBOLYSA-N 2 1 280.415 3.729 20 0 CHADMP Cc1cc(C)c([C@H](C)[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)c(C)c1 ZINC000842478045 1132433374 /nfs/dbraw/zinc/43/33/74/1132433374.db2.gz KOQVNIHQUBSMTC-WMZOPIPTSA-N 2 1 272.436 3.501 20 0 CHADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)c(C)c1 ZINC000842478045 1132433379 /nfs/dbraw/zinc/43/33/79/1132433379.db2.gz KOQVNIHQUBSMTC-WMZOPIPTSA-N 2 1 272.436 3.501 20 0 CHADMP Cc1cc(C)c([C@H](C)[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)c(C)c1 ZINC000842478043 1132433598 /nfs/dbraw/zinc/43/35/98/1132433598.db2.gz KOQVNIHQUBSMTC-FUHWJXTLSA-N 2 1 272.436 3.501 20 0 CHADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@]3(CCC[NH2+]3)C2)c(C)c1 ZINC000842478043 1132433602 /nfs/dbraw/zinc/43/36/02/1132433602.db2.gz KOQVNIHQUBSMTC-FUHWJXTLSA-N 2 1 272.436 3.501 20 0 CHADMP CC[C@H]1CC[C@@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173269598 1132434412 /nfs/dbraw/zinc/43/44/12/1132434412.db2.gz JCTJVDLLYIYLQK-NXNVCVFFSA-N 2 1 264.457 3.690 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)[C@H]2CC[C@@H](CC)C2)CC1 ZINC001173281619 1132454469 /nfs/dbraw/zinc/45/44/69/1132454469.db2.gz AHPRVGCVNSUKQF-WBVHZDCISA-N 2 1 266.473 3.761 20 0 CHADMP CN1CCC[C@@H]2C[N@H+]([C@@H]3CCCC4(CCCCC4)C3)C[C@@H]21 ZINC001173349139 1132474114 /nfs/dbraw/zinc/47/41/14/1132474114.db2.gz NOOAMLRSLHNQRU-KURKYZTESA-N 2 1 290.495 3.906 20 0 CHADMP [NH3+]CCC[N@H+](Cc1cncc2ccccc21)CC1CCCC1 ZINC000843122726 1132496414 /nfs/dbraw/zinc/49/64/14/1132496414.db2.gz DODJWOKXKZVEHT-UHFFFAOYSA-N 2 1 297.446 3.576 20 0 CHADMP CCCC1CCC(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC001203136145 1132526929 /nfs/dbraw/zinc/52/69/29/1132526929.db2.gz LQCHSYFOBCIVHC-DAWZGUTISA-N 2 1 280.500 3.914 20 0 CHADMP CCC[NH+]1CCC([NH2+]Cc2cccc(C(F)F)c2)CC1 ZINC000131765929 1132571392 /nfs/dbraw/zinc/57/13/92/1132571392.db2.gz WLDZKZGKRMQAKC-UHFFFAOYSA-N 2 1 282.378 3.588 20 0 CHADMP Cc1cc(NC[C@H]2CCC[NH2+]C[C@H]2C)[nH+]c2ccccc12 ZINC001155026437 1132636735 /nfs/dbraw/zinc/63/67/35/1132636735.db2.gz SZJFLEGQGXQLHS-HUUCEWRRSA-N 2 1 283.419 3.591 20 0 CHADMP Cc1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)sc1C ZINC001233646155 1132656251 /nfs/dbraw/zinc/65/62/51/1132656251.db2.gz MYAGZJWUEKQXLZ-UHFFFAOYSA-N 2 1 292.492 3.815 20 0 CHADMP C[NH+](C)CCc1ccc(Nc2cc[nH+]c3ccccc23)cc1 ZINC001174039222 1132704024 /nfs/dbraw/zinc/70/40/24/1132704024.db2.gz JZHXKPQFKKEHAO-UHFFFAOYSA-N 2 1 291.398 3.504 20 0 CHADMP CC1(C)C[C@H](Nc2cccc(C3CC3)[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001158271576 1132768071 /nfs/dbraw/zinc/76/80/71/1132768071.db2.gz JWYMPYFFFQIANE-KSSFIOAISA-N 2 1 287.451 3.915 20 0 CHADMP Cc1c[nH+]c(NC2CC(C)(C)[NH+](C)C(C)(C)C2)c(C)c1 ZINC001159397365 1132839065 /nfs/dbraw/zinc/83/90/65/1132839065.db2.gz MADIGJBWHCVKDZ-UHFFFAOYSA-N 2 1 275.440 3.762 20 0 CHADMP Cc1c[nH+]ccc1Nc1cc[nH+]c(-c2ccccc2)c1 ZINC001174537077 1132897749 /nfs/dbraw/zinc/89/77/49/1132897749.db2.gz VLODBDKAYUKWKY-UHFFFAOYSA-N 2 1 261.328 3.618 20 0 CHADMP c1nc2ccc(NC3=CC[C@@H]([NH+]4CCCC4)CC3)cc2[nH]1 ZINC001160222904 1132948598 /nfs/dbraw/zinc/94/85/98/1132948598.db2.gz APSOLEYBWOXQLZ-OAHLLOKOSA-N 2 1 282.391 3.507 20 0 CHADMP c1[nH]c2ccc(NC3=CC[C@@H]([NH+]4CCCC4)CC3)cc2[nH+]1 ZINC001160222904 1132948603 /nfs/dbraw/zinc/94/86/03/1132948603.db2.gz APSOLEYBWOXQLZ-OAHLLOKOSA-N 2 1 282.391 3.507 20 0 CHADMP Cc1cc[nH+]c(N[C@@H](c2cccc(F)c2)C2CC[NH2+]CC2)c1 ZINC001161820196 1133032069 /nfs/dbraw/zinc/03/20/69/1133032069.db2.gz JYYLYOHGGQLFLW-GOSISDBHSA-N 2 1 299.393 3.682 20 0 CHADMP CC(C)(C)c1cc[nH+]c(NCc2ccc3c(c2)CC[NH2+]C3)c1 ZINC001162815176 1133113876 /nfs/dbraw/zinc/11/38/76/1133113876.db2.gz JVZSNRRARCEWIJ-UHFFFAOYSA-N 2 1 295.430 3.637 20 0 CHADMP c1ccc([C@@H]2C[C@@H]2C[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC001206714969 1133264293 /nfs/dbraw/zinc/26/42/93/1133264293.db2.gz MPNQIHJGIRINOH-GGPKGHCWSA-N 2 1 298.474 3.787 20 0 CHADMP c1ccc([C@@H]2C[C@@H]2C[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC001206714969 1133264297 /nfs/dbraw/zinc/26/42/97/1133264297.db2.gz MPNQIHJGIRINOH-GGPKGHCWSA-N 2 1 298.474 3.787 20 0 CHADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001203918070 1133385476 /nfs/dbraw/zinc/38/54/76/1133385476.db2.gz PZZADDQUJAPXKR-ROUUACIJSA-N 2 1 290.426 3.665 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001203918070 1133385481 /nfs/dbraw/zinc/38/54/81/1133385481.db2.gz PZZADDQUJAPXKR-ROUUACIJSA-N 2 1 290.426 3.665 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001203918070 1133385487 /nfs/dbraw/zinc/38/54/87/1133385487.db2.gz PZZADDQUJAPXKR-ROUUACIJSA-N 2 1 290.426 3.665 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001203918070 1133385492 /nfs/dbraw/zinc/38/54/92/1133385492.db2.gz PZZADDQUJAPXKR-ROUUACIJSA-N 2 1 290.426 3.665 20 0 CHADMP CC[N@H+](C)C1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC001204000103 1133398433 /nfs/dbraw/zinc/39/84/33/1133398433.db2.gz ULXSDEHHZOQBFO-UHFFFAOYSA-N 2 1 282.431 3.756 20 0 CHADMP CC[N@@H+](C)C1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC001204000103 1133398436 /nfs/dbraw/zinc/39/84/36/1133398436.db2.gz ULXSDEHHZOQBFO-UHFFFAOYSA-N 2 1 282.431 3.756 20 0 CHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc(F)ccc2F)CC1 ZINC001204219325 1133421034 /nfs/dbraw/zinc/42/10/34/1133421034.db2.gz ZJPFNIXGHBDKCG-UHFFFAOYSA-N 2 1 296.405 3.517 20 0 CHADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC001204592078 1133465781 /nfs/dbraw/zinc/46/57/81/1133465781.db2.gz LNNCFNYJPZCNIC-BHIYHBOVSA-N 2 1 292.511 3.867 20 0 CHADMP CC[C@@H]1CCC[C@@H](C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)C1 ZINC001204592078 1133465784 /nfs/dbraw/zinc/46/57/84/1133465784.db2.gz LNNCFNYJPZCNIC-BHIYHBOVSA-N 2 1 292.511 3.867 20 0 CHADMP CC[C@@H]1CCC[C@@H](C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC001204592078 1133465786 /nfs/dbraw/zinc/46/57/86/1133465786.db2.gz LNNCFNYJPZCNIC-BHIYHBOVSA-N 2 1 292.511 3.867 20 0 CHADMP CC(C)[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001204604473 1133467261 /nfs/dbraw/zinc/46/72/61/1133467261.db2.gz QHUJXJACSQOZOF-UHFFFAOYSA-N 2 1 294.442 3.743 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727937 1133479904 /nfs/dbraw/zinc/47/99/04/1133479904.db2.gz XATGOCVPQQPKCX-QGZVFWFLSA-N 2 1 278.484 3.835 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001204789829 1133485423 /nfs/dbraw/zinc/48/54/23/1133485423.db2.gz CVZTXYFYFGHFIT-IBGZPJMESA-N 2 1 280.415 3.585 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1CC[C@](C)([NH3+])C1 ZINC001204789829 1133485428 /nfs/dbraw/zinc/48/54/28/1133485428.db2.gz CVZTXYFYFGHFIT-IBGZPJMESA-N 2 1 280.415 3.585 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H](C)c2cccc3ccccc32)C1 ZINC001205002078 1133515989 /nfs/dbraw/zinc/51/59/89/1133515989.db2.gz YXFPUYVITYWACA-DLBZAZTESA-N 2 1 296.458 3.875 20 0 CHADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC001205095340 1133529244 /nfs/dbraw/zinc/52/92/44/1133529244.db2.gz WVOSEKBOWCYFKS-LJQANCHMSA-N 2 1 280.415 3.667 20 0 CHADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc(-c3ccsc3)c2)CC1 ZINC001205110469 1133531399 /nfs/dbraw/zinc/53/13/99/1133531399.db2.gz SUHYMYYOBIDEBF-QGZVFWFLSA-N 2 1 286.444 3.728 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205117485 1133531809 /nfs/dbraw/zinc/53/18/09/1133531809.db2.gz PFMGKBMRADQEES-GOSISDBHSA-N 2 1 294.442 3.975 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205117365 1133532650 /nfs/dbraw/zinc/53/26/50/1133532650.db2.gz OYARFVHUJRRNRB-KRWDZBQOSA-N 2 1 274.452 3.687 20 0 CHADMP Cc1c(C[N@H+]2CCC[C@H]([NH3+])CC2)cccc1-c1ccccc1 ZINC001205123598 1133533495 /nfs/dbraw/zinc/53/34/95/1133533495.db2.gz CGYZCNPZUZBDEL-IBGZPJMESA-N 2 1 294.442 3.975 20 0 CHADMP c1ccc([C@@H]2CCCC[N@@H+]2CCC2CC[NH2+]CC2)cc1 ZINC001205164901 1133541124 /nfs/dbraw/zinc/54/11/24/1133541124.db2.gz VEDMCGPIZZBVDN-SFHVURJKSA-N 2 1 272.436 3.603 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205255489 1133550037 /nfs/dbraw/zinc/55/00/37/1133550037.db2.gz JMTGJCFPRYGUNC-IAGOWNOFSA-N 2 1 266.473 3.962 20 0 CHADMP COc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c2ccccc12 ZINC001205265240 1133551127 /nfs/dbraw/zinc/55/11/27/1133551127.db2.gz OWCCPMVAYSOYOL-LJQANCHMSA-N 2 1 298.430 3.552 20 0 CHADMP COc1ccc2ccccc2c1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205266349 1133552429 /nfs/dbraw/zinc/55/24/29/1133552429.db2.gz TZOQMHIGRJMFMI-IBGZPJMESA-N 2 1 298.430 3.552 20 0 CHADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205296203 1133556205 /nfs/dbraw/zinc/55/62/05/1133556205.db2.gz ITFUAHIOUPJRRA-YESZJQIVSA-N 2 1 298.515 3.525 20 0 CHADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001205324705 1133561558 /nfs/dbraw/zinc/56/15/58/1133561558.db2.gz FNAOHHYUVDYHID-AWEZNQCLSA-N 2 1 299.462 3.649 20 0 CHADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001205324705 1133561559 /nfs/dbraw/zinc/56/15/59/1133561559.db2.gz FNAOHHYUVDYHID-AWEZNQCLSA-N 2 1 299.462 3.649 20 0 CHADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2csc3ccccc23)CC1 ZINC001205570942 1133589735 /nfs/dbraw/zinc/58/97/35/1133589735.db2.gz QICQBHVREIRPSQ-INIZCTEOSA-N 2 1 292.423 3.554 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2)CC[C@H]1C[NH3+] ZINC001205626542 1133595927 /nfs/dbraw/zinc/59/59/27/1133595927.db2.gz HBIDPKJDOMBLMP-RDJZCZTQSA-N 2 1 288.479 3.791 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2cccc3sccc32)CC[C@H]1C[NH3+] ZINC001205651197 1133598377 /nfs/dbraw/zinc/59/83/77/1133598377.db2.gz AZXXCPDUVBABEN-KBPBESRZSA-N 2 1 288.460 3.708 20 0 CHADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(F)cc1Cl ZINC001205655151 1133600111 /nfs/dbraw/zinc/60/01/11/1133600111.db2.gz YWUNKUZPALJATG-AAEUAGOBSA-N 2 1 298.833 3.594 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2ccc(F)c(C3CC3)c2)CC[C@@H]1C[NH3+] ZINC001205655176 1133600194 /nfs/dbraw/zinc/60/01/94/1133600194.db2.gz YXUAGNWVFAZVLD-CZUORRHYSA-N 2 1 290.426 3.510 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205815782 1133618322 /nfs/dbraw/zinc/61/83/22/1133618322.db2.gz HTWWAPDCFNPPEZ-TZMCWYRMSA-N 2 1 288.460 3.769 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205815782 1133618325 /nfs/dbraw/zinc/61/83/25/1133618325.db2.gz HTWWAPDCFNPPEZ-TZMCWYRMSA-N 2 1 288.460 3.769 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001205852596 1133622035 /nfs/dbraw/zinc/62/20/35/1133622035.db2.gz GYIVQUPFTOIWJG-KSSFIOAISA-N 2 1 272.436 3.513 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001205852596 1133622039 /nfs/dbraw/zinc/62/20/39/1133622039.db2.gz GYIVQUPFTOIWJG-KSSFIOAISA-N 2 1 272.436 3.513 20 0 CHADMP C[C@@]1(F)CCC[N@@H+](CCC[NH2+]C2CCCCC2)CC1 ZINC001205855896 1133623006 /nfs/dbraw/zinc/62/30/06/1133623006.db2.gz QHVGPGFCGMKLLT-MRXNPFEDSA-N 2 1 270.436 3.513 20 0 CHADMP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc(C)c1Cl ZINC001205913432 1133629576 /nfs/dbraw/zinc/62/95/76/1133629576.db2.gz IGKGWOQKOSFHBC-ZFWWWQNUSA-N 2 1 280.843 3.516 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c(C)c1Cl ZINC001205923046 1133631259 /nfs/dbraw/zinc/63/12/59/1133631259.db2.gz HGWAOEGSEICSTI-KBPBESRZSA-N 2 1 280.843 3.516 20 0 CHADMP CC(C)C[N@@H+](CC[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC001205922843 1133631479 /nfs/dbraw/zinc/63/14/79/1133631479.db2.gz BNXPACZTBPHQJC-SFHVURJKSA-N 2 1 274.452 3.677 20 0 CHADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC001205924050 1133631618 /nfs/dbraw/zinc/63/16/18/1133631618.db2.gz HINOSCFDHIOULE-DKIMLUQUSA-N 2 1 278.484 3.521 20 0 CHADMP CCCC[C@H](CC)C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205981753 1133638022 /nfs/dbraw/zinc/63/80/22/1133638022.db2.gz GSONHJHPGZHXNQ-JYJNAYRXSA-N 2 1 254.462 3.510 20 0 CHADMP CC1=CC[C@H](CC[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)C1(C)C ZINC001205981438 1133638161 /nfs/dbraw/zinc/63/81/61/1133638161.db2.gz CIVKDZIJJHSMRY-HYVNUMGLSA-N 2 1 278.484 3.676 20 0 CHADMP CC(C)C1CCC(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)CC1 ZINC001205989199 1133639298 /nfs/dbraw/zinc/63/92/98/1133639298.db2.gz KOVOWFODURKKLU-ACBHZAAOSA-N 2 1 292.511 3.867 20 0 CHADMP CC(C)C1CCC(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC001205989199 1133639300 /nfs/dbraw/zinc/63/93/00/1133639300.db2.gz KOVOWFODURKKLU-ACBHZAAOSA-N 2 1 292.511 3.867 20 0 CHADMP CC(C)C1CCC(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC001205989199 1133639304 /nfs/dbraw/zinc/63/93/04/1133639304.db2.gz KOVOWFODURKKLU-ACBHZAAOSA-N 2 1 292.511 3.867 20 0 CHADMP CCc1cccc2c(C[N@H+]3CCC[C@@H](C[NH3+])[C@H](C)C3)c[nH]c21 ZINC001205995966 1133639484 /nfs/dbraw/zinc/63/94/84/1133639484.db2.gz SISZIECIWYAWNE-ZBFHGGJFSA-N 2 1 299.462 3.537 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(F)cc1Cl ZINC001206027279 1133644130 /nfs/dbraw/zinc/64/41/30/1133644130.db2.gz VRVMXNSBHWCDBK-OLZOCXBDSA-N 2 1 298.833 3.594 20 0 CHADMP CC(C)C[C@H]1CCC[C@@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C1 ZINC001206134747 1133662040 /nfs/dbraw/zinc/66/20/40/1133662040.db2.gz ATRWMYGMKIZRPZ-BRWVUGGUSA-N 2 1 268.489 3.910 20 0 CHADMP CC(C)C[C@H]1CCC[C@@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C1 ZINC001206134747 1133662043 /nfs/dbraw/zinc/66/20/43/1133662043.db2.gz ATRWMYGMKIZRPZ-BRWVUGGUSA-N 2 1 268.489 3.910 20 0 CHADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2c3ccccc3[nH]c2C(C)(C)C)C1 ZINC001206269207 1133680218 /nfs/dbraw/zinc/68/02/18/1133680218.db2.gz GSAKQDJDCQPMRE-CQSZACIVSA-N 2 1 299.462 3.507 20 0 CHADMP CCCC[C@@H](CC)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206292713 1133684711 /nfs/dbraw/zinc/68/47/11/1133684711.db2.gz DJDUCOJTYVYSPT-HZPDHXFCSA-N 2 1 254.462 3.654 20 0 CHADMP C[C@@H](CC[N@H+]1CCC[C@@](C)(C[NH3+])CC1)CC(C)(C)C ZINC001206295871 1133685386 /nfs/dbraw/zinc/68/53/86/1133685386.db2.gz OLGWZKKQSYEFBD-DOTOQJQBSA-N 2 1 268.489 3.900 20 0 CHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(F)c(C3CC3)c2)CC1 ZINC001206327312 1133689873 /nfs/dbraw/zinc/68/98/73/1133689873.db2.gz VJBOZHIPJMESBY-GOSISDBHSA-N 2 1 290.426 3.654 20 0 CHADMP Cc1ccc(Cl)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206325806 1133689899 /nfs/dbraw/zinc/68/98/99/1133689899.db2.gz KFWSROIZTUQBQP-INIZCTEOSA-N 2 1 280.843 3.599 20 0 CHADMP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2csc3ccccc23)C1 ZINC001206351928 1133693430 /nfs/dbraw/zinc/69/34/30/1133693430.db2.gz KJSWXQPBBDCDCP-INIZCTEOSA-N 2 1 292.423 3.554 20 0 CHADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2csc3ccccc23)C1 ZINC001206351928 1133693433 /nfs/dbraw/zinc/69/34/33/1133693433.db2.gz KJSWXQPBBDCDCP-INIZCTEOSA-N 2 1 292.423 3.554 20 0 CHADMP CCCc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)s1 ZINC001206547117 1133715293 /nfs/dbraw/zinc/71/52/93/1133715293.db2.gz BUSGTEJNNRNXQL-MRXNPFEDSA-N 2 1 280.481 3.652 20 0 CHADMP Cc1ccc(Cl)c(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206573741 1133720378 /nfs/dbraw/zinc/72/03/78/1133720378.db2.gz NHYPEGMBYJWMGZ-INIZCTEOSA-N 2 1 280.843 3.599 20 0 CHADMP CC(C)[N@H+](Cc1sccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC001206583799 1133721683 /nfs/dbraw/zinc/72/16/83/1133721683.db2.gz WTRGRVDVQAAAOH-LBPRGKRZSA-N 2 1 286.872 3.754 20 0 CHADMP CC(C)[N@@H+](Cc1sccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC001206583799 1133721686 /nfs/dbraw/zinc/72/16/86/1133721686.db2.gz WTRGRVDVQAAAOH-LBPRGKRZSA-N 2 1 286.872 3.754 20 0 CHADMP Cc1cccc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1C ZINC001206582003 1133721944 /nfs/dbraw/zinc/72/19/44/1133721944.db2.gz KZSCBXGDGCWKLW-SFHVURJKSA-N 2 1 274.452 3.656 20 0 CHADMP CC(C)[N@@H+](Cc1ccc2c(c1)CCC2)[C@@H]1CCC[NH2+]CC1 ZINC001206584209 1133722222 /nfs/dbraw/zinc/72/22/22/1133722222.db2.gz XPIBOGGPQZPKNA-LJQANCHMSA-N 2 1 286.463 3.528 20 0 CHADMP CCc1cccc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1 ZINC001206589994 1133722923 /nfs/dbraw/zinc/72/29/23/1133722923.db2.gz KDBGCXCYXYBNEV-SFHVURJKSA-N 2 1 274.452 3.602 20 0 CHADMP CC(C)[N@@H+](Cc1coc2ccccc12)[C@H]1CCC[NH2+]CC1 ZINC001206588565 1133723051 /nfs/dbraw/zinc/72/30/51/1133723051.db2.gz BPUFOCMJXQELSW-INIZCTEOSA-N 2 1 286.419 3.785 20 0 CHADMP CC(C)[N@@H+](Cc1ccccc1C(F)F)[C@@H]1CCC[NH2+]CC1 ZINC001206591515 1133724359 /nfs/dbraw/zinc/72/43/59/1133724359.db2.gz SGQSDCVDOBXAMK-OAHLLOKOSA-N 2 1 296.405 3.977 20 0 CHADMP CC(C)[N@@H+](Cc1cccc2ccoc21)[C@@H]1CCC[NH2+]CC1 ZINC001206598142 1133725211 /nfs/dbraw/zinc/72/52/11/1133725211.db2.gz IBWRKFCHDAUKAX-QGZVFWFLSA-N 2 1 286.419 3.785 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)s1 ZINC001206615551 1133728115 /nfs/dbraw/zinc/72/81/15/1133728115.db2.gz ILJPZCKVWJLTAY-CQSZACIVSA-N 2 1 280.481 3.652 20 0 CHADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206761291 1133743561 /nfs/dbraw/zinc/74/35/61/1133743561.db2.gz WDAWPGXZMMHREV-BBWFWOEESA-N 2 1 298.515 3.667 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@@H](C[NH3+])CC[C@@H]3C)cc2)o1 ZINC001206767439 1133746029 /nfs/dbraw/zinc/74/60/29/1133746029.db2.gz BIJURJYFRWHLOI-WMLDXEAASA-N 2 1 298.430 3.814 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1 ZINC001206810057 1133751182 /nfs/dbraw/zinc/75/11/82/1133751182.db2.gz MXKBPWLGZGGISD-ZIAGYGMSSA-N 2 1 280.843 3.516 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CC2(CCC2)C1 ZINC001207101035 1133766897 /nfs/dbraw/zinc/76/68/97/1133766897.db2.gz FKSIGUULBUKSJF-FUHWJXTLSA-N 2 1 298.474 3.677 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC001207282795 1133787591 /nfs/dbraw/zinc/78/75/91/1133787591.db2.gz OTVYFCJVZGLAQK-INIZCTEOSA-N 2 1 266.473 3.619 20 0 CHADMP CC[C@H](C)[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207289103 1133788091 /nfs/dbraw/zinc/78/80/91/1133788091.db2.gz HTEPEUSNUPGLLJ-INIZCTEOSA-N 2 1 274.452 3.629 20 0 CHADMP CCCC[N@H+](Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC001207398440 1133797972 /nfs/dbraw/zinc/79/79/72/1133797972.db2.gz PWHDOOBXGONNIP-UHFFFAOYSA-N 2 1 274.452 3.631 20 0 CHADMP CC[N@H+](Cc1ccc(Cl)cc1)CC1CC[NH+](C)CC1 ZINC001207398883 1133798229 /nfs/dbraw/zinc/79/82/29/1133798229.db2.gz SULCJNPSPRHWAS-UHFFFAOYSA-N 2 1 280.843 3.504 20 0 CHADMP CC[C@H]1CCCC[C@@H]1C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC001207738561 1133844111 /nfs/dbraw/zinc/84/41/11/1133844111.db2.gz CYNWUIOHHWYATP-JKSUJKDBSA-N 2 1 268.489 3.722 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2C)CC1 ZINC000088683792 1133874589 /nfs/dbraw/zinc/87/45/89/1133874589.db2.gz KMALQEPCQQOWJA-LPHOPBHVSA-N 2 1 286.463 3.738 20 0 CHADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@H](C3CCCCC3)C2)CC1 ZINC001208109262 1133876730 /nfs/dbraw/zinc/87/67/30/1133876730.db2.gz MLNMRJDLONAVQI-QGZVFWFLSA-N 2 1 278.484 3.621 20 0 CHADMP Cc1ccc([C@@H](C)CC[NH+]2CCC([N@H+](C)C3CC3)CC2)o1 ZINC001208164669 1133890075 /nfs/dbraw/zinc/89/00/75/1133890075.db2.gz APOFOOVVBITWCB-AWEZNQCLSA-N 2 1 290.451 3.640 20 0 CHADMP Cc1ccc([C@@H](C)CC[NH+]2CCC([N@@H+](C)C3CC3)CC2)o1 ZINC001208164669 1133890080 /nfs/dbraw/zinc/89/00/80/1133890080.db2.gz APOFOOVVBITWCB-AWEZNQCLSA-N 2 1 290.451 3.640 20 0 CHADMP CC[NH+](CC)C1CC[NH+](CC[C@H](C)c2ccc(C)o2)CC1 ZINC001208158321 1133891463 /nfs/dbraw/zinc/89/14/63/1133891463.db2.gz XQMKEIQOEHADSD-HNNXBMFYSA-N 2 1 292.467 3.888 20 0 CHADMP CC[N@@H+](Cc1ccc(F)cc1)CC1(C[NH+](C)C)CCCC1 ZINC001208186405 1133901851 /nfs/dbraw/zinc/90/18/51/1133901851.db2.gz QFLAIOTXEZKIDV-UHFFFAOYSA-N 2 1 292.442 3.770 20 0 CHADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H]2C2CCCCC2)CC1 ZINC001208601622 1133918666 /nfs/dbraw/zinc/91/86/66/1133918666.db2.gz OEORNRPGIKXENW-GOSISDBHSA-N 2 1 278.484 3.763 20 0 CHADMP CC[NH+]1CCC(C[N@@H+](Cc2ccccc2)C2CCC2)CC1 ZINC001208603413 1133919221 /nfs/dbraw/zinc/91/92/21/1133919221.db2.gz ZWEHZDRRGDRDRZ-UHFFFAOYSA-N 2 1 286.463 3.773 20 0 CHADMP C[N@H+]1CC=C(Nc2ccc([NH+]3CCCCCC3)cc2)CC1 ZINC001208844561 1133952053 /nfs/dbraw/zinc/95/20/53/1133952053.db2.gz QIUVUWKUMXEBDO-UHFFFAOYSA-N 2 1 285.435 3.698 20 0 CHADMP C[N@@H+]1CC=C(Nc2ccc([NH+]3CCCCCC3)cc2)CC1 ZINC001208844561 1133952056 /nfs/dbraw/zinc/95/20/56/1133952056.db2.gz QIUVUWKUMXEBDO-UHFFFAOYSA-N 2 1 285.435 3.698 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3C[C@@H]4CCCC[C@@H]4C3)C2)cc1 ZINC001208943822 1133965153 /nfs/dbraw/zinc/96/51/53/1133965153.db2.gz VKWPKXKPEJBACJ-AQNXPRMDSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3C[C@@H]4CCCC[C@@H]4C3)C2)cc1 ZINC001208943822 1133965155 /nfs/dbraw/zinc/96/51/55/1133965155.db2.gz VKWPKXKPEJBACJ-AQNXPRMDSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3C[C@@H]4CCCC[C@@H]4C3)C2)cc1 ZINC001208943822 1133965159 /nfs/dbraw/zinc/96/51/59/1133965159.db2.gz VKWPKXKPEJBACJ-AQNXPRMDSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3C[C@H]4CCCC[C@@H]4C3)C2)cc1 ZINC001208943825 1133966211 /nfs/dbraw/zinc/96/62/11/1133966211.db2.gz VKWPKXKPEJBACJ-XUVXKRRUSA-N 2 1 298.474 3.631 20 0 CHADMP CCC1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208942027 1133967071 /nfs/dbraw/zinc/96/70/71/1133967071.db2.gz OHWSKFSTBREUCA-LJQANCHMSA-N 2 1 286.463 3.631 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCC[C@H]4CCC[C@@H]43)C2)cc1 ZINC001208954602 1133967282 /nfs/dbraw/zinc/96/72/82/1133967282.db2.gz WOKKQFIIROXDGB-ZCNNSNEGSA-N 2 1 298.474 3.773 20 0 CHADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CCC[C@H]4CCC[C@@H]43)C2)cc1 ZINC001208954602 1133967287 /nfs/dbraw/zinc/96/72/87/1133967287.db2.gz WOKKQFIIROXDGB-ZCNNSNEGSA-N 2 1 298.474 3.773 20 0 CHADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CCC[C@H]4CCC[C@@H]43)C2)cc1 ZINC001208954602 1133967293 /nfs/dbraw/zinc/96/72/93/1133967293.db2.gz WOKKQFIIROXDGB-ZCNNSNEGSA-N 2 1 298.474 3.773 20 0 CHADMP C[N@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)C(C)(C)C ZINC001208931651 1133967470 /nfs/dbraw/zinc/96/74/70/1133967470.db2.gz BUASXUHGLDVXCY-QGZVFWFLSA-N 2 1 274.452 3.629 20 0 CHADMP C[N@@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)C(C)(C)C ZINC001208931651 1133967472 /nfs/dbraw/zinc/96/74/72/1133967472.db2.gz BUASXUHGLDVXCY-QGZVFWFLSA-N 2 1 274.452 3.629 20 0 CHADMP C[NH+](C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC001208931651 1133967476 /nfs/dbraw/zinc/96/74/76/1133967476.db2.gz BUASXUHGLDVXCY-QGZVFWFLSA-N 2 1 274.452 3.629 20 0 CHADMP C[NH+](C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC001208931651 1133967478 /nfs/dbraw/zinc/96/74/78/1133967478.db2.gz BUASXUHGLDVXCY-QGZVFWFLSA-N 2 1 274.452 3.629 20 0 CHADMP CC(C)[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208956350 1133969330 /nfs/dbraw/zinc/96/93/30/1133969330.db2.gz HGZDIBAEWVDKJW-MOPGFXCFSA-N 2 1 286.463 3.629 20 0 CHADMP CC(C)[C@@H]1CCC[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208956350 1133969331 /nfs/dbraw/zinc/96/93/31/1133969331.db2.gz HGZDIBAEWVDKJW-MOPGFXCFSA-N 2 1 286.463 3.629 20 0 CHADMP CC(C)[C@@H]1CCC[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208956350 1133969337 /nfs/dbraw/zinc/96/93/37/1133969337.db2.gz HGZDIBAEWVDKJW-MOPGFXCFSA-N 2 1 286.463 3.629 20 0 CHADMP c1csc(CC[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001209224436 1133991468 /nfs/dbraw/zinc/99/14/68/1133991468.db2.gz AYJGIOJUTLWTQL-MRXNPFEDSA-N 2 1 292.492 3.631 20 0 CHADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@@H]2C[C@@H]2C)CC1 ZINC001209420358 1134014518 /nfs/dbraw/zinc/01/45/18/1134014518.db2.gz HZPZAWJPSRFECO-WMZOPIPTSA-N 2 1 286.463 3.629 20 0 CHADMP Cc1ccc2[nH]cc(C[NH+]3CCC([NH+]4CCCC4)CC3)c2c1 ZINC001209488775 1134028486 /nfs/dbraw/zinc/02/84/86/1134028486.db2.gz BYMBMCSRAQHXTI-UHFFFAOYSA-N 2 1 297.446 3.537 20 0 CHADMP CSc1ccccc1[C@@H]1CCC[N@@H+]1Cc1c[nH+]ccc1N ZINC001209737919 1134055467 /nfs/dbraw/zinc/05/54/67/1134055467.db2.gz UGRWENQVJNAMOY-INIZCTEOSA-N 2 1 299.443 3.553 20 0 CHADMP CSc1ccccc1[C@@H]1CCC[N@H+]1Cc1c[nH+]ccc1N ZINC001209737919 1134055473 /nfs/dbraw/zinc/05/54/73/1134055473.db2.gz UGRWENQVJNAMOY-INIZCTEOSA-N 2 1 299.443 3.553 20 0 CHADMP CC(C)(C)c1cc(Nc2c[nH+]c3ccccn23)cc[nH+]1 ZINC001213162928 1134432991 /nfs/dbraw/zinc/43/29/91/1134432991.db2.gz MZDLJDKJMNJRRH-UHFFFAOYSA-N 2 1 266.348 3.770 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309636973 1135089555 /nfs/dbraw/zinc/08/95/55/1135089555.db2.gz ABMMXQFYVWQLAE-NZSAHSFTSA-N 2 1 286.463 3.677 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c2ccccc12 ZINC001222142208 1135199317 /nfs/dbraw/zinc/19/93/17/1135199317.db2.gz XBEHZBLVDZAYLU-FQEVSTJZSA-N 2 1 294.442 3.724 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222141511 1135200062 /nfs/dbraw/zinc/20/00/62/1135200062.db2.gz NOLGKAZYXJZZMU-JXCVUKRWSA-N 2 1 278.484 3.979 20 0 CHADMP CC/C=C\CC[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222154797 1135200977 /nfs/dbraw/zinc/20/09/77/1135200977.db2.gz QWFKVALIWZLQPY-LIMHQNJXSA-N 2 1 264.457 3.589 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(C)c1Cl ZINC001222154206 1135201413 /nfs/dbraw/zinc/20/14/13/1135201413.db2.gz IITVHEVJKGTOGA-QGZVFWFLSA-N 2 1 292.854 3.532 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(C)c1Cl ZINC001222154206 1135201421 /nfs/dbraw/zinc/20/14/21/1135201421.db2.gz IITVHEVJKGTOGA-QGZVFWFLSA-N 2 1 292.854 3.532 20 0 CHADMP C[C@H](CC[N@H+]1CCC[C@@]12CCC[NH2+]C2)CC(C)(C)C ZINC001222232320 1135211458 /nfs/dbraw/zinc/21/14/58/1135211458.db2.gz UXMSJFJFCIHRBD-NVXWUHKLSA-N 2 1 266.473 3.667 20 0 CHADMP c1ccc2cc(C[NH+]3CCC4(CCCC[NH2+]4)CC3)ccc2c1 ZINC001222292864 1135219230 /nfs/dbraw/zinc/21/92/30/1135219230.db2.gz KDKUBVHLGBVTTO-UHFFFAOYSA-N 2 1 294.442 3.948 20 0 CHADMP Fc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1Cl ZINC001222307985 1135221569 /nfs/dbraw/zinc/22/15/69/1135221569.db2.gz DFNDMXRAKVGQGZ-MRXNPFEDSA-N 2 1 296.817 3.587 20 0 CHADMP Fc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1Cl ZINC001222307985 1135221574 /nfs/dbraw/zinc/22/15/74/1135221574.db2.gz DFNDMXRAKVGQGZ-MRXNPFEDSA-N 2 1 296.817 3.587 20 0 CHADMP Cc1csc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1Cl ZINC001222308286 1135221849 /nfs/dbraw/zinc/22/18/49/1135221849.db2.gz IHXDHEKWRTXKKS-OAHLLOKOSA-N 2 1 298.883 3.818 20 0 CHADMP Cc1ccc2[nH]cc(C[N@H+]3CCC[C@@]34CCC[NH2+]CC4)c2c1 ZINC001222308690 1135223143 /nfs/dbraw/zinc/22/31/43/1135223143.db2.gz LJALYSCROCNJOE-LJQANCHMSA-N 2 1 297.446 3.584 20 0 CHADMP Cc1[nH]c2ccccc2c1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222309683 1135223245 /nfs/dbraw/zinc/22/32/45/1135223245.db2.gz POEDBXHMTJXXNY-IBGZPJMESA-N 2 1 297.446 3.584 20 0 CHADMP Cc1ccc2c(C[N@H+]3CCC[C@]34CCC[NH2+]CC4)c[nH]c2c1 ZINC001222310907 1135223345 /nfs/dbraw/zinc/22/33/45/1135223345.db2.gz YJXGPECDFNKKSL-IBGZPJMESA-N 2 1 297.446 3.584 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222315890 1135223614 /nfs/dbraw/zinc/22/36/14/1135223614.db2.gz QHPBWYXYLLEVTP-KRWDZBQOSA-N 2 1 292.854 3.757 20 0 CHADMP CCc1cccc(C)c1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222321346 1135224900 /nfs/dbraw/zinc/22/49/00/1135224900.db2.gz UAERSFOYDUBNDM-LJQANCHMSA-N 2 1 286.463 3.666 20 0 CHADMP c1cc(C2CC2)ccc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222321569 1135225691 /nfs/dbraw/zinc/22/56/91/1135225691.db2.gz ZCCZNOBWOLSVGT-IBGZPJMESA-N 2 1 284.447 3.672 20 0 CHADMP CC1=CC[C@H](CC[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)C1(C)C ZINC001222346425 1135229494 /nfs/dbraw/zinc/22/94/94/1135229494.db2.gz RQAOWICGLWDBSQ-AEFFLSMTSA-N 2 1 276.468 3.587 20 0 CHADMP c1ccc2c(c1)cccc2C[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222384875 1135233347 /nfs/dbraw/zinc/23/33/47/1135233347.db2.gz BAPXLSZTGNFYMI-FQEVSTJZSA-N 2 1 294.442 3.948 20 0 CHADMP c1ccc2c(c1)cccc2C[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222384875 1135233352 /nfs/dbraw/zinc/23/33/52/1135233352.db2.gz BAPXLSZTGNFYMI-FQEVSTJZSA-N 2 1 294.442 3.948 20 0 CHADMP c1ccc2c(c1)cccc2C[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222384876 1135233678 /nfs/dbraw/zinc/23/36/78/1135233678.db2.gz BAPXLSZTGNFYMI-HXUWFJFHSA-N 2 1 294.442 3.948 20 0 CHADMP c1ccc2c(c1)cccc2C[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222384876 1135233682 /nfs/dbraw/zinc/23/36/82/1135233682.db2.gz BAPXLSZTGNFYMI-HXUWFJFHSA-N 2 1 294.442 3.948 20 0 CHADMP Cc1c(C)c(C)c(C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)c(C)c1C ZINC001222470241 1135245712 /nfs/dbraw/zinc/24/57/12/1135245712.db2.gz CAXYYYHEJYMNIW-LJQANCHMSA-N 2 1 286.463 3.557 20 0 CHADMP Cc1c(C)c(C)c(C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)c(C)c1C ZINC001222470241 1135245715 /nfs/dbraw/zinc/24/57/15/1135245715.db2.gz CAXYYYHEJYMNIW-LJQANCHMSA-N 2 1 286.463 3.557 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222615529 1135254871 /nfs/dbraw/zinc/25/48/71/1135254871.db2.gz QVFAILAOMVCTTH-OPCNFVSTSA-N 2 1 264.457 3.587 20 0 CHADMP CC(C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000052379074 261089777 /nfs/dbraw/zinc/08/97/77/261089777.db2.gz MRPMKTXGLWVWJM-OAHLLOKOSA-N 2 1 260.425 3.559 20 0 CHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000347082526 532983781 /nfs/dbraw/zinc/98/37/81/532983781.db2.gz ZJCAGNBEDHTCBA-VXGBXAGGSA-N 2 1 292.810 3.645 20 0 CHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000347082526 532983788 /nfs/dbraw/zinc/98/37/88/532983788.db2.gz ZJCAGNBEDHTCBA-VXGBXAGGSA-N 2 1 292.810 3.645 20 0 CHADMP CC1(C)CC([NH2+]Cc2ccccc2Cl)CC(C)(C)[NH2+]1 ZINC000020143061 171029233 /nfs/dbraw/zinc/02/92/33/171029233.db2.gz RYGZKDJZGXWFLK-UHFFFAOYSA-N 2 1 280.843 3.739 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C)s2)CC1 ZINC000020189986 171056653 /nfs/dbraw/zinc/05/66/53/171056653.db2.gz HIRDNWOGRVRUBJ-CYBMUJFWSA-N 2 1 266.454 3.582 20 0 CHADMP C[NH+](C)C1(C[NH2+]C2CCCCCC2)CCCCC1 ZINC000021787512 171323021 /nfs/dbraw/zinc/32/30/21/171323021.db2.gz IYXRJQLXTMRDQF-UHFFFAOYSA-N 2 1 252.446 3.563 20 0 CHADMP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2C2CCCCC2)CC1 ZINC000034996622 171926124 /nfs/dbraw/zinc/92/61/24/171926124.db2.gz HFOGTWPJKDRKKG-QZTJIDSGSA-N 2 1 278.484 3.809 20 0 CHADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCC[C@@H]4C[C@@]43C)CC2)[nH+]1 ZINC000345056907 225406882 /nfs/dbraw/zinc/40/68/82/225406882.db2.gz LMNWJYASHZHFJZ-SUMDDJOVSA-N 2 1 299.462 3.527 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC000347589677 226211400 /nfs/dbraw/zinc/21/14/00/226211400.db2.gz YNFMNMHIWMYUTP-HOCLYGCPSA-N 2 1 277.456 3.728 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC000347589677 226211402 /nfs/dbraw/zinc/21/14/02/226211402.db2.gz YNFMNMHIWMYUTP-HOCLYGCPSA-N 2 1 277.456 3.728 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000347927734 226393082 /nfs/dbraw/zinc/39/30/82/226393082.db2.gz QMTMNVKDDDQBAK-UHFFFAOYSA-N 2 1 297.446 3.755 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000575192473 335078458 /nfs/dbraw/zinc/07/84/58/335078458.db2.gz CRFGSBXEQNDDQY-IENJSVCTSA-N 2 1 295.430 3.531 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000575192473 335078459 /nfs/dbraw/zinc/07/84/59/335078459.db2.gz CRFGSBXEQNDDQY-IENJSVCTSA-N 2 1 295.430 3.531 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]CC1CCC(C(C)C)CC1 ZINC000352783096 227219913 /nfs/dbraw/zinc/21/99/13/227219913.db2.gz XDGFFCOBYJIAGD-UHFFFAOYSA-N 2 1 277.456 3.634 20 0 CHADMP C[C@H]1CCC[C@@H](CC[NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000352760366 227198645 /nfs/dbraw/zinc/19/86/45/227198645.db2.gz PBLTZPRUMGQOSJ-KBPBESRZSA-N 2 1 295.496 3.511 20 0 CHADMP Cc1cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c(C)s1 ZINC000353649573 228138528 /nfs/dbraw/zinc/13/85/28/228138528.db2.gz SDDINNIHXCGTCH-MRXNPFEDSA-N 2 1 280.481 3.671 20 0 CHADMP Cc1cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c(C)s1 ZINC000353649573 228138531 /nfs/dbraw/zinc/13/85/31/228138531.db2.gz SDDINNIHXCGTCH-MRXNPFEDSA-N 2 1 280.481 3.671 20 0 CHADMP Cc1cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c(C)s1 ZINC000353649573 228138533 /nfs/dbraw/zinc/13/85/33/228138533.db2.gz SDDINNIHXCGTCH-MRXNPFEDSA-N 2 1 280.481 3.671 20 0 CHADMP Cc1cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c(C)s1 ZINC000353649573 228138536 /nfs/dbraw/zinc/13/85/36/228138536.db2.gz SDDINNIHXCGTCH-MRXNPFEDSA-N 2 1 280.481 3.671 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1c[nH+]ccc1N ZINC000332575335 228163676 /nfs/dbraw/zinc/16/36/76/228163676.db2.gz CSQVWLMXCZZSRG-ZQDZILKHSA-N 2 1 273.424 3.504 20 0 CHADMP C[C@H](F)CC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000352016796 228174414 /nfs/dbraw/zinc/17/44/14/228174414.db2.gz ZSYQIYGVAXCGAM-INIZCTEOSA-N 2 1 292.442 3.579 20 0 CHADMP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000037200870 260073980 /nfs/dbraw/zinc/07/39/80/260073980.db2.gz RLFPOSAVCUIWDQ-SFHVURJKSA-N 2 1 274.452 3.675 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCC(C)(C)C)CC1 ZINC000517547549 260191021 /nfs/dbraw/zinc/19/10/21/260191021.db2.gz AFGHCJDHXJVIOU-UHFFFAOYSA-N 2 1 268.489 3.865 20 0 CHADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000312755450 260197381 /nfs/dbraw/zinc/19/73/81/260197381.db2.gz OGRWXWXKGYXFRE-WCBMZHEXSA-N 2 1 293.263 3.662 20 0 CHADMP Cc1ccc(C)c(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000521817125 260210287 /nfs/dbraw/zinc/21/02/87/260210287.db2.gz VOJKADNPITWHDV-QGZVFWFLSA-N 2 1 288.479 3.905 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC23CCCCC3)CC[N@@H+]1C ZINC000312991787 260229337 /nfs/dbraw/zinc/22/93/37/260229337.db2.gz NISSQBQMIMLIGG-PMPSAXMXSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC23CCCCC3)CC[N@H+]1C ZINC000312991787 260229338 /nfs/dbraw/zinc/22/93/38/260229338.db2.gz NISSQBQMIMLIGG-PMPSAXMXSA-N 2 1 264.457 3.562 20 0 CHADMP CCCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000091959934 260267154 /nfs/dbraw/zinc/26/71/54/260267154.db2.gz WPBGIJPNXSSNOQ-NJAFHUGGSA-N 2 1 274.452 3.990 20 0 CHADMP CCCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000091959934 260267155 /nfs/dbraw/zinc/26/71/55/260267155.db2.gz WPBGIJPNXSSNOQ-NJAFHUGGSA-N 2 1 274.452 3.990 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000091959941 260267208 /nfs/dbraw/zinc/26/72/08/260267208.db2.gz GPADXURDIJDRIU-DAXOMENPSA-N 2 1 280.843 3.863 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000091959941 260267209 /nfs/dbraw/zinc/26/72/09/260267209.db2.gz GPADXURDIJDRIU-DAXOMENPSA-N 2 1 280.843 3.863 20 0 CHADMP CC(C)C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000093977916 260340436 /nfs/dbraw/zinc/34/04/36/260340436.db2.gz IEDOGMLVVNUSIJ-OTWHNJEPSA-N 2 1 286.463 3.990 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCc2ccccc2C)C1 ZINC000084678395 260366525 /nfs/dbraw/zinc/36/65/25/260366525.db2.gz KCDLZPWGCSLLJQ-SFHVURJKSA-N 2 1 288.479 3.591 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCc2ccccc2C)C1 ZINC000084678395 260366526 /nfs/dbraw/zinc/36/65/26/260366526.db2.gz KCDLZPWGCSLLJQ-SFHVURJKSA-N 2 1 288.479 3.591 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCc2ccccc2C)C1 ZINC000084678395 260366527 /nfs/dbraw/zinc/36/65/27/260366527.db2.gz KCDLZPWGCSLLJQ-SFHVURJKSA-N 2 1 288.479 3.591 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC000128074929 260372097 /nfs/dbraw/zinc/37/20/97/260372097.db2.gz RVSBAKDVGKXGLJ-OAHLLOKOSA-N 2 1 274.452 3.675 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(C)(C)c3ccccc32)CC[N@@H+]1C ZINC000128105325 260372569 /nfs/dbraw/zinc/37/25/69/260372569.db2.gz DOHWLYQXHONYAW-RVKKMQEKSA-N 2 1 286.463 3.871 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(C)(C)c3ccccc32)CC[N@H+]1C ZINC000128105325 260372570 /nfs/dbraw/zinc/37/25/70/260372570.db2.gz DOHWLYQXHONYAW-RVKKMQEKSA-N 2 1 286.463 3.871 20 0 CHADMP C1CCC2(C1)CCC([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000129451174 260387234 /nfs/dbraw/zinc/38/72/34/260387234.db2.gz HEUUHRQQBMPGMF-IAGOWNOFSA-N 2 1 276.468 3.706 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2CCC(C(C)(C)C)CC2)CC[N@@H+]1C ZINC000090721774 260392859 /nfs/dbraw/zinc/39/28/59/260392859.db2.gz GTMRSXWDQTUVKV-LBDPXKHJSA-N 2 1 266.473 3.664 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2CCC(C(C)(C)C)CC2)CC[N@H+]1C ZINC000090721774 260392860 /nfs/dbraw/zinc/39/28/60/260392860.db2.gz GTMRSXWDQTUVKV-LBDPXKHJSA-N 2 1 266.473 3.664 20 0 CHADMP C[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000153977686 261086373 /nfs/dbraw/zinc/08/63/73/261086373.db2.gz BXWRFUMPJJMVLW-KBPBESRZSA-N 2 1 292.854 3.517 20 0 CHADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156123064 261114557 /nfs/dbraw/zinc/11/45/57/261114557.db2.gz NSNOBHHMLOTPLY-LZLYRXPVSA-N 2 1 288.479 3.815 20 0 CHADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156123064 261114559 /nfs/dbraw/zinc/11/45/59/261114559.db2.gz NSNOBHHMLOTPLY-LZLYRXPVSA-N 2 1 288.479 3.815 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000462357598 261190281 /nfs/dbraw/zinc/19/02/81/261190281.db2.gz IRWXGKMGXILKNU-WCVJEAGWSA-N 2 1 266.473 3.521 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000165630757 261374332 /nfs/dbraw/zinc/37/43/32/261374332.db2.gz ZIBOTMGEPOQLFN-ZWKOTPCHSA-N 2 1 283.419 3.508 20 0 CHADMP Cc1nc(C(C)C)sc1[C@H](C)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000361764674 261389894 /nfs/dbraw/zinc/38/98/94/261389894.db2.gz MPQBWULHDDUHFN-SGMGOOAPSA-N 2 1 295.496 3.708 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000178707251 261755946 /nfs/dbraw/zinc/75/59/46/261755946.db2.gz WFRNEDDYAUYLOP-KBPBESRZSA-N 2 1 297.402 3.925 20 0 CHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(F)F)cc2)C1 ZINC000183954632 262001981 /nfs/dbraw/zinc/00/19/81/262001981.db2.gz SLBRESPXCBYHBL-HNNXBMFYSA-N 2 1 296.405 3.788 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(F)F)cc2)C1 ZINC000183954632 262001982 /nfs/dbraw/zinc/00/19/82/262001982.db2.gz SLBRESPXCBYHBL-HNNXBMFYSA-N 2 1 296.405 3.788 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000183954632 262001985 /nfs/dbraw/zinc/00/19/85/262001985.db2.gz SLBRESPXCBYHBL-HNNXBMFYSA-N 2 1 296.405 3.788 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000183954632 262001986 /nfs/dbraw/zinc/00/19/86/262001986.db2.gz SLBRESPXCBYHBL-HNNXBMFYSA-N 2 1 296.405 3.788 20 0 CHADMP C[C@H](NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000309752969 262012897 /nfs/dbraw/zinc/01/28/97/262012897.db2.gz WILDHVVSOAWORE-LPHOPBHVSA-N 2 1 298.430 3.842 20 0 CHADMP C[C@H]([NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1)c1ccco1 ZINC000309752969 262012900 /nfs/dbraw/zinc/01/29/00/262012900.db2.gz WILDHVVSOAWORE-LPHOPBHVSA-N 2 1 298.430 3.842 20 0 CHADMP Cc1oc2ccccc2c1C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000184724303 262027521 /nfs/dbraw/zinc/02/75/21/262027521.db2.gz UCYVCZOXJUJGEY-DCGLDWPTSA-N 2 1 286.419 3.560 20 0 CHADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCC[C@H]3C3CC3)CC2)[nH+]1 ZINC000497398582 262155026 /nfs/dbraw/zinc/15/50/26/262155026.db2.gz GCVVSMIAFPMWIK-ZWKOTPCHSA-N 2 1 299.462 3.527 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000094338962 262197520 /nfs/dbraw/zinc/19/75/20/262197520.db2.gz HOZPSIKIMBSFJW-KXBFYZLASA-N 2 1 280.415 3.523 20 0 CHADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000094339106 262197818 /nfs/dbraw/zinc/19/78/18/262197818.db2.gz XTZFYPMPALEZND-ZQIUZPCESA-N 2 1 260.425 3.540 20 0 CHADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000019913085 262205762 /nfs/dbraw/zinc/20/57/62/262205762.db2.gz OXESROMZUYCIDW-JKSUJKDBSA-N 2 1 290.451 3.610 20 0 CHADMP CC1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000390721148 262245923 /nfs/dbraw/zinc/24/59/23/262245923.db2.gz KFWCYYYNTADDRP-VMWRSERWSA-N 2 1 286.463 3.675 20 0 CHADMP CC1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000390721148 262245925 /nfs/dbraw/zinc/24/59/25/262245925.db2.gz KFWCYYYNTADDRP-VMWRSERWSA-N 2 1 286.463 3.675 20 0 CHADMP CC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000500073895 262252922 /nfs/dbraw/zinc/25/29/22/262252922.db2.gz JLTORSVAUQMNRC-IEBWSBKVSA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000500073895 262252923 /nfs/dbraw/zinc/25/29/23/262252923.db2.gz JLTORSVAUQMNRC-IEBWSBKVSA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000500073895 262252924 /nfs/dbraw/zinc/25/29/24/262252924.db2.gz JLTORSVAUQMNRC-IEBWSBKVSA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000500073895 262252925 /nfs/dbraw/zinc/25/29/25/262252925.db2.gz JLTORSVAUQMNRC-IEBWSBKVSA-N 2 1 286.463 3.773 20 0 CHADMP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccccc1F ZINC000021510521 262389445 /nfs/dbraw/zinc/38/94/45/262389445.db2.gz CTKWCDSJZKHFTJ-HNNXBMFYSA-N 2 1 278.415 3.598 20 0 CHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCCC[C@H]3F)CC2)C1 ZINC000414284165 262835589 /nfs/dbraw/zinc/83/55/89/262835589.db2.gz KFOJGPAINFVRAG-BZZMCLGOSA-N 2 1 296.474 3.900 20 0 CHADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC1CCC(c2ccccc2)CC1 ZINC000414661613 263023804 /nfs/dbraw/zinc/02/38/04/263023804.db2.gz OXVFWZMKFASTBX-XNGIKWSVSA-N 2 1 286.463 3.630 20 0 CHADMP CC[N@H+](Cc1ccccc1Cl)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414668660 263026295 /nfs/dbraw/zinc/02/62/95/263026295.db2.gz AMMVPPIAIXSFRL-KGLIPLIRSA-N 2 1 280.843 3.550 20 0 CHADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)CC[NH2+]1 ZINC000414682169 263031926 /nfs/dbraw/zinc/03/19/26/263031926.db2.gz XXZKLLCPSKAPIF-JKIFEVAISA-N 2 1 292.854 3.865 20 0 CHADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2csc3ccccc23)CC[NH2+]1 ZINC000414691674 263032726 /nfs/dbraw/zinc/03/27/26/263032726.db2.gz AAKGQXSQSAYXSR-KBPBESRZSA-N 2 1 288.460 3.721 20 0 CHADMP CC[C@H](C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000414788848 263048516 /nfs/dbraw/zinc/04/85/16/263048516.db2.gz XJYZNWNBFXMAJF-NZSAHSFTSA-N 2 1 286.463 3.502 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414816387 263053535 /nfs/dbraw/zinc/05/35/35/263053535.db2.gz PSMSXEXXGINEKL-KSZLIROESA-N 2 1 274.452 3.604 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(C(F)F)c2)CC[N@@H+]1C ZINC000279685682 263056717 /nfs/dbraw/zinc/05/67/17/263056717.db2.gz HHVSMHAOVXIOEN-DOMZBBRYSA-N 2 1 282.378 3.539 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(C(F)F)c2)CC[N@H+]1C ZINC000279685682 263056718 /nfs/dbraw/zinc/05/67/18/263056718.db2.gz HHVSMHAOVXIOEN-DOMZBBRYSA-N 2 1 282.378 3.539 20 0 CHADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(C(F)F)c2)CC[NH+]1C ZINC000279685682 263056719 /nfs/dbraw/zinc/05/67/19/263056719.db2.gz HHVSMHAOVXIOEN-DOMZBBRYSA-N 2 1 282.378 3.539 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(C(F)F)c2)CC[NH+]1C ZINC000279685682 263056720 /nfs/dbraw/zinc/05/67/20/263056720.db2.gz HHVSMHAOVXIOEN-DOMZBBRYSA-N 2 1 282.378 3.539 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000340370032 263120027 /nfs/dbraw/zinc/12/00/27/263120027.db2.gz KIDCMCUBBWSWDS-QFBILLFUSA-N 2 1 284.447 3.623 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000340370032 263120028 /nfs/dbraw/zinc/12/00/28/263120028.db2.gz KIDCMCUBBWSWDS-QFBILLFUSA-N 2 1 284.447 3.623 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000340370032 263120029 /nfs/dbraw/zinc/12/00/29/263120029.db2.gz KIDCMCUBBWSWDS-QFBILLFUSA-N 2 1 284.447 3.623 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(C2CC2)c1 ZINC000293605069 263144195 /nfs/dbraw/zinc/14/41/95/263144195.db2.gz GGBAUMRXHMJZFR-AWEZNQCLSA-N 2 1 284.447 3.841 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CCCCCc2ccc(F)cc2)CC[N@H+]1C ZINC000187759390 263268002 /nfs/dbraw/zinc/26/80/02/263268002.db2.gz ADECPNNBMJACFG-YJBOKZPZSA-N 2 1 292.442 3.611 20 0 CHADMP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC000187801708 263268844 /nfs/dbraw/zinc/26/88/44/263268844.db2.gz CEULMMXWUAALBF-UCLAIMLFSA-N 2 1 286.463 3.870 20 0 CHADMP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC000187801708 263268846 /nfs/dbraw/zinc/26/88/46/263268846.db2.gz CEULMMXWUAALBF-UCLAIMLFSA-N 2 1 286.463 3.870 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415086818 263271175 /nfs/dbraw/zinc/27/11/75/263271175.db2.gz SUPOYVGYWNCRCN-DIECFANBSA-N 2 1 260.425 3.504 20 0 CHADMP CCC(C)(C)C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415102137 263274198 /nfs/dbraw/zinc/27/41/98/263274198.db2.gz JLPKWYAFDRPSFZ-CVEARBPZSA-N 2 1 260.425 3.506 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000131998268 264378161 /nfs/dbraw/zinc/37/81/61/264378161.db2.gz DTYJDRJTHAYELH-MNOVXSKESA-N 2 1 287.234 3.644 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccccc2)c1 ZINC000065976591 265007566 /nfs/dbraw/zinc/00/75/66/265007566.db2.gz GVTJOUYOVNESQO-UHFFFAOYSA-N 2 1 282.431 3.817 20 0 CHADMP C[C@H](C[NH2+][C@H](C)c1csc(Cl)c1)C[NH+]1CCCC1 ZINC000191189192 265167623 /nfs/dbraw/zinc/16/76/23/265167623.db2.gz DDLLRYMCRGUGPN-VXGBXAGGSA-N 2 1 286.872 3.784 20 0 CHADMP C[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1)C[NH+]1CCCCC1 ZINC000094827106 265259548 /nfs/dbraw/zinc/25/95/48/265259548.db2.gz PYQZGNUPUOOCIY-ZIAGYGMSSA-N 2 1 296.405 3.737 20 0 CHADMP Cc1oc2ccccc2c1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000519033710 265299853 /nfs/dbraw/zinc/29/98/53/265299853.db2.gz ZRQLAKIURNVAEH-YJBOKZPZSA-N 2 1 298.430 3.657 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000519033710 265299857 /nfs/dbraw/zinc/29/98/57/265299857.db2.gz ZRQLAKIURNVAEH-YJBOKZPZSA-N 2 1 298.430 3.657 20 0 CHADMP Cc1oc2ccccc2c1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000519033710 265299859 /nfs/dbraw/zinc/29/98/59/265299859.db2.gz ZRQLAKIURNVAEH-YJBOKZPZSA-N 2 1 298.430 3.657 20 0 CHADMP C[C@H](CC[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21)c1ccccc1 ZINC000519129546 265328193 /nfs/dbraw/zinc/32/81/93/265328193.db2.gz BEAUVYDUYNOUIN-NEWSRXKRSA-N 2 1 286.463 3.596 20 0 CHADMP C[C@H](CC[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1ccccc1 ZINC000519129546 265328195 /nfs/dbraw/zinc/32/81/95/265328195.db2.gz BEAUVYDUYNOUIN-NEWSRXKRSA-N 2 1 286.463 3.596 20 0 CHADMP C[C@H](CC[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)c1ccccc1 ZINC000519129546 265328198 /nfs/dbraw/zinc/32/81/98/265328198.db2.gz BEAUVYDUYNOUIN-NEWSRXKRSA-N 2 1 286.463 3.596 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000356391290 266106490 /nfs/dbraw/zinc/10/64/90/266106490.db2.gz PRGOILDXDHHTGC-OEIFXAAASA-N 2 1 295.430 3.759 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000356391290 266106493 /nfs/dbraw/zinc/10/64/93/266106493.db2.gz PRGOILDXDHHTGC-OEIFXAAASA-N 2 1 295.430 3.759 20 0 CHADMP C[C@@H]1CCC[C@@H](C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)C1 ZINC000356996013 266226967 /nfs/dbraw/zinc/22/69/67/266226967.db2.gz GYULFASNOWBEMY-NVXWUHKLSA-N 2 1 289.467 3.501 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CCCC(F)(F)F ZINC000359629733 266608891 /nfs/dbraw/zinc/60/88/91/266608891.db2.gz GGPCNZJJAWROAV-NWDGAFQWSA-N 2 1 291.361 3.538 20 0 CHADMP Cc1cc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)oc2cc1C ZINC000370097118 267290855 /nfs/dbraw/zinc/29/08/55/267290855.db2.gz KGSIAZCHRIEAMH-SJORKVTESA-N 2 1 298.430 3.766 20 0 CHADMP Cc1cc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)oc2cc1C ZINC000370097118 267290857 /nfs/dbraw/zinc/29/08/57/267290857.db2.gz KGSIAZCHRIEAMH-SJORKVTESA-N 2 1 298.430 3.766 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000370477716 267321219 /nfs/dbraw/zinc/32/12/19/267321219.db2.gz QAULIHDZGHNSEV-FYQPLNBISA-N 2 1 298.474 3.713 20 0 CHADMP CC1(C)Cc2occc2[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000370670582 267336782 /nfs/dbraw/zinc/33/67/82/267336782.db2.gz FCTCLJHIRJKVNE-OFQRWUPVSA-N 2 1 288.435 3.510 20 0 CHADMP CC1(C)Cc2occc2[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000370670582 267336785 /nfs/dbraw/zinc/33/67/85/267336785.db2.gz FCTCLJHIRJKVNE-OFQRWUPVSA-N 2 1 288.435 3.510 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000193090532 327838034 /nfs/dbraw/zinc/83/80/34/327838034.db2.gz QDUYWWYKDUKFBX-MRXNPFEDSA-N 2 1 278.484 3.975 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCc3ccccc32)C1 ZINC000531682485 328020962 /nfs/dbraw/zinc/02/09/62/328020962.db2.gz IDEFARPIHHLRGN-APWZRJJASA-N 2 1 286.463 3.776 20 0 CHADMP CC[C@H](CN[C@H]1CCc2c1cccc2Cl)[NH+]1CCCC1 ZINC000531685679 328021678 /nfs/dbraw/zinc/02/16/78/328021678.db2.gz LAYYGNVGNONJMM-DYVFJYSZSA-N 2 1 292.854 3.791 20 0 CHADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1cccc2ccccc21 ZINC000534017960 328033199 /nfs/dbraw/zinc/03/31/99/328033199.db2.gz HZIZFPYMCHTJCV-SFHVURJKSA-N 2 1 282.431 3.756 20 0 CHADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1cccc2ccccc21 ZINC000534017960 328033201 /nfs/dbraw/zinc/03/32/01/328033201.db2.gz HZIZFPYMCHTJCV-SFHVURJKSA-N 2 1 282.431 3.756 20 0 CHADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1cccc2ccccc21 ZINC000534017960 328033202 /nfs/dbraw/zinc/03/32/02/328033202.db2.gz HZIZFPYMCHTJCV-SFHVURJKSA-N 2 1 282.431 3.756 20 0 CHADMP CCCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534228495 328040157 /nfs/dbraw/zinc/04/01/57/328040157.db2.gz UANSWFSAXOVOCE-UHFFFAOYSA-N 2 1 286.463 3.775 20 0 CHADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(CC)s2)CC1 ZINC000534345589 328047374 /nfs/dbraw/zinc/04/73/74/328047374.db2.gz NYSNRHMLVINBID-UHFFFAOYSA-N 2 1 280.481 3.617 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(CC)s2)CC1 ZINC000534345589 328047375 /nfs/dbraw/zinc/04/73/75/328047375.db2.gz NYSNRHMLVINBID-UHFFFAOYSA-N 2 1 280.481 3.617 20 0 CHADMP CCCCc1ccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000401759565 328055110 /nfs/dbraw/zinc/05/51/10/328055110.db2.gz HGSDLNACPRHWAV-OAHLLOKOSA-N 2 1 285.435 3.656 20 0 CHADMP CCc1c2ccccc2oc1[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000401783250 328061954 /nfs/dbraw/zinc/06/19/54/328061954.db2.gz RRTWXNWNQUXQBC-ZDUSSCGKSA-N 2 1 297.402 3.622 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000563481968 328069529 /nfs/dbraw/zinc/06/95/29/328069529.db2.gz FGDFPJGHEJXAKR-KBAYOESNSA-N 2 1 274.452 3.500 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000563481968 328069531 /nfs/dbraw/zinc/06/95/31/328069531.db2.gz FGDFPJGHEJXAKR-KBAYOESNSA-N 2 1 274.452 3.500 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000268776714 328071911 /nfs/dbraw/zinc/07/19/11/328071911.db2.gz AOZIBMDZBPJGGK-SNVBAGLBSA-N 2 1 298.217 3.849 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000571334969 328109633 /nfs/dbraw/zinc/10/96/33/328109633.db2.gz UCNLCTKZTIUZOI-MGPQQGTHSA-N 2 1 294.405 3.818 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000571334969 328109634 /nfs/dbraw/zinc/10/96/34/328109634.db2.gz UCNLCTKZTIUZOI-MGPQQGTHSA-N 2 1 294.405 3.818 20 0 CHADMP c1c[nH+]c(C2CC[NH+](Cc3cc4ccccc4o3)CC2)[nH]1 ZINC000268961570 328187642 /nfs/dbraw/zinc/18/76/42/328187642.db2.gz ITENWVAGVZSRJK-UHFFFAOYSA-N 2 1 281.359 3.536 20 0 CHADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC000414696587 328214760 /nfs/dbraw/zinc/21/47/60/328214760.db2.gz GODYUUZTRXHPOS-QLFBSQMISA-N 2 1 278.415 3.597 20 0 CHADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@@H]1c1cccc(F)c1 ZINC000414709829 328215289 /nfs/dbraw/zinc/21/52/89/328215289.db2.gz QIRQYBWSDNOTPA-ADAWSYLGSA-N 2 1 290.426 3.597 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000279904805 328233676 /nfs/dbraw/zinc/23/36/76/328233676.db2.gz LKYGNKUUKRHHJL-GOSISDBHSA-N 2 1 285.435 3.611 20 0 CHADMP CC[C@@H]([NH2+]CCC[NH+](C(C)C)C(C)C)c1ccncc1 ZINC000453117729 328290385 /nfs/dbraw/zinc/29/03/85/328290385.db2.gz KQMLKTDUZYAAEQ-QGZVFWFLSA-N 2 1 277.456 3.631 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@](C)(c2ccccc2)C1 ZINC000534758341 328360417 /nfs/dbraw/zinc/36/04/17/328360417.db2.gz YURUMEHRKCVCIL-MOPGFXCFSA-N 2 1 286.463 3.524 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000534758341 328360419 /nfs/dbraw/zinc/36/04/19/328360419.db2.gz YURUMEHRKCVCIL-MOPGFXCFSA-N 2 1 286.463 3.524 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000534758341 328360420 /nfs/dbraw/zinc/36/04/20/328360420.db2.gz YURUMEHRKCVCIL-MOPGFXCFSA-N 2 1 286.463 3.524 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccccc1Cl ZINC000049856211 328380284 /nfs/dbraw/zinc/38/02/84/328380284.db2.gz RGRJXPDKYNHSNC-ZIAGYGMSSA-N 2 1 280.843 3.865 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccccc1Cl ZINC000049856211 328380286 /nfs/dbraw/zinc/38/02/86/328380286.db2.gz RGRJXPDKYNHSNC-ZIAGYGMSSA-N 2 1 280.843 3.865 20 0 CHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc4ccccc43)CC[C@H]21 ZINC000531988606 328382914 /nfs/dbraw/zinc/38/29/14/328382914.db2.gz LLLHCOHOUZQLPK-UYAOXDASSA-N 2 1 294.442 3.756 20 0 CHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc4ccccc43)CC[C@H]21 ZINC000531988606 328382915 /nfs/dbraw/zinc/38/29/15/328382915.db2.gz LLLHCOHOUZQLPK-UYAOXDASSA-N 2 1 294.442 3.756 20 0 CHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc4ccccc43)CC[C@H]21 ZINC000531988606 328382917 /nfs/dbraw/zinc/38/29/17/328382917.db2.gz LLLHCOHOUZQLPK-UYAOXDASSA-N 2 1 294.442 3.756 20 0 CHADMP CCCc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc1 ZINC000170987464 328518728 /nfs/dbraw/zinc/51/87/28/328518728.db2.gz ICBLUSSPOAIOBC-UHFFFAOYSA-N 2 1 274.452 3.602 20 0 CHADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261585677 327004200 /nfs/dbraw/zinc/00/42/00/327004200.db2.gz INVMJKAUTSMPEA-JDTTZNEISA-N 2 1 299.245 3.724 20 0 CHADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261585677 327004201 /nfs/dbraw/zinc/00/42/01/327004201.db2.gz INVMJKAUTSMPEA-JDTTZNEISA-N 2 1 299.245 3.724 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC(C)(C)C2)[C@H](C)C1 ZINC000557828553 327029807 /nfs/dbraw/zinc/02/98/07/327029807.db2.gz WNKGUABHSUAYFY-OAGGEKHMSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@H](CCc1ccco1)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000569349598 327146150 /nfs/dbraw/zinc/14/61/50/327146150.db2.gz TXINMKVKWRQJNB-OAHLLOKOSA-N 2 1 278.440 3.503 20 0 CHADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000131310122 327161248 /nfs/dbraw/zinc/16/12/48/327161248.db2.gz RGXZUESOUPZFDT-UHFFFAOYSA-N 2 1 282.378 3.587 20 0 CHADMP FCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000569604163 327209364 /nfs/dbraw/zinc/20/93/64/327209364.db2.gz LOCQUJSFOLGDHU-KRWDZBQOSA-N 2 1 290.426 3.523 20 0 CHADMP FCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000569604163 327209365 /nfs/dbraw/zinc/20/93/65/327209365.db2.gz LOCQUJSFOLGDHU-KRWDZBQOSA-N 2 1 290.426 3.523 20 0 CHADMP CCC(CC)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000559721712 327258451 /nfs/dbraw/zinc/25/84/51/327258451.db2.gz HPXNUSWQZOWCKN-DLBZAZTESA-N 2 1 260.425 3.600 20 0 CHADMP CCC(CC)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000559721712 327258452 /nfs/dbraw/zinc/25/84/52/327258452.db2.gz HPXNUSWQZOWCKN-DLBZAZTESA-N 2 1 260.425 3.600 20 0 CHADMP Cc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000559732859 327258740 /nfs/dbraw/zinc/25/87/40/327258740.db2.gz AIKGWGKETQYMAW-VQTJNVASSA-N 2 1 294.442 3.920 20 0 CHADMP Cc1ccccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000559732859 327258741 /nfs/dbraw/zinc/25/87/41/327258741.db2.gz AIKGWGKETQYMAW-VQTJNVASSA-N 2 1 294.442 3.920 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]CC23CCC(CC2)C3)C[C@H]1c1ccccc1 ZINC000559788060 327261264 /nfs/dbraw/zinc/26/12/64/327261264.db2.gz BZHAYWCTFXIAOU-RTRUNKLESA-N 2 1 298.474 3.992 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC23CCC(CC2)C3)C[C@H]1c1ccccc1 ZINC000559788060 327261266 /nfs/dbraw/zinc/26/12/66/327261266.db2.gz BZHAYWCTFXIAOU-RTRUNKLESA-N 2 1 298.474 3.992 20 0 CHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCC[C@H]3F)CC2)C1 ZINC000559920473 327271861 /nfs/dbraw/zinc/27/18/61/327271861.db2.gz ZPSWHTJVTYNZGZ-DZUCGIPZSA-N 2 1 282.447 3.510 20 0 CHADMP CCC1CC([NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000560245060 327293061 /nfs/dbraw/zinc/29/30/61/327293061.db2.gz GULDSHAGCGVQBE-CLKYRPBMSA-N 2 1 292.492 3.909 20 0 CHADMP CCC1CC([NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000560245060 327293063 /nfs/dbraw/zinc/29/30/63/327293063.db2.gz GULDSHAGCGVQBE-CLKYRPBMSA-N 2 1 292.492 3.909 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000521943963 327313805 /nfs/dbraw/zinc/31/38/05/327313805.db2.gz ADGXVUULJWPJLO-INIZCTEOSA-N 2 1 278.484 3.811 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(Cl)cc1Cl ZINC000261571143 327353789 /nfs/dbraw/zinc/35/37/89/327353789.db2.gz KWIFSRHAWWMRIG-ISTVAULSSA-N 2 1 287.234 3.642 20 0 CHADMP CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261617658 327359637 /nfs/dbraw/zinc/35/96/37/327359637.db2.gz UFYLVRFYPWAYJS-PBHICJAKSA-N 2 1 260.425 3.542 20 0 CHADMP Cc1ccc([C@@H]([NH2+]CCC[NH2+]C(C)C)C2CCCC2)o1 ZINC000582175489 328608540 /nfs/dbraw/zinc/60/85/40/328608540.db2.gz WOVUGMSEMBJJRE-KRWDZBQOSA-N 2 1 278.440 3.797 20 0 CHADMP CC[C@H](C[NH2+][C@@H]1CCCc2ccccc21)[NH+]1CCCC1 ZINC000360071583 328903329 /nfs/dbraw/zinc/90/33/29/328903329.db2.gz LQXQPZPNWWDMAQ-SJLPKXTDSA-N 2 1 272.436 3.528 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377621157 329020994 /nfs/dbraw/zinc/02/09/94/329020994.db2.gz GPIRWPRBUFGQQL-HVVXOQGOSA-N 2 1 276.468 3.536 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377621157 329020995 /nfs/dbraw/zinc/02/09/95/329020995.db2.gz GPIRWPRBUFGQQL-HVVXOQGOSA-N 2 1 276.468 3.536 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000377621157 329020996 /nfs/dbraw/zinc/02/09/96/329020996.db2.gz GPIRWPRBUFGQQL-HVVXOQGOSA-N 2 1 276.468 3.536 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2ccccc2n1 ZINC000360038261 329070365 /nfs/dbraw/zinc/07/03/65/329070365.db2.gz UBRRFCATMJLZBB-XIRDDKMYSA-N 2 1 295.430 3.512 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2ccccc2n1 ZINC000360038261 329070366 /nfs/dbraw/zinc/07/03/66/329070366.db2.gz UBRRFCATMJLZBB-XIRDDKMYSA-N 2 1 295.430 3.512 20 0 CHADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C(F)F)cc1 ZINC000582573656 329109954 /nfs/dbraw/zinc/10/99/54/329109954.db2.gz RCICSWFUTPPVMW-UHFFFAOYSA-N 2 1 296.405 3.932 20 0 CHADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C(F)F)cc1 ZINC000582573656 329109956 /nfs/dbraw/zinc/10/99/56/329109956.db2.gz RCICSWFUTPPVMW-UHFFFAOYSA-N 2 1 296.405 3.932 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CCC1 ZINC000178233606 329194944 /nfs/dbraw/zinc/19/49/44/329194944.db2.gz KKESHEAPMYKGOJ-GJZGRUSLSA-N 2 1 292.492 3.738 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CCC1 ZINC000178233606 329194945 /nfs/dbraw/zinc/19/49/45/329194945.db2.gz KKESHEAPMYKGOJ-GJZGRUSLSA-N 2 1 292.492 3.738 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2)C(C)C)[C@H](C)C1 ZINC000469217848 329197979 /nfs/dbraw/zinc/19/79/79/329197979.db2.gz SOZZWNOAPPSWTG-QRQLOZEOSA-N 2 1 288.479 3.746 20 0 CHADMP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1sc(C)nc1C ZINC000178573387 329200889 /nfs/dbraw/zinc/20/08/89/329200889.db2.gz HISGQBXUGNUUMJ-CYBMUJFWSA-N 2 1 297.512 3.923 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000178704118 329202665 /nfs/dbraw/zinc/20/26/65/329202665.db2.gz PKZYVFYWBJBVBQ-RDTXWAMCSA-N 2 1 297.446 3.840 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000178703347 329202674 /nfs/dbraw/zinc/20/26/74/329202674.db2.gz DDQACFWAVNRUHC-ZBFHGGJFSA-N 2 1 285.435 3.795 20 0 CHADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3(CF)CCC3)CC2)C1 ZINC000583872745 329523187 /nfs/dbraw/zinc/52/31/87/329523187.db2.gz AVPYZLPBAYDBNY-GOEBONIOSA-N 2 1 282.447 3.511 20 0 CHADMP CCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)s1 ZINC000246953292 329873239 /nfs/dbraw/zinc/87/32/39/329873239.db2.gz HNAAZHSHGACBCJ-IACUBPJLSA-N 2 1 295.496 3.537 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCCCc1ccccc1 ZINC000162438513 330045760 /nfs/dbraw/zinc/04/57/60/330045760.db2.gz APSBMTLRAJVORJ-LMMKCTJWSA-N 2 1 288.479 3.718 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CCCCCOC2CCCCC2)CC[N@H+]1C ZINC000162688152 330109608 /nfs/dbraw/zinc/10/96/08/330109608.db2.gz OZFQVLSBSWAFEV-IRXDYDNUSA-N 2 1 296.499 3.578 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000379649925 330145822 /nfs/dbraw/zinc/14/58/22/330145822.db2.gz QGRVGXVFOKEJIT-LFZDHENXSA-N 2 1 298.474 3.818 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC000379649925 330145823 /nfs/dbraw/zinc/14/58/23/330145823.db2.gz QGRVGXVFOKEJIT-LFZDHENXSA-N 2 1 298.474 3.818 20 0 CHADMP CC(C)[C@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379652705 330145875 /nfs/dbraw/zinc/14/58/75/330145875.db2.gz XTVMYYGAGQSYDF-HOTGVXAUSA-N 2 1 262.441 3.531 20 0 CHADMP C[C@@H](CC[NH2+][C@@H](C)C1CCC1)[N@@H+](C)Cc1ccccc1 ZINC000379639764 330145919 /nfs/dbraw/zinc/14/59/19/330145919.db2.gz BATCKIYURAYLSJ-HOTGVXAUSA-N 2 1 274.452 3.675 20 0 CHADMP C[C@H](CC[NH2+][C@H](C)C1CCC1)[N@@H+](C)Cc1ccccc1 ZINC000379639766 330146127 /nfs/dbraw/zinc/14/61/27/330146127.db2.gz BATCKIYURAYLSJ-HZPDHXFCSA-N 2 1 274.452 3.675 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000379642885 330146298 /nfs/dbraw/zinc/14/62/98/330146298.db2.gz ANBHURLIYZGLAU-DOTOQJQBSA-N 2 1 274.452 3.675 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000379642885 330146300 /nfs/dbraw/zinc/14/63/00/330146300.db2.gz ANBHURLIYZGLAU-DOTOQJQBSA-N 2 1 274.452 3.675 20 0 CHADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1csc(Cl)c1 ZINC000423181305 330175542 /nfs/dbraw/zinc/17/55/42/330175542.db2.gz OSZOPYOZNFCKFH-JTQLQIEISA-N 2 1 272.845 3.714 20 0 CHADMP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1Cl ZINC000422749558 330153477 /nfs/dbraw/zinc/15/34/77/330153477.db2.gz ZRWKHCRYGHUXOJ-CKQIIDDLSA-N 2 1 292.854 3.910 20 0 CHADMP [NH3+][C@@H]1C[C@@H]([NH2+]C2(c3ccccc3)CCC2)c2ccccc21 ZINC000422924854 330160956 /nfs/dbraw/zinc/16/09/56/330160956.db2.gz AGIRFSRKQULLBU-QZTJIDSGSA-N 2 1 278.399 3.800 20 0 CHADMP c1ccc([C@@H]2C[C@@H]([NH2+]C3(c4ccccc4)CC3)CC[NH2+]2)cc1 ZINC000422943305 330161747 /nfs/dbraw/zinc/16/17/47/330161747.db2.gz XXAJKRKFVMJMQT-OALUTQOASA-N 2 1 292.426 3.759 20 0 CHADMP Cc1ccc(CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000422983680 330162732 /nfs/dbraw/zinc/16/27/32/330162732.db2.gz UNHBRZHRJVOEIC-PMACEKPBSA-N 2 1 294.442 3.620 20 0 CHADMP C[C@H](CCc1ccco1)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422968732 330164459 /nfs/dbraw/zinc/16/44/59/330164459.db2.gz XJGDYCJNVSBZFT-SZVBFZGTSA-N 2 1 298.430 3.684 20 0 CHADMP C(=C\c1ccccc1)\C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422972813 330164703 /nfs/dbraw/zinc/16/47/03/330164703.db2.gz AKFSUCSFSAISKM-RLZQMHOASA-N 2 1 292.426 3.783 20 0 CHADMP C[C@H]([NH2+]CC1(C)CCCCCC1)c1c[nH+]ccc1N ZINC000423025333 330166023 /nfs/dbraw/zinc/16/60/23/330166023.db2.gz LGDWIMBXDYTFLF-ZDUSSCGKSA-N 2 1 261.413 3.505 20 0 CHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cc2ccccc2s1 ZINC000423053233 330167531 /nfs/dbraw/zinc/16/75/31/330167531.db2.gz ABQBREFRPJTIKG-OBJOEFQTSA-N 2 1 274.433 3.692 20 0 CHADMP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)c2ccccc21 ZINC000423089018 330169128 /nfs/dbraw/zinc/16/91/28/330169128.db2.gz UGRTWOWLEYSMKX-IPMKNSEASA-N 2 1 296.389 3.938 20 0 CHADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000423100235 330170072 /nfs/dbraw/zinc/17/00/72/330170072.db2.gz UULZJGONPYYZOP-CYGHRXIMSA-N 2 1 272.436 3.506 20 0 CHADMP C[C@H](CCCC[NH3+])[NH2+]CC(F)(F)c1ccc(Cl)cc1 ZINC000423114306 330170721 /nfs/dbraw/zinc/17/07/21/330170721.db2.gz VDSBEESNEVTQNB-LLVKDONJSA-N 2 1 290.785 3.539 20 0 CHADMP Clc1cc2c(s1)CCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423132903 330171989 /nfs/dbraw/zinc/17/19/89/330171989.db2.gz PSHFVIIPDXEBAT-LMSJBEHQSA-N 2 1 296.867 3.652 20 0 CHADMP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423160114 330173672 /nfs/dbraw/zinc/17/36/72/330173672.db2.gz GXVMWCXNXLRXFL-LTIDMASMSA-N 2 1 258.409 3.546 20 0 CHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000423167811 330174249 /nfs/dbraw/zinc/17/42/49/330174249.db2.gz XGUJSAUTOQCHAR-IXDOHACOSA-N 2 1 296.524 3.516 20 0 CHADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1cccc(OC(F)F)c1 ZINC000423175075 330174681 /nfs/dbraw/zinc/17/46/81/330174681.db2.gz CVKWVBTZKDXQCQ-LBPRGKRZSA-N 2 1 298.377 3.600 20 0 CHADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1cccc(OC(F)F)c1 ZINC000423175074 330174690 /nfs/dbraw/zinc/17/46/90/330174690.db2.gz CVKWVBTZKDXQCQ-GFCCVEGCSA-N 2 1 298.377 3.600 20 0 CHADMP Cc1cc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)c(C)s1 ZINC000423174547 330174865 /nfs/dbraw/zinc/17/48/65/330174865.db2.gz AZEVNUXEXMKTRN-LBPRGKRZSA-N 2 1 266.454 3.677 20 0 CHADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1nccc2ccccc21 ZINC000423180446 330175536 /nfs/dbraw/zinc/17/55/36/330175536.db2.gz NRZWWNGWYQDPPZ-CQSZACIVSA-N 2 1 283.419 3.547 20 0 CHADMP CC[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccccc1F ZINC000423187558 330175690 /nfs/dbraw/zinc/17/56/90/330175690.db2.gz YEQFIHXQCMJCSZ-OAHLLOKOSA-N 2 1 264.388 3.528 20 0 CHADMP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423193963 330176389 /nfs/dbraw/zinc/17/63/89/330176389.db2.gz REGPZJDRQAWFDE-HUUCEWRRSA-N 2 1 299.462 3.566 20 0 CHADMP CC(C)Sc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000423264513 330184151 /nfs/dbraw/zinc/18/41/51/330184151.db2.gz CCUYOZMTEWARBQ-XJKSGUPXSA-N 2 1 280.481 3.821 20 0 CHADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1nccc2ccccc21 ZINC000423264732 330184169 /nfs/dbraw/zinc/18/41/69/330184169.db2.gz QHDWDHQMYKVONU-KDOFPFPSSA-N 2 1 297.446 3.793 20 0 CHADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423268595 330184333 /nfs/dbraw/zinc/18/43/33/330184333.db2.gz UVHADGCZFUMEBF-DGCLKSJQSA-N 2 1 283.485 3.599 20 0 CHADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423268597 330184437 /nfs/dbraw/zinc/18/44/37/330184437.db2.gz UVHADGCZFUMEBF-WCQYABFASA-N 2 1 283.485 3.599 20 0 CHADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cccs1 ZINC000423267851 330184525 /nfs/dbraw/zinc/18/45/25/330184525.db2.gz UBXHKLQQBWASQG-KBPBESRZSA-N 2 1 266.454 3.696 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000423281159 330185286 /nfs/dbraw/zinc/18/52/86/330185286.db2.gz ANYULCUSHRTIMQ-LBPRGKRZSA-N 2 1 290.407 3.610 20 0 CHADMP [NH3+]C[C@H]([NH2+][C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000423281317 330185374 /nfs/dbraw/zinc/18/53/74/330185374.db2.gz UGAIKEJKVSPSMJ-OIISXLGYSA-N 2 1 292.854 3.693 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1sc(C(C)C)nc1C ZINC000423280841 330185528 /nfs/dbraw/zinc/18/55/28/330185528.db2.gz AMRMOKNWFRQKQM-LLVKDONJSA-N 2 1 283.485 3.743 20 0 CHADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](c1ccccc1)c1ccccc1C ZINC000423283063 330185677 /nfs/dbraw/zinc/18/56/77/330185677.db2.gz WZZUFZUFHWGAAY-DNVCBOLYSA-N 2 1 282.431 3.530 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423283265 330185690 /nfs/dbraw/zinc/18/56/90/330185690.db2.gz FCCBAVMHBVGNJE-HNNXBMFYSA-N 2 1 297.446 3.917 20 0 CHADMP CC[C@H]([NH2+]CC([NH3+])(CC)CC)c1ccc(Cl)s1 ZINC000423283929 330185847 /nfs/dbraw/zinc/18/58/47/330185847.db2.gz FYSNMODHJHCISC-JTQLQIEISA-N 2 1 274.861 3.960 20 0 CHADMP COc1ccccc1-c1ccc([C@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000423289526 330186631 /nfs/dbraw/zinc/18/66/31/330186631.db2.gz XJPJZJNXUIMQJX-AWEZNQCLSA-N 2 1 298.430 3.750 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1csc(Cl)c1 ZINC000423290385 330186941 /nfs/dbraw/zinc/18/69/41/330186941.db2.gz ZXTUNNBWSSDSKA-SECBINFHSA-N 2 1 260.834 3.570 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CCC)c1ccsc1 ZINC000423297355 330188491 /nfs/dbraw/zinc/18/84/91/330188491.db2.gz JXSYIQOIPGCZDQ-KGLIPLIRSA-N 2 1 254.443 3.696 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(SC)c(F)c1 ZINC000423297361 330188708 /nfs/dbraw/zinc/18/87/08/330188708.db2.gz JXVYZNVRFCBJBL-YPMHNXCESA-N 2 1 284.444 3.716 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000423302844 330189005 /nfs/dbraw/zinc/18/90/05/330189005.db2.gz WBBJIBOPFPFNDX-RYSNWHEDSA-N 2 1 294.405 3.851 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000423303963 330189134 /nfs/dbraw/zinc/18/91/34/330189134.db2.gz XVDNLCWMCUIPPX-RCCFBDPRSA-N 2 1 274.452 3.505 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c2ccccc2)cc1 ZINC000423362255 330194003 /nfs/dbraw/zinc/19/40/03/330194003.db2.gz BBIYIVHXJWTPKC-PWIZWCRZSA-N 2 1 294.442 3.672 20 0 CHADMP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423396433 330195649 /nfs/dbraw/zinc/19/56/49/330195649.db2.gz UEEPZWHMWXDLLT-MBNYWOFBSA-N 2 1 296.842 3.530 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000423401844 330196292 /nfs/dbraw/zinc/19/62/92/330196292.db2.gz XNNXTWXFJHGQJS-FOGDFJRCSA-N 2 1 287.234 3.785 20 0 CHADMP Cc1cc2cc([C@H](C)[NH2+][C@@H]3CC[NH2+]C[C@H]3C)oc2cc1C ZINC000423406485 330196659 /nfs/dbraw/zinc/19/66/59/330196659.db2.gz UTCIEGJUOOBFMZ-IJEWVQPXSA-N 2 1 286.419 3.698 20 0 CHADMP CC(C)[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(Cl)cc1F ZINC000423405861 330196876 /nfs/dbraw/zinc/19/68/76/330196876.db2.gz UEKAVFUUAXMZSZ-RLCCDNCMSA-N 2 1 298.833 3.764 20 0 CHADMP Cc1cc2cc([C@H](C)[NH2+][C@@H]3CC[NH2+][C@@H](C)C3)oc2cc1C ZINC000423378602 330198831 /nfs/dbraw/zinc/19/88/31/330198831.db2.gz MHACFDQRZSDBRJ-OFQRWUPVSA-N 2 1 286.419 3.841 20 0 CHADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-c2ccc(F)cc2)s1 ZINC000423379868 330199000 /nfs/dbraw/zinc/19/90/00/330199000.db2.gz YAPWKMJOFUIHJN-QWRGUYRKSA-N 2 1 278.396 3.552 20 0 CHADMP C[C@@H]([NH2+][C@H](CC(C)(C)C)c1ccc(F)cc1)[C@H](C)[NH3+] ZINC000423432764 330201085 /nfs/dbraw/zinc/20/10/85/330201085.db2.gz BMJZCLRDJCALFT-YWPYICTPSA-N 2 1 266.404 3.628 20 0 CHADMP CC(C)Sc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000423447413 330202548 /nfs/dbraw/zinc/20/25/48/330202548.db2.gz OXNKEEAASZKYHD-UPJWGTAASA-N 2 1 266.454 3.573 20 0 CHADMP C[C@@H]([NH2+][C@@H](c1cc2ccccc2o1)C(C)(C)C)[C@H](C)[NH3+] ZINC000423449470 330202584 /nfs/dbraw/zinc/20/25/84/330202584.db2.gz RNAKHBREBQPDCZ-OZVIIMIRSA-N 2 1 274.408 3.845 20 0 CHADMP CCCCCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000423450694 330203005 /nfs/dbraw/zinc/20/30/05/330203005.db2.gz UAAWCTJZJIEXNH-KFWWJZLASA-N 2 1 278.440 3.642 20 0 CHADMP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000423452442 330203217 /nfs/dbraw/zinc/20/32/17/330203217.db2.gz WIFDXRAGGYLPSH-TUAOUCFPSA-N 2 1 289.448 3.505 20 0 CHADMP CC[C@@H]([NH3+])C[NH2+][C@@H](CC)c1ccc(Cl)c(Cl)c1 ZINC000423461102 330204076 /nfs/dbraw/zinc/20/40/76/330204076.db2.gz JJWKCKHIFZAWFE-MFKMUULPSA-N 2 1 275.223 3.771 20 0 CHADMP CC[C@@H]([NH3+])C[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1 ZINC000423465614 330204356 /nfs/dbraw/zinc/20/43/56/330204356.db2.gz MURSPONCDUXHSO-CABCVRRESA-N 2 1 266.816 3.508 20 0 CHADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000423469348 330204896 /nfs/dbraw/zinc/20/48/96/330204896.db2.gz OUVJNAVMNILBTR-AAEUAGOBSA-N 2 1 284.831 3.515 20 0 CHADMP Cc1nc([C@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)cs1 ZINC000423512163 330209413 /nfs/dbraw/zinc/20/94/13/330209413.db2.gz OFLMQZQYKCNDAJ-WFASDCNBSA-N 2 1 289.448 3.582 20 0 CHADMP COc1ccc([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c2ccccc12 ZINC000423570791 330212091 /nfs/dbraw/zinc/21/20/91/330212091.db2.gz XDBHTORJVSRSIG-CABCVRRESA-N 2 1 298.430 3.641 20 0 CHADMP C[C@@H](C[NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(F)cc1 ZINC000527116834 330223282 /nfs/dbraw/zinc/22/32/82/330223282.db2.gz LAUAPSUSCLHHEP-JKSUJKDBSA-N 2 1 292.442 3.783 20 0 CHADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccccc2F)C1 ZINC000536840171 330235687 /nfs/dbraw/zinc/23/56/87/330235687.db2.gz RMHFJZYMGFTWNO-HOTGVXAUSA-N 2 1 292.442 3.844 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccccc2F)C1 ZINC000536840171 330235689 /nfs/dbraw/zinc/23/56/89/330235689.db2.gz RMHFJZYMGFTWNO-HOTGVXAUSA-N 2 1 292.442 3.844 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000527222824 330238136 /nfs/dbraw/zinc/23/81/36/330238136.db2.gz AKCSOECUVUCGMV-LBPRGKRZSA-N 2 1 293.361 3.555 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@H](c2ccccc2)CC1 ZINC000527649824 330272110 /nfs/dbraw/zinc/27/21/10/330272110.db2.gz KOTFVLVOVGQMKE-RBUKOAKNSA-N 2 1 297.446 3.898 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CC2CC=CC2)CC[N@@H+]1Cc1ccccc1 ZINC000527743144 330279866 /nfs/dbraw/zinc/27/98/66/330279866.db2.gz FUUCWPLPVXHPIT-VQIMIIECSA-N 2 1 284.447 3.595 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CC2CC=CC2)CC[N@H+]1Cc1ccccc1 ZINC000527743144 330279868 /nfs/dbraw/zinc/27/98/68/330279868.db2.gz FUUCWPLPVXHPIT-VQIMIIECSA-N 2 1 284.447 3.595 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc(C)ccc1C ZINC000527864844 330285518 /nfs/dbraw/zinc/28/55/18/330285518.db2.gz KRELRPRXECQGKG-NUJGCVRESA-N 2 1 274.452 3.827 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(C)ccc1C ZINC000527864844 330285519 /nfs/dbraw/zinc/28/55/19/330285519.db2.gz KRELRPRXECQGKG-NUJGCVRESA-N 2 1 274.452 3.827 20 0 CHADMP CC(C)c1cccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000527850776 330288315 /nfs/dbraw/zinc/28/83/15/330288315.db2.gz NZTYWPYVYPCWRB-JKSUJKDBSA-N 2 1 286.463 3.945 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CC12CC2 ZINC000527872933 330290789 /nfs/dbraw/zinc/29/07/89/330290789.db2.gz UOPGUVLSLFUHNH-JFRXWTBNSA-N 2 1 298.474 3.818 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CC12CC2 ZINC000527872933 330290790 /nfs/dbraw/zinc/29/07/90/330290790.db2.gz UOPGUVLSLFUHNH-JFRXWTBNSA-N 2 1 298.474 3.818 20 0 CHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2CC=CC2)CC1 ZINC000527953054 330294623 /nfs/dbraw/zinc/29/46/23/330294623.db2.gz WNUCMDNIKNPSLT-UHFFFAOYSA-N 2 1 298.474 3.985 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000533072666 330326954 /nfs/dbraw/zinc/32/69/54/330326954.db2.gz WZBXYBBOSYBNBI-PKOBYXMFSA-N 2 1 288.479 3.774 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000533072666 330326955 /nfs/dbraw/zinc/32/69/55/330326955.db2.gz WZBXYBBOSYBNBI-PKOBYXMFSA-N 2 1 288.479 3.774 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000533072666 330326956 /nfs/dbraw/zinc/32/69/56/330326956.db2.gz WZBXYBBOSYBNBI-PKOBYXMFSA-N 2 1 288.479 3.774 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000044534436 330329872 /nfs/dbraw/zinc/32/98/72/330329872.db2.gz IJKIHVIUJMJNFI-BBRMVZONSA-N 2 1 280.843 3.723 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC000044535485 330329902 /nfs/dbraw/zinc/32/99/02/330329902.db2.gz NGYREZLSRVQVGD-IVMQYODDSA-N 2 1 286.463 3.644 20 0 CHADMP CC(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044535657 330330008 /nfs/dbraw/zinc/33/00/08/330330008.db2.gz JAXUZRCCVSXJBF-JKSUJKDBSA-N 2 1 274.452 3.802 20 0 CHADMP CC(C)Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534590 330330024 /nfs/dbraw/zinc/33/00/24/330330024.db2.gz FHZWOOBSUGIPED-AEFFLSMTSA-N 2 1 288.479 3.878 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(C(C)(C)C)cc1 ZINC000044534624 330330036 /nfs/dbraw/zinc/33/00/36/330330036.db2.gz BXEKIBGWIVEABJ-CVEARBPZSA-N 2 1 288.479 3.977 20 0 CHADMP CC(C)c1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000045041139 330337401 /nfs/dbraw/zinc/33/74/01/330337401.db2.gz GALXETAEKRUEOP-RVKKMQEKSA-N 2 1 274.452 3.628 20 0 CHADMP C[C@H]1CC2(C[N@H+]1Cc1cccc3ccccc31)CC[NH2+]CC2 ZINC000424302023 330337960 /nfs/dbraw/zinc/33/79/60/330337960.db2.gz YSXUMKSYQFODSX-INIZCTEOSA-N 2 1 294.442 3.804 20 0 CHADMP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424315516 330339297 /nfs/dbraw/zinc/33/92/97/330339297.db2.gz AAOCYNKKSBVRDM-GEALJGNFSA-N 2 1 298.474 3.675 20 0 CHADMP Cc1ccc2cc([C@H](C)[NH2+][C@@H]3CCCC[C@H]3[NH3+])oc2c1 ZINC000424370928 330348365 /nfs/dbraw/zinc/34/83/65/330348365.db2.gz FENNHKKDHAIRDS-NWANDNLSSA-N 2 1 272.392 3.662 20 0 CHADMP CC[NH+](CC)C[C@H](C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000045693794 330348710 /nfs/dbraw/zinc/34/87/10/330348710.db2.gz GHRQBOMHEPIGRA-HOTGVXAUSA-N 2 1 262.441 3.500 20 0 CHADMP Cc1cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)ccc1Cl ZINC000424378362 330348909 /nfs/dbraw/zinc/34/89/09/330348909.db2.gz NAHMLMKLDZMCFF-AWEZNQCLSA-N 2 1 292.854 3.612 20 0 CHADMP Cc1ccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1Cl ZINC000424384829 330349575 /nfs/dbraw/zinc/34/95/75/330349575.db2.gz VTVJEBVXKVAUOI-CQSZACIVSA-N 2 1 292.854 3.612 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCCC(C)(C)C ZINC000119512532 330375177 /nfs/dbraw/zinc/37/51/77/330375177.db2.gz QBUADLPCAWEPFD-RBSFLKMASA-N 2 1 254.462 3.521 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc(C)c1F ZINC000119732621 330377741 /nfs/dbraw/zinc/37/77/41/330377741.db2.gz DXTNYYPYWNBSBL-CQSZACIVSA-N 2 1 290.426 3.720 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+]C2CC(C)(C)C2)CC1 ZINC000433171544 330618842 /nfs/dbraw/zinc/61/88/42/330618842.db2.gz DWSLOGRHIKCNAT-UHFFFAOYSA-N 2 1 286.463 3.738 20 0 CHADMP c1[nH+]c(C2CC[NH+](CC3CCCC3)CC2)n2c1CCCC2 ZINC000434679940 330642834 /nfs/dbraw/zinc/64/28/34/330642834.db2.gz GKOVNKDNLCCPBB-UHFFFAOYSA-N 2 1 287.451 3.589 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000451178887 331018981 /nfs/dbraw/zinc/01/89/81/331018981.db2.gz BHEQNWQPYGTBEW-NEPXVJNWSA-N 2 1 286.463 3.737 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000451178887 331018982 /nfs/dbraw/zinc/01/89/82/331018982.db2.gz BHEQNWQPYGTBEW-NEPXVJNWSA-N 2 1 286.463 3.737 20 0 CHADMP CCC[C@H]([NH2+]CCCCn1cc[nH+]c1C)C(C)(C)C ZINC000451439023 331029638 /nfs/dbraw/zinc/02/96/38/331029638.db2.gz NRDQUIPRWYDRAW-HNNXBMFYSA-N 2 1 265.445 3.776 20 0 CHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)c1ccncc1 ZINC000453109223 331089921 /nfs/dbraw/zinc/08/99/21/331089921.db2.gz OZBJIXYUJPDBMY-LJQANCHMSA-N 2 1 297.446 3.774 20 0 CHADMP Cc1cccc(N2CCC([NH2+][C@H](C3CC3)C3CCC3)CC2)[nH+]1 ZINC000453116067 331090703 /nfs/dbraw/zinc/09/07/03/331090703.db2.gz HWRWPTWBYAPEBN-IBGZPJMESA-N 2 1 299.462 3.527 20 0 CHADMP C[C@H](CCc1ccsc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453398620 331128334 /nfs/dbraw/zinc/12/83/34/331128334.db2.gz KRQNFMFOCULWHA-CQSZACIVSA-N 2 1 280.481 3.533 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1nccc2ccccc21 ZINC000453402179 331128799 /nfs/dbraw/zinc/12/87/99/331128799.db2.gz NHEBYDGALNFRGY-OAHLLOKOSA-N 2 1 297.446 3.760 20 0 CHADMP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(C)cc1 ZINC000453403482 331129025 /nfs/dbraw/zinc/12/90/25/331129025.db2.gz ONEOSQBOBRMENO-SFHVURJKSA-N 2 1 274.452 3.910 20 0 CHADMP CC(C)[C@H]1CCCC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453404732 331129193 /nfs/dbraw/zinc/12/91/93/331129193.db2.gz PPDFDSBZWONCON-IAGOWNOFSA-N 2 1 266.473 3.665 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1)C1CC1 ZINC000453421019 331130654 /nfs/dbraw/zinc/13/06/54/331130654.db2.gz ZZWBJZQESZCXHA-RTBURBONSA-N 2 1 286.463 3.787 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)CC2CCC(F)(F)CC2)CC1 ZINC000459322196 331276022 /nfs/dbraw/zinc/27/60/22/331276022.db2.gz IAKJXUAPHOBTSB-UHFFFAOYSA-N 2 1 288.426 3.617 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCc2cccc(Cl)c2)C1 ZINC000459371339 331278661 /nfs/dbraw/zinc/27/86/61/331278661.db2.gz JIISOYIMYZJSJX-MRXNPFEDSA-N 2 1 294.870 3.546 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCc2cccc(Cl)c2)C1 ZINC000459371339 331278662 /nfs/dbraw/zinc/27/86/62/331278662.db2.gz JIISOYIMYZJSJX-MRXNPFEDSA-N 2 1 294.870 3.546 20 0 CHADMP c1ccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CCC2)cc1 ZINC000459401318 331280130 /nfs/dbraw/zinc/28/01/30/331280130.db2.gz LXCUPXDRIXMAFO-IBGZPJMESA-N 2 1 284.447 3.744 20 0 CHADMP Cc1cccc(C2([NH2+]C3CC[NH+](C4CC4)CC3)CCCC2)c1 ZINC000459465467 331282924 /nfs/dbraw/zinc/28/29/24/331282924.db2.gz NFNPRLDHEGXXDU-UHFFFAOYSA-N 2 1 298.474 3.981 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@]1(C)CCCC[C@@H]1C ZINC000459605685 331290374 /nfs/dbraw/zinc/29/03/74/331290374.db2.gz DKFIITYDKDMNRM-HOCLYGCPSA-N 2 1 263.429 3.530 20 0 CHADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459725011 331295945 /nfs/dbraw/zinc/29/59/45/331295945.db2.gz FMXHXVVFFNXICR-ULQDDVLXSA-N 2 1 274.452 3.500 20 0 CHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000459726833 331296105 /nfs/dbraw/zinc/29/61/05/331296105.db2.gz BVIOYAJEEHPROY-QRQLOZEOSA-N 2 1 286.463 3.644 20 0 CHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2csc3ccccc23)C1 ZINC000459730546 331296412 /nfs/dbraw/zinc/29/64/12/331296412.db2.gz KPGBVNFHKWTYCE-CQSZACIVSA-N 2 1 288.460 3.723 20 0 CHADMP Cc1ccc(C2CC([NH2+]CC[C@H]3CCC[N@H+](C)C3)C2)cc1 ZINC000459731708 331296551 /nfs/dbraw/zinc/29/65/51/331296551.db2.gz FQQPTUMAVFOBBN-IPJUCJBFSA-N 2 1 286.463 3.563 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000459735758 331296853 /nfs/dbraw/zinc/29/68/53/331296853.db2.gz POKLLAHPMDTXER-KBPBESRZSA-N 2 1 280.843 3.723 20 0 CHADMP CCCC[C@H](C)[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459772601 331300035 /nfs/dbraw/zinc/30/00/35/331300035.db2.gz IPNHXBOBKASZIM-JYJNAYRXSA-N 2 1 254.462 3.523 20 0 CHADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459774537 331300086 /nfs/dbraw/zinc/30/00/86/331300086.db2.gz JBRAXFKHFUSKDF-LSDHHAIUSA-N 2 1 294.870 3.593 20 0 CHADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459775993 331300297 /nfs/dbraw/zinc/30/02/97/331300297.db2.gz JTLRHKAIXDJQOW-GDBMZVCRSA-N 2 1 294.870 3.593 20 0 CHADMP Cc1ccc2[nH]c(C[NH2+]CC[C@H]3CCC[N@H+](C)C3)cc2c1C ZINC000459777314 331300376 /nfs/dbraw/zinc/30/03/76/331300376.db2.gz KPAWKSMAHKJOKU-MRXNPFEDSA-N 2 1 299.462 3.606 20 0 CHADMP C[C@@H](CCC(C)(C)C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459794430 331301390 /nfs/dbraw/zinc/30/13/90/331301390.db2.gz UTTHLPNOVJAULN-GJZGRUSLSA-N 2 1 254.462 3.523 20 0 CHADMP Cc1cc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1Cl ZINC000462806381 331329999 /nfs/dbraw/zinc/32/99/99/331329999.db2.gz WXPFZQRCBMPNDL-JJRVBVJISA-N 2 1 294.870 3.509 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2c3ccccc3CCC[C@@H]2C)CC1 ZINC000462837369 331332142 /nfs/dbraw/zinc/33/21/42/331332142.db2.gz GWCJRBIWISSLOR-KXBFYZLASA-N 2 1 286.463 3.774 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC23CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000463240095 331343769 /nfs/dbraw/zinc/34/37/69/331343769.db2.gz IWSHFBQSAOKGOI-NEWSRXKRSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC23CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000463240095 331343770 /nfs/dbraw/zinc/34/37/70/331343770.db2.gz IWSHFBQSAOKGOI-NEWSRXKRSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@H]1CCC12CCCC2 ZINC000474065839 331567214 /nfs/dbraw/zinc/56/72/14/331567214.db2.gz ZSHUCJJLFLGQRA-CVEARBPZSA-N 2 1 264.457 3.563 20 0 CHADMP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccccc1F ZINC000477922018 331694054 /nfs/dbraw/zinc/69/40/54/331694054.db2.gz YLIRCVBYTDHZNS-CQSZACIVSA-N 2 1 278.415 3.598 20 0 CHADMP CC(C)[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cc(F)ccc1F ZINC000479331472 331724911 /nfs/dbraw/zinc/72/49/11/331724911.db2.gz QZYAEPNCBGKODN-INIZCTEOSA-N 2 1 298.421 3.839 20 0 CHADMP C[C@@H]1C[C@@H]1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000488345886 332001258 /nfs/dbraw/zinc/00/12/58/332001258.db2.gz FLCXXOXLKYTLLD-PSBWJHGTSA-N 2 1 286.463 3.627 20 0 CHADMP C[C@@H]1C[C@@H]1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000488345886 332001259 /nfs/dbraw/zinc/00/12/59/332001259.db2.gz FLCXXOXLKYTLLD-PSBWJHGTSA-N 2 1 286.463 3.627 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000488345886 332001260 /nfs/dbraw/zinc/00/12/60/332001260.db2.gz FLCXXOXLKYTLLD-PSBWJHGTSA-N 2 1 286.463 3.627 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000488345886 332001261 /nfs/dbraw/zinc/00/12/61/332001261.db2.gz FLCXXOXLKYTLLD-PSBWJHGTSA-N 2 1 286.463 3.627 20 0 CHADMP c1ccc([C@@H]2CCC[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000488425224 332006868 /nfs/dbraw/zinc/00/68/68/332006868.db2.gz TXSMEDUKBCMXJE-MJGOQNOKSA-N 2 1 298.474 3.929 20 0 CHADMP C[C@@H]1C[C@H]1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000488444481 332009423 /nfs/dbraw/zinc/00/94/23/332009423.db2.gz HXISQZIPNFXFNF-QAPCUYQASA-N 2 1 298.430 3.657 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000488444479 332009457 /nfs/dbraw/zinc/00/94/57/332009457.db2.gz HXISQZIPNFXFNF-CRAIPNDOSA-N 2 1 298.430 3.657 20 0 CHADMP CC(C)C1CC([NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000488509294 332014793 /nfs/dbraw/zinc/01/47/93/332014793.db2.gz VNICXEPIQCPGOD-XNIRIUNOSA-N 2 1 278.484 3.664 20 0 CHADMP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000488839111 332028451 /nfs/dbraw/zinc/02/84/51/332028451.db2.gz MQXXAAFQBLDOAG-MRXNPFEDSA-N 2 1 298.474 3.797 20 0 CHADMP Cc1cc(-n2ccnc2)ccc1C[N@H+](C)C1(C)CCCC1 ZINC000489833648 332069671 /nfs/dbraw/zinc/06/96/71/332069671.db2.gz CDEKITGGUHAAKP-UHFFFAOYSA-N 2 1 283.419 3.945 20 0 CHADMP Cc1ccc([C@@H]2C[C@@H](C)[N@H+](CC[C@@H]3CCC[NH+]3C)C2)cc1 ZINC000490033633 332077474 /nfs/dbraw/zinc/07/74/74/332077474.db2.gz PYPDPMCFNMADKI-QRQLOZEOSA-N 2 1 286.463 3.657 20 0 CHADMP C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000490308788 332086566 /nfs/dbraw/zinc/08/65/66/332086566.db2.gz QUJDIJVHRMFNEC-KSSFIOAISA-N 2 1 295.430 3.839 20 0 CHADMP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000490308787 332086582 /nfs/dbraw/zinc/08/65/82/332086582.db2.gz QUJDIJVHRMFNEC-KDOFPFPSSA-N 2 1 295.430 3.839 20 0 CHADMP CC1CC[NH+](C[C@H]2CCC[N@H+]([C@H]3C=CCCC3)C2)CC1 ZINC000172190910 335096790 /nfs/dbraw/zinc/09/67/90/335096790.db2.gz VSALUWKASWTWLR-MSOLQXFVSA-N 2 1 276.468 3.539 20 0 CHADMP C[N@H+](C[C@H]1CC=CCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513462891 333021249 /nfs/dbraw/zinc/02/12/49/333021249.db2.gz YTEHANCYOYDULK-SFHVURJKSA-N 2 1 298.474 3.939 20 0 CHADMP C[N@@H+](C[C@H]1CC=CCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513462891 333021251 /nfs/dbraw/zinc/02/12/51/333021251.db2.gz YTEHANCYOYDULK-SFHVURJKSA-N 2 1 298.474 3.939 20 0 CHADMP CC(C)CC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CCC1 ZINC000513697429 333033262 /nfs/dbraw/zinc/03/32/62/333033262.db2.gz NNDXPTVZOQICAB-ZACQAIPSSA-N 2 1 278.484 3.665 20 0 CHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+]([C@H]4C=CCCC4)C[C@H]3C2)cc1 ZINC000309974946 333052003 /nfs/dbraw/zinc/05/20/03/333052003.db2.gz QHOAHJGMKNZEQS-ZCNNSNEGSA-N 2 1 296.458 3.549 20 0 CHADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+]([C@H]4C=CCCC4)C[C@H]3C2)cc1 ZINC000309974946 333052005 /nfs/dbraw/zinc/05/20/05/333052005.db2.gz QHOAHJGMKNZEQS-ZCNNSNEGSA-N 2 1 296.458 3.549 20 0 CHADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+]([C@H]4C=CCCC4)C[C@H]3C2)cc1 ZINC000309974946 333052006 /nfs/dbraw/zinc/05/20/06/333052006.db2.gz QHOAHJGMKNZEQS-ZCNNSNEGSA-N 2 1 296.458 3.549 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCC12CC2 ZINC000516787365 333082700 /nfs/dbraw/zinc/08/27/00/333082700.db2.gz UDDRGAZRHMJKOH-JKSUJKDBSA-N 2 1 264.457 3.563 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000336867472 335122504 /nfs/dbraw/zinc/12/25/04/335122504.db2.gz SLTHKBHWVZTZGO-UHFFFAOYSA-N 2 1 289.382 3.551 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CC=CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183102164 333119112 /nfs/dbraw/zinc/11/91/12/333119112.db2.gz LQSQOFQRMGBBTK-ULQDDVLXSA-N 2 1 276.468 3.585 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000219234682 333145032 /nfs/dbraw/zinc/14/50/32/333145032.db2.gz GPADXURDIJDRIU-RCBQFDQVSA-N 2 1 280.843 3.863 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000219234682 333145034 /nfs/dbraw/zinc/14/50/34/333145034.db2.gz GPADXURDIJDRIU-RCBQFDQVSA-N 2 1 280.843 3.863 20 0 CHADMP CC1(C)CC([NH2+]Cc2sccc2Cl)CC(C)(C)[NH2+]1 ZINC000192982960 333240988 /nfs/dbraw/zinc/24/09/88/333240988.db2.gz OHHLIBCECAPHTK-UHFFFAOYSA-N 2 1 286.872 3.800 20 0 CHADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000228150301 333295817 /nfs/dbraw/zinc/29/58/17/333295817.db2.gz WOYVXELLERAPPO-ZQIUZPCESA-N 2 1 260.425 3.540 20 0 CHADMP Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](CCCc3c[nH+]cn3C)C2)cc1 ZINC000575931929 335132989 /nfs/dbraw/zinc/13/29/89/335132989.db2.gz RWFRLGDCNRAZDY-SJLPKXTDSA-N 2 1 297.446 3.539 20 0 CHADMP Cc1ccc([C@@H]2C[C@@H](C)[N@H+](CCCc3c[nH+]cn3C)C2)cc1 ZINC000575931929 335132990 /nfs/dbraw/zinc/13/29/90/335132990.db2.gz RWFRLGDCNRAZDY-SJLPKXTDSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+](CC)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000037423451 333532901 /nfs/dbraw/zinc/53/29/01/333532901.db2.gz MLAUANBDPVSRAQ-UHFFFAOYSA-N 2 1 289.250 3.815 20 0 CHADMP FC(F)c1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000530287157 333537502 /nfs/dbraw/zinc/53/75/02/333537502.db2.gz CSNCVQFQBXJDNH-UHFFFAOYSA-N 2 1 294.389 3.731 20 0 CHADMP CC(C)[NH+](CC[NH2+]C1CCC(C(F)(F)F)CC1)C(C)C ZINC000068633989 333716925 /nfs/dbraw/zinc/71/69/25/333716925.db2.gz RGLCXXWGWNYLIY-UHFFFAOYSA-N 2 1 294.405 3.816 20 0 CHADMP CC(C)[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(Cl)cc1F ZINC000540988422 333756962 /nfs/dbraw/zinc/75/69/62/333756962.db2.gz JILHRMSSWWIKLZ-OAHLLOKOSA-N 2 1 286.822 3.718 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000130160526 333820555 /nfs/dbraw/zinc/82/05/55/333820555.db2.gz RRQNLSSNENOAML-GXTWGEPZSA-N 2 1 298.521 3.995 20 0 CHADMP C[C@@H](CC[NH2+][C@@H](C)c1cccc(F)c1)[NH+]1CCCCC1 ZINC000544374409 333927778 /nfs/dbraw/zinc/92/77/78/333927778.db2.gz MXJNCIMWFABEQU-GJZGRUSLSA-N 2 1 278.415 3.741 20 0 CHADMP CC(C)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000576213342 335171036 /nfs/dbraw/zinc/17/10/36/335171036.db2.gz QSOUMMTYOXJOHP-UHFFFAOYSA-N 2 1 274.452 3.675 20 0 CHADMP C(C1CCCCC1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134862547 334105955 /nfs/dbraw/zinc/10/59/55/334105955.db2.gz DQADZARDUDACJO-AEFFLSMTSA-N 2 1 276.468 3.515 20 0 CHADMP C(C1CCCCC1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134862547 334105956 /nfs/dbraw/zinc/10/59/56/334105956.db2.gz DQADZARDUDACJO-AEFFLSMTSA-N 2 1 276.468 3.515 20 0 CHADMP C(C1CCCCC1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134862547 334105957 /nfs/dbraw/zinc/10/59/57/334105957.db2.gz DQADZARDUDACJO-AEFFLSMTSA-N 2 1 276.468 3.515 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000136391096 334153825 /nfs/dbraw/zinc/15/38/25/334153825.db2.gz RVHPHEXMHNKFNF-LJQANCHMSA-N 2 1 297.446 3.635 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000136391096 334153827 /nfs/dbraw/zinc/15/38/27/334153827.db2.gz RVHPHEXMHNKFNF-LJQANCHMSA-N 2 1 297.446 3.635 20 0 CHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+]([C@H]2C=CCCCCC2)C1 ZINC000549464462 334194545 /nfs/dbraw/zinc/19/45/45/334194545.db2.gz CNLFKFZFGUWNIU-MSOLQXFVSA-N 2 1 276.468 3.539 20 0 CHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+]([C@@H]2C=CCCCCC2)C1 ZINC000549464465 334194729 /nfs/dbraw/zinc/19/47/29/334194729.db2.gz CNLFKFZFGUWNIU-ZWKOTPCHSA-N 2 1 276.468 3.539 20 0 CHADMP C1=C[C@@H]([N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCCCC1 ZINC000549464167 334194753 /nfs/dbraw/zinc/19/47/53/334194753.db2.gz LEAPTGPBWSVOGO-QZTJIDSGSA-N 2 1 276.468 3.826 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000245465720 334195339 /nfs/dbraw/zinc/19/53/39/334195339.db2.gz QJNPWOFFDXKXDS-DLBZAZTESA-N 2 1 274.452 3.849 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000081568198 334196952 /nfs/dbraw/zinc/19/69/52/334196952.db2.gz LVRADUGFSNRJIX-VQIMIIECSA-N 2 1 286.463 3.728 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](CC(C)C)c2cccs2)C1 ZINC000246947496 334272454 /nfs/dbraw/zinc/27/24/54/334272454.db2.gz HXWZUZZBHDYOGB-HUUCEWRRSA-N 2 1 280.481 3.767 20 0 CHADMP C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245732525 334215981 /nfs/dbraw/zinc/21/59/81/334215981.db2.gz WGEAPACDOQDUOH-ZTFGCOKTSA-N 2 1 290.426 3.693 20 0 CHADMP C[C@@H]1C[C@H](c2cccc(F)c2)[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000245732525 334215982 /nfs/dbraw/zinc/21/59/82/334215982.db2.gz WGEAPACDOQDUOH-ZTFGCOKTSA-N 2 1 290.426 3.693 20 0 CHADMP C[C@@H]1C[C@H](c2cccc(F)c2)[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000245732525 334215984 /nfs/dbraw/zinc/21/59/84/334215984.db2.gz WGEAPACDOQDUOH-ZTFGCOKTSA-N 2 1 290.426 3.693 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000550238883 334216990 /nfs/dbraw/zinc/21/69/90/334216990.db2.gz OEBKMCDJISWXFN-PBHICJAKSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000550238883 334216993 /nfs/dbraw/zinc/21/69/93/334216993.db2.gz OEBKMCDJISWXFN-PBHICJAKSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000550238883 334216994 /nfs/dbraw/zinc/21/69/94/334216994.db2.gz OEBKMCDJISWXFN-PBHICJAKSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000550238883 334216995 /nfs/dbraw/zinc/21/69/95/334216995.db2.gz OEBKMCDJISWXFN-PBHICJAKSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000550238883 334216996 /nfs/dbraw/zinc/21/69/96/334216996.db2.gz OEBKMCDJISWXFN-PBHICJAKSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2F)CC[N@@H+]1Cc1ccccc1 ZINC000550320910 334220189 /nfs/dbraw/zinc/22/01/89/334220189.db2.gz KLGDKVHTIXYVPM-LEUOFYLZSA-N 2 1 290.426 3.520 20 0 CHADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2F)CC[N@H+]1Cc1ccccc1 ZINC000550320910 334220191 /nfs/dbraw/zinc/22/01/91/334220191.db2.gz KLGDKVHTIXYVPM-LEUOFYLZSA-N 2 1 290.426 3.520 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccccc2C)[C@@H](C)C1 ZINC000247149526 334276556 /nfs/dbraw/zinc/27/65/56/334276556.db2.gz WYSNBCJZGXICCU-FUHWJXTLSA-N 2 1 288.479 3.593 20 0 CHADMP CC(C)[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550666563 334226552 /nfs/dbraw/zinc/22/65/52/334226552.db2.gz ZOHVYSOKAHWVNP-KBAYOESNSA-N 2 1 274.452 3.704 20 0 CHADMP CC(C)[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550666563 334226554 /nfs/dbraw/zinc/22/65/54/334226554.db2.gz ZOHVYSOKAHWVNP-KBAYOESNSA-N 2 1 274.452 3.704 20 0 CHADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247033639 334274398 /nfs/dbraw/zinc/27/43/98/334274398.db2.gz NSNOBHHMLOTPLY-JFIYKMOQSA-N 2 1 288.479 3.815 20 0 CHADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247033639 334274400 /nfs/dbraw/zinc/27/44/00/334274400.db2.gz NSNOBHHMLOTPLY-JFIYKMOQSA-N 2 1 288.479 3.815 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000551007210 334236191 /nfs/dbraw/zinc/23/61/91/334236191.db2.gz ZAUCTLHFJKHYHH-LULLPPNCSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000551007210 334236192 /nfs/dbraw/zinc/23/61/92/334236192.db2.gz ZAUCTLHFJKHYHH-LULLPPNCSA-N 2 1 286.463 3.990 20 0 CHADMP CCC(CC)C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551030097 334236567 /nfs/dbraw/zinc/23/65/67/334236567.db2.gz HNXWWSYZWVPDOT-MSOLQXFVSA-N 2 1 274.452 3.848 20 0 CHADMP CCC(CC)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551030097 334236568 /nfs/dbraw/zinc/23/65/68/334236568.db2.gz HNXWWSYZWVPDOT-MSOLQXFVSA-N 2 1 274.452 3.848 20 0 CHADMP CC1=CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000551266319 334243928 /nfs/dbraw/zinc/24/39/28/334243928.db2.gz ZWVOSERHOGTCPR-IBGZPJMESA-N 2 1 298.474 3.782 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CC(C(C)C)C(C)C)[C@H](C)C1 ZINC000551553296 334253893 /nfs/dbraw/zinc/25/38/93/334253893.db2.gz ZSPNEYWSGFTDTR-WBVHZDCISA-N 2 1 268.489 3.577 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CC(C(C)C)C(C)C)[C@H](C)C1 ZINC000551553296 334253894 /nfs/dbraw/zinc/25/38/94/334253894.db2.gz ZSPNEYWSGFTDTR-WBVHZDCISA-N 2 1 268.489 3.577 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CC(C(C)C)C(C)C)[C@H](C)C1 ZINC000551553296 334253895 /nfs/dbraw/zinc/25/38/95/334253895.db2.gz ZSPNEYWSGFTDTR-WBVHZDCISA-N 2 1 268.489 3.577 20 0 CHADMP CC[C@H](c1ccc(F)cc1F)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246766059 334269240 /nfs/dbraw/zinc/26/92/40/334269240.db2.gz GRATUCOPKOSWEC-SUMWQHHRSA-N 2 1 296.405 3.690 20 0 CHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc3ccccc3n2)C1 ZINC000247163595 334276783 /nfs/dbraw/zinc/27/67/83/334276783.db2.gz UGXWCCQDOBWNML-HZPDHXFCSA-N 2 1 297.446 3.617 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc3ccccc3n2)C1 ZINC000247163595 334276784 /nfs/dbraw/zinc/27/67/84/334276784.db2.gz UGXWCCQDOBWNML-HZPDHXFCSA-N 2 1 297.446 3.617 20 0 CHADMP CCCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000247171122 334276885 /nfs/dbraw/zinc/27/68/85/334276885.db2.gz UCWQFZIXAMWUEX-WMZOPIPTSA-N 2 1 274.452 3.771 20 0 CHADMP CCCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000247171122 334276886 /nfs/dbraw/zinc/27/68/86/334276886.db2.gz UCWQFZIXAMWUEX-WMZOPIPTSA-N 2 1 274.452 3.771 20 0 CHADMP CCCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247171122 334276887 /nfs/dbraw/zinc/27/68/87/334276887.db2.gz UCWQFZIXAMWUEX-WMZOPIPTSA-N 2 1 274.452 3.771 20 0 CHADMP CCCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247171122 334276888 /nfs/dbraw/zinc/27/68/88/334276888.db2.gz UCWQFZIXAMWUEX-WMZOPIPTSA-N 2 1 274.452 3.771 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000247165529 334277029 /nfs/dbraw/zinc/27/70/29/334277029.db2.gz YCXFRKNUXWNZQG-HRCADAONSA-N 2 1 294.508 3.984 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000247165529 334277031 /nfs/dbraw/zinc/27/70/31/334277031.db2.gz YCXFRKNUXWNZQG-HRCADAONSA-N 2 1 294.508 3.984 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccoc1 ZINC000247225169 334277612 /nfs/dbraw/zinc/27/76/12/334277612.db2.gz XYIVZDQAKMXNGZ-HUUCEWRRSA-N 2 1 264.413 3.585 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)CCc2ccccc2)C1 ZINC000247226822 334277659 /nfs/dbraw/zinc/27/76/59/334277659.db2.gz CZOVFVZLZGVSDF-MJGOQNOKSA-N 2 1 288.479 3.671 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)CCc2ccccc2)C1 ZINC000247226814 334277684 /nfs/dbraw/zinc/27/76/84/334277684.db2.gz CZOVFVZLZGVSDF-IEBWSBKVSA-N 2 1 288.479 3.671 20 0 CHADMP CC(C)CC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CCC1 ZINC000247231555 334278079 /nfs/dbraw/zinc/27/80/79/334278079.db2.gz XATFAQAYZVTNRD-HRCADAONSA-N 2 1 266.473 3.521 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2oc3ccccc3c2C)[C@@H](C)C1 ZINC000248139445 334295641 /nfs/dbraw/zinc/29/56/41/334295641.db2.gz PMHMNRLQDVCAGP-XJKSGUPXSA-N 2 1 286.419 3.561 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2oc3ccccc3c2C)[C@@H](C)C1 ZINC000248139445 334295642 /nfs/dbraw/zinc/29/56/42/334295642.db2.gz PMHMNRLQDVCAGP-XJKSGUPXSA-N 2 1 286.419 3.561 20 0 CHADMP C[C@H]([NH2+][C@H]1CCc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248397580 334300143 /nfs/dbraw/zinc/30/01/43/334300143.db2.gz IBMJUXDJSANWFL-VPWXQRGCSA-N 2 1 298.474 3.917 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248406664 334300385 /nfs/dbraw/zinc/30/03/85/334300385.db2.gz SRSNCUSBUFXBTA-VGWMRTNUSA-N 2 1 266.473 3.664 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(F)c(F)c2)C(C)C)C1 ZINC000248459377 334302902 /nfs/dbraw/zinc/30/29/02/334302902.db2.gz VPNVOHIPIUZNPO-GUYCJALGSA-N 2 1 296.405 3.593 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3ccccc32)[C@H]2CCC[C@H]21 ZINC000552248725 334308459 /nfs/dbraw/zinc/30/84/59/334308459.db2.gz QWCKWZYFQGGAGQ-HSALFYBXSA-N 2 1 294.442 3.802 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)C1 ZINC000248616598 334309019 /nfs/dbraw/zinc/30/90/19/334309019.db2.gz AQFFJIWHEYTYLJ-BPQIPLTHSA-N 2 1 286.463 3.500 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000552257372 334309572 /nfs/dbraw/zinc/30/95/72/334309572.db2.gz BYJLGUZZXTWHSE-UONOGXRCSA-N 2 1 298.421 3.606 20 0 CHADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)Cc1ccccc1 ZINC000248676040 334312691 /nfs/dbraw/zinc/31/26/91/334312691.db2.gz AFRAJUIRFMCMGE-NEWSRXKRSA-N 2 1 288.479 3.574 20 0 CHADMP CCCc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000249728270 334339600 /nfs/dbraw/zinc/33/96/00/334339600.db2.gz ZMQJQUDRPXGRNY-SNRMKQJTSA-N 2 1 286.463 3.917 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](Cc2ccccc2)C(C)C)C1 ZINC000249773834 334340175 /nfs/dbraw/zinc/34/01/75/334340175.db2.gz BZEVSBDEVZHCQV-RTBURBONSA-N 2 1 288.479 3.575 20 0 CHADMP Clc1cc2c(s1)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250772540 334349897 /nfs/dbraw/zinc/34/98/97/334349897.db2.gz NVVIDNJEPDJKDD-MDZLAQPJSA-N 2 1 296.867 3.605 20 0 CHADMP Clc1cc2c(s1)CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250772540 334349898 /nfs/dbraw/zinc/34/98/98/334349898.db2.gz NVVIDNJEPDJKDD-MDZLAQPJSA-N 2 1 296.867 3.605 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000251598199 334365313 /nfs/dbraw/zinc/36/53/13/334365313.db2.gz YSPNCVMOIQEYPU-ZIAGYGMSSA-N 2 1 280.843 3.723 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CC(C)(C)c2ccccc2)C1 ZINC000252440250 334380151 /nfs/dbraw/zinc/38/01/51/334380151.db2.gz YYVXTJHGSQVJDT-IAGOWNOFSA-N 2 1 288.479 3.674 20 0 CHADMP C[C@@H](CCc1ccccc1)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000553469637 334386987 /nfs/dbraw/zinc/38/69/87/334386987.db2.gz XOFPOWJRSZTSTF-PKOBYXMFSA-N 2 1 288.479 3.529 20 0 CHADMP C[C@@H](CCc1ccccc1)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000553469637 334386988 /nfs/dbraw/zinc/38/69/88/334386988.db2.gz XOFPOWJRSZTSTF-PKOBYXMFSA-N 2 1 288.479 3.529 20 0 CHADMP C[C@@H](CCc1ccccc1)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000553469637 334386989 /nfs/dbraw/zinc/38/69/89/334386989.db2.gz XOFPOWJRSZTSTF-PKOBYXMFSA-N 2 1 288.479 3.529 20 0 CHADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cc3c(s2)CCCC3)c2ccccc21 ZINC000564824762 334522463 /nfs/dbraw/zinc/52/24/63/334522463.db2.gz VBBNATBAMAZMOZ-SJORKVTESA-N 2 1 298.455 3.861 20 0 CHADMP CC(C)[NH2+]CCC[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000567639517 334745044 /nfs/dbraw/zinc/74/50/44/334745044.db2.gz XMIQAOZCHMUJBS-HNNXBMFYSA-N 2 1 296.842 3.531 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cccc(C)c1C ZINC000165626339 334900673 /nfs/dbraw/zinc/90/06/73/334900673.db2.gz AIZPWAZHZWPSNF-OAHLLOKOSA-N 2 1 271.408 3.549 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccccc1)CC(C)(C)C ZINC000577506532 335361473 /nfs/dbraw/zinc/36/14/73/335361473.db2.gz ZGLLCUWPQCBHGC-UHFFFAOYSA-N 2 1 299.462 3.901 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccccc1)CC(C)(C)C ZINC000577506532 335361475 /nfs/dbraw/zinc/36/14/75/335361475.db2.gz ZGLLCUWPQCBHGC-UHFFFAOYSA-N 2 1 299.462 3.901 20 0 CHADMP Cc1cccc(C)c1[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000578733247 335667674 /nfs/dbraw/zinc/66/76/74/335667674.db2.gz KBWSIKKVZKVVKI-OAHLLOKOSA-N 2 1 272.436 3.581 20 0 CHADMP CCC[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccccn1 ZINC000184501055 335927439 /nfs/dbraw/zinc/92/74/39/335927439.db2.gz JDCGLMATYOOJHK-DLBZAZTESA-N 2 1 289.467 3.777 20 0 CHADMP Cc1cnccc1CC[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000581308055 336044954 /nfs/dbraw/zinc/04/49/54/336044954.db2.gz STVWYKXAEBZDSW-ZDUSSCGKSA-N 2 1 290.357 3.904 20 0 CHADMP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000581437061 336077580 /nfs/dbraw/zinc/07/75/80/336077580.db2.gz YHBQGIHTQFITJB-STQMWFEESA-N 2 1 289.810 3.624 20 0 CHADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000581556043 336102333 /nfs/dbraw/zinc/10/23/33/336102333.db2.gz LPSHBFBRJCKJOS-OALUTQOASA-N 2 1 297.446 3.669 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CC34CCCC4)CC2)cc1 ZINC000387385126 336193377 /nfs/dbraw/zinc/19/33/77/336193377.db2.gz ZBIJCQVETNWGRX-SFHVURJKSA-N 2 1 284.447 3.573 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000347060931 533770070 /nfs/dbraw/zinc/77/00/70/533770070.db2.gz YCTHGSJOWHAGQT-KBPBESRZSA-N 2 1 280.843 3.516 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000347060933 533770420 /nfs/dbraw/zinc/77/04/20/533770420.db2.gz YCTHGSJOWHAGQT-UONOGXRCSA-N 2 1 280.843 3.516 20 0 CHADMP C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000354827961 534058482 /nfs/dbraw/zinc/05/84/82/534058482.db2.gz HCZJHYPSYYXKDE-CKEIUWERSA-N 2 1 290.426 3.618 20 0 CHADMP C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000354827961 534058485 /nfs/dbraw/zinc/05/84/85/534058485.db2.gz HCZJHYPSYYXKDE-CKEIUWERSA-N 2 1 290.426 3.618 20 0 CHADMP C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000354827961 534058489 /nfs/dbraw/zinc/05/84/89/534058489.db2.gz HCZJHYPSYYXKDE-CKEIUWERSA-N 2 1 290.426 3.618 20 0 CHADMP C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000354827961 534058494 /nfs/dbraw/zinc/05/84/94/534058494.db2.gz HCZJHYPSYYXKDE-CKEIUWERSA-N 2 1 290.426 3.618 20 0 CHADMP CSc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000353656401 534202314 /nfs/dbraw/zinc/20/23/14/534202314.db2.gz RAAIEMQLSLWEFU-MRXNPFEDSA-N 2 1 292.492 3.715 20 0 CHADMP CSc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000353656401 534202333 /nfs/dbraw/zinc/20/23/33/534202333.db2.gz RAAIEMQLSLWEFU-MRXNPFEDSA-N 2 1 292.492 3.715 20 0 CHADMP CSc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000353656401 534202336 /nfs/dbraw/zinc/20/23/36/534202336.db2.gz RAAIEMQLSLWEFU-MRXNPFEDSA-N 2 1 292.492 3.715 20 0 CHADMP CSc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000353656401 534202341 /nfs/dbraw/zinc/20/23/41/534202341.db2.gz RAAIEMQLSLWEFU-MRXNPFEDSA-N 2 1 292.492 3.715 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](C)c2ccccc2)CC1 ZINC000265364584 519669828 /nfs/dbraw/zinc/66/98/28/519669828.db2.gz YFCRTHZNEXXPAY-INIZCTEOSA-N 2 1 274.452 3.595 20 0 CHADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2nccc3ccccc32)CC1 ZINC000290664144 519673366 /nfs/dbraw/zinc/67/33/66/519673366.db2.gz KVLPBYXJHIXBOV-HNNXBMFYSA-N 2 1 297.446 3.758 20 0 CHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccccc2F)C1 ZINC000125718958 519676265 /nfs/dbraw/zinc/67/62/65/519676265.db2.gz PXNFCIIAOOYWLG-GJZGRUSLSA-N 2 1 278.415 3.597 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccccc2F)C1 ZINC000125718958 519676267 /nfs/dbraw/zinc/67/62/67/519676267.db2.gz PXNFCIIAOOYWLG-GJZGRUSLSA-N 2 1 278.415 3.597 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC000125946474 519676876 /nfs/dbraw/zinc/67/68/76/519676876.db2.gz UFIIKVQODBVLKB-GJZGRUSLSA-N 2 1 278.415 3.597 20 0 CHADMP CC(C)[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000276720983 519820720 /nfs/dbraw/zinc/82/07/20/519820720.db2.gz WQCZMCLKMHTJEN-INIZCTEOSA-N 2 1 291.826 3.603 20 0 CHADMP CC(C)c1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000037248475 519839172 /nfs/dbraw/zinc/83/91/72/519839172.db2.gz UHQQPOFXCJEPRC-CQSZACIVSA-N 2 1 260.425 3.555 20 0 CHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2nccc3ccccc32)C1 ZINC000289661147 519863652 /nfs/dbraw/zinc/86/36/52/519863652.db2.gz IRKIQUVPHQNJMC-JKSUJKDBSA-N 2 1 297.446 3.617 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2nccc3ccccc32)C1 ZINC000289661147 519863653 /nfs/dbraw/zinc/86/36/53/519863653.db2.gz IRKIQUVPHQNJMC-JKSUJKDBSA-N 2 1 297.446 3.617 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1nccc2ccccc21 ZINC000289971544 520624254 /nfs/dbraw/zinc/62/42/54/520624254.db2.gz XJIVEDVWHAZBSI-OAHLLOKOSA-N 2 1 285.435 3.617 20 0 CHADMP Cc1ccc2[nH+]ccc(N3CCC(c4[nH]cc[nH+]4)CC3)c2c1 ZINC000354524842 534521909 /nfs/dbraw/zinc/52/19/09/534521909.db2.gz VBHBRLBMUOUGGN-UHFFFAOYSA-N 2 1 292.386 3.650 20 0 CHADMP CCSCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340380001 521704830 /nfs/dbraw/zinc/70/48/30/521704830.db2.gz BGQHFTMLSTZXIN-IAGOWNOFSA-N 2 1 292.492 3.555 20 0 CHADMP CCSCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340380001 521704832 /nfs/dbraw/zinc/70/48/32/521704832.db2.gz BGQHFTMLSTZXIN-IAGOWNOFSA-N 2 1 292.492 3.555 20 0 CHADMP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cc2ccccc2s1 ZINC000339414815 522312002 /nfs/dbraw/zinc/31/20/02/522312002.db2.gz BBMAETKPCYXYSH-UHFFFAOYSA-N 2 1 297.427 3.652 20 0 CHADMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CC[C@@](C)(c4ccccc4)C3)C2)C1 ZINC000292810265 523995492 /nfs/dbraw/zinc/99/54/92/523995492.db2.gz OQBHQDWFKPPIHP-ZCNNSNEGSA-N 2 1 298.474 3.524 20 0 CHADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CC[C@@](C)(c4ccccc4)C3)C2)C1 ZINC000292810265 523995497 /nfs/dbraw/zinc/99/54/97/523995497.db2.gz OQBHQDWFKPPIHP-ZCNNSNEGSA-N 2 1 298.474 3.524 20 0 CHADMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CC[C@@](C)(c4ccccc4)C3)C2)C1 ZINC000292810265 523995500 /nfs/dbraw/zinc/99/55/00/523995500.db2.gz OQBHQDWFKPPIHP-ZCNNSNEGSA-N 2 1 298.474 3.524 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000036958468 524024154 /nfs/dbraw/zinc/02/41/54/524024154.db2.gz BFXGQWLJEYUBIY-TZUVLKIQSA-N 2 1 272.436 3.525 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000130144998 524027481 /nfs/dbraw/zinc/02/74/81/524027481.db2.gz SWPJMDRTXBSCHN-ZTFGCOKTSA-N 2 1 272.436 3.526 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000353241940 534769561 /nfs/dbraw/zinc/76/95/61/534769561.db2.gz GVIACPQVFNYJDB-CYBMUJFWSA-N 2 1 299.409 3.775 20 0 CHADMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1C ZINC000278908368 524329484 /nfs/dbraw/zinc/32/94/84/524329484.db2.gz GNBHRXHDQXALKF-SJORKVTESA-N 2 1 297.446 3.722 20 0 CHADMP Cc1ccc(C[N@H+](CC[C@H]2CCC[NH+]2C)C(C)C)s1 ZINC000340369516 524414109 /nfs/dbraw/zinc/41/41/09/524414109.db2.gz MXMQYQQWVPCXCN-OAHLLOKOSA-N 2 1 280.481 3.751 20 0 CHADMP Cc1ccc(C[NH+](CC[C@H]2CCC[N@@H+]2C)C(C)C)s1 ZINC000340369516 524414116 /nfs/dbraw/zinc/41/41/16/524414116.db2.gz MXMQYQQWVPCXCN-OAHLLOKOSA-N 2 1 280.481 3.751 20 0 CHADMP Cc1ccc(C[NH+](CC[C@H]2CCC[N@H+]2C)C(C)C)s1 ZINC000340369516 524414123 /nfs/dbraw/zinc/41/41/23/524414123.db2.gz MXMQYQQWVPCXCN-OAHLLOKOSA-N 2 1 280.481 3.751 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)CC[N@@H+]1C ZINC000280965810 525448915 /nfs/dbraw/zinc/44/89/15/525448915.db2.gz KXRYBUDIOXOPTD-LFVTVUPYSA-N 2 1 290.426 3.534 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)CC[N@H+]1C ZINC000280965810 525448918 /nfs/dbraw/zinc/44/89/18/525448918.db2.gz KXRYBUDIOXOPTD-LFVTVUPYSA-N 2 1 290.426 3.534 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1csc(Cl)c1 ZINC000279054123 525486372 /nfs/dbraw/zinc/48/63/72/525486372.db2.gz YHKUNUXTCDOAHU-MNOVXSKESA-N 2 1 295.839 3.511 20 0 CHADMP CSc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1 ZINC000337213792 526060629 /nfs/dbraw/zinc/06/06/29/526060629.db2.gz DFFMKBJVWNKXDF-UKRRQHHQSA-N 2 1 278.465 3.543 20 0 CHADMP c1[nH+]c(C2CC[NH+]([C@@H]3C=CCCC3)CC2)n2c1CCCC2 ZINC000278741644 526595781 /nfs/dbraw/zinc/59/57/81/526595781.db2.gz AERLGQFQZXZDLN-MRXNPFEDSA-N 2 1 285.435 3.508 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1ccccc1C ZINC000127312345 527411053 /nfs/dbraw/zinc/41/10/53/527411053.db2.gz DGNJPEQATFBBFA-OAHLLOKOSA-N 2 1 271.408 3.583 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1ccccc1C ZINC000127312345 527411057 /nfs/dbraw/zinc/41/10/57/527411057.db2.gz DGNJPEQATFBBFA-OAHLLOKOSA-N 2 1 271.408 3.583 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000275615124 527424032 /nfs/dbraw/zinc/42/40/32/527424032.db2.gz RKRBRUQDIMFXOC-MOPGFXCFSA-N 2 1 297.446 3.583 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C(F)F)c2)C[C@@H]1C ZINC000348057843 527836530 /nfs/dbraw/zinc/83/65/30/527836530.db2.gz UESBDFCYUIVEII-BBRMVZONSA-N 2 1 296.405 3.929 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C(F)F)c2)C[C@@H]1C ZINC000348057843 527836535 /nfs/dbraw/zinc/83/65/35/527836535.db2.gz UESBDFCYUIVEII-BBRMVZONSA-N 2 1 296.405 3.929 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C(F)F)c2)C[C@@H]1C ZINC000348057843 527836539 /nfs/dbraw/zinc/83/65/39/527836539.db2.gz UESBDFCYUIVEII-BBRMVZONSA-N 2 1 296.405 3.929 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C(F)F)c2)C[C@@H]1C ZINC000348057843 527836543 /nfs/dbraw/zinc/83/65/43/527836543.db2.gz UESBDFCYUIVEII-BBRMVZONSA-N 2 1 296.405 3.929 20 0 CHADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352828402 528869577 /nfs/dbraw/zinc/86/95/77/528869577.db2.gz UZKYWNZPGOMMLF-HIFRSBDPSA-N 2 1 295.496 3.653 20 0 CHADMP CCC[C@@H](C)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192923325 528878393 /nfs/dbraw/zinc/87/83/93/528878393.db2.gz GQEZWCLBMHIOFB-AEFFLSMTSA-N 2 1 274.452 3.534 20 0 CHADMP CC1(C)CCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192930269 528970617 /nfs/dbraw/zinc/97/06/17/528970617.db2.gz NOWSEDUHSGJZLE-MSOLQXFVSA-N 2 1 286.463 3.677 20 0 CHADMP CC1(C)CCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192930256 528993520 /nfs/dbraw/zinc/99/35/20/528993520.db2.gz NOWSEDUHSGJZLE-ZWKOTPCHSA-N 2 1 286.463 3.677 20 0 CHADMP CC[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc(F)cc1F ZINC000341854498 535905418 /nfs/dbraw/zinc/90/54/18/535905418.db2.gz CMMCCCLWUYGRPQ-YOEHRIQHSA-N 2 1 296.405 3.880 20 0 CHADMP CC[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(F)cc1F ZINC000341854498 535905421 /nfs/dbraw/zinc/90/54/21/535905421.db2.gz CMMCCCLWUYGRPQ-YOEHRIQHSA-N 2 1 296.405 3.880 20 0 CHADMP C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623506839 1117863723 /nfs/dbraw/zinc/86/37/23/1117863723.db2.gz JJFCHHWJSHAFKU-NWDGAFQWSA-N 2 1 280.378 3.570 20 0 CHADMP C[C@@H](C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C)C(F)(F)F ZINC001208891722 1117952883 /nfs/dbraw/zinc/95/28/83/1117952883.db2.gz LATPWRYRVBLGHV-IHRRRGAJSA-N 2 1 292.389 3.524 20 0 CHADMP C[C@@H](C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C)C(F)(F)F ZINC001208891722 1117952886 /nfs/dbraw/zinc/95/28/86/1117952886.db2.gz LATPWRYRVBLGHV-IHRRRGAJSA-N 2 1 292.389 3.524 20 0 CHADMP CCC[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1cccs1 ZINC000086818932 1118399074 /nfs/dbraw/zinc/39/90/74/1118399074.db2.gz KTOJMQRFGBMGBM-ZIAGYGMSSA-N 2 1 266.454 3.663 20 0 CHADMP C[N@@H+](CCC[NH2+][C@@H]1CCCSCC1)C1CCCCC1 ZINC000657829945 1119480420 /nfs/dbraw/zinc/48/04/20/1119480420.db2.gz JOLAQKUXTLJIOX-OAHLLOKOSA-N 2 1 284.513 3.516 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)o1 ZINC000359869556 1125498642 /nfs/dbraw/zinc/49/86/42/1125498642.db2.gz INNAYANMQOCDDP-OAHLLOKOSA-N 2 1 287.407 3.573 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)o1 ZINC000359869556 1125498639 /nfs/dbraw/zinc/49/86/39/1125498639.db2.gz INNAYANMQOCDDP-OAHLLOKOSA-N 2 1 287.407 3.573 20 0 CHADMP C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658228163 1119706608 /nfs/dbraw/zinc/70/66/08/1119706608.db2.gz GWBROEXVWBQEPI-QWHCGFSZSA-N 2 1 292.389 3.714 20 0 CHADMP C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658228163 1119706610 /nfs/dbraw/zinc/70/66/10/1119706610.db2.gz GWBROEXVWBQEPI-QWHCGFSZSA-N 2 1 292.389 3.714 20 0 CHADMP C[NH2+]C[C@@H]1CCC[N@H+](C2CCC(C(C)(C)C)CC2)C1 ZINC000040591888 1120069959 /nfs/dbraw/zinc/06/99/59/1120069959.db2.gz CEZUEMZKRVJSFC-FHERZECASA-N 2 1 266.473 3.523 20 0 CHADMP CC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCCCC1 ZINC000394612695 1120589166 /nfs/dbraw/zinc/58/91/66/1120589166.db2.gz SVNYJNUUHIOLFP-CVEARBPZSA-N 2 1 264.457 3.563 20 0 CHADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]CCCC(C)C)C1 ZINC001177833660 1121752659 /nfs/dbraw/zinc/75/26/59/1121752659.db2.gz BXZSLCBVZQDKQO-INIZCTEOSA-N 2 1 268.489 3.913 20 0 CHADMP CCN1CCC([N@@H+](C)Cc2c(C)cc(Cl)cc2C)CC1 ZINC000506691653 1122807059 /nfs/dbraw/zinc/80/70/59/1122807059.db2.gz XUBTYIMQDOVUBF-UHFFFAOYSA-N 2 1 294.870 3.873 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1CCCC(F)(F)F ZINC001202432874 1123210845 /nfs/dbraw/zinc/21/08/45/1123210845.db2.gz ABVBIQUVAJONOY-UONOGXRCSA-N 2 1 292.389 3.668 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CCCC(F)(F)F ZINC001202432874 1123210847 /nfs/dbraw/zinc/21/08/47/1123210847.db2.gz ABVBIQUVAJONOY-UONOGXRCSA-N 2 1 292.389 3.668 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1CCCC(F)(F)F ZINC001202432874 1123210849 /nfs/dbraw/zinc/21/08/49/1123210849.db2.gz ABVBIQUVAJONOY-UONOGXRCSA-N 2 1 292.389 3.668 20 0 CHADMP C[C@@H]1C[C@H](C)[N@H+](CCCCC[NH+]2C[C@@H](C)C[C@H]2C)C1 ZINC000532575001 1125416128 /nfs/dbraw/zinc/41/61/28/1125416128.db2.gz MVTMJUIXPGLJSD-ZYGGUILKSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@@H]1C[C@H](C)[N@@H+](CCCCC[NH+]2C[C@@H](C)C[C@H]2C)C1 ZINC000532575001 1125416131 /nfs/dbraw/zinc/41/61/31/1125416131.db2.gz MVTMJUIXPGLJSD-ZYGGUILKSA-N 2 1 266.473 3.617 20 0 CHADMP CCC(C)(C)C1CCC([N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246584199 1131688610 /nfs/dbraw/zinc/68/86/10/1131688610.db2.gz ICIYRPDXBWEPBS-SSHXOBKSSA-N 2 1 284.463 3.743 20 0 CHADMP CCC(C)(C)C1CCC([N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246584199 1131688613 /nfs/dbraw/zinc/68/86/13/1131688613.db2.gz ICIYRPDXBWEPBS-SSHXOBKSSA-N 2 1 284.463 3.743 20 0 CHADMP CCCC1CCC([N@H+]2CCC[C@@]23CCC[NH2+]C3)CC1 ZINC001246605718 1131714017 /nfs/dbraw/zinc/71/40/17/1131714017.db2.gz CJLOGFOYQOCRSW-OFLPRAFFSA-N 2 1 264.457 3.563 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCC1CCCC1)C2 ZINC001172107339 1132130891 /nfs/dbraw/zinc/13/08/91/1132130891.db2.gz VLIVDXAHQNVLLQ-OSYLJGHBSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@@H](CSc1ccc(Cl)cc1)[NH2+]C1CC[NH+](C)CC1 ZINC001172870941 1132350893 /nfs/dbraw/zinc/35/08/93/1132350893.db2.gz NBPNAOKYGRHJBQ-LBPRGKRZSA-N 2 1 298.883 3.504 20 0 CHADMP CCC[N@@H+](Cc1cc(F)cc(C[NH+](C)C)c1)[C@H](C)CC ZINC001232143466 1132428457 /nfs/dbraw/zinc/42/84/57/1132428457.db2.gz FFPNKGAHHSFNRW-CQSZACIVSA-N 2 1 280.431 3.898 20 0 CHADMP CCC[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)[C@H]1CC1(C)C ZINC001206537763 1133714869 /nfs/dbraw/zinc/71/48/69/1133714869.db2.gz NSUSTXDBJLSSHK-CVEARBPZSA-N 2 1 268.489 3.769 20 0 CHADMP C[C@H](C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)C(F)(F)F ZINC001208893595 1133959061 /nfs/dbraw/zinc/95/90/61/1133959061.db2.gz LDBNBPUVLKPUHW-ZIAGYGMSSA-N 2 1 292.389 3.525 20 0 CHADMP C[C@H](C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)C(F)(F)F ZINC001208893595 1133959066 /nfs/dbraw/zinc/95/90/66/1133959066.db2.gz LDBNBPUVLKPUHW-ZIAGYGMSSA-N 2 1 292.389 3.525 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000348309617 1125519276 /nfs/dbraw/zinc/51/92/76/1125519276.db2.gz AWPQUGDMZIOUEB-NRSFXHEJSA-N 2 1 290.426 3.520 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC000348309617 1125519281 /nfs/dbraw/zinc/51/92/81/1125519281.db2.gz AWPQUGDMZIOUEB-NRSFXHEJSA-N 2 1 290.426 3.520 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cccc2cc[nH]c21 ZINC000237671423 1125567522 /nfs/dbraw/zinc/56/75/22/1125567522.db2.gz WOKMNFYLPCETFZ-MRXNPFEDSA-N 2 1 299.462 3.912 20 0 CHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000105457297 1125568330 /nfs/dbraw/zinc/56/83/30/1125568330.db2.gz MRNHSZIKCMPQIX-HLLBOEOZSA-N 2 1 290.451 3.613 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000105457297 1125568334 /nfs/dbraw/zinc/56/83/34/1125568334.db2.gz MRNHSZIKCMPQIX-HLLBOEOZSA-N 2 1 290.451 3.613 20 0 CHADMP CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245706443 1125591074 /nfs/dbraw/zinc/59/10/74/1125591074.db2.gz MOTHUWPVZFFOBT-NNZMDNLPSA-N 2 1 272.436 3.572 20 0 CHADMP c1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)co1 ZINC000245748988 1125593587 /nfs/dbraw/zinc/59/35/87/1125593587.db2.gz SZIWEBQEJQLNTJ-LDLYASANSA-N 2 1 296.414 3.565 20 0 CHADMP c1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)co1 ZINC000245748988 1125593591 /nfs/dbraw/zinc/59/35/91/1125593591.db2.gz SZIWEBQEJQLNTJ-LDLYASANSA-N 2 1 296.414 3.565 20 0 CHADMP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000247018940 1125651423 /nfs/dbraw/zinc/65/14/23/1125651423.db2.gz MSGIAXJWMOTIMG-OFQRWUPVSA-N 2 1 265.445 3.632 20 0 CHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC(C)(C)Cc3occc32)C1 ZINC000247253232 1125655474 /nfs/dbraw/zinc/65/54/74/1125655474.db2.gz ZUPJRJLMWGMVEI-ZBFHGGJFSA-N 2 1 290.451 3.615 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CC(C)(C)Cc3occc32)C1 ZINC000247253232 1125655477 /nfs/dbraw/zinc/65/54/77/1125655477.db2.gz ZUPJRJLMWGMVEI-ZBFHGGJFSA-N 2 1 290.451 3.615 20 0 CHADMP CC(C)C1([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886615257 1125698727 /nfs/dbraw/zinc/69/87/27/1125698727.db2.gz BQGCQFMSFYAELL-FHWLQOOXSA-N 2 1 298.474 3.818 20 0 CHADMP C[C@H](Cc1cccc(F)c1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000221810397 1125750556 /nfs/dbraw/zinc/75/05/56/1125750556.db2.gz JDTUUQPCXMYRMN-CVEARBPZSA-N 2 1 292.442 3.611 20 0 CHADMP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000262020647 1125750964 /nfs/dbraw/zinc/75/09/64/1125750964.db2.gz NCKMHNRHMOYXRN-CZUORRHYSA-N 2 1 295.496 3.567 20 0 CHADMP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000262020647 1125750971 /nfs/dbraw/zinc/75/09/71/1125750971.db2.gz NCKMHNRHMOYXRN-CZUORRHYSA-N 2 1 295.496 3.567 20 0 CHADMP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000262020640 1125751534 /nfs/dbraw/zinc/75/15/34/1125751534.db2.gz NCKMHNRHMOYXRN-BBRMVZONSA-N 2 1 295.496 3.567 20 0 CHADMP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000262020640 1125751540 /nfs/dbraw/zinc/75/15/40/1125751540.db2.gz NCKMHNRHMOYXRN-BBRMVZONSA-N 2 1 295.496 3.567 20 0 CHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C1CCCC1 ZINC000093257090 1125767544 /nfs/dbraw/zinc/76/75/44/1125767544.db2.gz SVWRDQXPBWMGSP-UHFFFAOYSA-N 2 1 287.451 3.563 20 0 CHADMP CCCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638321086 1129253690 /nfs/dbraw/zinc/25/36/90/1129253690.db2.gz UZDXZGOSFBIMPQ-WMZOPIPTSA-N 2 1 272.436 3.744 20 0 CHADMP CCCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638321086 1129253691 /nfs/dbraw/zinc/25/36/91/1129253691.db2.gz UZDXZGOSFBIMPQ-WMZOPIPTSA-N 2 1 272.436 3.744 20 0 CHADMP CC(C)CCC[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001170070892 1130140477 /nfs/dbraw/zinc/14/04/77/1130140477.db2.gz ZSGYEZKXIGYXQU-PMPSAXMXSA-N 2 1 254.462 3.664 20 0 CHADMP CC(C)CCC[C@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001170088186 1130202005 /nfs/dbraw/zinc/20/20/05/1130202005.db2.gz PAEORZAFWCRKPM-INIZCTEOSA-N 2 1 266.473 3.619 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667929274 1126706480 /nfs/dbraw/zinc/70/64/80/1126706480.db2.gz VXQQKWRJBPQXKL-AYOQOUSVSA-N 2 1 286.463 3.805 20 0 CHADMP c1ccc(CCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134874059 1126704726 /nfs/dbraw/zinc/70/47/26/1126704726.db2.gz YCHJWKMOKIIZQZ-UYAOXDASSA-N 2 1 298.474 3.568 20 0 CHADMP c1ccc(CCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134874059 1126704728 /nfs/dbraw/zinc/70/47/28/1126704728.db2.gz YCHJWKMOKIIZQZ-UYAOXDASSA-N 2 1 298.474 3.568 20 0 CHADMP c1ccc(CCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134874059 1126704731 /nfs/dbraw/zinc/70/47/31/1126704731.db2.gz YCHJWKMOKIIZQZ-UYAOXDASSA-N 2 1 298.474 3.568 20 0 CHADMP c1ccc(CCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134874059 1126704733 /nfs/dbraw/zinc/70/47/33/1126704733.db2.gz YCHJWKMOKIIZQZ-UYAOXDASSA-N 2 1 298.474 3.568 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000338012961 1126710522 /nfs/dbraw/zinc/71/05/22/1126710522.db2.gz CCUSXLPAZWQZSL-KSSFIOAISA-N 2 1 283.419 3.810 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CCC1CCCC1 ZINC000338013460 1126710855 /nfs/dbraw/zinc/71/08/55/1126710855.db2.gz RWSVGZYLJXKQPW-CQSZACIVSA-N 2 1 263.429 3.530 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC000338017557 1126711329 /nfs/dbraw/zinc/71/13/29/1126711329.db2.gz NUKJSPHDUVEVSV-OAHLLOKOSA-N 2 1 271.408 3.549 20 0 CHADMP CC[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CCC[NH+](C)CC1 ZINC001254525652 1130262182 /nfs/dbraw/zinc/26/21/82/1130262182.db2.gz KKDZNOVDGYPKAO-INIZCTEOSA-N 2 1 280.843 3.646 20 0 CHADMP CC[NH+](Cc1ccc(Cl)cc1)[C@H]1CCC[N@H+](C)CC1 ZINC001254525652 1130262187 /nfs/dbraw/zinc/26/21/87/1130262187.db2.gz KKDZNOVDGYPKAO-INIZCTEOSA-N 2 1 280.843 3.646 20 0 CHADMP CC[NH+](Cc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254525652 1130262190 /nfs/dbraw/zinc/26/21/90/1130262190.db2.gz KKDZNOVDGYPKAO-INIZCTEOSA-N 2 1 280.843 3.646 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(-c2ccccc2)o1 ZINC000481955692 1126735822 /nfs/dbraw/zinc/73/58/22/1126735822.db2.gz WXFCLZTXXPWFSU-LSDHHAIUSA-N 2 1 286.419 3.937 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)Cc2ccccc2)C[C@@H]1C ZINC000481993688 1126739162 /nfs/dbraw/zinc/73/91/62/1126739162.db2.gz UUYRMAMWJUISKS-LNLFQRSKSA-N 2 1 288.479 3.670 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)Cc2ccccc2)C[C@@H]1C ZINC000481993688 1126739165 /nfs/dbraw/zinc/73/91/65/1126739165.db2.gz UUYRMAMWJUISKS-LNLFQRSKSA-N 2 1 288.479 3.670 20 0 CHADMP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c1C ZINC000482330895 1126751418 /nfs/dbraw/zinc/75/14/18/1126751418.db2.gz JCTTXEGTVKHEGL-FZKQIMNGSA-N 2 1 299.462 3.523 20 0 CHADMP CC[NH+](C/C=C\C[N@H+](CC)CC1CCC1)CC1CCC1 ZINC000483123807 1126769454 /nfs/dbraw/zinc/76/94/54/1126769454.db2.gz FVNGNHXPCRWCDM-WAYWQWQTSA-N 2 1 278.484 3.787 20 0 CHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC000483220810 1126774064 /nfs/dbraw/zinc/77/40/64/1126774064.db2.gz POMKVFMTTZKJDM-GOSISDBHSA-N 2 1 278.484 3.621 20 0 CHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC000483220810 1126774065 /nfs/dbraw/zinc/77/40/65/1126774065.db2.gz POMKVFMTTZKJDM-GOSISDBHSA-N 2 1 278.484 3.621 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000178701925 1126818180 /nfs/dbraw/zinc/81/81/80/1126818180.db2.gz YVOGGFTXRLNRLT-STQMWFEESA-N 2 1 291.826 3.832 20 0 CHADMP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc(Cl)nc1 ZINC000179097304 1126823261 /nfs/dbraw/zinc/82/32/61/1126823261.db2.gz FYACLFJTEGCTNX-AWEZNQCLSA-N 2 1 295.858 3.508 20 0 CHADMP CC(C)CC[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001256366976 1130625561 /nfs/dbraw/zinc/62/55/61/1130625561.db2.gz USMNQGPPZMABPE-JYJNAYRXSA-N 2 1 254.462 3.520 20 0 CHADMP CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904337048 1126844987 /nfs/dbraw/zinc/84/49/87/1126844987.db2.gz ZESOYSQJTHXLJO-TXEJJXNPSA-N 2 1 287.234 3.553 20 0 CHADMP Fc1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)ccc1C(F)F ZINC000904359104 1126847838 /nfs/dbraw/zinc/84/78/38/1126847838.db2.gz ZLKMTKDPUVGMKA-LBPRGKRZSA-N 2 1 298.352 3.528 20 0 CHADMP Cc1cccnc1[C@H]([NH2+][C@@H](C)C[C@H]1CCC[NH2+]1)C(C)(C)C ZINC000904469244 1126853455 /nfs/dbraw/zinc/85/34/55/1126853455.db2.gz KGULSZZDUDHECV-UXLLHSPISA-N 2 1 289.467 3.597 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252414184 1126853486 /nfs/dbraw/zinc/85/34/86/1126853486.db2.gz HKBYCUANVVGAQY-CGTJXYLNSA-N 2 1 290.426 3.741 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cc2ccccc2o1 ZINC000182623977 1126874841 /nfs/dbraw/zinc/87/48/41/1126874841.db2.gz VGAKTEKVPJDQCS-ZFWWWQNUSA-N 2 1 272.392 3.568 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cc2ccccc2o1 ZINC000182623977 1126874845 /nfs/dbraw/zinc/87/48/45/1126874845.db2.gz VGAKTEKVPJDQCS-ZFWWWQNUSA-N 2 1 272.392 3.568 20 0 CHADMP CCC[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1cccnc1 ZINC000184972606 1126896907 /nfs/dbraw/zinc/89/69/07/1126896907.db2.gz MDTUJTJGZGIJFY-GOSISDBHSA-N 2 1 289.467 3.633 20 0 CHADMP CCC[NH+]1CCC([NH2+]Cc2cccc(CSC)c2)CC1 ZINC000188725500 1126925389 /nfs/dbraw/zinc/92/53/89/1126925389.db2.gz LEPSBPXFBAONNW-UHFFFAOYSA-N 2 1 292.492 3.514 20 0 CHADMP CCCC[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000906529977 1126956815 /nfs/dbraw/zinc/95/68/15/1126956815.db2.gz UXTOAVJDIBPVOK-HIFRSBDPSA-N 2 1 266.454 3.521 20 0 CHADMP CCCC[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000906529977 1126956818 /nfs/dbraw/zinc/95/68/18/1126956818.db2.gz UXTOAVJDIBPVOK-HIFRSBDPSA-N 2 1 266.454 3.521 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cccc(O)c1 ZINC000194852214 1126976610 /nfs/dbraw/zinc/97/66/10/1126976610.db2.gz IKAXWSXHDYYZTD-CVEARBPZSA-N 2 1 290.451 3.697 20 0 CHADMP CC(C)[NH+](CCC[NH2+][C@@H](C)c1cccc(O)c1)C(C)C ZINC000194906731 1126977948 /nfs/dbraw/zinc/97/79/48/1126977948.db2.gz WHZKRCIWLBKEIF-HNNXBMFYSA-N 2 1 278.440 3.552 20 0 CHADMP C[NH+](C)[C@@H](CNc1cc[nH+]cc1Cl)c1ccsc1 ZINC000267366297 1126997705 /nfs/dbraw/zinc/99/77/05/1126997705.db2.gz IYYLXTCJJNGPHV-ZDUSSCGKSA-N 2 1 281.812 3.511 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000268866590 1127026632 /nfs/dbraw/zinc/02/66/32/1127026632.db2.gz NWPIFAXJHPBSFV-MOPGFXCFSA-N 2 1 297.446 3.583 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000269137022 1127035225 /nfs/dbraw/zinc/03/52/25/1127035225.db2.gz UATVRJKGFYKWOJ-HNNXBMFYSA-N 2 1 271.408 3.583 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000269137022 1127035227 /nfs/dbraw/zinc/03/52/27/1127035227.db2.gz UATVRJKGFYKWOJ-HNNXBMFYSA-N 2 1 271.408 3.583 20 0 CHADMP C[C@H]1C[C@@H]([N@@H+](C)CC2CCC2)CCN1Cc1ccccc1 ZINC000488006713 1127051698 /nfs/dbraw/zinc/05/16/98/1127051698.db2.gz GRMOARPSEXNRDI-LPHOPBHVSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)CC2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000488006713 1127051702 /nfs/dbraw/zinc/05/17/02/1127051702.db2.gz GRMOARPSEXNRDI-LPHOPBHVSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)CC2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000488006713 1127051706 /nfs/dbraw/zinc/05/17/06/1127051706.db2.gz GRMOARPSEXNRDI-LPHOPBHVSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@H]1C[C@@H]([N@H+](C)CC2CCC2)CC[NH+]1Cc1ccccc1 ZINC000488006713 1127051710 /nfs/dbraw/zinc/05/17/10/1127051710.db2.gz GRMOARPSEXNRDI-LPHOPBHVSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@H]1C[C@@H]([N@@H+](C)CC2CCC2)CC[NH+]1Cc1ccccc1 ZINC000488006713 1127051712 /nfs/dbraw/zinc/05/17/12/1127051712.db2.gz GRMOARPSEXNRDI-LPHOPBHVSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@H]1C[C@H]1c1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)o1 ZINC000271217258 1127073544 /nfs/dbraw/zinc/07/35/44/1127073544.db2.gz XYKREUOXDKGQKV-SWLSCSKDSA-N 2 1 285.391 3.506 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC=CCC1 ZINC000271435475 1127080976 /nfs/dbraw/zinc/08/09/76/1127080976.db2.gz CNCRRIXRMCOWTA-NZSAHSFTSA-N 2 1 284.447 3.595 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC=CCC1 ZINC000271435475 1127080977 /nfs/dbraw/zinc/08/09/77/1127080977.db2.gz CNCRRIXRMCOWTA-NZSAHSFTSA-N 2 1 284.447 3.595 20 0 CHADMP Cc1ccc2c(C)cc(N3CCC([NH2+]C(C)C)CC3)[nH+]c2c1 ZINC000274112145 1127107663 /nfs/dbraw/zinc/10/76/63/1127107663.db2.gz YQBMNHAWYGTLGG-UHFFFAOYSA-N 2 1 297.446 3.818 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(Cl)o1 ZINC000349158190 1127141795 /nfs/dbraw/zinc/14/17/95/1127141795.db2.gz ZQTBDHIETVLAPE-UHFFFAOYSA-N 2 1 295.814 3.604 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(Cl)o1 ZINC000349158190 1127141797 /nfs/dbraw/zinc/14/17/97/1127141797.db2.gz ZQTBDHIETVLAPE-UHFFFAOYSA-N 2 1 295.814 3.604 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(-c2ccccn2)c1 ZINC000349380930 1127150284 /nfs/dbraw/zinc/15/02/84/1127150284.db2.gz GJLBTSLDEKQLPM-UHFFFAOYSA-N 2 1 297.446 3.522 20 0 CHADMP CCCC1CCC([NH2+]CC[N@H+](CC)C(C)C)CC1 ZINC000588179726 1127181402 /nfs/dbraw/zinc/18/14/02/1127181402.db2.gz FWVCHUKVKXCNET-UHFFFAOYSA-N 2 1 254.462 3.665 20 0 CHADMP CCCC1CCC([NH2+]CC[N@@H+](CC)C(C)C)CC1 ZINC000588179726 1127181405 /nfs/dbraw/zinc/18/14/05/1127181405.db2.gz FWVCHUKVKXCNET-UHFFFAOYSA-N 2 1 254.462 3.665 20 0 CHADMP CC1(C)CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000157573800 1127185193 /nfs/dbraw/zinc/18/51/93/1127185193.db2.gz DRSPGFJXWDYWST-HRCADAONSA-N 2 1 264.457 3.562 20 0 CHADMP CC[NH+](CC)CCC[N@H+](C)Cc1ccc(Cl)cc1 ZINC000351350320 1127188313 /nfs/dbraw/zinc/18/83/13/1127188313.db2.gz JRMZAQIYIITEET-UHFFFAOYSA-N 2 1 268.832 3.504 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000351350320 1127188317 /nfs/dbraw/zinc/18/83/17/1127188317.db2.gz JRMZAQIYIITEET-UHFFFAOYSA-N 2 1 268.832 3.504 20 0 CHADMP Cc1sccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000351813360 1127210321 /nfs/dbraw/zinc/21/03/21/1127210321.db2.gz QZZFOUCGPNQHND-RDJZCZTQSA-N 2 1 290.476 3.505 20 0 CHADMP Cc1sccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000351813360 1127210323 /nfs/dbraw/zinc/21/03/23/1127210323.db2.gz QZZFOUCGPNQHND-RDJZCZTQSA-N 2 1 290.476 3.505 20 0 CHADMP CC(C)(C)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000572886888 1127228764 /nfs/dbraw/zinc/22/87/64/1127228764.db2.gz GGJCWZDIAIDPBI-IBGZPJMESA-N 2 1 286.463 3.631 20 0 CHADMP CC(C)(C)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000572886888 1127228766 /nfs/dbraw/zinc/22/87/66/1127228766.db2.gz GGJCWZDIAIDPBI-IBGZPJMESA-N 2 1 286.463 3.631 20 0 CHADMP CC(C)(C)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000572886888 1127228768 /nfs/dbraw/zinc/22/87/68/1127228768.db2.gz GGJCWZDIAIDPBI-IBGZPJMESA-N 2 1 286.463 3.631 20 0 CHADMP Cc1ccnc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000285472524 1127229844 /nfs/dbraw/zinc/22/98/44/1127229844.db2.gz AXWCMCKSJQGELK-DLBZAZTESA-N 2 1 289.467 3.695 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)CCCCF)CC[N@@H+]1Cc1ccccc1 ZINC000286612468 1127270364 /nfs/dbraw/zinc/27/03/64/1127270364.db2.gz YLGSUEVCQUZDCS-AEFFLSMTSA-N 2 1 292.442 3.721 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)CCCCF)CC[N@H+]1Cc1ccccc1 ZINC000286612468 1127270366 /nfs/dbraw/zinc/27/03/66/1127270366.db2.gz YLGSUEVCQUZDCS-AEFFLSMTSA-N 2 1 292.442 3.721 20 0 CHADMP C[C@@H]1C[C@@H]([N@H+](C)CCCCF)CC[NH+]1Cc1ccccc1 ZINC000286612468 1127270368 /nfs/dbraw/zinc/27/03/68/1127270368.db2.gz YLGSUEVCQUZDCS-AEFFLSMTSA-N 2 1 292.442 3.721 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCCF)CC[NH+]1Cc1ccccc1 ZINC000286612468 1127270370 /nfs/dbraw/zinc/27/03/70/1127270370.db2.gz YLGSUEVCQUZDCS-AEFFLSMTSA-N 2 1 292.442 3.721 20 0 CHADMP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000354312592 1127302462 /nfs/dbraw/zinc/30/24/62/1127302462.db2.gz SAJGQNVCERJRRI-YALNPMBYSA-N 2 1 277.456 3.632 20 0 CHADMP Cc1oc2ccccc2c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000355215373 1127325720 /nfs/dbraw/zinc/32/57/20/1127325720.db2.gz ZDTYUMDFQTWFLG-QAPCUYQASA-N 2 1 298.430 3.657 20 0 CHADMP Cc1oc2ccccc2c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000355215373 1127325722 /nfs/dbraw/zinc/32/57/22/1127325722.db2.gz ZDTYUMDFQTWFLG-QAPCUYQASA-N 2 1 298.430 3.657 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000355215373 1127325725 /nfs/dbraw/zinc/32/57/25/1127325725.db2.gz ZDTYUMDFQTWFLG-QAPCUYQASA-N 2 1 298.430 3.657 20 0 CHADMP CC[C@H](C[NH2+][C@@H](C)CCCC(F)(F)F)[NH+]1CCCC1 ZINC000480241384 1127363793 /nfs/dbraw/zinc/36/37/93/1127363793.db2.gz MYTFZLOZVMYBPF-QWHCGFSZSA-N 2 1 280.378 3.572 20 0 CHADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000480693538 1127379410 /nfs/dbraw/zinc/37/94/10/1127379410.db2.gz CMFXHXBQHMDPLF-UONOGXRCSA-N 2 1 294.405 3.962 20 0 CHADMP CC[C@H](CN[C@@H](C)c1ccccc1C)[NH+]1CCCC1 ZINC000480791182 1127381896 /nfs/dbraw/zinc/38/18/96/1127381896.db2.gz ZSSKEXGZKDXIMM-JKSUJKDBSA-N 2 1 260.425 3.520 20 0 CHADMP CC[C@H](C[NH2+][C@@H](C)c1ccccc1C)[NH+]1CCCC1 ZINC000480791182 1127381900 /nfs/dbraw/zinc/38/19/00/1127381900.db2.gz ZSSKEXGZKDXIMM-JKSUJKDBSA-N 2 1 260.425 3.520 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CC2(OC)CCCCCC2)C[C@@H]1C ZINC001308568863 1127392682 /nfs/dbraw/zinc/39/26/82/1127392682.db2.gz FNNVDWGUWWPUEW-IRXDYDNUSA-N 2 1 296.499 3.530 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CC2(OC)CCCCCC2)C[C@@H]1C ZINC001308568863 1127392686 /nfs/dbraw/zinc/39/26/86/1127392686.db2.gz FNNVDWGUWWPUEW-IRXDYDNUSA-N 2 1 296.499 3.530 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2(OC)CCCCCC2)C[C@@H]1C ZINC001308568863 1127392689 /nfs/dbraw/zinc/39/26/89/1127392689.db2.gz FNNVDWGUWWPUEW-IRXDYDNUSA-N 2 1 296.499 3.530 20 0 CHADMP CCC1(C[NH2+]Cc2c[nH+]ccc2N(C)C)CCCCC1 ZINC000358146348 1127404480 /nfs/dbraw/zinc/40/44/80/1127404480.db2.gz WWOLXQXJNHBWLY-UHFFFAOYSA-N 2 1 275.440 3.598 20 0 CHADMP CC[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(F)ccc1F ZINC000358158495 1127405152 /nfs/dbraw/zinc/40/51/52/1127405152.db2.gz QCGMAKUFDSWFKL-ZQIUZPCESA-N 2 1 294.389 3.632 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2(C)CC2)cc1 ZINC000358185986 1127407036 /nfs/dbraw/zinc/40/70/36/1127407036.db2.gz IAAYKJJWLPCLPI-ZDUSSCGKSA-N 2 1 269.392 3.631 20 0 CHADMP C[N@@H+](CCSc1ccc(Cl)cc1)[C@H]1CCC[NH2+]CC1 ZINC000358339738 1127416205 /nfs/dbraw/zinc/41/62/05/1127416205.db2.gz YMCCNKLOADKUOW-AWEZNQCLSA-N 2 1 298.883 3.506 20 0 CHADMP CC/C=C/CC[NH+]1CCC(C[N@H+](C)CCCC)CC1 ZINC000466833803 1127435847 /nfs/dbraw/zinc/43/58/47/1127435847.db2.gz HYKNASDHVXKZJW-SOFGYWHQSA-N 2 1 266.473 3.787 20 0 CHADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000360861885 1127516647 /nfs/dbraw/zinc/51/66/47/1127516647.db2.gz UHKGLONERBXMLG-NEPJUHHUSA-N 2 1 283.485 3.566 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3sccc32)C1 ZINC000361062355 1127534926 /nfs/dbraw/zinc/53/49/26/1127534926.db2.gz XAQJGFMVIOQQDU-ZBFHGGJFSA-N 2 1 292.492 3.836 20 0 CHADMP CC1CC[NH+](CCCNc2cc[nH+]c3ccsc32)CC1 ZINC000361161539 1127543360 /nfs/dbraw/zinc/54/33/60/1127543360.db2.gz KLXPFHDDYJDFGJ-UHFFFAOYSA-N 2 1 289.448 3.830 20 0 CHADMP CCC[N@@H+](Cc1ccc(-n2ccnc2)cc1C)C1CC1 ZINC000361713827 1127583969 /nfs/dbraw/zinc/58/39/69/1127583969.db2.gz JUOPDLWAOSIMQR-UHFFFAOYSA-N 2 1 269.392 3.555 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cc(F)ccc1F ZINC000361972233 1127603962 /nfs/dbraw/zinc/60/39/62/1127603962.db2.gz PTIXJIHMSSDGTD-CPUCHLNUSA-N 2 1 296.405 3.878 20 0 CHADMP C[C@@H]1CCC[NH+]1Cc1ccc(C[N@@H+]2CCC[C@H]2C)cc1 ZINC000362435396 1127635592 /nfs/dbraw/zinc/63/55/92/1127635592.db2.gz SJGHVHOMPRKHFT-HZPDHXFCSA-N 2 1 272.436 3.655 20 0 CHADMP Cc1cccc(C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CC2)c1 ZINC000295820832 1127654361 /nfs/dbraw/zinc/65/43/61/1127654361.db2.gz BTGMMGFZIXOLCT-NXEWRWPSSA-N 2 1 298.474 3.531 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(C)(C)C)CC1 ZINC000603554923 1127657997 /nfs/dbraw/zinc/65/79/97/1127657997.db2.gz PUGXOWWZVCAKKV-UHFFFAOYSA-N 2 1 268.489 3.867 20 0 CHADMP CC(C[NH+]1CCC[C@@H](C)CC1)C[N@H+]1CCC[C@@H](C)CC1 ZINC000605574390 1127742812 /nfs/dbraw/zinc/74/28/12/1127742812.db2.gz DTTKRUSIUMQJDI-IAGOWNOFSA-N 2 1 280.500 3.867 20 0 CHADMP CC[C@@H]1CCC[NH+](CC(C)C[N@@H+]2CCC[C@@H](CC)C2)C1 ZINC000605573890 1127742922 /nfs/dbraw/zinc/74/29/22/1127742922.db2.gz FOBPZEXBKXDNFB-QZTJIDSGSA-N 2 1 280.500 3.867 20 0 CHADMP CC(C)SCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000409446576 1127768805 /nfs/dbraw/zinc/76/88/05/1127768805.db2.gz LDNZRLOSGBKDMO-DLBZAZTESA-N 2 1 298.540 3.714 20 0 CHADMP CC(C)SCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000409446576 1127768807 /nfs/dbraw/zinc/76/88/07/1127768807.db2.gz LDNZRLOSGBKDMO-DLBZAZTESA-N 2 1 298.540 3.714 20 0 CHADMP CC(C)SCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000409446576 1127768810 /nfs/dbraw/zinc/76/88/10/1127768810.db2.gz LDNZRLOSGBKDMO-DLBZAZTESA-N 2 1 298.540 3.714 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000371752139 1127777858 /nfs/dbraw/zinc/77/78/58/1127777858.db2.gz FHHQEOJXNOBDSZ-LJQANCHMSA-N 2 1 297.446 3.770 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000371752139 1127777862 /nfs/dbraw/zinc/77/78/62/1127777862.db2.gz FHHQEOJXNOBDSZ-LJQANCHMSA-N 2 1 297.446 3.770 20 0 CHADMP CN(C/C=C/c1ccccc1)CC[C@@H]1CCCC[N@H+]1C ZINC000608500871 1127871054 /nfs/dbraw/zinc/87/10/54/1127871054.db2.gz QQGMZKSWCAODJJ-MZEUMTGBSA-N 2 1 272.436 3.506 20 0 CHADMP C[N@@H+](C/C=C/c1ccccc1)CC[C@@H]1CCCC[NH+]1C ZINC000608500871 1127871057 /nfs/dbraw/zinc/87/10/57/1127871057.db2.gz QQGMZKSWCAODJJ-MZEUMTGBSA-N 2 1 272.436 3.506 20 0 CHADMP C[N@H+](C/C=C/c1ccccc1)CC[C@@H]1CCCC[NH+]1C ZINC000608500871 1127871059 /nfs/dbraw/zinc/87/10/59/1127871059.db2.gz QQGMZKSWCAODJJ-MZEUMTGBSA-N 2 1 272.436 3.506 20 0 CHADMP C[NH+](C/C=C/c1ccccc1)CC[C@@H]1CCCC[N@@H+]1C ZINC000608500871 1127871061 /nfs/dbraw/zinc/87/10/61/1127871061.db2.gz QQGMZKSWCAODJJ-MZEUMTGBSA-N 2 1 272.436 3.506 20 0 CHADMP C[NH+](C/C=C/c1ccccc1)CC[C@@H]1CCCC[N@H+]1C ZINC000608500871 1127871065 /nfs/dbraw/zinc/87/10/65/1127871065.db2.gz QQGMZKSWCAODJJ-MZEUMTGBSA-N 2 1 272.436 3.506 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)CC1(C)C ZINC000623506232 1127911548 /nfs/dbraw/zinc/91/15/48/1127911548.db2.gz IFTKRJDQZLRDHY-QGZVFWFLSA-N 2 1 272.436 3.526 20 0 CHADMP C[C@H](C1CC1)[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000535466799 1127916978 /nfs/dbraw/zinc/91/69/78/1127916978.db2.gz YWDVCHMQDBWFSG-VQIMIIECSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@H](C1CC1)[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000535466799 1127916979 /nfs/dbraw/zinc/91/69/79/1127916979.db2.gz YWDVCHMQDBWFSG-VQIMIIECSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@H](C1CC1)[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000535466799 1127916982 /nfs/dbraw/zinc/91/69/82/1127916982.db2.gz YWDVCHMQDBWFSG-VQIMIIECSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000535466787 1127917050 /nfs/dbraw/zinc/91/70/50/1127917050.db2.gz YHRYMVCBZGVMDF-WMLDXEAASA-N 2 1 294.870 3.687 20 0 CHADMP C[C@@H](Cc1ccc(Cl)cc1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000535466787 1127917053 /nfs/dbraw/zinc/91/70/53/1127917053.db2.gz YHRYMVCBZGVMDF-WMLDXEAASA-N 2 1 294.870 3.687 20 0 CHADMP C[C@@H](Cc1ccc(Cl)cc1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000535466787 1127917056 /nfs/dbraw/zinc/91/70/56/1127917056.db2.gz YHRYMVCBZGVMDF-WMLDXEAASA-N 2 1 294.870 3.687 20 0 CHADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](C)CCc2ccccc2)C1 ZINC000539405107 1127921485 /nfs/dbraw/zinc/92/14/85/1127921485.db2.gz NAVCOJMDDVHJBN-PKOBYXMFSA-N 2 1 288.479 3.529 20 0 CHADMP CC[NH+](CC)C[C@H](C)[NH2+]CC1CCC(C(C)C)CC1 ZINC000311464718 1127931385 /nfs/dbraw/zinc/93/13/85/1127931385.db2.gz HBLHABHSJYUOIW-GTPINHCMSA-N 2 1 268.489 3.769 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCC1 ZINC000623548549 1127934703 /nfs/dbraw/zinc/93/47/03/1127934703.db2.gz YBWCPNXYXOXRPW-CVEARBPZSA-N 2 1 266.473 3.808 20 0 CHADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(F)c(Cl)c2)CC1 ZINC000375509084 1127946959 /nfs/dbraw/zinc/94/69/59/1127946959.db2.gz KDJTVNVMGHHOPZ-UHFFFAOYSA-N 2 1 296.817 3.539 20 0 CHADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(F)c(Cl)c2)CC1 ZINC000375509084 1127946962 /nfs/dbraw/zinc/94/69/62/1127946962.db2.gz KDJTVNVMGHHOPZ-UHFFFAOYSA-N 2 1 296.817 3.539 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2CC)C1 ZINC000539857713 1127948002 /nfs/dbraw/zinc/94/80/02/1127948002.db2.gz BNBSQLUDRLYHKG-WCXIOVBPSA-N 2 1 266.473 3.523 20 0 CHADMP C[N@@H+](CCCCNc1cc[nH+]c2cc(F)ccc12)C1CC1 ZINC000413348068 1127948706 /nfs/dbraw/zinc/94/87/06/1127948706.db2.gz NCDFZVPDEWKPPJ-UHFFFAOYSA-N 2 1 287.382 3.660 20 0 CHADMP Cc1cc(C)cc(C2=CC[N@H+](CCC[NH+]3CCCC3)CC2)c1 ZINC000539887670 1127951105 /nfs/dbraw/zinc/95/11/05/1127951105.db2.gz YXVYDPYRKDIZRN-UHFFFAOYSA-N 2 1 298.474 3.878 20 0 CHADMP Cc1cc(C)cc(C2=CC[N@@H+](CCC[NH+]3CCCC3)CC2)c1 ZINC000539887670 1127951109 /nfs/dbraw/zinc/95/11/09/1127951109.db2.gz YXVYDPYRKDIZRN-UHFFFAOYSA-N 2 1 298.474 3.878 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(C)c(C)cc2C)C1 ZINC000539849455 1127946993 /nfs/dbraw/zinc/94/69/93/1127946993.db2.gz HCKMNPSEHDHLJE-GOSISDBHSA-N 2 1 288.479 3.776 20 0 CHADMP C(C1CCCCCC1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000539897544 1127952678 /nfs/dbraw/zinc/95/26/78/1127952678.db2.gz BWJHIDYWMPAIGO-IEBWSBKVSA-N 2 1 290.495 3.906 20 0 CHADMP Cc1ccc(CCC[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000544145209 1127960799 /nfs/dbraw/zinc/96/07/99/1127960799.db2.gz LOGNDVZYLKNNBW-UHFFFAOYSA-N 2 1 288.479 3.732 20 0 CHADMP CC(C)[C@H](C)[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000540146045 1127962556 /nfs/dbraw/zinc/96/25/56/1127962556.db2.gz QWMYCBUIWACLIC-AOIWGVFYSA-N 2 1 288.479 3.921 20 0 CHADMP C[C@H](CC[N@@H+](C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000467517046 1127972017 /nfs/dbraw/zinc/97/20/17/1127972017.db2.gz RJVFGOHFCJHJBT-QGZVFWFLSA-N 2 1 274.452 3.598 20 0 CHADMP C[C@H](CC1CCCCC1)C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000544600485 1127978345 /nfs/dbraw/zinc/97/83/45/1127978345.db2.gz YJYFRODXESXMEJ-KBAYOESNSA-N 2 1 278.484 3.619 20 0 CHADMP C[C@H](CC1CCCCC1)C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000544600485 1127978348 /nfs/dbraw/zinc/97/83/48/1127978348.db2.gz YJYFRODXESXMEJ-KBAYOESNSA-N 2 1 278.484 3.619 20 0 CHADMP C[C@H](CC1CCCCC1)C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000544600485 1127978350 /nfs/dbraw/zinc/97/83/50/1127978350.db2.gz YJYFRODXESXMEJ-KBAYOESNSA-N 2 1 278.484 3.619 20 0 CHADMP C[C@H](CC1CCCCC1)C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000544600485 1127978352 /nfs/dbraw/zinc/97/83/52/1127978352.db2.gz YJYFRODXESXMEJ-KBAYOESNSA-N 2 1 278.484 3.619 20 0 CHADMP Cc1ccccc1[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C(C)C ZINC000540360141 1127976685 /nfs/dbraw/zinc/97/66/85/1127976685.db2.gz PLTGFBXZLIFFGM-SJLPKXTDSA-N 2 1 274.452 3.766 20 0 CHADMP Cc1cc([C@H]([NH2+]CC[C@@H]2CCC[N@@H+]2C)C2CC2)ccc1F ZINC000540519084 1127983456 /nfs/dbraw/zinc/98/34/56/1127983456.db2.gz DCTNEWZUTSTFEG-FUHWJXTLSA-N 2 1 290.426 3.659 20 0 CHADMP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000300307809 1127998818 /nfs/dbraw/zinc/99/88/18/1127998818.db2.gz GIGFZQDKVYWJJO-QAETUUGQSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000300307809 1127998819 /nfs/dbraw/zinc/99/88/19/1127998819.db2.gz GIGFZQDKVYWJJO-QAETUUGQSA-N 2 1 266.473 3.664 20 0 CHADMP CCC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CCCCC1 ZINC000545161387 1128002827 /nfs/dbraw/zinc/00/28/27/1128002827.db2.gz UFEANKWQEGVBOQ-ARFHVFGLSA-N 2 1 266.473 3.665 20 0 CHADMP CCCc1ccc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)cc1 ZINC000541335709 1128017139 /nfs/dbraw/zinc/01/71/39/1128017139.db2.gz DGSGBZDLGYMZCN-UHFFFAOYSA-N 2 1 286.463 3.699 20 0 CHADMP CCCc1ccc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)cc1 ZINC000541335709 1128017144 /nfs/dbraw/zinc/01/71/44/1128017144.db2.gz DGSGBZDLGYMZCN-UHFFFAOYSA-N 2 1 286.463 3.699 20 0 CHADMP CCC(CC)[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C1CC1 ZINC000541535080 1128026814 /nfs/dbraw/zinc/02/68/14/1128026814.db2.gz NKIZLNFDCRLIHX-UHFFFAOYSA-N 2 1 298.434 3.729 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)C1CCCCCC1 ZINC000541566246 1128027294 /nfs/dbraw/zinc/02/72/94/1128027294.db2.gz QJZSFCRXYZUFCH-CABCVRRESA-N 2 1 277.456 3.776 20 0 CHADMP C[C@@H](CCC1CC1)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000469774046 1128052873 /nfs/dbraw/zinc/05/28/73/1128052873.db2.gz CSYQDMXZJRKMGJ-BBWFWOEESA-N 2 1 280.500 3.913 20 0 CHADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000469873906 1128056774 /nfs/dbraw/zinc/05/67/74/1128056774.db2.gz OJCKOMXSKLRRCO-QRQLOZEOSA-N 2 1 286.463 3.644 20 0 CHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(Cl)c1 ZINC000470197861 1128066292 /nfs/dbraw/zinc/06/62/92/1128066292.db2.gz LSQQFVHXHVVXOM-COXVUDFISA-N 2 1 292.854 3.660 20 0 CHADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(Cl)c1 ZINC000470197861 1128066297 /nfs/dbraw/zinc/06/62/97/1128066297.db2.gz LSQQFVHXHVVXOM-COXVUDFISA-N 2 1 292.854 3.660 20 0 CHADMP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470957683 1128083706 /nfs/dbraw/zinc/08/37/06/1128083706.db2.gz FSFOCNIPMNVUNJ-HOCLYGCPSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470957683 1128083711 /nfs/dbraw/zinc/08/37/11/1128083711.db2.gz FSFOCNIPMNVUNJ-HOCLYGCPSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@@H](c1ccc(F)cc1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470957683 1128083716 /nfs/dbraw/zinc/08/37/16/1128083716.db2.gz FSFOCNIPMNVUNJ-HOCLYGCPSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@@H](c1ccc(F)cc1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470957683 1128083721 /nfs/dbraw/zinc/08/37/21/1128083721.db2.gz FSFOCNIPMNVUNJ-HOCLYGCPSA-N 2 1 290.426 3.550 20 0 CHADMP Cc1ccc([C@H]2CC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)c(C)c1 ZINC000471019718 1128084998 /nfs/dbraw/zinc/08/49/98/1128084998.db2.gz QPLXAIJCKQFEJJ-ZWKOTPCHSA-N 2 1 286.463 3.577 20 0 CHADMP Cc1ccc([C@H]2CC[N@H+](CC[C@H]3CCC[NH+]3C)C2)c(C)c1 ZINC000471019718 1128085001 /nfs/dbraw/zinc/08/50/01/1128085001.db2.gz QPLXAIJCKQFEJJ-ZWKOTPCHSA-N 2 1 286.463 3.577 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCc2ccc(Cl)cc2)C1 ZINC000173898184 1128094476 /nfs/dbraw/zinc/09/44/76/1128094476.db2.gz RCJNGBGFLYLJKW-INIZCTEOSA-N 2 1 294.870 3.546 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC000173898184 1128094478 /nfs/dbraw/zinc/09/44/78/1128094478.db2.gz RCJNGBGFLYLJKW-INIZCTEOSA-N 2 1 294.870 3.546 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC000173898184 1128094482 /nfs/dbraw/zinc/09/44/82/1128094482.db2.gz RCJNGBGFLYLJKW-INIZCTEOSA-N 2 1 294.870 3.546 20 0 CHADMP COc1cc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc2ccccc21 ZINC000924574357 1128105462 /nfs/dbraw/zinc/10/54/62/1128105462.db2.gz CXJWYQQXOQRHTD-AWEZNQCLSA-N 2 1 298.430 3.593 20 0 CHADMP C[C@H]([NH2+][C@H]1C=CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309868868 1128125411 /nfs/dbraw/zinc/12/54/11/1128125411.db2.gz QINYNHJLPMTPIV-WDSOQIARSA-N 2 1 284.447 3.595 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCC[C@@H]2C)C[C@H]1C ZINC000542464678 1128129830 /nfs/dbraw/zinc/12/98/30/1128129830.db2.gz FLSNIBSYHLKCOR-YVSFHVDLSA-N 2 1 266.473 3.617 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCC[C@@H]2C)C[C@H]1C ZINC000542464678 1128129831 /nfs/dbraw/zinc/12/98/31/1128129831.db2.gz FLSNIBSYHLKCOR-YVSFHVDLSA-N 2 1 266.473 3.617 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCC[C@@H]2C)C[C@H]1C ZINC000542464678 1128129833 /nfs/dbraw/zinc/12/98/33/1128129833.db2.gz FLSNIBSYHLKCOR-YVSFHVDLSA-N 2 1 266.473 3.617 20 0 CHADMP CCC(CC)(C[NH2+][C@@H]1CC[NH2+]C12CCCC2)C(F)(F)F ZINC000925732894 1128138737 /nfs/dbraw/zinc/13/87/37/1128138737.db2.gz GTLHXIZSQUQQEG-GFCCVEGCSA-N 2 1 292.389 3.619 20 0 CHADMP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1csc(-c2ccccc2)n1 ZINC000925737443 1128139767 /nfs/dbraw/zinc/13/97/67/1128139767.db2.gz IPNOEWDEIMHIOJ-LBPRGKRZSA-N 2 1 289.448 3.588 20 0 CHADMP CCC1([NH3+])CC[NH+]([C@H]2CCSc3c(F)cccc32)CC1 ZINC000925755225 1128140256 /nfs/dbraw/zinc/14/02/56/1128140256.db2.gz COUHLXWMPYABCF-AWEZNQCLSA-N 2 1 294.439 3.566 20 0 CHADMP CCC(CC)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001257301072 1128163459 /nfs/dbraw/zinc/16/34/59/1128163459.db2.gz OHZHCCNMBUUGBP-JKSUJKDBSA-N 2 1 252.446 3.514 20 0 CHADMP CCC(CC)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001257301072 1128163461 /nfs/dbraw/zinc/16/34/61/1128163461.db2.gz OHZHCCNMBUUGBP-JKSUJKDBSA-N 2 1 252.446 3.514 20 0 CHADMP Cc1cc(C)c(C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1C ZINC000220254630 1128165728 /nfs/dbraw/zinc/16/57/28/1128165728.db2.gz WXVCXXIUBMGXAW-UHFFFAOYSA-N 2 1 286.463 3.576 20 0 CHADMP C/C(=C\c1ccccc1)C[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000494234851 1128167307 /nfs/dbraw/zinc/16/73/07/1128167307.db2.gz RUVPSSHURWRAJK-ZWFBASDOSA-N 2 1 272.436 3.506 20 0 CHADMP C/C(=C\c1ccccc1)C[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000494234851 1128167309 /nfs/dbraw/zinc/16/73/09/1128167309.db2.gz RUVPSSHURWRAJK-ZWFBASDOSA-N 2 1 272.436 3.506 20 0 CHADMP C/C(=C\c1ccccc1)C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000494234851 1128167310 /nfs/dbraw/zinc/16/73/10/1128167310.db2.gz RUVPSSHURWRAJK-ZWFBASDOSA-N 2 1 272.436 3.506 20 0 CHADMP C/C(=C\c1ccccc1)C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000494234851 1128167312 /nfs/dbraw/zinc/16/73/12/1128167312.db2.gz RUVPSSHURWRAJK-ZWFBASDOSA-N 2 1 272.436 3.506 20 0 CHADMP CCC(CC)[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001257303995 1128180745 /nfs/dbraw/zinc/18/07/45/1128180745.db2.gz WLGLBBNSOWLCKW-UHFFFAOYSA-N 2 1 292.442 3.911 20 0 CHADMP CCC(CC)[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001257303995 1128180747 /nfs/dbraw/zinc/18/07/47/1128180747.db2.gz WLGLBBNSOWLCKW-UHFFFAOYSA-N 2 1 292.442 3.911 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc2ccccc2[nH]1 ZINC000926753300 1128192072 /nfs/dbraw/zinc/19/20/72/1128192072.db2.gz MYQPSRVJJCXGMF-HUUCEWRRSA-N 2 1 285.435 3.550 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](C)Cc2ccccc2)CC1 ZINC000542517649 1128205287 /nfs/dbraw/zinc/20/52/87/1128205287.db2.gz IIENYAYRLMKKMP-KRWDZBQOSA-N 2 1 288.479 3.671 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000495020608 1128224318 /nfs/dbraw/zinc/22/43/18/1128224318.db2.gz UOYLYTGUNQCNNF-APIJFGDWSA-N 2 1 288.426 3.520 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000495020609 1128224524 /nfs/dbraw/zinc/22/45/24/1128224524.db2.gz UOYLYTGUNQCNNF-KBUPBQIOSA-N 2 1 288.426 3.520 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)[C@@H]1C ZINC000495039673 1128224909 /nfs/dbraw/zinc/22/49/09/1128224909.db2.gz CXEXCFBILGSAGJ-AIANPOQGSA-N 2 1 292.492 3.594 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[C@@H]1C ZINC000495039673 1128224911 /nfs/dbraw/zinc/22/49/11/1128224911.db2.gz CXEXCFBILGSAGJ-AIANPOQGSA-N 2 1 292.492 3.594 20 0 CHADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C2CCCCC2)CC1 ZINC000762916500 1128327346 /nfs/dbraw/zinc/32/73/46/1128327346.db2.gz HQNJRDZSTKGAAA-UHFFFAOYSA-N 2 1 289.467 3.874 20 0 CHADMP Cc1nccn1CCC[N@@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000762918876 1128327791 /nfs/dbraw/zinc/32/77/91/1128327791.db2.gz PZFUZJLDQRRUKF-UHFFFAOYSA-N 2 1 295.430 3.679 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000762918876 1128327794 /nfs/dbraw/zinc/32/77/94/1128327794.db2.gz PZFUZJLDQRRUKF-UHFFFAOYSA-N 2 1 295.430 3.679 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000762918876 1128327797 /nfs/dbraw/zinc/32/77/97/1128327797.db2.gz PZFUZJLDQRRUKF-UHFFFAOYSA-N 2 1 295.430 3.679 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc3ccccc32)C1 ZINC000037644130 1128433569 /nfs/dbraw/zinc/43/35/69/1128433569.db2.gz SFIMVMBBGGQFLF-HOTGVXAUSA-N 2 1 282.431 3.832 20 0 CHADMP C[C@H](C[NH2+][C@H](C)c1cc2ccccc2o1)C[NH+]1CCCC1 ZINC000062077151 1128436362 /nfs/dbraw/zinc/43/63/62/1128436362.db2.gz XJTJXVIIJYCCIE-HUUCEWRRSA-N 2 1 286.419 3.815 20 0 CHADMP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000124479297 1128444870 /nfs/dbraw/zinc/44/48/70/1128444870.db2.gz WGEAPACDOQDUOH-JLSDUUJJSA-N 2 1 290.426 3.693 20 0 CHADMP C[C@@H]1C[C@@H](c2cccc(F)c2)[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000124479297 1128444872 /nfs/dbraw/zinc/44/48/72/1128444872.db2.gz WGEAPACDOQDUOH-JLSDUUJJSA-N 2 1 290.426 3.693 20 0 CHADMP C[C@@H]1C[C@@H](c2cccc(F)c2)[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000124479297 1128444874 /nfs/dbraw/zinc/44/48/74/1128444874.db2.gz WGEAPACDOQDUOH-JLSDUUJJSA-N 2 1 290.426 3.693 20 0 CHADMP CC[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120888 1128450837 /nfs/dbraw/zinc/45/08/37/1128450837.db2.gz LJDCOAYFLGMCOP-NVXWUHKLSA-N 2 1 272.436 3.572 20 0 CHADMP CC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120888 1128450839 /nfs/dbraw/zinc/45/08/39/1128450839.db2.gz LJDCOAYFLGMCOP-NVXWUHKLSA-N 2 1 272.436 3.572 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)CC2 ZINC000125909588 1128456655 /nfs/dbraw/zinc/45/66/55/1128456655.db2.gz GAOZNJKUVURGDN-APWZRJJASA-N 2 1 286.463 3.692 20 0 CHADMP CCC[C@@H](C)CC[C@H](C)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001257468851 1128464545 /nfs/dbraw/zinc/46/45/45/1128464545.db2.gz RCBQQVKSVBEVEC-QVOMUQBLSA-N 2 1 254.462 3.793 20 0 CHADMP CC(C)c1ccc(CC[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000563914503 1128484972 /nfs/dbraw/zinc/48/49/72/1128484972.db2.gz CVXIMAPULGPMAA-SFHVURJKSA-N 2 1 288.479 3.672 20 0 CHADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000567258115 1128561612 /nfs/dbraw/zinc/56/16/12/1128561612.db2.gz NVYPDZQVAKNMHS-BDUQCRIQSA-N 2 1 298.474 3.703 20 0 CHADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(-c3cccs3)s2)C1 ZINC001236067297 1128528642 /nfs/dbraw/zinc/52/86/42/1128528642.db2.gz PJAANAGIWFOXTM-LBPRGKRZSA-N 2 1 292.473 3.518 20 0 CHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3cccs3)s2)C1 ZINC001236067297 1128528645 /nfs/dbraw/zinc/52/86/45/1128528645.db2.gz PJAANAGIWFOXTM-LBPRGKRZSA-N 2 1 292.473 3.518 20 0 CHADMP CC(C)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638287644 1128534150 /nfs/dbraw/zinc/53/41/50/1128534150.db2.gz VRKHAKXOQPNPGJ-AEFFLSMTSA-N 2 1 272.436 3.600 20 0 CHADMP CC(C)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638287644 1128534154 /nfs/dbraw/zinc/53/41/54/1128534154.db2.gz VRKHAKXOQPNPGJ-AEFFLSMTSA-N 2 1 272.436 3.600 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@H]2CCc3sc(Cl)cc32)CC1 ZINC000129498614 1128541680 /nfs/dbraw/zinc/54/16/80/1128541680.db2.gz YSFCTZGCNVXLAS-ZDUSSCGKSA-N 2 1 298.883 3.853 20 0 CHADMP CC(C)C[C@H](C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C)c1ccccc1 ZINC000566411163 1128544046 /nfs/dbraw/zinc/54/40/46/1128544046.db2.gz AEYPVCAAVFOLMI-JQHSSLGASA-N 2 1 274.452 3.628 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC=CCC2)C[C@@H]1c1ccccc1 ZINC000556064024 1128544080 /nfs/dbraw/zinc/54/40/80/1128544080.db2.gz UBNFYNBWHWDXHF-YTQUADARSA-N 2 1 284.447 3.768 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC=CCC2)C[C@@H]1c1ccccc1 ZINC000556064024 1128544082 /nfs/dbraw/zinc/54/40/82/1128544082.db2.gz UBNFYNBWHWDXHF-YTQUADARSA-N 2 1 284.447 3.768 20 0 CHADMP CC(C)C[C@H](C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C)c1ccccc1 ZINC000566411162 1128544147 /nfs/dbraw/zinc/54/41/47/1128544147.db2.gz AEYPVCAAVFOLMI-CGTJXYLNSA-N 2 1 274.452 3.628 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC23CCCC3)C[C@@H]1c1ccccc1 ZINC000556177850 1128560619 /nfs/dbraw/zinc/56/06/19/1128560619.db2.gz OUIKQAGVLJUXLC-RCCFBDPRSA-N 2 1 284.447 3.744 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC23CCCC3)C[C@@H]1c1ccccc1 ZINC000556177850 1128560623 /nfs/dbraw/zinc/56/06/23/1128560623.db2.gz OUIKQAGVLJUXLC-RCCFBDPRSA-N 2 1 284.447 3.744 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc(C(C)(C)C)cc1 ZINC000567088395 1128557277 /nfs/dbraw/zinc/55/72/77/1128557277.db2.gz HEECYOLMCKMRMV-CZUORRHYSA-N 2 1 297.446 3.915 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2)C2CC2)[C@H]2CCC[C@@H]21 ZINC000556208100 1128562761 /nfs/dbraw/zinc/56/27/61/1128562761.db2.gz DFBADMHMMSWZHM-ZRNYENFQSA-N 2 1 298.474 3.643 20 0 CHADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000568116765 1128577976 /nfs/dbraw/zinc/57/79/76/1128577976.db2.gz MEAJEBGXXDKACC-WSMBLCCSSA-N 2 1 292.854 3.516 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000568116765 1128577978 /nfs/dbraw/zinc/57/79/78/1128577978.db2.gz MEAJEBGXXDKACC-WSMBLCCSSA-N 2 1 292.854 3.516 20 0 CHADMP C[N@@H+](CCCC[NH3+])Cc1cc(C(F)(F)F)ccc1Cl ZINC001236142354 1128578428 /nfs/dbraw/zinc/57/84/28/1128578428.db2.gz WHKMXZKACRGWGO-UHFFFAOYSA-N 2 1 294.748 3.530 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@@H+]1CCCc1c[nH+]cn1C ZINC000568178398 1128579420 /nfs/dbraw/zinc/57/94/20/1128579420.db2.gz NUGARVZCSTZHOI-GJYPPUQNSA-N 2 1 297.446 3.619 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1CCCc1c[nH+]cn1C ZINC000568178398 1128579421 /nfs/dbraw/zinc/57/94/21/1128579421.db2.gz NUGARVZCSTZHOI-GJYPPUQNSA-N 2 1 297.446 3.619 20 0 CHADMP C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@@H+]1CCCc1c[nH+]cn1C ZINC000568178400 1128579770 /nfs/dbraw/zinc/57/97/70/1128579770.db2.gz NUGARVZCSTZHOI-JTDSTZFVSA-N 2 1 297.446 3.619 20 0 CHADMP C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1CCCc1c[nH+]cn1C ZINC000568178400 1128579771 /nfs/dbraw/zinc/57/97/71/1128579771.db2.gz NUGARVZCSTZHOI-JTDSTZFVSA-N 2 1 297.446 3.619 20 0 CHADMP Cn1cncc1CCC[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000568408576 1128584303 /nfs/dbraw/zinc/58/43/03/1128584303.db2.gz RMPKCUMDSGAQEU-IBGZPJMESA-N 2 1 297.446 3.970 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000568408576 1128584308 /nfs/dbraw/zinc/58/43/08/1128584308.db2.gz RMPKCUMDSGAQEU-IBGZPJMESA-N 2 1 297.446 3.970 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000568408576 1128584311 /nfs/dbraw/zinc/58/43/11/1128584311.db2.gz RMPKCUMDSGAQEU-IBGZPJMESA-N 2 1 297.446 3.970 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000568548017 1128586713 /nfs/dbraw/zinc/58/67/13/1128586713.db2.gz ZGZHVICOCCIPTD-JOCLIGHLSA-N 2 1 298.474 3.675 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3sc(Cl)cc32)[C@@H](C)C1 ZINC000569277581 1128603305 /nfs/dbraw/zinc/60/33/05/1128603305.db2.gz BYYDHKRRZAJLNC-WCFLWFBJSA-N 2 1 298.883 3.709 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3sc(Cl)cc32)[C@@H](C)C1 ZINC000569277581 1128603306 /nfs/dbraw/zinc/60/33/06/1128603306.db2.gz BYYDHKRRZAJLNC-WCFLWFBJSA-N 2 1 298.883 3.709 20 0 CHADMP CCC(C)(C)[C@H]1CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000131127910 1128606299 /nfs/dbraw/zinc/60/62/99/1128606299.db2.gz MEZLORNXEGIACY-MRXNPFEDSA-N 2 1 277.456 3.872 20 0 CHADMP CCC(C)(C)[C@H]1CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000131127910 1128606301 /nfs/dbraw/zinc/60/63/01/1128606301.db2.gz MEZLORNXEGIACY-MRXNPFEDSA-N 2 1 277.456 3.872 20 0 CHADMP CC1(C)CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000556583529 1128606674 /nfs/dbraw/zinc/60/66/74/1128606674.db2.gz IUYQHIFPJGUIIR-GOEBONIOSA-N 2 1 292.492 3.738 20 0 CHADMP CC1(C)CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000556583529 1128606675 /nfs/dbraw/zinc/60/66/75/1128606675.db2.gz IUYQHIFPJGUIIR-GOEBONIOSA-N 2 1 292.492 3.738 20 0 CHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000556890245 1128635903 /nfs/dbraw/zinc/63/59/03/1128635903.db2.gz VPYOLFIHFYAQCN-CXAGYDPISA-N 2 1 292.854 3.649 20 0 CHADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1CCF ZINC000556885315 1128633998 /nfs/dbraw/zinc/63/39/98/1128633998.db2.gz FKXASQJZBMTZFK-BBWFWOEESA-N 2 1 284.463 3.615 20 0 CHADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1CCF ZINC000556885315 1128634000 /nfs/dbraw/zinc/63/40/00/1128634000.db2.gz FKXASQJZBMTZFK-BBWFWOEESA-N 2 1 284.463 3.615 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc2ccccc2s1 ZINC000132075193 1128643206 /nfs/dbraw/zinc/64/32/06/1128643206.db2.gz USZHZBLASUTWPP-CYBMUJFWSA-N 2 1 299.443 3.832 20 0 CHADMP CCCc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000556934964 1128648758 /nfs/dbraw/zinc/64/87/58/1128648758.db2.gz ZCVGLEMPSFXGGH-LJQANCHMSA-N 2 1 286.463 3.557 20 0 CHADMP CCCc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000556934964 1128648762 /nfs/dbraw/zinc/64/87/62/1128648762.db2.gz ZCVGLEMPSFXGGH-LJQANCHMSA-N 2 1 286.463 3.557 20 0 CHADMP CCCc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000556934964 1128648764 /nfs/dbraw/zinc/64/87/64/1128648764.db2.gz ZCVGLEMPSFXGGH-LJQANCHMSA-N 2 1 286.463 3.557 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@H](C(C)C)c2ccccc21 ZINC000572689456 1128646687 /nfs/dbraw/zinc/64/66/87/1128646687.db2.gz MBNKDMIJJXHUBC-QZTJIDSGSA-N 2 1 283.419 3.666 20 0 CHADMP Cc1cccc([C@@H]2CCC[N@H+]2CCCc2c[nH+]cn2C)c1C ZINC000573455334 1128654660 /nfs/dbraw/zinc/65/46/60/1128654660.db2.gz JVIBUHYKVUDFKS-IBGZPJMESA-N 2 1 297.446 3.807 20 0 CHADMP Cc1cccc([C@@H]2CCC[N@@H+]2CCCc2c[nH+]cn2C)c1C ZINC000573455334 1128654661 /nfs/dbraw/zinc/65/46/61/1128654661.db2.gz JVIBUHYKVUDFKS-IBGZPJMESA-N 2 1 297.446 3.807 20 0 CHADMP CC1=CC[C@@H]([NH2+]CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000573707360 1128656781 /nfs/dbraw/zinc/65/67/81/1128656781.db2.gz YIWMYIRSKOSJDF-IAGOWNOFSA-N 2 1 264.457 3.729 20 0 CHADMP Cc1cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc(F)c1F ZINC001206588538 1128667778 /nfs/dbraw/zinc/66/77/78/1128667778.db2.gz ASNIFDZPLCIJSR-OAHLLOKOSA-N 2 1 296.405 3.626 20 0 CHADMP Cc1cc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc(F)c1F ZINC001206588537 1128668152 /nfs/dbraw/zinc/66/81/52/1128668152.db2.gz ASNIFDZPLCIJSR-HNNXBMFYSA-N 2 1 296.405 3.626 20 0 CHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CCCC3)cc2)C1 ZINC000921198332 1128702573 /nfs/dbraw/zinc/70/25/73/1128702573.db2.gz GKRDPYVMGBQPNM-MRXNPFEDSA-N 2 1 286.463 3.951 20 0 CHADMP Cc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000578370007 1128716433 /nfs/dbraw/zinc/71/64/33/1128716433.db2.gz MCWZKBPRVXWOSU-MJGOQNOKSA-N 2 1 288.479 3.636 20 0 CHADMP CC(C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000578531568 1128720449 /nfs/dbraw/zinc/72/04/49/1128720449.db2.gz JLLCCXJMMQLTDQ-GOSISDBHSA-N 2 1 286.463 3.819 20 0 CHADMP CC(C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000578531568 1128720451 /nfs/dbraw/zinc/72/04/51/1128720451.db2.gz JLLCCXJMMQLTDQ-GOSISDBHSA-N 2 1 286.463 3.819 20 0 CHADMP Cc1ccnc([C@H](C)NCCC[N@@H+](C)C2CCCCC2)c1 ZINC000578853773 1128730618 /nfs/dbraw/zinc/73/06/18/1128730618.db2.gz KMYAWJWOJCNIMP-INIZCTEOSA-N 2 1 289.467 3.695 20 0 CHADMP CC(C)[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000035054254 1117767041 /nfs/dbraw/zinc/76/70/41/1117767041.db2.gz KSOHKZZGBABQKN-INIZCTEOSA-N 2 1 280.843 3.721 20 0 CHADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CCCc2cncn2C)C1 ZINC000579729058 1117767460 /nfs/dbraw/zinc/76/74/60/1117767460.db2.gz QRFVJSNKDMWSEL-IAGOWNOFSA-N 2 1 297.446 3.539 20 0 CHADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000579729058 1117767464 /nfs/dbraw/zinc/76/74/64/1117767464.db2.gz QRFVJSNKDMWSEL-IAGOWNOFSA-N 2 1 297.446 3.539 20 0 CHADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000579729058 1117767468 /nfs/dbraw/zinc/76/74/68/1117767468.db2.gz QRFVJSNKDMWSEL-IAGOWNOFSA-N 2 1 297.446 3.539 20 0 CHADMP CC[N@@H+](CCn1ccnc1)Cc1ccc(F)c2ccccc12 ZINC001139893175 1117782580 /nfs/dbraw/zinc/78/25/80/1117782580.db2.gz IWSBCRJOVANCMI-UHFFFAOYSA-N 2 1 297.377 3.698 20 0 CHADMP Cc1cccc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c1F ZINC001137676162 1117789774 /nfs/dbraw/zinc/78/97/74/1117789774.db2.gz LPKMPOOITMPKGL-UHFFFAOYSA-N 2 1 292.442 3.686 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1Cl ZINC000643546810 1117794647 /nfs/dbraw/zinc/79/46/47/1117794647.db2.gz VGWSWKZJEVTOSW-OLZOCXBDSA-N 2 1 278.827 3.665 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1csc(Cl)c1 ZINC000643548959 1117799954 /nfs/dbraw/zinc/79/99/54/1117799954.db2.gz XXTSIEYWVYCKJY-PWSUYJOCSA-N 2 1 284.856 3.727 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(Cl)cc1 ZINC000623336834 1117833985 /nfs/dbraw/zinc/83/39/85/1117833985.db2.gz HWULCKCRXJLEAH-SWLSCSKDSA-N 2 1 280.843 3.863 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CCc2cccc3ccccc32)CC1(C)C ZINC000623356793 1117840297 /nfs/dbraw/zinc/84/02/97/1117840297.db2.gz HLNCYYOKNKKXHP-GOSISDBHSA-N 2 1 296.458 3.845 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1C[C@H]1C ZINC000398170817 1117840657 /nfs/dbraw/zinc/84/06/57/1117840657.db2.gz UQFSIZFYQZZUJF-RFLLJTPXSA-N 2 1 286.463 3.531 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1C[C@H]1C ZINC000398170817 1117840663 /nfs/dbraw/zinc/84/06/63/1117840663.db2.gz UQFSIZFYQZZUJF-RFLLJTPXSA-N 2 1 286.463 3.531 20 0 CHADMP C[N@H+]1CC[C@@H](NCc2ccc(-c3ccccc3)o2)CC1(C)C ZINC000623364174 1117842260 /nfs/dbraw/zinc/84/22/60/1117842260.db2.gz XJGYFVXIHBXDRW-MRXNPFEDSA-N 2 1 298.430 3.909 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@H](c2ccccc2)C2CCC2)CC1(C)C ZINC000623401033 1117851353 /nfs/dbraw/zinc/85/13/53/1117851353.db2.gz OOMIRXQJZIKAQM-ZWKOTPCHSA-N 2 1 286.463 3.990 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CCCc2ccc(Cl)cc2)CC1(C)C ZINC000623404707 1117852598 /nfs/dbraw/zinc/85/25/98/1117852598.db2.gz HSLMGJBAHYLQPL-MRXNPFEDSA-N 2 1 294.870 3.735 20 0 CHADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623439687 1117856729 /nfs/dbraw/zinc/85/67/29/1117856729.db2.gz TXQPDHKUPQECLQ-KFWWJZLASA-N 2 1 266.473 3.664 20 0 CHADMP CCC(CC)[C@H](C[NH2+][C@@H](C)CCc1ccco1)[NH+](C)C ZINC000035451850 1117857406 /nfs/dbraw/zinc/85/74/06/1117857406.db2.gz AEPYLUZLOPYHEV-YOEHRIQHSA-N 2 1 280.456 3.557 20 0 CHADMP CC(C)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623495414 1117861906 /nfs/dbraw/zinc/86/19/06/1117861906.db2.gz APZSUJYLPGFSNW-QGZVFWFLSA-N 2 1 274.452 3.772 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3sccc32)CC1(C)C ZINC000623494342 1117862382 /nfs/dbraw/zinc/86/23/82/1117862382.db2.gz NIECYCYPLMWLJQ-JSGCOSHPSA-N 2 1 278.465 3.588 20 0 CHADMP C[C@@H]([NH2+]CCc1cccs1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185709703 1117875564 /nfs/dbraw/zinc/87/55/64/1117875564.db2.gz XVMZOVWWSSPCPM-HUUCEWRRSA-N 2 1 292.492 3.533 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccoc1 ZINC000178012843 1117883171 /nfs/dbraw/zinc/88/31/71/1117883171.db2.gz MZTQBXKDPFFAAA-HNNXBMFYSA-N 2 1 286.419 3.971 20 0 CHADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc3ccccc3s2)C1 ZINC000623656325 1117883925 /nfs/dbraw/zinc/88/39/25/1117883925.db2.gz SAJTWOIQKHBOEB-AWEZNQCLSA-N 2 1 288.460 3.723 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000178025565 1117883958 /nfs/dbraw/zinc/88/39/58/1117883958.db2.gz IZILCNJLZCSCCV-GUXCAODWSA-N 2 1 296.458 3.701 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2cc3ccccc3o2)C1 ZINC000178542049 1117892626 /nfs/dbraw/zinc/89/26/26/1117892626.db2.gz GWPMVASACVCYFN-HNNXBMFYSA-N 2 1 286.419 3.597 20 0 CHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3ccccc3o2)C1 ZINC000178542049 1117892630 /nfs/dbraw/zinc/89/26/30/1117892630.db2.gz GWPMVASACVCYFN-HNNXBMFYSA-N 2 1 286.419 3.597 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3ccccc3o2)C1 ZINC000178542049 1117892637 /nfs/dbraw/zinc/89/26/37/1117892637.db2.gz GWPMVASACVCYFN-HNNXBMFYSA-N 2 1 286.419 3.597 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000178542049 1117892643 /nfs/dbraw/zinc/89/26/43/1117892643.db2.gz GWPMVASACVCYFN-HNNXBMFYSA-N 2 1 286.419 3.597 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000178542049 1117892650 /nfs/dbraw/zinc/89/26/50/1117892650.db2.gz GWPMVASACVCYFN-HNNXBMFYSA-N 2 1 286.419 3.597 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCCc1ccccc1 ZINC000179502982 1117906113 /nfs/dbraw/zinc/90/61/13/1117906113.db2.gz KGGRGMZAVDXCQM-UHFFFAOYSA-N 2 1 285.435 3.536 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCCc1ccccc1 ZINC000179502982 1117906118 /nfs/dbraw/zinc/90/61/18/1117906118.db2.gz KGGRGMZAVDXCQM-UHFFFAOYSA-N 2 1 285.435 3.536 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)o2)cc1 ZINC000179637490 1117908371 /nfs/dbraw/zinc/90/83/71/1117908371.db2.gz KHQQDCJHOQWXJB-INIZCTEOSA-N 2 1 298.430 3.639 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)o2)cc1 ZINC000179637490 1117908373 /nfs/dbraw/zinc/90/83/73/1117908373.db2.gz KHQQDCJHOQWXJB-INIZCTEOSA-N 2 1 298.430 3.639 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CC[C@H](C[NH+](C)C)C3)o2)cc1 ZINC000179637474 1117908928 /nfs/dbraw/zinc/90/89/28/1117908928.db2.gz KHQQDCJHOQWXJB-MRXNPFEDSA-N 2 1 298.430 3.639 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@H](C[NH+](C)C)C3)o2)cc1 ZINC000179637474 1117908931 /nfs/dbraw/zinc/90/89/31/1117908931.db2.gz KHQQDCJHOQWXJB-MRXNPFEDSA-N 2 1 298.430 3.639 20 0 CHADMP C/C(=C\c1ccccc1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000179853374 1117914830 /nfs/dbraw/zinc/91/48/30/1117914830.db2.gz YPVNRFRIVSTHDZ-XEYRCQSKSA-N 2 1 284.447 3.508 20 0 CHADMP C/C(=C\c1ccccc1)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000179853374 1117914834 /nfs/dbraw/zinc/91/48/34/1117914834.db2.gz YPVNRFRIVSTHDZ-XEYRCQSKSA-N 2 1 284.447 3.508 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1cccc(C)c1)C(C)C ZINC000623867508 1117945581 /nfs/dbraw/zinc/94/55/81/1117945581.db2.gz BIKXALKLDLBKGL-SFHVURJKSA-N 2 1 285.435 3.877 20 0 CHADMP C[C@@H](C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C)C(F)(F)F ZINC001208891722 1117952880 /nfs/dbraw/zinc/95/28/80/1117952880.db2.gz LATPWRYRVBLGHV-IHRRRGAJSA-N 2 1 292.389 3.524 20 0 CHADMP C[C@@H](NCCC[N@H+]1CCCC[C@@H]1C)c1ccc(Cl)cn1 ZINC000274974835 1117978889 /nfs/dbraw/zinc/97/88/89/1117978889.db2.gz YLYDZWWJOZTRHD-UONOGXRCSA-N 2 1 295.858 3.650 20 0 CHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000624119848 1117983428 /nfs/dbraw/zinc/98/34/28/1117983428.db2.gz KWEXDPSTKDUESQ-GDBMZVCRSA-N 2 1 290.476 3.545 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@@H](C)c1ccccc1 ZINC000624121180 1117984502 /nfs/dbraw/zinc/98/45/02/1117984502.db2.gz PPARYTJDHMEOBO-IXDOHACOSA-N 2 1 274.452 3.500 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(F)cc1Cl ZINC000624121282 1117985121 /nfs/dbraw/zinc/98/51/21/1117985121.db2.gz SGMWCFUNHRHOJC-OLZOCXBDSA-N 2 1 298.833 3.862 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1Cl ZINC000624121282 1117985123 /nfs/dbraw/zinc/98/51/23/1117985123.db2.gz SGMWCFUNHRHOJC-OLZOCXBDSA-N 2 1 298.833 3.862 20 0 CHADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000624121734 1117985192 /nfs/dbraw/zinc/98/51/92/1117985192.db2.gz CCCZGZBHLWIZEQ-KSSFIOAISA-N 2 1 290.426 3.598 20 0 CHADMP C[C@@H](CCC(C)(C)C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624123962 1117985205 /nfs/dbraw/zinc/98/52/05/1117985205.db2.gz UTJJDTVWQWYLBJ-LSDHHAIUSA-N 2 1 254.462 3.523 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(F)c(Cl)c1 ZINC000624120713 1117985716 /nfs/dbraw/zinc/98/57/16/1117985716.db2.gz FPMDBIBTOOTLDO-QWHCGFSZSA-N 2 1 298.833 3.862 20 0 CHADMP CCC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccsc1 ZINC000624123683 1117986849 /nfs/dbraw/zinc/98/68/49/1117986849.db2.gz QHQKMALCDAODSC-ZBFHGGJFSA-N 2 1 280.481 3.911 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(F)c(F)c2)C(C)C)C1 ZINC000181962047 1118010226 /nfs/dbraw/zinc/01/02/26/1118010226.db2.gz VPNVOHIPIUZNPO-SUMWQHHRSA-N 2 1 296.405 3.593 20 0 CHADMP C[C@H]1C[C@H]([NH2+][C@H]2CCCc3ccc(Cl)cc32)CC[N@@H+]1C ZINC000624220154 1118015643 /nfs/dbraw/zinc/01/56/43/1118015643.db2.gz LIZKAWCPXGJDBL-MJEQTWJJSA-N 2 1 292.854 3.790 20 0 CHADMP C[C@H]1C[C@H]([NH2+][C@H]2CCCc3ccc(Cl)cc32)CC[N@H+]1C ZINC000624220154 1118015648 /nfs/dbraw/zinc/01/56/48/1118015648.db2.gz LIZKAWCPXGJDBL-MJEQTWJJSA-N 2 1 292.854 3.790 20 0 CHADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc(Cl)cc32)CC[N@@H+]1C ZINC000624220155 1118016207 /nfs/dbraw/zinc/01/62/07/1118016207.db2.gz LIZKAWCPXGJDBL-NUTKFTJISA-N 2 1 292.854 3.790 20 0 CHADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc(Cl)cc32)CC[N@H+]1C ZINC000624220155 1118016211 /nfs/dbraw/zinc/01/62/11/1118016211.db2.gz LIZKAWCPXGJDBL-NUTKFTJISA-N 2 1 292.854 3.790 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000360648756 1118026920 /nfs/dbraw/zinc/02/69/20/1118026920.db2.gz SDNXVQQBNLJKHZ-GOSISDBHSA-N 2 1 284.447 3.651 20 0 CHADMP Cc1ccccc1[C@@H]([NH2+]CCc1c[nH+]cn1C)C1CCCC1 ZINC000579545372 1128751875 /nfs/dbraw/zinc/75/18/75/1128751875.db2.gz MSHRLFLUUQYFHT-IBGZPJMESA-N 2 1 297.446 3.792 20 0 CHADMP COc1ccccc1[C@@H](C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000184496303 1118054396 /nfs/dbraw/zinc/05/43/96/1118054396.db2.gz KFSVEORPRCQYAT-HZPDHXFCSA-N 2 1 290.451 3.610 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccnc(Cl)c1 ZINC000089513087 1118056165 /nfs/dbraw/zinc/05/61/65/1118056165.db2.gz XXEOKYGVLWAKDJ-LBPRGKRZSA-N 2 1 295.858 3.649 20 0 CHADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000089513105 1118056315 /nfs/dbraw/zinc/05/63/15/1118056315.db2.gz PCMLWDUXZHEIQL-QGZVFWFLSA-N 2 1 290.426 3.666 20 0 CHADMP C[C@@H](C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)c1cccc(Cl)c1 ZINC000683358849 1118069681 /nfs/dbraw/zinc/06/96/81/1118069681.db2.gz GHYJFALHFNAHJU-YOEHRIQHSA-N 2 1 294.870 3.860 20 0 CHADMP C[C@@H](C[N@H+]1CCC[C@H]([NH+](C)C)CC1)c1cccc(Cl)c1 ZINC000683358849 1118069686 /nfs/dbraw/zinc/06/96/86/1118069686.db2.gz GHYJFALHFNAHJU-YOEHRIQHSA-N 2 1 294.870 3.860 20 0 CHADMP CC(C)C[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398145550 1118088483 /nfs/dbraw/zinc/08/84/83/1118088483.db2.gz XLXWDAIRXWEVPS-JENIJYKNSA-N 2 1 288.479 3.921 20 0 CHADMP CC(C)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398145550 1118088486 /nfs/dbraw/zinc/08/84/86/1118088486.db2.gz XLXWDAIRXWEVPS-JENIJYKNSA-N 2 1 288.479 3.921 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340174647 1118099666 /nfs/dbraw/zinc/09/96/66/1118099666.db2.gz QUKCHISWYNLFIC-HNNXBMFYSA-N 2 1 274.452 3.945 20 0 CHADMP CCC(CC)C[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC001648814383 1118219081 /nfs/dbraw/zinc/21/90/81/1118219081.db2.gz KKSXMVIXWAEBDV-INIZCTEOSA-N 2 1 254.462 3.523 20 0 CHADMP CCC(CC)C[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC001648814384 1118219292 /nfs/dbraw/zinc/21/92/92/1118219292.db2.gz KKSXMVIXWAEBDV-MRXNPFEDSA-N 2 1 254.462 3.523 20 0 CHADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CC[C@@H]1c1ccccc1 ZINC000124432108 1118250814 /nfs/dbraw/zinc/25/08/14/1118250814.db2.gz PYKGCJGKGOSFAL-NEWSRXKRSA-N 2 1 286.463 3.596 20 0 CHADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)CC[C@@H]1c1ccccc1 ZINC000124432108 1118250818 /nfs/dbraw/zinc/25/08/18/1118250818.db2.gz PYKGCJGKGOSFAL-NEWSRXKRSA-N 2 1 286.463 3.596 20 0 CHADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)CC[C@@H]1c1ccccc1 ZINC000124432108 1118250823 /nfs/dbraw/zinc/25/08/23/1118250823.db2.gz PYKGCJGKGOSFAL-NEWSRXKRSA-N 2 1 286.463 3.596 20 0 CHADMP C[C@H]1CC[N@H+](Cc2c3ccccc3[nH]c2C(C)(C)C)CC[NH2+]1 ZINC001210473201 1118293596 /nfs/dbraw/zinc/29/35/96/1118293596.db2.gz BSOVWHGABZYYIF-AWEZNQCLSA-N 2 1 299.462 3.649 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2c3ccccc3[nH]c2C(C)(C)C)CC[NH2+]1 ZINC001210473201 1118293599 /nfs/dbraw/zinc/29/35/99/1118293599.db2.gz BSOVWHGABZYYIF-AWEZNQCLSA-N 2 1 299.462 3.649 20 0 CHADMP CCCc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC001206591522 1128769094 /nfs/dbraw/zinc/76/90/94/1128769094.db2.gz SIDLZHWBOSEUIM-LJQANCHMSA-N 2 1 288.479 3.992 20 0 CHADMP Cc1scc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1C ZINC000399855137 1118333594 /nfs/dbraw/zinc/33/35/94/1118333594.db2.gz MKJBCZRADAXPOS-HOTGVXAUSA-N 2 1 272.417 3.599 20 0 CHADMP CC(C)[N@@H+](CCCCCCC[NH3+])Cc1cccs1 ZINC000042519702 1118335154 /nfs/dbraw/zinc/33/51/54/1118335154.db2.gz OUGFBJSHFYOIBD-UHFFFAOYSA-N 2 1 268.470 3.868 20 0 CHADMP CC(C)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123577660 1118339491 /nfs/dbraw/zinc/33/94/91/1118339491.db2.gz DBFCCOLSOIVMCP-MAUKXSAKSA-N 2 1 274.452 3.725 20 0 CHADMP CC(C)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123577660 1118339496 /nfs/dbraw/zinc/33/94/96/1118339496.db2.gz DBFCCOLSOIVMCP-MAUKXSAKSA-N 2 1 274.452 3.725 20 0 CHADMP CC(C)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000123577660 1118339500 /nfs/dbraw/zinc/33/95/00/1118339500.db2.gz DBFCCOLSOIVMCP-MAUKXSAKSA-N 2 1 274.452 3.725 20 0 CHADMP CC(C)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000123577660 1118339504 /nfs/dbraw/zinc/33/95/04/1118339504.db2.gz DBFCCOLSOIVMCP-MAUKXSAKSA-N 2 1 274.452 3.725 20 0 CHADMP CC[N@@H+](CCC1CC[NH+](CC2(F)CC2)CC1)CC(C)C ZINC000580364331 1118437516 /nfs/dbraw/zinc/43/75/16/1118437516.db2.gz LIYJNHRQYHTDJQ-UHFFFAOYSA-N 2 1 284.463 3.569 20 0 CHADMP CC(C)CC[C@@H]([NH2+]CCCc1c[nH+]cn1C)C(C)(C)C ZINC000568289486 1118457065 /nfs/dbraw/zinc/45/70/65/1118457065.db2.gz HXWDZZWAHXCLGK-MRXNPFEDSA-N 2 1 279.472 3.793 20 0 CHADMP C[C@H](C1CC1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000782190896 1118476830 /nfs/dbraw/zinc/47/68/30/1118476830.db2.gz WCWZCDXEKHOOGG-HZPDHXFCSA-N 2 1 278.484 3.761 20 0 CHADMP CCC[C@@H](CC)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000050400007 1118490758 /nfs/dbraw/zinc/49/07/58/1118490758.db2.gz YBGXMXWVANYDRA-QGZVFWFLSA-N 2 1 274.452 3.819 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(-c2ccncc2)c1 ZINC000349358646 1118525275 /nfs/dbraw/zinc/52/52/75/1118525275.db2.gz XYVMPQOKKSBJQH-UHFFFAOYSA-N 2 1 297.446 3.522 20 0 CHADMP CC(C)[C@H](C[NH2+]C1CCC(C(C)C)CC1)[NH+]1CCCC1 ZINC000109764498 1118581709 /nfs/dbraw/zinc/58/17/09/1118581709.db2.gz USVVYYNNJMFFJV-ABHNRTSZSA-N 2 1 280.500 3.911 20 0 CHADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723691311 1118706848 /nfs/dbraw/zinc/70/68/48/1118706848.db2.gz MAGBJFWOEOBRSY-GHMZBOCLSA-N 2 1 287.234 3.725 20 0 CHADMP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000430694616 1118748352 /nfs/dbraw/zinc/74/83/52/1118748352.db2.gz DUHZHNHPTNELIY-OIISXLGYSA-N 2 1 277.456 3.776 20 0 CHADMP CCSc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC)C2)c1 ZINC000349564329 1118754759 /nfs/dbraw/zinc/75/47/59/1118754759.db2.gz KGKIDOXTFBSPLN-MRXNPFEDSA-N 2 1 292.492 3.620 20 0 CHADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000131519875 1118760797 /nfs/dbraw/zinc/76/07/97/1118760797.db2.gz PAQZEXNTSOUZGE-DOTOQJQBSA-N 2 1 280.415 3.523 20 0 CHADMP CCCC[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000211868221 1118763543 /nfs/dbraw/zinc/76/35/43/1118763543.db2.gz OFURFURJEZUBTE-GOSISDBHSA-N 2 1 290.426 3.667 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000510694514 1118789188 /nfs/dbraw/zinc/78/91/88/1118789188.db2.gz IKINYVAPNUEEPQ-OGWHTMIXSA-N 2 1 292.511 3.913 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1=CCCC1 ZINC000401183127 1118808981 /nfs/dbraw/zinc/80/89/81/1118808981.db2.gz VWZSNKOQCQGDDG-QFBILLFUSA-N 2 1 284.447 3.597 20 0 CHADMP c1cc(C[NH+]2CCC([NH2+]CC3CC3)CC2)cc(C2CC2)c1 ZINC000133628194 1118866892 /nfs/dbraw/zinc/86/68/92/1118866892.db2.gz CYZMDQZVFBOPOS-UHFFFAOYSA-N 2 1 284.447 3.528 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)c(F)c2)C1 ZINC000535777450 1118884646 /nfs/dbraw/zinc/88/46/46/1118884646.db2.gz GTYFQULJZVNJAR-STQMWFEESA-N 2 1 298.833 3.862 20 0 CHADMP CC(C)(C)c1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)s1 ZINC000261999498 1118905023 /nfs/dbraw/zinc/90/50/23/1118905023.db2.gz LFHWMSREHYRBPM-UHFFFAOYSA-N 2 1 292.492 3.621 20 0 CHADMP C[N@@H+](CCCC1CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001167506249 1118953995 /nfs/dbraw/zinc/95/39/95/1118953995.db2.gz ZZOOZWSLKFOCFW-LJQANCHMSA-N 2 1 286.463 3.631 20 0 CHADMP C[NH+](CCCC1CC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001167506249 1118953998 /nfs/dbraw/zinc/95/39/98/1118953998.db2.gz ZZOOZWSLKFOCFW-LJQANCHMSA-N 2 1 286.463 3.631 20 0 CHADMP C[NH+](CCCC1CC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001167506249 1118954003 /nfs/dbraw/zinc/95/40/03/1118954003.db2.gz ZZOOZWSLKFOCFW-LJQANCHMSA-N 2 1 286.463 3.631 20 0 CHADMP Cc1ccc2[nH]c(C[NH2+]CCC[N@H+](C)C(C)C)cc2c1C ZINC000472061761 1118954903 /nfs/dbraw/zinc/95/49/03/1118954903.db2.gz GMIWTNLLPGIUEJ-UHFFFAOYSA-N 2 1 287.451 3.605 20 0 CHADMP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CCC[NH+](C)C ZINC000431331303 1118983348 /nfs/dbraw/zinc/98/33/48/1118983348.db2.gz HWCYMOZEIOPZFJ-KRWDZBQOSA-N 2 1 290.451 3.565 20 0 CHADMP C[C@H](C1CC1)[N@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000582070750 1119000756 /nfs/dbraw/zinc/00/07/56/1119000756.db2.gz WTZKCCDKVLRTHE-MRXNPFEDSA-N 2 1 297.446 3.653 20 0 CHADMP C[C@H](C1CC1)[N@@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000582070750 1119000759 /nfs/dbraw/zinc/00/07/59/1119000759.db2.gz WTZKCCDKVLRTHE-MRXNPFEDSA-N 2 1 297.446 3.653 20 0 CHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CC=CC2)CC1 ZINC000684836302 1119060732 /nfs/dbraw/zinc/06/07/32/1119060732.db2.gz UPFRCUOIIXHHKO-UHFFFAOYSA-N 2 1 284.447 3.738 20 0 CHADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2SC)C1 ZINC000511110203 1119067099 /nfs/dbraw/zinc/06/70/99/1119067099.db2.gz LXCITDNXLHHWCL-OAHLLOKOSA-N 2 1 292.492 3.572 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2SC)C1 ZINC000511110203 1119067104 /nfs/dbraw/zinc/06/71/04/1119067104.db2.gz LXCITDNXLHHWCL-OAHLLOKOSA-N 2 1 292.492 3.572 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2SC)C1 ZINC000511110203 1119067108 /nfs/dbraw/zinc/06/71/08/1119067108.db2.gz LXCITDNXLHHWCL-OAHLLOKOSA-N 2 1 292.492 3.572 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2SC)C1 ZINC000511110203 1119067113 /nfs/dbraw/zinc/06/71/13/1119067113.db2.gz LXCITDNXLHHWCL-OAHLLOKOSA-N 2 1 292.492 3.572 20 0 CHADMP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000049554240 1119104005 /nfs/dbraw/zinc/10/40/05/1119104005.db2.gz XDRJGSKNDNLASX-FZMZJTMJSA-N 2 1 298.883 3.807 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CCC(C)(C)C ZINC000342735452 1119148303 /nfs/dbraw/zinc/14/83/03/1119148303.db2.gz ORXVJFNLNPZWKA-UONOGXRCSA-N 2 1 265.445 3.632 20 0 CHADMP Cc1ccc([C@H](C)C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000628213895 1128829268 /nfs/dbraw/zinc/82/92/68/1128829268.db2.gz CKKCBVHHZZEKGB-MSOLQXFVSA-N 2 1 288.479 3.809 20 0 CHADMP Cc1nccn1CCC[N@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000342864163 1119216573 /nfs/dbraw/zinc/21/65/73/1119216573.db2.gz LSGMARSBEVTXLN-SFHVURJKSA-N 2 1 297.446 3.707 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000342864163 1119216576 /nfs/dbraw/zinc/21/65/76/1119216576.db2.gz LSGMARSBEVTXLN-SFHVURJKSA-N 2 1 297.446 3.707 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000342864163 1119216578 /nfs/dbraw/zinc/21/65/78/1119216578.db2.gz LSGMARSBEVTXLN-SFHVURJKSA-N 2 1 297.446 3.707 20 0 CHADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000685054609 1119258361 /nfs/dbraw/zinc/25/83/61/1119258361.db2.gz OBXGPAAQJKKARV-MELADBBJSA-N 2 1 292.389 3.524 20 0 CHADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000685054609 1119258364 /nfs/dbraw/zinc/25/83/64/1119258364.db2.gz OBXGPAAQJKKARV-MELADBBJSA-N 2 1 292.389 3.524 20 0 CHADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000685054609 1119258366 /nfs/dbraw/zinc/25/83/66/1119258366.db2.gz OBXGPAAQJKKARV-MELADBBJSA-N 2 1 292.389 3.524 20 0 CHADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000685054608 1119258644 /nfs/dbraw/zinc/25/86/44/1119258644.db2.gz OBXGPAAQJKKARV-MCIONIFRSA-N 2 1 292.389 3.524 20 0 CHADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000685054608 1119258648 /nfs/dbraw/zinc/25/86/48/1119258648.db2.gz OBXGPAAQJKKARV-MCIONIFRSA-N 2 1 292.389 3.524 20 0 CHADMP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000685054608 1119258650 /nfs/dbraw/zinc/25/86/50/1119258650.db2.gz OBXGPAAQJKKARV-MCIONIFRSA-N 2 1 292.389 3.524 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1 ZINC000148483037 1119265381 /nfs/dbraw/zinc/26/53/81/1119265381.db2.gz YZGHAOLYPGNJJY-YLJYHZDGSA-N 2 1 294.442 3.687 20 0 CHADMP Clc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000343097597 1119309986 /nfs/dbraw/zinc/30/99/86/1119309986.db2.gz VBZKJCFXWGCQFY-ZMSDIMECSA-N 2 1 290.838 3.544 20 0 CHADMP Cc1cc(C[NH+]2CCC([NH2+]C(C)C)CC2)c2ccccc2n1 ZINC000124491310 1119314814 /nfs/dbraw/zinc/31/48/14/1119314814.db2.gz LYBMFYVDOQPNSG-UHFFFAOYSA-N 2 1 297.446 3.506 20 0 CHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000583288791 1119334795 /nfs/dbraw/zinc/33/47/95/1119334795.db2.gz RMNRTEYGYZILJO-JKSUJKDBSA-N 2 1 266.473 3.667 20 0 CHADMP C[N@@H+](CCC[NH2+]C1CC2(CCC2)C1)C1CCCCC1 ZINC000448069356 1119373563 /nfs/dbraw/zinc/37/35/63/1119373563.db2.gz MRGIZAJMJDSPOQ-UHFFFAOYSA-N 2 1 264.457 3.563 20 0 CHADMP C[C@@H](NCC[N@@H+]1CC[C@@H](C)C1)c1cccc(C2CC2)c1 ZINC000583645428 1119390264 /nfs/dbraw/zinc/39/02/64/1119390264.db2.gz WJJPJZNTHDHTNJ-HUUCEWRRSA-N 2 1 272.436 3.556 20 0 CHADMP C[C@@H](NCC[N@H+]1CC[C@@H](C)C1)c1cccc(C2CC2)c1 ZINC000583645428 1119390266 /nfs/dbraw/zinc/39/02/66/1119390266.db2.gz WJJPJZNTHDHTNJ-HUUCEWRRSA-N 2 1 272.436 3.556 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000343503544 1119436248 /nfs/dbraw/zinc/43/62/48/1119436248.db2.gz FREQAUCBXQCQAX-QWQRMKEZSA-N 2 1 283.419 3.666 20 0 CHADMP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000151221104 1119439425 /nfs/dbraw/zinc/43/94/25/1119439425.db2.gz UKAJMDICVIGJTD-FUHWJXTLSA-N 2 1 288.479 3.674 20 0 CHADMP CCCC[C@H](C)[C@@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000343545612 1119449305 /nfs/dbraw/zinc/44/93/05/1119449305.db2.gz YWGNIRDLMHAPCH-LSDHHAIUSA-N 2 1 265.445 3.776 20 0 CHADMP CCCC[C@H](C)[C@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000343545610 1119449856 /nfs/dbraw/zinc/44/98/56/1119449856.db2.gz YWGNIRDLMHAPCH-GJZGRUSLSA-N 2 1 265.445 3.776 20 0 CHADMP C[C@@H]1CCC[NH+]1Cc1cccc(C[N@@H+]2CCC[C@H]2C)c1 ZINC000343742142 1119500353 /nfs/dbraw/zinc/50/03/53/1119500353.db2.gz OTWSOPPFAYYKDG-HZPDHXFCSA-N 2 1 272.436 3.655 20 0 CHADMP C[C@@H]([NH2+]C[C@H](C1CCCCC1)[NH+](C)C)C(C)(C)C(F)F ZINC000657839804 1119503245 /nfs/dbraw/zinc/50/32/45/1119503245.db2.gz GXQFHCCLXJSUPJ-TZMCWYRMSA-N 2 1 290.442 3.766 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000565143760 1119525622 /nfs/dbraw/zinc/52/56/22/1119525622.db2.gz PUMNQPNKKCVUTP-UHFFFAOYSA-N 2 1 296.405 3.531 20 0 CHADMP c1ccc(CC2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000090392629 1119544710 /nfs/dbraw/zinc/54/47/10/1119544710.db2.gz BHGOVFZRWALYQI-RTBURBONSA-N 2 1 298.474 3.616 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ccccc1C)C(C)C ZINC000091288161 1119554823 /nfs/dbraw/zinc/55/48/23/1119554823.db2.gz DZKUMWVCPKSPOT-GOSISDBHSA-N 2 1 285.435 3.877 20 0 CHADMP CC(C)[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccnc1 ZINC000091265807 1119554766 /nfs/dbraw/zinc/55/47/66/1119554766.db2.gz BTUDSNCFLQNIFW-FUHWJXTLSA-N 2 1 289.467 3.633 20 0 CHADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000657875369 1119588969 /nfs/dbraw/zinc/58/89/69/1119588969.db2.gz DAZJSULJVYQSMF-NVXWUHKLSA-N 2 1 294.870 3.593 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2ccc(C)cc2)[C@@H](C)C1 ZINC000544071467 1119621269 /nfs/dbraw/zinc/62/12/69/1119621269.db2.gz ZOKGMPNFCBPRAW-PKOBYXMFSA-N 2 1 288.479 3.590 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2ccc(C)cc2)[C@@H](C)C1 ZINC000544071467 1119621273 /nfs/dbraw/zinc/62/12/73/1119621273.db2.gz ZOKGMPNFCBPRAW-PKOBYXMFSA-N 2 1 288.479 3.590 20 0 CHADMP CC(C)[C@H](C)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309650280 1119625367 /nfs/dbraw/zinc/62/53/67/1119625367.db2.gz GFNBGDUALZYRMN-FUHWJXTLSA-N 2 1 274.452 3.533 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](C)Cc2ccccc2)C1 ZINC000182042754 1119645081 /nfs/dbraw/zinc/64/50/81/1119645081.db2.gz FAOUDDGZQBFAMT-HKUYNNGSSA-N 2 1 288.479 3.529 20 0 CHADMP CC(C)[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(F)cc1 ZINC000146572638 1119660924 /nfs/dbraw/zinc/66/09/24/1119660924.db2.gz WSXHNJGSDFQRME-KRWDZBQOSA-N 2 1 278.415 3.520 20 0 CHADMP CC(C)[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(F)cc1 ZINC000146572638 1119660926 /nfs/dbraw/zinc/66/09/26/1119660926.db2.gz WSXHNJGSDFQRME-KRWDZBQOSA-N 2 1 278.415 3.520 20 0 CHADMP CC(C)[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccc(F)cc1 ZINC000146572638 1119660927 /nfs/dbraw/zinc/66/09/27/1119660927.db2.gz WSXHNJGSDFQRME-KRWDZBQOSA-N 2 1 278.415 3.520 20 0 CHADMP C[C@@H]([NH2+]CCC(C)(C)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658191122 1119698038 /nfs/dbraw/zinc/69/80/38/1119698038.db2.gz KNWGDPXXHJBAKK-WBVHZDCISA-N 2 1 292.442 3.625 20 0 CHADMP CC1(C)C[C@]1(C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658305763 1119716485 /nfs/dbraw/zinc/71/64/85/1119716485.db2.gz UMEUBDLYLHANPB-GNBUJSLZSA-N 2 1 298.474 3.960 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccs2)C[C@@H]1c1ccccc1 ZINC000340182704 1119745270 /nfs/dbraw/zinc/74/52/70/1119745270.db2.gz NLDMSCYNHLJWFK-DOTOQJQBSA-N 2 1 286.444 3.673 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccs2)C[C@@H]1c1ccccc1 ZINC000340182704 1119745274 /nfs/dbraw/zinc/74/52/74/1119745274.db2.gz NLDMSCYNHLJWFK-DOTOQJQBSA-N 2 1 286.444 3.673 20 0 CHADMP C[C@@H](C[N@@H+](C1CC1)C1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000647482473 1119793635 /nfs/dbraw/zinc/79/36/35/1119793635.db2.gz HTSFXLPSAFZMKH-ZDUSSCGKSA-N 2 1 292.854 3.660 20 0 CHADMP CC(C)c1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000154745033 1119828573 /nfs/dbraw/zinc/82/85/73/1119828573.db2.gz DXPPAIUHKHRXED-UHFFFAOYSA-N 2 1 274.452 3.584 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)[C@@H]1CC1(C)C ZINC000414111333 1119901851 /nfs/dbraw/zinc/90/18/51/1119901851.db2.gz IYKZWWOTWWFCER-PMPSAXMXSA-N 2 1 266.473 3.521 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000414171148 1119925727 /nfs/dbraw/zinc/92/57/27/1119925727.db2.gz CRELTJPAVBCXHC-CAMMJAKZSA-N 2 1 286.463 3.500 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cc2c(s1)CCC2 ZINC000414171241 1119925951 /nfs/dbraw/zinc/92/59/51/1119925951.db2.gz CWJXUXJMGQZPCL-KGLIPLIRSA-N 2 1 292.492 3.619 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc(C)c1F ZINC000414177066 1119927998 /nfs/dbraw/zinc/92/79/98/1119927998.db2.gz JLIQHGGMTGZLEF-CVEARBPZSA-N 2 1 292.442 3.825 20 0 CHADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc12 ZINC000414208742 1119939731 /nfs/dbraw/zinc/93/97/31/1119939731.db2.gz JDZOKMYTUGBUQE-ROUUACIJSA-N 2 1 294.442 3.865 20 0 CHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc12 ZINC000414210416 1119941187 /nfs/dbraw/zinc/94/11/87/1119941187.db2.gz MWTKPRBJADWUKM-NVXWUHKLSA-N 2 1 282.431 3.721 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc(F)cc(F)c1 ZINC000160136468 1119947737 /nfs/dbraw/zinc/94/77/37/1119947737.db2.gz GDDZOFYYAFCZEY-CQSZACIVSA-N 2 1 296.405 3.709 20 0 CHADMP CC[N@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccc(F)cc1 ZINC001140805277 1119955305 /nfs/dbraw/zinc/95/53/05/1119955305.db2.gz ZAPZTHBFXQUBNK-UHFFFAOYSA-N 2 1 283.350 3.724 20 0 CHADMP CC[N@@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccc(F)cc1 ZINC001140805277 1119955309 /nfs/dbraw/zinc/95/53/09/1119955309.db2.gz ZAPZTHBFXQUBNK-UHFFFAOYSA-N 2 1 283.350 3.724 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(C(C)(C)C)oc1C ZINC000892622393 1119988498 /nfs/dbraw/zinc/98/84/98/1119988498.db2.gz KGWJPZJFUFJUKY-UHFFFAOYSA-N 2 1 289.423 3.570 20 0 CHADMP CC(C)[NH+](CC[NH2+][C@@H]1CCC[C@@H](C)CC1)C(C)C ZINC000086878144 1120034907 /nfs/dbraw/zinc/03/49/07/1120034907.db2.gz RBWCEZRPQBSTLW-HZPDHXFCSA-N 2 1 254.462 3.664 20 0 CHADMP CCCCC1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166359916 1120042414 /nfs/dbraw/zinc/04/24/14/1120042414.db2.gz NCMWWFZFPFWNGI-OPQOLIRYSA-N 2 1 278.484 3.952 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2C=CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000090393493 1120060113 /nfs/dbraw/zinc/06/01/13/1120060113.db2.gz IRBSGCFTVVLZGM-NZSAHSFTSA-N 2 1 284.447 3.738 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2C=CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000090393493 1120060118 /nfs/dbraw/zinc/06/01/18/1120060118.db2.gz IRBSGCFTVVLZGM-NZSAHSFTSA-N 2 1 284.447 3.738 20 0 CHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000624121149 1120076071 /nfs/dbraw/zinc/07/60/71/1120076071.db2.gz PFJWVGCUEKBJEA-DYVFJYSZSA-N 2 1 292.854 3.649 20 0 CHADMP C[C@H]([NH2+][C@@H](C)C1(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000394559825 1120150147 /nfs/dbraw/zinc/15/01/47/1120150147.db2.gz MEDITTUULVXWQH-XYJFISCASA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CC[C@@H]1CCCC[NH+]1C ZINC000472730400 1120156196 /nfs/dbraw/zinc/15/61/96/1120156196.db2.gz BHFFNAOHOCPZLK-QRQLOZEOSA-N 2 1 286.463 3.739 20 0 CHADMP C[C@@H]1C[C@@H](c2ccccc2)C[NH+]1CC[C@@H]1CCCC[N@@H+]1C ZINC000472730400 1120156198 /nfs/dbraw/zinc/15/61/98/1120156198.db2.gz BHFFNAOHOCPZLK-QRQLOZEOSA-N 2 1 286.463 3.739 20 0 CHADMP CC1(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000309819351 1120180369 /nfs/dbraw/zinc/18/03/69/1120180369.db2.gz YZVPXVQNAGSATK-LJQANCHMSA-N 2 1 286.463 3.678 20 0 CHADMP CC[N@H+](C)C[C@H]1CCN(c2cc(C)c3ccc(C)cc3[nH+]2)C1 ZINC000460966765 1120204102 /nfs/dbraw/zinc/20/41/02/1120204102.db2.gz YBJSBSAXAIKVEL-MRXNPFEDSA-N 2 1 297.446 3.630 20 0 CHADMP CC[N@@H+](C)C[C@H]1CCN(c2cc(C)c3ccc(C)cc3[nH+]2)C1 ZINC000460966765 1120204105 /nfs/dbraw/zinc/20/41/05/1120204105.db2.gz YBJSBSAXAIKVEL-MRXNPFEDSA-N 2 1 297.446 3.630 20 0 CHADMP CC/C=C\C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000517029690 1120220967 /nfs/dbraw/zinc/22/09/67/1120220967.db2.gz AYDBZWGXQYIADG-BKSIFSGMSA-N 2 1 284.447 3.739 20 0 CHADMP CC/C=C\C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000517029690 1120220969 /nfs/dbraw/zinc/22/09/69/1120220969.db2.gz AYDBZWGXQYIADG-BKSIFSGMSA-N 2 1 284.447 3.739 20 0 CHADMP C1=CCC(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000659877871 1120243105 /nfs/dbraw/zinc/24/31/05/1120243105.db2.gz LJVZIPLJCRJDGY-SFHVURJKSA-N 2 1 276.468 3.541 20 0 CHADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168684592 1120244213 /nfs/dbraw/zinc/24/42/13/1120244213.db2.gz KPMANAHJOBSIHG-OAHLLOKOSA-N 2 1 294.870 3.519 20 0 CHADMP CCC[N@@H+](Cc1cc(C)cc(C)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236843432 1128905173 /nfs/dbraw/zinc/90/51/73/1128905173.db2.gz OBQDDQPUMVTOPK-OAHLLOKOSA-N 2 1 294.870 3.778 20 0 CHADMP CCC[N@H+](Cc1cc(C)cc(C)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236843432 1128905175 /nfs/dbraw/zinc/90/51/75/1128905175.db2.gz OBQDDQPUMVTOPK-OAHLLOKOSA-N 2 1 294.870 3.778 20 0 CHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCC(C)(C)C)[C@@H](C)C1 ZINC000499631656 1120373194 /nfs/dbraw/zinc/37/31/94/1120373194.db2.gz COAOCOPXXRLLOK-IRXDYDNUSA-N 2 1 298.515 3.539 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccc(Cl)cc2)C1 ZINC000300529229 1120375542 /nfs/dbraw/zinc/37/55/42/1120375542.db2.gz MLYBTVPKRWLRNP-GDBMZVCRSA-N 2 1 294.870 3.591 20 0 CHADMP C(CC1CCC1)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000660114226 1120381653 /nfs/dbraw/zinc/38/16/53/1120381653.db2.gz GIXUJUSZQUVWQX-WMZOPIPTSA-N 2 1 276.468 3.515 20 0 CHADMP C(CC1CCC1)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000660114226 1120381658 /nfs/dbraw/zinc/38/16/58/1120381658.db2.gz GIXUJUSZQUVWQX-WMZOPIPTSA-N 2 1 276.468 3.515 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(C(C)C)c1 ZINC000660118783 1120385882 /nfs/dbraw/zinc/38/58/82/1120385882.db2.gz WSHHQLSDCYQLSQ-UHFFFAOYSA-N 2 1 285.435 3.837 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(C(C)C)c1 ZINC000660118783 1120385889 /nfs/dbraw/zinc/38/58/89/1120385889.db2.gz WSHHQLSDCYQLSQ-UHFFFAOYSA-N 2 1 285.435 3.837 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(C3CCCC3)c2)CC1 ZINC000657426697 1120452999 /nfs/dbraw/zinc/45/29/99/1120452999.db2.gz DVTMUGICJVQXQF-UHFFFAOYSA-N 2 1 284.447 3.696 20 0 CHADMP C[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000119704634 1120479511 /nfs/dbraw/zinc/47/95/11/1120479511.db2.gz NQKKSPDYDBRVHA-LIRRHRJNSA-N 2 1 284.447 3.841 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000783220184 1120513392 /nfs/dbraw/zinc/51/33/92/1120513392.db2.gz AFJHMZWLBNVUAR-MDZRGWNJSA-N 2 1 286.463 3.807 20 0 CHADMP CC[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000500116481 1120515042 /nfs/dbraw/zinc/51/50/42/1120515042.db2.gz ORWXREKYGJCYAC-QXAKKESOSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@H](C[NH2+][C@@H]1CCSc2c(Cl)cccc21)C[NH+](C)C ZINC000425946974 1120524630 /nfs/dbraw/zinc/52/46/30/1120524630.db2.gz YUJWNIWDNCBQPR-BXUZGUMPSA-N 2 1 298.883 3.664 20 0 CHADMP Cc1c[nH+]c(NCCC[N@H+]2CCCC[C@@H]2C)c2[nH]ccc21 ZINC001167752103 1120542438 /nfs/dbraw/zinc/54/24/38/1120542438.db2.gz SBUSDZVQRPPDDW-AWEZNQCLSA-N 2 1 286.423 3.548 20 0 CHADMP Cc1c[nH+]c(NCCC[N@@H+]2CCCC[C@@H]2C)c2[nH]ccc21 ZINC001167752103 1120542443 /nfs/dbraw/zinc/54/24/43/1120542443.db2.gz SBUSDZVQRPPDDW-AWEZNQCLSA-N 2 1 286.423 3.548 20 0 CHADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cc2ccccc2s1 ZINC000499926501 1120552703 /nfs/dbraw/zinc/55/27/03/1120552703.db2.gz GXOCVHYXBHADQR-UHFFFAOYSA-N 2 1 288.460 3.819 20 0 CHADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc2ccccc2s1 ZINC000499926501 1120552707 /nfs/dbraw/zinc/55/27/07/1120552707.db2.gz GXOCVHYXBHADQR-UHFFFAOYSA-N 2 1 288.460 3.819 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCNc1ccccc1C(C)(C)[NH3+] ZINC001167755018 1120553167 /nfs/dbraw/zinc/55/31/67/1120553167.db2.gz YMIRCQRRICDYEC-OAHLLOKOSA-N 2 1 289.467 3.557 20 0 CHADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCc2ccc(Cl)cc21 ZINC000499951168 1120560507 /nfs/dbraw/zinc/56/05/07/1120560507.db2.gz ROUZTUKXEFVGAH-QGZVFWFLSA-N 2 1 292.854 3.745 20 0 CHADMP C[NH+](C)CC(C)(C)CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000020010074 1120579892 /nfs/dbraw/zinc/57/98/92/1120579892.db2.gz RVTYSDFUAHUJNR-UHFFFAOYSA-N 2 1 291.826 3.888 20 0 CHADMP CC[N@@H+](CCC1CC[NH+](CC[C@H](C)F)CC1)CC1CC1 ZINC000508990113 1120580456 /nfs/dbraw/zinc/58/04/56/1120580456.db2.gz DPYLGQRKLUZADS-HNNXBMFYSA-N 2 1 284.463 3.569 20 0 CHADMP c1nc([C@H]2CCC[N@H+](CCC3CCC3)C2)n2c1CCCC2 ZINC000660481544 1120636945 /nfs/dbraw/zinc/63/69/45/1120636945.db2.gz QJRIQQWFRAPXMA-INIZCTEOSA-N 2 1 287.451 3.589 20 0 CHADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC[C@@H]1CCc3ccccc31)C2 ZINC000660660265 1120674197 /nfs/dbraw/zinc/67/41/97/1120674197.db2.gz FLWNSAPRNDBHSI-ICSRJNTNSA-N 2 1 298.474 3.524 20 0 CHADMP C[C@@H]([NH3+])[C@H]([NH2+]CC(C)(C)CC(F)(F)F)c1ccccc1 ZINC000925715798 1120675971 /nfs/dbraw/zinc/67/59/71/1120675971.db2.gz HUYPKLBMSPQJHG-YPMHNXCESA-N 2 1 288.357 3.643 20 0 CHADMP C(CC[N@H+]1C[C@@H]2CCCC[C@@H]21)C[NH+]1C[C@@H]2CCCC[C@@H]21 ZINC000660932837 1120705297 /nfs/dbraw/zinc/70/52/97/1120705297.db2.gz DKNOMRSBUMAYNQ-XSLAGTTESA-N 2 1 276.468 3.515 20 0 CHADMP CCCCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000253620312 1128935126 /nfs/dbraw/zinc/93/51/26/1128935126.db2.gz UEZDVZOPGUTSGG-IAGOWNOFSA-N 2 1 266.473 3.763 20 0 CHADMP CCCCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000253620312 1128935129 /nfs/dbraw/zinc/93/51/29/1128935129.db2.gz UEZDVZOPGUTSGG-IAGOWNOFSA-N 2 1 266.473 3.763 20 0 CHADMP CCCCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000253620312 1128935132 /nfs/dbraw/zinc/93/51/32/1128935132.db2.gz UEZDVZOPGUTSGG-IAGOWNOFSA-N 2 1 266.473 3.763 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCCC[C@H]2C)C1 ZINC000651706116 1120717201 /nfs/dbraw/zinc/71/72/01/1120717201.db2.gz TUBYIHJEDTZSGA-IKGGRYGDSA-N 2 1 266.473 3.665 20 0 CHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc2ncccc12 ZINC000661137560 1120726962 /nfs/dbraw/zinc/72/69/62/1120726962.db2.gz QLATYPXHWIAVRH-KRWDZBQOSA-N 2 1 297.446 3.541 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc2ncccc12 ZINC000661137560 1120726965 /nfs/dbraw/zinc/72/69/65/1120726965.db2.gz QLATYPXHWIAVRH-KRWDZBQOSA-N 2 1 297.446 3.541 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccc2ncccc12 ZINC000661137560 1120726967 /nfs/dbraw/zinc/72/69/67/1120726967.db2.gz QLATYPXHWIAVRH-KRWDZBQOSA-N 2 1 297.446 3.541 20 0 CHADMP C[C@H]1CCCCC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000651725098 1120727696 /nfs/dbraw/zinc/72/76/96/1120727696.db2.gz SJMKXKNEMIOVOH-UCHQMPSGSA-N 2 1 264.457 3.560 20 0 CHADMP C[C@H]1CCCCC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000651725098 1120727699 /nfs/dbraw/zinc/72/76/99/1120727699.db2.gz SJMKXKNEMIOVOH-UCHQMPSGSA-N 2 1 264.457 3.560 20 0 CHADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000257709776 1120742903 /nfs/dbraw/zinc/74/29/03/1120742903.db2.gz NMFDGRWHHCXPOB-MAUKXSAKSA-N 2 1 272.436 3.556 20 0 CHADMP CC(C)c1ccc2c(c1)C[N@H+](CCCc1cncn1C)CC2 ZINC000661375555 1120757818 /nfs/dbraw/zinc/75/78/18/1120757818.db2.gz OTFUIRZTVFVGKS-UHFFFAOYSA-N 2 1 297.446 3.534 20 0 CHADMP CC(C)c1ccc2c(c1)C[N@@H+](CCCc1c[nH+]cn1C)CC2 ZINC000661375555 1120757823 /nfs/dbraw/zinc/75/78/23/1120757823.db2.gz OTFUIRZTVFVGKS-UHFFFAOYSA-N 2 1 297.446 3.534 20 0 CHADMP CC(C)c1ccc2c(c1)C[N@H+](CCCc1c[nH+]cn1C)CC2 ZINC000661375555 1120757828 /nfs/dbraw/zinc/75/78/28/1120757828.db2.gz OTFUIRZTVFVGKS-UHFFFAOYSA-N 2 1 297.446 3.534 20 0 CHADMP c1cc2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c2s1 ZINC000651863416 1120764844 /nfs/dbraw/zinc/76/48/44/1120764844.db2.gz IBWDLYSSTFUUCX-JKSUJKDBSA-N 2 1 286.444 3.618 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661432983 1120765365 /nfs/dbraw/zinc/76/53/65/1120765365.db2.gz FTAFFFALWVVRHJ-QGZVFWFLSA-N 2 1 299.418 3.563 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661432983 1120765368 /nfs/dbraw/zinc/76/53/68/1120765368.db2.gz FTAFFFALWVVRHJ-QGZVFWFLSA-N 2 1 299.418 3.563 20 0 CHADMP CC[N@H+](CCC[NH2+]Cc1ccncc1C)C1CCCCC1 ZINC000651910469 1120775815 /nfs/dbraw/zinc/77/58/15/1120775815.db2.gz VCEKSEZIOPGTLZ-UHFFFAOYSA-N 2 1 289.467 3.524 20 0 CHADMP CC[N@@H+](CCC[NH2+]Cc1ccncc1C)C1CCCCC1 ZINC000651910469 1120775820 /nfs/dbraw/zinc/77/58/20/1120775820.db2.gz VCEKSEZIOPGTLZ-UHFFFAOYSA-N 2 1 289.467 3.524 20 0 CHADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000652222676 1120801711 /nfs/dbraw/zinc/80/17/11/1120801711.db2.gz VEDXFXGOEFLPIT-INIZCTEOSA-N 2 1 299.462 3.863 20 0 CHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000652222676 1120801713 /nfs/dbraw/zinc/80/17/13/1120801713.db2.gz VEDXFXGOEFLPIT-INIZCTEOSA-N 2 1 299.462 3.863 20 0 CHADMP CC1=C[C@@H](C)C[NH+]([C@H](C)CC[N@@H+]2CC(C)=C[C@H](C)C2)C1 ZINC000430264918 1120855354 /nfs/dbraw/zinc/85/53/54/1120855354.db2.gz CDQPZDHTPDYCRJ-YXJHDRRASA-N 2 1 276.468 3.561 20 0 CHADMP CC1=C[C@@H](C)C[N@@H+]([C@H](C)CC[NH+]2CC(C)=C[C@H](C)C2)C1 ZINC000430264918 1120855357 /nfs/dbraw/zinc/85/53/57/1120855357.db2.gz CDQPZDHTPDYCRJ-YXJHDRRASA-N 2 1 276.468 3.561 20 0 CHADMP CC1=C[C@@H](C)C[N@H+]([C@H](C)CC[NH+]2CC(C)=C[C@H](C)C2)C1 ZINC000430264918 1120855359 /nfs/dbraw/zinc/85/53/59/1120855359.db2.gz CDQPZDHTPDYCRJ-YXJHDRRASA-N 2 1 276.468 3.561 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@H]1CCc2ccccc21 ZINC000662199041 1120896108 /nfs/dbraw/zinc/89/61/08/1120896108.db2.gz XXWTXQKFZGCZPA-GOSISDBHSA-N 2 1 297.446 3.634 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@H]1CCc2ccccc21 ZINC000662199041 1120896111 /nfs/dbraw/zinc/89/61/11/1120896111.db2.gz XXWTXQKFZGCZPA-GOSISDBHSA-N 2 1 297.446 3.634 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000162086029 1120935439 /nfs/dbraw/zinc/93/54/39/1120935439.db2.gz JPRSTHSCXRSUOS-CRAIPNDOSA-N 2 1 283.419 3.665 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000162086029 1120935443 /nfs/dbraw/zinc/93/54/43/1120935443.db2.gz JPRSTHSCXRSUOS-CRAIPNDOSA-N 2 1 283.419 3.665 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)C2(C)CC2)CC1 ZINC000162156793 1120936649 /nfs/dbraw/zinc/93/66/49/1120936649.db2.gz FCZVSCFLSSVPJO-INIZCTEOSA-N 2 1 286.463 3.738 20 0 CHADMP CC(C)[N@@H+](C)CCCN[C@H](C)c1ccc(Cl)cc1 ZINC000221924009 1120936841 /nfs/dbraw/zinc/93/68/41/1120936841.db2.gz ICZUXVKYPZOXJK-CYBMUJFWSA-N 2 1 268.832 3.721 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000221924009 1120936845 /nfs/dbraw/zinc/93/68/45/1120936845.db2.gz ICZUXVKYPZOXJK-CYBMUJFWSA-N 2 1 268.832 3.721 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000221924009 1120936848 /nfs/dbraw/zinc/93/68/48/1120936848.db2.gz ICZUXVKYPZOXJK-CYBMUJFWSA-N 2 1 268.832 3.721 20 0 CHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CCC1 ZINC000398800671 1120945564 /nfs/dbraw/zinc/94/55/64/1120945564.db2.gz NTEYJQSXQOUCFZ-LPHOPBHVSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CCC1 ZINC000398800671 1120945568 /nfs/dbraw/zinc/94/55/68/1120945568.db2.gz NTEYJQSXQOUCFZ-LPHOPBHVSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169509 1120958623 /nfs/dbraw/zinc/95/86/23/1120958623.db2.gz MMPWWIIAEYFMSK-HZPDHXFCSA-N 2 1 282.431 3.962 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccsc1 ZINC000663467518 1120981956 /nfs/dbraw/zinc/98/19/56/1120981956.db2.gz GMECWRYQVVVXIJ-ZFWWWQNUSA-N 2 1 278.465 3.521 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CCCCC1 ZINC000663466953 1120982443 /nfs/dbraw/zinc/98/24/43/1120982443.db2.gz BWKCXDSWMIXZNA-WBVHZDCISA-N 2 1 278.484 3.667 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663468833 1120984115 /nfs/dbraw/zinc/98/41/15/1120984115.db2.gz MXIBFIPHVBELNQ-ZBFHGGJFSA-N 2 1 292.492 3.829 20 0 CHADMP Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469566 1120984542 /nfs/dbraw/zinc/98/45/42/1120984542.db2.gz QLVIRIFOSWXJBQ-WMZOPIPTSA-N 2 1 286.463 3.768 20 0 CHADMP CCCC[NH+]1CCC([NH2+]Cc2csc(C)c2C)CC1 ZINC001648933552 1121005200 /nfs/dbraw/zinc/00/52/00/1121005200.db2.gz ZPMRALOYHQRSMK-UHFFFAOYSA-N 2 1 280.481 3.719 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H]1c1nccs1 ZINC001167836460 1121038657 /nfs/dbraw/zinc/03/86/57/1121038657.db2.gz DTEDEJYDGJMQRG-HUUCEWRRSA-N 2 1 295.496 3.791 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001167839491 1121042339 /nfs/dbraw/zinc/04/23/39/1121042339.db2.gz YHLKKNYEUBTEKV-ULQDDVLXSA-N 2 1 266.473 3.761 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC001167839472 1121043082 /nfs/dbraw/zinc/04/30/82/1121043082.db2.gz XUDBAPUUDRMBHV-CQSZACIVSA-N 2 1 297.874 3.677 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H]1C(C)C ZINC001167839734 1121044499 /nfs/dbraw/zinc/04/44/99/1121044499.db2.gz BMRRCLITXVKIMD-CVEARBPZSA-N 2 1 254.462 3.617 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1Cc2cccc(OC)c2C1 ZINC001167841089 1121054556 /nfs/dbraw/zinc/05/45/56/1121054556.db2.gz KDOSEDTZFYDAJU-HNNXBMFYSA-N 2 1 290.451 3.521 20 0 CHADMP C[NH+]1CC2(C1)CC[NH+](Cc1c(Cl)cccc1Cl)CC2 ZINC001203422911 1121169477 /nfs/dbraw/zinc/16/94/77/1121169477.db2.gz JZHAIPKUSOIOSY-UHFFFAOYSA-N 2 1 299.245 3.521 20 0 CHADMP Cc1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c(C)c1 ZINC001175121216 1121190295 /nfs/dbraw/zinc/19/02/95/1121190295.db2.gz RDBFFWMUKUDLTP-UHFFFAOYSA-N 2 1 286.463 3.754 20 0 CHADMP C[C@H](C[NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000021812528 1121217265 /nfs/dbraw/zinc/21/72/65/1121217265.db2.gz UOYWQACWGYAADK-IAGOWNOFSA-N 2 1 274.452 3.644 20 0 CHADMP CC[C@H](C)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512244242 1121222686 /nfs/dbraw/zinc/22/26/86/1121222686.db2.gz NEKOYJBOMGTRQJ-HKUYNNGSSA-N 2 1 286.463 3.631 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000093770123 1128973251 /nfs/dbraw/zinc/97/32/51/1128973251.db2.gz BEHSJALMSNYPFM-AWEZNQCLSA-N 2 1 288.460 3.675 20 0 CHADMP CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(-c3ccccc3)o2)C1 ZINC000093769928 1128973766 /nfs/dbraw/zinc/97/37/66/1128973766.db2.gz JPAYUHKWISCVLY-MRXNPFEDSA-N 2 1 298.430 3.720 20 0 CHADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000093769928 1128973769 /nfs/dbraw/zinc/97/37/69/1128973769.db2.gz JPAYUHKWISCVLY-MRXNPFEDSA-N 2 1 298.430 3.720 20 0 CHADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000093769928 1128973772 /nfs/dbraw/zinc/97/37/72/1128973772.db2.gz JPAYUHKWISCVLY-MRXNPFEDSA-N 2 1 298.430 3.720 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000093769928 1128973774 /nfs/dbraw/zinc/97/37/74/1128973774.db2.gz JPAYUHKWISCVLY-MRXNPFEDSA-N 2 1 298.430 3.720 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000093769928 1128973777 /nfs/dbraw/zinc/97/37/77/1128973777.db2.gz JPAYUHKWISCVLY-MRXNPFEDSA-N 2 1 298.430 3.720 20 0 CHADMP COc1cc[nH+]c(Nc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC001175361708 1121297770 /nfs/dbraw/zinc/29/77/70/1121297770.db2.gz VCJIUMKWZPAOKT-UHFFFAOYSA-N 2 1 297.402 3.820 20 0 CHADMP CC[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658320530 1121298583 /nfs/dbraw/zinc/29/85/83/1121298583.db2.gz ZGDUFKTUGPVJBG-AEFFLSMTSA-N 2 1 286.463 3.677 20 0 CHADMP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000675752492 1121351531 /nfs/dbraw/zinc/35/15/31/1121351531.db2.gz WFYGTZNHDWZQSY-ULQDDVLXSA-N 2 1 272.436 3.581 20 0 CHADMP Cc1cc2[nH]c(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)cc2c(C)c1 ZINC000432799978 1121361465 /nfs/dbraw/zinc/36/14/65/1121361465.db2.gz JHYITQQZANJFAP-QGZVFWFLSA-N 2 1 299.462 3.701 20 0 CHADMP Cc1cc2[nH]c(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)cc2c(C)c1 ZINC000432799978 1121361473 /nfs/dbraw/zinc/36/14/73/1121361473.db2.gz JHYITQQZANJFAP-QGZVFWFLSA-N 2 1 299.462 3.701 20 0 CHADMP CC(C)[NH+](CCC[NH2+]Cc1ccc(C(F)F)nc1)C(C)C ZINC000631081750 1128983819 /nfs/dbraw/zinc/98/38/19/1128983819.db2.gz AOKIVYUXFBAMAR-UHFFFAOYSA-N 2 1 299.409 3.618 20 0 CHADMP Cc1ncc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)s1 ZINC000245586014 1121417280 /nfs/dbraw/zinc/41/72/80/1121417280.db2.gz MGMOROROPOHCLR-ZIAGYGMSSA-N 2 1 295.496 3.614 20 0 CHADMP c1ccc2c(c1)cccc2C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000314763617 1121445167 /nfs/dbraw/zinc/44/51/67/1121445167.db2.gz RDKABHUUHFICEH-AZUAARDMSA-N 2 1 294.442 3.804 20 0 CHADMP C[C@H](c1nc2ccccc2s1)[N@@H+](C)CCCCCC[NH3+] ZINC000710684293 1121475014 /nfs/dbraw/zinc/47/50/14/1121475014.db2.gz ZUYPQHIGPYIGNJ-CYBMUJFWSA-N 2 1 291.464 3.808 20 0 CHADMP CC[C@H]1C[N@H+](C2c3ccccc3-c3ccccc32)CC[C@H]1[NH3+] ZINC000316933536 1121479874 /nfs/dbraw/zinc/47/98/74/1121479874.db2.gz YQYHNHXEAHWPBL-IFXJQAMLSA-N 2 1 292.426 3.816 20 0 CHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC4CCC4)[C@H]3C2)cc1 ZINC000512614295 1121494294 /nfs/dbraw/zinc/49/42/94/1121494294.db2.gz VMQBSPJGUOGBMA-SLFFLAALSA-N 2 1 298.474 3.677 20 0 CHADMP CCS[C@H]1CC[C@@H]([N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923315184 1121557800 /nfs/dbraw/zinc/55/78/00/1121557800.db2.gz QZYIQFDIMZUDCM-VEDBGLOESA-N 2 1 296.524 3.513 20 0 CHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167917115 1121561411 /nfs/dbraw/zinc/56/14/11/1121561411.db2.gz KIXOTSIURFJTHS-YDZRNGNQSA-N 2 1 298.474 3.675 20 0 CHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167917115 1121561417 /nfs/dbraw/zinc/56/14/17/1121561417.db2.gz KIXOTSIURFJTHS-YDZRNGNQSA-N 2 1 298.474 3.675 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000161625573 1121646336 /nfs/dbraw/zinc/64/63/36/1121646336.db2.gz OBXKYQASPOYBDR-KURKYZTESA-N 2 1 278.484 3.952 20 0 CHADMP CCC[NH+]1CCC([NH2+]Cc2ccc(Cl)c(C)c2)CC1 ZINC000161691571 1121651012 /nfs/dbraw/zinc/65/10/12/1121651012.db2.gz OPSHXCPVELILAY-UHFFFAOYSA-N 2 1 280.843 3.612 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(C2CC2)cc1 ZINC000419347664 1121674084 /nfs/dbraw/zinc/67/40/84/1121674084.db2.gz XAYJGVCKIOCMJP-RDTXWAMCSA-N 2 1 272.436 3.699 20 0 CHADMP C1CCC2(C1)CCC([N@H+]1CC[C@]3(C1)CCC[NH2+]C3)CC2 ZINC000709972775 1121692742 /nfs/dbraw/zinc/69/27/42/1121692742.db2.gz XTJVRUIUNJFPIN-GOSISDBHSA-N 2 1 276.468 3.565 20 0 CHADMP CC[C@H](c1ccccc1)[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001177008933 1121705730 /nfs/dbraw/zinc/70/57/30/1121705730.db2.gz RVEUDESWOVLHAB-AQNXPRMDSA-N 2 1 298.474 3.946 20 0 CHADMP CC[C@H](c1ccccc1)[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001177008933 1121705733 /nfs/dbraw/zinc/70/57/33/1121705733.db2.gz RVEUDESWOVLHAB-AQNXPRMDSA-N 2 1 298.474 3.946 20 0 CHADMP CC[C@H](c1ccccc1)[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001177008933 1121705735 /nfs/dbraw/zinc/70/57/35/1121705735.db2.gz RVEUDESWOVLHAB-AQNXPRMDSA-N 2 1 298.474 3.946 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC001177277669 1121722447 /nfs/dbraw/zinc/72/24/47/1121722447.db2.gz MZVXWEYEKOBEAQ-BSDSXHPESA-N 2 1 278.484 3.831 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC001177277669 1121722454 /nfs/dbraw/zinc/72/24/54/1121722454.db2.gz MZVXWEYEKOBEAQ-BSDSXHPESA-N 2 1 278.484 3.831 20 0 CHADMP CC[C@H](C)[N@H+](C)CC[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC001177611730 1121742758 /nfs/dbraw/zinc/74/27/58/1121742758.db2.gz HENFSJXWQSOEHN-GJZGRUSLSA-N 2 1 254.462 3.523 20 0 CHADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC001177611730 1121742763 /nfs/dbraw/zinc/74/27/63/1121742763.db2.gz HENFSJXWQSOEHN-GJZGRUSLSA-N 2 1 254.462 3.523 20 0 CHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]2C)C1 ZINC001177835776 1121752925 /nfs/dbraw/zinc/75/29/25/1121752925.db2.gz WSIHXRROELKICH-BZUAXINKSA-N 2 1 266.473 3.665 20 0 CHADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]2C)C1 ZINC001177835776 1121752930 /nfs/dbraw/zinc/75/29/30/1121752930.db2.gz WSIHXRROELKICH-BZUAXINKSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cccc2ccccc21 ZINC001177912985 1121756928 /nfs/dbraw/zinc/75/69/28/1121756928.db2.gz SOINUTFFMPGPHK-UHFFFAOYSA-N 2 1 293.414 3.915 20 0 CHADMP CCCc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1 ZINC001206311252 1121757145 /nfs/dbraw/zinc/75/71/45/1121757145.db2.gz LHWDDZLMGIDMDU-GOSISDBHSA-N 2 1 274.452 3.590 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1 ZINC001206317054 1121765439 /nfs/dbraw/zinc/76/54/39/1121765439.db2.gz BUOUHWZLLIMKCR-IBGZPJMESA-N 2 1 288.479 3.980 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1 ZINC001206317055 1121765955 /nfs/dbraw/zinc/76/59/55/1121765955.db2.gz BUOUHWZLLIMKCR-LJQANCHMSA-N 2 1 288.479 3.980 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206324800 1121776118 /nfs/dbraw/zinc/77/61/18/1121776118.db2.gz DJYWJMZBKHEEHJ-QGZVFWFLSA-N 2 1 294.870 3.908 20 0 CHADMP CCC[C@H]([NH2+]C[C@H]1CC[N@H+](CCC)C1)c1cc(C)ccn1 ZINC000631573645 1129008666 /nfs/dbraw/zinc/00/86/66/1129008666.db2.gz ZYZDHXJWGCEKLM-SJORKVTESA-N 2 1 289.467 3.553 20 0 CHADMP CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](CCC)C1)c1cc(C)ccn1 ZINC000631573645 1129008671 /nfs/dbraw/zinc/00/86/71/1129008671.db2.gz ZYZDHXJWGCEKLM-SJORKVTESA-N 2 1 289.467 3.553 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C[C@H]1CCC[C@H](CC)C1 ZINC001178836156 1121822097 /nfs/dbraw/zinc/82/20/97/1121822097.db2.gz UOMVLYVUDMVJNB-IKGGRYGDSA-N 2 1 268.489 3.913 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C[C@H]1CCC[C@H](CC)C1 ZINC001178836156 1121822105 /nfs/dbraw/zinc/82/21/05/1121822105.db2.gz UOMVLYVUDMVJNB-IKGGRYGDSA-N 2 1 268.489 3.913 20 0 CHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000414184863 1121833235 /nfs/dbraw/zinc/83/32/35/1121833235.db2.gz OOKAAPRQWTZBLG-GUYCJALGSA-N 2 1 292.854 3.649 20 0 CHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCSc3ccccc32)C1 ZINC000414170846 1121833553 /nfs/dbraw/zinc/83/35/53/1121833553.db2.gz CKDRDQNUXGXLAN-HOCLYGCPSA-N 2 1 290.476 3.545 20 0 CHADMP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)C1 ZINC001179816788 1121912891 /nfs/dbraw/zinc/91/28/91/1121912891.db2.gz NTFCEMJDPIULLY-KFGODFMUSA-N 2 1 278.484 3.521 20 0 CHADMP c1ccc(-c2ccc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)cc2)cc1 ZINC000262507005 1129018389 /nfs/dbraw/zinc/01/83/89/1129018389.db2.gz MPTJBTVBHLPWRM-FQEVSTJZSA-N 2 1 292.426 3.539 20 0 CHADMP c1ccc(-c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2)cc1 ZINC000262563024 1129019464 /nfs/dbraw/zinc/01/94/64/1129019464.db2.gz VXUCTIGHABBBJN-UXHICEINSA-N 2 1 292.426 3.537 20 0 CHADMP Cc1cccc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)c1 ZINC000420295424 1121995516 /nfs/dbraw/zinc/99/55/16/1121995516.db2.gz AHPFGUKHZFGRAE-FUHWJXTLSA-N 2 1 272.436 3.522 20 0 CHADMP Clc1ccc([C@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000420298110 1121996849 /nfs/dbraw/zinc/99/68/49/1121996849.db2.gz GSZMGYKHMFDWPV-HOCLYGCPSA-N 2 1 292.854 3.519 20 0 CHADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)[C@H](C)c1cc2ccccc2o1 ZINC000420323991 1121999331 /nfs/dbraw/zinc/99/93/31/1121999331.db2.gz UWFVYBZRQJKSCL-HUUCEWRRSA-N 2 1 286.419 3.815 20 0 CHADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2Oc2ccccc2)C1 ZINC000420312226 1121999408 /nfs/dbraw/zinc/99/94/08/1121999408.db2.gz RYMFELNDBVCTOU-JKSUJKDBSA-N 2 1 296.414 3.648 20 0 CHADMP c1ccc2c(c1)CC[C@H]2[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000420317763 1121999442 /nfs/dbraw/zinc/99/94/42/1121999442.db2.gz NWLNZBHGFYYRNS-HNAYVOBHSA-N 2 1 284.447 3.528 20 0 CHADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc2ccccc2c1 ZINC000420318273 1121999737 /nfs/dbraw/zinc/99/97/37/1121999737.db2.gz OGXWUWQGLKNXLF-INIZCTEOSA-N 2 1 282.431 3.661 20 0 CHADMP c1ccc([C@H]2CCCCC[N@@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420315443 1121999866 /nfs/dbraw/zinc/99/98/66/1121999866.db2.gz LUMIUPWSDSGZPB-SJLPKXTDSA-N 2 1 272.436 3.603 20 0 CHADMP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420378753 1122004170 /nfs/dbraw/zinc/00/41/70/1122004170.db2.gz UOORDZPBVOLOSM-KBPBESRZSA-N 2 1 295.496 3.567 20 0 CHADMP CCC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc(C)ccn1 ZINC000631634742 1122021474 /nfs/dbraw/zinc/02/14/74/1122021474.db2.gz DDJJBWOTAKOAGD-KRWDZBQOSA-N 2 1 289.467 3.695 20 0 CHADMP CCC[NH+]1CCC(Nc2cc(C)c3ccc(C)cc3[nH+]2)CC1 ZINC000501934000 1122026487 /nfs/dbraw/zinc/02/64/87/1122026487.db2.gz GVKVTWVUEDXCNH-UHFFFAOYSA-N 2 1 297.446 3.560 20 0 CHADMP C[C@@H](CC1CCC1)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001181275855 1122046510 /nfs/dbraw/zinc/04/65/10/1122046510.db2.gz GOAROGKYOLAULD-MAUKXSAKSA-N 2 1 278.484 3.952 20 0 CHADMP FC(F)(F)C[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000420944993 1122046927 /nfs/dbraw/zinc/04/69/27/1122046927.db2.gz JXVSOMWNMXYCDD-AWEZNQCLSA-N 2 1 292.389 3.527 20 0 CHADMP FC(F)(F)C[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000420944993 1122046932 /nfs/dbraw/zinc/04/69/32/1122046932.db2.gz JXVSOMWNMXYCDD-AWEZNQCLSA-N 2 1 292.389 3.527 20 0 CHADMP CCCOc1ccc(C[N@H+](CC)CCC[NH+](C)C)c(C)c1 ZINC001181506637 1122059944 /nfs/dbraw/zinc/05/99/44/1122059944.db2.gz UQTYGFAFRFQYAQ-UHFFFAOYSA-N 2 1 292.467 3.557 20 0 CHADMP CCCOc1ccc(C[N@@H+](CC)CCC[NH+](C)C)c(C)c1 ZINC001181506637 1122059949 /nfs/dbraw/zinc/05/99/49/1122059949.db2.gz UQTYGFAFRFQYAQ-UHFFFAOYSA-N 2 1 292.467 3.557 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)oc1C ZINC000502454013 1122087484 /nfs/dbraw/zinc/08/74/84/1122087484.db2.gz RAGHRVZUTKBASK-CQSZACIVSA-N 2 1 278.440 3.669 20 0 CHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc(C3CC3)c2)C1 ZINC000421318673 1122096775 /nfs/dbraw/zinc/09/67/75/1122096775.db2.gz HCANCXMZEYMOCW-SFHVURJKSA-N 2 1 298.474 3.728 20 0 CHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cccc(C3CC3)c2)C1 ZINC000421318673 1122096783 /nfs/dbraw/zinc/09/67/83/1122096783.db2.gz HCANCXMZEYMOCW-SFHVURJKSA-N 2 1 298.474 3.728 20 0 CHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000421318673 1122096787 /nfs/dbraw/zinc/09/67/87/1122096787.db2.gz HCANCXMZEYMOCW-SFHVURJKSA-N 2 1 298.474 3.728 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(C2CC2)c1 ZINC000421350311 1122097889 /nfs/dbraw/zinc/09/78/89/1122097889.db2.gz ALFPRZCTAZESDT-UHFFFAOYSA-N 2 1 283.419 3.591 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(C2CC2)c1 ZINC000421350311 1122097896 /nfs/dbraw/zinc/09/78/96/1122097896.db2.gz ALFPRZCTAZESDT-UHFFFAOYSA-N 2 1 283.419 3.591 20 0 CHADMP CC(C)c1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001206542281 1122191354 /nfs/dbraw/zinc/19/13/54/1122191354.db2.gz WZKMPJXFBWLTLV-SFHVURJKSA-N 2 1 274.452 3.761 20 0 CHADMP CCCc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001206555996 1122202931 /nfs/dbraw/zinc/20/29/31/1122202931.db2.gz MAIUJEFFXMSTNH-GOSISDBHSA-N 2 1 274.452 3.590 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205288153 1122251545 /nfs/dbraw/zinc/25/15/45/1122251545.db2.gz HAIQOMTVXVFLGG-MRXNPFEDSA-N 2 1 280.843 3.660 20 0 CHADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)c2ccccc21 ZINC000423047934 1122276527 /nfs/dbraw/zinc/27/65/27/1122276527.db2.gz HTUZAOQNOZKZJS-HZPDHXFCSA-N 2 1 288.341 3.859 20 0 CHADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(-c2ccccc2)cc1 ZINC000423320765 1122285066 /nfs/dbraw/zinc/28/50/66/1122285066.db2.gz MPTVAJWURFOCEH-IFXJQAMLSA-N 2 1 280.415 3.742 20 0 CHADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001167953124 1122302076 /nfs/dbraw/zinc/30/20/76/1122302076.db2.gz RNVKUCWSTAJGPG-PMOLBWCYSA-N 2 1 298.474 3.629 20 0 CHADMP CCCC[C@H](CCC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192942951 1129047989 /nfs/dbraw/zinc/04/79/89/1129047989.db2.gz LRBIMSPPQDVRTC-XYTVBORESA-N 2 1 266.473 3.808 20 0 CHADMP CC/C=C\CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434670656 1122393241 /nfs/dbraw/zinc/39/32/41/1122393241.db2.gz QSBBQFNJAIFHIK-ARJAWSKDSA-N 2 1 287.451 3.755 20 0 CHADMP CCC[C@H](C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000430118190 1122408002 /nfs/dbraw/zinc/40/80/02/1122408002.db2.gz GGAOMSQERCTBPJ-RTBURBONSA-N 2 1 286.463 3.598 20 0 CHADMP CCC[C@H](C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000430118190 1122408004 /nfs/dbraw/zinc/40/80/04/1122408004.db2.gz GGAOMSQERCTBPJ-RTBURBONSA-N 2 1 286.463 3.598 20 0 CHADMP CC[N@@H+](Cc1cc(C)c2ncccc2c1)[C@@H]1CCC[NH2+]CC1 ZINC000435390111 1122462561 /nfs/dbraw/zinc/46/25/61/1122462561.db2.gz ABTRDOLNQQZGQI-GOSISDBHSA-N 2 1 297.446 3.507 20 0 CHADMP CC(C)c1cccc(C[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC001237463847 1129056524 /nfs/dbraw/zinc/05/65/24/1129056524.db2.gz YMTUNMFHBSZRIG-UHFFFAOYSA-N 2 1 274.452 3.728 20 0 CHADMP CC(C)c1cccc(C[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC001237463847 1129056527 /nfs/dbraw/zinc/05/65/27/1129056527.db2.gz YMTUNMFHBSZRIG-UHFFFAOYSA-N 2 1 274.452 3.728 20 0 CHADMP CC[N@H+](CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1)C(C)C ZINC000436229561 1122525295 /nfs/dbraw/zinc/52/52/95/1122525295.db2.gz FNSGWGHVHPPWOG-MSOLQXFVSA-N 2 1 274.452 3.643 20 0 CHADMP CC[N@@H+](CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1)C(C)C ZINC000436229561 1122525297 /nfs/dbraw/zinc/52/52/97/1122525297.db2.gz FNSGWGHVHPPWOG-MSOLQXFVSA-N 2 1 274.452 3.643 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000436283811 1122531126 /nfs/dbraw/zinc/53/11/26/1122531126.db2.gz WBJYPOQKLCHGHW-BPQIPLTHSA-N 2 1 274.452 3.643 20 0 CHADMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](C)CC(C)(C)C)CC1 ZINC001190731374 1122553465 /nfs/dbraw/zinc/55/34/65/1122553465.db2.gz NHDGKJARZANANH-OAHLLOKOSA-N 2 1 268.489 3.863 20 0 CHADMP Cc1ccc(C(C)(C)C[N@@H+](C)CCCc2c[nH+]cn2C)cc1 ZINC000516083538 1122566626 /nfs/dbraw/zinc/56/66/26/1122566626.db2.gz XELFCBDIYTYCIN-UHFFFAOYSA-N 2 1 299.462 3.571 20 0 CHADMP Cc1ccc(C(C)(C)C[N@H+](C)CCCc2c[nH+]cn2C)cc1 ZINC000516083538 1122566629 /nfs/dbraw/zinc/56/66/29/1122566629.db2.gz XELFCBDIYTYCIN-UHFFFAOYSA-N 2 1 299.462 3.571 20 0 CHADMP C(=C\C1CC1)\C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716693189 1122636525 /nfs/dbraw/zinc/63/65/25/1122636525.db2.gz OPHFIYMBASPBLC-DBYYDSSQSA-N 2 1 296.458 3.595 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205591572 1122639528 /nfs/dbraw/zinc/63/95/28/1122639528.db2.gz NPVJRJKYQWYSEF-INIZCTEOSA-N 2 1 298.833 3.610 20 0 CHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCCC2CCC2)cc1 ZINC001192918701 1122662692 /nfs/dbraw/zinc/66/26/92/1122662692.db2.gz OPGUSARKWIRQTK-UHFFFAOYSA-N 2 1 274.452 3.760 20 0 CHADMP CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1cccc(Cl)c1F ZINC000425931456 1122664267 /nfs/dbraw/zinc/66/42/67/1122664267.db2.gz LVYUIKDTZOMDHU-RISCZKNCSA-N 2 1 286.822 3.718 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](CC)[C@H]1CCCC[C@H]1C ZINC001193412569 1122690514 /nfs/dbraw/zinc/69/05/14/1122690514.db2.gz FOUQSSRCAPHSRU-CVEARBPZSA-N 2 1 254.462 3.619 20 0 CHADMP C[C@@H](C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccc(F)cc1 ZINC000438132669 1122681488 /nfs/dbraw/zinc/68/14/88/1122681488.db2.gz ZNWKRCFKEQRDOQ-YJBOKZPZSA-N 2 1 292.442 3.735 20 0 CHADMP C[C@@H](C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)c1ccc(F)cc1 ZINC000438132669 1122681492 /nfs/dbraw/zinc/68/14/92/1122681492.db2.gz ZNWKRCFKEQRDOQ-YJBOKZPZSA-N 2 1 292.442 3.735 20 0 CHADMP C[C@@H](C[NH+](C)CC[C@@H]1CCCC[N@H+]1C)c1ccc(F)cc1 ZINC000438132669 1122681496 /nfs/dbraw/zinc/68/14/96/1122681496.db2.gz ZNWKRCFKEQRDOQ-YJBOKZPZSA-N 2 1 292.442 3.735 20 0 CHADMP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000426315095 1122762675 /nfs/dbraw/zinc/76/26/75/1122762675.db2.gz ZYSAXDLKZMXQFS-FUHWJXTLSA-N 2 1 288.479 3.511 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)Cc2c(C)cc(Cl)cc2C)CC1 ZINC000506691653 1122807080 /nfs/dbraw/zinc/80/70/80/1122807080.db2.gz XUBTYIMQDOVUBF-UHFFFAOYSA-N 2 1 294.870 3.873 20 0 CHADMP CC(C)CSCCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000154062533 1129082252 /nfs/dbraw/zinc/08/22/52/1129082252.db2.gz LAGOAJKSHJYLDI-KRWDZBQOSA-N 2 1 298.540 3.716 20 0 CHADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1C[C@H]3CCCC[C@@H]3C1)C2 ZINC001167982828 1122903142 /nfs/dbraw/zinc/90/31/42/1122903142.db2.gz BNZZYJZUVOUFKD-ZWRCUJBNSA-N 2 1 288.479 3.514 20 0 CHADMP CC(C)C[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000427120194 1122944736 /nfs/dbraw/zinc/94/47/36/1122944736.db2.gz AHMZKWRLXVPXNB-OTWHNJEPSA-N 2 1 286.463 3.500 20 0 CHADMP C[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@@H]1C ZINC001167985084 1122944918 /nfs/dbraw/zinc/94/49/18/1122944918.db2.gz VCVXMXPPJZBPML-XARAWCMASA-N 2 1 290.495 3.760 20 0 CHADMP C[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C[C@@H]1C ZINC001167985084 1122944921 /nfs/dbraw/zinc/94/49/21/1122944921.db2.gz VCVXMXPPJZBPML-XARAWCMASA-N 2 1 290.495 3.760 20 0 CHADMP C[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@@H]1C ZINC001167985084 1122944923 /nfs/dbraw/zinc/94/49/23/1122944923.db2.gz VCVXMXPPJZBPML-XARAWCMASA-N 2 1 290.495 3.760 20 0 CHADMP Cc1cc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)cs1 ZINC001197194897 1122947664 /nfs/dbraw/zinc/94/76/64/1122947664.db2.gz XFMFBIOTJIQOTB-UHFFFAOYSA-N 2 1 294.508 3.856 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000507521747 1122963186 /nfs/dbraw/zinc/96/31/86/1122963186.db2.gz AKYFLHHPMCHXFE-LUKYLMHMSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000507521748 1122963459 /nfs/dbraw/zinc/96/34/59/1122963459.db2.gz AKYFLHHPMCHXFE-MWDXBVQZSA-N 2 1 266.473 3.664 20 0 CHADMP CCC[C@@H](C)CCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001197931069 1122973893 /nfs/dbraw/zinc/97/38/93/1122973893.db2.gz UXFZCQTVRBSLEJ-SJORKVTESA-N 2 1 289.467 3.809 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(CC(C)C)cc1 ZINC000343155803 1122989998 /nfs/dbraw/zinc/98/99/98/1122989998.db2.gz WCKOWSJBGYBZPY-INIZCTEOSA-N 2 1 299.462 3.816 20 0 CHADMP Cc1cccc([C@H](C)[N@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)c1 ZINC001198820940 1123012882 /nfs/dbraw/zinc/01/28/82/1123012882.db2.gz OCXJSZCYBKUZTF-YSIASYRMSA-N 2 1 298.474 3.864 20 0 CHADMP Cc1cccc([C@H](C)[NH+]2C[C@@]34C[N@H+](C)C[C@]3(C2)CCCC4)c1 ZINC001198820940 1123012886 /nfs/dbraw/zinc/01/28/86/1123012886.db2.gz OCXJSZCYBKUZTF-YSIASYRMSA-N 2 1 298.474 3.864 20 0 CHADMP Cc1cccc([C@H](C)[NH+]2C[C@@]34C[N@@H+](C)C[C@]3(C2)CCCC4)c1 ZINC001198820940 1123012890 /nfs/dbraw/zinc/01/28/90/1123012890.db2.gz OCXJSZCYBKUZTF-YSIASYRMSA-N 2 1 298.474 3.864 20 0 CHADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC001199248681 1123024125 /nfs/dbraw/zinc/02/41/25/1123024125.db2.gz WMSKYMZZBOFDRM-IAGOWNOFSA-N 2 1 298.515 3.539 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000268784157 1129100539 /nfs/dbraw/zinc/10/05/39/1129100539.db2.gz DJJAYHNJOJHGPI-NSHDSACASA-N 2 1 297.324 3.561 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441342234 1123080028 /nfs/dbraw/zinc/08/00/28/1123080028.db2.gz YDGIDQNXYXRKFQ-ZWKOTPCHSA-N 2 1 274.452 3.944 20 0 CHADMP CC[C@H](c1ccccc1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441342234 1123080032 /nfs/dbraw/zinc/08/00/32/1123080032.db2.gz YDGIDQNXYXRKFQ-ZWKOTPCHSA-N 2 1 274.452 3.944 20 0 CHADMP CC[C@H](c1ccccc1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441342234 1123080038 /nfs/dbraw/zinc/08/00/38/1123080038.db2.gz YDGIDQNXYXRKFQ-ZWKOTPCHSA-N 2 1 274.452 3.944 20 0 CHADMP CCC(C)(C)CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441367224 1123082695 /nfs/dbraw/zinc/08/26/95/1123082695.db2.gz QEFLVKIFEMYYKI-OAHLLOKOSA-N 2 1 254.462 3.619 20 0 CHADMP CCC(C)(C)CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441367224 1123082698 /nfs/dbraw/zinc/08/26/98/1123082698.db2.gz QEFLVKIFEMYYKI-OAHLLOKOSA-N 2 1 254.462 3.619 20 0 CHADMP CCC(C)(C)CC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441367224 1123082700 /nfs/dbraw/zinc/08/27/00/1123082700.db2.gz QEFLVKIFEMYYKI-OAHLLOKOSA-N 2 1 254.462 3.619 20 0 CHADMP C(C[NH+]1CCCC1)[C@@H]1CCCC[N@H+]1CC1CCCCC1 ZINC001201397533 1123091231 /nfs/dbraw/zinc/09/12/31/1123091231.db2.gz JGYLINNXFYWNTI-SFHVURJKSA-N 2 1 278.484 3.907 20 0 CHADMP CCCC[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000050887696 1123098367 /nfs/dbraw/zinc/09/83/67/1123098367.db2.gz FZEXIEWTZRUCOH-KRWDZBQOSA-N 2 1 288.479 3.862 20 0 CHADMP CC(C)[NH2+][C@@H]1CCC[N@H+](CC[C@@H]2CCC[C@@H](C)C2)C1 ZINC000227085712 1123107163 /nfs/dbraw/zinc/10/71/63/1123107163.db2.gz KYZNDZVJUIFUGR-IXDOHACOSA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)[NH2+][C@@H]1CCC[N@@H+](CC[C@@H]2CCC[C@@H](C)C2)C1 ZINC000227085712 1123107165 /nfs/dbraw/zinc/10/71/65/1123107165.db2.gz KYZNDZVJUIFUGR-IXDOHACOSA-N 2 1 266.473 3.665 20 0 CHADMP CC[C@H](C)C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001201520607 1123121628 /nfs/dbraw/zinc/12/16/28/1123121628.db2.gz GHCCMOITKGCIOO-HNNXBMFYSA-N 2 1 292.442 3.768 20 0 CHADMP CC[C@H](C)C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001201520607 1123121629 /nfs/dbraw/zinc/12/16/29/1123121629.db2.gz GHCCMOITKGCIOO-HNNXBMFYSA-N 2 1 292.442 3.768 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC001201557503 1123123065 /nfs/dbraw/zinc/12/30/65/1123123065.db2.gz KHNBAQJSPPJCMV-IAGOWNOFSA-N 2 1 280.500 3.913 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1CCc1ccccc1 ZINC001201606115 1123130783 /nfs/dbraw/zinc/13/07/83/1123130783.db2.gz JRKHLSUWQWVKPR-OALUTQOASA-N 2 1 286.463 3.568 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)CCCc2ccccc2)CC1 ZINC001201671085 1123133545 /nfs/dbraw/zinc/13/35/45/1123133545.db2.gz AESCEEAEITVAHD-UHFFFAOYSA-N 2 1 288.479 3.816 20 0 CHADMP CCCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001201723000 1123141077 /nfs/dbraw/zinc/14/10/77/1123141077.db2.gz NUHHPWHTCPSCAG-RBUKOAKNSA-N 2 1 286.463 3.631 20 0 CHADMP CCCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001201723000 1123141078 /nfs/dbraw/zinc/14/10/78/1123141078.db2.gz NUHHPWHTCPSCAG-RBUKOAKNSA-N 2 1 286.463 3.631 20 0 CHADMP CCCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001201723000 1123141079 /nfs/dbraw/zinc/14/10/79/1123141079.db2.gz NUHHPWHTCPSCAG-RBUKOAKNSA-N 2 1 286.463 3.631 20 0 CHADMP CCCCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001201735168 1123149183 /nfs/dbraw/zinc/14/91/83/1123149183.db2.gz KOXKAAVZUDQGHU-LJQANCHMSA-N 2 1 286.463 3.775 20 0 CHADMP CCCCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001201735168 1123149185 /nfs/dbraw/zinc/14/91/85/1123149185.db2.gz KOXKAAVZUDQGHU-LJQANCHMSA-N 2 1 286.463 3.775 20 0 CHADMP CCCCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001201735168 1123149187 /nfs/dbraw/zinc/14/91/87/1123149187.db2.gz KOXKAAVZUDQGHU-LJQANCHMSA-N 2 1 286.463 3.775 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001201970926 1123164909 /nfs/dbraw/zinc/16/49/09/1123164909.db2.gz BEBIFVVTIPJKFY-KURKYZTESA-N 2 1 278.484 3.643 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001201970926 1123164914 /nfs/dbraw/zinc/16/49/14/1123164914.db2.gz BEBIFVVTIPJKFY-KURKYZTESA-N 2 1 278.484 3.643 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001201970926 1123164917 /nfs/dbraw/zinc/16/49/17/1123164917.db2.gz BEBIFVVTIPJKFY-KURKYZTESA-N 2 1 278.484 3.643 20 0 CHADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000430699618 1123165354 /nfs/dbraw/zinc/16/53/54/1123165354.db2.gz QAJWBQZOVRUZLQ-DIECFANBSA-N 2 1 277.456 3.632 20 0 CHADMP c1ccc(C[NH+]2C[C@H]3CC[N@H+](CC4CCCC4)C[C@H]3C2)cc1 ZINC001202189936 1123184640 /nfs/dbraw/zinc/18/46/40/1123184640.db2.gz GUXXHEHVYFQDPF-UXHICEINSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[N@H+]2C[C@H]3CC[NH+](CC4CCCC4)C[C@H]3C2)cc1 ZINC001202189936 1123184641 /nfs/dbraw/zinc/18/46/41/1123184641.db2.gz GUXXHEHVYFQDPF-UXHICEINSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[N@@H+]2C[C@H]3CC[NH+](CC4CCCC4)C[C@H]3C2)cc1 ZINC001202189936 1123184642 /nfs/dbraw/zinc/18/46/42/1123184642.db2.gz GUXXHEHVYFQDPF-UXHICEINSA-N 2 1 298.474 3.631 20 0 CHADMP CCCCCC[C@H]1CCC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000776266351 1123194452 /nfs/dbraw/zinc/19/44/52/1123194452.db2.gz UBFFBVSIUZCIIJ-RDJZCZTQSA-N 2 1 277.456 3.691 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000320819484 1123232711 /nfs/dbraw/zinc/23/27/11/1123232711.db2.gz FBJIQBLUONKGJN-YSGRDPCXSA-N 2 1 294.442 3.832 20 0 CHADMP Cc1ccc([C@@H]([NH2+]CC2([NH3+])CCCC2)C2CCCC2)o1 ZINC000665248243 1123257982 /nfs/dbraw/zinc/25/79/82/1123257982.db2.gz SMCXNDFPCBEYKZ-INIZCTEOSA-N 2 1 276.424 3.680 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2C=CCC2)cc1 ZINC000850509927 1123278285 /nfs/dbraw/zinc/27/82/85/1123278285.db2.gz QAMXLSGRJODTER-CZUORRHYSA-N 2 1 267.376 3.550 20 0 CHADMP Cc1cccc2c1CCC[C@@H]2[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000665283513 1123318055 /nfs/dbraw/zinc/31/80/55/1123318055.db2.gz PFERDPUKQLQAMI-ACJLOTCBSA-N 2 1 281.403 3.531 20 0 CHADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000442920878 1123348782 /nfs/dbraw/zinc/34/87/82/1123348782.db2.gz MAHICFZDPMMERN-OAHLLOKOSA-N 2 1 284.403 3.507 20 0 CHADMP C(C1CCCC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000474064325 1123407463 /nfs/dbraw/zinc/40/74/63/1123407463.db2.gz CNVXFEYILPVUDI-DLBZAZTESA-N 2 1 276.468 3.563 20 0 CHADMP C(C1CCCC1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000474064325 1123407465 /nfs/dbraw/zinc/40/74/65/1123407465.db2.gz CNVXFEYILPVUDI-DLBZAZTESA-N 2 1 276.468 3.563 20 0 CHADMP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1F ZINC000895346929 1123463382 /nfs/dbraw/zinc/46/33/82/1123463382.db2.gz OQWYQXVDAAGYQS-KRWWSPQJSA-N 2 1 290.426 3.738 20 0 CHADMP CCC(CC)(CC)C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000395171171 1123465797 /nfs/dbraw/zinc/46/57/97/1123465797.db2.gz CZSDOWFGPNNUEU-OAHLLOKOSA-N 2 1 254.462 3.523 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000157307829 1129126798 /nfs/dbraw/zinc/12/67/98/1129126798.db2.gz DDKLNRFRMRWSHR-ZRGWGRIASA-N 2 1 282.431 3.658 20 0 CHADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC000052334969 1123479883 /nfs/dbraw/zinc/47/98/83/1123479883.db2.gz OKIDSAZOBKXFMV-NPYXIHBLSA-N 2 1 264.457 3.560 20 0 CHADMP C[C@@H]1CCC[C@H](CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000070537518 1123528725 /nfs/dbraw/zinc/52/87/25/1123528725.db2.gz GFQRVPHKZDVFHZ-DRRXZNNHSA-N 2 1 266.473 3.521 20 0 CHADMP Cc1cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(F)cc1F ZINC001206599444 1129127919 /nfs/dbraw/zinc/12/79/19/1129127919.db2.gz SASYQAMOOREUNC-OAHLLOKOSA-N 2 1 296.405 3.626 20 0 CHADMP Cc1cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(F)cc1F ZINC001206599444 1129127920 /nfs/dbraw/zinc/12/79/20/1129127920.db2.gz SASYQAMOOREUNC-OAHLLOKOSA-N 2 1 296.405 3.626 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H](CC(C)C)c2ccccc2)C1 ZINC000474497804 1123541338 /nfs/dbraw/zinc/54/13/38/1123541338.db2.gz ZBSRURNBGHKBOI-IEBWSBKVSA-N 2 1 288.479 3.748 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@@H+]([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000429529712 1123547307 /nfs/dbraw/zinc/54/73/07/1123547307.db2.gz QEPOZRJYEAKREA-RDJZCZTQSA-N 2 1 292.854 3.743 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@H+]([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000429529712 1123547313 /nfs/dbraw/zinc/54/73/13/1123547313.db2.gz QEPOZRJYEAKREA-RDJZCZTQSA-N 2 1 292.854 3.743 20 0 CHADMP CC[N@H+](CC[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1)C(C)C ZINC000474597396 1123554979 /nfs/dbraw/zinc/55/49/79/1123554979.db2.gz ATXRJWQTKNKDLH-HOTGVXAUSA-N 2 1 292.467 3.507 20 0 CHADMP CC[N@@H+](CC[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1)C(C)C ZINC000474597396 1123554982 /nfs/dbraw/zinc/55/49/82/1123554982.db2.gz ATXRJWQTKNKDLH-HOTGVXAUSA-N 2 1 292.467 3.507 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]CCCC(C)(F)F)C[C@@H]1c1ccccc1 ZINC000453234342 1123562323 /nfs/dbraw/zinc/56/23/23/1123562323.db2.gz KOGOMSRZOIULBC-HZPDHXFCSA-N 2 1 296.405 3.847 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CCCC(C)(F)F)C[C@@H]1c1ccccc1 ZINC000453234342 1123562328 /nfs/dbraw/zinc/56/23/28/1123562328.db2.gz KOGOMSRZOIULBC-HZPDHXFCSA-N 2 1 296.405 3.847 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C1CCCC1 ZINC000453399450 1123581457 /nfs/dbraw/zinc/58/14/57/1123581457.db2.gz JZTUBBJEGBENMV-ZYSHUDEJSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C1CCCC1 ZINC000453399450 1123581461 /nfs/dbraw/zinc/58/14/61/1123581461.db2.gz JZTUBBJEGBENMV-ZYSHUDEJSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@H]1CCC[N@@H+]1[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168042588 1123595468 /nfs/dbraw/zinc/59/54/68/1123595468.db2.gz ZTSGWZMMTLMTCA-BMFAXAFESA-N 2 1 286.463 3.912 20 0 CHADMP C[C@H]1CCC[N@H+]1[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168042588 1123595470 /nfs/dbraw/zinc/59/54/70/1123595470.db2.gz ZTSGWZMMTLMTCA-BMFAXAFESA-N 2 1 286.463 3.912 20 0 CHADMP C[C@H]1CCC[NH+]1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168042588 1123595472 /nfs/dbraw/zinc/59/54/72/1123595472.db2.gz ZTSGWZMMTLMTCA-BMFAXAFESA-N 2 1 286.463 3.912 20 0 CHADMP C[C@H]1CCC[NH+]1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168042588 1123595473 /nfs/dbraw/zinc/59/54/73/1123595473.db2.gz ZTSGWZMMTLMTCA-BMFAXAFESA-N 2 1 286.463 3.912 20 0 CHADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2sc3ccccc3c2C)C1 ZINC001205009248 1123644939 /nfs/dbraw/zinc/64/49/39/1123644939.db2.gz KPHNQLUZCGJMOE-AWEZNQCLSA-N 2 1 288.460 3.641 20 0 CHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4)s3)C[C@H]12 ZINC000346850692 1123725360 /nfs/dbraw/zinc/72/53/60/1123725360.db2.gz VCOUTJQGFWKSAF-HYVNUMGLSA-N 2 1 298.455 3.584 20 0 CHADMP CSc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000281585665 1123728857 /nfs/dbraw/zinc/72/88/57/1123728857.db2.gz LJMYAGNKCUUPPZ-NFAWXSAZSA-N 2 1 278.465 3.542 20 0 CHADMP CSc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000281585665 1123728861 /nfs/dbraw/zinc/72/88/61/1123728861.db2.gz LJMYAGNKCUUPPZ-NFAWXSAZSA-N 2 1 278.465 3.542 20 0 CHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccccn1 ZINC000347000917 1123739193 /nfs/dbraw/zinc/73/91/93/1123739193.db2.gz UPRDVYFXFJXKBJ-SOLBZPMBSA-N 2 1 289.467 3.633 20 0 CHADMP C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3)cc2F)CC[C@H]1[NH3+] ZINC000347004057 1123742761 /nfs/dbraw/zinc/74/27/61/1123742761.db2.gz NEQTXBIDISMRTH-IFXJQAMLSA-N 2 1 298.405 3.662 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)cc2F)CC[C@H]1[NH3+] ZINC000347004057 1123742764 /nfs/dbraw/zinc/74/27/64/1123742764.db2.gz NEQTXBIDISMRTH-IFXJQAMLSA-N 2 1 298.405 3.662 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3CCC[C@H]3C3CC3)C2)cc1 ZINC000475286734 1123835306 /nfs/dbraw/zinc/83/53/06/1123835306.db2.gz LOIDCWXKVBLPSD-HOJAQTOUSA-N 2 1 298.474 3.677 20 0 CHADMP Cc1cccc(NCc2ccccc2C[NH+]2CCCCC2)[nH+]1 ZINC000301294178 1123889421 /nfs/dbraw/zinc/88/94/21/1123889421.db2.gz RLIAWOVXVFDRTF-UHFFFAOYSA-N 2 1 295.430 3.988 20 0 CHADMP CC(C)[N@H+](C)CCNc1cc[nH+]c2ccc(Cl)cc12 ZINC000301576462 1123914522 /nfs/dbraw/zinc/91/45/22/1123914522.db2.gz SSKQKLWUVUPPQG-UHFFFAOYSA-N 2 1 277.799 3.640 20 0 CHADMP CC(C)[N@@H+](C)CCNc1cc[nH+]c2ccc(Cl)cc12 ZINC000301576462 1123914525 /nfs/dbraw/zinc/91/45/25/1123914525.db2.gz SSKQKLWUVUPPQG-UHFFFAOYSA-N 2 1 277.799 3.640 20 0 CHADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000794836415 1123971490 /nfs/dbraw/zinc/97/14/90/1123971490.db2.gz OBPVBOWPMPZLCK-TVPLGVNVSA-N 2 1 284.447 3.589 20 0 CHADMP CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)c1ccccn1 ZINC000159015450 1129156934 /nfs/dbraw/zinc/15/69/34/1129156934.db2.gz IKRRGAVOXHJJRS-IAGOWNOFSA-N 2 1 289.467 3.633 20 0 CHADMP CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1ccccn1 ZINC000159015450 1129156936 /nfs/dbraw/zinc/15/69/36/1129156936.db2.gz IKRRGAVOXHJJRS-IAGOWNOFSA-N 2 1 289.467 3.633 20 0 CHADMP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccccn1 ZINC000159015157 1129156954 /nfs/dbraw/zinc/15/69/54/1129156954.db2.gz IKRRGAVOXHJJRS-DLBZAZTESA-N 2 1 289.467 3.633 20 0 CHADMP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccn1 ZINC000159015157 1129156956 /nfs/dbraw/zinc/15/69/56/1129156956.db2.gz IKRRGAVOXHJJRS-DLBZAZTESA-N 2 1 289.467 3.633 20 0 CHADMP Cc1cccc(C2=CC[N@H+](CCC[NH+]3CCCCC3)CC2)c1 ZINC000444607498 1124045224 /nfs/dbraw/zinc/04/52/24/1124045224.db2.gz ISXBDGYPHQNKSL-UHFFFAOYSA-N 2 1 298.474 3.960 20 0 CHADMP Cc1cccc(C2=CC[N@@H+](CCC[NH+]3CCCCC3)CC2)c1 ZINC000444607498 1124045226 /nfs/dbraw/zinc/04/52/26/1124045226.db2.gz ISXBDGYPHQNKSL-UHFFFAOYSA-N 2 1 298.474 3.960 20 0 CHADMP CCCc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC)C2)s1 ZINC000621331885 1129164045 /nfs/dbraw/zinc/16/40/45/1129164045.db2.gz RZKHGRHHCYAHJJ-CQSZACIVSA-N 2 1 280.481 3.522 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000469977570 1124110425 /nfs/dbraw/zinc/11/04/25/1124110425.db2.gz VOJXAKLPIHTNPL-ZNMIVQPWSA-N 2 1 294.870 3.763 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H](C(C)C)c3ccccc32)CC1 ZINC000447521200 1124479779 /nfs/dbraw/zinc/47/97/79/1124479779.db2.gz VPSNXKOZRILUNH-RTBURBONSA-N 2 1 286.463 3.945 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c(C)o1 ZINC000447541283 1124484408 /nfs/dbraw/zinc/48/44/08/1124484408.db2.gz GAQMCEHJNMGVOT-GOEBONIOSA-N 2 1 278.440 3.667 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c(C)o1 ZINC000447541283 1124484413 /nfs/dbraw/zinc/48/44/13/1124484413.db2.gz GAQMCEHJNMGVOT-GOEBONIOSA-N 2 1 278.440 3.667 20 0 CHADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc21 ZINC000447542244 1124486732 /nfs/dbraw/zinc/48/67/32/1124486732.db2.gz INWLQYCGDSGEMI-LTDCPUDJSA-N 2 1 286.463 3.943 20 0 CHADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc21 ZINC000447542244 1124486735 /nfs/dbraw/zinc/48/67/35/1124486735.db2.gz INWLQYCGDSGEMI-LTDCPUDJSA-N 2 1 286.463 3.943 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(Cl)c2)[C@H](C)C1 ZINC000447728859 1124510802 /nfs/dbraw/zinc/51/08/02/1124510802.db2.gz NGBODKGODPOAJS-RHSMWYFYSA-N 2 1 294.870 3.811 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)c(Cl)c2)[C@H](C)C1 ZINC000447728859 1124510808 /nfs/dbraw/zinc/51/08/08/1124510808.db2.gz NGBODKGODPOAJS-RHSMWYFYSA-N 2 1 294.870 3.811 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(Cl)c2)[C@H](C)C1 ZINC000447728859 1124510812 /nfs/dbraw/zinc/51/08/12/1124510812.db2.gz NGBODKGODPOAJS-RHSMWYFYSA-N 2 1 294.870 3.811 20 0 CHADMP C[C@H](C[NH2+]C[C@@H](C)c1ccccc1)[N@@H+]1CCCC[C@@H]1C ZINC000447816497 1124527869 /nfs/dbraw/zinc/52/78/69/1124527869.db2.gz LEGSVFWNJJMUFB-IXDOHACOSA-N 2 1 274.452 3.643 20 0 CHADMP C[C@H](C[NH2+]C[C@@H](C)c1ccccc1)[N@H+]1CCCC[C@@H]1C ZINC000447816497 1124527873 /nfs/dbraw/zinc/52/78/73/1124527873.db2.gz LEGSVFWNJJMUFB-IXDOHACOSA-N 2 1 274.452 3.643 20 0 CHADMP C[C@@H](CC[NH2+]C1CC2(CCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000448057302 1124561595 /nfs/dbraw/zinc/56/15/95/1124561595.db2.gz BJIRCPYZOQGHJL-INIZCTEOSA-N 2 1 286.463 3.819 20 0 CHADMP CC(C)CCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000527354874 1124572456 /nfs/dbraw/zinc/57/24/56/1124572456.db2.gz BXCVHYBFSCWJIB-HOTGVXAUSA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000448551796 1124584191 /nfs/dbraw/zinc/58/41/91/1124584191.db2.gz WCKKGPQPICMLIH-DUQJVZAFSA-N 2 1 278.484 3.806 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)Cc2cccc3ccoc32)CC1 ZINC000449018227 1124630548 /nfs/dbraw/zinc/63/05/48/1124630548.db2.gz RWOXBCUIXBYMQS-UHFFFAOYSA-N 2 1 286.419 3.739 20 0 CHADMP C[C@H](Cc1coc2ccccc12)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000449068969 1124644000 /nfs/dbraw/zinc/64/40/00/1124644000.db2.gz DFKJFHCVOOSKGL-CQSZACIVSA-N 2 1 298.430 3.580 20 0 CHADMP C/C(Cl)=C/CN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000528381645 1124654647 /nfs/dbraw/zinc/65/46/47/1124654647.db2.gz NPYKAPUUUDBTIR-IBBDDHLBSA-N 2 1 284.875 3.715 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3c(F)cccc32)[C@@H](C)C1 ZINC000449349855 1124696685 /nfs/dbraw/zinc/69/66/85/1124696685.db2.gz KNFVJMGQBVFWHY-DOPJRALCSA-N 2 1 290.426 3.523 20 0 CHADMP c1c(C[N@H+]2CCC[C@@H]2c2ccccc2)sc2c1C[NH2+]CC2 ZINC000873201995 1124750498 /nfs/dbraw/zinc/75/04/98/1124750498.db2.gz IXWHEMABUJJATQ-QGZVFWFLSA-N 2 1 298.455 3.731 20 0 CHADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)CC1CCCCC1 ZINC000449560819 1124802998 /nfs/dbraw/zinc/80/29/98/1124802998.db2.gz PWYLDUHIJZMRET-CCNLRDMRSA-N 2 1 278.484 3.808 20 0 CHADMP C[C@@H](CCCC(F)(F)F)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449780951 1124871197 /nfs/dbraw/zinc/87/11/97/1124871197.db2.gz HNWPUPROBIBXNQ-LBPRGKRZSA-N 2 1 280.378 3.572 20 0 CHADMP C[C@@H](CCCC(F)(F)F)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449780951 1124871215 /nfs/dbraw/zinc/87/12/15/1124871215.db2.gz HNWPUPROBIBXNQ-LBPRGKRZSA-N 2 1 280.378 3.572 20 0 CHADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529586732 1125008648 /nfs/dbraw/zinc/00/86/48/1125008648.db2.gz FZJCOQTVJSAWMP-HIFRSBDPSA-N 2 1 288.426 3.520 20 0 CHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC000450456554 1125033985 /nfs/dbraw/zinc/03/39/85/1125033985.db2.gz UBOXKGJVKGDOME-GOSISDBHSA-N 2 1 276.468 3.541 20 0 CHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC000450456554 1125033992 /nfs/dbraw/zinc/03/39/92/1125033992.db2.gz UBOXKGJVKGDOME-GOSISDBHSA-N 2 1 276.468 3.541 20 0 CHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC000450456554 1125034000 /nfs/dbraw/zinc/03/40/00/1125034000.db2.gz UBOXKGJVKGDOME-GOSISDBHSA-N 2 1 276.468 3.541 20 0 CHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC/C=C/c2ccccc2)C1 ZINC000450459109 1125036725 /nfs/dbraw/zinc/03/67/25/1125036725.db2.gz ZRGCURRDFKBSFK-MVHVFESUSA-N 2 1 298.474 3.754 20 0 CHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC/C=C/c2ccccc2)C1 ZINC000450459109 1125036731 /nfs/dbraw/zinc/03/67/31/1125036731.db2.gz ZRGCURRDFKBSFK-MVHVFESUSA-N 2 1 298.474 3.754 20 0 CHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC000450459109 1125036736 /nfs/dbraw/zinc/03/67/36/1125036736.db2.gz ZRGCURRDFKBSFK-MVHVFESUSA-N 2 1 298.474 3.754 20 0 CHADMP C1=C(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCCC1 ZINC000450604144 1125064156 /nfs/dbraw/zinc/06/41/56/1125064156.db2.gz VTCQCLOMGTZPMB-IEBWSBKVSA-N 2 1 288.479 3.826 20 0 CHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C=CCCC1 ZINC000390982499 1125118463 /nfs/dbraw/zinc/11/84/63/1125118463.db2.gz WGLQLVGXYULVLF-OALUTQOASA-N 2 1 298.474 3.985 20 0 CHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C=CCCC1 ZINC000390982499 1125118466 /nfs/dbraw/zinc/11/84/66/1125118466.db2.gz WGLQLVGXYULVLF-OALUTQOASA-N 2 1 298.474 3.985 20 0 CHADMP CC(C)C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000530225195 1125133193 /nfs/dbraw/zinc/13/31/93/1125133193.db2.gz XBIDFFHURKMHKO-IAGOWNOFSA-N 2 1 272.436 3.648 20 0 CHADMP CCc1ccc(CC[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000530901509 1125185500 /nfs/dbraw/zinc/18/55/00/1125185500.db2.gz GNVRNFKHUQHJAC-QFBILLFUSA-N 2 1 288.479 3.596 20 0 CHADMP CCc1ccc(CC[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)cc1 ZINC000530901509 1125185502 /nfs/dbraw/zinc/18/55/02/1125185502.db2.gz GNVRNFKHUQHJAC-QFBILLFUSA-N 2 1 288.479 3.596 20 0 CHADMP CCc1ccc(CC[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)cc1 ZINC000530901509 1125185505 /nfs/dbraw/zinc/18/55/05/1125185505.db2.gz GNVRNFKHUQHJAC-QFBILLFUSA-N 2 1 288.479 3.596 20 0 CHADMP Cc1cc2cc(CN[C@H]3CC[N@@H+](C)[C@H](C)C3)oc2cc1C ZINC000530913158 1125186664 /nfs/dbraw/zinc/18/66/64/1125186664.db2.gz USHGPZITCCYCIS-ZBFHGGJFSA-N 2 1 286.419 3.622 20 0 CHADMP CC(C)(F)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000631660346 1125206253 /nfs/dbraw/zinc/20/62/53/1125206253.db2.gz VKWOSDIKEXTRFQ-OSYLJGHBSA-N 2 1 290.426 3.520 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000532192997 1125237830 /nfs/dbraw/zinc/23/78/30/1125237830.db2.gz CAYZPBVTFVSAGG-JYJNAYRXSA-N 2 1 254.462 3.665 20 0 CHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccoc1 ZINC000532233403 1125243415 /nfs/dbraw/zinc/24/34/15/1125243415.db2.gz VTWZFRNLCIAHIM-YQQAZPJKSA-N 2 1 278.440 3.831 20 0 CHADMP COc1cc(C)ccc1[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000037229346 1125364816 /nfs/dbraw/zinc/36/48/16/1125364816.db2.gz DOCAWVFIGWJZJX-MRXNPFEDSA-N 2 1 290.451 3.530 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C=CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000883238129 1125382006 /nfs/dbraw/zinc/38/20/06/1125382006.db2.gz SSLDLINKZQQNCI-LMMKCTJWSA-N 2 1 284.447 3.595 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C=CCC2)CC[N@H+]1Cc1ccccc1 ZINC000883238129 1125382009 /nfs/dbraw/zinc/38/20/09/1125382009.db2.gz SSLDLINKZQQNCI-LMMKCTJWSA-N 2 1 284.447 3.595 20 0 CHADMP CC[N@H+](C)C1CC[NH+]([C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC001168194347 1125383376 /nfs/dbraw/zinc/38/33/76/1125383376.db2.gz WFAJVNLVKZIHDE-AWEZNQCLSA-N 2 1 294.870 3.687 20 0 CHADMP CC[N@@H+](C)C1CC[NH+]([C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC001168194347 1125383378 /nfs/dbraw/zinc/38/33/78/1125383378.db2.gz WFAJVNLVKZIHDE-AWEZNQCLSA-N 2 1 294.870 3.687 20 0 CHADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C(C)C ZINC000532446656 1125388310 /nfs/dbraw/zinc/38/83/10/1125388310.db2.gz GUYQJIQKYUFBHS-CVEARBPZSA-N 2 1 254.462 3.523 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc3ccccc32)C1 ZINC000040620682 1125388976 /nfs/dbraw/zinc/38/89/76/1125388976.db2.gz BEKQGWDPRUEEBI-INIZCTEOSA-N 2 1 282.431 3.660 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000230992950 1125395928 /nfs/dbraw/zinc/39/59/28/1125395928.db2.gz VCHCKMSSNSFOMP-BBWFWOEESA-N 2 1 266.473 3.521 20 0 CHADMP CC(C)[NH2+]C1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000170987209 1125397828 /nfs/dbraw/zinc/39/78/28/1125397828.db2.gz UMUHDIMKJSENED-UHFFFAOYSA-N 2 1 288.460 3.864 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CCCSC[C@@H]1c1ccccc1 ZINC000883460692 1125410635 /nfs/dbraw/zinc/41/06/35/1125410635.db2.gz DNAAZDIYEUKFSV-QGZVFWFLSA-N 2 1 292.492 3.686 20 0 CHADMP C[C@@H]1C[C@H](C)[NH+](CCCCC[N@H+]2C[C@@H](C)C[C@H]2C)C1 ZINC000532575001 1125416126 /nfs/dbraw/zinc/41/61/26/1125416126.db2.gz MVTMJUIXPGLJSD-ZYGGUILKSA-N 2 1 266.473 3.617 20 0 CHADMP Cn1ccnc1C[C@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC000123697685 1125432156 /nfs/dbraw/zinc/43/21/56/1125432156.db2.gz HYHRJGWMNRFITK-QGZVFWFLSA-N 2 1 289.467 3.645 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC2(CCCC2)CC1 ZINC000124274249 1125436104 /nfs/dbraw/zinc/43/61/04/1125436104.db2.gz YBQBMHBEJNVMSA-UHFFFAOYSA-N 2 1 275.440 3.628 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000235999350 1125443763 /nfs/dbraw/zinc/44/37/63/1125443763.db2.gz IPTFKIQWZTWJFW-WBVHZDCISA-N 2 1 292.854 3.612 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000235999350 1125443764 /nfs/dbraw/zinc/44/37/64/1125443764.db2.gz IPTFKIQWZTWJFW-WBVHZDCISA-N 2 1 292.854 3.612 20 0 CHADMP CC[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000125146690 1125445213 /nfs/dbraw/zinc/44/52/13/1125445213.db2.gz BOCYNNKMFBUKSJ-GJZGRUSLSA-N 2 1 260.425 3.600 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1(C)CC1 ZINC000126871282 1125456489 /nfs/dbraw/zinc/45/64/89/1125456489.db2.gz UMTULRGNTZTJRK-CABCVRRESA-N 2 1 292.492 3.738 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1(C)CC1 ZINC000126871282 1125456494 /nfs/dbraw/zinc/45/64/94/1125456494.db2.gz UMTULRGNTZTJRK-CABCVRRESA-N 2 1 292.492 3.738 20 0 CHADMP CCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1CCCCC1 ZINC000164341727 1129207808 /nfs/dbraw/zinc/20/78/08/1129207808.db2.gz FNQWECGSGJTYMZ-PVAVHDDUSA-N 2 1 266.473 3.808 20 0 CHADMP CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CCCCC1 ZINC000164341727 1129207811 /nfs/dbraw/zinc/20/78/11/1129207811.db2.gz FNQWECGSGJTYMZ-PVAVHDDUSA-N 2 1 266.473 3.808 20 0 CHADMP Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2[nH+]1 ZINC000296120697 1129220626 /nfs/dbraw/zinc/22/06/26/1129220626.db2.gz VWZJIKAYGOJDTK-GOOCMWNKSA-N 2 1 281.403 3.580 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)c(Cl)c1 ZINC000296044769 1129220847 /nfs/dbraw/zinc/22/08/47/1129220847.db2.gz UQVKJDSQSKMKND-HLVVYCRESA-N 2 1 296.817 3.755 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]C1CCC(=C2CCC2)CC1 ZINC000638387791 1129257231 /nfs/dbraw/zinc/25/72/31/1129257231.db2.gz XECJCUBLJVMTOZ-UHFFFAOYSA-N 2 1 273.424 3.594 20 0 CHADMP c1ccc([C@@H]2C[C@H]([NH2+]CC3CCC3)CC[N@@H+]2C2CC2)cc1 ZINC000638437971 1129258759 /nfs/dbraw/zinc/25/87/59/1129258759.db2.gz QZZQNGRZNMBVKI-MJGOQNOKSA-N 2 1 284.447 3.744 20 0 CHADMP c1ccc([C@@H]2C[C@H]([NH2+]CC3CCC3)CC[N@H+]2C2CC2)cc1 ZINC000638437971 1129258760 /nfs/dbraw/zinc/25/87/60/1129258760.db2.gz QZZQNGRZNMBVKI-MJGOQNOKSA-N 2 1 284.447 3.744 20 0 CHADMP CC1([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCC1 ZINC000638889566 1129273689 /nfs/dbraw/zinc/27/36/89/1129273689.db2.gz BYJBKNSIESKCMU-WMZOPIPTSA-N 2 1 284.447 3.887 20 0 CHADMP CC1([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCC1 ZINC000638889566 1129273695 /nfs/dbraw/zinc/27/36/95/1129273695.db2.gz BYJBKNSIESKCMU-WMZOPIPTSA-N 2 1 284.447 3.887 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639166103 1129288097 /nfs/dbraw/zinc/28/80/97/1129288097.db2.gz DIZPKDWELSQAKB-XIVBQZFQSA-N 2 1 284.447 3.743 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639166103 1129288101 /nfs/dbraw/zinc/28/81/01/1129288101.db2.gz DIZPKDWELSQAKB-XIVBQZFQSA-N 2 1 284.447 3.743 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000639169106 1129288503 /nfs/dbraw/zinc/28/85/03/1129288503.db2.gz CFNQXOHVZQGVRM-BHIYHBOVSA-N 2 1 286.463 3.500 20 0 CHADMP CCCCC(CCCC)[NH2+]C1CC[NH+](CC)CC1 ZINC001258378961 1129295750 /nfs/dbraw/zinc/29/57/50/1129295750.db2.gz VHXPBCLURVUESN-UHFFFAOYSA-N 2 1 254.462 3.809 20 0 CHADMP CCCCC[C@H](CC)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001258437879 1129355417 /nfs/dbraw/zinc/35/54/17/1129355417.db2.gz KADJMRFURUBQEF-INIZCTEOSA-N 3 1 299.547 3.821 20 0 CHADMP CCCCC[C@H](CC)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001258448726 1129372155 /nfs/dbraw/zinc/37/21/55/1129372155.db2.gz XUCSTRKJKYXXDE-HNNXBMFYSA-N 2 1 252.446 3.515 20 0 CHADMP CC(C)[C@H](C[NH2+]C[C@@H]1CC=CCC1)[NH+]1CCC(C)CC1 ZINC000642342108 1129415076 /nfs/dbraw/zinc/41/50/76/1129415076.db2.gz KVXPYCMAGFGLCL-MSOLQXFVSA-N 2 1 278.484 3.689 20 0 CHADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cccc(Cl)c2)C1 ZINC000642621089 1129422349 /nfs/dbraw/zinc/42/23/49/1129422349.db2.gz SGSQTZPOTJJWFB-GJZGRUSLSA-N 2 1 294.870 3.798 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000643503044 1129442874 /nfs/dbraw/zinc/44/28/74/1129442874.db2.gz ZLBGTBFFZRWFRX-MROQNXINSA-N 2 1 298.883 3.625 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccc2ccccc21 ZINC000643505815 1129443529 /nfs/dbraw/zinc/44/35/29/1129443529.db2.gz VLBKOWJKTZZEFJ-YJBOKZPZSA-N 2 1 268.404 3.633 20 0 CHADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1CCC(C)(C)C1 ZINC001258598469 1129454732 /nfs/dbraw/zinc/45/47/32/1129454732.db2.gz HLTNIRILNWHCLV-NVXWUHKLSA-N 2 1 274.452 3.662 20 0 CHADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1csc(C)c1 ZINC000646128419 1129525337 /nfs/dbraw/zinc/52/53/37/1129525337.db2.gz CKDQAPQZYBXOAP-HNNXBMFYSA-N 2 1 277.437 3.692 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C1CCCC1 ZINC000647344279 1129571891 /nfs/dbraw/zinc/57/18/91/1129571891.db2.gz NHPSANOKAIBUCB-LZQZEXGQSA-N 2 1 286.463 3.500 20 0 CHADMP C[C@@H](CC1CCC1)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344209 1129571924 /nfs/dbraw/zinc/57/19/24/1129571924.db2.gz LYDDIYSLZOWLNF-IPELMVKDSA-N 2 1 286.463 3.500 20 0 CHADMP Cc1cc2cc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)oc2cc1C ZINC000647482839 1129578795 /nfs/dbraw/zinc/57/87/95/1129578795.db2.gz CEJLWUYCOIZPEC-UHFFFAOYSA-N 2 1 298.430 3.766 20 0 CHADMP c1cc(-c2ccccc2)oc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482533 1129578884 /nfs/dbraw/zinc/57/88/84/1129578884.db2.gz MVLUQLXSIQDEOM-UHFFFAOYSA-N 2 1 296.414 3.663 20 0 CHADMP c1cc(-c2ccccc2)oc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482533 1129578886 /nfs/dbraw/zinc/57/88/86/1129578886.db2.gz MVLUQLXSIQDEOM-UHFFFAOYSA-N 2 1 296.414 3.663 20 0 CHADMP CC1([NH3+])CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000647531679 1129581133 /nfs/dbraw/zinc/58/11/33/1129581133.db2.gz RBURIVDQCWAMIH-UHFFFAOYSA-N 2 1 296.414 3.792 20 0 CHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc2cnccc21 ZINC000183357619 1129624495 /nfs/dbraw/zinc/62/44/95/1129624495.db2.gz LFOKKGRYFNVKOA-GOSISDBHSA-N 2 1 297.446 3.541 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccc2cnccc21 ZINC000183357619 1129624498 /nfs/dbraw/zinc/62/44/98/1129624498.db2.gz LFOKKGRYFNVKOA-GOSISDBHSA-N 2 1 297.446 3.541 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccc2cnccc21 ZINC000183357619 1129624499 /nfs/dbraw/zinc/62/44/99/1129624499.db2.gz LFOKKGRYFNVKOA-GOSISDBHSA-N 2 1 297.446 3.541 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000379040219 1129634929 /nfs/dbraw/zinc/63/49/29/1129634929.db2.gz SGJDRBULIWCHER-WMZOPIPTSA-N 2 1 286.463 3.677 20 0 CHADMP Cc1cc[nH+]c(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000381061935 1129642148 /nfs/dbraw/zinc/64/21/48/1129642148.db2.gz LHEQSULJJVUHPI-GOSISDBHSA-N 2 1 295.430 3.714 20 0 CHADMP Cc1cc[nH+]c(NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000381061935 1129642151 /nfs/dbraw/zinc/64/21/51/1129642151.db2.gz LHEQSULJJVUHPI-GOSISDBHSA-N 2 1 295.430 3.714 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]C1(c2ccccc2C)CCC1 ZINC000649644401 1129665767 /nfs/dbraw/zinc/66/57/67/1129665767.db2.gz ACOWKGUFHTVWTJ-UHFFFAOYSA-N 2 1 297.446 3.949 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+](CC(C)(C)C)CC(C)(C)C ZINC001168902114 1129680642 /nfs/dbraw/zinc/68/06/42/1129680642.db2.gz GDPYULXJHWEORH-HNNXBMFYSA-N 2 1 268.489 3.865 20 0 CHADMP C[C@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)CCc2ccccc21 ZINC000649833095 1129680577 /nfs/dbraw/zinc/68/05/77/1129680577.db2.gz FCQSEPLJPAFDMO-FUHWJXTLSA-N 2 1 286.463 3.523 20 0 CHADMP C[C@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)CCc2ccccc21 ZINC000649833095 1129680579 /nfs/dbraw/zinc/68/05/79/1129680579.db2.gz FCQSEPLJPAFDMO-FUHWJXTLSA-N 2 1 286.463 3.523 20 0 CHADMP C[C@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)CCc2ccccc21 ZINC000649833095 1129680582 /nfs/dbraw/zinc/68/05/82/1129680582.db2.gz FCQSEPLJPAFDMO-FUHWJXTLSA-N 2 1 286.463 3.523 20 0 CHADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)CCc2ccccc21 ZINC000649833094 1129680995 /nfs/dbraw/zinc/68/09/95/1129680995.db2.gz FCQSEPLJPAFDMO-AEFFLSMTSA-N 2 1 286.463 3.523 20 0 CHADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)CCc2ccccc21 ZINC000649833094 1129680997 /nfs/dbraw/zinc/68/09/97/1129680997.db2.gz FCQSEPLJPAFDMO-AEFFLSMTSA-N 2 1 286.463 3.523 20 0 CHADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)CCc2ccccc21 ZINC000649833094 1129681000 /nfs/dbraw/zinc/68/10/00/1129681000.db2.gz FCQSEPLJPAFDMO-AEFFLSMTSA-N 2 1 286.463 3.523 20 0 CHADMP CCCc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)s1 ZINC001205995361 1129681638 /nfs/dbraw/zinc/68/16/38/1129681638.db2.gz NWYXZGVDRLCKAJ-KBPBESRZSA-N 2 1 280.481 3.507 20 0 CHADMP CC(C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001169060504 1129694182 /nfs/dbraw/zinc/69/41/82/1129694182.db2.gz YGIZAFSVMJAVSH-RTBURBONSA-N 2 1 288.479 3.718 20 0 CHADMP CC(C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC001169070205 1129695449 /nfs/dbraw/zinc/69/54/49/1129695449.db2.gz OROIAWHGOMYMAM-BHIYHBOVSA-N 2 1 288.479 3.574 20 0 CHADMP CC(C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001169070205 1129695453 /nfs/dbraw/zinc/69/54/53/1129695453.db2.gz OROIAWHGOMYMAM-BHIYHBOVSA-N 2 1 288.479 3.574 20 0 CHADMP CC(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC001169070206 1129695471 /nfs/dbraw/zinc/69/54/71/1129695471.db2.gz OROIAWHGOMYMAM-QRQLOZEOSA-N 2 1 288.479 3.574 20 0 CHADMP CC(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC001169070206 1129695472 /nfs/dbraw/zinc/69/54/72/1129695472.db2.gz OROIAWHGOMYMAM-QRQLOZEOSA-N 2 1 288.479 3.574 20 0 CHADMP CC(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC001169070208 1129695744 /nfs/dbraw/zinc/69/57/44/1129695744.db2.gz OROIAWHGOMYMAM-UHOSZYNNSA-N 2 1 288.479 3.574 20 0 CHADMP CC(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001169070208 1129695745 /nfs/dbraw/zinc/69/57/45/1129695745.db2.gz OROIAWHGOMYMAM-UHOSZYNNSA-N 2 1 288.479 3.574 20 0 CHADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C)c1 ZINC001169099543 1129696727 /nfs/dbraw/zinc/69/67/27/1129696727.db2.gz ATPOCOQFUXODEK-XMTFNYHQSA-N 2 1 272.436 3.661 20 0 CHADMP CC(C)[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC001169101269 1129697094 /nfs/dbraw/zinc/69/70/94/1129697094.db2.gz QEOAHCNKLZYPHX-FJIDUMEYSA-N 2 1 290.426 3.738 20 0 CHADMP CCC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC001169100530 1129697241 /nfs/dbraw/zinc/69/72/41/1129697241.db2.gz KPDGWSJRMQBDSE-MHORFTMASA-N 2 1 290.426 3.882 20 0 CHADMP Cc1cccc(C2([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCC2)c1 ZINC001169109563 1129703618 /nfs/dbraw/zinc/70/36/18/1129703618.db2.gz DIUNDQKSFJQFAD-BCDXTJNWSA-N 2 1 284.447 3.589 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@H](C3CCCCC3)C1)C2 ZINC001169142189 1129704534 /nfs/dbraw/zinc/70/45/34/1129704534.db2.gz ANSGDJCZHVWUIM-ZJPYXAASSA-N 2 1 276.468 3.514 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@@H](C3CCCCC3)C1)C2 ZINC001169142189 1129704535 /nfs/dbraw/zinc/70/45/35/1129704535.db2.gz ANSGDJCZHVWUIM-ZJPYXAASSA-N 2 1 276.468 3.514 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@@H](C3CCCCC3)C1)C2 ZINC001169142189 1129704537 /nfs/dbraw/zinc/70/45/37/1129704537.db2.gz ANSGDJCZHVWUIM-ZJPYXAASSA-N 2 1 276.468 3.514 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@H](C3CCCCC3)C1)C2 ZINC001169142186 1129704821 /nfs/dbraw/zinc/70/48/21/1129704821.db2.gz ANSGDJCZHVWUIM-BDXSIMOUSA-N 2 1 276.468 3.514 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](C3CCCCC3)C1)C2 ZINC001169142186 1129704823 /nfs/dbraw/zinc/70/48/23/1129704823.db2.gz ANSGDJCZHVWUIM-BDXSIMOUSA-N 2 1 276.468 3.514 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@H](C3CCCCC3)C1)C2 ZINC001169142186 1129704826 /nfs/dbraw/zinc/70/48/26/1129704826.db2.gz ANSGDJCZHVWUIM-BDXSIMOUSA-N 2 1 276.468 3.514 20 0 CHADMP CC1(C)C[C@@H](Nc2ccc3[nH]c[nH+]c3c2)C[C@](C)(C[NH3+])C1 ZINC001169152780 1129705701 /nfs/dbraw/zinc/70/57/01/1129705701.db2.gz QLDAUNXPDCTHNF-DYVFJYSZSA-N 2 1 286.423 3.519 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](c2ccccc2)C2CCCC2)CC1 ZINC001169229630 1129710782 /nfs/dbraw/zinc/71/07/82/1129710782.db2.gz GEQHUFAWIPKHPK-LJQANCHMSA-N 2 1 286.463 3.992 20 0 CHADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(C)c(C)c1 ZINC001169233981 1129711361 /nfs/dbraw/zinc/71/13/61/1129711361.db2.gz ZWKOOFHSSSLHGC-GOSISDBHSA-N 2 1 274.452 3.828 20 0 CHADMP CC[C@@H](c1ccccc1)[N@H+](C)C1CC[NH+](CC)CC1 ZINC001169266625 1129712294 /nfs/dbraw/zinc/71/22/94/1129712294.db2.gz ZCKKTETXLXYJSO-KRWDZBQOSA-N 2 1 260.425 3.554 20 0 CHADMP CC[C@@H](c1ccccc1)[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001169266625 1129712295 /nfs/dbraw/zinc/71/22/95/1129712295.db2.gz ZCKKTETXLXYJSO-KRWDZBQOSA-N 2 1 260.425 3.554 20 0 CHADMP CC[NH+]1CCC([N@H+](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC001169266379 1129712655 /nfs/dbraw/zinc/71/26/55/1129712655.db2.gz WGXQESVVLDRUNB-CYBMUJFWSA-N 2 1 280.843 3.817 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC001169266379 1129712657 /nfs/dbraw/zinc/71/26/57/1129712657.db2.gz WGXQESVVLDRUNB-CYBMUJFWSA-N 2 1 280.843 3.817 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc(C(C)(C)C)c2)CC1 ZINC001169260408 1129713765 /nfs/dbraw/zinc/71/37/65/1129713765.db2.gz CGIKVDVLHMTMFZ-GOSISDBHSA-N 2 1 288.479 3.900 20 0 CHADMP CC[C@@H](C)C[C@H](CC)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001258779856 1129726713 /nfs/dbraw/zinc/72/67/13/1129726713.db2.gz HYQIQRHDRQVNMF-UGUYLWEFSA-N 2 1 254.462 3.664 20 0 CHADMP CC[NH+](CC)C1CC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC000052049945 1129728582 /nfs/dbraw/zinc/72/85/82/1129728582.db2.gz BKPDKSDMLBBQEW-UHFFFAOYSA-N 2 1 274.452 3.610 20 0 CHADMP C[C@H]1CCc2ccccc2[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000651454313 1129739691 /nfs/dbraw/zinc/73/96/91/1129739691.db2.gz KCKWIAOTTMYASG-CLKVLLEYSA-N 2 1 284.447 3.525 20 0 CHADMP CC(C)C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(F)cc1 ZINC000652173265 1129759268 /nfs/dbraw/zinc/75/92/68/1129759268.db2.gz CFDWRNVBJFUEGL-SFHVURJKSA-N 2 1 290.426 3.764 20 0 CHADMP CC(C)c1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206025700 1129766277 /nfs/dbraw/zinc/76/62/77/1129766277.db2.gz PDYGLVQJSYWAJP-YJBOKZPZSA-N 2 1 274.452 3.617 20 0 CHADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000086907827 1129826468 /nfs/dbraw/zinc/82/64/68/1129826468.db2.gz LJKZRCOUYOIWBA-CABCVRRESA-N 2 1 254.462 3.665 20 0 CHADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)CC1 ZINC001258824227 1129827115 /nfs/dbraw/zinc/82/71/15/1129827115.db2.gz RVYBTNNZQCCPHT-WBVHZDCISA-N 2 1 266.473 3.617 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@H]3CC4CCC3CC4)C2)cc1 ZINC000381906269 1129853496 /nfs/dbraw/zinc/85/34/96/1129853496.db2.gz DZXPIJUQJPJMEM-YSNUMNBNSA-N 2 1 298.474 3.677 20 0 CHADMP C[C@@H]([NH2+]C1C[C@@H](C)[NH2+][C@H](C)C1)c1ccc(Cl)c(F)c1 ZINC001246213653 1131402639 /nfs/dbraw/zinc/40/26/39/1131402639.db2.gz RDUCQWDERYOHEL-GMTAPVOTSA-N 2 1 284.806 3.659 20 0 CHADMP CCCC[C@H](CCC)[NH2+]C[C@]1(C)CC[NH2+]CC1(F)F ZINC001246221369 1131409435 /nfs/dbraw/zinc/40/94/35/1131409435.db2.gz NVOCWGNUSKGGNT-KBPBESRZSA-N 2 1 276.415 3.570 20 0 CHADMP CC[N@@H+](CCC1CC[NH+](Cc2ccoc2)CC1)CC1CC1 ZINC000770596213 1129952092 /nfs/dbraw/zinc/95/20/92/1129952092.db2.gz CWOBIKDIKKJKSP-UHFFFAOYSA-N 2 1 290.451 3.614 20 0 CHADMP C[C@H]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903076212 1130108988 /nfs/dbraw/zinc/10/89/88/1130108988.db2.gz LNNLKUNMZLGVIV-LSLVUIDQSA-N 2 1 276.468 3.560 20 0 CHADMP CC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903082338 1130109788 /nfs/dbraw/zinc/10/97/88/1130109788.db2.gz YWOYBORXASAEEM-XIHRNRATSA-N 2 1 298.474 3.928 20 0 CHADMP CC[C@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903089574 1130110442 /nfs/dbraw/zinc/11/04/42/1130110442.db2.gz RCWIDVGSNYUUGN-FQVATPOOSA-N 2 1 298.474 3.755 20 0 CHADMP Cc1cccc([C@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903099340 1130110841 /nfs/dbraw/zinc/11/08/41/1130110841.db2.gz FGBQRAYMOUTNOL-XIHRNRATSA-N 2 1 298.474 3.846 20 0 CHADMP FC1(F)CCCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903177101 1130125192 /nfs/dbraw/zinc/12/51/92/1130125192.db2.gz HNFYBJHJGUQDAU-WYQXTGKHSA-N 2 1 298.421 3.559 20 0 CHADMP CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1=CCCC1 ZINC000903183084 1130125525 /nfs/dbraw/zinc/12/55/25/1130125525.db2.gz JUZDJEKGNQSMNA-ZNXRZULTSA-N 2 1 288.479 3.870 20 0 CHADMP CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001170074319 1130153708 /nfs/dbraw/zinc/15/37/08/1130153708.db2.gz RDLDLLNBURCQLS-YESZJQIVSA-N 2 1 268.489 3.910 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+](CC)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903431290 1130176914 /nfs/dbraw/zinc/17/69/14/1130176914.db2.gz RCXHZTZRLYKTST-HYVNUMGLSA-N 2 1 260.425 3.587 20 0 CHADMP Cl/C=C/C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000903443175 1130177567 /nfs/dbraw/zinc/17/75/67/1130177567.db2.gz CNUNAFUJOJYTGA-YKMDKHMNSA-N 2 1 290.838 3.524 20 0 CHADMP C[C@H]1C[C@H](c2ccccc2)[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001170085031 1130188693 /nfs/dbraw/zinc/18/86/93/1130188693.db2.gz FHSOIUSORKSOPF-PKOBYXMFSA-N 2 1 286.463 3.946 20 0 CHADMP CCCC[N@@H+](C[C@H]([NH3+])CC(F)F)[C@@H](C)c1ccccc1 ZINC000903894661 1130209153 /nfs/dbraw/zinc/20/91/53/1130209153.db2.gz BDMQELZYLSTZAQ-DZGCQCFKSA-N 2 1 284.394 3.832 20 0 CHADMP CCC(CC)[N@@H+]([C@H]1CC[C@@H](C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170116752 1130274387 /nfs/dbraw/zinc/27/43/87/1130274387.db2.gz GCSJHEWGAWBKLU-SRABZTEZSA-N 2 1 266.473 3.936 20 0 CHADMP C[C@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3cccc(Cl)c3)CC2)C1 ZINC001170119613 1130275065 /nfs/dbraw/zinc/27/50/65/1130275065.db2.gz ZCZVSHRMADFLMK-XJKSGUPXSA-N 2 1 292.854 3.778 20 0 CHADMP [NH3+]Cc1cccc(C2=CCC[N@@H+](Cc3ccccc3)C2)c1F ZINC001240387780 1130286664 /nfs/dbraw/zinc/28/66/64/1130286664.db2.gz XAQIUPFTJMAODR-UHFFFAOYSA-N 2 1 296.389 3.574 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000678079655 1130349371 /nfs/dbraw/zinc/34/93/71/1130349371.db2.gz VGJUIFYMODUWBR-SFHVURJKSA-N 2 1 299.418 3.514 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000678079655 1130349375 /nfs/dbraw/zinc/34/93/75/1130349375.db2.gz VGJUIFYMODUWBR-SFHVURJKSA-N 2 1 299.418 3.514 20 0 CHADMP C[C@@H]1CC[C@@H]([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)C1 ZINC001170150709 1130358413 /nfs/dbraw/zinc/35/84/13/1130358413.db2.gz OLXKMFMLLQRSLV-OXQOHEQNSA-N 2 1 298.474 3.698 20 0 CHADMP C[C@@H]1CC[C@@H]([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)C1 ZINC001170150709 1130358418 /nfs/dbraw/zinc/35/84/18/1130358418.db2.gz OLXKMFMLLQRSLV-OXQOHEQNSA-N 2 1 298.474 3.698 20 0 CHADMP C[C@H]1CC[C@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC001170152673 1130362225 /nfs/dbraw/zinc/36/22/25/1130362225.db2.gz MKRNJMWUMOYOPO-LPHOPBHVSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCC1 ZINC000679398210 1130527929 /nfs/dbraw/zinc/52/79/29/1130527929.db2.gz MALSINGHOKYVHU-MVJPYGJCSA-N 2 1 298.474 3.960 20 0 CHADMP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)o1 ZINC000793206202 1130533585 /nfs/dbraw/zinc/53/35/85/1130533585.db2.gz CNAQDSPHKQXMFS-GOSISDBHSA-N 2 1 298.430 3.508 20 0 CHADMP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)o1 ZINC000793206202 1130533588 /nfs/dbraw/zinc/53/35/88/1130533588.db2.gz CNAQDSPHKQXMFS-GOSISDBHSA-N 2 1 298.430 3.508 20 0 CHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1CCc2ccccc21 ZINC000679535076 1130536161 /nfs/dbraw/zinc/53/61/61/1130536161.db2.gz UNUNPVHNIZIAJU-ZWKOTPCHSA-N 2 1 286.463 3.523 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H]1CCc2ccccc21 ZINC000679535076 1130536163 /nfs/dbraw/zinc/53/61/63/1130536163.db2.gz UNUNPVHNIZIAJU-ZWKOTPCHSA-N 2 1 286.463 3.523 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H]1CCc2ccccc21 ZINC000679535076 1130536164 /nfs/dbraw/zinc/53/61/64/1130536164.db2.gz UNUNPVHNIZIAJU-ZWKOTPCHSA-N 2 1 286.463 3.523 20 0 CHADMP CCC(CC)(CC)C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000679840515 1130560020 /nfs/dbraw/zinc/56/00/20/1130560020.db2.gz IDLIUOJQEPNUSG-UHFFFAOYSA-N 2 1 298.515 3.682 20 0 CHADMP Fc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c2ccccc12 ZINC001234992262 1130699938 /nfs/dbraw/zinc/69/99/38/1130699938.db2.gz HZTGOWGVEWCROU-LJQANCHMSA-N 2 1 298.405 3.554 20 0 CHADMP Cc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc(C)c1Cl ZINC001234997388 1130701804 /nfs/dbraw/zinc/70/18/04/1130701804.db2.gz BVVFZDAKHUMWFL-KRWDZBQOSA-N 2 1 292.854 3.532 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc(C)c1Cl ZINC001234997388 1130701810 /nfs/dbraw/zinc/70/18/10/1130701810.db2.gz BVVFZDAKHUMWFL-KRWDZBQOSA-N 2 1 292.854 3.532 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC001235008709 1130702452 /nfs/dbraw/zinc/70/24/52/1130702452.db2.gz SYECUVYWRCLTLN-UHFFFAOYSA-N 2 1 292.426 3.585 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1CC2CC1(C[NH3+])C2 ZINC001235008709 1130702460 /nfs/dbraw/zinc/70/24/60/1130702460.db2.gz SYECUVYWRCLTLN-UHFFFAOYSA-N 2 1 292.426 3.585 20 0 CHADMP CC(C)=CCCC1=CC[C@@H](C[N@H+]2CCC3(C[NH2+]C3)C2)CC1 ZINC001235024487 1130703255 /nfs/dbraw/zinc/70/32/55/1130703255.db2.gz MLLDQPGYXSPAQX-GOSISDBHSA-N 2 1 288.479 3.755 20 0 CHADMP CC(C)=CCCC1=CC[C@@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001235038840 1130704907 /nfs/dbraw/zinc/70/49/07/1130704907.db2.gz QRJIGPPPZLRPOK-CEXWTWQISA-N 2 1 288.479 3.896 20 0 CHADMP CC(C)=CCCC1=CC[C@@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001235038840 1130704911 /nfs/dbraw/zinc/70/49/11/1130704911.db2.gz QRJIGPPPZLRPOK-CEXWTWQISA-N 2 1 288.479 3.896 20 0 CHADMP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235041363 1130705096 /nfs/dbraw/zinc/70/50/96/1130705096.db2.gz ZOTLGQMQBYXFER-KRWDZBQOSA-N 2 1 292.854 3.757 20 0 CHADMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235041363 1130705101 /nfs/dbraw/zinc/70/51/01/1130705101.db2.gz ZOTLGQMQBYXFER-KRWDZBQOSA-N 2 1 292.854 3.757 20 0 CHADMP c1ccc(CCCCC[N@@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001235126020 1130713263 /nfs/dbraw/zinc/71/32/63/1130713263.db2.gz QYGVIANRBMTLOI-LJQANCHMSA-N 2 1 286.463 3.617 20 0 CHADMP c1ccc(CCCCC[N@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001235126020 1130713269 /nfs/dbraw/zinc/71/32/69/1130713269.db2.gz QYGVIANRBMTLOI-LJQANCHMSA-N 2 1 286.463 3.617 20 0 CHADMP Cc1cccc2[nH]cc(C[N@@H+]3CCCC[C@]34CCC[NH2+]C4)c21 ZINC001235168286 1130715744 /nfs/dbraw/zinc/71/57/44/1130715744.db2.gz QLYDAISOMBFMEL-LJQANCHMSA-N 2 1 297.446 3.584 20 0 CHADMP Cc1cccc2[nH]cc(C[N@H+]3CCCC[C@]34CCC[NH2+]C4)c21 ZINC001235168286 1130715750 /nfs/dbraw/zinc/71/57/50/1130715750.db2.gz QLYDAISOMBFMEL-LJQANCHMSA-N 2 1 297.446 3.584 20 0 CHADMP c1cc2cc(C[N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)ccc2[nH]1 ZINC001235155165 1130715990 /nfs/dbraw/zinc/71/59/90/1130715990.db2.gz NLCUTEILLZFWPC-LJQANCHMSA-N 2 1 297.446 3.522 20 0 CHADMP Cc1ccc([C@@H](C)CC[N@@H+]2CCCC[C@]23CCC[NH2+]C3)o1 ZINC001235173039 1130717822 /nfs/dbraw/zinc/71/78/22/1130717822.db2.gz PCUJRNRJQSZYFO-MAUKXSAKSA-N 2 1 290.451 3.690 20 0 CHADMP Cc1ccc([C@@H](C)CC[N@H+]2CCCC[C@]23CCC[NH2+]C3)o1 ZINC001235173039 1130717828 /nfs/dbraw/zinc/71/78/28/1130717828.db2.gz PCUJRNRJQSZYFO-MAUKXSAKSA-N 2 1 290.451 3.690 20 0 CHADMP Cc1ccc(C[N@@H+]2CCCCC23CC[NH2+]CC3)c(Cl)c1 ZINC001235190584 1130720378 /nfs/dbraw/zinc/72/03/78/1130720378.db2.gz WRWQQEOJDLWDBT-UHFFFAOYSA-N 2 1 292.854 3.757 20 0 CHADMP Cc1ccc(C[N@H+]2CCCCC23CC[NH2+]CC3)c(Cl)c1 ZINC001235190584 1130720382 /nfs/dbraw/zinc/72/03/82/1130720382.db2.gz WRWQQEOJDLWDBT-UHFFFAOYSA-N 2 1 292.854 3.757 20 0 CHADMP c1cc(C[N@H+]2CCCCC23CC[NH2+]CC3)c2c(c1)CCCC2 ZINC001235188976 1130721347 /nfs/dbraw/zinc/72/13/47/1130721347.db2.gz DASMJQOTOFBCMJ-UHFFFAOYSA-N 2 1 298.474 3.674 20 0 CHADMP C[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)c1cccc2ccccc21 ZINC001235257011 1130728831 /nfs/dbraw/zinc/72/88/31/1130728831.db2.gz WMYAUSKRLFFIST-OXFYSEKESA-N 2 1 294.442 3.627 20 0 CHADMP CC(C)(C)CC[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235379807 1130737874 /nfs/dbraw/zinc/73/78/74/1130737874.db2.gz QUGRKLWHOGYLJW-MJGOQNOKSA-N 2 1 286.463 3.502 20 0 CHADMP Cc1cc(C)cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235426238 1130741884 /nfs/dbraw/zinc/74/18/84/1130741884.db2.gz NZZUUCZRAGJTCE-RTBURBONSA-N 2 1 286.463 3.515 20 0 CHADMP Clc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235426127 1130742014 /nfs/dbraw/zinc/74/20/14/1130742014.db2.gz NIYZEOKAAZASJE-JKSUJKDBSA-N 2 1 292.854 3.552 20 0 CHADMP c1cc2cccc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c2o1 ZINC001235429314 1130742682 /nfs/dbraw/zinc/74/26/82/1130742682.db2.gz SUBCCFBLNOGVPN-IRXDYDNUSA-N 2 1 298.430 3.644 20 0 CHADMP C[C@@H](C[N@@H+](C)CC1CC[NH2+]CC1)c1cccc2ccccc21 ZINC001235433660 1130743076 /nfs/dbraw/zinc/74/30/76/1130743076.db2.gz TXIFOPMKBHQVBA-INIZCTEOSA-N 2 1 296.458 3.875 20 0 CHADMP Cc1c(C)c(C)c(C[N@@H+](C)CC2CC[NH2+]CC2)c(C)c1C ZINC001235432908 1130744485 /nfs/dbraw/zinc/74/44/85/1130744485.db2.gz AJOMARYWBCHZNV-UHFFFAOYSA-N 2 1 288.479 3.660 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001235673505 1130764962 /nfs/dbraw/zinc/76/49/62/1130764962.db2.gz BEKUZDKFQSLUOJ-KRWDZBQOSA-N 2 1 294.442 3.833 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C[NH3+])cc2)cc1 ZINC001235677267 1130765437 /nfs/dbraw/zinc/76/54/37/1130765437.db2.gz GATWWHZNYISNHN-IBGZPJMESA-N 2 1 280.415 3.791 20 0 CHADMP Cc1csc2sc(C[N@H+]3CCC[C@H](C[NH3+])C3)c(C)c12 ZINC001235675020 1130766239 /nfs/dbraw/zinc/76/62/39/1130766239.db2.gz HTSNQZIWDAUYSN-GFCCVEGCSA-N 2 1 294.489 3.750 20 0 CHADMP C[N@@H+](CCCc1ccccc1Cl)CCC1CC[NH2+]CC1 ZINC001235714439 1130771090 /nfs/dbraw/zinc/77/10/90/1130771090.db2.gz LLZSXWBOXRBBKE-UHFFFAOYSA-N 2 1 294.870 3.594 20 0 CHADMP CC[NH2+]C1CC[NH+](Cc2ccc(C3CCC3)cc2)CC1 ZINC001235726922 1130773381 /nfs/dbraw/zinc/77/33/81/1130773381.db2.gz QLALZSYIYDFSAL-UHFFFAOYSA-N 2 1 272.436 3.528 20 0 CHADMP CC[N@@H+](CC[C@@H](C)CCC=C(C)C)C1CC[NH2+]CC1 ZINC001235760407 1130776967 /nfs/dbraw/zinc/77/69/67/1130776967.db2.gz PQUBHSRENLMCNO-INIZCTEOSA-N 2 1 266.473 3.833 20 0 CHADMP CCCCc1ccc(C[N@@H+](CC)C2CC[NH2+]CC2)s1 ZINC001235759877 1130777107 /nfs/dbraw/zinc/77/71/07/1130777107.db2.gz DDVLQWHJQBDQFP-UHFFFAOYSA-N 2 1 280.481 3.665 20 0 CHADMP CC[N@@H+](Cc1ccc(F)c2ccccc12)C1CC[NH2+]CC1 ZINC001235761494 1130777210 /nfs/dbraw/zinc/77/72/10/1130777210.db2.gz LFLKSCLMQGOOOC-UHFFFAOYSA-N 2 1 286.394 3.553 20 0 CHADMP C[NH2+]C1CC[NH+](Cc2ccc(-c3ccc(F)cc3)cc2)CC1 ZINC001235789689 1130779990 /nfs/dbraw/zinc/77/99/90/1130779990.db2.gz VUUOJYIJDFCWCA-UHFFFAOYSA-N 2 1 298.405 3.677 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC001235825187 1130783425 /nfs/dbraw/zinc/78/34/25/1130783425.db2.gz JXHYRCQDLUFGLU-AWEZNQCLSA-N 2 1 280.843 3.648 20 0 CHADMP Clc1ccccc1[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001235826881 1130783528 /nfs/dbraw/zinc/78/35/28/1130783528.db2.gz FBLDPBHXNFZTIU-LSDHHAIUSA-N 2 1 292.854 3.519 20 0 CHADMP CC(C)c1cc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)ccc1Cl ZINC001235841774 1130787846 /nfs/dbraw/zinc/78/78/46/1130787846.db2.gz JDUQETOUDVFXFS-CQSZACIVSA-N 2 1 280.843 3.505 20 0 CHADMP CC(C)c1ccc(C[C@@H](C)C[N@@H+](C)C[C@H]2CC[NH2+]C2)cc1 ZINC001235840884 1130787960 /nfs/dbraw/zinc/78/79/60/1130787960.db2.gz CJAJUROISJASNJ-AEFFLSMTSA-N 2 1 288.479 3.530 20 0 CHADMP Clc1cccc([C@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)c1 ZINC001235949487 1130814906 /nfs/dbraw/zinc/81/49/06/1130814906.db2.gz AHYFEEISWBMGAI-ZBFHGGJFSA-N 2 1 292.854 3.519 20 0 CHADMP c1ccc([C@@H]2CC[N@H+]2CCC[NH2+]C2CCCCC2)cc1 ZINC001235949524 1130815318 /nfs/dbraw/zinc/81/53/18/1130815318.db2.gz NUEOEJZTLPUZDS-SFHVURJKSA-N 2 1 272.436 3.746 20 0 CHADMP c1ccc([C@@H]2CC[N@@H+]2CCC[NH2+]C2CCCCC2)cc1 ZINC001235949524 1130815326 /nfs/dbraw/zinc/81/53/26/1130815326.db2.gz NUEOEJZTLPUZDS-SFHVURJKSA-N 2 1 272.436 3.746 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC001235959914 1130817197 /nfs/dbraw/zinc/81/71/97/1130817197.db2.gz NMXUHYZNVSWAEH-GOSISDBHSA-N 2 1 274.452 3.775 20 0 CHADMP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@H+]1CCC12CC([NH3+])(C1)C2 ZINC001235962551 1130819613 /nfs/dbraw/zinc/81/96/13/1130819613.db2.gz MRANZFBWEXNNSX-VEZWFGLTSA-N 2 1 294.483 3.521 20 0 CHADMP CCC(CC)[N@@H+](CC)CCC[NH2+]C1CCCCC1 ZINC001235963512 1130820588 /nfs/dbraw/zinc/82/05/88/1130820588.db2.gz WDIZZVLFQBZRBX-UHFFFAOYSA-N 2 1 254.462 3.809 20 0 CHADMP Cc1ccc(-c2cccc(C[N@@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)c2)cc1 ZINC001235990153 1130825544 /nfs/dbraw/zinc/82/55/44/1130825544.db2.gz LLJPTLRYALBZBX-VQTJNVASSA-N 2 1 292.426 3.585 20 0 CHADMP Cc1ccc(-c2cccc(C[N@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)c2)cc1 ZINC001235990153 1130825551 /nfs/dbraw/zinc/82/55/51/1130825551.db2.gz LLJPTLRYALBZBX-VQTJNVASSA-N 2 1 292.426 3.585 20 0 CHADMP c1cc(C[N@H+]2CCC[C@@H]2C2CCCCC2)cc2c1C[NH2+]C2 ZINC001236040977 1130835606 /nfs/dbraw/zinc/83/56/06/1130835606.db2.gz GOBHBNMWKMZZHF-LJQANCHMSA-N 2 1 284.447 3.835 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1C[C@H](C)C[C@H]([NH3+])C1 ZINC001236049863 1130839056 /nfs/dbraw/zinc/83/90/56/1130839056.db2.gz QZIOGPIHUXMEIT-QAPCUYQASA-N 2 1 294.442 3.831 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1C[C@H](C)C[C@H]([NH3+])C1 ZINC001236049863 1130839060 /nfs/dbraw/zinc/83/90/60/1130839060.db2.gz QZIOGPIHUXMEIT-QAPCUYQASA-N 2 1 294.442 3.831 20 0 CHADMP C[NH2+]C[C@H]1CC[N@H+](Cc2sc(Cl)c3ccccc32)C1 ZINC001236069295 1130847358 /nfs/dbraw/zinc/84/73/58/1130847358.db2.gz ZKOGSFPJLXNPHJ-LLVKDONJSA-N 2 1 294.851 3.596 20 0 CHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2sc(Cl)c3ccccc32)C1 ZINC001236069295 1130847365 /nfs/dbraw/zinc/84/73/65/1130847365.db2.gz ZKOGSFPJLXNPHJ-LLVKDONJSA-N 2 1 294.851 3.596 20 0 CHADMP Clc1cccc2c1C[N@H+](Cc1ccc3c(c1)C[NH2+]C3)CC2 ZINC001236079115 1130851348 /nfs/dbraw/zinc/85/13/48/1130851348.db2.gz POWCYSOVWRCEQO-UHFFFAOYSA-N 2 1 298.817 3.502 20 0 CHADMP Clc1cccc2c1C[N@@H+](Cc1ccc3c(c1)C[NH2+]C3)CC2 ZINC001236079115 1130851355 /nfs/dbraw/zinc/85/13/55/1130851355.db2.gz POWCYSOVWRCEQO-UHFFFAOYSA-N 2 1 298.817 3.502 20 0 CHADMP CC(C)C[N@@H+]([C@@H]1C[C@@H]2[C@H](C1)C2(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170736377 1130857125 /nfs/dbraw/zinc/85/71/25/1130857125.db2.gz LNDQWIMZXGLUCZ-YQLLOFTFSA-N 2 1 278.484 3.649 20 0 CHADMP CC[C@H]([NH3+])C[N@H+](C)CCC(c1ccccc1)c1ccccc1 ZINC001236092083 1130858241 /nfs/dbraw/zinc/85/82/41/1130858241.db2.gz GEKRSSLRKVDPAV-IBGZPJMESA-N 2 1 296.458 3.878 20 0 CHADMP CC[C@H]([NH3+])C[N@@H+](C)CCC(c1ccccc1)c1ccccc1 ZINC001236092083 1130858249 /nfs/dbraw/zinc/85/82/49/1130858249.db2.gz GEKRSSLRKVDPAV-IBGZPJMESA-N 2 1 296.458 3.878 20 0 CHADMP CC[N@@H+](Cc1c(F)cccc1Cl)CC1(C)CC[NH2+]CC1 ZINC001236104548 1130863148 /nfs/dbraw/zinc/86/31/48/1130863148.db2.gz LSCYBMHOLSHFQH-UHFFFAOYSA-N 2 1 298.833 3.691 20 0 CHADMP C[N@@H+](CCCC[NH3+])Cc1cc(Cl)ccc1C(F)(F)F ZINC001236142548 1130873806 /nfs/dbraw/zinc/87/38/06/1130873806.db2.gz YKDLPAOZZHCOSU-UHFFFAOYSA-N 2 1 294.748 3.530 20 0 CHADMP Clc1cccc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)c1 ZINC001236152183 1130875483 /nfs/dbraw/zinc/87/54/83/1130875483.db2.gz OWSRHTQXDHXPAV-PBHICJAKSA-N 2 1 292.854 3.867 20 0 CHADMP CCC[N@@H+](Cc1coc2ccc(F)cc12)C1CC[NH2+]CC1 ZINC001236183128 1130881375 /nfs/dbraw/zinc/88/13/75/1130881375.db2.gz UTGUIIIMFAOHEL-UHFFFAOYSA-N 2 1 290.382 3.536 20 0 CHADMP c1[nH]c2ccccc2c1[C@H]1CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC001236190641 1130884103 /nfs/dbraw/zinc/88/41/03/1130884103.db2.gz WDFMBDYSPIWUKS-LJQANCHMSA-N 2 1 297.446 3.695 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236204695 1130886341 /nfs/dbraw/zinc/88/63/41/1130886341.db2.gz AAHWKTADFMHTAD-QGZVFWFLSA-N 2 1 288.460 3.784 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236204695 1130886346 /nfs/dbraw/zinc/88/63/46/1130886346.db2.gz AAHWKTADFMHTAD-QGZVFWFLSA-N 2 1 288.460 3.784 20 0 CHADMP C[N@H+](Cc1cc2ccccc2s1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236211920 1130887138 /nfs/dbraw/zinc/88/71/38/1130887138.db2.gz JXTOQNHLQTUNJN-GJZGRUSLSA-N 2 1 274.433 3.603 20 0 CHADMP C[N@@H+](Cc1cc2ccccc2s1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236211920 1130887140 /nfs/dbraw/zinc/88/71/40/1130887140.db2.gz JXTOQNHLQTUNJN-GJZGRUSLSA-N 2 1 274.433 3.603 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2c(C)cc(Cl)cc2C)CC1 ZINC001236215254 1130889492 /nfs/dbraw/zinc/88/94/92/1130889492.db2.gz MHKZHWQQVIVFNV-UHFFFAOYSA-N 2 1 294.870 3.919 20 0 CHADMP COc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1C(C)C ZINC001236214827 1130890357 /nfs/dbraw/zinc/89/03/57/1130890357.db2.gz FQMMRMFNVXNEFR-DLBZAZTESA-N 2 1 290.451 3.520 20 0 CHADMP COc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1C(C)C ZINC001236214827 1130890364 /nfs/dbraw/zinc/89/03/64/1130890364.db2.gz FQMMRMFNVXNEFR-DLBZAZTESA-N 2 1 290.451 3.520 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(-c3ccccc3)o2)CC1 ZINC001236215292 1130890448 /nfs/dbraw/zinc/89/04/48/1130890448.db2.gz NFBGYFPTECRIBI-UHFFFAOYSA-N 2 1 298.430 3.909 20 0 CHADMP CC(C)c1ccccc1C[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219146 1130893824 /nfs/dbraw/zinc/89/38/24/1130893824.db2.gz VCKDPIIMHRAOEP-SJORKVTESA-N 2 1 260.425 3.512 20 0 CHADMP CC(C)c1ccccc1C[N@@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219146 1130893831 /nfs/dbraw/zinc/89/38/31/1130893831.db2.gz VCKDPIIMHRAOEP-SJORKVTESA-N 2 1 260.425 3.512 20 0 CHADMP C[N@H+](Cc1ccc2ccsc2c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219490 1130893931 /nfs/dbraw/zinc/89/39/31/1130893931.db2.gz WWJKFEAHZRPULM-GJZGRUSLSA-N 2 1 274.433 3.603 20 0 CHADMP C[N@@H+](Cc1ccc2ccsc2c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219490 1130893939 /nfs/dbraw/zinc/89/39/39/1130893939.db2.gz WWJKFEAHZRPULM-GJZGRUSLSA-N 2 1 274.433 3.603 20 0 CHADMP C[N@@H+](Cc1ccc(-c2ccccc2)o1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236223500 1130897874 /nfs/dbraw/zinc/89/78/74/1130897874.db2.gz NZCVKJZJIGPMKS-WKILWMFISA-N 2 1 284.403 3.648 20 0 CHADMP CC[N@@H+](CC[C@H]1CCCC[NH2+]1)Cc1ccc(C)c(C)c1 ZINC001236239220 1130902133 /nfs/dbraw/zinc/90/21/33/1130902133.db2.gz BZIMTWFFJSKJJF-GOSISDBHSA-N 2 1 274.452 3.658 20 0 CHADMP CC[N@@H+](Cc1ccc(C)cc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236243167 1130903438 /nfs/dbraw/zinc/90/34/38/1130903438.db2.gz CYCRFXCSLXHPIL-UHFFFAOYSA-N 2 1 294.442 3.663 20 0 CHADMP Cc1cccc(C)c1-c1cccc(C[N@@H+]2CCC[C@@H]2C[NH3+])c1 ZINC001236250065 1130904857 /nfs/dbraw/zinc/90/48/57/1130904857.db2.gz ANNUAGKFXNDYLO-LJQANCHMSA-N 2 1 294.442 3.894 20 0 CHADMP Cc1cccc(C)c1-c1cccc(C[N@H+]2CCC[C@@H]2C[NH3+])c1 ZINC001236250065 1130904861 /nfs/dbraw/zinc/90/48/61/1130904861.db2.gz ANNUAGKFXNDYLO-LJQANCHMSA-N 2 1 294.442 3.894 20 0 CHADMP CCCCCC[N@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236366828 1130920583 /nfs/dbraw/zinc/92/05/83/1130920583.db2.gz HBKUCSRPAZIVAI-UHFFFAOYSA-N 2 1 292.442 3.960 20 0 CHADMP CCCCCC[N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236366828 1130920584 /nfs/dbraw/zinc/92/05/84/1130920584.db2.gz HBKUCSRPAZIVAI-UHFFFAOYSA-N 2 1 292.442 3.960 20 0 CHADMP CCC(CC)C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236370492 1130921974 /nfs/dbraw/zinc/92/19/74/1130921974.db2.gz GOTKDRNOQZQURQ-MRXNPFEDSA-N 2 1 266.473 3.667 20 0 CHADMP CC(C)(C)C[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236383730 1130924294 /nfs/dbraw/zinc/92/42/94/1130924294.db2.gz WKJHOLQWNNGFTR-UHFFFAOYSA-N 2 1 292.442 3.673 20 0 CHADMP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1cccc2c3ccccc3oc21 ZINC001236419413 1130934350 /nfs/dbraw/zinc/93/43/50/1130934350.db2.gz INSOLOLECCMIBI-GUYCJALGSA-N 2 1 294.398 3.898 20 0 CHADMP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1cccc2c3ccccc3oc21 ZINC001236419413 1130934353 /nfs/dbraw/zinc/93/43/53/1130934353.db2.gz INSOLOLECCMIBI-GUYCJALGSA-N 2 1 294.398 3.898 20 0 CHADMP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1cccc(-c2ccccc2)c1 ZINC001236419755 1130934382 /nfs/dbraw/zinc/93/43/82/1130934382.db2.gz JYIGJDMMXDADBF-BEFAXECRSA-N 2 1 280.415 3.665 20 0 CHADMP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1cccc(-c2ccccc2)c1 ZINC001236419755 1130934386 /nfs/dbraw/zinc/93/43/86/1130934386.db2.gz JYIGJDMMXDADBF-BEFAXECRSA-N 2 1 280.415 3.665 20 0 CHADMP C[NH+](C)Cc1cccc(-c2ccc([C@@H]3CC[N@@H+](C)C3)cc2)c1 ZINC001236425823 1130937906 /nfs/dbraw/zinc/93/79/06/1130937906.db2.gz IKNCBWXNDLHZBO-HXUWFJFHSA-N 2 1 294.442 3.834 20 0 CHADMP C[N@H+]1CC[C@H](Nc2ccc(N3CCCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000796857041 1130940095 /nfs/dbraw/zinc/94/00/95/1130940095.db2.gz CAVJHSGIBYALDL-FHWLQOOXSA-N 2 1 299.462 3.572 20 0 CHADMP CC(C)(C)C[N@@H+](Cc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC001236456340 1130946957 /nfs/dbraw/zinc/94/69/57/1130946957.db2.gz CIEFAEYKPLKISW-UHFFFAOYSA-N 2 1 294.870 3.940 20 0 CHADMP CCc1ccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)cc1 ZINC001236457506 1130947313 /nfs/dbraw/zinc/94/73/13/1130947313.db2.gz MEUBLQINFUEQHC-UHFFFAOYSA-N 2 1 288.479 3.849 20 0 CHADMP Cc1ccsc1C[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236458223 1130947351 /nfs/dbraw/zinc/94/73/51/1130947351.db2.gz TWGFIQSRMSCWKC-UHFFFAOYSA-N 2 1 280.481 3.657 20 0 CHADMP CCCc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236468514 1130948555 /nfs/dbraw/zinc/94/85/55/1130948555.db2.gz OSWJERVWGXJWFO-GOSISDBHSA-N 2 1 274.452 3.602 20 0 CHADMP CCCc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236468514 1130948559 /nfs/dbraw/zinc/94/85/59/1130948559.db2.gz OSWJERVWGXJWFO-GOSISDBHSA-N 2 1 274.452 3.602 20 0 CHADMP CC[C@@H](C)C[N@@H+](Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001236481333 1130952108 /nfs/dbraw/zinc/95/21/08/1130952108.db2.gz RFYMKFGBMHOQRK-CQSZACIVSA-N 2 1 292.442 3.734 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cc(Cl)cs2)CC2CC2)CC1 ZINC001236554223 1130974383 /nfs/dbraw/zinc/97/43/83/1130974383.db2.gz XNZCSHWHFGNZPC-HDJSIYSDSA-N 2 1 298.883 3.883 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2coc3ccccc23)CC2CC2)CC1 ZINC001236553626 1130974406 /nfs/dbraw/zinc/97/44/06/1130974406.db2.gz RJQOKHGODZWTOQ-QAQDUYKDSA-N 2 1 298.430 3.915 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@H]2CC=CCC2)C2CCCC2)CC1 ZINC001236566090 1130976404 /nfs/dbraw/zinc/97/64/04/1130976404.db2.gz BKYKJCXKGVHPFS-BQFCYCMXSA-N 2 1 276.468 3.857 20 0 CHADMP CC[C@@H](C)C[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236566281 1130976901 /nfs/dbraw/zinc/97/69/01/1130976901.db2.gz VXXSCHVXDFIPGY-BFYDXBDKSA-N 2 1 266.473 3.937 20 0 CHADMP Cc1ccc(C[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1C ZINC001236572022 1130978078 /nfs/dbraw/zinc/97/80/78/1130978078.db2.gz KYZVNSLKJZKYJQ-UAPYVXQJSA-N 2 1 286.463 3.928 20 0 CHADMP CC1=CC[C@@H](CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)C1(C)C ZINC001236584620 1130980314 /nfs/dbraw/zinc/98/03/14/1130980314.db2.gz MIVVBCUOTZUAAF-SJORKVTESA-N 2 1 290.495 3.833 20 0 CHADMP CC1=CC[C@H](CC[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)C1(C)C ZINC001236584611 1130981075 /nfs/dbraw/zinc/98/10/75/1130981075.db2.gz MIVVBCUOTZUAAF-DLBZAZTESA-N 2 1 290.495 3.833 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@](C)(C[NH3+])C3)cc2)cc1 ZINC001236605474 1130983319 /nfs/dbraw/zinc/98/33/19/1130983319.db2.gz VKNHCBFRJILIEA-FQEVSTJZSA-N 2 1 294.442 3.833 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001236604794 1130983867 /nfs/dbraw/zinc/98/38/67/1130983867.db2.gz OBCQFFDQMYKPKV-AWFCHZOYSA-N 2 1 252.446 3.574 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3CC[C@@](C)(C[NH3+])C3)cc2)c1 ZINC001236618149 1130984790 /nfs/dbraw/zinc/98/47/90/1130984790.db2.gz YYDOENLZWACYOJ-FQEVSTJZSA-N 2 1 294.442 3.833 20 0 CHADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(F)c(-c3ccccc3)c2)C1 ZINC001236617763 1130985383 /nfs/dbraw/zinc/98/53/83/1130985383.db2.gz XJUZIRBVIASOES-IBGZPJMESA-N 2 1 298.405 3.663 20 0 CHADMP CC1=CC[C@H](CC[N@@H+](C2CCC2)C2CC[NH2+]CC2)C1(C)C ZINC001236633700 1130987354 /nfs/dbraw/zinc/98/73/54/1130987354.db2.gz KGZCIAIKFVRVGP-MRXNPFEDSA-N 2 1 290.495 3.975 20 0 CHADMP CCC[C@H](Cc1ccccc1)[N@@H+](CCC)C[C@@H]1CC[NH2+]C1 ZINC001236662491 1130990905 /nfs/dbraw/zinc/99/09/05/1130990905.db2.gz JURIWGRVLLWVRY-RTBURBONSA-N 2 1 288.479 3.719 20 0 CHADMP Cc1ccc(C[N@H+](C[C@H]2C[C@@H]2C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236713360 1130998076 /nfs/dbraw/zinc/99/80/76/1130998076.db2.gz APICUQTVFREQHD-NQYYFHDYSA-N 2 1 286.463 3.723 20 0 CHADMP Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000815576590 1131002015 /nfs/dbraw/zinc/00/20/15/1131002015.db2.gz UHMCHBRDCLGUTE-HOTGVXAUSA-N 2 1 292.442 3.905 20 0 CHADMP C[C@@H]1C[C@@H]1C[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236741296 1131003111 /nfs/dbraw/zinc/00/31/11/1131003111.db2.gz DHNQZHGIYBUUDF-MOIQIXESSA-N 2 1 290.426 3.554 20 0 CHADMP CC(C)(C)C[N@@H+](C[C@H]1C[C@H]2C=C[C@@H]1C2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236767927 1131004109 /nfs/dbraw/zinc/00/41/09/1131004109.db2.gz KNIWBSBMUOOXOO-PNKHAZJDSA-N 2 1 290.495 3.817 20 0 CHADMP C[C@@H]1C[C@H]1C[N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236755783 1131005473 /nfs/dbraw/zinc/00/54/73/1131005473.db2.gz PJMYNWKKOGZPQD-BZZMCLGOSA-N 2 1 278.484 3.795 20 0 CHADMP CCOC(C)(C)C[N@@H+](C(CC)CC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782832 1131006724 /nfs/dbraw/zinc/00/67/24/1131006724.db2.gz KPHWNIMCDSHXQA-KOMQPUFPSA-N 2 1 284.488 3.562 20 0 CHADMP CCC[N@@H+](CCCc1ccccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236827323 1131016772 /nfs/dbraw/zinc/01/67/72/1131016772.db2.gz FRXVGZVCBYKIAL-OAHLLOKOSA-N 2 1 294.870 3.594 20 0 CHADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C2CCC2)cc1 ZINC001237105932 1131050407 /nfs/dbraw/zinc/05/04/07/1131050407.db2.gz ABVYUUZWXSSYCK-UHFFFAOYSA-N 2 1 286.463 3.872 20 0 CHADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C2CCC2)cc1 ZINC001237105932 1131050413 /nfs/dbraw/zinc/05/04/13/1131050413.db2.gz ABVYUUZWXSSYCK-UHFFFAOYSA-N 2 1 286.463 3.872 20 0 CHADMP C[C@H]1CCC[C@@H](C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)C1 ZINC000798957148 1131065430 /nfs/dbraw/zinc/06/54/30/1131065430.db2.gz WMAUNCXMDHAANI-DLBZAZTESA-N 2 1 278.484 3.621 20 0 CHADMP C[N@@H+](Cc1cc2c(s1)C[NH2+]CC2)[C@@H]1CCc2ccccc21 ZINC001237258837 1131075560 /nfs/dbraw/zinc/07/55/60/1131075560.db2.gz PCZDQBLPBPGVKE-QGZVFWFLSA-N 2 1 298.455 3.513 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237382804 1131095349 /nfs/dbraw/zinc/09/53/49/1131095349.db2.gz NKTATMSKMZDKHQ-GRFNRIFCSA-N 2 1 278.484 3.977 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(C)c(C)cc2C)C1 ZINC001116289589 1131138337 /nfs/dbraw/zinc/13/83/37/1131138337.db2.gz XSDCRDUUEDDLFF-MSOLQXFVSA-N 2 1 288.479 3.994 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(Cl)s2)C1 ZINC001116293374 1131140134 /nfs/dbraw/zinc/14/01/34/1131140134.db2.gz PUJWOMUCFMILTC-NEPJUHHUSA-N 2 1 286.872 3.784 20 0 CHADMP c1[nH+]cn2c1cccc2C[NH+]1CCC(c2ccccc2)CC1 ZINC001238106647 1131171620 /nfs/dbraw/zinc/17/16/20/1131171620.db2.gz LWUCYXYHTCYOAG-UHFFFAOYSA-N 2 1 291.398 3.714 20 0 CHADMP c1ncn2c1cccc2C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001238114004 1131172420 /nfs/dbraw/zinc/17/24/20/1131172420.db2.gz PMKLPFVCQGXQDV-QGZVFWFLSA-N 2 1 291.398 3.714 20 0 CHADMP c1[nH+]cn2c1cccc2C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001238114004 1131172421 /nfs/dbraw/zinc/17/24/21/1131172421.db2.gz PMKLPFVCQGXQDV-QGZVFWFLSA-N 2 1 291.398 3.714 20 0 CHADMP c1[nH+]cn2c1cccc2C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001238114004 1131172423 /nfs/dbraw/zinc/17/24/23/1131172423.db2.gz PMKLPFVCQGXQDV-QGZVFWFLSA-N 2 1 291.398 3.714 20 0 CHADMP CC[C@H]1c2ccccc2CC[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238105772 1131172849 /nfs/dbraw/zinc/17/28/49/1131172849.db2.gz FIRBMVJNHMNHLA-IBGZPJMESA-N 2 1 291.398 3.844 20 0 CHADMP CC[C@H]1c2ccccc2CC[N@@H+]1Cc1cccc2c[nH+]cn21 ZINC001238105772 1131172853 /nfs/dbraw/zinc/17/28/53/1131172853.db2.gz FIRBMVJNHMNHLA-IBGZPJMESA-N 2 1 291.398 3.844 20 0 CHADMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1SC(C)(C)C ZINC000817936988 1131187945 /nfs/dbraw/zinc/18/79/45/1131187945.db2.gz STWGETQMPGIJLI-ZDUSSCGKSA-N 2 1 292.492 3.980 20 0 CHADMP Cc1ccc(Cl)c(C[N@H+](C)CC2CC[NH+](C)CC2)c1F ZINC001138034779 1131200082 /nfs/dbraw/zinc/20/00/82/1131200082.db2.gz SWPPHDRMAICEHW-UHFFFAOYSA-N 2 1 298.833 3.561 20 0 CHADMP Cc1ccc(Cl)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c1F ZINC001138034779 1131200087 /nfs/dbraw/zinc/20/00/87/1131200087.db2.gz SWPPHDRMAICEHW-UHFFFAOYSA-N 2 1 298.833 3.561 20 0 CHADMP Cc1c(Cl)ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1F ZINC001238519983 1131213786 /nfs/dbraw/zinc/21/37/86/1131213786.db2.gz WLIKEDQJDJNYDO-UHFFFAOYSA-N 2 1 298.833 3.561 20 0 CHADMP Cc1ccc(Cl)c(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC001238568885 1131218713 /nfs/dbraw/zinc/21/87/13/1131218713.db2.gz KRYCKDGBMQDYGE-UHFFFAOYSA-N 2 1 292.854 3.566 20 0 CHADMP COc1c(C)cc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC000818614657 1131218975 /nfs/dbraw/zinc/21/89/75/1131218975.db2.gz DMVIXTGLAXFGGX-KCPJHIHWSA-N 2 1 296.842 3.578 20 0 CHADMP CC[N@@H+](CCn1ccnc1)Cc1ccc(C(C)(C)C)cc1 ZINC001204399560 1131431134 /nfs/dbraw/zinc/43/11/34/1131431134.db2.gz RVMSPBFCEVMUSF-UHFFFAOYSA-N 2 1 285.435 3.703 20 0 CHADMP Cc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)c2ccccc12 ZINC001138013263 1131451137 /nfs/dbraw/zinc/45/11/37/1131451137.db2.gz KKPWLLCIBGSTQG-UHFFFAOYSA-N 2 1 282.431 3.674 20 0 CHADMP Cc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)c2ccccc12 ZINC001138013263 1131451140 /nfs/dbraw/zinc/45/11/40/1131451140.db2.gz KKPWLLCIBGSTQG-UHFFFAOYSA-N 2 1 282.431 3.674 20 0 CHADMP Cc1ccc(C[NH+]2CCC([NH+]3CCC3)CC2)c2ccccc12 ZINC001138017971 1131451540 /nfs/dbraw/zinc/45/15/40/1131451540.db2.gz CRLJSUXXEMVBEX-UHFFFAOYSA-N 2 1 294.442 3.818 20 0 CHADMP CC(C)C[C@H](Cc1ccccc1)[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC001246346811 1131481443 /nfs/dbraw/zinc/48/14/43/1131481443.db2.gz SJUKCVUVQTTYGJ-SJORKVTESA-N 2 1 276.468 3.607 20 0 CHADMP CCCC[N@H+](CC)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138543406 1131518250 /nfs/dbraw/zinc/51/82/50/1131518250.db2.gz NTVRVUPNXHGXGN-UHFFFAOYSA-N 2 1 271.408 3.803 20 0 CHADMP CCCC[N@@H+](CC)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138543406 1131518253 /nfs/dbraw/zinc/51/82/53/1131518253.db2.gz NTVRVUPNXHGXGN-UHFFFAOYSA-N 2 1 271.408 3.803 20 0 CHADMP CCCCC[C@H](CCC)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246548314 1131598590 /nfs/dbraw/zinc/59/85/90/1131598590.db2.gz FWBHIBYPKCXPAS-HOTGVXAUSA-N 2 1 254.462 3.939 20 0 CHADMP c1cn(-c2ccc(C[N@H+]3CC[C@H]4CCCC[C@@H]4C3)cc2)cn1 ZINC001139361480 1131604692 /nfs/dbraw/zinc/60/46/92/1131604692.db2.gz RHUWVIWYNPDGGK-QZTJIDSGSA-N 2 1 295.430 3.884 20 0 CHADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246550713 1131606205 /nfs/dbraw/zinc/60/62/05/1131606205.db2.gz JPRVPTHSRYTFIU-CJNGLKHVSA-N 2 1 296.455 3.510 20 0 CHADMP C[C@H]1CCCC[N@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246557876 1131620749 /nfs/dbraw/zinc/62/07/49/1131620749.db2.gz LQLASSOJHNABMA-JKSUJKDBSA-N 2 1 264.457 3.563 20 0 CHADMP CCCCC(CCCC)[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001246567278 1131635200 /nfs/dbraw/zinc/63/52/00/1131635200.db2.gz WXGKGZGIHYSACY-HUUCEWRRSA-N 2 1 254.462 3.795 20 0 CHADMP Cc1nccn1-c1ccccc1C[N@@H+](C)Cc1ccccc1 ZINC001140023840 1131656886 /nfs/dbraw/zinc/65/68/86/1131656886.db2.gz ZUJNPCHZYYCKDC-UHFFFAOYSA-N 2 1 291.398 3.813 20 0 CHADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)Cc1ccccc1 ZINC001140023840 1131656889 /nfs/dbraw/zinc/65/68/89/1131656889.db2.gz ZUJNPCHZYYCKDC-UHFFFAOYSA-N 2 1 291.398 3.813 20 0 CHADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)Cc1ccccc1 ZINC001140023840 1131656891 /nfs/dbraw/zinc/65/68/91/1131656891.db2.gz ZUJNPCHZYYCKDC-UHFFFAOYSA-N 2 1 291.398 3.813 20 0 CHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000845995282 1131679416 /nfs/dbraw/zinc/67/94/16/1131679416.db2.gz BMOCAFIKZNLJQQ-KBPBESRZSA-N 2 1 294.405 3.675 20 0 CHADMP CC(C)=CCC[C@H](C)[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246587190 1131698979 /nfs/dbraw/zinc/69/89/79/1131698979.db2.gz VVYINIGLBMKZKG-HOTGVXAUSA-N 2 1 252.446 3.572 20 0 CHADMP C[C@H]1C[N@@H+](CCCCCC[NH3+])CC[C@@H]1c1ccccc1 ZINC000846219088 1131700992 /nfs/dbraw/zinc/70/09/92/1131700992.db2.gz FYUGMLWUAOQQKC-WMZOPIPTSA-N 2 1 274.452 3.631 20 0 CHADMP Cc1ccc([C@H]2CSCC[N@H+]2CCCCCC[NH3+])cc1 ZINC000846219322 1131701875 /nfs/dbraw/zinc/70/18/75/1131701875.db2.gz OHBSPFXHGGWLKS-QGZVFWFLSA-N 2 1 292.492 3.604 20 0 CHADMP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC001203034967 1131723679 /nfs/dbraw/zinc/72/36/79/1131723679.db2.gz LJVDEONSHWWQQH-UHFFFAOYSA-N 2 1 298.474 3.626 20 0 CHADMP CCCCCC[C@@H](C)[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246636700 1131748058 /nfs/dbraw/zinc/74/80/58/1131748058.db2.gz WFRLQZKUYLSKFZ-SJORKVTESA-N 2 1 266.473 3.953 20 0 CHADMP CCCCCC[C@H](C)[N@H+]1CCCC12CC[NH2+]CC2 ZINC001246653310 1131777156 /nfs/dbraw/zinc/77/71/56/1131777156.db2.gz MCZCUNIKHBIZAI-HNNXBMFYSA-N 2 1 252.446 3.563 20 0 CHADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([N@@H+](C)C(C)(C)C)CC[NH2+]1 ZINC001246770088 1131781068 /nfs/dbraw/zinc/78/10/68/1131781068.db2.gz NMFAZRQPGAKSIB-GOEBONIOSA-N 2 1 278.415 3.658 20 0 CHADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([N@H+](C)C(C)(C)C)CC[NH2+]1 ZINC001246770088 1131781076 /nfs/dbraw/zinc/78/10/76/1131781076.db2.gz NMFAZRQPGAKSIB-GOEBONIOSA-N 2 1 278.415 3.658 20 0 CHADMP CCCC[C@H](CC(C)C)[N@H+]1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001246689311 1131781693 /nfs/dbraw/zinc/78/16/93/1131781693.db2.gz INTDLKHXRBRWHH-XHSDSOJGSA-N 2 1 284.463 3.600 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@H+]1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001246687058 1131782246 /nfs/dbraw/zinc/78/22/46/1131782246.db2.gz CXOZSLRDWOYION-VGWMRTNUSA-N 2 1 284.463 3.600 20 0 CHADMP C[N@@H+](CC1CCCCC1)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246845157 1131788747 /nfs/dbraw/zinc/78/87/47/1131788747.db2.gz JHBSQJUEXVCGFT-UHFFFAOYSA-N 2 1 278.484 3.811 20 0 CHADMP CCCC[C@H]1C[C@@H]([N@@H+](C)CC2CCCCC2)CC[NH2+]1 ZINC001246843476 1131789760 /nfs/dbraw/zinc/78/97/60/1131789760.db2.gz CPGDQZZKGHKDLV-IRXDYDNUSA-N 2 1 266.473 3.809 20 0 CHADMP C[NH2+]CC[C@H](C)[N@@H+](C)C1CCC(C(C)(C)C)CC1 ZINC001246852741 1131789809 /nfs/dbraw/zinc/78/98/09/1131789809.db2.gz GBVJUHBTTYIKOY-NFOMZHRRSA-N 2 1 254.462 3.521 20 0 CHADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC001171309770 1131824049 /nfs/dbraw/zinc/82/40/49/1131824049.db2.gz ZQLRGECSWCSUNA-HRCADAONSA-N 2 1 283.419 3.657 20 0 CHADMP C1CCC2(C1)CCC([N@@H+]1CC[C@H]3[NH2+]CCC[C@@H]3C1)CC2 ZINC001247016799 1131841883 /nfs/dbraw/zinc/84/18/83/1131841883.db2.gz XXQHHQWWFRNTQT-NVXWUHKLSA-N 2 1 276.468 3.563 20 0 CHADMP C1CCC2(C1)CCC([N@H+]1CC[C@H]3[NH2+]CCC[C@@H]3C1)CC2 ZINC001247016799 1131841889 /nfs/dbraw/zinc/84/18/89/1131841889.db2.gz XXQHHQWWFRNTQT-NVXWUHKLSA-N 2 1 276.468 3.563 20 0 CHADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCCC2(CCC2)C1 ZINC000348177745 1131899428 /nfs/dbraw/zinc/89/94/28/1131899428.db2.gz HHSPPUMGXPJVFF-UHFFFAOYSA-N 2 1 295.430 3.947 20 0 CHADMP c1[nH]c2ccncc2c1C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC001140805216 1131927992 /nfs/dbraw/zinc/92/79/92/1131927992.db2.gz WSLWENSPCVSLII-HNNXBMFYSA-N 2 1 283.419 3.965 20 0 CHADMP c1nc2cc[nH]cc-2c1C[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC001140805216 1131927998 /nfs/dbraw/zinc/92/79/98/1131927998.db2.gz WSLWENSPCVSLII-HNNXBMFYSA-N 2 1 283.419 3.965 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC001140805216 1131928003 /nfs/dbraw/zinc/92/80/03/1131928003.db2.gz WSLWENSPCVSLII-HNNXBMFYSA-N 2 1 283.419 3.965 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC001140805216 1131928010 /nfs/dbraw/zinc/92/80/10/1131928010.db2.gz WSLWENSPCVSLII-HNNXBMFYSA-N 2 1 283.419 3.965 20 0 CHADMP COc1ccc([C@H](C)[N@H+](C)Cc2c[nH]c3cc[nH+]cc23)cc1 ZINC001140804838 1131930598 /nfs/dbraw/zinc/93/05/98/1131930598.db2.gz HKQLOLOIMKUJGG-ZDUSSCGKSA-N 2 1 295.386 3.765 20 0 CHADMP COc1ccc([C@H](C)[N@@H+](C)Cc2c[nH]c3cc[nH+]cc23)cc1 ZINC001140804838 1131930604 /nfs/dbraw/zinc/93/06/04/1131930604.db2.gz HKQLOLOIMKUJGG-ZDUSSCGKSA-N 2 1 295.386 3.765 20 0 CHADMP CC[N@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1cccc(F)c1 ZINC001140804842 1131931052 /nfs/dbraw/zinc/93/10/52/1131931052.db2.gz HTNWNUOQKCGSMF-UHFFFAOYSA-N 2 1 283.350 3.724 20 0 CHADMP CC[N@@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1cccc(F)c1 ZINC001140804842 1131931058 /nfs/dbraw/zinc/93/10/58/1131931058.db2.gz HTNWNUOQKCGSMF-UHFFFAOYSA-N 2 1 283.350 3.724 20 0 CHADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000037149912 1132002132 /nfs/dbraw/zinc/00/21/32/1132002132.db2.gz IBDONKXKRLXDHR-UHFFFAOYSA-N 2 1 280.843 3.694 20 0 CHADMP CC[NH+]1CCC([N@H+](C)Cc2cccc(C(C)(C)C)c2)CC1 ZINC001141104198 1132017524 /nfs/dbraw/zinc/01/75/24/1132017524.db2.gz UOFBFPOXZNGKBP-UHFFFAOYSA-N 2 1 288.479 3.900 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc(C(C)(C)C)c2)CC1 ZINC001141104198 1132017531 /nfs/dbraw/zinc/01/75/31/1132017531.db2.gz UOFBFPOXZNGKBP-UHFFFAOYSA-N 2 1 288.479 3.900 20 0 CHADMP C[N@H+]1CC[C@@]2(CCN(Cc3cccc(C(C)(C)C)c3)C2)C1 ZINC001141106303 1132019684 /nfs/dbraw/zinc/01/96/84/1132019684.db2.gz WTQOWRKVURYETJ-LJQANCHMSA-N 2 1 286.463 3.512 20 0 CHADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc(C(C)(C)C)c3)C2)C1 ZINC001141106303 1132019691 /nfs/dbraw/zinc/01/96/91/1132019691.db2.gz WTQOWRKVURYETJ-LJQANCHMSA-N 2 1 286.463 3.512 20 0 CHADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc(C(C)(C)C)c3)C2)C1 ZINC001141106303 1132019698 /nfs/dbraw/zinc/01/96/98/1132019698.db2.gz WTQOWRKVURYETJ-LJQANCHMSA-N 2 1 286.463 3.512 20 0 CHADMP Cc1cccc2c1CC[C@@H]([NH2+]CC[NH+](C(C)C)C(C)C)C2 ZINC001171550225 1132051219 /nfs/dbraw/zinc/05/12/19/1132051219.db2.gz SNDIXFOTWJWUBE-GOSISDBHSA-N 2 1 288.479 3.561 20 0 CHADMP COCC[C@H]1CCCC[N@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171637465 1132081765 /nfs/dbraw/zinc/08/17/65/1132081765.db2.gz OKIPPXWZBQSOSB-OAHLLOKOSA-N 2 1 296.499 3.529 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@H](c1ccccc1F)C(C)C ZINC001171827287 1132100062 /nfs/dbraw/zinc/10/00/62/1132100062.db2.gz LFDPSJIKTMRMHL-KRWDZBQOSA-N 2 1 280.431 3.844 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)s2)C1 ZINC000121814096 1132111583 /nfs/dbraw/zinc/11/15/83/1132111583.db2.gz PUJWOMUCFMILTC-NWDGAFQWSA-N 2 1 286.872 3.784 20 0 CHADMP CC1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171966743 1132112582 /nfs/dbraw/zinc/11/25/82/1132112582.db2.gz WJXMAVKVSLTVDT-MRXNPFEDSA-N 2 1 272.436 3.572 20 0 CHADMP CC1(C)C[C@H](n2cccc2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001171967541 1132112871 /nfs/dbraw/zinc/11/28/71/1132112871.db2.gz ARGXROXGTKKKMP-QGZVFWFLSA-N 2 1 297.446 3.563 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206153245 1132117330 /nfs/dbraw/zinc/11/73/30/1132117330.db2.gz CJEWAYISRCDOKD-JNXQLMTMSA-N 2 1 270.436 3.664 20 0 CHADMP CC/C=C\CCCCCC[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206153245 1132117339 /nfs/dbraw/zinc/11/73/39/1132117339.db2.gz CJEWAYISRCDOKD-JNXQLMTMSA-N 2 1 270.436 3.664 20 0 CHADMP C[N@H+](C1CC1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976425 1132117571 /nfs/dbraw/zinc/11/75/71/1132117571.db2.gz LCYFLIQPMXEXNH-QGZVFWFLSA-N 2 1 272.436 3.524 20 0 CHADMP C[N@@H+](C1CC1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976425 1132117574 /nfs/dbraw/zinc/11/75/74/1132117574.db2.gz LCYFLIQPMXEXNH-QGZVFWFLSA-N 2 1 272.436 3.524 20 0 CHADMP C[NH+](C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976425 1132117577 /nfs/dbraw/zinc/11/75/77/1132117577.db2.gz LCYFLIQPMXEXNH-QGZVFWFLSA-N 2 1 272.436 3.524 20 0 CHADMP C[NH+](C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976425 1132117581 /nfs/dbraw/zinc/11/75/81/1132117581.db2.gz LCYFLIQPMXEXNH-QGZVFWFLSA-N 2 1 272.436 3.524 20 0 CHADMP CC[N@H+](Cc1cccc(F)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127418 1132125375 /nfs/dbraw/zinc/12/53/75/1132125375.db2.gz JDROVZMUFGNOJE-PIIMJCKOSA-N 2 1 290.426 3.663 20 0 CHADMP CC[N@@H+](Cc1cccc(F)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127418 1132125379 /nfs/dbraw/zinc/12/53/79/1132125379.db2.gz JDROVZMUFGNOJE-PIIMJCKOSA-N 2 1 290.426 3.663 20 0 CHADMP CC[NH+](Cc1cccc(F)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172127418 1132125384 /nfs/dbraw/zinc/12/53/84/1132125384.db2.gz JDROVZMUFGNOJE-PIIMJCKOSA-N 2 1 290.426 3.663 20 0 CHADMP CC[NH+](Cc1cccc(F)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172127418 1132125387 /nfs/dbraw/zinc/12/53/87/1132125387.db2.gz JDROVZMUFGNOJE-PIIMJCKOSA-N 2 1 290.426 3.663 20 0 CHADMP Cc1ccc(CCC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)s1 ZINC001172099297 1132125880 /nfs/dbraw/zinc/12/58/80/1132125880.db2.gz JFARZQFNQKZMEN-MUJYYYPQSA-N 2 1 292.492 3.594 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]CC2CCC2)C3)cc1 ZINC001172069531 1132126289 /nfs/dbraw/zinc/12/62/89/1132126289.db2.gz UUIRLOCVUNEGTH-OWZKRDHZSA-N 2 1 298.474 3.962 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1Cc3cccc(Cl)c3C1)C2 ZINC001172127970 1132127212 /nfs/dbraw/zinc/12/72/12/1132127212.db2.gz MKSSUFKQJVUMFJ-FICVDOATSA-N 2 1 290.838 3.671 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1Cc3cccc(Cl)c3C1)C2 ZINC001172127970 1132127217 /nfs/dbraw/zinc/12/72/17/1132127217.db2.gz MKSSUFKQJVUMFJ-FICVDOATSA-N 2 1 290.838 3.671 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1Cc3cccc(Cl)c3C1)C2 ZINC001172127970 1132127220 /nfs/dbraw/zinc/12/72/20/1132127220.db2.gz MKSSUFKQJVUMFJ-FICVDOATSA-N 2 1 290.838 3.671 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1Cc3cccc(Cl)c3C1)C2 ZINC001172127970 1132127224 /nfs/dbraw/zinc/12/72/24/1132127224.db2.gz MKSSUFKQJVUMFJ-FICVDOATSA-N 2 1 290.838 3.671 20 0 CHADMP CCCC[C@H](CC)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172107530 1132129139 /nfs/dbraw/zinc/12/91/39/1132129139.db2.gz ZFGRKRWNWIYMQF-NXOAAHMSSA-N 2 1 266.473 3.808 20 0 CHADMP CCCCCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172105810 1132130078 /nfs/dbraw/zinc/13/00/78/1132130078.db2.gz KRRIDPYFDRGVAW-VQHPVUNQSA-N 2 1 266.473 3.950 20 0 CHADMP CCCCCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172105810 1132130081 /nfs/dbraw/zinc/13/00/81/1132130081.db2.gz KRRIDPYFDRGVAW-VQHPVUNQSA-N 2 1 266.473 3.950 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1coc3ccccc13)C2 ZINC001172104944 1132130546 /nfs/dbraw/zinc/13/05/46/1132130546.db2.gz FCWJKQCGJLOTPQ-BJWYYQGGSA-N 2 1 298.430 3.580 20 0 CHADMP CCCc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172106253 1132130939 /nfs/dbraw/zinc/13/09/39/1132130939.db2.gz OEKRFSXHSTZHPD-LDLYASANSA-N 2 1 286.463 3.744 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(C)c1 ZINC001172111060 1132131477 /nfs/dbraw/zinc/13/14/77/1132131477.db2.gz QAIPJTKUGXBJGW-XLAORIBOSA-N 2 1 286.463 3.969 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC001172111060 1132131483 /nfs/dbraw/zinc/13/14/83/1132131483.db2.gz QAIPJTKUGXBJGW-XLAORIBOSA-N 2 1 286.463 3.969 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCC1CCCCC1)C2 ZINC001172112857 1132132031 /nfs/dbraw/zinc/13/20/31/1132132031.db2.gz AQSJXVASVBRAHX-NNZMDNLPSA-N 2 1 278.484 3.952 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)c1cccc(F)c1)C2 ZINC001172111279 1132132122 /nfs/dbraw/zinc/13/21/22/1132132122.db2.gz RGCQMCNJCITBFC-BJWYYQGGSA-N 2 1 290.426 3.666 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)c1cccc(F)c1)C2 ZINC001172111279 1132132125 /nfs/dbraw/zinc/13/21/25/1132132125.db2.gz RGCQMCNJCITBFC-BJWYYQGGSA-N 2 1 290.426 3.666 20 0 CHADMP C[C@H]1c2ccccc2CC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172112783 1132132323 /nfs/dbraw/zinc/13/23/23/1132132323.db2.gz FFEHOFPATCVAMV-OWLYRPNTSA-N 2 1 284.447 3.621 20 0 CHADMP C[C@H]1c2ccccc2CC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172112783 1132132327 /nfs/dbraw/zinc/13/23/27/1132132327.db2.gz FFEHOFPATCVAMV-OWLYRPNTSA-N 2 1 284.447 3.621 20 0 CHADMP C[C@H]1c2ccccc2CC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112783 1132132330 /nfs/dbraw/zinc/13/23/30/1132132330.db2.gz FFEHOFPATCVAMV-OWLYRPNTSA-N 2 1 284.447 3.621 20 0 CHADMP Cc1cc([C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1F ZINC001172119446 1132132926 /nfs/dbraw/zinc/13/29/26/1132132926.db2.gz ZVYNTILIBMFXSH-MXASKKJJSA-N 2 1 290.426 3.800 20 0 CHADMP Cc1cc([C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1F ZINC001172119446 1132132930 /nfs/dbraw/zinc/13/29/30/1132132930.db2.gz ZVYNTILIBMFXSH-MXASKKJJSA-N 2 1 290.426 3.800 20 0 CHADMP Cc1ccccc1C(C)(C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172112690 1132134412 /nfs/dbraw/zinc/13/44/12/1132134412.db2.gz ZKMHUXUDUCHQKB-BJWYYQGGSA-N 2 1 286.463 3.835 20 0 CHADMP Cc1ccccc1C(C)(C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112690 1132134414 /nfs/dbraw/zinc/13/44/14/1132134414.db2.gz ZKMHUXUDUCHQKB-BJWYYQGGSA-N 2 1 286.463 3.835 20 0 CHADMP CC[C@H](C)OCC[C@H](C)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172327940 1132171489 /nfs/dbraw/zinc/17/14/89/1132171489.db2.gz FYWZBEYFTPHRRS-OVWQWFNUSA-N 2 1 296.499 3.705 20 0 CHADMP CCCCCC[C@H](CCC)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001172386987 1132211303 /nfs/dbraw/zinc/21/13/03/1132211303.db2.gz OGAPMWXDRLOIGU-BBWFWOEESA-N 2 1 266.473 3.619 20 0 CHADMP CCCCCC[C@H](CCC)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001172386987 1132211311 /nfs/dbraw/zinc/21/13/11/1132211311.db2.gz OGAPMWXDRLOIGU-BBWFWOEESA-N 2 1 266.473 3.619 20 0 CHADMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172548312 1132280935 /nfs/dbraw/zinc/28/09/35/1132280935.db2.gz CBIQNDSYFHPQDJ-AABGKKOBSA-N 2 1 298.474 3.740 20 0 CHADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172548312 1132280944 /nfs/dbraw/zinc/28/09/44/1132280944.db2.gz CBIQNDSYFHPQDJ-AABGKKOBSA-N 2 1 298.474 3.740 20 0 CHADMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172548312 1132280950 /nfs/dbraw/zinc/28/09/50/1132280950.db2.gz CBIQNDSYFHPQDJ-AABGKKOBSA-N 2 1 298.474 3.740 20 0 CHADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000840810047 1132291192 /nfs/dbraw/zinc/29/11/92/1132291192.db2.gz NVSWZOPAMOMHIN-CABCVRRESA-N 2 1 278.415 3.517 20 0 CHADMP C[N@H+](Cc1cccc(-c2ccccc2)c1)C1CC[NH+](C)CC1 ZINC001231507385 1132308546 /nfs/dbraw/zinc/30/85/46/1132308546.db2.gz AJITVFZQGFRGKH-UHFFFAOYSA-N 2 1 294.442 3.880 20 0 CHADMP C[N@@H+](Cc1cccc(-c2ccccc2)c1)C1CC[NH+](C)CC1 ZINC001231507385 1132308550 /nfs/dbraw/zinc/30/85/50/1132308550.db2.gz AJITVFZQGFRGKH-UHFFFAOYSA-N 2 1 294.442 3.880 20 0 CHADMP CCC[N@@H+](CCC[NH3+])C1CCC(Cc2ccccc2)CC1 ZINC001172818869 1132317450 /nfs/dbraw/zinc/31/74/50/1132317450.db2.gz VQLYJJWIACTLOQ-UHFFFAOYSA-N 2 1 288.479 3.849 20 0 CHADMP CCCc1ccc(CN2CCC([N@@H+](C)C3CC3)CC2)cc1 ZINC001142366986 1132374327 /nfs/dbraw/zinc/37/43/27/1132374327.db2.gz AODZRBFQVXJQQK-UHFFFAOYSA-N 2 1 286.463 3.698 20 0 CHADMP CC(C)c1ccccc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001231877791 1132387510 /nfs/dbraw/zinc/38/75/10/1132387510.db2.gz VIFZBMAQYJNRIF-UHFFFAOYSA-N 2 1 286.463 3.728 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1C(C)C ZINC001231878820 1132392239 /nfs/dbraw/zinc/39/22/39/1132392239.db2.gz VZKQIRRQCCSEFX-UHFFFAOYSA-N 2 1 262.441 3.584 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@@H]2C)CC1 ZINC001173108234 1132392734 /nfs/dbraw/zinc/39/27/34/1132392734.db2.gz GYXDAQVHHXCLHS-FHERZECASA-N 2 1 252.446 3.514 20 0 CHADMP C[N@H+]1CCC[C@H]([NH2+]C2CCC3(CCCCC3)CC2)CC1 ZINC001173114908 1132393549 /nfs/dbraw/zinc/39/35/49/1132393549.db2.gz LHKLPEQXXYMDMU-INIZCTEOSA-N 2 1 278.484 3.953 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H]3CCC[C@H]3C2)CC1 ZINC001173110518 1132393637 /nfs/dbraw/zinc/39/36/37/1132393637.db2.gz UXUYAEDSJUHSST-VYMRPNJYSA-N 2 1 278.484 3.761 20 0 CHADMP CC[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1ccc(F)cc1 ZINC001232015060 1132410168 /nfs/dbraw/zinc/41/01/68/1132410168.db2.gz ABSWQZPZSYXFNW-UHFFFAOYSA-N 2 1 283.350 3.724 20 0 CHADMP CCC[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1ccccc1 ZINC001232014455 1132410488 /nfs/dbraw/zinc/41/04/88/1132410488.db2.gz IPGGGKDXEHEDTG-UHFFFAOYSA-N 2 1 279.387 3.975 20 0 CHADMP Cc1ccc([C@H]2CCC[N@H+]2Cc2cc3c[nH+]ccc3[nH]2)cn1 ZINC001232015416 1132410910 /nfs/dbraw/zinc/41/09/10/1132410910.db2.gz HKTWJYXSNAOELM-GOSISDBHSA-N 2 1 292.386 3.603 20 0 CHADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CCCC2(CCCC2)C1 ZINC001232012459 1132411513 /nfs/dbraw/zinc/41/15/13/1132411513.db2.gz JAEJOTCQOJMPCJ-UHFFFAOYSA-N 2 1 269.392 3.719 20 0 CHADMP Cc1ccccc1C[N@@H+](C)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232015338 1132411748 /nfs/dbraw/zinc/41/17/48/1132411748.db2.gz VVSHIKXCKIGJNW-UHFFFAOYSA-N 2 1 265.360 3.503 20 0 CHADMP CC[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1ccc(C)cc1 ZINC001232017018 1132413455 /nfs/dbraw/zinc/41/34/55/1132413455.db2.gz JRZVPFHZHJWAGK-UHFFFAOYSA-N 2 1 279.387 3.893 20 0 CHADMP C[C@@H](CC(c1ccccc1)c1ccccc1)[NH2+]C(C)(C)C[NH3+] ZINC001173205898 1132415285 /nfs/dbraw/zinc/41/52/85/1132415285.db2.gz ROMTYCFGHPWFOG-INIZCTEOSA-N 2 1 296.458 3.924 20 0 CHADMP CC[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001173275533 1132418970 /nfs/dbraw/zinc/41/89/70/1132418970.db2.gz SGWLQPCYNNHIPW-ARFHVFGLSA-N 2 1 264.457 3.562 20 0 CHADMP CC[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001173275533 1132418972 /nfs/dbraw/zinc/41/89/72/1132418972.db2.gz SGWLQPCYNNHIPW-ARFHVFGLSA-N 2 1 264.457 3.562 20 0 CHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+](C)C2CCCCC2)c1 ZINC001232143861 1132428193 /nfs/dbraw/zinc/42/81/93/1132428193.db2.gz IUCFWBCGABRVQX-UHFFFAOYSA-N 2 1 278.415 3.652 20 0 CHADMP Cc1cc(C)c([C@@H](C)[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)c(C)c1 ZINC000842478042 1132432941 /nfs/dbraw/zinc/43/29/41/1132432941.db2.gz KOQVNIHQUBSMTC-AEFFLSMTSA-N 2 1 272.436 3.501 20 0 CHADMP Cc1cc(C)c([C@@H](C)[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)c(C)c1 ZINC000842478042 1132432945 /nfs/dbraw/zinc/43/29/45/1132432945.db2.gz KOQVNIHQUBSMTC-AEFFLSMTSA-N 2 1 272.436 3.501 20 0 CHADMP CC[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)C1 ZINC001173271047 1132436671 /nfs/dbraw/zinc/43/66/71/1132436671.db2.gz PCOVYKUVVYBWJW-CABCVRRESA-N 2 1 290.426 3.654 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001173349786 1132474519 /nfs/dbraw/zinc/47/45/19/1132474519.db2.gz UKWXUEAQWNYKAL-IRXDYDNUSA-N 2 1 278.484 3.953 20 0 CHADMP C[N@H+](Cc1ccc2ccsc2c1)CC1CC[NH+](C)CC1 ZINC001232612764 1132493524 /nfs/dbraw/zinc/49/35/24/1132493524.db2.gz OBEYEFCFMIDIBC-UHFFFAOYSA-N 2 1 288.460 3.675 20 0 CHADMP Cc1ccc2c(C)cc(N[C@H]3CCC[C@@H]([NH3+])C3)[nH+]c2c1C ZINC001154988117 1132635230 /nfs/dbraw/zinc/63/52/30/1132635230.db2.gz OJFVXMUECPYTLE-CABCVRRESA-N 2 1 283.419 3.842 20 0 CHADMP Cc1ccc2cc[nH+]c(NC(C)(C)CC[NH+](C)C)c2c1 ZINC001158757387 1132792274 /nfs/dbraw/zinc/79/22/74/1132792274.db2.gz MTLHUGIVWMEOMF-UHFFFAOYSA-N 2 1 271.408 3.685 20 0 CHADMP CC[NH+](CC)c1ccc(Nc2cccc(OCC[NH3+])c2)cc1 ZINC001159427124 1132841921 /nfs/dbraw/zinc/84/19/21/1132841921.db2.gz QHGMERSIOBRISL-UHFFFAOYSA-N 2 1 299.418 3.614 20 0 CHADMP c1cc2c(c(Nc3ccc4c[nH+]ccc4c3)c1)CC[NH2+]C2 ZINC001159448493 1132847651 /nfs/dbraw/zinc/84/76/51/1132847651.db2.gz XMHYCDYBHKHORS-UHFFFAOYSA-N 2 1 275.355 3.624 20 0 CHADMP Cc1cccc2cc[nH+]c(N[C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)c12 ZINC001160475702 1132971538 /nfs/dbraw/zinc/97/15/38/1132971538.db2.gz IXRHBDZLUMKDIN-OSYLJGHBSA-N 2 1 295.430 3.970 20 0 CHADMP Cc1cccc2cc[nH+]c(N[C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)c12 ZINC001160475702 1132971541 /nfs/dbraw/zinc/97/15/41/1132971541.db2.gz IXRHBDZLUMKDIN-OSYLJGHBSA-N 2 1 295.430 3.970 20 0 CHADMP Cc1cc[nH+]c2cc(NC[C@@H]3CCC[NH2+]C[C@H]3C)ccc12 ZINC001162465198 1133079841 /nfs/dbraw/zinc/07/98/41/1133079841.db2.gz DOXIGYPUMLMTCN-CABCVRRESA-N 2 1 283.419 3.591 20 0 CHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2Cl)CC1 ZINC001203382383 1133263796 /nfs/dbraw/zinc/26/37/96/1133263796.db2.gz XRFXOWZHMIRNRV-UHFFFAOYSA-N 2 1 294.870 3.892 20 0 CHADMP Cc1cccc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c1 ZINC001203891872 1133381367 /nfs/dbraw/zinc/38/13/67/1133381367.db2.gz LZOPMFKOCASEIV-UHFFFAOYSA-N 2 1 274.452 3.547 20 0 CHADMP C[N@@H+](C1CC1)C1CCN(Cc2cccc3ccccc32)CC1 ZINC001203983298 1133393133 /nfs/dbraw/zinc/39/31/33/1133393133.db2.gz SIIKKGWUVJJVLX-UHFFFAOYSA-N 2 1 294.442 3.898 20 0 CHADMP C[N@H+](C1CC1)C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001203983298 1133393138 /nfs/dbraw/zinc/39/31/38/1133393138.db2.gz SIIKKGWUVJJVLX-UHFFFAOYSA-N 2 1 294.442 3.898 20 0 CHADMP C[N@@H+](C1CC1)C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001203983298 1133393142 /nfs/dbraw/zinc/39/31/42/1133393142.db2.gz SIIKKGWUVJJVLX-UHFFFAOYSA-N 2 1 294.442 3.898 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccs1 ZINC001204015419 1133398789 /nfs/dbraw/zinc/39/87/89/1133398789.db2.gz AVKROKPBBIPTNB-GJZGRUSLSA-N 2 1 278.465 3.587 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cccs1 ZINC001204015419 1133398796 /nfs/dbraw/zinc/39/87/96/1133398796.db2.gz AVKROKPBBIPTNB-GJZGRUSLSA-N 2 1 278.465 3.587 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cccs1 ZINC001204015419 1133398803 /nfs/dbraw/zinc/39/88/03/1133398803.db2.gz AVKROKPBBIPTNB-GJZGRUSLSA-N 2 1 278.465 3.587 20 0 CHADMP CC(C)c1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC001204166494 1133413315 /nfs/dbraw/zinc/41/33/15/1133413315.db2.gz WCMZIKBOVYLPRR-UHFFFAOYSA-N 2 1 274.452 3.728 20 0 CHADMP CC(C)c1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC001204166494 1133413317 /nfs/dbraw/zinc/41/33/17/1133413317.db2.gz WCMZIKBOVYLPRR-UHFFFAOYSA-N 2 1 274.452 3.728 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(C)cc2)CC1 ZINC001204175103 1133415469 /nfs/dbraw/zinc/41/54/69/1133415469.db2.gz NZTGUEUPHLJQBG-UHFFFAOYSA-N 2 1 274.452 3.691 20 0 CHADMP Cc1[nH]c2ccccc2c1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001204286395 1133428200 /nfs/dbraw/zinc/42/82/00/1133428200.db2.gz IZZOKBGNTUXWTK-UHFFFAOYSA-N 2 1 297.446 3.537 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccccc1-c1ccccc1 ZINC001205075446 1133523566 /nfs/dbraw/zinc/52/35/66/1133523566.db2.gz KLYZTSZFSKFXRN-YJBOKZPZSA-N 2 1 280.415 3.665 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccccc1-c1ccccc1 ZINC001205075446 1133523572 /nfs/dbraw/zinc/52/35/72/1133523572.db2.gz KLYZTSZFSKFXRN-YJBOKZPZSA-N 2 1 280.415 3.665 20 0 CHADMP C[C@H]1C[N@@H+](Cc2cccc(Oc3ccccc3)c2)C[C@H]1C[NH3+] ZINC001205130878 1133533998 /nfs/dbraw/zinc/53/39/98/1133533998.db2.gz NLBNKXFJRCRVAI-DOTOQJQBSA-N 2 1 296.414 3.506 20 0 CHADMP C[C@H]1c2ccccc2CC[N@@H+]1Cc1cc2c(s1)C[NH2+]CC2 ZINC001205164632 1133539531 /nfs/dbraw/zinc/53/95/31/1133539531.db2.gz JXQQRCPLUQCDEL-ZDUSSCGKSA-N 2 1 298.455 3.513 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205281320 1133555039 /nfs/dbraw/zinc/55/50/39/1133555039.db2.gz SGNDIGGPTYVWCD-LJQANCHMSA-N 2 1 282.431 3.852 20 0 CHADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc2oc3ccccc3c2c1 ZINC001205324396 1133561393 /nfs/dbraw/zinc/56/13/93/1133561393.db2.gz AIXIQXBKTRGVLK-AWEZNQCLSA-N 2 1 294.398 3.770 20 0 CHADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc2oc3ccccc3c2c1 ZINC001205324396 1133561395 /nfs/dbraw/zinc/56/13/95/1133561395.db2.gz AIXIQXBKTRGVLK-AWEZNQCLSA-N 2 1 294.398 3.770 20 0 CHADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1cccc(-c2ccccc2)c1 ZINC001205332334 1133563473 /nfs/dbraw/zinc/56/34/73/1133563473.db2.gz OVUKESXJCXULCD-INIZCTEOSA-N 2 1 280.415 3.537 20 0 CHADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1cccc(-c2ccccc2)c1 ZINC001205332334 1133563475 /nfs/dbraw/zinc/56/34/75/1133563475.db2.gz OVUKESXJCXULCD-INIZCTEOSA-N 2 1 280.415 3.537 20 0 CHADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1cccc(-c2ccccc2)c1 ZINC001205332335 1133563962 /nfs/dbraw/zinc/56/39/62/1133563962.db2.gz OVUKESXJCXULCD-MRXNPFEDSA-N 2 1 280.415 3.537 20 0 CHADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1cccc(-c2ccccc2)c1 ZINC001205332335 1133563963 /nfs/dbraw/zinc/56/39/63/1133563963.db2.gz OVUKESXJCXULCD-MRXNPFEDSA-N 2 1 280.415 3.537 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)s1 ZINC001205559989 1133588634 /nfs/dbraw/zinc/58/86/34/1133588634.db2.gz XSVNIGABFHGOGW-INIZCTEOSA-N 2 1 298.471 3.744 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2)CC[C@@H]1C[NH3+] ZINC001205626541 1133595973 /nfs/dbraw/zinc/59/59/73/1133595973.db2.gz HBIDPKJDOMBLMP-NVXWUHKLSA-N 2 1 288.479 3.791 20 0 CHADMP Cc1cc(F)cc(Cl)c1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205652102 1133599939 /nfs/dbraw/zinc/59/99/39/1133599939.db2.gz ODWZMGNCKQICOH-AAEUAGOBSA-N 2 1 298.833 3.594 20 0 CHADMP CC(C)C1CCC(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC001205702709 1133603612 /nfs/dbraw/zinc/60/36/12/1133603612.db2.gz MMXOGBFTEGRAGH-GMNCBBECSA-N 2 1 292.511 3.865 20 0 CHADMP CC(C)C1CCC(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC001205702709 1133603613 /nfs/dbraw/zinc/60/36/13/1133603613.db2.gz MMXOGBFTEGRAGH-GMNCBBECSA-N 2 1 292.511 3.865 20 0 CHADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](c3ccccc3)C2)CC1 ZINC001205908011 1133628734 /nfs/dbraw/zinc/62/87/34/1133628734.db2.gz NVOFOESEMOUEPP-IBGZPJMESA-N 2 1 286.463 3.598 20 0 CHADMP CC(C)C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC001205923090 1133631605 /nfs/dbraw/zinc/63/16/05/1133631605.db2.gz IJQOKQNCXRNYLE-QGZVFWFLSA-N 2 1 274.452 3.534 20 0 CHADMP [NH3+][C@@H]1CCCC[N@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001205931345 1133632279 /nfs/dbraw/zinc/63/22/79/1133632279.db2.gz JDKOVZGNIVOMPB-LJQANCHMSA-N 2 1 298.405 3.806 20 0 CHADMP [NH3+][C@@H]1CCCC[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001205931345 1133632282 /nfs/dbraw/zinc/63/22/82/1133632282.db2.gz JDKOVZGNIVOMPB-LJQANCHMSA-N 2 1 298.405 3.806 20 0 CHADMP [NH3+][C@H]1CCCC[N@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001205930852 1133632477 /nfs/dbraw/zinc/63/24/77/1133632477.db2.gz DTRLHTCLQJNZLU-IBGZPJMESA-N 2 1 298.405 3.806 20 0 CHADMP [NH3+][C@H]1CCCC[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001205930852 1133632482 /nfs/dbraw/zinc/63/24/82/1133632482.db2.gz DTRLHTCLQJNZLU-IBGZPJMESA-N 2 1 298.405 3.806 20 0 CHADMP Cc1ccc(-c2cccc(C[N@@H+]3CCCC[C@H]([NH3+])C3)c2)cc1 ZINC001205939631 1133632820 /nfs/dbraw/zinc/63/28/20/1133632820.db2.gz SWNMWEPRNOYKAN-FQEVSTJZSA-N 2 1 294.442 3.975 20 0 CHADMP Cc1ccc(-c2cccc(C[N@H+]3CCCC[C@H]([NH3+])C3)c2)cc1 ZINC001205939631 1133632822 /nfs/dbraw/zinc/63/28/22/1133632822.db2.gz SWNMWEPRNOYKAN-FQEVSTJZSA-N 2 1 294.442 3.975 20 0 CHADMP [NH3+][C@H]1CCCC[N@H+](Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001205940052 1133633015 /nfs/dbraw/zinc/63/30/15/1133633015.db2.gz ZKTXFKMVABBMAT-FQEVSTJZSA-N 2 1 294.442 3.591 20 0 CHADMP [NH3+][C@H]1CCCC[N@@H+](Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001205940052 1133633019 /nfs/dbraw/zinc/63/30/19/1133633019.db2.gz ZKTXFKMVABBMAT-FQEVSTJZSA-N 2 1 294.442 3.591 20 0 CHADMP C[C@@H]1CC[N@@H+](CCC[NH2+]C2CCCCC2)CCC1(F)F ZINC001205981715 1133638355 /nfs/dbraw/zinc/63/83/55/1133638355.db2.gz FWZNOGYKBYDKLZ-CQSZACIVSA-N 2 1 288.426 3.666 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)s1 ZINC001205996046 1133638754 /nfs/dbraw/zinc/63/87/54/1133638754.db2.gz UEDOTMDRSFHPMJ-LSDHHAIUSA-N 2 1 294.508 3.898 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC001206024105 1133642924 /nfs/dbraw/zinc/64/29/24/1133642924.db2.gz HREGHEYKMZHTJN-HUUCEWRRSA-N 2 1 294.870 3.764 20 0 CHADMP C[C@@H]1C[N@H+](Cc2cccc3c4ccccc4sc32)C[C@H]1[NH3+] ZINC001206058845 1133651108 /nfs/dbraw/zinc/65/11/08/1133651108.db2.gz SFUWBJAOJSVJNZ-MLGOLLRUSA-N 2 1 296.439 3.834 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2cccc3c4ccccc4sc32)C[C@H]1[NH3+] ZINC001206058845 1133651109 /nfs/dbraw/zinc/65/11/09/1133651109.db2.gz SFUWBJAOJSVJNZ-MLGOLLRUSA-N 2 1 296.439 3.834 20 0 CHADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC001206136084 1133663077 /nfs/dbraw/zinc/66/30/77/1133663077.db2.gz RADMPHZPGPIKSK-RHSMWYFYSA-N 2 1 296.886 3.979 20 0 CHADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC001206136084 1133663082 /nfs/dbraw/zinc/66/30/82/1133663082.db2.gz RADMPHZPGPIKSK-RHSMWYFYSA-N 2 1 296.886 3.979 20 0 CHADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001206277030 1133681014 /nfs/dbraw/zinc/68/10/14/1133681014.db2.gz MAVHJCZKAHDQSK-OAHLLOKOSA-N 2 1 298.405 3.534 20 0 CHADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001206277030 1133681018 /nfs/dbraw/zinc/68/10/18/1133681018.db2.gz MAVHJCZKAHDQSK-OAHLLOKOSA-N 2 1 298.405 3.534 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3CC[NH2+]C[C@@H](C)C3)cc2)c1 ZINC001206276760 1133681096 /nfs/dbraw/zinc/68/10/96/1133681096.db2.gz IFQMDEUIOOOVDB-QGZVFWFLSA-N 2 1 294.442 3.703 20 0 CHADMP Cc1cccc(-c2ccc(C[N@@H+]3CC[NH2+]C[C@@H](C)C3)cc2)c1 ZINC001206276760 1133681099 /nfs/dbraw/zinc/68/10/99/1133681099.db2.gz IFQMDEUIOOOVDB-QGZVFWFLSA-N 2 1 294.442 3.703 20 0 CHADMP Cc1csc2sc(C[N@H+]3CC[NH2+]C[C@@H](C)C3)c(C)c12 ZINC001206276600 1133681357 /nfs/dbraw/zinc/68/13/57/1133681357.db2.gz HCBPKTKGOYPFDG-SNVBAGLBSA-N 2 1 294.489 3.621 20 0 CHADMP Cc1csc2sc(C[N@@H+]3CC[NH2+]C[C@@H](C)C3)c(C)c12 ZINC001206276600 1133681358 /nfs/dbraw/zinc/68/13/58/1133681358.db2.gz HCBPKTKGOYPFDG-SNVBAGLBSA-N 2 1 294.489 3.621 20 0 CHADMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1 ZINC001206305468 1133686464 /nfs/dbraw/zinc/68/64/64/1133686464.db2.gz ZYSVXXFISFLHLB-LJQANCHMSA-N 2 1 288.479 3.935 20 0 CHADMP Cc1cccc(Cl)c1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206304488 1133687220 /nfs/dbraw/zinc/68/72/20/1133687220.db2.gz LJAZHEDWVWLFHH-INIZCTEOSA-N 2 1 280.843 3.599 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206334896 1133692004 /nfs/dbraw/zinc/69/20/04/1133692004.db2.gz ALSSUPRSAPSOGS-HOTGVXAUSA-N 2 1 270.436 3.522 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206334896 1133692005 /nfs/dbraw/zinc/69/20/05/1133692005.db2.gz ALSSUPRSAPSOGS-HOTGVXAUSA-N 2 1 270.436 3.522 20 0 CHADMP CC(C)c1ccc(CC[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001206541807 1133715365 /nfs/dbraw/zinc/71/53/65/1133715365.db2.gz KTKFLZQZJWRNNW-IBGZPJMESA-N 2 1 288.479 3.803 20 0 CHADMP CCC[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)[C@@H]1CC1(C)C ZINC001206537766 1133715898 /nfs/dbraw/zinc/71/58/98/1133715898.db2.gz NSUSTXDBJLSSHK-JKSUJKDBSA-N 2 1 268.489 3.769 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001206563332 1133717800 /nfs/dbraw/zinc/71/78/00/1133717800.db2.gz CJMYKYOGNUPZMW-IBGZPJMESA-N 2 1 288.479 3.980 20 0 CHADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(F)c3ccoc32)C1 ZINC001206573907 1133720631 /nfs/dbraw/zinc/72/06/31/1133720631.db2.gz PDBYDIGQOREVBZ-KRWDZBQOSA-N 2 1 290.382 3.523 20 0 CHADMP CC(C)c1cccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206573214 1133721080 /nfs/dbraw/zinc/72/10/80/1133721080.db2.gz JZSKVFZYRUVEPD-GOSISDBHSA-N 2 1 274.452 3.761 20 0 CHADMP CC(C)[N@@H+](Cc1cccc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC001206580943 1133722406 /nfs/dbraw/zinc/72/24/06/1133722406.db2.gz GNZFMNGOABKBNC-INIZCTEOSA-N 2 1 280.843 3.693 20 0 CHADMP CC(C)[N@@H+](Cc1cc2ccccc2o1)[C@@H]1CCC[NH2+]CC1 ZINC001206589058 1133723214 /nfs/dbraw/zinc/72/32/14/1133723214.db2.gz FKAPGMPDGQAESI-MRXNPFEDSA-N 2 1 286.419 3.785 20 0 CHADMP CC(C)[N@@H+](Cc1ccc2c(ccn2C)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206591663 1133724057 /nfs/dbraw/zinc/72/40/57/1133724057.db2.gz VBMVOIGIONVXFM-GOSISDBHSA-N 2 1 299.462 3.531 20 0 CHADMP CC(C)[N@@H+](Cc1ccc2c(ccn2C)c1)[C@H]1CCC[NH2+]CC1 ZINC001206591664 1133724589 /nfs/dbraw/zinc/72/45/89/1133724589.db2.gz VBMVOIGIONVXFM-SFHVURJKSA-N 2 1 299.462 3.531 20 0 CHADMP CC(C)[N@@H+](Cc1cccc2ccoc21)[C@H]1CCC[NH2+]CC1 ZINC001206598139 1133725216 /nfs/dbraw/zinc/72/52/16/1133725216.db2.gz IBWRKFCHDAUKAX-KRWDZBQOSA-N 2 1 286.419 3.785 20 0 CHADMP CC/C=C\CCCCC[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206761316 1133743253 /nfs/dbraw/zinc/74/32/53/1133743253.db2.gz WTBZLPRLEXPXDY-KSLSASGISA-N 2 1 252.446 3.572 20 0 CHADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(F)c2ccccc12 ZINC001206767883 1133745344 /nfs/dbraw/zinc/74/53/44/1133745344.db2.gz FVSBECOTBMGAFL-UONOGXRCSA-N 2 1 286.394 3.538 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCC12CCC2 ZINC001207103656 1133767977 /nfs/dbraw/zinc/76/79/77/1133767977.db2.gz YSSOERHSZUSADQ-NEWSRXKRSA-N 2 1 298.474 3.677 20 0 CHADMP C[N@@H+](CCC1CC1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207294979 1133788438 /nfs/dbraw/zinc/78/84/38/1133788438.db2.gz YFUJYOWCCXEQGP-UHFFFAOYSA-N 2 1 286.463 3.631 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC001207285362 1133788645 /nfs/dbraw/zinc/78/86/45/1133788645.db2.gz HXYVBSOYQZUKDU-INIZCTEOSA-N 2 1 278.415 3.550 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC001207285362 1133788654 /nfs/dbraw/zinc/78/86/54/1133788654.db2.gz HXYVBSOYQZUKDU-INIZCTEOSA-N 2 1 278.415 3.550 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001207287175 1133789542 /nfs/dbraw/zinc/78/95/42/1133789542.db2.gz YTZKKXYKASQAOQ-GOSISDBHSA-N 2 1 288.479 3.529 20 0 CHADMP CC(C)[N@@H+](CC1CC[NH+](C)CC1)[C@@H](C)c1ccccc1 ZINC001207401503 1133797046 /nfs/dbraw/zinc/79/70/46/1133797046.db2.gz OMXOCHPRSDSOAY-INIZCTEOSA-N 2 1 274.452 3.800 20 0 CHADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001207398470 1133798304 /nfs/dbraw/zinc/79/83/04/1133798304.db2.gz SKFHXKCHJFBUQL-QGZVFWFLSA-N 2 1 292.854 3.819 20 0 CHADMP C[NH+]1CCC(CC[N@H+]2CCC[C@H]2C2CCCCC2)CC1 ZINC001207486431 1133805416 /nfs/dbraw/zinc/80/54/16/1133805416.db2.gz ILCSDZGWGGTCBS-SFHVURJKSA-N 2 1 278.484 3.763 20 0 CHADMP C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2c2ccccc2)CC1 ZINC001207479592 1133806028 /nfs/dbraw/zinc/80/60/28/1133806028.db2.gz KKHDNWUHCAJSPC-IBGZPJMESA-N 2 1 286.463 3.946 20 0 CHADMP CC(C)c1ccc(CC[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC001207521331 1133814074 /nfs/dbraw/zinc/81/40/74/1133814074.db2.gz STLFHWVIJJKVSB-UHFFFAOYSA-N 2 1 288.479 3.770 20 0 CHADMP C[NH+]1CCC2(CC[N@@H+](CCCC3CCCCC3)C2)CC1 ZINC001207607788 1133828636 /nfs/dbraw/zinc/82/86/36/1133828636.db2.gz BDCLPLTUJQBDGE-UHFFFAOYSA-N 2 1 278.484 3.765 20 0 CHADMP C[N@@H+](C1CC1)C1CCN(CCCC2CCCCC2)CC1 ZINC001207608692 1133829647 /nfs/dbraw/zinc/82/96/47/1133829647.db2.gz CNYSLGMSTHTLEU-UHFFFAOYSA-N 2 1 278.484 3.906 20 0 CHADMP C[N@@H+](C1CC1)C1CC[NH+](CCCC2CCCCC2)CC1 ZINC001207608692 1133829658 /nfs/dbraw/zinc/82/96/58/1133829658.db2.gz CNYSLGMSTHTLEU-UHFFFAOYSA-N 2 1 278.484 3.906 20 0 CHADMP CC(C)[N@@H+](Cc1ccccc1)CC1(C)CC[NH+](C)CC1 ZINC001208102987 1133876901 /nfs/dbraw/zinc/87/69/01/1133876901.db2.gz JAOJPJDIMCTDJN-UHFFFAOYSA-N 2 1 274.452 3.629 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@@H+]2CC2(C)CC[NH+](C)CC2)cc1 ZINC001208105811 1133877639 /nfs/dbraw/zinc/87/76/39/1133877639.db2.gz CUZQHISCRPWVMZ-SFHVURJKSA-N 2 1 286.463 3.864 20 0 CHADMP C[NH+](C)CC1(C[N@@H+](C)[C@@H]2CCc3ccccc32)CCCC1 ZINC001208189670 1133902236 /nfs/dbraw/zinc/90/22/36/1133902236.db2.gz YCRZMHYQGSWGOS-GOSISDBHSA-N 2 1 286.463 3.728 20 0 CHADMP Cc1ccccc1C[N@H+](C)CC1(C[NH+](C)C)CCCC1 ZINC001208192307 1133904858 /nfs/dbraw/zinc/90/48/58/1133904858.db2.gz TXVHNKVMTWEKGO-UHFFFAOYSA-N 2 1 274.452 3.549 20 0 CHADMP CC(C)CC[NH+](CCC(C)C)C[C@@H]1CCC[N@H+](C)C1 ZINC001208619448 1133918531 /nfs/dbraw/zinc/91/85/31/1133918531.db2.gz XQDGIDONPAZDQQ-QGZVFWFLSA-N 2 1 268.489 3.722 20 0 CHADMP CC(C)CC[NH+](CCC(C)C)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208619448 1133918538 /nfs/dbraw/zinc/91/85/38/1133918538.db2.gz XQDGIDONPAZDQQ-QGZVFWFLSA-N 2 1 268.489 3.722 20 0 CHADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](C3CCCCC3)C2)CC1 ZINC001208597094 1133918793 /nfs/dbraw/zinc/91/87/93/1133918793.db2.gz CIRLIDHDNBQHRI-SFHVURJKSA-N 2 1 278.484 3.621 20 0 CHADMP C(C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)C1CCCC1 ZINC001208695386 1133928657 /nfs/dbraw/zinc/92/86/57/1133928657.db2.gz PFTUJGLKAPXFKN-GOSISDBHSA-N 2 1 278.484 3.907 20 0 CHADMP CC/C=C\CC[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001208730251 1133937239 /nfs/dbraw/zinc/93/72/39/1133937239.db2.gz SAJWNVXOPNNXDE-FEFZKZJHSA-N 2 1 264.457 3.682 20 0 CHADMP CC/C=C\CC[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001208730251 1133937243 /nfs/dbraw/zinc/93/72/43/1133937243.db2.gz SAJWNVXOPNNXDE-FEFZKZJHSA-N 2 1 264.457 3.682 20 0 CHADMP CC/C=C\CC[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001208730251 1133937245 /nfs/dbraw/zinc/93/72/45/1133937245.db2.gz SAJWNVXOPNNXDE-FEFZKZJHSA-N 2 1 264.457 3.682 20 0 CHADMP CCC[N@@H+](CC)C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001208929162 1133963968 /nfs/dbraw/zinc/96/39/68/1133963968.db2.gz OTMYVQIAWVQMST-SFHVURJKSA-N 2 1 274.452 3.631 20 0 CHADMP CCC[N@H+](CC)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208929162 1133963971 /nfs/dbraw/zinc/96/39/71/1133963971.db2.gz OTMYVQIAWVQMST-SFHVURJKSA-N 2 1 274.452 3.631 20 0 CHADMP CCC[N@@H+](CC)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208929162 1133963975 /nfs/dbraw/zinc/96/39/75/1133963975.db2.gz OTMYVQIAWVQMST-SFHVURJKSA-N 2 1 274.452 3.631 20 0 CHADMP CCC[NH+](CC)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208929162 1133963978 /nfs/dbraw/zinc/96/39/78/1133963978.db2.gz OTMYVQIAWVQMST-SFHVURJKSA-N 2 1 274.452 3.631 20 0 CHADMP CCC[NH+](CC)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208929162 1133963979 /nfs/dbraw/zinc/96/39/79/1133963979.db2.gz OTMYVQIAWVQMST-SFHVURJKSA-N 2 1 274.452 3.631 20 0 CHADMP C[N@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)C1CCCC1 ZINC001208937203 1133965754 /nfs/dbraw/zinc/96/57/54/1133965754.db2.gz RQBZWUFEYIRHBC-GOSISDBHSA-N 2 1 286.463 3.773 20 0 CHADMP C[N@@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)C1CCCC1 ZINC001208937203 1133965757 /nfs/dbraw/zinc/96/57/57/1133965757.db2.gz RQBZWUFEYIRHBC-GOSISDBHSA-N 2 1 286.463 3.773 20 0 CHADMP C[NH+](C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001208937203 1133965761 /nfs/dbraw/zinc/96/57/61/1133965761.db2.gz RQBZWUFEYIRHBC-GOSISDBHSA-N 2 1 286.463 3.773 20 0 CHADMP C[NH+](C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001208937203 1133965762 /nfs/dbraw/zinc/96/57/62/1133965762.db2.gz RQBZWUFEYIRHBC-GOSISDBHSA-N 2 1 286.463 3.773 20 0 CHADMP C[C@@H]1CCCCC[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208952416 1133966577 /nfs/dbraw/zinc/96/65/77/1133966577.db2.gz SCGMFHOKWXOPEB-IEBWSBKVSA-N 2 1 286.463 3.773 20 0 CHADMP C[C@@H]1CCCCC[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208952416 1133966583 /nfs/dbraw/zinc/96/65/83/1133966583.db2.gz SCGMFHOKWXOPEB-IEBWSBKVSA-N 2 1 286.463 3.773 20 0 CHADMP C[C@@H]1CCCCC[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208952416 1133966589 /nfs/dbraw/zinc/96/65/89/1133966589.db2.gz SCGMFHOKWXOPEB-IEBWSBKVSA-N 2 1 286.463 3.773 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCC34CCCCC4)C2)cc1 ZINC001208941148 1133967837 /nfs/dbraw/zinc/96/78/37/1133967837.db2.gz INTKICDMGWNXBE-IBGZPJMESA-N 2 1 298.474 3.917 20 0 CHADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CCC34CCCCC4)C2)cc1 ZINC001208941148 1133967842 /nfs/dbraw/zinc/96/78/42/1133967842.db2.gz INTKICDMGWNXBE-IBGZPJMESA-N 2 1 298.474 3.917 20 0 CHADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CCC34CCCCC4)C2)cc1 ZINC001208941148 1133967848 /nfs/dbraw/zinc/96/78/48/1133967848.db2.gz INTKICDMGWNXBE-IBGZPJMESA-N 2 1 298.474 3.917 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC4(CC4)CC3)C2)cc1 ZINC001208934340 1133968041 /nfs/dbraw/zinc/96/80/41/1133968041.db2.gz ZZSZLCQPGKKOMA-LJQANCHMSA-N 2 1 298.474 3.775 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001209289066 1134003041 /nfs/dbraw/zinc/00/30/41/1134003041.db2.gz XBTXVYFAGBEWLP-XDXAGZTOSA-N 2 1 278.484 3.931 20 0 CHADMP CC/C=C\CCCCCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001209289066 1134003045 /nfs/dbraw/zinc/00/30/45/1134003045.db2.gz XBTXVYFAGBEWLP-XDXAGZTOSA-N 2 1 278.484 3.931 20 0 CHADMP CC/C=C\CCCCCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001209289066 1134003050 /nfs/dbraw/zinc/00/30/50/1134003050.db2.gz XBTXVYFAGBEWLP-XDXAGZTOSA-N 2 1 278.484 3.931 20 0 CHADMP C[C@H]1CC[N@H+](Cc2ccccc2-c2cccs2)CC[NH2+]1 ZINC001210497142 1134229761 /nfs/dbraw/zinc/22/97/61/1134229761.db2.gz MACNYFMICQQDHF-AWEZNQCLSA-N 2 1 286.444 3.599 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2ccccc2-c2cccs2)CC[NH2+]1 ZINC001210497142 1134229766 /nfs/dbraw/zinc/22/97/66/1134229766.db2.gz MACNYFMICQQDHF-AWEZNQCLSA-N 2 1 286.444 3.599 20 0 CHADMP [NH3+]CCCCC[N@@H+](Cc1ccccc1)C1CCCCC1 ZINC001210580236 1134255271 /nfs/dbraw/zinc/25/52/71/1134255271.db2.gz GXEOXMVWWZSGNF-UHFFFAOYSA-N 2 1 274.452 3.950 20 0 CHADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C1 ZINC000311875852 1135131856 /nfs/dbraw/zinc/13/18/56/1135131856.db2.gz ATRWMYGMKIZRPZ-IXDOHACOSA-N 2 1 268.489 3.910 20 0 CHADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C1 ZINC000311875852 1135131859 /nfs/dbraw/zinc/13/18/59/1135131859.db2.gz ATRWMYGMKIZRPZ-IXDOHACOSA-N 2 1 268.489 3.910 20 0 CHADMP C[C@H](CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)CC(C)(C)C ZINC001222141093 1135198898 /nfs/dbraw/zinc/19/88/98/1135198898.db2.gz DUCHHTALELGFAN-NVXWUHKLSA-N 2 1 266.473 3.524 20 0 CHADMP Fc1ccccc1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222161645 1135202840 /nfs/dbraw/zinc/20/28/40/1135202840.db2.gz QWANJEIANGBFGS-SFHVURJKSA-N 2 1 290.426 3.572 20 0 CHADMP Fc1ccccc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222161645 1135202844 /nfs/dbraw/zinc/20/28/44/1135202844.db2.gz QWANJEIANGBFGS-SFHVURJKSA-N 2 1 290.426 3.572 20 0 CHADMP Cc1ccsc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161863 1135203328 /nfs/dbraw/zinc/20/33/28/1135203328.db2.gz RTYDLRUXYQYOLL-QGZVFWFLSA-N 2 1 292.492 3.802 20 0 CHADMP FC(F)c1ccccc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222264464 1135215650 /nfs/dbraw/zinc/21/56/50/1135215650.db2.gz ANGZDHNIUFCGSH-QGZVFWFLSA-N 2 1 294.389 3.590 20 0 CHADMP FC(F)c1ccccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222264464 1135215654 /nfs/dbraw/zinc/21/56/54/1135215654.db2.gz ANGZDHNIUFCGSH-QGZVFWFLSA-N 2 1 294.389 3.590 20 0 CHADMP C[C@@H](C[N@@H+]1CCC[C@@]2(CC[NH2+]2)C1)c1cccc2ccccc21 ZINC001222283351 1135217115 /nfs/dbraw/zinc/21/71/15/1135217115.db2.gz XECQQVQLPMOBRU-OXJNMPFZSA-N 2 1 294.442 3.771 20 0 CHADMP C[C@@H](C[N@H+]1CCC[C@@]2(CC[NH2+]2)C1)c1cccc2ccccc21 ZINC001222283351 1135217123 /nfs/dbraw/zinc/21/71/23/1135217123.db2.gz XECQQVQLPMOBRU-OXJNMPFZSA-N 2 1 294.442 3.771 20 0 CHADMP Cc1c(Cl)cccc1C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222277984 1135217428 /nfs/dbraw/zinc/21/74/28/1135217428.db2.gz UYOIDDLCHLBPAF-KRWDZBQOSA-N 2 1 292.854 3.614 20 0 CHADMP Cc1c(Cl)cccc1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222277984 1135217431 /nfs/dbraw/zinc/21/74/31/1135217431.db2.gz UYOIDDLCHLBPAF-KRWDZBQOSA-N 2 1 292.854 3.614 20 0 CHADMP CCc1cccc(C)c1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222277688 1135217778 /nfs/dbraw/zinc/21/77/78/1135217778.db2.gz QMAFQGGBAHXKHI-LJQANCHMSA-N 2 1 286.463 3.523 20 0 CHADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCC[C@]23CCC[NH2+]CC3)CC1 ZINC001222308373 1135221741 /nfs/dbraw/zinc/22/17/41/1135221741.db2.gz JLGWLPCRKPHKLX-KSZLIROESA-N 2 1 276.468 3.587 20 0 CHADMP C[C@H](C[NH+]1CC2(C1)CCC[NH2+]C2)c1cccc2ccccc21 ZINC001222335629 1135228027 /nfs/dbraw/zinc/22/80/27/1135228027.db2.gz ZDCGURBFSZSRJA-MRXNPFEDSA-N 2 1 294.442 3.629 20 0 CHADMP CC1(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)CCCCC1 ZINC001222595829 1135254119 /nfs/dbraw/zinc/25/41/19/1135254119.db2.gz JZILAQZCFNWTND-GOSISDBHSA-N 2 1 298.474 3.646 20 0 CHADMP CC(C)c1ccc(C[NH+]2CCC3(CCC[NH2+]3)CC2)cc1 ZINC001226784691 1135741619 /nfs/dbraw/zinc/74/16/19/1135741619.db2.gz LEEHFRVRCDTCTC-UHFFFAOYSA-N 2 1 272.436 3.528 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1F ZINC000352793308 529657270 /nfs/dbraw/zinc/65/72/70/529657270.db2.gz AZRPECYVGAECBE-KEYYUXOJSA-N 2 1 278.415 3.739 20 0 CHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC2(C)C)CC1 ZINC000353633010 529998649 /nfs/dbraw/zinc/99/86/49/529998649.db2.gz RJAWOHYHASYTMZ-DAWZGUTISA-N 2 1 286.463 3.818 20 0 CHADMP Cc1oc2ccccc2c1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000355058067 227355454 /nfs/dbraw/zinc/35/54/54/227355454.db2.gz NNVZLNMETNHHME-UHFFFAOYSA-N 2 1 298.430 3.801 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)C1CCCCCC1 ZINC000169046170 335019578 /nfs/dbraw/zinc/01/95/78/335019578.db2.gz WQNOLHNEIIOKFH-BHYGNILZSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)C1CCCCCC1 ZINC000169046170 335019579 /nfs/dbraw/zinc/01/95/79/335019579.db2.gz WQNOLHNEIIOKFH-BHYGNILZSA-N 2 1 264.457 3.562 20 0 CHADMP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCC)C1 ZINC000574601031 335032618 /nfs/dbraw/zinc/03/26/18/335032618.db2.gz QIKFRSWDGWUANX-XHSDSOJGSA-N 2 1 254.462 3.523 20 0 CHADMP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000574766167 335046004 /nfs/dbraw/zinc/04/60/04/335046004.db2.gz FMAWGMXCFSASEH-RDJZCZTQSA-N 2 1 277.456 3.547 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)s1 ZINC000019913192 262206155 /nfs/dbraw/zinc/20/61/55/262206155.db2.gz NZAXWRHAJZKZCT-ZFWWWQNUSA-N 2 1 280.481 3.972 20 0 CHADMP CCC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccccc1 ZINC000221908265 262322742 /nfs/dbraw/zinc/32/27/42/262322742.db2.gz BKVDUIKLBZVDFM-QGZVFWFLSA-N 2 1 262.441 3.848 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000341880563 130107212 /nfs/dbraw/zinc/10/72/12/130107212.db2.gz VZXBTHAHPXBCQT-UHFFFAOYSA-N 2 1 289.810 3.514 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000020189803 171056123 /nfs/dbraw/zinc/05/61/23/171056123.db2.gz LDPZZCNDSREBEQ-INIZCTEOSA-N 2 1 290.476 3.688 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@H](C)c2cc3ccccc3o2)CC1 ZINC000020189959 171056848 /nfs/dbraw/zinc/05/68/48/171056848.db2.gz FQBDVSHIGOSEJS-CQSZACIVSA-N 2 1 286.419 3.958 20 0 CHADMP CCCCC[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000020553056 171248348 /nfs/dbraw/zinc/24/83/48/171248348.db2.gz KRHOFVWLKKLGMJ-HOTGVXAUSA-N 2 1 254.462 3.809 20 0 CHADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1)C[NH+]1CCCCC1 ZINC000038041688 174043229 /nfs/dbraw/zinc/04/32/29/174043229.db2.gz XBEZWGPSDIFWBF-KBPBESRZSA-N 2 1 296.405 3.737 20 0 CHADMP CCCCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000078776039 177385689 /nfs/dbraw/zinc/38/56/89/177385689.db2.gz TVZUXKBSGSXYMV-KRWDZBQOSA-N 2 1 266.473 3.765 20 0 CHADMP CCC(C)(C)C1CCC([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000037248559 260078589 /nfs/dbraw/zinc/07/85/89/260078589.db2.gz HOXQZGMNMSSUOX-UHFFFAOYSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000366974961 226030766 /nfs/dbraw/zinc/03/07/66/226030766.db2.gz ULONTHJYDIWZNH-BRFLTPSNSA-N 2 1 286.463 3.559 20 0 CHADMP CC(C)C1CCC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000312455832 260034104 /nfs/dbraw/zinc/03/41/04/260034104.db2.gz PDGJRKSINBDOLA-HIEASXQVSA-N 2 1 278.484 3.665 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(C)o1 ZINC000037786528 260118095 /nfs/dbraw/zinc/11/80/95/260118095.db2.gz TYIQLHKFNGDVGN-ZDUSSCGKSA-N 2 1 278.440 3.810 20 0 CHADMP CCc1ccc([C@@H](CC)[NH2+]C2CC[NH+](CC)CC2)cc1 ZINC000038098063 260125918 /nfs/dbraw/zinc/12/59/18/260125918.db2.gz FULLKKBQJWAYKA-GOSISDBHSA-N 2 1 274.452 3.774 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H](C)c2cccc(Cl)c2)C1 ZINC000516815502 260132496 /nfs/dbraw/zinc/13/24/96/260132496.db2.gz UGDVLMUQSIOQTL-GJZGRUSLSA-N 2 1 294.870 3.763 20 0 CHADMP CC(C)C[NH+]1CCC([NH2+]Cc2cccc(Cl)c2)CC1 ZINC000075760842 260166160 /nfs/dbraw/zinc/16/61/60/260166160.db2.gz PMFKXRKXBMFZRO-UHFFFAOYSA-N 2 1 280.843 3.550 20 0 CHADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000312755448 260197161 /nfs/dbraw/zinc/19/71/61/260197161.db2.gz OGRWXWXKGYXFRE-SCZZXKLOSA-N 2 1 293.263 3.662 20 0 CHADMP CC(C)C1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000088163920 260280234 /nfs/dbraw/zinc/28/02/34/260280234.db2.gz KGXRDONUNBKXQG-CSRJKQTDSA-N 2 1 278.484 3.806 20 0 CHADMP CC(C)C1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000088163920 260280236 /nfs/dbraw/zinc/28/02/36/260280236.db2.gz KGXRDONUNBKXQG-CSRJKQTDSA-N 2 1 278.484 3.806 20 0 CHADMP Cc1cc(C)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C ZINC000088164204 260280643 /nfs/dbraw/zinc/28/06/43/260280643.db2.gz GTFJNJUUMBPYAM-YQQQUEKLSA-N 2 1 286.463 3.717 20 0 CHADMP CCC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCCC1 ZINC000313388224 260289995 /nfs/dbraw/zinc/28/99/95/260289995.db2.gz IRENONHIWUQANA-HQSKLWIPSA-N 2 1 278.484 3.950 20 0 CHADMP CCC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCCC1 ZINC000313388224 260289997 /nfs/dbraw/zinc/28/99/97/260289997.db2.gz IRENONHIWUQANA-HQSKLWIPSA-N 2 1 278.484 3.950 20 0 CHADMP C[C@H]1C[C@H](NCc2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000090721678 260393211 /nfs/dbraw/zinc/39/32/11/260393211.db2.gz CUGXWXYEOVOHSJ-IINYFYTJSA-N 2 1 287.234 3.566 20 0 CHADMP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000090721678 260393214 /nfs/dbraw/zinc/39/32/14/260393214.db2.gz CUGXWXYEOVOHSJ-IINYFYTJSA-N 2 1 287.234 3.566 20 0 CHADMP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000090721678 260393216 /nfs/dbraw/zinc/39/32/16/260393216.db2.gz CUGXWXYEOVOHSJ-IINYFYTJSA-N 2 1 287.234 3.566 20 0 CHADMP C[C@H]1C[C@@H](NCc2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000090720593 260393347 /nfs/dbraw/zinc/39/33/47/260393347.db2.gz CFAHTQADZFZYMD-JQWIXIFHSA-N 2 1 287.234 3.566 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000090720593 260393350 /nfs/dbraw/zinc/39/33/50/260393350.db2.gz CFAHTQADZFZYMD-JQWIXIFHSA-N 2 1 287.234 3.566 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000090720593 260393351 /nfs/dbraw/zinc/39/33/51/260393351.db2.gz CFAHTQADZFZYMD-JQWIXIFHSA-N 2 1 287.234 3.566 20 0 CHADMP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000130246920 260394212 /nfs/dbraw/zinc/39/42/12/260394212.db2.gz QYGXORHLFUMFMI-BFHYXJOUSA-N 2 1 278.465 3.588 20 0 CHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC1(c2ccccc2)CC1 ZINC000444686191 261065780 /nfs/dbraw/zinc/06/57/80/261065780.db2.gz BUPSZLNDUVGHLB-SFHVURJKSA-N 2 1 286.463 3.524 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC1(c2ccccc2)CC1 ZINC000444686191 261065781 /nfs/dbraw/zinc/06/57/81/261065781.db2.gz BUPSZLNDUVGHLB-SFHVURJKSA-N 2 1 286.463 3.524 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC1(c2ccccc2)CC1 ZINC000444686191 261065782 /nfs/dbraw/zinc/06/57/82/261065782.db2.gz BUPSZLNDUVGHLB-SFHVURJKSA-N 2 1 286.463 3.524 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)C[C@@H](c2ccccc2)C1 ZINC000161526612 261079202 /nfs/dbraw/zinc/07/92/02/261079202.db2.gz PALVXNALIQEEGO-VDZJLULYSA-N 2 1 286.463 3.643 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)C[C@H](c2ccccc2)C1 ZINC000161526853 261079666 /nfs/dbraw/zinc/07/96/66/261079666.db2.gz PALVXNALIQEEGO-KVSKMBFKSA-N 2 1 286.463 3.643 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccncc2)c1 ZINC000156516879 261124749 /nfs/dbraw/zinc/12/47/49/261124749.db2.gz ACHAWBHZNQSNFU-INIZCTEOSA-N 2 1 297.446 3.773 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000165633515 261374061 /nfs/dbraw/zinc/37/40/61/261374061.db2.gz QNXNMEIOZXRBLI-LBPRGKRZSA-N 2 1 277.799 3.586 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000183952776 262001120 /nfs/dbraw/zinc/00/11/20/262001120.db2.gz NKLGLHBRAJRRCS-OAHLLOKOSA-N 2 1 296.405 3.788 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000183952776 262001122 /nfs/dbraw/zinc/00/11/22/262001122.db2.gz NKLGLHBRAJRRCS-OAHLLOKOSA-N 2 1 296.405 3.788 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C(F)F)cc2)CC[N@@H+]1C ZINC000183955206 262002115 /nfs/dbraw/zinc/00/21/15/262002115.db2.gz KXSXVXCKJXKPHT-WFASDCNBSA-N 2 1 282.378 3.539 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C(F)F)cc2)CC[N@H+]1C ZINC000183955206 262002118 /nfs/dbraw/zinc/00/21/18/262002118.db2.gz KXSXVXCKJXKPHT-WFASDCNBSA-N 2 1 282.378 3.539 20 0 CHADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C(F)F)cc2)CC[NH+]1C ZINC000183955206 262002120 /nfs/dbraw/zinc/00/21/20/262002120.db2.gz KXSXVXCKJXKPHT-WFASDCNBSA-N 2 1 282.378 3.539 20 0 CHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C(F)F)cc2)CC[NH+]1C ZINC000183955206 262002122 /nfs/dbraw/zinc/00/21/22/262002122.db2.gz KXSXVXCKJXKPHT-WFASDCNBSA-N 2 1 282.378 3.539 20 0 CHADMP COc1cccc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000019913096 262177994 /nfs/dbraw/zinc/17/79/94/262177994.db2.gz FDXRLHVYSHFSOA-HOTGVXAUSA-N 2 1 290.451 3.610 20 0 CHADMP C[NH+](C)CCC[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000019958136 262207674 /nfs/dbraw/zinc/20/76/74/262207674.db2.gz AWACTCMHCYXCBM-UHFFFAOYSA-N 2 1 284.403 3.520 20 0 CHADMP CC[C@@H](C)[C@@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000020552313 262250429 /nfs/dbraw/zinc/25/04/29/262250429.db2.gz TYUXYVSIWYYNNQ-HZPDHXFCSA-N 2 1 262.441 3.533 20 0 CHADMP Cc1nc(C)c([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)s1 ZINC000221943349 262332841 /nfs/dbraw/zinc/33/28/41/262332841.db2.gz HNFAFKUXQQWYQC-CYBMUJFWSA-N 2 1 295.496 3.531 20 0 CHADMP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc(F)c(F)c1 ZINC000021505726 262389497 /nfs/dbraw/zinc/38/94/97/262389497.db2.gz DOFYUOBPIKBLKL-CQSZACIVSA-N 2 1 296.405 3.737 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCc2sccc21 ZINC000061324531 262394094 /nfs/dbraw/zinc/39/40/94/262394094.db2.gz YFBSIWLQXVZCIZ-GDBMZVCRSA-N 2 1 292.492 3.980 20 0 CHADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(Cl)c1F ZINC000274049766 263021190 /nfs/dbraw/zinc/02/11/90/263021190.db2.gz LALHSBYMNDZSAX-OAHLLOKOSA-N 2 1 296.817 3.782 20 0 CHADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC1CCC(c2ccccc2)CC1 ZINC000414661609 263023789 /nfs/dbraw/zinc/02/37/89/263023789.db2.gz OXVFWZMKFASTBX-SDDULXJBSA-N 2 1 286.463 3.630 20 0 CHADMP Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414669167 263027618 /nfs/dbraw/zinc/02/76/18/263027618.db2.gz BJVNMLNKGONDHC-RYRKJORJSA-N 2 1 272.436 3.520 20 0 CHADMP C[C@@H]1C[C@H](C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)CC[NH2+]1 ZINC000414689874 263032669 /nfs/dbraw/zinc/03/26/69/263032669.db2.gz LYKOMCNKXWECAS-SPYBWZPUSA-N 2 1 284.447 3.526 20 0 CHADMP CCSc1cccc(C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)c1 ZINC000414713381 263033966 /nfs/dbraw/zinc/03/39/66/263033966.db2.gz KGACNIIGWLWBRV-MRXNPFEDSA-N 2 1 292.492 3.763 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414785700 263047017 /nfs/dbraw/zinc/04/70/17/263047017.db2.gz TUJUBJWXWPUYAF-HOTGVXAUSA-N 2 1 298.430 3.563 20 0 CHADMP C[C@@H](CCc1cccc(F)c1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414835805 263057109 /nfs/dbraw/zinc/05/71/09/263057109.db2.gz HXMGPZDKABPRTI-KSSFIOAISA-N 2 1 292.442 3.644 20 0 CHADMP C[C@@H](CCc1ccccc1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414838364 263057420 /nfs/dbraw/zinc/05/74/20/263057420.db2.gz KMKMBQXGEIDMQP-YJBOKZPZSA-N 2 1 274.452 3.505 20 0 CHADMP C[C@H](CC[NH2+][C@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000414854813 263071438 /nfs/dbraw/zinc/07/14/38/263071438.db2.gz VPRDVQSIGPAUTJ-CRAIPNDOSA-N 2 1 274.452 3.677 20 0 CHADMP C[C@H](CCc1ccc(F)cc1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414855088 263071739 /nfs/dbraw/zinc/07/17/39/263071739.db2.gz WDEIBWWTCFDBFS-RDTXWAMCSA-N 2 1 292.442 3.644 20 0 CHADMP [NH3+]C1(C[NH2+]Cc2ccc(F)c(-c3cccs3)c2)CCC1 ZINC000414879770 263095099 /nfs/dbraw/zinc/09/50/99/263095099.db2.gz IVJWOOUYEZBGIC-UHFFFAOYSA-N 2 1 290.407 3.525 20 0 CHADMP C[C@H](CCC1CCCC1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414881540 263097306 /nfs/dbraw/zinc/09/73/06/263097306.db2.gz RMOBXJJBWUIAPL-MRXNPFEDSA-N 2 1 289.467 3.510 20 0 CHADMP C[C@@H](CCC1CCCC1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414881537 263097346 /nfs/dbraw/zinc/09/73/46/263097346.db2.gz RMOBXJJBWUIAPL-INIZCTEOSA-N 2 1 289.467 3.510 20 0 CHADMP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1Cl ZINC000415060158 263258839 /nfs/dbraw/zinc/25/88/39/263258839.db2.gz YFIWACCCDQSLNV-RDJZCZTQSA-N 2 1 292.854 3.612 20 0 CHADMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1Cl ZINC000415060158 263258840 /nfs/dbraw/zinc/25/88/40/263258840.db2.gz YFIWACCCDQSLNV-RDJZCZTQSA-N 2 1 292.854 3.612 20 0 CHADMP CC[C@H](C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000415061285 263258911 /nfs/dbraw/zinc/25/89/11/263258911.db2.gz ZYHLKCGZBHYUJJ-QRQLOZEOSA-N 2 1 286.463 3.644 20 0 CHADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)s1 ZINC000415086961 263271623 /nfs/dbraw/zinc/27/16/23/263271623.db2.gz SILJKQGHXCRXNP-NVXWUHKLSA-N 2 1 286.444 3.639 20 0 CHADMP c1ccc([C@@H]2C[C@H]([NH2+]CC3CCCCC3)CC[NH2+]2)cc1 ZINC000415100799 263274153 /nfs/dbraw/zinc/27/41/53/263274153.db2.gz IDEPFNOKWVDWBG-MSOLQXFVSA-N 2 1 272.436 3.650 20 0 CHADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1F ZINC000415106144 263274186 /nfs/dbraw/zinc/27/41/86/263274186.db2.gz MQMUYVIGGXXQOS-MJGOQNOKSA-N 2 1 298.405 3.717 20 0 CHADMP C[C@H]([NH2+]CC[N@H+](C)C1CCCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417311487 263795099 /nfs/dbraw/zinc/79/50/99/263795099.db2.gz MBIGTQGRLOJPRV-CWRNSKLLSA-N 2 1 292.492 3.704 20 0 CHADMP C[C@H]([NH2+]CC[N@@H+](C)C1CCCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417311487 263795101 /nfs/dbraw/zinc/79/51/01/263795101.db2.gz MBIGTQGRLOJPRV-CWRNSKLLSA-N 2 1 292.492 3.704 20 0 CHADMP CCSc1ccccc1[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000425952055 264070880 /nfs/dbraw/zinc/07/08/80/264070880.db2.gz RPGSMIPQGUTECH-KGLIPLIRSA-N 2 1 280.481 3.647 20 0 CHADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000425958540 264226659 /nfs/dbraw/zinc/22/66/59/264226659.db2.gz NTLZTNJBEVGVND-SNUQEOBHSA-N 2 1 290.426 3.521 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000425958540 264226660 /nfs/dbraw/zinc/22/66/60/264226660.db2.gz NTLZTNJBEVGVND-SNUQEOBHSA-N 2 1 290.426 3.521 20 0 CHADMP CC(C)c1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000128106800 264280667 /nfs/dbraw/zinc/28/06/67/264280667.db2.gz RAAJQIKXRMHBKB-UHFFFAOYSA-N 2 1 286.463 3.774 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)Nc1cc[nH+]cc1Cl ZINC000094272493 265234001 /nfs/dbraw/zinc/23/40/01/265234001.db2.gz ZMFUIDXAFHSENQ-LBPRGKRZSA-N 2 1 269.820 3.657 20 0 CHADMP C[C@H](CC[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21)c1ccccc1 ZINC000519129548 265328487 /nfs/dbraw/zinc/32/84/87/265328487.db2.gz BEAUVYDUYNOUIN-QRQLOZEOSA-N 2 1 286.463 3.596 20 0 CHADMP C[C@H](CC[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)c1ccccc1 ZINC000519129548 265328489 /nfs/dbraw/zinc/32/84/89/265328489.db2.gz BEAUVYDUYNOUIN-QRQLOZEOSA-N 2 1 286.463 3.596 20 0 CHADMP C[C@H](CC[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)c1ccccc1 ZINC000519129548 265328492 /nfs/dbraw/zinc/32/84/92/265328492.db2.gz BEAUVYDUYNOUIN-QRQLOZEOSA-N 2 1 286.463 3.596 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]CC2(SC)CCC2)c1 ZINC000356184953 266065019 /nfs/dbraw/zinc/06/50/19/266065019.db2.gz FYUITKBWEVLTDT-UHFFFAOYSA-N 2 1 292.492 3.514 20 0 CHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H]1c1cccs1 ZINC000356853079 266191684 /nfs/dbraw/zinc/19/16/84/266191684.db2.gz NSTPVJFXHFBDBV-LSDHHAIUSA-N 2 1 278.465 3.759 20 0 CHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000356853079 266191686 /nfs/dbraw/zinc/19/16/86/266191686.db2.gz NSTPVJFXHFBDBV-LSDHHAIUSA-N 2 1 278.465 3.759 20 0 CHADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H]1c1cccs1 ZINC000356853079 266191689 /nfs/dbraw/zinc/19/16/89/266191689.db2.gz NSTPVJFXHFBDBV-LSDHHAIUSA-N 2 1 278.465 3.759 20 0 CHADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(Cl)o2)c1 ZINC000356932796 266214298 /nfs/dbraw/zinc/21/42/98/266214298.db2.gz ZGOLHAGYAOFCPL-UHFFFAOYSA-N 2 1 292.810 3.675 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(Cl)o2)c1 ZINC000356932796 266214300 /nfs/dbraw/zinc/21/43/00/266214300.db2.gz ZGOLHAGYAOFCPL-UHFFFAOYSA-N 2 1 292.810 3.675 20 0 CHADMP CC[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(C)ccc1OC ZINC000357802967 266367007 /nfs/dbraw/zinc/36/70/07/266367007.db2.gz ZKJFWYKPSCUEHD-ZOBUZTSGSA-N 2 1 290.451 3.527 20 0 CHADMP CC[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(C)ccc1OC ZINC000357802967 266367010 /nfs/dbraw/zinc/36/70/10/266367010.db2.gz ZKJFWYKPSCUEHD-ZOBUZTSGSA-N 2 1 290.451 3.527 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(C)ccc1OC ZINC000357802967 266367012 /nfs/dbraw/zinc/36/70/12/266367012.db2.gz ZKJFWYKPSCUEHD-ZOBUZTSGSA-N 2 1 290.451 3.527 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(C)ccc1OC ZINC000357802967 266367014 /nfs/dbraw/zinc/36/70/14/266367014.db2.gz ZKJFWYKPSCUEHD-ZOBUZTSGSA-N 2 1 290.451 3.527 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000359286215 266559704 /nfs/dbraw/zinc/55/97/04/266559704.db2.gz NEWFANIIUHCWEB-QGZVFWFLSA-N 2 1 290.451 3.530 20 0 CHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(c2ccsc2)CC1 ZINC000362604938 267020122 /nfs/dbraw/zinc/02/01/22/267020122.db2.gz YJCGXHWIOMLRNF-QGZVFWFLSA-N 2 1 292.492 3.802 20 0 CHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(c2ccsc2)CC1 ZINC000362604937 267020723 /nfs/dbraw/zinc/02/07/23/267020723.db2.gz YJCGXHWIOMLRNF-KRWDZBQOSA-N 2 1 292.492 3.802 20 0 CHADMP CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000570898270 327631861 /nfs/dbraw/zinc/63/18/61/327631861.db2.gz JJRIAOURGFCLOI-OIISXLGYSA-N 2 1 277.456 3.776 20 0 CHADMP CC(C)C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccs1 ZINC000531724903 328023488 /nfs/dbraw/zinc/02/34/88/328023488.db2.gz ARCZPQXGABUZRB-ILXRZTDVSA-N 2 1 280.481 3.908 20 0 CHADMP CC(C)C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccs1 ZINC000531724903 328023489 /nfs/dbraw/zinc/02/34/89/328023489.db2.gz ARCZPQXGABUZRB-ILXRZTDVSA-N 2 1 280.481 3.908 20 0 CHADMP Cc1ccc([C@@H]2CCCCC[NH+]2CC[C@H]2CCC[N@@H+]2C)o1 ZINC000534011373 328032727 /nfs/dbraw/zinc/03/27/27/328032727.db2.gz QZBPSALFZOGBCD-SJORKVTESA-N 2 1 290.451 3.989 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000534236535 328039431 /nfs/dbraw/zinc/03/94/31/328039431.db2.gz XBNLCZSJHNNEEI-QGZVFWFLSA-N 2 1 292.854 3.791 20 0 CHADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC000401760420 328056788 /nfs/dbraw/zinc/05/67/88/328056788.db2.gz BNZXQFSYLDQQPT-IBGZPJMESA-N 2 1 297.446 3.874 20 0 CHADMP Cc1ccc2cc[nH+]c(N3CCC([C@H]4CCC[NH2+]4)CC3)c2c1 ZINC000571327395 328107801 /nfs/dbraw/zinc/10/78/01/328107801.db2.gz WZHWUVGUONWBPO-GOSISDBHSA-N 2 1 295.430 3.512 20 0 CHADMP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1cccs1 ZINC000164633321 328132170 /nfs/dbraw/zinc/13/21/70/328132170.db2.gz TWYZBOGVCLWNBW-CQSZACIVSA-N 2 1 277.437 3.774 20 0 CHADMP CC[N@@H+](Cc1cc2ccccc2s1)[C@H]1CCC[NH2+]CC1 ZINC000414717350 328216378 /nfs/dbraw/zinc/21/63/78/328216378.db2.gz PUASMHDXWDBHTK-HNNXBMFYSA-N 2 1 288.460 3.865 20 0 CHADMP C[N@@H+]([C@H]1CC[C@](C)(c2ccccc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC000414754751 328220338 /nfs/dbraw/zinc/22/03/38/328220338.db2.gz SCZHGSWZSQHRDX-QYZOEREBSA-N 2 1 286.463 3.571 20 0 CHADMP Cc1ccc(-c2ccc(C[NH2+]C[C@H]([NH3+])C3CC3)s2)cc1 ZINC000414892969 328252107 /nfs/dbraw/zinc/25/21/07/328252107.db2.gz JXDXLUCVGFWKEU-INIZCTEOSA-N 2 1 286.444 3.550 20 0 CHADMP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296064919 328288801 /nfs/dbraw/zinc/28/88/01/328288801.db2.gz WESDGZPMESYEEW-DOEQRONASA-N 2 1 284.447 3.758 20 0 CHADMP c1ccc([C@H](CC2CC2)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000531937755 328319684 /nfs/dbraw/zinc/31/96/84/328319684.db2.gz UDHUOACEFPSEIX-APWZRJJASA-N 2 1 284.447 3.602 20 0 CHADMP Cc1cc(CNCCC[N@@H+]2CCCC[C@H]2C)c(C)s1 ZINC000049684896 328376173 /nfs/dbraw/zinc/37/61/73/328376173.db2.gz JPBKZUJGNLPWBJ-CYBMUJFWSA-N 2 1 280.481 3.719 20 0 CHADMP Cc1cc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)c(C)s1 ZINC000049684896 328376175 /nfs/dbraw/zinc/37/61/75/328376175.db2.gz JPBKZUJGNLPWBJ-CYBMUJFWSA-N 2 1 280.481 3.719 20 0 CHADMP Cc1cc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c(C)s1 ZINC000049684896 328376176 /nfs/dbraw/zinc/37/61/76/328376176.db2.gz JPBKZUJGNLPWBJ-CYBMUJFWSA-N 2 1 280.481 3.719 20 0 CHADMP COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000531993540 328385970 /nfs/dbraw/zinc/38/59/70/328385970.db2.gz BMPVFKSLKFIOHG-JYJNAYRXSA-N 2 1 290.451 3.527 20 0 CHADMP CC[NH+](CC)Cc1cccc(CNc2cc(C)cc[nH+]2)c1 ZINC000347729622 328576243 /nfs/dbraw/zinc/57/62/43/328576243.db2.gz YQXWPEVHQPUFFD-UHFFFAOYSA-N 2 1 283.419 3.844 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000255635208 327001041 /nfs/dbraw/zinc/00/10/41/327001041.db2.gz KHMBAGQJFRIFDR-OSJSJHBBSA-N 2 1 290.426 3.503 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000255635208 327001043 /nfs/dbraw/zinc/00/10/43/327001043.db2.gz KHMBAGQJFRIFDR-OSJSJHBBSA-N 2 1 290.426 3.503 20 0 CHADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261585676 327004126 /nfs/dbraw/zinc/00/41/26/327004126.db2.gz INVMJKAUTSMPEA-FQMFCJFBSA-N 2 1 299.245 3.724 20 0 CHADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261585676 327004128 /nfs/dbraw/zinc/00/41/28/327004128.db2.gz INVMJKAUTSMPEA-FQMFCJFBSA-N 2 1 299.245 3.724 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261564025 327051787 /nfs/dbraw/zinc/05/17/87/327051787.db2.gz CBZIVQWPMGVXNR-RDBSUJKOSA-N 2 1 280.843 3.721 20 0 CHADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000558419119 327092462 /nfs/dbraw/zinc/09/24/62/327092462.db2.gz IAYGWNXIBULGGZ-ZACQAIPSSA-N 2 1 266.473 3.665 20 0 CHADMP CCC[N@H+](CC)CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000558976402 327136224 /nfs/dbraw/zinc/13/62/24/327136224.db2.gz FGXHUJBZDBBMHB-NJAFHUGGSA-N 2 1 274.452 3.500 20 0 CHADMP CCC[N@@H+](CC)CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000558976402 327136225 /nfs/dbraw/zinc/13/62/25/327136225.db2.gz FGXHUJBZDBBMHB-NJAFHUGGSA-N 2 1 274.452 3.500 20 0 CHADMP CC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H](C)c1cc2ccccc2o1 ZINC000261594992 327141180 /nfs/dbraw/zinc/14/11/80/327141180.db2.gz CBARAJXPEPIUGS-HUUCEWRRSA-N 2 1 286.419 3.815 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261597681 327151549 /nfs/dbraw/zinc/15/15/49/327151549.db2.gz ATBSQOGTTQQEHN-ZMYBRWDISA-N 2 1 280.415 3.585 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(C)sc1C ZINC000569392735 327171989 /nfs/dbraw/zinc/17/19/89/327171989.db2.gz XVNXPNZOZYXPQM-UHFFFAOYSA-N 2 1 268.470 3.529 20 0 CHADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000410378048 327188748 /nfs/dbraw/zinc/18/87/48/327188748.db2.gz KASZIEKUFYVOLV-IRXDYDNUSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000559788124 327261479 /nfs/dbraw/zinc/26/14/79/327261479.db2.gz DHJIPZWINZGHNB-NXWXRZEISA-N 2 1 286.463 3.990 20 0 CHADMP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000559788124 327261480 /nfs/dbraw/zinc/26/14/80/327261480.db2.gz DHJIPZWINZGHNB-NXWXRZEISA-N 2 1 286.463 3.990 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(C(C)C)C(C)C)C1 ZINC000560258261 327294696 /nfs/dbraw/zinc/29/46/96/327294696.db2.gz VFFVHLXFUPRPNX-MRXNPFEDSA-N 2 1 268.489 3.578 20 0 CHADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000261608231 327295364 /nfs/dbraw/zinc/29/53/64/327295364.db2.gz RTIQEGIYWPUBAY-HNNXBMFYSA-N 2 1 294.851 3.725 20 0 CHADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000261608231 327295365 /nfs/dbraw/zinc/29/53/65/327295365.db2.gz RTIQEGIYWPUBAY-HNNXBMFYSA-N 2 1 294.851 3.725 20 0 CHADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000560537673 327320934 /nfs/dbraw/zinc/32/09/34/327320934.db2.gz QGUOPYXFIQAIEV-FHWLQOOXSA-N 2 1 286.463 3.533 20 0 CHADMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000560550157 327323807 /nfs/dbraw/zinc/32/38/07/327323807.db2.gz VAXHAPCYSUGSNW-MVJTYMMSSA-N 2 1 278.484 3.664 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C2CC(C)(c3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000561314095 327385127 /nfs/dbraw/zinc/38/51/27/327385127.db2.gz BMIOGKYIQIUPLG-URTMOLNLSA-N 2 1 298.474 3.569 20 0 CHADMP c1ccc(-c2cccc(C[NH2+]CCC[NH+]3CCC3)c2)cc1 ZINC000583580224 328621087 /nfs/dbraw/zinc/62/10/87/328621087.db2.gz XTKLEELVAFDBAR-UHFFFAOYSA-N 2 1 280.415 3.539 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@@H](C)c2ccccc2)C1 ZINC000194021898 329064973 /nfs/dbraw/zinc/06/49/73/329064973.db2.gz LGAADYDXDSBSLC-MSOLQXFVSA-N 2 1 288.479 3.844 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000194021898 329064974 /nfs/dbraw/zinc/06/49/74/329064974.db2.gz LGAADYDXDSBSLC-MSOLQXFVSA-N 2 1 288.479 3.844 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000194021898 329064975 /nfs/dbraw/zinc/06/49/75/329064975.db2.gz LGAADYDXDSBSLC-MSOLQXFVSA-N 2 1 288.479 3.844 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CC[C@@H](C)c1ccccc1 ZINC000194193954 329067167 /nfs/dbraw/zinc/06/71/67/329067167.db2.gz DFHJLCVCISNXLZ-HZPDHXFCSA-N 2 1 285.435 3.611 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(SC)cc2)[C@H](C)C1 ZINC000174775703 329161315 /nfs/dbraw/zinc/16/13/15/329161315.db2.gz XTTHDYXQRXGRAP-PBHICJAKSA-N 2 1 292.492 3.571 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(SC)cc2)[C@H](C)C1 ZINC000174775703 329161316 /nfs/dbraw/zinc/16/13/16/329161316.db2.gz XTTHDYXQRXGRAP-PBHICJAKSA-N 2 1 292.492 3.571 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(SC)cc2)[C@H](C)C1 ZINC000174775703 329161317 /nfs/dbraw/zinc/16/13/17/329161317.db2.gz XTTHDYXQRXGRAP-PBHICJAKSA-N 2 1 292.492 3.571 20 0 CHADMP CC(C)[NH+](CCC[NH2+][C@@H](C)c1ccsc1)C(C)C ZINC000178220198 329194654 /nfs/dbraw/zinc/19/46/54/329194654.db2.gz KCEGUYSFCPMQDY-AWEZNQCLSA-N 2 1 268.470 3.908 20 0 CHADMP CC(C)C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccn1 ZINC000178409281 329199838 /nfs/dbraw/zinc/19/98/38/329199838.db2.gz YVHZDECWKRWNFL-SFHVURJKSA-N 2 1 289.467 3.634 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000178698064 329202259 /nfs/dbraw/zinc/20/22/59/329202259.db2.gz DTZLSKSFWGUWQJ-MNOVXSKESA-N 2 1 297.855 3.893 20 0 CHADMP Cc1occc1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000321022002 329214253 /nfs/dbraw/zinc/21/42/53/329214253.db2.gz WBRSTOIGWZKOOK-KXBFYZLASA-N 2 1 298.430 3.588 20 0 CHADMP Cc1occc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000321022002 329214255 /nfs/dbraw/zinc/21/42/55/329214255.db2.gz WBRSTOIGWZKOOK-KXBFYZLASA-N 2 1 298.430 3.588 20 0 CHADMP CCSc1cccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000186214303 329339823 /nfs/dbraw/zinc/33/98/23/329339823.db2.gz JKHQVPBWOPIVBQ-UHFFFAOYSA-N 2 1 292.492 3.572 20 0 CHADMP C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1csc(Cl)c1 ZINC000230408139 329367622 /nfs/dbraw/zinc/36/76/22/329367622.db2.gz AFOJJYGNBGRASZ-CYZMBNFOSA-N 2 1 284.856 3.679 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1csc(Cl)c1 ZINC000230408139 329367624 /nfs/dbraw/zinc/36/76/24/329367624.db2.gz AFOJJYGNBGRASZ-CYZMBNFOSA-N 2 1 284.856 3.679 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1csc(Cl)c1 ZINC000230408139 329367625 /nfs/dbraw/zinc/36/76/25/329367625.db2.gz AFOJJYGNBGRASZ-CYZMBNFOSA-N 2 1 284.856 3.679 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C2(C4CC4)CC2)C3)cc1 ZINC000583243291 329393069 /nfs/dbraw/zinc/39/30/69/329393069.db2.gz NGUXUDOPYZODJK-LDLYASANSA-N 2 1 296.458 3.714 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1cccc2ccccc21 ZINC000572375751 330021734 /nfs/dbraw/zinc/02/17/34/330021734.db2.gz VXTIDMODSRMFEK-UHFFFAOYSA-N 2 1 293.414 3.638 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1cccc2ccccc21 ZINC000572375751 330021736 /nfs/dbraw/zinc/02/17/36/330021736.db2.gz VXTIDMODSRMFEK-UHFFFAOYSA-N 2 1 293.414 3.638 20 0 CHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(F)cc1 ZINC000527111515 330059898 /nfs/dbraw/zinc/05/98/98/330059898.db2.gz VVXMIWBZDXJSJB-PBHICJAKSA-N 2 1 290.426 3.536 20 0 CHADMP C[C@H](C[NH2+][C@H]1CC[N@H+](C2CCCC2)C1)c1ccc(F)cc1 ZINC000527111515 330059899 /nfs/dbraw/zinc/05/98/99/330059899.db2.gz VVXMIWBZDXJSJB-PBHICJAKSA-N 2 1 290.426 3.536 20 0 CHADMP COC1([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)CCCC1 ZINC000421821048 330086914 /nfs/dbraw/zinc/08/69/14/330086914.db2.gz PDNREYPFXIXNKF-SJORKVTESA-N 2 1 296.499 3.578 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC=CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379643244 330144971 /nfs/dbraw/zinc/14/49/71/330144971.db2.gz FQNHUWVGJNVTIR-QWFCFKBJSA-N 2 1 298.474 3.985 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC=CCC2)CC[N@H+]1Cc1ccccc1 ZINC000379643244 330144972 /nfs/dbraw/zinc/14/49/72/330144972.db2.gz FQNHUWVGJNVTIR-QWFCFKBJSA-N 2 1 298.474 3.985 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000379640484 330145944 /nfs/dbraw/zinc/14/59/44/330145944.db2.gz WSOFGZKALYHXLY-NXHRZFHOSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000379640484 330145946 /nfs/dbraw/zinc/14/59/46/330145946.db2.gz WSOFGZKALYHXLY-NXHRZFHOSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000379642891 330146310 /nfs/dbraw/zinc/14/63/10/330146310.db2.gz ANBHURLIYZGLAU-WBVHZDCISA-N 2 1 274.452 3.675 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000379642891 330146312 /nfs/dbraw/zinc/14/63/12/330146312.db2.gz ANBHURLIYZGLAU-WBVHZDCISA-N 2 1 274.452 3.675 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1Cl ZINC000422772487 330154238 /nfs/dbraw/zinc/15/42/38/330154238.db2.gz ZCHBVIKDNZGXBT-YIBTVLSRSA-N 2 1 299.245 3.927 20 0 CHADMP CCC(CC)(C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccccc1 ZINC000422787717 330155263 /nfs/dbraw/zinc/15/52/63/330155263.db2.gz ABDNPFGMZHOAEL-HNNXBMFYSA-N 2 1 297.446 3.903 20 0 CHADMP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422822515 330156522 /nfs/dbraw/zinc/15/65/22/330156522.db2.gz BCQOBHIHJZAKLQ-RBUKOAKNSA-N 2 1 296.414 3.708 20 0 CHADMP CC(C)(C)CC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422937985 330161412 /nfs/dbraw/zinc/16/14/12/330161412.db2.gz KIBTYNAEQBIGCI-CVEARBPZSA-N 2 1 260.425 3.506 20 0 CHADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422954174 330164020 /nfs/dbraw/zinc/16/40/20/330164020.db2.gz HCWSXNNGSSAGHM-GBRSUSRYSA-N 2 1 278.399 3.654 20 0 CHADMP CSCc1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000423059654 330167677 /nfs/dbraw/zinc/16/76/77/330167677.db2.gz MJFXJOQKMSMRMN-ZWKOTPCHSA-N 2 1 298.455 3.784 20 0 CHADMP CC(C)[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)Cc1ccccc1 ZINC000423065486 330168343 /nfs/dbraw/zinc/16/83/43/330168343.db2.gz BIZGUCAMPVZIIG-RDJZCZTQSA-N 2 1 297.446 3.660 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc2cccc(F)c2o1 ZINC000423075676 330168621 /nfs/dbraw/zinc/16/86/21/330168621.db2.gz XNMCKNFIYGPUNS-BKQLOGFTSA-N 2 1 288.366 3.506 20 0 CHADMP C[C@H]([NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423096440 330169789 /nfs/dbraw/zinc/16/97/89/330169789.db2.gz OVHAQMVZGTVLAW-CSFVBSKPSA-N 2 1 292.854 3.706 20 0 CHADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423100595 330170291 /nfs/dbraw/zinc/17/02/91/330170291.db2.gz NADFVVDISUOATF-NRSFXHEJSA-N 2 1 272.436 3.506 20 0 CHADMP CSCc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000423113466 330170789 /nfs/dbraw/zinc/17/07/89/330170789.db2.gz UGGRUSBSMFDFGN-ZWKOTPCHSA-N 2 1 298.455 3.784 20 0 CHADMP Clc1cc2c(s1)CCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423132902 330171877 /nfs/dbraw/zinc/17/18/77/330171877.db2.gz PSHFVIIPDXEBAT-FIOVSDBCSA-N 2 1 296.867 3.652 20 0 CHADMP Cc1csc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000423146388 330172561 /nfs/dbraw/zinc/17/25/61/330172561.db2.gz AMBNJBKTVVJMPK-NVXWUHKLSA-N 2 1 286.444 3.639 20 0 CHADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(Cl)s1 ZINC000423179573 330175144 /nfs/dbraw/zinc/17/51/44/330175144.db2.gz MMQFXWZCIHJXPA-SNVBAGLBSA-N 2 1 272.845 3.714 20 0 CHADMP CC(C)C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccccn1 ZINC000423198823 330176604 /nfs/dbraw/zinc/17/66/04/330176604.db2.gz ICTJNYWABHTZBN-QGZVFWFLSA-N 2 1 289.467 3.810 20 0 CHADMP CC(C)[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(F)cn1 ZINC000423201410 330176789 /nfs/dbraw/zinc/17/67/89/330176789.db2.gz ONSIQDJMRKCFLX-INIZCTEOSA-N 2 1 293.430 3.559 20 0 CHADMP c1ccc2c(c1)sc1c2CCC[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423233568 330181038 /nfs/dbraw/zinc/18/10/38/330181038.db2.gz KCJOCTZDDXWFAZ-WFASDCNBSA-N 2 1 286.444 3.620 20 0 CHADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000423263875 330184183 /nfs/dbraw/zinc/18/41/83/330184183.db2.gz BHLAFKAAFLTPQX-QWHCGFSZSA-N 2 1 287.234 3.554 20 0 CHADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423270820 330184299 /nfs/dbraw/zinc/18/42/99/330184299.db2.gz WZABPBUPCUJNET-QZHFEQFPSA-N 2 1 286.463 3.676 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000423287742 330185988 /nfs/dbraw/zinc/18/59/88/330185988.db2.gz OEGGSBMMSSVBCH-CQSZACIVSA-N 2 1 278.440 3.642 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423302022 330189029 /nfs/dbraw/zinc/18/90/29/330189029.db2.gz VAGVKKMNYCWDDV-DNVCBOLYSA-N 2 1 297.446 3.917 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000423302842 330189043 /nfs/dbraw/zinc/18/90/43/330189043.db2.gz WBBJIBOPFPFNDX-GFJIZPEISA-N 2 1 294.405 3.851 20 0 CHADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(-c2cccs2)cc1 ZINC000423323182 330190679 /nfs/dbraw/zinc/19/06/79/330190679.db2.gz ONKXWJVQQZDCRY-WBMJQRKESA-N 2 1 286.444 3.803 20 0 CHADMP CC(C)(C)[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc2ccccc2o1 ZINC000423331817 330191299 /nfs/dbraw/zinc/19/12/99/330191299.db2.gz UWUMPVVFBSVTPJ-WMLDXEAASA-N 2 1 286.419 3.847 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cccc(Cl)c1F ZINC000423365075 330194158 /nfs/dbraw/zinc/19/41/58/330194158.db2.gz CUKZBDUMDMRTCC-DDTOSNHZSA-N 2 1 284.806 3.518 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cc(Cl)ccc1Cl ZINC000423397108 330195545 /nfs/dbraw/zinc/19/55/45/330195545.db2.gz ODCXKQONTVPEQC-ISTVAULSSA-N 2 1 287.234 3.642 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)CC[NH2+]1 ZINC000423373753 330195596 /nfs/dbraw/zinc/19/55/96/330195596.db2.gz JKYKBXYIPIRWPV-ZMYBRWDISA-N 2 1 298.405 3.645 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc(Cl)cc(Cl)c1 ZINC000423383822 330199670 /nfs/dbraw/zinc/19/96/70/330199670.db2.gz PQKFJEZCOUJTIB-GPCCPHFNSA-N 2 1 287.234 3.785 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cc2cc(Cl)ccc2o1 ZINC000423391313 330200317 /nfs/dbraw/zinc/20/03/17/330200317.db2.gz KTTXSDGJVUHMIG-UHIISALHSA-N 2 1 292.810 3.735 20 0 CHADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cc(Cl)sc1Cl ZINC000423389810 330200455 /nfs/dbraw/zinc/20/04/55/330200455.db2.gz OKZZMJHDVUPZLN-CIUDSAMLSA-N 2 1 293.263 3.975 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc2cc(Cl)ccc2o1 ZINC000423395308 330200913 /nfs/dbraw/zinc/20/09/13/330200913.db2.gz SNYDAGGUAJZJMN-UHIISALHSA-N 2 1 292.810 3.877 20 0 CHADMP C[C@@H]([NH2+][C@H]1CCCSc2ccc(Cl)cc21)[C@H](C)[NH3+] ZINC000423444196 330202071 /nfs/dbraw/zinc/20/20/71/330202071.db2.gz LJVRDOWDEZVAJG-CWSCBRNRSA-N 2 1 284.856 3.592 20 0 CHADMP Cc1nc(-c2cc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cs2)cs1 ZINC000423448899 330202546 /nfs/dbraw/zinc/20/25/46/330202546.db2.gz QSWSDXHMLQOPTA-GUBZILKMSA-N 2 1 295.477 3.566 20 0 CHADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000423450197 330202920 /nfs/dbraw/zinc/20/29/20/330202920.db2.gz SQNUXXPOMRWULY-PMPSAXMXSA-N 2 1 298.430 3.652 20 0 CHADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2ccc(F)cc2)s1 ZINC000423449788 330202940 /nfs/dbraw/zinc/20/29/40/330202940.db2.gz SDELTIGUQTVCPK-UTUOFQBUSA-N 2 1 292.423 3.941 20 0 CHADMP CCC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423454142 330203453 /nfs/dbraw/zinc/20/34/53/330203453.db2.gz YQSKOLCZQHUZHW-WDMOLILDSA-N 2 1 254.805 3.507 20 0 CHADMP CSc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000423509412 330209165 /nfs/dbraw/zinc/20/91/65/330209165.db2.gz JRCCZZNCIFCANA-BLLLJJGKSA-N 2 1 278.465 3.577 20 0 CHADMP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000423518911 330209597 /nfs/dbraw/zinc/20/95/97/330209597.db2.gz CSEHKPDAFSSQCD-LLVKDONJSA-N 2 1 295.496 3.542 20 0 CHADMP C[C@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CCCC2)c2ccsc2S1 ZINC000423517059 330209793 /nfs/dbraw/zinc/20/97/93/330209793.db2.gz YNCYCYIGMRHGPM-BPNCWPANSA-N 2 1 296.505 3.781 20 0 CHADMP Cc1ccc2cc([C@H](C)[NH2+]CCC[NH2+]C3CC3)oc2c1 ZINC000423545775 330211318 /nfs/dbraw/zinc/21/13/18/330211318.db2.gz DRIVFDCWWFQHPT-ZDUSSCGKSA-N 2 1 272.392 3.534 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC000536830120 330228800 /nfs/dbraw/zinc/22/88/00/330228800.db2.gz AWSQFOITCZIDLG-HOTGVXAUSA-N 2 1 292.442 3.844 20 0 CHADMP CCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)s1 ZINC000538717827 330229794 /nfs/dbraw/zinc/22/97/94/330229794.db2.gz BVCZSAFLFXPLMV-KGLIPLIRSA-N 2 1 280.481 3.615 20 0 CHADMP CCc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)s1 ZINC000538717827 330229796 /nfs/dbraw/zinc/22/97/96/330229796.db2.gz BVCZSAFLFXPLMV-KGLIPLIRSA-N 2 1 280.481 3.615 20 0 CHADMP CCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)s1 ZINC000538717827 330229798 /nfs/dbraw/zinc/22/97/98/330229798.db2.gz BVCZSAFLFXPLMV-KGLIPLIRSA-N 2 1 280.481 3.615 20 0 CHADMP CCc1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)s1 ZINC000538717827 330229799 /nfs/dbraw/zinc/22/97/99/330229799.db2.gz BVCZSAFLFXPLMV-KGLIPLIRSA-N 2 1 280.481 3.615 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527701360 330274745 /nfs/dbraw/zinc/27/47/45/330274745.db2.gz QEZMIYUVIOHFCJ-LQJIQPLVSA-N 2 1 298.474 3.533 20 0 CHADMP CC(C)Cc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000527733823 330278610 /nfs/dbraw/zinc/27/86/10/330278610.db2.gz RCMAVRXNCSPYDS-RTBURBONSA-N 2 1 286.463 3.602 20 0 CHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527691046 330279300 /nfs/dbraw/zinc/27/93/00/330279300.db2.gz KRPASNXYEMJJRW-NCTLDZBQSA-N 2 1 290.495 3.664 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CC2CC=CC2)CC[N@@H+]1Cc1ccccc1 ZINC000527743140 330280033 /nfs/dbraw/zinc/28/00/33/330280033.db2.gz FUUCWPLPVXHPIT-APWZRJJASA-N 2 1 284.447 3.595 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CC2CC=CC2)CC[N@H+]1Cc1ccccc1 ZINC000527743140 330280034 /nfs/dbraw/zinc/28/00/34/330280034.db2.gz FUUCWPLPVXHPIT-APWZRJJASA-N 2 1 284.447 3.595 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(C)ccc1C ZINC000527817355 330282787 /nfs/dbraw/zinc/28/27/87/330282787.db2.gz CMXISNXUNAQDHN-LMMKCTJWSA-N 2 1 286.463 3.971 20 0 CHADMP CC(C)c1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000527864593 330285450 /nfs/dbraw/zinc/28/54/50/330285450.db2.gz JLSOBHCONSWPNG-MPGHIAIKSA-N 2 1 274.452 3.943 20 0 CHADMP CC(C)c1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000527864593 330285451 /nfs/dbraw/zinc/28/54/51/330285451.db2.gz JLSOBHCONSWPNG-MPGHIAIKSA-N 2 1 274.452 3.943 20 0 CHADMP CC[C@H](C)c1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000527848543 330288038 /nfs/dbraw/zinc/28/80/38/330288038.db2.gz RQSLICYJLITQKS-LSDHHAIUSA-N 2 1 274.452 3.945 20 0 CHADMP CC(C)[NH+]1CCC([NH2+][C@@H](c2cccs2)C2CC2)CC1 ZINC000044298155 330327232 /nfs/dbraw/zinc/32/72/32/330327232.db2.gz NOMVOLLYQJNCEU-MRXNPFEDSA-N 2 1 278.465 3.662 20 0 CHADMP CC(C)C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000044534784 330330052 /nfs/dbraw/zinc/33/00/52/330330052.db2.gz MIIWXDBJIZARBD-SJLPKXTDSA-N 2 1 274.452 3.705 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@H]2CC=CCC2)c1 ZINC000533105874 330337320 /nfs/dbraw/zinc/33/73/20/330337320.db2.gz CBGCOBVUIVGSKU-KRWDZBQOSA-N 2 1 286.463 3.973 20 0 CHADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000045692258 330348808 /nfs/dbraw/zinc/34/88/08/330348808.db2.gz PAXKJAKTPQYOQG-KTAKPFMOSA-N 2 1 294.870 3.906 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc(C(F)(F)F)c1 ZINC000424378183 330348915 /nfs/dbraw/zinc/34/89/15/330348915.db2.gz SPTIISXWVPRKRB-LERXQTSPSA-N 2 1 286.341 3.626 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc(C)c1F ZINC000119732789 330377763 /nfs/dbraw/zinc/37/77/63/330377763.db2.gz DXTNYYPYWNBSBL-AWEZNQCLSA-N 2 1 290.426 3.720 20 0 CHADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000089428391 330385011 /nfs/dbraw/zinc/38/50/11/330385011.db2.gz ZPWJQYGGVLXCBC-KSZLIROESA-N 2 1 286.463 3.657 20 0 CHADMP Cc1ccccc1[C@@H]1C[C@H](C)[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000089428391 330385012 /nfs/dbraw/zinc/38/50/12/330385012.db2.gz ZPWJQYGGVLXCBC-KSZLIROESA-N 2 1 286.463 3.657 20 0 CHADMP Cc1ccccc1[C@@H]1C[C@H](C)[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000089428391 330385013 /nfs/dbraw/zinc/38/50/13/330385013.db2.gz ZPWJQYGGVLXCBC-KSZLIROESA-N 2 1 286.463 3.657 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2cccc(C)c2)[C@H](C)C1 ZINC000120798797 330392194 /nfs/dbraw/zinc/39/21/94/330392194.db2.gz QYNXNGBZDWEYGR-SJLPKXTDSA-N 2 1 288.479 3.593 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccccc1OC(C)C ZINC000515154639 330471887 /nfs/dbraw/zinc/47/18/87/330471887.db2.gz MLBWQQNWXVKHCS-MRXNPFEDSA-N 2 1 292.467 3.856 20 0 CHADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCCc1cccc2ccccc21 ZINC000430584234 330569386 /nfs/dbraw/zinc/56/93/86/330569386.db2.gz UPHBSVHBUKDVTI-IBGZPJMESA-N 2 1 284.447 3.735 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000436283812 330673325 /nfs/dbraw/zinc/67/33/25/330673325.db2.gz WBJYPOQKLCHGHW-KBAYOESNSA-N 2 1 274.452 3.643 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+]CC[C@H](C)c1ccccc1 ZINC000447821150 330877864 /nfs/dbraw/zinc/87/78/64/330877864.db2.gz JQCSSIALZJQVEF-JKSUJKDBSA-N 2 1 262.441 3.500 20 0 CHADMP c1cc2cccc(C[NH+]3CCC([NH+]4CCCCC4)CC3)c2o1 ZINC000449010563 330891377 /nfs/dbraw/zinc/89/13/77/330891377.db2.gz STAURELOYATKAR-UHFFFAOYSA-N 2 1 298.430 3.883 20 0 CHADMP Cc1ccc(N2CCC([NH2+][C@H](C)CC(C)(C)C)CC2)[nH+]c1 ZINC000449163386 330902811 /nfs/dbraw/zinc/90/28/11/330902811.db2.gz MBWIFWSZLCLWJM-OAHLLOKOSA-N 2 1 289.467 3.773 20 0 CHADMP C[C@@H](CCCC(F)(F)F)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000163212189 331001153 /nfs/dbraw/zinc/00/11/53/331001153.db2.gz JBILOUDQPFOCLH-ZDUSSCGKSA-N 2 1 294.405 3.962 20 0 CHADMP CC(C)[C@@H](C[NH2+][C@H](C)CCCC(F)(F)F)[NH+]1CCCC1 ZINC000163239076 331007186 /nfs/dbraw/zinc/00/71/86/331007186.db2.gz LZFVTHGWEFURTI-ZIAGYGMSSA-N 2 1 294.405 3.818 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1Cc2cccc(C)c2CC1(C)C ZINC000451263443 331022368 /nfs/dbraw/zinc/02/23/68/331022368.db2.gz QPJOCNXCXMOKQY-UHFFFAOYSA-N 2 1 297.446 3.727 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1Cc2cccc(C)c2CC1(C)C ZINC000451263443 331022369 /nfs/dbraw/zinc/02/23/69/331022369.db2.gz QPJOCNXCXMOKQY-UHFFFAOYSA-N 2 1 297.446 3.727 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)[C@H]1CCC[C@H](C)C1 ZINC000452062171 331052616 /nfs/dbraw/zinc/05/26/16/331052616.db2.gz ROZASGGPHZPRPY-ZOBUZTSGSA-N 2 1 277.456 3.776 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C(C)C)C1CC(C)(C)C1 ZINC000452100589 331054231 /nfs/dbraw/zinc/05/42/31/331054231.db2.gz DWQAWPRCVFKVPA-UHFFFAOYSA-N 2 1 277.456 3.871 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C(C)C)C1CC(C)(C)C1 ZINC000452100589 331054232 /nfs/dbraw/zinc/05/42/32/331054232.db2.gz DWQAWPRCVFKVPA-UHFFFAOYSA-N 2 1 277.456 3.871 20 0 CHADMP CC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccncc1 ZINC000453065341 331085921 /nfs/dbraw/zinc/08/59/21/331085921.db2.gz USIVIINZBDCHQS-WMZOPIPTSA-N 2 1 289.467 3.777 20 0 CHADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000163791266 331099672 /nfs/dbraw/zinc/09/96/72/331099672.db2.gz USFIKUDPJVXXFR-UHFFFAOYSA-N 2 1 298.833 3.833 20 0 CHADMP CC/C=C\C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000453333973 331118153 /nfs/dbraw/zinc/11/81/53/331118153.db2.gz XFPIZKVKDAXMOZ-YWEYNIOJSA-N 2 1 286.463 3.985 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc2c(c1)CCC2 ZINC000453386126 331126600 /nfs/dbraw/zinc/12/66/00/331126600.db2.gz ABKDJADGBRYRQX-OAHLLOKOSA-N 2 1 286.463 3.700 20 0 CHADMP CC(C)[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccccc1 ZINC000453391488 331127420 /nfs/dbraw/zinc/12/74/20/331127420.db2.gz DOFXJNHJMFSOTR-GOSISDBHSA-N 2 1 274.452 3.848 20 0 CHADMP C[N@@H+](CCCC[NH2+]C1CC(c2cccc(F)c2)C1)C1CC1 ZINC000453397646 331128093 /nfs/dbraw/zinc/12/80/93/331128093.db2.gz JUQNVTMHIBYASJ-UHFFFAOYSA-N 2 1 290.426 3.536 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)C1CCCCCC1 ZINC000453409518 331129663 /nfs/dbraw/zinc/12/96/63/331129663.db2.gz UNDKNYJXSYYJHX-OAHLLOKOSA-N 2 1 266.473 3.809 20 0 CHADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453411674 331129994 /nfs/dbraw/zinc/12/99/94/331129994.db2.gz VYEPENQTTRAVNM-HZPDHXFCSA-N 2 1 266.473 3.665 20 0 CHADMP CCc1nc(C)c([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)s1 ZINC000453415026 331130214 /nfs/dbraw/zinc/13/02/14/331130214.db2.gz WYTUKHUXRFLPAA-GFCCVEGCSA-N 2 1 295.496 3.539 20 0 CHADMP CCc1nc(C)c([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)s1 ZINC000453415027 331130277 /nfs/dbraw/zinc/13/02/77/331130277.db2.gz WYTUKHUXRFLPAA-LBPRGKRZSA-N 2 1 295.496 3.539 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2ccccc21 ZINC000453418678 331130568 /nfs/dbraw/zinc/13/05/68/331130568.db2.gz YQPDCZHSCSVATN-KSSFIOAISA-N 2 1 272.436 3.699 20 0 CHADMP Cc1cc(C)c(C[NH2+]CCCC[N@H+](C)C2CC2)c(C)c1 ZINC000453601325 331135899 /nfs/dbraw/zinc/13/58/99/331135899.db2.gz NTZRPUZJCSECTJ-UHFFFAOYSA-N 2 1 274.452 3.576 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)CC2CCC(F)(F)CC2)CC1 ZINC000459371793 331278751 /nfs/dbraw/zinc/27/87/51/331278751.db2.gz YXKQGPRPCMARTQ-UHFFFAOYSA-N 2 1 288.426 3.618 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1C ZINC000459384842 331279417 /nfs/dbraw/zinc/27/94/17/331279417.db2.gz YEANLFXPJUBEKS-LULLPPNCSA-N 2 1 286.463 3.595 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1C ZINC000459384842 331279418 /nfs/dbraw/zinc/27/94/18/331279418.db2.gz YEANLFXPJUBEKS-LULLPPNCSA-N 2 1 286.463 3.595 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1C ZINC000459384842 331279419 /nfs/dbraw/zinc/27/94/19/331279419.db2.gz YEANLFXPJUBEKS-LULLPPNCSA-N 2 1 286.463 3.595 20 0 CHADMP c1ccc(CCCCC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000459398046 331279979 /nfs/dbraw/zinc/27/99/79/331279979.db2.gz FGQFGYPAFAMBRP-UHFFFAOYSA-N 2 1 286.463 3.616 20 0 CHADMP C[C@H]1CCCc2ccccc2[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459483071 331284332 /nfs/dbraw/zinc/28/43/32/331284332.db2.gz RGTBMKKHVAJSHH-YWZLYKJASA-N 2 1 298.474 3.917 20 0 CHADMP CCC1(CC)CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000459497534 331284844 /nfs/dbraw/zinc/28/48/44/331284844.db2.gz SSAIZEXKKWZLGA-UHFFFAOYSA-N 2 1 278.484 3.952 20 0 CHADMP COc1ccc(C)cc1[C@H](C)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000459690040 331294584 /nfs/dbraw/zinc/29/45/84/331294584.db2.gz JBVYAHVWXCHTHU-HOTGVXAUSA-N 2 1 290.451 3.529 20 0 CHADMP COc1ccc(C)cc1[C@H](C)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000459690040 331294585 /nfs/dbraw/zinc/29/45/85/331294585.db2.gz JBVYAHVWXCHTHU-HOTGVXAUSA-N 2 1 290.451 3.529 20 0 CHADMP COc1ccc(C)cc1[C@H](C)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000459690041 331294621 /nfs/dbraw/zinc/29/46/21/331294621.db2.gz JBVYAHVWXCHTHU-JKSUJKDBSA-N 2 1 290.451 3.529 20 0 CHADMP COc1ccc(C)cc1[C@H](C)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000459690041 331294622 /nfs/dbraw/zinc/29/46/22/331294622.db2.gz JBVYAHVWXCHTHU-JKSUJKDBSA-N 2 1 290.451 3.529 20 0 CHADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1F ZINC000459724237 331295862 /nfs/dbraw/zinc/29/58/62/331295862.db2.gz AKIMHFIXFLXIJE-PBHICJAKSA-N 2 1 278.415 3.598 20 0 CHADMP C[C@@H](CCC1CCCC1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459727056 331296127 /nfs/dbraw/zinc/29/61/27/331296127.db2.gz CCVHETRXRAHRMD-DOTOQJQBSA-N 2 1 266.473 3.667 20 0 CHADMP CCC[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459734960 331296884 /nfs/dbraw/zinc/29/68/84/331296884.db2.gz HFTYCFDXCCVOJM-RBUKOAKNSA-N 2 1 288.479 3.719 20 0 CHADMP C[C@H](CC[NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000459797489 331301593 /nfs/dbraw/zinc/30/15/93/331301593.db2.gz WTZZUMFMFYVAJE-IAGOWNOFSA-N 2 1 274.452 3.502 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000459800723 331301595 /nfs/dbraw/zinc/30/15/95/331301595.db2.gz ZZJFMNXNQTZACU-ZACQAIPSSA-N 2 1 266.473 3.523 20 0 CHADMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)s1 ZINC000166175053 331306672 /nfs/dbraw/zinc/30/66/72/331306672.db2.gz XUVXPHABYFBUGP-CYBMUJFWSA-N 2 1 280.481 3.606 20 0 CHADMP C[C@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC12CCCCC2 ZINC000462451664 331322178 /nfs/dbraw/zinc/32/21/78/331322178.db2.gz JYGJGPULROKROD-IRXDYDNUSA-N 2 1 278.484 3.763 20 0 CHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCCCC2)C1 ZINC000462747941 331327136 /nfs/dbraw/zinc/32/71/36/331327136.db2.gz YOZVJDFMQKPGCI-OAHLLOKOSA-N 2 1 266.473 3.809 20 0 CHADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCCCC2)C1 ZINC000462747941 331327137 /nfs/dbraw/zinc/32/71/37/331327137.db2.gz YOZVJDFMQKPGCI-OAHLLOKOSA-N 2 1 266.473 3.809 20 0 CHADMP Cc1cc(N(C)CC[C@@H]2CCCC[N@H+]2C)c2ccccc2[nH+]1 ZINC000463077326 331339702 /nfs/dbraw/zinc/33/97/02/331339702.db2.gz KMRXQGDXWBYEHT-INIZCTEOSA-N 2 1 297.446 3.854 20 0 CHADMP CC[NH+]1CCC([N@H+](C)CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC000464866693 331372143 /nfs/dbraw/zinc/37/21/43/331372143.db2.gz FGIOAVMKYZNYBF-HZPDHXFCSA-N 2 1 266.473 3.619 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC000464866693 331372144 /nfs/dbraw/zinc/37/21/44/331372144.db2.gz FGIOAVMKYZNYBF-HZPDHXFCSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCCC1)C1CCC(F)(F)CC1 ZINC000474038444 331564339 /nfs/dbraw/zinc/56/43/39/331564339.db2.gz UNCAAINQRARPBX-CYBMUJFWSA-N 2 1 288.426 3.664 20 0 CHADMP Cc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)ccc1Cl ZINC000475575391 331637996 /nfs/dbraw/zinc/63/79/96/331637996.db2.gz NZNKYUZNLLIQHH-UHFFFAOYSA-N 2 1 292.854 3.755 20 0 CHADMP Cc1ccoc1C[NH2+]C(C)(C)CC[NH+]1CCCCCC1 ZINC000479598498 331739994 /nfs/dbraw/zinc/73/99/94/331739994.db2.gz FOFYEFTWQPKHRZ-UHFFFAOYSA-N 2 1 278.440 3.722 20 0 CHADMP CC(C)(C[NH2+]Cc1ccccc1Cl)C[NH+]1CCCC1 ZINC000480925287 331791724 /nfs/dbraw/zinc/79/17/24/331791724.db2.gz HQIGLPUUTONKNE-UHFFFAOYSA-N 2 1 280.843 3.552 20 0 CHADMP C[C@H]1C[C@@H]1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000488414450 332005501 /nfs/dbraw/zinc/00/55/01/332005501.db2.gz FDNSSRUNMYGHDN-JTDSTZFVSA-N 2 1 286.463 3.664 20 0 CHADMP CC(C)C1CC([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000488432139 332007626 /nfs/dbraw/zinc/00/76/26/332007626.db2.gz LQDUWIZUWOLOCU-GTPINHCMSA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)C1CC([NH2+]CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000488432141 332007790 /nfs/dbraw/zinc/00/77/90/332007790.db2.gz LQDUWIZUWOLOCU-KLAILNCOSA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)[C@H]1CCC[NH+]1CCC[N@@H+]1CCC[C@@H]1C(C)C ZINC000488722392 332022636 /nfs/dbraw/zinc/02/26/36/332022636.db2.gz GSJNYQBQBQQZBG-IAGOWNOFSA-N 2 1 266.473 3.617 20 0 CHADMP CN1CCC[C@H](C[N@@H+](C)[C@@H]2CCc3c2cccc3Cl)C1 ZINC000489839741 332069947 /nfs/dbraw/zinc/06/99/47/332069947.db2.gz UWZBWUQRUGSDPK-SUMWQHHRSA-N 2 1 292.854 3.601 20 0 CHADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCc2c1cccc2Cl ZINC000489839741 332069948 /nfs/dbraw/zinc/06/99/48/332069948.db2.gz UWZBWUQRUGSDPK-SUMWQHHRSA-N 2 1 292.854 3.601 20 0 CHADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCc2c1cccc2Cl ZINC000489839741 332069949 /nfs/dbraw/zinc/06/99/49/332069949.db2.gz UWZBWUQRUGSDPK-SUMWQHHRSA-N 2 1 292.854 3.601 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000575632045 335108603 /nfs/dbraw/zinc/10/86/03/335108603.db2.gz JXGUQIGWVWNGGI-HZPDHXFCSA-N 2 1 262.441 3.500 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000575632045 335108604 /nfs/dbraw/zinc/10/86/04/335108604.db2.gz JXGUQIGWVWNGGI-HZPDHXFCSA-N 2 1 262.441 3.500 20 0 CHADMP Cc1cc([C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)oc1C ZINC000502454012 332660808 /nfs/dbraw/zinc/66/08/08/332660808.db2.gz RAGHRVZUTKBASK-AWEZNQCLSA-N 2 1 278.440 3.669 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)oc1C ZINC000502695813 332669122 /nfs/dbraw/zinc/66/91/22/332669122.db2.gz AMCBSOUINIMWSO-ZFWWWQNUSA-N 2 1 278.440 3.669 20 0 CHADMP C1=CC[C@@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000513411450 333017892 /nfs/dbraw/zinc/01/78/92/333017892.db2.gz MWUHPMQRYQESRL-MOPGFXCFSA-N 2 1 290.495 3.931 20 0 CHADMP C1=CC[C@H](C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000513411452 333017941 /nfs/dbraw/zinc/01/79/41/333017941.db2.gz MWUHPMQRYQESRL-RBUKOAKNSA-N 2 1 290.495 3.931 20 0 CHADMP C[NH+](C)[C@H](C[NH2+]C1CCC(C(C)(C)C)CC1)C1CC1 ZINC000513613520 333026611 /nfs/dbraw/zinc/02/66/11/333026611.db2.gz QEUQSKFZCVJPJL-UYSNPLJNSA-N 2 1 266.473 3.521 20 0 CHADMP CC(C)CC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CCC1 ZINC000513697427 333033101 /nfs/dbraw/zinc/03/31/01/333033101.db2.gz NNDXPTVZOQICAB-BRWVUGGUSA-N 2 1 278.484 3.665 20 0 CHADMP C[C@H]([NH2+]CC1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309684556 333047137 /nfs/dbraw/zinc/04/71/37/333047137.db2.gz AMDYVXMJIBGBBB-QFBILLFUSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCC1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309710272 333047523 /nfs/dbraw/zinc/04/75/23/333047523.db2.gz JSMRFEBMYZTONT-RYQLBKOJSA-N 2 1 286.463 3.675 20 0 CHADMP CCCc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000514005070 333059467 /nfs/dbraw/zinc/05/94/67/333059467.db2.gz AMZQAKNFGRXROH-UHFFFAOYSA-N 2 1 288.479 3.944 20 0 CHADMP CC1(C)C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000178476591 333073790 /nfs/dbraw/zinc/07/37/90/333073790.db2.gz LTLLRPMCKQYMQP-SFHVURJKSA-N 2 1 284.447 3.625 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC(C)=C[C@H](C)C2)C1 ZINC000520904364 333107599 /nfs/dbraw/zinc/10/75/99/333107599.db2.gz IFKGARGEQJPPAS-SZMVWBNQSA-N 2 1 278.484 3.643 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CC(C)=C[C@H](C)C2)C1 ZINC000520904364 333107600 /nfs/dbraw/zinc/10/76/00/333107600.db2.gz IFKGARGEQJPPAS-SZMVWBNQSA-N 2 1 278.484 3.643 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CC(C)=C[C@H](C)C2)C1 ZINC000520904364 333107602 /nfs/dbraw/zinc/10/76/02/333107602.db2.gz IFKGARGEQJPPAS-SZMVWBNQSA-N 2 1 278.484 3.643 20 0 CHADMP CCc1oc2ccccc2c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336853001 335121458 /nfs/dbraw/zinc/12/14/58/335121458.db2.gz BYAUMLSXXMVKPM-GJZGRUSLSA-N 2 1 298.430 3.712 20 0 CHADMP CCc1oc2ccccc2c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336853001 335121461 /nfs/dbraw/zinc/12/14/61/335121461.db2.gz BYAUMLSXXMVKPM-GJZGRUSLSA-N 2 1 298.430 3.712 20 0 CHADMP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1cncc(C)c1 ZINC000184340668 333127015 /nfs/dbraw/zinc/12/70/15/333127015.db2.gz BIDLCZAATHRFCR-INIZCTEOSA-N 2 1 277.456 3.553 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CCN(c2c(C)c[nH+]c3c(C)cccc32)C1 ZINC000185330878 333138621 /nfs/dbraw/zinc/13/86/21/333138621.db2.gz ZQBMTJPFSDVJDV-INIZCTEOSA-N 2 1 297.446 3.630 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000226336075 333257243 /nfs/dbraw/zinc/25/72/43/333257243.db2.gz LOTZSMZBNFGNKJ-UHFFFAOYSA-N 2 1 294.870 3.906 20 0 CHADMP C[C@H](c1ccc(F)cc1)[N@H+](C)CCC[NH+]1CCCCC1 ZINC000195632300 333258144 /nfs/dbraw/zinc/25/81/44/333258144.db2.gz ZIHNLYSEIGOQRV-OAHLLOKOSA-N 2 1 278.415 3.695 20 0 CHADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000195632300 333258146 /nfs/dbraw/zinc/25/81/46/333258146.db2.gz ZIHNLYSEIGOQRV-OAHLLOKOSA-N 2 1 278.415 3.695 20 0 CHADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(F)cc1F ZINC000522546475 333289509 /nfs/dbraw/zinc/28/95/09/333289509.db2.gz NQPPCBDILBSTRM-LRDDRELGSA-N 2 1 298.421 3.982 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2C[C@H](C)Sc3sccc32)C1 ZINC000250341662 333304485 /nfs/dbraw/zinc/30/44/85/333304485.db2.gz PXDPUMRDVMYDQR-OBJOEFQTSA-N 2 1 296.505 3.605 20 0 CHADMP Cc1ccc([C@H]2C[C@H](C)[N@@H+](CCCc3c[nH+]cn3C)C2)cc1 ZINC000575931930 335132952 /nfs/dbraw/zinc/13/29/52/335132952.db2.gz RWFRLGDCNRAZDY-WMZOPIPTSA-N 2 1 297.446 3.539 20 0 CHADMP Cc1ccc([C@H]2C[C@H](C)[N@H+](CCCc3c[nH+]cn3C)C2)cc1 ZINC000575931930 335132953 /nfs/dbraw/zinc/13/29/53/335132953.db2.gz RWFRLGDCNRAZDY-WMZOPIPTSA-N 2 1 297.446 3.539 20 0 CHADMP C[C@@H]1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000230406227 333317561 /nfs/dbraw/zinc/31/75/61/333317561.db2.gz OIQVJKOUFZAEPK-AEFFLSMTSA-N 2 1 286.463 3.677 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](CC(C)C)C2)CC1 ZINC000230770147 333321615 /nfs/dbraw/zinc/32/16/15/333321615.db2.gz YXTWKSQHRJCEJK-DOTOQJQBSA-N 2 1 266.473 3.665 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3ccccc3)cc2)C1 ZINC000237179037 333378071 /nfs/dbraw/zinc/37/80/71/333378071.db2.gz XOSSCNLCYVWGMP-SFHVURJKSA-N 2 1 294.442 3.785 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000237681579 333380790 /nfs/dbraw/zinc/38/07/90/333380790.db2.gz MKMRHUFQZWUGTC-IYBDPMFKSA-N 2 1 299.462 3.626 20 0 CHADMP CC(C)C1([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000575987812 335138898 /nfs/dbraw/zinc/13/88/98/335138898.db2.gz LFUXVWGLPAWMGZ-GOSISDBHSA-N 2 1 298.474 3.962 20 0 CHADMP CC(C)C1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000575987812 335138899 /nfs/dbraw/zinc/13/88/99/335138899.db2.gz LFUXVWGLPAWMGZ-GOSISDBHSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@H](C[NH2+][C@@H](C)c1ccccc1Cl)C[NH+]1CCCC1 ZINC000062078042 333541752 /nfs/dbraw/zinc/54/17/52/333541752.db2.gz DNFCWWHPNCRSSS-KGLIPLIRSA-N 2 1 280.843 3.723 20 0 CHADMP C[C@H](C[NH2+]Cc1cc2ccccc2o1)C[NH+]1CCCCC1 ZINC000037997591 333544042 /nfs/dbraw/zinc/54/40/42/333544042.db2.gz NISMQSBLJOMIBQ-OAHLLOKOSA-N 2 1 286.419 3.644 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000130160740 333820544 /nfs/dbraw/zinc/82/05/44/333820544.db2.gz RRQNLSSNENOAML-JSGCOSHPSA-N 2 1 298.521 3.995 20 0 CHADMP C[C@H](CC[NH2+][C@@H](C)c1ccc(F)c(F)c1)[NH+]1CCCCC1 ZINC000542486434 333827602 /nfs/dbraw/zinc/82/76/02/333827602.db2.gz IUZQCPYKWBVHPN-KGLIPLIRSA-N 2 1 296.405 3.880 20 0 CHADMP CC[C@H]1CCC[C@@H]([NH2+]CC[NH+](C(C)C)C(C)C)C1 ZINC000071104569 333843476 /nfs/dbraw/zinc/84/34/76/333843476.db2.gz LETLOWANXVAFTC-JKSUJKDBSA-N 2 1 254.462 3.664 20 0 CHADMP CC[NH+](CC)CCCC1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000542965641 333851193 /nfs/dbraw/zinc/85/11/93/333851193.db2.gz PZKIVOXXTVYZPC-UHFFFAOYSA-N 2 1 289.467 3.728 20 0 CHADMP CCc1ccc(C[NH2+]Cc2cccc(C[N@H+](C)CC)c2)o1 ZINC000132803564 334005800 /nfs/dbraw/zinc/00/58/00/334005800.db2.gz UKTAHXLSVJVXRS-UHFFFAOYSA-N 2 1 286.419 3.584 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000546166155 334017837 /nfs/dbraw/zinc/01/78/37/334017837.db2.gz HMAVMKMHARSIKG-SPYBWZPUSA-N 2 1 286.463 3.699 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000546166155 334017839 /nfs/dbraw/zinc/01/78/39/334017839.db2.gz HMAVMKMHARSIKG-SPYBWZPUSA-N 2 1 286.463 3.699 20 0 CHADMP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000564318907 334083932 /nfs/dbraw/zinc/08/39/32/334083932.db2.gz LRSUCJQEEYJEIQ-FGTMMUONSA-N 2 1 280.500 3.911 20 0 CHADMP CCC[N@H+](C/C=C/c1ccc(F)cc1)CCC[NH+](C)C ZINC000564322413 334092934 /nfs/dbraw/zinc/09/29/34/334092934.db2.gz MSLZUMXSSCDKHT-FNORWQNLSA-N 2 1 278.415 3.503 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000246929731 334272007 /nfs/dbraw/zinc/27/20/07/334272007.db2.gz GYWNOWXZVBSEIZ-KDOFPFPSSA-N 2 1 290.426 3.523 20 0 CHADMP CCCC[C@@H](CC)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000549840273 334206382 /nfs/dbraw/zinc/20/63/82/334206382.db2.gz FXRYJTYAXHIQCL-IAGOWNOFSA-N 2 1 266.473 3.621 20 0 CHADMP CCCC[C@@H](CC)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000549840273 334206383 /nfs/dbraw/zinc/20/63/83/334206383.db2.gz FXRYJTYAXHIQCL-IAGOWNOFSA-N 2 1 266.473 3.621 20 0 CHADMP CCCC[C@@H](CC)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000549840273 334206385 /nfs/dbraw/zinc/20/63/85/334206385.db2.gz FXRYJTYAXHIQCL-IAGOWNOFSA-N 2 1 266.473 3.621 20 0 CHADMP CCC[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000245608247 334207004 /nfs/dbraw/zinc/20/70/04/334207004.db2.gz AEAIYUVPPROGOL-UHOSZYNNSA-N 2 1 288.479 3.985 20 0 CHADMP CCC[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000245608247 334207006 /nfs/dbraw/zinc/20/70/06/334207006.db2.gz AEAIYUVPPROGOL-UHOSZYNNSA-N 2 1 288.479 3.985 20 0 CHADMP CCC[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000245608247 334207008 /nfs/dbraw/zinc/20/70/08/334207008.db2.gz AEAIYUVPPROGOL-UHOSZYNNSA-N 2 1 288.479 3.985 20 0 CHADMP CCC[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000245608247 334207009 /nfs/dbraw/zinc/20/70/09/334207009.db2.gz AEAIYUVPPROGOL-UHOSZYNNSA-N 2 1 288.479 3.985 20 0 CHADMP CC(C)c1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000245623462 334208118 /nfs/dbraw/zinc/20/81/18/334208118.db2.gz XMTDWBOBQPCFOY-GPMSIDNRSA-N 2 1 288.479 3.813 20 0 CHADMP CC(C)c1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000245623462 334208119 /nfs/dbraw/zinc/20/81/19/334208119.db2.gz XMTDWBOBQPCFOY-GPMSIDNRSA-N 2 1 288.479 3.813 20 0 CHADMP CCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245697739 334213254 /nfs/dbraw/zinc/21/32/54/334213254.db2.gz LHTDHGRKBLWGSY-LDLYASANSA-N 2 1 298.474 3.962 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]CC2CCCC2)C[C@H]1c1ccccc1 ZINC000550621562 334225429 /nfs/dbraw/zinc/22/54/29/334225429.db2.gz BIQWBAPECXCWNR-MSOLQXFVSA-N 2 1 272.436 3.602 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CC2CCCC2)C[C@H]1c1ccccc1 ZINC000550621562 334225430 /nfs/dbraw/zinc/22/54/30/334225430.db2.gz BIQWBAPECXCWNR-MSOLQXFVSA-N 2 1 272.436 3.602 20 0 CHADMP CC(C)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550700833 334227005 /nfs/dbraw/zinc/22/70/05/334227005.db2.gz OVAOZLMZAYSRAK-SZMVWBNQSA-N 2 1 274.452 3.846 20 0 CHADMP CC(C)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550700833 334227007 /nfs/dbraw/zinc/22/70/07/334227007.db2.gz OVAOZLMZAYSRAK-SZMVWBNQSA-N 2 1 274.452 3.846 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC3CCC2CC3)C[C@H]1c1ccccc1 ZINC000550754684 334228487 /nfs/dbraw/zinc/22/84/87/334228487.db2.gz ZLPKLMJQJGVWHH-FUODXZFOSA-N 2 1 298.474 3.990 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC3CCC2CC3)C[C@H]1c1ccccc1 ZINC000550754684 334228488 /nfs/dbraw/zinc/22/84/88/334228488.db2.gz ZLPKLMJQJGVWHH-FUODXZFOSA-N 2 1 298.474 3.990 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000550940886 334234576 /nfs/dbraw/zinc/23/45/76/334234576.db2.gz ZMIMMUOYSJRNQM-BJMVHTGZSA-N 2 1 286.463 3.675 20 0 CHADMP CCC[N@@H+](CCC[NH+](CC)CC)Cc1ccccc1 ZINC000551358884 334247584 /nfs/dbraw/zinc/24/75/84/334247584.db2.gz SZNXVNRLVCZEFW-UHFFFAOYSA-N 2 1 262.441 3.631 20 0 CHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+]([C@@H]2C=CCCC2)C1 ZINC000246294909 334249133 /nfs/dbraw/zinc/24/91/33/334249133.db2.gz DPELGTRYVSRELT-KZNAEPCWSA-N 2 1 276.468 3.682 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000246294909 334249134 /nfs/dbraw/zinc/24/91/34/334249134.db2.gz DPELGTRYVSRELT-KZNAEPCWSA-N 2 1 276.468 3.682 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000246294909 334249135 /nfs/dbraw/zinc/24/91/35/334249135.db2.gz DPELGTRYVSRELT-KZNAEPCWSA-N 2 1 276.468 3.682 20 0 CHADMP CCC(CC)(CC)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000246402662 334256192 /nfs/dbraw/zinc/25/61/92/334256192.db2.gz LVKQHCFORLIKBF-QLFBSQMISA-N 2 1 254.462 3.521 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCC2(C)C)C1 ZINC000551793748 334261685 /nfs/dbraw/zinc/26/16/85/334261685.db2.gz PUKVECNOBLEDSJ-OWCLPIDISA-N 2 1 266.473 3.523 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccc(F)cc2)C2CCC2)CC[N@@H+]1C ZINC000247129744 334276297 /nfs/dbraw/zinc/27/62/97/334276297.db2.gz VJGSYXYIDXRCRA-BVGQSLNGSA-N 2 1 290.426 3.739 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccc(F)cc2)C2CCC2)CC[N@H+]1C ZINC000247129744 334276299 /nfs/dbraw/zinc/27/62/99/334276299.db2.gz VJGSYXYIDXRCRA-BVGQSLNGSA-N 2 1 290.426 3.739 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc3ccccc32)[C@@H](C)C1 ZINC000246825781 334270098 /nfs/dbraw/zinc/27/00/98/334270098.db2.gz AFIUOJWIYIHLPQ-HNAYVOBHSA-N 2 1 282.431 3.660 20 0 CHADMP CCC[C@H](C)[C@H](CC)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000246856328 334270683 /nfs/dbraw/zinc/27/06/83/334270683.db2.gz BSIZYJQXWABHGE-DZKIICNBSA-N 2 1 265.445 3.632 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1(C)CC1 ZINC000247219909 334277789 /nfs/dbraw/zinc/27/77/89/334277789.db2.gz WILCCYCJJUFVPE-JFIYKMOQSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1(C)CC1 ZINC000247219909 334277791 /nfs/dbraw/zinc/27/77/91/334277791.db2.gz WILCCYCJJUFVPE-JFIYKMOQSA-N 2 1 286.463 3.818 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC000247468588 334281938 /nfs/dbraw/zinc/28/19/38/334281938.db2.gz JALBJTIIRWFHGH-HUUCEWRRSA-N 2 1 278.415 3.550 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)c2cccc(F)c2)C1 ZINC000247468588 334281940 /nfs/dbraw/zinc/28/19/40/334281940.db2.gz JALBJTIIRWFHGH-HUUCEWRRSA-N 2 1 278.415 3.550 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000247967740 334292477 /nfs/dbraw/zinc/29/24/77/334292477.db2.gz FATHSGGOIZHWPB-OALUTQOASA-N 2 1 286.463 3.568 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000247967740 334292479 /nfs/dbraw/zinc/29/24/79/334292479.db2.gz FATHSGGOIZHWPB-OALUTQOASA-N 2 1 286.463 3.568 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2=CCCCCC2)[C@@H](C)C1 ZINC000248758689 334316572 /nfs/dbraw/zinc/31/65/72/334316572.db2.gz VPBCJWIWSSZWSA-DOTOQJQBSA-N 2 1 264.457 3.587 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000552324909 334317174 /nfs/dbraw/zinc/31/71/74/334317174.db2.gz MOKHSSATWKATFR-FTWQHDNSSA-N 2 1 284.447 3.570 20 0 CHADMP C(C[NH+]1CCCCC1)C[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000249319603 334331985 /nfs/dbraw/zinc/33/19/85/334331985.db2.gz FYGJSYCMNMOEAN-DLBZAZTESA-N 2 1 264.457 3.517 20 0 CHADMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000249319603 334331987 /nfs/dbraw/zinc/33/19/87/334331987.db2.gz FYGJSYCMNMOEAN-DLBZAZTESA-N 2 1 264.457 3.517 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000552745272 334343829 /nfs/dbraw/zinc/34/38/29/334343829.db2.gz MNDBJGGHXWOSMR-KBXCAEBGSA-N 2 1 290.426 3.598 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000552745275 334343837 /nfs/dbraw/zinc/34/38/37/334343837.db2.gz MNDBJGGHXWOSMR-RDTXWAMCSA-N 2 1 290.426 3.598 20 0 CHADMP Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000251205166 334358165 /nfs/dbraw/zinc/35/81/65/334358165.db2.gz WGPFRQYEUVPRHV-UHOSZYNNSA-N 2 1 286.463 3.533 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C2CC2)cc1 ZINC000251509588 334362504 /nfs/dbraw/zinc/36/25/04/334362504.db2.gz ZIGFLVWAWFEWRG-QYZOEREBSA-N 2 1 284.447 3.663 20 0 CHADMP CC[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)C1 ZINC000251631845 334365835 /nfs/dbraw/zinc/36/58/35/334365835.db2.gz FMXDZQUFTILFQK-BRWVUGGUSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@@H]1C[C@H](N[C@H]2CCCc3sc(Cl)cc32)CC[N@@H+]1C ZINC000251747051 334368584 /nfs/dbraw/zinc/36/85/84/334368584.db2.gz CZWHYRMAOUYXCF-WZRBSPASSA-N 2 1 298.883 3.851 20 0 CHADMP C[C@@H]1C[C@H](N[C@H]2CCCc3sc(Cl)cc32)CC[N@H+]1C ZINC000251747051 334368586 /nfs/dbraw/zinc/36/85/86/334368586.db2.gz CZWHYRMAOUYXCF-WZRBSPASSA-N 2 1 298.883 3.851 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000091320991 334376254 /nfs/dbraw/zinc/37/62/54/334376254.db2.gz WTIMKTRUGABYJV-DNVCBOLYSA-N 2 1 297.446 3.877 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(CC(C)C)cc2)C1 ZINC000252439587 334380117 /nfs/dbraw/zinc/38/01/17/334380117.db2.gz QIKIPVNJQLYJAN-SJLPKXTDSA-N 2 1 288.479 3.878 20 0 CHADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252699558 334385795 /nfs/dbraw/zinc/38/57/95/334385795.db2.gz UUGHBUDXMHIMDE-KFWWJZLASA-N 2 1 274.452 3.714 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c2ccccc21 ZINC000252716318 334386225 /nfs/dbraw/zinc/38/62/25/334386225.db2.gz YDGFBBCVXJRJTD-KNCCTNLNSA-N 2 1 272.436 3.555 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c2ccccc21 ZINC000252716318 334386227 /nfs/dbraw/zinc/38/62/27/334386227.db2.gz YDGFBBCVXJRJTD-KNCCTNLNSA-N 2 1 272.436 3.555 20 0 CHADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccccc32)c2ccccc21 ZINC000252751787 334390178 /nfs/dbraw/zinc/39/01/78/334390178.db2.gz AGNDVKUMZFMNQG-CEXWTWQISA-N 2 1 278.399 3.798 20 0 CHADMP CC[C@H](C)C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000093075588 334442584 /nfs/dbraw/zinc/44/25/84/334442584.db2.gz BFXKGCQAHACPCG-JKSUJKDBSA-N 2 1 274.452 3.848 20 0 CHADMP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000564822642 334522538 /nfs/dbraw/zinc/52/25/38/334522538.db2.gz KSISLQKXBVDMIM-GFCCVEGCSA-N 2 1 297.512 3.788 20 0 CHADMP CCCC[C@H](C)[C@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000566729358 334662057 /nfs/dbraw/zinc/66/20/57/334662057.db2.gz JFEQGEXBOAFDAT-KKUMJFAQSA-N 2 1 265.445 3.632 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000164651357 334885092 /nfs/dbraw/zinc/88/50/92/334885092.db2.gz MMDAXSOHEAVNOB-CYBMUJFWSA-N 2 1 291.826 3.976 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C(C2CCC2)C2CCC2)C1 ZINC000580585773 335292349 /nfs/dbraw/zinc/29/23/49/335292349.db2.gz WBISEUZFOXLKDT-INIZCTEOSA-N 2 1 292.511 3.913 20 0 CHADMP C[C@@H]1C[C@H](CC[NH2+]CC2(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000577328105 335338987 /nfs/dbraw/zinc/33/89/87/335338987.db2.gz ONFLQNDNDJTHII-AEFFLSMTSA-N 2 1 286.463 3.677 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)C1CCCCC1 ZINC000177370773 335371079 /nfs/dbraw/zinc/37/10/79/335371079.db2.gz VCCULXFVMXISIH-CQSZACIVSA-N 2 1 263.429 3.530 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]CC3CCCCC3)C2)cc1 ZINC000380934506 336039818 /nfs/dbraw/zinc/03/98/18/336039818.db2.gz IPECWQNJYLKFST-LJQANCHMSA-N 2 1 286.463 3.678 20 0 CHADMP C[NH+](C)C1(C[NH2+][C@H]2CCCC23CCCC3)CCCC1 ZINC000380933911 336040028 /nfs/dbraw/zinc/04/00/28/336040028.db2.gz PCQGMCVXJHQXHK-HNNXBMFYSA-N 2 1 264.457 3.563 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2CCCCC23CCCC3)CC1 ZINC000382261325 336085213 /nfs/dbraw/zinc/08/52/13/336085213.db2.gz ABRYMEQHCGRECX-MRXNPFEDSA-N 2 1 264.457 3.563 20 0 CHADMP C([NH2+][C@@H]1CCCCC12CCCC2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000383737598 336117329 /nfs/dbraw/zinc/11/73/29/336117329.db2.gz ADNAIXZZBIWMTQ-DOTOQJQBSA-N 2 1 276.468 3.563 20 0 CHADMP C[C@H]1C[C@@H]([N@@H+](C)CCC2CCCCCC2)CCN1C ZINC000581778400 336145802 /nfs/dbraw/zinc/14/58/02/336145802.db2.gz LXHDXMQXOHFMQY-RDJZCZTQSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)CCC2CCCCCC2)CC[N@@H+]1C ZINC000581778400 336145803 /nfs/dbraw/zinc/14/58/03/336145803.db2.gz LXHDXMQXOHFMQY-RDJZCZTQSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)CCC2CCCCCC2)CC[N@H+]1C ZINC000581778400 336145804 /nfs/dbraw/zinc/14/58/04/336145804.db2.gz LXHDXMQXOHFMQY-RDJZCZTQSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@H]1C[C@@H]([N@H+](C)CCC2CCCCCC2)CC[NH+]1C ZINC000581778400 336145805 /nfs/dbraw/zinc/14/58/05/336145805.db2.gz LXHDXMQXOHFMQY-RDJZCZTQSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@H]1C[C@@H]([N@@H+](C)CCC2CCCCCC2)CC[NH+]1C ZINC000581778400 336145806 /nfs/dbraw/zinc/14/58/06/336145806.db2.gz LXHDXMQXOHFMQY-RDJZCZTQSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@H](CCC(C)(C)C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352750032 533810708 /nfs/dbraw/zinc/81/07/08/533810708.db2.gz ORTLFRWVFJKMGT-GFCCVEGCSA-N 2 1 283.485 3.509 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000192926588 533877951 /nfs/dbraw/zinc/87/79/51/533877951.db2.gz IVOUAYIJSVJHHE-NEWSRXKRSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000354827964 534058645 /nfs/dbraw/zinc/05/86/45/534058645.db2.gz HCZJHYPSYYXKDE-CPUCHLNUSA-N 2 1 290.426 3.618 20 0 CHADMP C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000354827964 534058649 /nfs/dbraw/zinc/05/86/49/534058649.db2.gz HCZJHYPSYYXKDE-CPUCHLNUSA-N 2 1 290.426 3.618 20 0 CHADMP C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000354827964 534058657 /nfs/dbraw/zinc/05/86/57/534058657.db2.gz HCZJHYPSYYXKDE-CPUCHLNUSA-N 2 1 290.426 3.618 20 0 CHADMP C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000354827964 534058661 /nfs/dbraw/zinc/05/86/61/534058661.db2.gz HCZJHYPSYYXKDE-CPUCHLNUSA-N 2 1 290.426 3.618 20 0 CHADMP CSc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000353656400 534203016 /nfs/dbraw/zinc/20/30/16/534203016.db2.gz RAAIEMQLSLWEFU-INIZCTEOSA-N 2 1 292.492 3.715 20 0 CHADMP CSc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000353656400 534203021 /nfs/dbraw/zinc/20/30/21/534203021.db2.gz RAAIEMQLSLWEFU-INIZCTEOSA-N 2 1 292.492 3.715 20 0 CHADMP CSc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000353656400 534203030 /nfs/dbraw/zinc/20/30/30/534203030.db2.gz RAAIEMQLSLWEFU-INIZCTEOSA-N 2 1 292.492 3.715 20 0 CHADMP CSc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000353656400 534203038 /nfs/dbraw/zinc/20/30/38/534203038.db2.gz RAAIEMQLSLWEFU-INIZCTEOSA-N 2 1 292.492 3.715 20 0 CHADMP Cc1ccncc1C[NH2+]C(C)(C)CC[NH+]1CCCCCC1 ZINC000354638465 534416300 /nfs/dbraw/zinc/41/63/00/534416300.db2.gz QNPZKUBJIXLEQN-UHFFFAOYSA-N 2 1 289.467 3.524 20 0 CHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccccc2F)C1 ZINC000125718691 519678091 /nfs/dbraw/zinc/67/80/91/519678091.db2.gz PXNFCIIAOOYWLG-LSDHHAIUSA-N 2 1 278.415 3.597 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccccc2F)C1 ZINC000125718691 519678093 /nfs/dbraw/zinc/67/80/93/519678093.db2.gz PXNFCIIAOOYWLG-LSDHHAIUSA-N 2 1 278.415 3.597 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC000280173478 521579853 /nfs/dbraw/zinc/57/98/53/521579853.db2.gz GFDMJSFDQHUDAN-MAUKXSAKSA-N 2 1 290.426 3.536 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@@H+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000277085301 522044174 /nfs/dbraw/zinc/04/41/74/522044174.db2.gz FOILBNAZSJPBDD-DYVFJYSZSA-N 2 1 292.854 3.743 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@H+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000277085301 522044186 /nfs/dbraw/zinc/04/41/86/522044186.db2.gz FOILBNAZSJPBDD-DYVFJYSZSA-N 2 1 292.854 3.743 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@H+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000277340276 522097526 /nfs/dbraw/zinc/09/75/26/522097526.db2.gz WBACWUHTIZXAOD-FUHWJXTLSA-N 2 1 290.426 3.619 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+](Cc1ccoc1)C1CCCCC1 ZINC000340371803 523846431 /nfs/dbraw/zinc/84/64/31/523846431.db2.gz MBUOFVXQLMQLRI-KRWDZBQOSA-N 2 1 290.451 3.899 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+](Cc1ccoc1)C1CCCCC1 ZINC000340371803 523846438 /nfs/dbraw/zinc/84/64/38/523846438.db2.gz MBUOFVXQLMQLRI-KRWDZBQOSA-N 2 1 290.451 3.899 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1ccoc1)C1CCCCC1 ZINC000340371803 523846443 /nfs/dbraw/zinc/84/64/43/523846443.db2.gz MBUOFVXQLMQLRI-KRWDZBQOSA-N 2 1 290.451 3.899 20 0 CHADMP CC[C@H](C)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000339407568 523878819 /nfs/dbraw/zinc/87/88/19/523878819.db2.gz PJBGPZYOEOCWOH-GOEBONIOSA-N 2 1 292.492 3.738 20 0 CHADMP CCc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)o1 ZINC000130323042 523943333 /nfs/dbraw/zinc/94/33/33/523943333.db2.gz JZAHKNZZKRUJDQ-UHFFFAOYSA-N 2 1 298.430 3.728 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1 ZINC000037140882 525292422 /nfs/dbraw/zinc/29/24/22/525292422.db2.gz YVKAAXWNHBRWHO-LBPRGKRZSA-N 2 1 278.827 3.617 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)s1 ZINC000036992241 525298703 /nfs/dbraw/zinc/29/87/03/525298703.db2.gz SQRPXVKTRRNXAM-YEJSDXFRSA-N 2 1 284.856 3.677 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)s1 ZINC000036992241 525298712 /nfs/dbraw/zinc/29/87/12/525298712.db2.gz SQRPXVKTRRNXAM-YEJSDXFRSA-N 2 1 284.856 3.677 20 0 CHADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000280310616 525423811 /nfs/dbraw/zinc/42/38/11/525423811.db2.gz ORONSHGJNBYESD-ZIAGYGMSSA-N 2 1 292.854 3.684 20 0 CHADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H](C)c1ccc(Cl)cc1 ZINC000280310615 525424538 /nfs/dbraw/zinc/42/45/38/525424538.db2.gz ORONSHGJNBYESD-UONOGXRCSA-N 2 1 292.854 3.684 20 0 CHADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1nccc2ccccc21 ZINC000290710541 525613029 /nfs/dbraw/zinc/61/30/29/525613029.db2.gz NWQOKUWXXMBAEB-XIRDDKMYSA-N 2 1 297.446 3.758 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)s1 ZINC000088164248 525721848 /nfs/dbraw/zinc/72/18/48/525721848.db2.gz VJIRZRITLXGLGP-FFHGMXDLSA-N 2 1 278.465 3.722 20 0 CHADMP Clc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000037408191 526947596 /nfs/dbraw/zinc/94/75/96/526947596.db2.gz ZDNIGEUVBALAAV-GFCCVEGCSA-N 2 1 299.245 3.567 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2CCC2)cc1 ZINC000157523875 527382570 /nfs/dbraw/zinc/38/25/70/527382570.db2.gz QCYOMSHVELWAFM-ZDUSSCGKSA-N 2 1 269.392 3.631 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](C(C)C)[C@@H](C)c1ccccc1 ZINC000292387107 527425190 /nfs/dbraw/zinc/42/51/90/527425190.db2.gz ZNINGGXSEVNBEV-HNNXBMFYSA-N 2 1 271.408 3.663 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](C(C)C)[C@@H](C)c1ccccc1 ZINC000292387107 527425195 /nfs/dbraw/zinc/42/51/95/527425195.db2.gz ZNINGGXSEVNBEV-HNNXBMFYSA-N 2 1 271.408 3.663 20 0 CHADMP Cn1cc[nH+]c1CC1CC[NH+](CCCC(C)(C)C)CC1 ZINC000337132553 527426580 /nfs/dbraw/zinc/42/65/80/527426580.db2.gz KIQUFXIKYFTIBZ-UHFFFAOYSA-N 2 1 277.456 3.501 20 0 CHADMP C(C1CCC1)[NH+]1CCCC2(CCC[N@H+](CC3CCC3)C2)C1 ZINC000352029890 527475281 /nfs/dbraw/zinc/47/52/81/527475281.db2.gz XVDFEWBNTJPUTK-UHFFFAOYSA-N 2 1 290.495 3.765 20 0 CHADMP CCC[N@@H+](Cc1ccc(Cl)cc1C)C1CC[NH2+]CC1 ZINC000347173449 528135082 /nfs/dbraw/zinc/13/50/82/528135082.db2.gz OSAMTEAVMWQVIG-UHFFFAOYSA-N 2 1 280.843 3.612 20 0 CHADMP CC[NH+](CC)[C@@H](C)C[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000353239398 528232271 /nfs/dbraw/zinc/23/22/71/528232271.db2.gz BKXIELSROUVONY-STQMWFEESA-N 2 1 276.415 3.520 20 0 CHADMP CC1CC[NH+](CCNc2cc[nH+]c3cc(F)ccc23)CC1 ZINC000354684090 528246495 /nfs/dbraw/zinc/24/64/95/528246495.db2.gz NCMACFCKOFXWOS-UHFFFAOYSA-N 2 1 287.382 3.518 20 0 CHADMP CC[N@H+](CC[NH2+][C@@H](C)C1CCC(F)(F)CC1)C(C)C ZINC000353227185 528514017 /nfs/dbraw/zinc/51/40/17/528514017.db2.gz AUEWQUHHGHWHHM-ZDUSSCGKSA-N 2 1 276.415 3.520 20 0 CHADMP CC[N@@H+](CC[NH2+][C@@H](C)C1CCC(F)(F)CC1)C(C)C ZINC000353227185 528514020 /nfs/dbraw/zinc/51/40/20/528514020.db2.gz AUEWQUHHGHWHHM-ZDUSSCGKSA-N 2 1 276.415 3.520 20 0 CHADMP CCCC[C@@H](CC)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352240547 528781473 /nfs/dbraw/zinc/78/14/73/528781473.db2.gz IHRDRWAMOUDYAC-CYBMUJFWSA-N 2 1 283.485 3.511 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCc1ccc(C)cc1 ZINC000191492945 528864468 /nfs/dbraw/zinc/86/44/68/528864468.db2.gz KPXSCXQBPDMCTD-UHFFFAOYSA-N 2 1 299.462 3.709 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCc1ccc(C)cc1 ZINC000191492945 528864472 /nfs/dbraw/zinc/86/44/72/528864472.db2.gz KPXSCXQBPDMCTD-UHFFFAOYSA-N 2 1 299.462 3.709 20 0 CHADMP CCCCc1oc2ccccc2c1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000347137617 529066319 /nfs/dbraw/zinc/06/63/19/529066319.db2.gz UWHGRJQTSQIELN-CQSZACIVSA-N 2 1 286.419 3.556 20 0 CHADMP CC[NH+](CC)C1CCN(c2[nH+]ccc3ccc(C)cc32)CC1 ZINC001165052640 722002577 /nfs/dbraw/zinc/00/25/77/722002577.db2.gz AYEQBYUOKVIXCK-UHFFFAOYSA-N 2 1 297.446 3.854 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000254975176 1117929637 /nfs/dbraw/zinc/92/96/37/1117929637.db2.gz PJVGRTMCCMTYEH-GXDHUFHOSA-N 2 1 293.282 3.749 20 0 CHADMP CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)C[NH+](CC)CC)CC1 ZINC000251678180 1125482748 /nfs/dbraw/zinc/48/27/48/1125482748.db2.gz HULUHDHVUWENBG-BZUAXINKSA-N 2 1 254.462 3.665 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccs1 ZINC000624120260 1117984699 /nfs/dbraw/zinc/98/46/99/1117984699.db2.gz VACWZPVSPSLYFC-KGLIPLIRSA-N 2 1 266.454 3.521 20 0 CHADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000193458733 1118067217 /nfs/dbraw/zinc/06/72/17/1118067217.db2.gz IVIVVGSUOHFUJH-CQSZACIVSA-N 2 1 266.454 3.617 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1c1cccs1 ZINC000193458733 1118067222 /nfs/dbraw/zinc/06/72/22/1118067222.db2.gz IVIVVGSUOHFUJH-CQSZACIVSA-N 2 1 266.454 3.617 20 0 CHADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC001648913644 1118770093 /nfs/dbraw/zinc/77/00/93/1118770093.db2.gz BXCMHHMSFGIKKZ-QZWWFDLISA-N 2 1 280.500 3.911 20 0 CHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC001648913644 1118770094 /nfs/dbraw/zinc/77/00/94/1118770094.db2.gz BXCMHHMSFGIKKZ-QZWWFDLISA-N 2 1 280.500 3.911 20 0 CHADMP C[N@H+](CC[NH2+][C@@H]1CCC[C@H]1CCCF)C1CCCCC1 ZINC000510731033 1118804486 /nfs/dbraw/zinc/80/44/86/1118804486.db2.gz FBIRFIZLKCIMCD-DOTOQJQBSA-N 2 1 284.463 3.759 20 0 CHADMP C[N@@H+](CC[NH2+][C@@H]1CCC[C@H]1CCCF)C1CCCCC1 ZINC000510731033 1118804490 /nfs/dbraw/zinc/80/44/90/1118804490.db2.gz FBIRFIZLKCIMCD-DOTOQJQBSA-N 2 1 284.463 3.759 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000685666185 1119650661 /nfs/dbraw/zinc/65/06/61/1119650661.db2.gz RTPAYXDSVMZAJJ-UONOGXRCSA-N 2 1 290.442 3.910 20 0 CHADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccs1 ZINC000414173957 1119926639 /nfs/dbraw/zinc/92/66/39/1119926639.db2.gz HCNHUKZGLHBFQE-ZIAGYGMSSA-N 2 1 266.454 3.521 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000193462244 1120572289 /nfs/dbraw/zinc/57/22/89/1120572289.db2.gz ZXBCDPPCZCQPAT-QGZVFWFLSA-N 2 1 260.425 3.555 20 0 CHADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCSCC1 ZINC000657874079 1120568974 /nfs/dbraw/zinc/56/89/74/1120568974.db2.gz YAUIBBQOKQCRKZ-CVEARBPZSA-N 2 1 284.513 3.516 20 0 CHADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCSCC1 ZINC000657874079 1120568977 /nfs/dbraw/zinc/56/89/77/1120568977.db2.gz YAUIBBQOKQCRKZ-CVEARBPZSA-N 2 1 284.513 3.516 20 0 CHADMP C(C[NH2+]C1CCCCC1)C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000228070011 1120610634 /nfs/dbraw/zinc/61/06/34/1120610634.db2.gz BGQXGPFZPCWYKF-NVXWUHKLSA-N 2 1 264.457 3.563 20 0 CHADMP CC[C@H](CC(F)F)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000662271892 1120915941 /nfs/dbraw/zinc/91/59/41/1120915941.db2.gz AYXOAPRFWKRZQM-CYBMUJFWSA-N 2 1 276.415 3.509 20 0 CHADMP CS[C@@H]1CCC[C@H]([NH2+]C[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001177441845 1121731875 /nfs/dbraw/zinc/73/18/75/1121731875.db2.gz JKYNWOOWGVDWQJ-TWMKSMIVSA-N 2 1 298.540 3.761 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](CC)C[C@@H]1CCCC[C@H]1C ZINC001181506322 1122059655 /nfs/dbraw/zinc/05/96/55/1122059655.db2.gz PYRGYUURUDAMIP-SJORKVTESA-N 2 1 268.489 3.867 20 0 CHADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@H](C)SC1)[NH+]1CCCC1 ZINC001199144875 1123021393 /nfs/dbraw/zinc/02/13/93/1123021393.db2.gz YDHRDJMQTNSMPZ-UAGQMJEPSA-N 2 1 298.540 3.761 20 0 CHADMP CC(C)[NH+](CC[NH2+][C@@H](C)C1CCC(F)(F)CC1)C(C)C ZINC000474067140 1123408520 /nfs/dbraw/zinc/40/85/20/1123408520.db2.gz RGWGDDASCFGDJG-AWEZNQCLSA-N 2 1 290.442 3.909 20 0 CHADMP CC[C@H](C)[C@@H](C)[N@@H+](CCCCn1ccnc1C)C1CC1 ZINC000120690206 1124968490 /nfs/dbraw/zinc/96/84/90/1124968490.db2.gz UGSNCYNWMJROPE-LSDHHAIUSA-N 2 1 277.456 3.871 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC2=CCCCC2)[C@@H](C)C1 ZINC000450559359 1125056642 /nfs/dbraw/zinc/05/66/42/1125056642.db2.gz FIFZRAIJFALMSX-RDJZCZTQSA-N 2 1 264.457 3.539 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)c(F)c1 ZINC000212784923 1125354416 /nfs/dbraw/zinc/35/44/16/1125354416.db2.gz MIRWXKCCARMSDT-NTZNESFSSA-N 2 1 284.806 3.612 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)c(F)c1 ZINC000212784923 1125354419 /nfs/dbraw/zinc/35/44/19/1125354419.db2.gz MIRWXKCCARMSDT-NTZNESFSSA-N 2 1 284.806 3.612 20 0 CHADMP CCCCC[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104666 1132128896 /nfs/dbraw/zinc/12/88/96/1132128896.db2.gz DXNBLHQMGQXSRT-JONQDZQNSA-N 2 1 252.446 3.560 20 0 CHADMP CC(C)[N@@H+](CCC[NH3+])C1CCC2(CCCCC2)CC1 ZINC001173115402 1132395776 /nfs/dbraw/zinc/39/57/76/1132395776.db2.gz YRJUMWGYJXTYNK-UHFFFAOYSA-N 2 1 266.473 3.939 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206641587 1132573259 /nfs/dbraw/zinc/57/32/59/1132573259.db2.gz ZHAMMSPZVANBIK-CQSZACIVSA-N 2 1 280.843 3.518 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205546061 1133586652 /nfs/dbraw/zinc/58/66/52/1133586652.db2.gz PVZHQAPKJYEGLZ-MJSXRHKHSA-N 2 1 270.436 3.666 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)s1 ZINC001205901011 1133629179 /nfs/dbraw/zinc/62/91/79/1133629179.db2.gz AMGLBUKCEKCVGL-UONOGXRCSA-N 2 1 280.481 3.650 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205980813 1125560896 /nfs/dbraw/zinc/56/08/96/1125560896.db2.gz AEWBEVXAUPCEQX-UIZHIOIMSA-N 2 1 266.473 3.820 20 0 CHADMP CC[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245733370 1125592220 /nfs/dbraw/zinc/59/22/20/1125592220.db2.gz QLIBEUKWDJTYOZ-OWLYRPNTSA-N 2 1 272.436 3.570 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccccc2C(C)(C)C)C1 ZINC000533638724 1125620466 /nfs/dbraw/zinc/62/04/66/1125620466.db2.gz MOPDLRMCLFBBSW-JKSUJKDBSA-N 2 1 288.479 3.977 20 0 CHADMP Cc1coc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000885922311 1125627570 /nfs/dbraw/zinc/62/75/70/1125627570.db2.gz ALHSZSQPHPXPPN-UHFFFAOYSA-N 2 1 286.419 3.718 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCSc3ccccc32)C1 ZINC000246966715 1125651985 /nfs/dbraw/zinc/65/19/85/1125651985.db2.gz IWIUELCGVBFJMW-HOCLYGCPSA-N 2 1 290.476 3.545 20 0 CHADMP c1ccc2c(c1)CC[C@H]2CC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118568981 1131231101 /nfs/dbraw/zinc/23/11/01/1131231101.db2.gz LUBKRPVNOYKFRS-SFHVURJKSA-N 2 1 298.474 3.572 20 0 CHADMP COc1ccsc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000248650522 1125673243 /nfs/dbraw/zinc/67/32/43/1125673243.db2.gz WSADGECZHKWZIU-ZIAGYGMSSA-N 2 1 296.480 3.528 20 0 CHADMP COc1ccsc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000248650522 1125673246 /nfs/dbraw/zinc/67/32/46/1125673246.db2.gz WSADGECZHKWZIU-ZIAGYGMSSA-N 2 1 296.480 3.528 20 0 CHADMP C[C@H]1C[N@@H+](CCCc2ccccc2Cl)CCC[C@H]1C[NH3+] ZINC001205981881 1125681671 /nfs/dbraw/zinc/68/16/71/1125681671.db2.gz IOAUJVKWCAEBRL-HOCLYGCPSA-N 2 1 294.870 3.579 20 0 CHADMP CC1(C)CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000571826164 1125691674 /nfs/dbraw/zinc/69/16/74/1125691674.db2.gz JRCPMZKRCPDRNB-JKSUJKDBSA-N 2 1 264.457 3.562 20 0 CHADMP Cc1[nH]c(C2CC[NH+](Cc3cccc(C)c3)CC2)[nH+]c1C ZINC000886669681 1125705157 /nfs/dbraw/zinc/70/51/57/1125705157.db2.gz CFEZFQBKPUGXFD-UHFFFAOYSA-N 2 1 283.419 3.715 20 0 CHADMP Cc1[nH]c(C2CC[NH+](Cc3ccccc3F)CC2)[nH+]c1C ZINC000886667465 1125705646 /nfs/dbraw/zinc/70/56/46/1125705646.db2.gz AWVKEQJNSIKSGR-UHFFFAOYSA-N 2 1 287.382 3.545 20 0 CHADMP Cc1[nH]c(C2CC[NH+](Cc3ccc(C)cc3)CC2)[nH+]c1C ZINC000886669949 1125705673 /nfs/dbraw/zinc/70/56/73/1125705673.db2.gz HFSWXDJVTIDXMP-UHFFFAOYSA-N 2 1 283.419 3.715 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1F ZINC000161680302 1125711204 /nfs/dbraw/zinc/71/12/04/1125711204.db2.gz NBCBXJZPQHWQFZ-WFASDCNBSA-N 2 1 298.833 3.862 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1F ZINC000161680302 1125711206 /nfs/dbraw/zinc/71/12/06/1125711206.db2.gz NBCBXJZPQHWQFZ-WFASDCNBSA-N 2 1 298.833 3.862 20 0 CHADMP C[C@H](C[N@H+]1CCC[C@H](CC[NH3+])C1)c1cccc(Cl)c1 ZINC000261912844 1125745397 /nfs/dbraw/zinc/74/53/97/1125745397.db2.gz JMFAQHQDWKAWBM-ZIAGYGMSSA-N 2 1 280.843 3.504 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000091346681 1125750689 /nfs/dbraw/zinc/75/06/89/1125750689.db2.gz UZOCZYPRLXEVKB-SFHVURJKSA-N 2 1 283.419 3.713 20 0 CHADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262017766 1125751072 /nfs/dbraw/zinc/75/10/72/1125751072.db2.gz MXPROPSWLCVIKE-CEXWTWQISA-N 2 1 286.463 3.644 20 0 CHADMP CC[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H](C)c1cc2ccccc2o1 ZINC000262061935 1125751550 /nfs/dbraw/zinc/75/15/50/1125751550.db2.gz RHCUBHTUGRLLSS-KSSFIOAISA-N 2 1 286.419 3.815 20 0 CHADMP CC[N@@H+](Cc1ccc2ccccc2c1)C[C@@]1(C)CC[NH2+]C1 ZINC000262095548 1125752531 /nfs/dbraw/zinc/75/25/31/1125752531.db2.gz VDVUJPILKYLELS-IBGZPJMESA-N 2 1 282.431 3.661 20 0 CHADMP C/C(=C\c1ccccc1)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000093644478 1125772108 /nfs/dbraw/zinc/77/21/08/1125772108.db2.gz ZEEMMCULJYRGNV-QUJHGWJTSA-N 2 1 272.436 3.504 20 0 CHADMP C/C(=C\c1ccccc1)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000093644478 1125772111 /nfs/dbraw/zinc/77/21/11/1125772111.db2.gz ZEEMMCULJYRGNV-QUJHGWJTSA-N 2 1 272.436 3.504 20 0 CHADMP C/C(=C\c1ccccc1)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000093644478 1125772118 /nfs/dbraw/zinc/77/21/18/1125772118.db2.gz ZEEMMCULJYRGNV-QUJHGWJTSA-N 2 1 272.436 3.504 20 0 CHADMP C/C(=C\c1ccccc1)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000093644478 1125772119 /nfs/dbraw/zinc/77/21/19/1125772119.db2.gz ZEEMMCULJYRGNV-QUJHGWJTSA-N 2 1 272.436 3.504 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)cc(Cl)c2)C[C@H]1C ZINC000508717263 1125780053 /nfs/dbraw/zinc/78/00/53/1125780053.db2.gz IKMNNNASXKIWLA-PBHICJAKSA-N 2 1 294.870 3.953 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)cc(Cl)c2)C[C@H]1C ZINC000508717263 1125780065 /nfs/dbraw/zinc/78/00/65/1125780065.db2.gz IKMNNNASXKIWLA-PBHICJAKSA-N 2 1 294.870 3.953 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)cc(Cl)c2)C[C@H]1C ZINC000508717263 1125780071 /nfs/dbraw/zinc/78/00/71/1125780071.db2.gz IKMNNNASXKIWLA-PBHICJAKSA-N 2 1 294.870 3.953 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)cc(Cl)c2)C[C@H]1C ZINC000508717263 1125780079 /nfs/dbraw/zinc/78/00/79/1125780079.db2.gz IKMNNNASXKIWLA-PBHICJAKSA-N 2 1 294.870 3.953 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(C)cc(SC)c1 ZINC001238690124 1131232257 /nfs/dbraw/zinc/23/22/57/1131232257.db2.gz PSZGXBDLIKYQAE-UHFFFAOYSA-N 2 1 294.508 3.881 20 0 CHADMP CC1=C(C)C[C@H]([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000638377133 1129256155 /nfs/dbraw/zinc/25/61/55/1129256155.db2.gz NOWUSSCJNVKLQT-MLHJIOFPSA-N 2 1 276.468 3.728 20 0 CHADMP C[C@@H]([NH2+]CC1CC(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000621738405 1129188520 /nfs/dbraw/zinc/18/85/20/1129188520.db2.gz FVIXSYPALLGFJY-KXWSQRDISA-N 2 1 286.463 3.533 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(OCC)ccc1C ZINC001238710321 1131235599 /nfs/dbraw/zinc/23/55/99/1131235599.db2.gz BNKUYABSHPNJFV-UHFFFAOYSA-N 2 1 292.467 3.557 20 0 CHADMP CC[C@H]1CCC[C@@H]([NH2+]CC[N@H+](C)C2CCCC2)CC1 ZINC000086909033 1129830005 /nfs/dbraw/zinc/83/00/05/1129830005.db2.gz PRFDPFJKBPVSQY-JKSUJKDBSA-N 2 1 266.473 3.809 20 0 CHADMP CC[C@H]1CCC[C@@H]([NH2+]CC[N@@H+](C)C2CCCC2)CC1 ZINC000086909033 1129830008 /nfs/dbraw/zinc/83/00/08/1129830008.db2.gz PRFDPFJKBPVSQY-JKSUJKDBSA-N 2 1 266.473 3.809 20 0 CHADMP CC[NH+](CC)CCC[N@H+](C)Cc1cc2ccccc2o1 ZINC000338317167 1126733455 /nfs/dbraw/zinc/73/34/55/1126733455.db2.gz OQAYRWCXSUTQSK-UHFFFAOYSA-N 2 1 274.408 3.597 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](C)Cc1cc2ccccc2o1 ZINC000338317167 1126733459 /nfs/dbraw/zinc/73/34/59/1126733459.db2.gz OQAYRWCXSUTQSK-UHFFFAOYSA-N 2 1 274.408 3.597 20 0 CHADMP CCCc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)c1 ZINC000481999836 1126737575 /nfs/dbraw/zinc/73/75/75/1126737575.db2.gz HVWKXTCYOTUHEK-QFBILLFUSA-N 2 1 288.479 3.801 20 0 CHADMP CCCc1cccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000481999836 1126737577 /nfs/dbraw/zinc/73/75/77/1126737577.db2.gz HVWKXTCYOTUHEK-QFBILLFUSA-N 2 1 288.479 3.801 20 0 CHADMP CCCc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000481999836 1126737579 /nfs/dbraw/zinc/73/75/79/1126737579.db2.gz HVWKXTCYOTUHEK-QFBILLFUSA-N 2 1 288.479 3.801 20 0 CHADMP CSC[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000151003750 1126749273 /nfs/dbraw/zinc/74/92/73/1126749273.db2.gz PBIGMRYBZYMGDL-CHWSQXEVSA-N 2 1 289.448 3.583 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000152600644 1126757560 /nfs/dbraw/zinc/75/75/60/1126757560.db2.gz ILTPPROFKKSAMV-WBVHZDCISA-N 2 1 275.440 3.554 20 0 CHADMP Cc1ccc(C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C(C)C)cc1 ZINC000483731810 1126798521 /nfs/dbraw/zinc/79/85/21/1126798521.db2.gz REVJYZUEYFXJSP-NEWSRXKRSA-N 2 1 288.479 3.634 20 0 CHADMP Cc1ccc(C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C(C)C)cc1 ZINC000483731810 1126798523 /nfs/dbraw/zinc/79/85/23/1126798523.db2.gz REVJYZUEYFXJSP-NEWSRXKRSA-N 2 1 288.479 3.634 20 0 CHADMP Cc1ccc(C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C(C)C)cc1 ZINC000483731813 1126799246 /nfs/dbraw/zinc/79/92/46/1126799246.db2.gz REVJYZUEYFXJSP-WDSOQIARSA-N 2 1 288.479 3.634 20 0 CHADMP Cc1ccc(C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)C)cc1 ZINC000483731813 1126799248 /nfs/dbraw/zinc/79/92/48/1126799248.db2.gz REVJYZUEYFXJSP-WDSOQIARSA-N 2 1 288.479 3.634 20 0 CHADMP COc1ccccc1[C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000483875857 1126804884 /nfs/dbraw/zinc/80/48/84/1126804884.db2.gz ZTBGSGRKJWDZED-MRXNPFEDSA-N 2 1 292.467 3.855 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CCc2csc3ccccc23)CC[N@H+]1C ZINC000178047228 1126808221 /nfs/dbraw/zinc/80/82/21/1126808221.db2.gz OBXYOZHZQHDSKX-ZFWWWQNUSA-N 2 1 288.460 3.516 20 0 CHADMP CC(C)[NH+]1CCC([NH2+]C2(c3cccc(Cl)c3)CC2)CC1 ZINC000183755511 1126891678 /nfs/dbraw/zinc/89/16/78/1126891678.db2.gz ULXXKAGGQPJELX-UHFFFAOYSA-N 2 1 292.854 3.792 20 0 CHADMP c1ccc(C[NH+]2CCC3(CC[N@H+](CCC4CC4)C3)CC2)cc1 ZINC000485489732 1126918416 /nfs/dbraw/zinc/91/84/16/1126918416.db2.gz KFALGTGWSRSTRS-UHFFFAOYSA-N 2 1 298.474 3.775 20 0 CHADMP CSCc1cccc(C[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000188722963 1126925592 /nfs/dbraw/zinc/92/55/92/1126925592.db2.gz XEYMHKFWGCEOCP-UHFFFAOYSA-N 2 1 292.492 3.512 20 0 CHADMP CC/C=C\CCCCCC[N@@H+](CC)C1CC[NH2+]CC1 ZINC001235761179 1130776703 /nfs/dbraw/zinc/77/67/03/1130776703.db2.gz QOBMWXXNBYNNBI-WAYWQWQTSA-N 2 1 266.473 3.977 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1csc(Cl)c1 ZINC000191189748 1126948935 /nfs/dbraw/zinc/94/89/35/1126948935.db2.gz KHZFUFIWLXSURQ-NSHDSACASA-N 2 1 298.883 3.927 20 0 CHADMP C[C@H](CC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000191084985 1126946903 /nfs/dbraw/zinc/94/69/03/1126946903.db2.gz JOQSINBKUHGTRE-NUJGCVRESA-N 2 1 274.452 3.595 20 0 CHADMP C[C@H](CC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000191084985 1126946904 /nfs/dbraw/zinc/94/69/04/1126946904.db2.gz JOQSINBKUHGTRE-NUJGCVRESA-N 2 1 274.452 3.595 20 0 CHADMP C[C@H](CC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000191084985 1126946908 /nfs/dbraw/zinc/94/69/08/1126946908.db2.gz JOQSINBKUHGTRE-NUJGCVRESA-N 2 1 274.452 3.595 20 0 CHADMP C[C@H](CC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000191084985 1126946910 /nfs/dbraw/zinc/94/69/10/1126946910.db2.gz JOQSINBKUHGTRE-NUJGCVRESA-N 2 1 274.452 3.595 20 0 CHADMP CCC1(CC)CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000485888449 1126961164 /nfs/dbraw/zinc/96/11/64/1126961164.db2.gz KOVWZIMKLWWHAU-INIZCTEOSA-N 2 1 266.473 3.763 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)c1cccs1 ZINC001319754030 1126983969 /nfs/dbraw/zinc/98/39/69/1126983969.db2.gz IXLLSTPDILHRDS-KGLIPLIRSA-N 2 1 266.454 3.521 20 0 CHADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000267438618 1126999925 /nfs/dbraw/zinc/99/99/25/1126999925.db2.gz OOKATZPIFSFJEG-MRXNPFEDSA-N 2 1 299.418 3.577 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)[C@H]1CC1(C)C ZINC000486952387 1127011794 /nfs/dbraw/zinc/01/17/94/1127011794.db2.gz XYQCAGDTNOWUDL-OWCLPIDISA-N 2 1 266.473 3.665 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)c(C)s1 ZINC000268779742 1127023909 /nfs/dbraw/zinc/02/39/09/1127023909.db2.gz CQYMSOOJILQAHX-GFCCVEGCSA-N 2 1 277.437 3.611 20 0 CHADMP CC[N@@H+](CC[C@@H](C)CCCC(C)(C)OC)C[C@@H]1CC[NH2+]C1 ZINC001236407098 1130930879 /nfs/dbraw/zinc/93/08/79/1130930879.db2.gz BMMIOOGOUMGRMP-DLBZAZTESA-N 2 1 298.515 3.539 20 0 CHADMP CCC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccccc1 ZINC000268780673 1127023372 /nfs/dbraw/zinc/02/33/72/1127023372.db2.gz CWQUHHHJQJZVSY-KRWDZBQOSA-N 2 1 271.408 3.713 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000268866595 1127026382 /nfs/dbraw/zinc/02/63/82/1127026382.db2.gz NWPIFAXJHPBSFV-RTBURBONSA-N 2 1 297.446 3.583 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CCc1cccc(C)c1 ZINC000268871257 1127026673 /nfs/dbraw/zinc/02/66/73/1127026673.db2.gz OZTJDPBDDNVCNW-MRXNPFEDSA-N 2 1 285.435 3.501 20 0 CHADMP CSCCC[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236565346 1130976159 /nfs/dbraw/zinc/97/61/59/1130976159.db2.gz FLVKRDOZBSTVRG-KOMQPUFPSA-N 2 1 284.513 3.644 20 0 CHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(C(F)F)cc2)CC1 ZINC000274026892 1127106239 /nfs/dbraw/zinc/10/62/39/1127106239.db2.gz JGXVVONPPTUOIE-UHFFFAOYSA-N 2 1 296.405 3.929 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(C(F)F)cc2)CC1 ZINC000274026892 1127106243 /nfs/dbraw/zinc/10/62/43/1127106243.db2.gz JGXVVONPPTUOIE-UHFFFAOYSA-N 2 1 296.405 3.929 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000274295795 1127111395 /nfs/dbraw/zinc/11/13/95/1127111395.db2.gz SEVFTEDUJQVDCC-ROUUACIJSA-N 2 1 297.446 3.754 20 0 CHADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000349244506 1127144332 /nfs/dbraw/zinc/14/43/32/1127144332.db2.gz DNXOYBFZIZIAGR-DLTWYDFYSA-N 2 1 272.436 3.616 20 0 CHADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000349244506 1127144333 /nfs/dbraw/zinc/14/43/33/1127144333.db2.gz DNXOYBFZIZIAGR-DLTWYDFYSA-N 2 1 272.436 3.616 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC[C@H](C)F)C2)s1 ZINC000570971000 1127150720 /nfs/dbraw/zinc/15/07/20/1127150720.db2.gz XKRYHJGFPFGIBI-DZGCQCFKSA-N 2 1 298.471 3.558 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC[C@H](C)F)C2)s1 ZINC000570971000 1127150721 /nfs/dbraw/zinc/15/07/21/1127150721.db2.gz XKRYHJGFPFGIBI-DZGCQCFKSA-N 2 1 298.471 3.558 20 0 CHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccoc1 ZINC000760714541 1127205909 /nfs/dbraw/zinc/20/59/09/1127205909.db2.gz ZQDZUFHQRDCVFB-HOTGVXAUSA-N 2 1 298.430 3.526 20 0 CHADMP Cc1c[nH+]ccc1OC1CC[NH+](CC2CCCCC2)CC1 ZINC000352349005 1127225682 /nfs/dbraw/zinc/22/56/82/1127225682.db2.gz IIFJAXLCDFETFG-UHFFFAOYSA-N 2 1 288.435 3.814 20 0 CHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc3cccnc3c2)CC1 ZINC000589642908 1127232633 /nfs/dbraw/zinc/23/26/33/1127232633.db2.gz QEALZZOUTWJBMU-UHFFFAOYSA-N 2 1 297.446 3.587 20 0 CHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CCC2)CC1 ZINC000286186127 1127261742 /nfs/dbraw/zinc/26/17/42/1127261742.db2.gz RATHPWXEPOJZQJ-UHFFFAOYSA-N 2 1 272.436 3.572 20 0 CHADMP CC1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000355147239 1127321204 /nfs/dbraw/zinc/32/12/04/1127321204.db2.gz HGPVZWUYBYXXLN-YQQQUEKLSA-N 2 1 298.474 3.962 20 0 CHADMP Cc1oc2ccccc2c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000355215371 1127326047 /nfs/dbraw/zinc/32/60/47/1127326047.db2.gz ZDTYUMDFQTWFLG-MAUKXSAKSA-N 2 1 298.430 3.657 20 0 CHADMP Cc1oc2ccccc2c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000355215371 1127326050 /nfs/dbraw/zinc/32/60/50/1127326050.db2.gz ZDTYUMDFQTWFLG-MAUKXSAKSA-N 2 1 298.430 3.657 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000355215371 1127326054 /nfs/dbraw/zinc/32/60/54/1127326054.db2.gz ZDTYUMDFQTWFLG-MAUKXSAKSA-N 2 1 298.430 3.657 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000289360881 1127382627 /nfs/dbraw/zinc/38/26/27/1127382627.db2.gz ZERYBLNIMMVSQB-KSSFIOAISA-N 2 1 283.419 3.810 20 0 CHADMP CC[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(OC)cc1 ZINC000356871060 1127385626 /nfs/dbraw/zinc/38/56/26/1127385626.db2.gz IYTQQEBDDBOYKL-FUHWJXTLSA-N 2 1 290.451 3.610 20 0 CHADMP CC[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(OC)cc1 ZINC000356871068 1127385775 /nfs/dbraw/zinc/38/57/75/1127385775.db2.gz IYTQQEBDDBOYKL-WMZOPIPTSA-N 2 1 290.451 3.610 20 0 CHADMP CSc1ccccc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000358050960 1127399534 /nfs/dbraw/zinc/39/95/34/1127399534.db2.gz XRBHDECKNSHHPF-UHFFFAOYSA-N 2 1 292.492 3.713 20 0 CHADMP CSc1ccccc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000358050960 1127399538 /nfs/dbraw/zinc/39/95/38/1127399538.db2.gz XRBHDECKNSHHPF-UHFFFAOYSA-N 2 1 292.492 3.713 20 0 CHADMP CC[N@H+]1CC[C@H](N(C)Cc2ccccc2SC)[C@@H](C)C1 ZINC000358042799 1127398568 /nfs/dbraw/zinc/39/85/68/1127398568.db2.gz CTSYKNNNYCZHIM-HOCLYGCPSA-N 2 1 292.492 3.571 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2SC)[C@@H](C)C1 ZINC000358042799 1127398571 /nfs/dbraw/zinc/39/85/71/1127398571.db2.gz CTSYKNNNYCZHIM-HOCLYGCPSA-N 2 1 292.492 3.571 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2SC)[C@@H](C)C1 ZINC000358042799 1127398574 /nfs/dbraw/zinc/39/85/74/1127398574.db2.gz CTSYKNNNYCZHIM-HOCLYGCPSA-N 2 1 292.492 3.571 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CCC1CCCC1 ZINC000358090367 1127401767 /nfs/dbraw/zinc/40/17/67/1127401767.db2.gz DIRPDNOLWBMTDS-CABCVRRESA-N 2 1 277.456 3.776 20 0 CHADMP C[C@H]1CC[C@]2(CC[N@@H+](Cc3ccc(-n4ccnc4)cc3)C2)C1 ZINC000359295908 1127457519 /nfs/dbraw/zinc/45/75/19/1127457519.db2.gz IGWZMIBVKAXSEH-LPHOPBHVSA-N 2 1 295.430 3.884 20 0 CHADMP CC[C@H](NCCC[N@@H+](C)C(C)C)c1ccc(F)cc1F ZINC000359645199 1127471623 /nfs/dbraw/zinc/47/16/23/1127471623.db2.gz RVZFATLJLDAGJN-INIZCTEOSA-N 2 1 284.394 3.736 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C)c3ccccc32)C1 ZINC000360235277 1127493685 /nfs/dbraw/zinc/49/36/85/1127493685.db2.gz TXDYPMKRGJCQSE-GPMSIDNRSA-N 2 1 286.463 3.947 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)C(C)(C)C)cc1F ZINC000360594957 1127502786 /nfs/dbraw/zinc/50/27/86/1127502786.db2.gz CAVFEFQWAWRHKM-GFCCVEGCSA-N 2 1 289.398 3.844 20 0 CHADMP Cc1ccc([C@H](C)C[NH2+]C(C)(C)C[NH+]2CCCC2)cc1 ZINC001308824145 1127498254 /nfs/dbraw/zinc/49/82/54/1127498254.db2.gz CVCSRPGAKTZGIP-MRXNPFEDSA-N 2 1 274.452 3.563 20 0 CHADMP Cc1ccc2c(c1)C[N@H+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC000361110235 1127538373 /nfs/dbraw/zinc/53/83/73/1127538373.db2.gz GNXCPARKGWGBCU-UHFFFAOYSA-N 2 1 289.382 3.697 20 0 CHADMP Cc1ccc2c(c1)CN(Cc1ccc(-n3ccnc3)cc1)C2 ZINC000361110235 1127538377 /nfs/dbraw/zinc/53/83/77/1127538377.db2.gz GNXCPARKGWGBCU-UHFFFAOYSA-N 2 1 289.382 3.697 20 0 CHADMP CC[C@H](Cc1ccc(C)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295025687 1127614908 /nfs/dbraw/zinc/61/49/08/1127614908.db2.gz NMEKJMKUTWGHEN-MVCQKVDPSA-N 2 1 286.463 3.531 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CC2=CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000401179720 1127640869 /nfs/dbraw/zinc/64/08/69/1127640869.db2.gz XSSVRAVORCVEHW-APWZRJJASA-N 2 1 284.447 3.739 20 0 CHADMP CSCc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000598977877 1127649169 /nfs/dbraw/zinc/64/91/69/1127649169.db2.gz PGGMQDOCDXFHMC-INIZCTEOSA-N 2 1 292.492 3.512 20 0 CHADMP CC[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1ccsc1 ZINC000295814314 1127653698 /nfs/dbraw/zinc/65/36/98/1127653698.db2.gz CWYAVAKLZZOBPC-MRXNPFEDSA-N 2 1 280.481 3.909 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000295863523 1127655849 /nfs/dbraw/zinc/65/58/49/1127655849.db2.gz BPVUVCBFCGEIHK-QXCFHYIPSA-N 2 1 286.463 3.643 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1csc(C)c1 ZINC000296047774 1127661054 /nfs/dbraw/zinc/66/10/54/1127661054.db2.gz OINIIWZLTYAGFY-UHFFFAOYSA-N 2 1 291.464 3.728 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1csc(C)c1 ZINC000296047774 1127661057 /nfs/dbraw/zinc/66/10/57/1127661057.db2.gz OINIIWZLTYAGFY-UHFFFAOYSA-N 2 1 291.464 3.728 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC(C)(F)F)cc1 ZINC000296210705 1127665292 /nfs/dbraw/zinc/66/52/92/1127665292.db2.gz ZTIZREGTMJOJDI-LBPRGKRZSA-N 2 1 293.361 3.877 20 0 CHADMP Cc1ccc(C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C2CC2)cc1 ZINC000364451036 1127700796 /nfs/dbraw/zinc/70/07/96/1127700796.db2.gz VSAIYEIDOJTJMY-AQNXPRMDSA-N 2 1 298.474 3.533 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](C)c2ccccc2)CC1 ZINC000604884607 1127720486 /nfs/dbraw/zinc/72/04/86/1127720486.db2.gz UTRWQFYNJJFVRE-KRWDZBQOSA-N 2 1 288.479 3.842 20 0 CHADMP C[C@@H](c1ccccc1Cl)[N@@H+](C)CCCCCC[NH3+] ZINC000062018697 1127730922 /nfs/dbraw/zinc/73/09/22/1127730922.db2.gz UOQJOIGJURPPAD-ZDUSSCGKSA-N 2 1 268.832 3.852 20 0 CHADMP Cc1ccc(C)c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000606447875 1127762977 /nfs/dbraw/zinc/76/29/77/1127762977.db2.gz KFNOYLDGLVBBSZ-LJQANCHMSA-N 2 1 286.463 3.754 20 0 CHADMP CC(C)(C)CCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000410384277 1127807794 /nfs/dbraw/zinc/80/77/94/1127807794.db2.gz PYQYJHXHGZLOQD-MRXNPFEDSA-N 2 1 266.473 3.763 20 0 CHADMP C[N@H+](Cc1ccco1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411139077 1127843498 /nfs/dbraw/zinc/84/34/98/1127843498.db2.gz SIORXKJHHQCCLX-UHFFFAOYSA-N 2 1 298.430 3.898 20 0 CHADMP C[N@@H+](Cc1ccco1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411139077 1127843503 /nfs/dbraw/zinc/84/35/03/1127843503.db2.gz SIORXKJHHQCCLX-UHFFFAOYSA-N 2 1 298.430 3.898 20 0 CHADMP CCN1CCC([N@@H+](C)CC[C@H]2CCc3ccccc32)CC1 ZINC000659983221 1127867239 /nfs/dbraw/zinc/86/72/39/1127867239.db2.gz HEMAQXHGFYIGLN-QGZVFWFLSA-N 2 1 286.463 3.523 20 0 CHADMP CC[NH+]1CCC([N@H+](C)CC[C@H]2CCc3ccccc32)CC1 ZINC000659983221 1127867242 /nfs/dbraw/zinc/86/72/42/1127867242.db2.gz HEMAQXHGFYIGLN-QGZVFWFLSA-N 2 1 286.463 3.523 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)CC[C@H]2CCc3ccccc32)CC1 ZINC000659983221 1127867246 /nfs/dbraw/zinc/86/72/46/1127867246.db2.gz HEMAQXHGFYIGLN-QGZVFWFLSA-N 2 1 286.463 3.523 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000411994627 1127884490 /nfs/dbraw/zinc/88/44/90/1127884490.db2.gz ZWCRBVPTWWQTEZ-RTBURBONSA-N 2 1 298.474 3.740 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000411994627 1127884495 /nfs/dbraw/zinc/88/44/95/1127884495.db2.gz ZWCRBVPTWWQTEZ-RTBURBONSA-N 2 1 298.474 3.740 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000411994627 1127884498 /nfs/dbraw/zinc/88/44/98/1127884498.db2.gz ZWCRBVPTWWQTEZ-RTBURBONSA-N 2 1 298.474 3.740 20 0 CHADMP CC[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000539822858 1127943754 /nfs/dbraw/zinc/94/37/54/1127943754.db2.gz VIRNJVKVGDSMFG-JFIYKMOQSA-N 2 1 274.452 3.595 20 0 CHADMP CC[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000539822858 1127943758 /nfs/dbraw/zinc/94/37/58/1127943758.db2.gz VIRNJVKVGDSMFG-JFIYKMOQSA-N 2 1 274.452 3.595 20 0 CHADMP CC[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000539822858 1127943760 /nfs/dbraw/zinc/94/37/60/1127943760.db2.gz VIRNJVKVGDSMFG-JFIYKMOQSA-N 2 1 274.452 3.595 20 0 CHADMP CC[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000539822858 1127943764 /nfs/dbraw/zinc/94/37/64/1127943764.db2.gz VIRNJVKVGDSMFG-JFIYKMOQSA-N 2 1 274.452 3.595 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)c1 ZINC000539896576 1127952005 /nfs/dbraw/zinc/95/20/05/1127952005.db2.gz MBNDABLRDJELGR-AZUAARDMSA-N 2 1 298.474 3.752 20 0 CHADMP C(C1CCCCCC1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000539897545 1127952558 /nfs/dbraw/zinc/95/25/58/1127952558.db2.gz BWJHIDYWMPAIGO-MJGOQNOKSA-N 2 1 290.495 3.906 20 0 CHADMP C[N@H+]1CCCC12CCN(CC1CCC(C)(C)CC1)CC2 ZINC000544128545 1127960402 /nfs/dbraw/zinc/96/04/02/1127960402.db2.gz UKVNOAZZFFIZTC-UHFFFAOYSA-N 2 1 278.484 3.763 20 0 CHADMP C[N@@H+]1CCCC12CC[NH+](CC1CCC(C)(C)CC1)CC2 ZINC000544128545 1127960405 /nfs/dbraw/zinc/96/04/05/1127960405.db2.gz UKVNOAZZFFIZTC-UHFFFAOYSA-N 2 1 278.484 3.763 20 0 CHADMP C[N@H+]1CCCC12CC[NH+](CC1CCC(C)(C)CC1)CC2 ZINC000544128545 1127960409 /nfs/dbraw/zinc/96/04/09/1127960409.db2.gz UKVNOAZZFFIZTC-UHFFFAOYSA-N 2 1 278.484 3.763 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2CCCC[C@H]2C)CC1 ZINC000544347143 1127968585 /nfs/dbraw/zinc/96/85/85/1127968585.db2.gz IITRQVTYMWUBRI-CVEARBPZSA-N 2 1 266.473 3.617 20 0 CHADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000544348968 1127969272 /nfs/dbraw/zinc/96/92/72/1127969272.db2.gz OAAMCKIGLBRPJO-OWSLCNJRSA-N 2 1 278.484 3.619 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000544348968 1127969274 /nfs/dbraw/zinc/96/92/74/1127969274.db2.gz OAAMCKIGLBRPJO-OWSLCNJRSA-N 2 1 278.484 3.619 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000544348968 1127969275 /nfs/dbraw/zinc/96/92/75/1127969275.db2.gz OAAMCKIGLBRPJO-OWSLCNJRSA-N 2 1 278.484 3.619 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1(c2ccccc2)CCCC1 ZINC000540385886 1127977062 /nfs/dbraw/zinc/97/70/62/1127977062.db2.gz KMZPGBOKHCIZKB-KRWDZBQOSA-N 2 1 272.436 3.530 20 0 CHADMP CC(C)[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc2ccccc2o1 ZINC000540656456 1127988731 /nfs/dbraw/zinc/98/87/31/1127988731.db2.gz NZJPPQMFARSXCB-LJQANCHMSA-N 2 1 298.430 3.981 20 0 CHADMP Cc1ccc([C@H]([NH2+]CCC[N@@H+](C)C(C)C)C2CCC2)o1 ZINC000541746437 1128035470 /nfs/dbraw/zinc/03/54/70/1128035470.db2.gz JPLMZFAHYCISEY-QGZVFWFLSA-N 2 1 278.440 3.749 20 0 CHADMP Cc1ccc([C@H]([NH2+]CCC[N@H+](C)C(C)C)C2CCC2)o1 ZINC000541746437 1128035475 /nfs/dbraw/zinc/03/54/75/1128035475.db2.gz JPLMZFAHYCISEY-QGZVFWFLSA-N 2 1 278.440 3.749 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCCc2ccccc2)[C@H](C)C1 ZINC000469143138 1128036747 /nfs/dbraw/zinc/03/67/47/1128036747.db2.gz ZBYYACNPHGHUOC-IEBWSBKVSA-N 2 1 288.479 3.719 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000469270053 1128039972 /nfs/dbraw/zinc/03/99/72/1128039972.db2.gz ZTXKXGBYBGQJHE-QZWWFDLISA-N 2 1 266.473 3.523 20 0 CHADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccccc2)s1 ZINC000469850689 1128056200 /nfs/dbraw/zinc/05/62/00/1128056200.db2.gz WNONLEOTHLBTMS-UONOGXRCSA-N 2 1 286.444 3.584 20 0 CHADMP CC[C@@H]([NH2+][C@H](C)CC[NH+](C)C)c1ccc(Cl)s1 ZINC000470251558 1128066796 /nfs/dbraw/zinc/06/67/96/1128066796.db2.gz BVGBNMDHGJPODQ-GHMZBOCLSA-N 2 1 274.861 3.782 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000173325206 1128087274 /nfs/dbraw/zinc/08/72/74/1128087274.db2.gz QJNPWOFFDXKXDS-IRXDYDNUSA-N 2 1 274.452 3.849 20 0 CHADMP CCCC[C@@H](CC)CC[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000557097222 1128091244 /nfs/dbraw/zinc/09/12/44/1128091244.db2.gz JERUDVZUEWCMNY-SJORKVTESA-N 2 1 268.489 3.913 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000924685294 1128110006 /nfs/dbraw/zinc/11/00/06/1128110006.db2.gz HZBIHJPUIRAOEU-MGNMYUMUSA-N 2 1 296.524 3.515 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2csc3ccccc23)C1 ZINC000924707954 1128110841 /nfs/dbraw/zinc/11/08/41/1128110841.db2.gz WJJYADZWNDWKRL-KBPBESRZSA-N 2 1 288.460 3.894 20 0 CHADMP C1=CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000925270808 1128127656 /nfs/dbraw/zinc/12/76/56/1128127656.db2.gz PIWLCQAKGKDHKX-IHWFROFDSA-N 2 1 296.458 3.880 20 0 CHADMP CSCCCCCC[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925637205 1128135221 /nfs/dbraw/zinc/13/52/21/1128135221.db2.gz ISPRBDRDAGTMJK-GDBMZVCRSA-N 2 1 280.481 3.588 20 0 CHADMP CSCCCCCC[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925637207 1128134973 /nfs/dbraw/zinc/13/49/73/1128134973.db2.gz ISPRBDRDAGTMJK-GOEBONIOSA-N 2 1 280.481 3.588 20 0 CHADMP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(Oc2ccccc2)cn1 ZINC000925736871 1128139807 /nfs/dbraw/zinc/13/98/07/1128139807.db2.gz DVJSINSDXAVLOR-AWEZNQCLSA-N 2 1 299.418 3.652 20 0 CHADMP CSc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000219233881 1128163612 /nfs/dbraw/zinc/16/36/12/1128163612.db2.gz LJMYAGNKCUUPPZ-GZBFAFLISA-N 2 1 278.465 3.542 20 0 CHADMP Cc1cccc2c1[C@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CC2 ZINC000926336893 1128167322 /nfs/dbraw/zinc/16/73/22/1128167322.db2.gz JAYUBTRNUVKEFO-DAWZGUTISA-N 2 1 284.447 3.589 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1coc2ccccc12 ZINC000926753216 1128192286 /nfs/dbraw/zinc/19/22/86/1128192286.db2.gz LUYRHVYDJOSSHX-HUUCEWRRSA-N 2 1 286.419 3.815 20 0 CHADMP Cc1cc(C)c(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(C)c1 ZINC001206584495 1128251327 /nfs/dbraw/zinc/25/13/27/1128251327.db2.gz ZGQTUTOEAMSNOC-SFHVURJKSA-N 2 1 288.479 3.964 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000494884345 1128208894 /nfs/dbraw/zinc/20/88/94/1128208894.db2.gz XRYGYNHNJKGSCO-IIDMSEBBSA-N 2 1 274.452 3.661 20 0 CHADMP CCCC1CCC(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)CC1 ZINC000495108011 1128232763 /nfs/dbraw/zinc/23/27/63/1128232763.db2.gz KIPMINBDLMYIRF-OPQOLIRYSA-N 2 1 278.484 3.619 20 0 CHADMP CCCC1CCC(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)CC1 ZINC000495108011 1128232766 /nfs/dbraw/zinc/23/27/66/1128232766.db2.gz KIPMINBDLMYIRF-OPQOLIRYSA-N 2 1 278.484 3.619 20 0 CHADMP CCCC1CCC(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000495108011 1128232770 /nfs/dbraw/zinc/23/27/70/1128232770.db2.gz KIPMINBDLMYIRF-OPQOLIRYSA-N 2 1 278.484 3.619 20 0 CHADMP CCCC1CCC(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000495108011 1128232774 /nfs/dbraw/zinc/23/27/74/1128232774.db2.gz KIPMINBDLMYIRF-OPQOLIRYSA-N 2 1 278.484 3.619 20 0 CHADMP CN1CCC[C@H](C[N@@H+](C)[C@H]2CCc3cc(Cl)ccc32)C1 ZINC000777783645 1128274506 /nfs/dbraw/zinc/27/45/06/1128274506.db2.gz CUHYLOYFMZSWRV-GUYCJALGSA-N 2 1 292.854 3.601 20 0 CHADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@H]1CCc2cc(Cl)ccc21 ZINC000777783645 1128274512 /nfs/dbraw/zinc/27/45/12/1128274512.db2.gz CUHYLOYFMZSWRV-GUYCJALGSA-N 2 1 292.854 3.601 20 0 CHADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCc2cc(Cl)ccc21 ZINC000777783645 1128274514 /nfs/dbraw/zinc/27/45/14/1128274514.db2.gz CUHYLOYFMZSWRV-GUYCJALGSA-N 2 1 292.854 3.601 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H](C)C3CC3)C2)s1 ZINC000930374195 1128316642 /nfs/dbraw/zinc/31/66/42/1128316642.db2.gz RPBJOXWTBJJNOS-LSDHHAIUSA-N 2 1 292.492 3.609 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H](C)C3CC3)C2)s1 ZINC000930374195 1128316647 /nfs/dbraw/zinc/31/66/47/1128316647.db2.gz RPBJOXWTBJJNOS-LSDHHAIUSA-N 2 1 292.492 3.609 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H](C)C3CC3)C2)s1 ZINC000930374195 1128316652 /nfs/dbraw/zinc/31/66/52/1128316652.db2.gz RPBJOXWTBJJNOS-LSDHHAIUSA-N 2 1 292.492 3.609 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H](C)C3CC3)C2)s1 ZINC000930374195 1128316656 /nfs/dbraw/zinc/31/66/56/1128316656.db2.gz RPBJOXWTBJJNOS-LSDHHAIUSA-N 2 1 292.492 3.609 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H](C)C3CC3)C2)s1 ZINC000930374192 1128315923 /nfs/dbraw/zinc/31/59/23/1128315923.db2.gz RPBJOXWTBJJNOS-GJZGRUSLSA-N 2 1 292.492 3.609 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H](C)C3CC3)C2)s1 ZINC000930374192 1128315928 /nfs/dbraw/zinc/31/59/28/1128315928.db2.gz RPBJOXWTBJJNOS-GJZGRUSLSA-N 2 1 292.492 3.609 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C3CC3)C2)s1 ZINC000930374192 1128315931 /nfs/dbraw/zinc/31/59/31/1128315931.db2.gz RPBJOXWTBJJNOS-GJZGRUSLSA-N 2 1 292.492 3.609 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C3CC3)C2)s1 ZINC000930374192 1128315936 /nfs/dbraw/zinc/31/59/36/1128315936.db2.gz RPBJOXWTBJJNOS-GJZGRUSLSA-N 2 1 292.492 3.609 20 0 CHADMP CCC(CC)[N@@H+](CC)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000561981917 1128367119 /nfs/dbraw/zinc/36/71/19/1128367119.db2.gz BGSBRCPGQHIUQE-UHFFFAOYSA-N 2 1 286.423 3.586 20 0 CHADMP Cc1ccc(C)c([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000037140849 1128418411 /nfs/dbraw/zinc/41/84/11/1128418411.db2.gz JFNLYYMQPGSVOQ-OAHLLOKOSA-N 2 1 272.436 3.581 20 0 CHADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(C)(C)C ZINC000670268949 1128379676 /nfs/dbraw/zinc/37/96/76/1128379676.db2.gz UKUGTSWUCKNPKG-PMPSAXMXSA-N 2 1 280.500 3.911 20 0 CHADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](C)C(C)(C)C)CC1 ZINC000670270363 1128382063 /nfs/dbraw/zinc/38/20/63/1128382063.db2.gz WYSMWNBKKJWACS-HNNXBMFYSA-N 2 1 290.451 3.915 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1C ZINC000036996671 1128404888 /nfs/dbraw/zinc/40/48/88/1128404888.db2.gz HENHVGIBNBVROP-RYQLBKOJSA-N 2 1 272.436 3.581 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1C ZINC000036996671 1128404890 /nfs/dbraw/zinc/40/48/90/1128404890.db2.gz HENHVGIBNBVROP-RYQLBKOJSA-N 2 1 272.436 3.581 20 0 CHADMP CCCC1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000036996352 1128404913 /nfs/dbraw/zinc/40/49/13/1128404913.db2.gz KBXZCINJJOAJOR-SJJHQCBESA-N 2 1 264.457 3.562 20 0 CHADMP CCCC1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000036996352 1128404915 /nfs/dbraw/zinc/40/49/15/1128404915.db2.gz KBXZCINJJOAJOR-SJJHQCBESA-N 2 1 264.457 3.562 20 0 CHADMP CCCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC000037644530 1128433515 /nfs/dbraw/zinc/43/35/15/1128433515.db2.gz SPHLVLSVLSPXGS-FUHWJXTLSA-N 2 1 274.452 3.849 20 0 CHADMP CCCc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000037643995 1128433680 /nfs/dbraw/zinc/43/36/80/1128433680.db2.gz HGGLQSQSYCLCSM-WBVHZDCISA-N 2 1 274.452 3.632 20 0 CHADMP CCCc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CC)C2)cc1 ZINC000037643997 1128433711 /nfs/dbraw/zinc/43/37/11/1128433711.db2.gz HGGLQSQSYCLCSM-NVXWUHKLSA-N 2 1 274.452 3.632 20 0 CHADMP c1ccc([C@@H]2CCCC[N@@H+]2CC[C@@H]2CCCC[NH2+]2)cc1 ZINC001205171641 1128433826 /nfs/dbraw/zinc/43/38/26/1128433826.db2.gz VDBQPVWKEUPYLU-ROUUACIJSA-N 2 1 272.436 3.746 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCC(C(C)(C)CC)CC2)C1 ZINC000037643786 1128433840 /nfs/dbraw/zinc/43/38/40/1128433840.db2.gz VFJZLOWSOLVLAV-KLAILNCOSA-N 2 1 280.500 3.913 20 0 CHADMP CC(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649524 1128434486 /nfs/dbraw/zinc/43/44/86/1128434486.db2.gz PSYXUHPSSFFXPK-HZPDHXFCSA-N 2 1 286.463 3.945 20 0 CHADMP C[C@@H](CC[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000562943498 1128441803 /nfs/dbraw/zinc/44/18/03/1128441803.db2.gz ZKEALHAACDBORO-FUHWJXTLSA-N 2 1 286.463 3.787 20 0 CHADMP C[C@@H](CC[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000562943498 1128441808 /nfs/dbraw/zinc/44/18/08/1128441808.db2.gz ZKEALHAACDBORO-FUHWJXTLSA-N 2 1 286.463 3.787 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+]C2CC(C)(C)CC(C)(C)C2)C1 ZINC000124768039 1128445522 /nfs/dbraw/zinc/44/55/22/1128445522.db2.gz RTANVGUPVZLGFO-CQSZACIVSA-N 2 1 266.473 3.523 20 0 CHADMP CC[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)C1CC1 ZINC000125183423 1128447986 /nfs/dbraw/zinc/44/79/86/1128447986.db2.gz QSPJXRLLKBMZOT-DNVCBOLYSA-N 2 1 286.463 3.990 20 0 CHADMP CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000125797448 1128454099 /nfs/dbraw/zinc/45/40/99/1128454099.db2.gz LYGMBDLOXJPNDT-IRXDYDNUSA-N 2 1 266.473 3.831 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)o1 ZINC000126006040 1128460098 /nfs/dbraw/zinc/46/00/98/1128460098.db2.gz RKZHTGBBGIDMET-HUUCEWRRSA-N 2 1 278.440 3.613 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)o1 ZINC000126006040 1128460099 /nfs/dbraw/zinc/46/00/99/1128460099.db2.gz RKZHTGBBGIDMET-HUUCEWRRSA-N 2 1 278.440 3.613 20 0 CHADMP Cc1cccnc1[C@@H](NCC[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC000934290485 1128457103 /nfs/dbraw/zinc/45/71/03/1128457103.db2.gz GFZRZWQIVDWLTP-DOTOQJQBSA-N 2 1 289.467 3.551 20 0 CHADMP Cc1cccnc1[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC000934290485 1128457105 /nfs/dbraw/zinc/45/71/05/1128457105.db2.gz GFZRZWQIVDWLTP-DOTOQJQBSA-N 2 1 289.467 3.551 20 0 CHADMP Cc1cccnc1[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC000934290485 1128457107 /nfs/dbraw/zinc/45/71/07/1128457107.db2.gz GFZRZWQIVDWLTP-DOTOQJQBSA-N 2 1 289.467 3.551 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000126779952 1128466985 /nfs/dbraw/zinc/46/69/85/1128466985.db2.gz YCXFRKNUXWNZQG-JYJNAYRXSA-N 2 1 294.508 3.984 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000126779952 1128466987 /nfs/dbraw/zinc/46/69/87/1128466987.db2.gz YCXFRKNUXWNZQG-JYJNAYRXSA-N 2 1 294.508 3.984 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CCC(C)CC2)C1 ZINC000563800765 1128479577 /nfs/dbraw/zinc/47/95/77/1128479577.db2.gz JBIZSMSOZWDGRN-AQFXKWCLSA-N 2 1 266.473 3.523 20 0 CHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CC[C@H](F)C1 ZINC000563770434 1128477708 /nfs/dbraw/zinc/47/77/08/1128477708.db2.gz PPOCPMJTSQOMDA-IRXDYDNUSA-N 2 1 292.442 3.625 20 0 CHADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CCCC1CCCCC1 ZINC000563776649 1128478457 /nfs/dbraw/zinc/47/84/57/1128478457.db2.gz DPEYFASVHQRRFY-RDJZCZTQSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CCCC1CCCCC1 ZINC000563776649 1128478459 /nfs/dbraw/zinc/47/84/59/1128478459.db2.gz DPEYFASVHQRRFY-RDJZCZTQSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CCCC1CCCCC1 ZINC000563776649 1128478460 /nfs/dbraw/zinc/47/84/60/1128478460.db2.gz DPEYFASVHQRRFY-RDJZCZTQSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CCCC1CCCCC1 ZINC000563776649 1128478461 /nfs/dbraw/zinc/47/84/61/1128478461.db2.gz DPEYFASVHQRRFY-RDJZCZTQSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCCCF)C1 ZINC000567067492 1128557794 /nfs/dbraw/zinc/55/77/94/1128557794.db2.gz BQFZRSRNPLVESN-DLBZAZTESA-N 2 1 284.463 3.713 20 0 CHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCCCF)C1 ZINC000567067492 1128557796 /nfs/dbraw/zinc/55/77/96/1128557796.db2.gz BQFZRSRNPLVESN-DLBZAZTESA-N 2 1 284.463 3.713 20 0 CHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCCCF)C1 ZINC000567067492 1128557798 /nfs/dbraw/zinc/55/77/98/1128557798.db2.gz BQFZRSRNPLVESN-DLBZAZTESA-N 2 1 284.463 3.713 20 0 CHADMP Cn1c[nH+]cc1CCC[NH+](CC(C)(C)C)CC(C)(C)C ZINC000565159407 1128520495 /nfs/dbraw/zinc/52/04/95/1128520495.db2.gz XOCNQEZVNWQNLB-UHFFFAOYSA-N 2 1 279.472 3.747 20 0 CHADMP CC(C)C[N@H+](CCCc1c[nH+]cn1C)CCc1ccccc1 ZINC000565160850 1128521060 /nfs/dbraw/zinc/52/10/60/1128521060.db2.gz DJGBVLJCEMIWEU-UHFFFAOYSA-N 2 1 299.462 3.553 20 0 CHADMP CC(C)C[N@@H+](CCCc1c[nH+]cn1C)CCc1ccccc1 ZINC000565160850 1128521062 /nfs/dbraw/zinc/52/10/62/1128521062.db2.gz DJGBVLJCEMIWEU-UHFFFAOYSA-N 2 1 299.462 3.553 20 0 CHADMP CCCCC[C@H](C)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001257508934 1128521876 /nfs/dbraw/zinc/52/18/76/1128521876.db2.gz LYFLOCIFZPBPFH-JKSUJKDBSA-N 2 1 254.462 3.796 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCCC23CC3)CC1 ZINC000565241992 1128522676 /nfs/dbraw/zinc/52/26/76/1128522676.db2.gz BADVPJQKAKMSRR-LJQANCHMSA-N 2 1 298.474 3.882 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000566230375 1128540806 /nfs/dbraw/zinc/54/08/06/1128540806.db2.gz KMJCHXRFFNPZHQ-AABGKKOBSA-N 2 1 298.474 3.572 20 0 CHADMP CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000129435514 1128541159 /nfs/dbraw/zinc/54/11/59/1128541159.db2.gz IFNYFGRWWCXWPU-RVKKMQEKSA-N 2 1 274.452 3.943 20 0 CHADMP CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000129435514 1128541162 /nfs/dbraw/zinc/54/11/62/1128541162.db2.gz IFNYFGRWWCXWPU-RVKKMQEKSA-N 2 1 274.452 3.943 20 0 CHADMP C[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc(C(C)(C)C)cc1 ZINC000567088394 1128557326 /nfs/dbraw/zinc/55/73/26/1128557326.db2.gz HEECYOLMCKMRMV-CJNGLKHVSA-N 2 1 297.446 3.915 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC2CCCCCC2)CC1 ZINC000567312516 1128562162 /nfs/dbraw/zinc/56/21/62/1128562162.db2.gz WYANCOKQNZLNBU-KRWDZBQOSA-N 2 1 266.473 3.763 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2)C2CC2)[C@H](C)C1 ZINC000556211070 1128564353 /nfs/dbraw/zinc/56/43/53/1128564353.db2.gz YOWUDOIYZBCUAG-LZQZEXGQSA-N 2 1 286.463 3.500 20 0 CHADMP Clc1ccc2c(c1)CC[C@@H]2N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000130110241 1128566194 /nfs/dbraw/zinc/56/61/94/1128566194.db2.gz DVASDGPRIGEZMZ-GVDBMIGSSA-N 2 1 290.838 3.544 20 0 CHADMP Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000130110241 1128566197 /nfs/dbraw/zinc/56/61/97/1128566197.db2.gz DVASDGPRIGEZMZ-GVDBMIGSSA-N 2 1 290.838 3.544 20 0 CHADMP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000130160637 1128569139 /nfs/dbraw/zinc/56/91/39/1128569139.db2.gz GFFPHVZCJPIYDD-GVDBMIGSSA-N 2 1 272.436 3.581 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000130221604 1128573238 /nfs/dbraw/zinc/57/32/38/1128573238.db2.gz NDKLBGVATGHATI-DAXOMENPSA-N 2 1 278.827 3.617 20 0 CHADMP C[N@@H+](CCCCCCC[NH3+])Cc1ccc(Cl)s1 ZINC000042489367 1128576951 /nfs/dbraw/zinc/57/69/51/1128576951.db2.gz LTCWVWBARHPFNY-UHFFFAOYSA-N 2 1 274.861 3.743 20 0 CHADMP CC(C)[N@H+](CCCc1c[nH+]cn1C)[C@@H](C)c1ccccc1 ZINC000568177556 1128579801 /nfs/dbraw/zinc/57/98/01/1128579801.db2.gz YIYYQOAZOUWFBO-INIZCTEOSA-N 2 1 285.435 3.824 20 0 CHADMP CC(C)[N@@H+](CCCc1c[nH+]cn1C)[C@@H](C)c1ccccc1 ZINC000568177556 1128579803 /nfs/dbraw/zinc/57/98/03/1128579803.db2.gz YIYYQOAZOUWFBO-INIZCTEOSA-N 2 1 285.435 3.824 20 0 CHADMP C[N@@H+](CCCn1ccnc1)Cc1ccc(Cl)c(Cl)c1 ZINC000130364336 1128580825 /nfs/dbraw/zinc/58/08/25/1128580825.db2.gz PFUNXHRWUMVGGZ-UHFFFAOYSA-N 2 1 298.217 3.712 20 0 CHADMP CC[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000071105380 1128583488 /nfs/dbraw/zinc/58/34/88/1128583488.db2.gz FMXDZQUFTILFQK-BBWFWOEESA-N 2 1 266.473 3.809 20 0 CHADMP CC(C)[C@@H](c1ccccc1Cl)[N@@H+](C)CCn1ccnc1 ZINC000131333599 1128614662 /nfs/dbraw/zinc/61/46/62/1128614662.db2.gz OZJSNVKORJAHRM-INIZCTEOSA-N 2 1 291.826 3.866 20 0 CHADMP C[C@H]1C[C@@H](NC[C@@H]2CCC[N@@H+](C)C2)c2ccsc2S1 ZINC000130566221 1128587008 /nfs/dbraw/zinc/58/70/08/1128587008.db2.gz BHPFKLXSRSAYFN-SGMGOOAPSA-N 2 1 296.505 3.605 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCN(C)C2)c2ccsc2S1 ZINC000130566221 1128587011 /nfs/dbraw/zinc/58/70/11/1128587011.db2.gz BHPFKLXSRSAYFN-SGMGOOAPSA-N 2 1 296.505 3.605 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)c2ccsc2S1 ZINC000130566221 1128587014 /nfs/dbraw/zinc/58/70/14/1128587014.db2.gz BHPFKLXSRSAYFN-SGMGOOAPSA-N 2 1 296.505 3.605 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)c2ccsc2S1 ZINC000130566221 1128587017 /nfs/dbraw/zinc/58/70/17/1128587017.db2.gz BHPFKLXSRSAYFN-SGMGOOAPSA-N 2 1 296.505 3.605 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000130727521 1128593107 /nfs/dbraw/zinc/59/31/07/1128593107.db2.gz PVZDDYRWWAQGSV-NZSAHSFTSA-N 2 1 286.463 3.644 20 0 CHADMP Cc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c(C)c1Cl ZINC001236213566 1128615481 /nfs/dbraw/zinc/61/54/81/1128615481.db2.gz CAKJELRXHQUAGO-LSDHHAIUSA-N 2 1 280.843 3.659 20 0 CHADMP Cc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c(C)c1Cl ZINC001236213566 1128615483 /nfs/dbraw/zinc/61/54/83/1128615483.db2.gz CAKJELRXHQUAGO-LSDHHAIUSA-N 2 1 280.843 3.659 20 0 CHADMP Cc1cc(Cl)cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000569125279 1128599252 /nfs/dbraw/zinc/59/92/52/1128599252.db2.gz KKUFFVLZYRQGLI-UHFFFAOYSA-N 2 1 292.854 3.612 20 0 CHADMP CCC[N@H+](Cc1scc(C)c1Cl)C1CC[NH2+]CC1 ZINC001236181745 1128599613 /nfs/dbraw/zinc/59/96/13/1128599613.db2.gz CXVRFJSJRRDPEM-UHFFFAOYSA-N 2 1 286.872 3.674 20 0 CHADMP CCC[N@@H+](Cc1scc(C)c1Cl)C1CC[NH2+]CC1 ZINC001236181745 1128599615 /nfs/dbraw/zinc/59/96/15/1128599615.db2.gz CXVRFJSJRRDPEM-UHFFFAOYSA-N 2 1 286.872 3.674 20 0 CHADMP C[C@@H](CCC(C)(C)C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000556583402 1128605522 /nfs/dbraw/zinc/60/55/22/1128605522.db2.gz IKKFKXACVQGVGK-YESZJQIVSA-N 2 1 298.515 3.680 20 0 CHADMP C[C@H](CCC(C)(C)C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000556583403 1128605602 /nfs/dbraw/zinc/60/56/02/1128605602.db2.gz IKKFKXACVQGVGK-ZACQAIPSSA-N 2 1 298.515 3.680 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CC(C(C)C)C(C)C)C[C@@H]1C ZINC000556602130 1128608382 /nfs/dbraw/zinc/60/83/82/1128608382.db2.gz QNBJAANMNJHTCK-JKSUJKDBSA-N 2 1 268.489 3.719 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC(C(C)C)C(C)C)C[C@@H]1C ZINC000556602130 1128608384 /nfs/dbraw/zinc/60/83/84/1128608384.db2.gz QNBJAANMNJHTCK-JKSUJKDBSA-N 2 1 268.489 3.719 20 0 CHADMP CCC[C@H](C)[N@@H+](C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC000570336167 1128621224 /nfs/dbraw/zinc/62/12/24/1128621224.db2.gz USXBFEJVSRALKB-GOEBONIOSA-N 2 1 294.508 3.999 20 0 CHADMP CCC[C@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000570336167 1128621227 /nfs/dbraw/zinc/62/12/27/1128621227.db2.gz USXBFEJVSRALKB-GOEBONIOSA-N 2 1 294.508 3.999 20 0 CHADMP CCC[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000570336167 1128621230 /nfs/dbraw/zinc/62/12/30/1128621230.db2.gz USXBFEJVSRALKB-GOEBONIOSA-N 2 1 294.508 3.999 20 0 CHADMP CCC[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000570336167 1128621233 /nfs/dbraw/zinc/62/12/33/1128621233.db2.gz USXBFEJVSRALKB-GOEBONIOSA-N 2 1 294.508 3.999 20 0 CHADMP CCC[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000570336167 1128621234 /nfs/dbraw/zinc/62/12/34/1128621234.db2.gz USXBFEJVSRALKB-GOEBONIOSA-N 2 1 294.508 3.999 20 0 CHADMP CC(C)c1cccc(C[N@@H+](C)CCCn2ccnc2)c1 ZINC000660149721 1128625791 /nfs/dbraw/zinc/62/57/91/1128625791.db2.gz RYYOBTJMFBQPTN-UHFFFAOYSA-N 2 1 271.408 3.529 20 0 CHADMP Cc1c(C)c(C)c(C[N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)c(C)c1C ZINC001236223054 1128626419 /nfs/dbraw/zinc/62/64/19/1128626419.db2.gz LATZBKSIPMKNRJ-IYARVYRRSA-N 2 1 288.479 3.930 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+](CCn1ccnc1)CC(C)C ZINC000499052741 1128636193 /nfs/dbraw/zinc/63/61/93/1128636193.db2.gz KLGQHGNZUCICOM-GOSISDBHSA-N 2 1 285.435 3.992 20 0 CHADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(C)C)cc2)C1 ZINC000072859129 1128634568 /nfs/dbraw/zinc/63/45/68/1128634568.db2.gz NIRFIRUQONXIGE-QGZVFWFLSA-N 2 1 274.452 3.584 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(C)C)cc2)C1 ZINC000072859129 1128634570 /nfs/dbraw/zinc/63/45/70/1128634570.db2.gz NIRFIRUQONXIGE-QGZVFWFLSA-N 2 1 274.452 3.584 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2)C1 ZINC000072859129 1128634573 /nfs/dbraw/zinc/63/45/73/1128634573.db2.gz NIRFIRUQONXIGE-QGZVFWFLSA-N 2 1 274.452 3.584 20 0 CHADMP CCC[C@H](C)C[N@@H+](Cc1ccco1)C1CCN(C)CC1 ZINC000574944453 1128665112 /nfs/dbraw/zinc/66/51/12/1128665112.db2.gz PKCIHUHOXYORPH-HNNXBMFYSA-N 2 1 278.440 3.612 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CC(C)=C[C@H](C)C2)C1 ZINC000577945714 1128700233 /nfs/dbraw/zinc/70/02/33/1128700233.db2.gz VIUOUIDQQSPSOW-SZMVWBNQSA-N 2 1 278.484 3.643 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](CCC(C)C)C(C)(C)C)C1 ZINC000578694300 1128726822 /nfs/dbraw/zinc/72/68/22/1128726822.db2.gz PPWBGRXSNNZARX-HZPDHXFCSA-N 2 1 268.489 3.769 20 0 CHADMP [NH3+][C@@H]1CC[N@H+](CCCC2CCCCC2)C[C@@H]1C(F)(F)F ZINC001236351159 1128727659 /nfs/dbraw/zinc/72/76/59/1128727659.db2.gz FGZNWGZPMOKPHP-UONOGXRCSA-N 2 1 292.389 3.558 20 0 CHADMP [NH3+][C@@H]1CC[N@@H+](CCCC2CCCCC2)C[C@@H]1C(F)(F)F ZINC001236351159 1128727662 /nfs/dbraw/zinc/72/76/62/1128727662.db2.gz FGZNWGZPMOKPHP-UONOGXRCSA-N 2 1 292.389 3.558 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)c(Cl)c1 ZINC000643546992 1117793478 /nfs/dbraw/zinc/79/34/78/1117793478.db2.gz YDYHKGSXCDTMLN-DGCLKSJQSA-N 2 1 296.817 3.804 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)s1 ZINC000643546263 1117794006 /nfs/dbraw/zinc/79/40/06/1117794006.db2.gz LMFDTHGYXDKXKC-MNOVXSKESA-N 2 1 284.856 3.727 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430164938 1117800869 /nfs/dbraw/zinc/80/08/69/1117800869.db2.gz MZSXIRIRUKPOFF-QZTJIDSGSA-N 2 1 278.484 3.787 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000430164938 1117800874 /nfs/dbraw/zinc/80/08/74/1117800874.db2.gz MZSXIRIRUKPOFF-QZTJIDSGSA-N 2 1 278.484 3.787 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000430164938 1117800879 /nfs/dbraw/zinc/80/08/79/1117800879.db2.gz MZSXIRIRUKPOFF-QZTJIDSGSA-N 2 1 278.484 3.787 20 0 CHADMP CCC1CC([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000579014813 1128735907 /nfs/dbraw/zinc/73/59/07/1128735907.db2.gz HZAQMJMBFWUJKY-VMBOVVBDSA-N 2 1 264.457 3.562 20 0 CHADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c(C)s1 ZINC000623347604 1117838513 /nfs/dbraw/zinc/83/85/13/1117838513.db2.gz FSWGCUWDIFEFGQ-GXTWGEPZSA-N 2 1 280.481 3.888 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623358254 1117841043 /nfs/dbraw/zinc/84/10/43/1117841043.db2.gz VOMBMNOMIAPPKK-MVJTYMMSSA-N 2 1 278.484 3.523 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3s2)CC1(C)C ZINC000623376934 1117844374 /nfs/dbraw/zinc/84/43/74/1117844374.db2.gz IJJCTZIMGUUQNS-AWEZNQCLSA-N 2 1 288.460 3.864 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc3ccccc32)CC1(C)C ZINC000623385039 1117847970 /nfs/dbraw/zinc/84/79/70/1117847970.db2.gz ZCRGILHZQYAOOT-QGZVFWFLSA-N 2 1 282.431 3.802 20 0 CHADMP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623398479 1117850589 /nfs/dbraw/zinc/85/05/89/1117850589.db2.gz HIANBRXWPOAQKP-OAGGEKHMSA-N 2 1 266.473 3.808 20 0 CHADMP CCCC[C@@H](CCC)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623440088 1117856659 /nfs/dbraw/zinc/85/66/59/1117856659.db2.gz IJLJWPRGZZFMKG-HUUCEWRRSA-N 2 1 254.462 3.808 20 0 CHADMP C[C@@H]1CCc2ccccc2[C@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623476793 1117863361 /nfs/dbraw/zinc/86/33/61/1117863361.db2.gz PBSLTRXSPUAHMC-HFTRVMKXSA-N 2 1 286.463 3.772 20 0 CHADMP C[C@@H](CC1CCCCC1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623508896 1117863591 /nfs/dbraw/zinc/86/35/91/1117863591.db2.gz LEUYBAFIKPRFRI-HOCLYGCPSA-N 2 1 266.473 3.808 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCCc3ccc(F)cc32)CC1(C)C ZINC000623511350 1117863619 /nfs/dbraw/zinc/86/36/19/1117863619.db2.gz LPPNAIAGNXBPQB-WBVHZDCISA-N 2 1 290.426 3.666 20 0 CHADMP CSc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623514395 1117864855 /nfs/dbraw/zinc/86/48/55/1117864855.db2.gz MLLMHBQRJFFGSH-KBPBESRZSA-N 2 1 292.492 3.932 20 0 CHADMP CSc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623514395 1117864859 /nfs/dbraw/zinc/86/48/59/1117864859.db2.gz MLLMHBQRJFFGSH-KBPBESRZSA-N 2 1 292.492 3.932 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc3sccc3c2)CC1(C)C ZINC000623527316 1117867271 /nfs/dbraw/zinc/86/72/71/1117867271.db2.gz OXBAYVSRSLDUMO-OAHLLOKOSA-N 2 1 288.460 3.864 20 0 CHADMP CCCCCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185725282 1117879038 /nfs/dbraw/zinc/87/90/38/1117879038.db2.gz UOFUTKNBNHUFID-CVEARBPZSA-N 2 1 266.473 3.809 20 0 CHADMP CC[C@H](C[NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000623657490 1117885690 /nfs/dbraw/zinc/88/56/90/1117885690.db2.gz RPXGQSHOKDHOQI-IAGOWNOFSA-N 2 1 274.452 3.502 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+](CCCC2CC2)CC1 ZINC001167076387 1117901194 /nfs/dbraw/zinc/90/11/94/1117901194.db2.gz FXTZZYUXRNQPNU-UHFFFAOYSA-N 2 1 266.473 3.621 20 0 CHADMP C[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC000097603053 1117904711 /nfs/dbraw/zinc/90/47/11/1117904711.db2.gz KNFBADINXWAJPR-MRXNPFEDSA-N 2 1 288.479 3.923 20 0 CHADMP CCCC[N@H+](C)CC1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000254975176 1117929634 /nfs/dbraw/zinc/92/96/34/1117929634.db2.gz PJVGRTMCCMTYEH-GXDHUFHOSA-N 2 1 293.282 3.749 20 0 CHADMP CCCC[N@@H+](C)CC1CCN(C/C(Cl)=C\Cl)CC1 ZINC000254975176 1117929631 /nfs/dbraw/zinc/92/96/31/1117929631.db2.gz PJVGRTMCCMTYEH-GXDHUFHOSA-N 2 1 293.282 3.749 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cc(C)ccc1C ZINC000623867009 1117948037 /nfs/dbraw/zinc/94/80/37/1117948037.db2.gz NGDSZVUDBBOWDQ-AEFFLSMTSA-N 2 1 274.452 3.686 20 0 CHADMP CC[C@@H](CCc1ccccc1)[NH2+]CCCCn1cc[nH+]c1C ZINC000623899071 1117950767 /nfs/dbraw/zinc/95/07/67/1117950767.db2.gz ZQVDBJAPPNUPMF-IBGZPJMESA-N 2 1 299.462 3.973 20 0 CHADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(C)ccc1C ZINC000623928246 1117954506 /nfs/dbraw/zinc/95/45/06/1117954506.db2.gz JHUNBRVHJGBDIA-SFHVURJKSA-N 2 1 272.436 3.606 20 0 CHADMP C[N@@H+]1CC[C@@H](Nc2cccc3cc[nH+]cc32)CC1(C)C ZINC000623953727 1117961025 /nfs/dbraw/zinc/96/10/25/1117961025.db2.gz NIGMNWPZBLLKEY-CQSZACIVSA-N 2 1 269.392 3.520 20 0 CHADMP C[N@H+]1CC[C@@H](Nc2cccc3cc[nH+]cc32)CC1(C)C ZINC000623953727 1117961028 /nfs/dbraw/zinc/96/10/28/1117961028.db2.gz NIGMNWPZBLLKEY-CQSZACIVSA-N 2 1 269.392 3.520 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+]CC34CCC(CC3)C4)CC2)cc1 ZINC000339790355 1117975683 /nfs/dbraw/zinc/97/56/83/1117975683.db2.gz AEOYRYHVGYHNHL-UHFFFAOYSA-N 2 1 298.474 3.821 20 0 CHADMP CCCC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000579877966 1117979549 /nfs/dbraw/zinc/97/95/49/1117979549.db2.gz YMOACVAIBDUHCM-YESZJQIVSA-N 2 1 268.489 3.911 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc2ccccc2o1 ZINC000624120102 1117984555 /nfs/dbraw/zinc/98/45/55/1117984555.db2.gz RJOQOROWNUUUTG-GJZGRUSLSA-N 2 1 286.419 3.815 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc2ccccc2o1 ZINC000624120102 1117984559 /nfs/dbraw/zinc/98/45/59/1117984559.db2.gz RJOQOROWNUUUTG-GJZGRUSLSA-N 2 1 286.419 3.815 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(C)c1 ZINC000624119549 1117985031 /nfs/dbraw/zinc/98/50/31/1117985031.db2.gz DXJMZTXMBHHISL-IAGOWNOFSA-N 2 1 274.452 3.686 20 0 CHADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000624121732 1117985141 /nfs/dbraw/zinc/98/51/41/1117985141.db2.gz CCCZGZBHLWIZEQ-KBXCAEBGSA-N 2 1 290.426 3.598 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1csc(Cl)c1 ZINC000624123571 1117986941 /nfs/dbraw/zinc/98/69/41/1117986941.db2.gz OKDFTJBTXZGLSX-NEPJUHHUSA-N 2 1 286.872 3.784 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1csc(Cl)c1 ZINC000624123571 1117986945 /nfs/dbraw/zinc/98/69/45/1117986945.db2.gz OKDFTJBTXZGLSX-NEPJUHHUSA-N 2 1 286.872 3.784 20 0 CHADMP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624123501 1117987698 /nfs/dbraw/zinc/98/76/98/1117987698.db2.gz NFQJPMOUDYVKSA-JYJNAYRXSA-N 2 1 254.462 3.523 20 0 CHADMP CC(C)[C@H](C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000232756175 1117988436 /nfs/dbraw/zinc/98/84/36/1117988436.db2.gz ULQLUEHZVOXXFG-MJGOQNOKSA-N 2 1 288.479 3.746 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3cc(F)ccc32)C1 ZINC000182564103 1118025109 /nfs/dbraw/zinc/02/51/09/1118025109.db2.gz WLRAOQLBVXACLD-RDTXWAMCSA-N 2 1 290.426 3.525 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CC(c3cccc(Cl)c3)C2)C1 ZINC000037644386 1118032729 /nfs/dbraw/zinc/03/27/29/1118032729.db2.gz QJZWUJXVZKNPHF-KTAKPFMOSA-N 2 1 292.854 3.517 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1ccoc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183191591 1118040251 /nfs/dbraw/zinc/04/02/51/1118040251.db2.gz YCSOCGXYONDSHA-QLFBSQMISA-N 2 1 276.424 3.583 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1ccoc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183191591 1118040256 /nfs/dbraw/zinc/04/02/56/1118040256.db2.gz YCSOCGXYONDSHA-QLFBSQMISA-N 2 1 276.424 3.583 20 0 CHADMP Cc1nc(C)c([C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)s1 ZINC000184499584 1118054181 /nfs/dbraw/zinc/05/41/81/1118054181.db2.gz HKRJSOGFACILTQ-OLZOCXBDSA-N 2 1 295.496 3.675 20 0 CHADMP CCCC[C@H]([NH2+]CCCCn1cc[nH+]c1C)C1CCC1 ZINC000184904231 1118058190 /nfs/dbraw/zinc/05/81/90/1118058190.db2.gz SRTUMLZOGVGPDB-KRWDZBQOSA-N 2 1 277.456 3.920 20 0 CHADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417302582 1118066989 /nfs/dbraw/zinc/06/69/89/1118066989.db2.gz CLXBWQJITQSVKE-LJISPDSOSA-N 2 1 280.481 3.560 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1CCC2(CC2)CC1 ZINC000362918192 1118083621 /nfs/dbraw/zinc/08/36/21/1118083621.db2.gz MGRYQPBXWKCLBI-MRXNPFEDSA-N 2 1 278.484 3.953 20 0 CHADMP CC(C)Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000094896220 1118153064 /nfs/dbraw/zinc/15/30/64/1118153064.db2.gz ZDZPHZSGTCNJRC-IBGZPJMESA-N 2 1 288.479 3.705 20 0 CHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)CC1CCCCC1 ZINC001648818488 1118229735 /nfs/dbraw/zinc/22/97/35/1118229735.db2.gz BACKKULSUICNPR-RYQLBKOJSA-N 2 1 278.484 3.809 20 0 CHADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)CC1CCCCC1 ZINC001648818488 1118229739 /nfs/dbraw/zinc/22/97/39/1118229739.db2.gz BACKKULSUICNPR-RYQLBKOJSA-N 2 1 278.484 3.809 20 0 CHADMP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000121449098 1118230822 /nfs/dbraw/zinc/23/08/22/1118230822.db2.gz CLCDIPRKOXFOEV-APWZRJJASA-N 2 1 299.462 3.829 20 0 CHADMP CC(C)CC[C@@H]([NH2+]C1CC[NH+](C)CC1)C(C)(C)C ZINC000121809276 1118237200 /nfs/dbraw/zinc/23/72/00/1118237200.db2.gz JXXXZYOGUIOWMV-OAHLLOKOSA-N 2 1 254.462 3.521 20 0 CHADMP Cc1cc([C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c(C)o1 ZINC000683692294 1118288556 /nfs/dbraw/zinc/28/85/56/1118288556.db2.gz RRKFDPBAHWREJE-HIFRSBDPSA-N 2 1 278.440 3.812 20 0 CHADMP CC(C)(C)c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)s1 ZINC000126316641 1118359206 /nfs/dbraw/zinc/35/92/06/1118359206.db2.gz PCOGZPCUOMNBGC-UHFFFAOYSA-N 2 1 292.492 3.762 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3cnccc3c2)C[C@@H]1C ZINC000683831055 1118398595 /nfs/dbraw/zinc/39/85/95/1118398595.db2.gz GLGSGXFWOUGYHF-HNAYVOBHSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc3cnccc3c2)C[C@@H]1C ZINC000683831055 1118398601 /nfs/dbraw/zinc/39/86/01/1118398601.db2.gz GLGSGXFWOUGYHF-HNAYVOBHSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc3cnccc3c2)C[C@@H]1C ZINC000683831055 1118398606 /nfs/dbraw/zinc/39/86/06/1118398606.db2.gz GLGSGXFWOUGYHF-HNAYVOBHSA-N 2 1 297.446 3.539 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1cccs1 ZINC000086818931 1118399847 /nfs/dbraw/zinc/39/98/47/1118399847.db2.gz KTOJMQRFGBMGBM-KGLIPLIRSA-N 2 1 266.454 3.663 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@H+](C/C(C)=C\c2ccccc2)C1 ZINC000255208287 1118404079 /nfs/dbraw/zinc/40/40/79/1118404079.db2.gz QMJLMSVTUYXMFA-BLMOFCDVSA-N 2 1 286.463 3.754 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C/C(C)=C\c2ccccc2)C1 ZINC000255208287 1118404083 /nfs/dbraw/zinc/40/40/83/1118404083.db2.gz QMJLMSVTUYXMFA-BLMOFCDVSA-N 2 1 286.463 3.754 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000683928640 1118447764 /nfs/dbraw/zinc/44/77/64/1118447764.db2.gz UMQDDBCNZDAGKB-MRXNPFEDSA-N 2 1 299.462 3.626 20 0 CHADMP CCC(CC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398185349 1118497277 /nfs/dbraw/zinc/49/72/77/1118497277.db2.gz LFBCWARMNKTDGT-CRAIPNDOSA-N 2 1 274.452 3.675 20 0 CHADMP CCC(CC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398185349 1118497280 /nfs/dbraw/zinc/49/72/80/1118497280.db2.gz LFBCWARMNKTDGT-CRAIPNDOSA-N 2 1 274.452 3.675 20 0 CHADMP CC(C)[C@@H](C[N@@H+](C)CCCn1ccnc1)c1ccccc1 ZINC000349347867 1118501596 /nfs/dbraw/zinc/50/15/96/1118501596.db2.gz MSTKYDZQMBERIH-GOSISDBHSA-N 2 1 285.435 3.645 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC000580839341 1118512381 /nfs/dbraw/zinc/51/23/81/1118512381.db2.gz PXOYMNQNGCREIG-QGZVFWFLSA-N 2 1 266.473 3.621 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC000580839341 1118512385 /nfs/dbraw/zinc/51/23/85/1118512385.db2.gz PXOYMNQNGCREIG-QGZVFWFLSA-N 2 1 266.473 3.621 20 0 CHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@H]3CC34CC4)CC23CC3)cc1 ZINC000580892116 1118517163 /nfs/dbraw/zinc/51/71/63/1118517163.db2.gz CNGBCZDRYIZJKQ-MSOLQXFVSA-N 2 1 296.458 3.573 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@H]3CC34CC4)CC23CC3)cc1 ZINC000580892116 1118517164 /nfs/dbraw/zinc/51/71/64/1118517164.db2.gz CNGBCZDRYIZJKQ-MSOLQXFVSA-N 2 1 296.458 3.573 20 0 CHADMP CCCc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)s1 ZINC000621717897 1118540401 /nfs/dbraw/zinc/54/04/01/1118540401.db2.gz RTBTYTPZSQGGQG-KBPBESRZSA-N 2 1 280.481 3.615 20 0 CHADMP CCCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)s1 ZINC000621717897 1118540403 /nfs/dbraw/zinc/54/04/03/1118540403.db2.gz RTBTYTPZSQGGQG-KBPBESRZSA-N 2 1 280.481 3.615 20 0 CHADMP CCCc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000621717897 1118540406 /nfs/dbraw/zinc/54/04/06/1118540406.db2.gz RTBTYTPZSQGGQG-KBPBESRZSA-N 2 1 280.481 3.615 20 0 CHADMP CCCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000621717897 1118540407 /nfs/dbraw/zinc/54/04/07/1118540407.db2.gz RTBTYTPZSQGGQG-KBPBESRZSA-N 2 1 280.481 3.615 20 0 CHADMP CCCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)s1 ZINC000621717899 1118540736 /nfs/dbraw/zinc/54/07/36/1118540736.db2.gz RTBTYTPZSQGGQG-UONOGXRCSA-N 2 1 280.481 3.615 20 0 CHADMP CCCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)s1 ZINC000621717899 1118540737 /nfs/dbraw/zinc/54/07/37/1118540737.db2.gz RTBTYTPZSQGGQG-UONOGXRCSA-N 2 1 280.481 3.615 20 0 CHADMP CCCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000621717899 1118540739 /nfs/dbraw/zinc/54/07/39/1118540739.db2.gz RTBTYTPZSQGGQG-UONOGXRCSA-N 2 1 280.481 3.615 20 0 CHADMP CCCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000621717899 1118540740 /nfs/dbraw/zinc/54/07/40/1118540740.db2.gz RTBTYTPZSQGGQG-UONOGXRCSA-N 2 1 280.481 3.615 20 0 CHADMP CC(C)c1ccc(C(C)(C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000656469150 1118559868 /nfs/dbraw/zinc/55/98/68/1118559868.db2.gz YOQCWYSLCPCJPN-UHFFFAOYSA-N 2 1 285.435 3.611 20 0 CHADMP C[C@H]1CCC[C@](C[NH2+]CC2CCCCC2)([NH+](C)C)C1 ZINC000109924066 1118589646 /nfs/dbraw/zinc/58/96/46/1118589646.db2.gz XDQMVKZYCKIWGE-RDJZCZTQSA-N 2 1 266.473 3.667 20 0 CHADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc(Cl)c1 ZINC000341106599 1118603014 /nfs/dbraw/zinc/60/30/14/1118603014.db2.gz QUUPOAOXWFRTAI-HZPDHXFCSA-N 2 1 280.843 3.865 20 0 CHADMP C[C@H](c1ccccc1)[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000394916381 1118623749 /nfs/dbraw/zinc/62/37/49/1118623749.db2.gz JOMJEBYWRBSGEB-OAHLLOKOSA-N 2 1 280.415 3.525 20 0 CHADMP c1c(C[N@@H+](Cc2ccccc2)C2CC2)sc2c1C[NH2+]CC2 ZINC000687962759 1128794454 /nfs/dbraw/zinc/79/44/54/1128794454.db2.gz WTYOQSBAVZBEIR-UHFFFAOYSA-N 2 1 298.455 3.558 20 0 CHADMP C[NH+](C)C1(C[NH2+][C@H]2CCCC(C)(C)CC2)CCCC1 ZINC000131981622 1118714874 /nfs/dbraw/zinc/71/48/74/1118714874.db2.gz DRBYZXSRBATYKZ-HNNXBMFYSA-N 2 1 266.473 3.809 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C)cc2C)CC1 ZINC000510470710 1118715954 /nfs/dbraw/zinc/71/59/54/1118715954.db2.gz YAGMFLDTYSUVGX-UHFFFAOYSA-N 2 1 274.452 3.610 20 0 CHADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000131520275 1118761169 /nfs/dbraw/zinc/76/11/69/1118761169.db2.gz PAQZEXNTSOUZGE-RDJZCZTQSA-N 2 1 280.415 3.523 20 0 CHADMP C[C@@H]([NH2+]CC1=CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000401090818 1118778900 /nfs/dbraw/zinc/77/89/00/1118778900.db2.gz VLRPRKUJBQPAAI-APWZRJJASA-N 2 1 284.447 3.597 20 0 CHADMP Cc1cccc(-c2ccc(C[NH2+]C3CC[NH+](C)CC3)cc2)c1 ZINC000129323670 1118789296 /nfs/dbraw/zinc/78/92/96/1118789296.db2.gz WJXAECDCHHPCPB-UHFFFAOYSA-N 2 1 294.442 3.846 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3ccc(C)cc32)[C@H](C)C1 ZINC000426351336 1118793740 /nfs/dbraw/zinc/79/37/40/1118793740.db2.gz KNWOXNDLGGOMIV-ATZDWAIDSA-N 2 1 286.463 3.692 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2CCCF)C1 ZINC000510752890 1118806840 /nfs/dbraw/zinc/80/68/40/1118806840.db2.gz OCHDAKLUSZLKDA-KURKYZTESA-N 2 1 298.490 3.862 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(Cl)c(F)c2)C1 ZINC000535777447 1118883835 /nfs/dbraw/zinc/88/38/35/1118883835.db2.gz GTYFQULJZVNJAR-OLZOCXBDSA-N 2 1 298.833 3.862 20 0 CHADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCCC(C)(C)C3)CC[C@H]21 ZINC000535808491 1118890236 /nfs/dbraw/zinc/89/02/36/1118890236.db2.gz IJBDOWDOBHAMGN-GVDBMIGSSA-N 2 1 278.484 3.619 20 0 CHADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CCCC(C)(C)C3)CC[C@H]21 ZINC000535808491 1118890242 /nfs/dbraw/zinc/89/02/42/1118890242.db2.gz IJBDOWDOBHAMGN-GVDBMIGSSA-N 2 1 278.484 3.619 20 0 CHADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CCCC(C)(C)C3)CC[C@H]21 ZINC000535808491 1118890250 /nfs/dbraw/zinc/89/02/50/1118890250.db2.gz IJBDOWDOBHAMGN-GVDBMIGSSA-N 2 1 278.484 3.619 20 0 CHADMP Cc1cc(C[NH2+]C2CC[NH+](C)CC2)ccc1-c1ccccc1 ZINC000187750305 1118975436 /nfs/dbraw/zinc/97/54/36/1118975436.db2.gz ZNSALNBIOSCZKN-UHFFFAOYSA-N 2 1 294.442 3.846 20 0 CHADMP CC1=CC[C@H](CC[NH+]2CCC([N@@H+](C)C3CC3)CC2)C1(C)C ZINC001207274980 1118991667 /nfs/dbraw/zinc/99/16/67/1118991667.db2.gz GSMAAIBODPOARN-MRXNPFEDSA-N 2 1 290.495 3.928 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1Cc2ccccc2C2(CCC2)C1 ZINC000375684199 1119043027 /nfs/dbraw/zinc/04/30/27/1119043027.db2.gz DGDIUCGWSJJYIE-UHFFFAOYSA-N 2 1 295.430 3.519 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1Cc2ccccc2C2(CCC2)C1 ZINC000375684199 1119043032 /nfs/dbraw/zinc/04/30/32/1119043032.db2.gz DGDIUCGWSJJYIE-UHFFFAOYSA-N 2 1 295.430 3.519 20 0 CHADMP Cc1nccn1CC[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000342573999 1119089145 /nfs/dbraw/zinc/08/91/45/1119089145.db2.gz HGSPJFSVNPRTGE-KRWDZBQOSA-N 2 1 275.440 3.626 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1CC1CCCCC1 ZINC000342573999 1119089147 /nfs/dbraw/zinc/08/91/47/1119089147.db2.gz HGSPJFSVNPRTGE-KRWDZBQOSA-N 2 1 275.440 3.626 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000342573999 1119089151 /nfs/dbraw/zinc/08/91/51/1119089151.db2.gz HGSPJFSVNPRTGE-KRWDZBQOSA-N 2 1 275.440 3.626 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1c(C)cccc1C ZINC000342784542 1119165731 /nfs/dbraw/zinc/16/57/31/1119165731.db2.gz QLFAGYNJQSKFBT-MRXNPFEDSA-N 2 1 285.435 3.939 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1Cc1ccccc1C ZINC000342866361 1119219170 /nfs/dbraw/zinc/21/91/70/1119219170.db2.gz ZZZWDRRYHWPRKK-LJQANCHMSA-N 2 1 297.446 3.597 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1Cc1ccccc1C ZINC000342866361 1119219173 /nfs/dbraw/zinc/21/91/73/1119219173.db2.gz ZZZWDRRYHWPRKK-LJQANCHMSA-N 2 1 297.446 3.597 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000124817383 1119321449 /nfs/dbraw/zinc/32/14/49/1119321449.db2.gz AATLCUVJJCBYPK-LBPRGKRZSA-N 2 1 293.361 3.553 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000124817383 1119321452 /nfs/dbraw/zinc/32/14/52/1119321452.db2.gz AATLCUVJJCBYPK-LBPRGKRZSA-N 2 1 293.361 3.553 20 0 CHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]C3CCCC3)C3(CCC3)C2)cc1 ZINC000657771871 1119380598 /nfs/dbraw/zinc/38/05/98/1119380598.db2.gz OODXMWZEFUYXML-SFHVURJKSA-N 2 1 298.474 3.821 20 0 CHADMP CC1(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000657773862 1119384367 /nfs/dbraw/zinc/38/43/67/1119384367.db2.gz UWQAFWCKTZLLMC-GOSISDBHSA-N 2 1 298.474 3.678 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000583646398 1119389614 /nfs/dbraw/zinc/38/96/14/1119389614.db2.gz YTHRDNZSMLEWSR-MRXNPFEDSA-N 2 1 292.854 3.793 20 0 CHADMP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000583733527 1119404601 /nfs/dbraw/zinc/40/46/01/1119404601.db2.gz QDJBQMQRUOLVLU-IXDOHACOSA-N 2 1 266.473 3.523 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000151134535 1119409088 /nfs/dbraw/zinc/40/90/88/1119409088.db2.gz KLAHBVARYCKHHI-SUMWQHHRSA-N 2 1 292.854 3.649 20 0 CHADMP CCC(CC)(C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000151221174 1119439274 /nfs/dbraw/zinc/43/92/74/1119439274.db2.gz UKAJMDICVIGJTD-WMZOPIPTSA-N 2 1 288.479 3.674 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(Cl)s1 ZINC000623348726 1119461160 /nfs/dbraw/zinc/46/11/60/1119461160.db2.gz JEILBNIUQUIHQC-QWRGUYRKSA-N 2 1 286.872 3.925 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(Cl)s1 ZINC000623348726 1119461163 /nfs/dbraw/zinc/46/11/63/1119461163.db2.gz JEILBNIUQUIHQC-QWRGUYRKSA-N 2 1 286.872 3.925 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000657824222 1119470525 /nfs/dbraw/zinc/47/05/25/1119470525.db2.gz SEQQFMGFJNBUDS-GFCCVEGCSA-N 2 1 297.393 3.544 20 0 CHADMP CCC[C@H]([NH2+]CCCc1c[nH+]cn1C)C1CCCCC1 ZINC000575326155 1119474313 /nfs/dbraw/zinc/47/43/13/1119474313.db2.gz BCAPUFAISQPLTP-KRWDZBQOSA-N 2 1 277.456 3.691 20 0 CHADMP CCOC1CCC([NH2+]CCC[N@@H+](C)C2CCCCC2)CC1 ZINC000657831139 1119481663 /nfs/dbraw/zinc/48/16/63/1119481663.db2.gz YTHROFGLFNKNGE-UHFFFAOYSA-N 2 1 296.499 3.578 20 0 CHADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000657840315 1119502792 /nfs/dbraw/zinc/50/27/92/1119502792.db2.gz DQURTGFPWWZZJN-NVXWUHKLSA-N 2 1 294.870 3.593 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ccccc1C)C(C)C ZINC000091288162 1119555129 /nfs/dbraw/zinc/55/51/29/1119555129.db2.gz DZKUMWVCPKSPOT-SFHVURJKSA-N 2 1 285.435 3.877 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1cccs1)C1CC1 ZINC000091346670 1119555357 /nfs/dbraw/zinc/55/53/57/1119555357.db2.gz UNVWGAMYQVVILC-INIZCTEOSA-N 2 1 289.448 3.774 20 0 CHADMP C[N@@H+]1CCC[C@H](CNc2cc[nH+]c3ccc(Cl)cc23)C1 ZINC000091482637 1119557266 /nfs/dbraw/zinc/55/72/66/1119557266.db2.gz YRHJXJWHTRHMES-GFCCVEGCSA-N 2 1 289.810 3.642 20 0 CHADMP C[N@H+]1CCC[C@H](CNc2cc[nH+]c3ccc(Cl)cc23)C1 ZINC000091482637 1119557270 /nfs/dbraw/zinc/55/72/70/1119557270.db2.gz YRHJXJWHTRHMES-GFCCVEGCSA-N 2 1 289.810 3.642 20 0 CHADMP c1ccc2[nH+]c(NCCCCC[NH+]3CCCCC3)[nH]c2c1 ZINC000117069878 1119575157 /nfs/dbraw/zinc/57/51/57/1119575157.db2.gz VLXLECFEEIQBSP-UHFFFAOYSA-N 2 1 286.423 3.631 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cc2ccccc2[nH]1 ZINC000926575138 1119581466 /nfs/dbraw/zinc/58/14/66/1119581466.db2.gz XTVICLKHQAUBJQ-LSDHHAIUSA-N 2 1 285.435 3.550 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000657872312 1119583652 /nfs/dbraw/zinc/58/36/52/1119583652.db2.gz MUEXPLDWPBIPHE-YVSFHVDLSA-N 2 1 278.484 3.521 20 0 CHADMP CC(C)[N@@H+](CCC[NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC000166598247 1119585688 /nfs/dbraw/zinc/58/56/88/1119585688.db2.gz SFHXNYBOMUURCI-UHFFFAOYSA-N 2 1 275.223 3.553 20 0 CHADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000685455658 1119610588 /nfs/dbraw/zinc/61/05/88/1119610588.db2.gz DYEPLTZXKGRUAL-BBWFWOEESA-N 2 1 268.489 3.767 20 0 CHADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(Cl)cc1Cl ZINC000271878070 1119614630 /nfs/dbraw/zinc/61/46/30/1119614630.db2.gz OSDIIKGDOUKOQE-NSHDSACASA-N 2 1 299.245 3.906 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000144743463 1119640450 /nfs/dbraw/zinc/64/04/50/1119640450.db2.gz OEXXLGZXNOPIEV-LBPRGKRZSA-N 2 1 277.799 3.586 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000685666185 1119650659 /nfs/dbraw/zinc/65/06/59/1119650659.db2.gz RTPAYXDSVMZAJJ-UONOGXRCSA-N 2 1 290.442 3.910 20 0 CHADMP C[C@H]([NH2+]CCC(C)(C)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658191118 1119698162 /nfs/dbraw/zinc/69/81/62/1119698162.db2.gz KNWGDPXXHJBAKK-DOTOQJQBSA-N 2 1 292.442 3.625 20 0 CHADMP C[C@H](Cc1cccs1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658229263 1119706713 /nfs/dbraw/zinc/70/67/13/1119706713.db2.gz PYPGSUHNPDOHOH-HUUCEWRRSA-N 2 1 292.492 3.676 20 0 CHADMP C[C@H](Cc1cccs1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658229263 1119706715 /nfs/dbraw/zinc/70/67/15/1119706715.db2.gz PYPGSUHNPDOHOH-HUUCEWRRSA-N 2 1 292.492 3.676 20 0 CHADMP CC(C)CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccoc1 ZINC000375889119 1119778527 /nfs/dbraw/zinc/77/85/27/1119778527.db2.gz NUWQWZQYTQUTAH-BZSNNMDCSA-N 2 1 290.451 3.973 20 0 CHADMP CC(C)CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccoc1 ZINC000375889119 1119778529 /nfs/dbraw/zinc/77/85/29/1119778529.db2.gz NUWQWZQYTQUTAH-BZSNNMDCSA-N 2 1 290.451 3.973 20 0 CHADMP Cc1ccc([C@H](C)C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000628281209 1119789582 /nfs/dbraw/zinc/78/95/82/1119789582.db2.gz HQSFURHVWTXQFJ-BHIYHBOVSA-N 2 1 286.463 3.515 20 0 CHADMP Cc1ccc([C@H](C)C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000628281209 1119789586 /nfs/dbraw/zinc/78/95/86/1119789586.db2.gz HQSFURHVWTXQFJ-BHIYHBOVSA-N 2 1 286.463 3.515 20 0 CHADMP Cc1ccc([C@H](C)C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000628281209 1119789590 /nfs/dbraw/zinc/78/95/90/1119789590.db2.gz HQSFURHVWTXQFJ-BHIYHBOVSA-N 2 1 286.463 3.515 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)cc(C)cc2C)C[C@H]1C ZINC000531139901 1119793112 /nfs/dbraw/zinc/79/31/12/1119793112.db2.gz BQXAETJUODIXPL-MSOLQXFVSA-N 2 1 288.479 3.916 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)cc(C)cc2C)C[C@H]1C ZINC000531139901 1119793115 /nfs/dbraw/zinc/79/31/15/1119793115.db2.gz BQXAETJUODIXPL-MSOLQXFVSA-N 2 1 288.479 3.916 20 0 CHADMP CC[C@H](C)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309870956 1119839180 /nfs/dbraw/zinc/83/91/80/1119839180.db2.gz GRRGYIIUMKTDAN-WMZOPIPTSA-N 2 1 274.452 3.534 20 0 CHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC000472477053 1119844858 /nfs/dbraw/zinc/84/48/58/1119844858.db2.gz KXJGCZITFMMHFS-GOSISDBHSA-N 2 1 278.484 3.621 20 0 CHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC000472477053 1119844860 /nfs/dbraw/zinc/84/48/60/1119844860.db2.gz KXJGCZITFMMHFS-GOSISDBHSA-N 2 1 278.484 3.621 20 0 CHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC000472477053 1119844862 /nfs/dbraw/zinc/84/48/62/1119844862.db2.gz KXJGCZITFMMHFS-GOSISDBHSA-N 2 1 278.484 3.621 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000892516634 1119854949 /nfs/dbraw/zinc/85/49/49/1119854949.db2.gz HXINMQJKFFHZTK-UHFFFAOYSA-N 2 1 288.357 3.583 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000892516634 1119854950 /nfs/dbraw/zinc/85/49/50/1119854950.db2.gz HXINMQJKFFHZTK-UHFFFAOYSA-N 2 1 288.357 3.583 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)[C@H]2C[C@@H]2C)CC1 ZINC000414074304 1119883448 /nfs/dbraw/zinc/88/34/48/1119883448.db2.gz OAILGAQGAJZHOF-FCEWJHQRSA-N 2 1 286.463 3.594 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000414172587 1119926562 /nfs/dbraw/zinc/92/65/62/1119926562.db2.gz FMPQAIXANGOPBN-KBPBESRZSA-N 2 1 280.843 3.723 20 0 CHADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(F)c1 ZINC000414176116 1119928198 /nfs/dbraw/zinc/92/81/98/1119928198.db2.gz HZPJKWRHYJGTDN-RHSMWYFYSA-N 2 1 278.415 3.598 20 0 CHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CC(C)(C)Cc3occc32)C1 ZINC000414180306 1119929503 /nfs/dbraw/zinc/92/95/03/1119929503.db2.gz LUUSZGBEMCTBNK-HOCLYGCPSA-N 2 1 290.451 3.615 20 0 CHADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(C)cc1 ZINC000414191965 1119931739 /nfs/dbraw/zinc/93/17/39/1119931739.db2.gz SQJGTNIQXCNRAU-AEFFLSMTSA-N 2 1 274.452 3.768 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000414201050 1119937730 /nfs/dbraw/zinc/93/77/30/1119937730.db2.gz YAPHEZWBHZXFPJ-UONOGXRCSA-N 2 1 280.481 3.693 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(Cl)nc1 ZINC000180416034 1119991429 /nfs/dbraw/zinc/99/14/29/1119991429.db2.gz ZGLCHFBYHYISGS-GFCCVEGCSA-N 2 1 295.858 3.649 20 0 CHADMP CCC[C@]1(C)CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000472593505 1119994747 /nfs/dbraw/zinc/99/47/47/1119994747.db2.gz XIZGNXLCCFJIRY-IAGOWNOFSA-N 2 1 266.473 3.763 20 0 CHADMP CCC[C@]1(C)CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000472593505 1119994751 /nfs/dbraw/zinc/99/47/51/1119994751.db2.gz XIZGNXLCCFJIRY-IAGOWNOFSA-N 2 1 266.473 3.763 20 0 CHADMP CCC[C@]1(C)CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000472593505 1119994755 /nfs/dbraw/zinc/99/47/55/1119994755.db2.gz XIZGNXLCCFJIRY-IAGOWNOFSA-N 2 1 266.473 3.763 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(C)s1 ZINC000647544367 1120003811 /nfs/dbraw/zinc/00/38/11/1120003811.db2.gz ZMGVUELCTMYLNN-JKSUJKDBSA-N 2 1 292.492 3.577 20 0 CHADMP CCC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000624119415 1120051862 /nfs/dbraw/zinc/05/18/62/1120051862.db2.gz AWTBKMGPSGUCIL-WMZOPIPTSA-N 2 1 274.452 3.849 20 0 CHADMP CC(C)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000106869044 1120056037 /nfs/dbraw/zinc/05/60/37/1120056037.db2.gz RYFGHEVBWTYEHS-ZWKOTPCHSA-N 2 1 272.436 3.526 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1coc2ccccc12 ZINC000924590807 1120068471 /nfs/dbraw/zinc/06/84/71/1120068471.db2.gz CURBIQVXFYARQW-ZDUSSCGKSA-N 2 1 284.403 3.710 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1csc2ccccc12 ZINC000765834079 1120114644 /nfs/dbraw/zinc/11/46/44/1120114644.db2.gz PCSGZYQFBCJTLX-LBPRGKRZSA-N 2 1 274.433 3.646 20 0 CHADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000468555672 1120135980 /nfs/dbraw/zinc/13/59/80/1120135980.db2.gz SJBXFUQMHATHOP-WNHJNPCNSA-N 2 1 286.463 3.703 20 0 CHADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000468555672 1120135982 /nfs/dbraw/zinc/13/59/82/1120135982.db2.gz SJBXFUQMHATHOP-WNHJNPCNSA-N 2 1 286.463 3.703 20 0 CHADMP CCCC[C@@H](C)[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000468556484 1120137174 /nfs/dbraw/zinc/13/71/74/1120137174.db2.gz TVHGCSQLPRVOMS-MRXNPFEDSA-N 2 1 296.499 3.578 20 0 CHADMP C[C@H](C[NH+](C)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000472666159 1120137912 /nfs/dbraw/zinc/13/79/12/1120137912.db2.gz LAEHAJZGBHVBBQ-SJLPKXTDSA-N 2 1 274.452 3.596 20 0 CHADMP C[C@H](C[NH+](C)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000472666159 1120137914 /nfs/dbraw/zinc/13/79/14/1120137914.db2.gz LAEHAJZGBHVBBQ-SJLPKXTDSA-N 2 1 274.452 3.596 20 0 CHADMP C[C@H](c1cccc(F)c1)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000472774023 1120171353 /nfs/dbraw/zinc/17/13/53/1120171353.db2.gz RKJABCCTQNBIJL-RHSMWYFYSA-N 2 1 278.415 3.693 20 0 CHADMP C[C@H](c1cccc(F)c1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000472774023 1120171355 /nfs/dbraw/zinc/17/13/55/1120171355.db2.gz RKJABCCTQNBIJL-RHSMWYFYSA-N 2 1 278.415 3.693 20 0 CHADMP C[C@H](c1cccc(F)c1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000472774023 1120171360 /nfs/dbraw/zinc/17/13/60/1120171360.db2.gz RKJABCCTQNBIJL-RHSMWYFYSA-N 2 1 278.415 3.693 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000020088953 1120195048 /nfs/dbraw/zinc/19/50/48/1120195048.db2.gz RZKPHBYIQLMNOD-HOTGVXAUSA-N 2 1 274.452 3.675 20 0 CHADMP CCc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000314408764 1120196687 /nfs/dbraw/zinc/19/66/87/1120196687.db2.gz UQPMSJLDARUEIT-ZIAGYGMSSA-N 2 1 288.435 3.844 20 0 CHADMP CC[N@H+](C)C[C@@H]1CCN(c2cc(C)c3ccc(C)cc3[nH+]2)C1 ZINC000460966764 1120204014 /nfs/dbraw/zinc/20/40/14/1120204014.db2.gz YBJSBSAXAIKVEL-INIZCTEOSA-N 2 1 297.446 3.630 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CCN(c2cc(C)c3ccc(C)cc3[nH+]2)C1 ZINC000460966764 1120204017 /nfs/dbraw/zinc/20/40/17/1120204017.db2.gz YBJSBSAXAIKVEL-INIZCTEOSA-N 2 1 297.446 3.630 20 0 CHADMP CC[C@H]1CCCC[N@H+]1CCNc1ccnc2ccsc21 ZINC000462836082 1120211585 /nfs/dbraw/zinc/21/15/85/1120211585.db2.gz NWATUJKFYHXOMK-ZDUSSCGKSA-N 2 1 289.448 3.973 20 0 CHADMP CC(C)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000086943285 1120223169 /nfs/dbraw/zinc/22/31/69/1120223169.db2.gz CAOQWYQGABJRFO-JKSUJKDBSA-N 2 1 278.484 3.808 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CC4CCC3CC4)CC2)cc1 ZINC000382027040 1120311464 /nfs/dbraw/zinc/31/14/64/1120311464.db2.gz BMBBPGGWIBAOCG-NLPFYKDJSA-N 2 1 298.474 3.819 20 0 CHADMP C[C@@H]1C[C@H]([N@@H+](C)CC2CC=CC2)CCN1Cc1ccccc1 ZINC000659993697 1120330092 /nfs/dbraw/zinc/33/00/92/1120330092.db2.gz QWSOHXRTHKHTRT-YLJYHZDGSA-N 2 1 298.474 3.938 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)CC2CC=CC2)CC[N@@H+]1Cc1ccccc1 ZINC000659993697 1120330096 /nfs/dbraw/zinc/33/00/96/1120330096.db2.gz QWSOHXRTHKHTRT-YLJYHZDGSA-N 2 1 298.474 3.938 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)CC2CC=CC2)CC[N@H+]1Cc1ccccc1 ZINC000659993697 1120330101 /nfs/dbraw/zinc/33/01/01/1120330101.db2.gz QWSOHXRTHKHTRT-YLJYHZDGSA-N 2 1 298.474 3.938 20 0 CHADMP C[C@@H]1C[C@H]([N@H+](C)CC2CC=CC2)CC[NH+]1Cc1ccccc1 ZINC000659993697 1120330105 /nfs/dbraw/zinc/33/01/05/1120330105.db2.gz QWSOHXRTHKHTRT-YLJYHZDGSA-N 2 1 298.474 3.938 20 0 CHADMP C[C@@H]1C[C@H]([N@@H+](C)CC2CC=CC2)CC[NH+]1Cc1ccccc1 ZINC000659993697 1120330110 /nfs/dbraw/zinc/33/01/10/1120330110.db2.gz QWSOHXRTHKHTRT-YLJYHZDGSA-N 2 1 298.474 3.938 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2CC=CC2)CCN1Cc1ccccc1 ZINC000659993695 1120330169 /nfs/dbraw/zinc/33/01/69/1120330169.db2.gz QWSOHXRTHKHTRT-XLIONFOSSA-N 2 1 298.474 3.938 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)CC2CC=CC2)CC[N@@H+]1Cc1ccccc1 ZINC000659993695 1120330172 /nfs/dbraw/zinc/33/01/72/1120330172.db2.gz QWSOHXRTHKHTRT-XLIONFOSSA-N 2 1 298.474 3.938 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)CC2CC=CC2)CC[N@H+]1Cc1ccccc1 ZINC000659993695 1120330175 /nfs/dbraw/zinc/33/01/75/1120330175.db2.gz QWSOHXRTHKHTRT-XLIONFOSSA-N 2 1 298.474 3.938 20 0 CHADMP C[C@@H]1C[C@@H]([N@H+](C)CC2CC=CC2)CC[NH+]1Cc1ccccc1 ZINC000659993695 1120330176 /nfs/dbraw/zinc/33/01/76/1120330176.db2.gz QWSOHXRTHKHTRT-XLIONFOSSA-N 2 1 298.474 3.938 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2CC=CC2)CC[NH+]1Cc1ccccc1 ZINC000659993695 1120330181 /nfs/dbraw/zinc/33/01/81/1120330181.db2.gz QWSOHXRTHKHTRT-XLIONFOSSA-N 2 1 298.474 3.938 20 0 CHADMP Cc1sccc1C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000339184607 1120351090 /nfs/dbraw/zinc/35/10/90/1120351090.db2.gz RDAPWSPBRXDLCW-OKILXGFUSA-N 2 1 280.481 3.514 20 0 CHADMP Cc1sccc1C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000339184607 1120351096 /nfs/dbraw/zinc/35/10/96/1120351096.db2.gz RDAPWSPBRXDLCW-OKILXGFUSA-N 2 1 280.481 3.514 20 0 CHADMP Cc1sccc1C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000339184678 1120352146 /nfs/dbraw/zinc/35/21/46/1120352146.db2.gz SLOUSBQHLUAUKZ-CQSZACIVSA-N 2 1 280.481 3.658 20 0 CHADMP Cc1nc(C(C)C)ccc1C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000629536289 1128913617 /nfs/dbraw/zinc/91/36/17/1128913617.db2.gz ISVUZUWXGIIFQL-GOSISDBHSA-N 2 1 289.467 3.511 20 0 CHADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000682376610 1120414181 /nfs/dbraw/zinc/41/41/81/1120414181.db2.gz LXLNUSWAXWSECQ-HMDCTGQHSA-N 2 1 266.473 3.520 20 0 CHADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000682376610 1120414185 /nfs/dbraw/zinc/41/41/85/1120414185.db2.gz LXLNUSWAXWSECQ-HMDCTGQHSA-N 2 1 266.473 3.520 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417360216 1120436723 /nfs/dbraw/zinc/43/67/23/1120436723.db2.gz JQRUTOQIURNWBS-VNQPRFMTSA-N 2 1 292.492 3.704 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]C1CCC(C2CCC2)CC1 ZINC000657374835 1120442391 /nfs/dbraw/zinc/44/23/91/1120442391.db2.gz RPMAAAYTYFXYEM-UHFFFAOYSA-N 2 1 289.467 3.920 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc2ccccc21 ZINC000584772817 1120442995 /nfs/dbraw/zinc/44/29/95/1120442995.db2.gz IXFJJEVPKMKZRK-DNVCBOLYSA-N 2 1 282.431 3.612 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc2ccccc21 ZINC000584772817 1120442997 /nfs/dbraw/zinc/44/29/97/1120442997.db2.gz IXFJJEVPKMKZRK-DNVCBOLYSA-N 2 1 282.431 3.612 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc2ccccc21 ZINC000584772817 1120442999 /nfs/dbraw/zinc/44/29/99/1120442999.db2.gz IXFJJEVPKMKZRK-DNVCBOLYSA-N 2 1 282.431 3.612 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc2ccccc21 ZINC000584772817 1120443002 /nfs/dbraw/zinc/44/30/02/1120443002.db2.gz IXFJJEVPKMKZRK-DNVCBOLYSA-N 2 1 282.431 3.612 20 0 CHADMP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@@H](C)C1)[NH+](C)C ZINC000019979477 1120502541 /nfs/dbraw/zinc/50/25/41/1120502541.db2.gz SJFGSBQIICVXFM-BMFZPTHFSA-N 2 1 254.462 3.521 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000543398275 1120509064 /nfs/dbraw/zinc/50/90/64/1120509064.db2.gz RVNUBEJRHNSQNM-HOTGVXAUSA-N 2 1 266.473 3.619 20 0 CHADMP Cc1cc2cc[nH+]c(NCCC[N@H+]3CCCC[C@H]3C)c2[nH]1 ZINC001167751051 1120539223 /nfs/dbraw/zinc/53/92/23/1120539223.db2.gz GYLCKDOAEUZORG-CQSZACIVSA-N 2 1 286.423 3.548 20 0 CHADMP Cc1cc2cc[nH+]c(NCCC[N@@H+]3CCCC[C@H]3C)c2[nH]1 ZINC001167751051 1120539231 /nfs/dbraw/zinc/53/92/31/1120539231.db2.gz GYLCKDOAEUZORG-CQSZACIVSA-N 2 1 286.423 3.548 20 0 CHADMP CC(C)[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H](C)c1ccccc1 ZINC000428875515 1120548473 /nfs/dbraw/zinc/54/84/73/1120548473.db2.gz UYWKTMGXIFFCBJ-SJLPKXTDSA-N 2 1 274.452 3.942 20 0 CHADMP CC(C)[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H](C)c1ccccc1 ZINC000428875515 1120548476 /nfs/dbraw/zinc/54/84/76/1120548476.db2.gz UYWKTMGXIFFCBJ-SJLPKXTDSA-N 2 1 274.452 3.942 20 0 CHADMP CC(C)[NH+](CC[C@H]1CCC[N@H+]1C)[C@H](C)c1ccccc1 ZINC000428875515 1120548477 /nfs/dbraw/zinc/54/84/77/1120548477.db2.gz UYWKTMGXIFFCBJ-SJLPKXTDSA-N 2 1 274.452 3.942 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000019913022 1120549391 /nfs/dbraw/zinc/54/93/91/1120549391.db2.gz JHXWZMUYSKAAJG-IRXDYDNUSA-N 2 1 274.452 3.910 20 0 CHADMP CC(C)C[C@H]1CCC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)C1 ZINC000226334899 1120609778 /nfs/dbraw/zinc/60/97/78/1120609778.db2.gz PBGOESCDZTYCDD-SJORKVTESA-N 2 1 268.489 3.911 20 0 CHADMP C1CCC2(C1)CCC([NH2+][C@@H]1CC[N@@H+]3CCCC[C@H]13)CC2 ZINC000253365773 1128928761 /nfs/dbraw/zinc/92/87/61/1128928761.db2.gz PNKAAPCYPRWYPK-IAGOWNOFSA-N 2 1 276.468 3.706 20 0 CHADMP C1CCC2(C1)CCC([NH2+][C@@H]1CC[N@H+]3CCCC[C@H]13)CC2 ZINC000253365773 1128928765 /nfs/dbraw/zinc/92/87/65/1128928765.db2.gz PNKAAPCYPRWYPK-IAGOWNOFSA-N 2 1 276.468 3.706 20 0 CHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC[C@@H]1CCc3ccccc31)C2 ZINC000660660263 1120674745 /nfs/dbraw/zinc/67/47/45/1120674745.db2.gz FLWNSAPRNDBHSI-AZUAARDMSA-N 2 1 298.474 3.524 20 0 CHADMP C[C@H]([NH3+])[C@H]([NH2+]CC(C)(C)CC(F)(F)F)c1ccccc1 ZINC000925715791 1120676114 /nfs/dbraw/zinc/67/61/14/1120676114.db2.gz HUYPKLBMSPQJHG-AAEUAGOBSA-N 2 1 288.357 3.643 20 0 CHADMP FC(F)c1cccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1 ZINC000228078580 1120689423 /nfs/dbraw/zinc/68/94/23/1120689423.db2.gz GKNGXUICDQMBAA-KRWDZBQOSA-N 2 1 294.389 3.590 20 0 CHADMP FC(F)c1cccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1 ZINC000228078580 1120689424 /nfs/dbraw/zinc/68/94/24/1120689424.db2.gz GKNGXUICDQMBAA-KRWDZBQOSA-N 2 1 294.389 3.590 20 0 CHADMP CC[N@H+](CCc1ccc(C(C)C)cc1)CCn1ccnc1 ZINC001207522236 1120704449 /nfs/dbraw/zinc/70/44/49/1120704449.db2.gz BYOAPRBKMGGFDV-UHFFFAOYSA-N 2 1 285.435 3.571 20 0 CHADMP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000651705937 1120716813 /nfs/dbraw/zinc/71/68/13/1120716813.db2.gz NGARFHVRZSPZMU-YESZJQIVSA-N 2 1 266.473 3.665 20 0 CHADMP CC[C@@]1(C)CCC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000651725172 1120727814 /nfs/dbraw/zinc/72/78/14/1120727814.db2.gz VIVJGJRHKABUHI-QHEDDYRISA-N 2 1 264.457 3.560 20 0 CHADMP CC[C@@]1(C)CCC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000651725172 1120727819 /nfs/dbraw/zinc/72/78/19/1120727819.db2.gz VIVJGJRHKABUHI-QHEDDYRISA-N 2 1 264.457 3.560 20 0 CHADMP C[C@H]1CCCCC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000651725097 1120727886 /nfs/dbraw/zinc/72/78/86/1120727886.db2.gz SJMKXKNEMIOVOH-MKXAEBJUSA-N 2 1 264.457 3.560 20 0 CHADMP C[C@H]1CCCCC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000651725097 1120727889 /nfs/dbraw/zinc/72/78/89/1120727889.db2.gz SJMKXKNEMIOVOH-MKXAEBJUSA-N 2 1 264.457 3.560 20 0 CHADMP c1sc2ccccc2c1CN[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000054463322 1120751352 /nfs/dbraw/zinc/75/13/52/1120751352.db2.gz QHVFAQADMGWOID-HZPDHXFCSA-N 2 1 286.444 3.618 20 0 CHADMP c1sc2ccccc2c1C[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000054463322 1120751355 /nfs/dbraw/zinc/75/13/55/1120751355.db2.gz QHVFAQADMGWOID-HZPDHXFCSA-N 2 1 286.444 3.618 20 0 CHADMP c1sc2ccccc2c1C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000054463322 1120751356 /nfs/dbraw/zinc/75/13/56/1120751356.db2.gz QHVFAQADMGWOID-HZPDHXFCSA-N 2 1 286.444 3.618 20 0 CHADMP c1sc2ccccc2c1C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000054463322 1120751359 /nfs/dbraw/zinc/75/13/59/1120751359.db2.gz QHVFAQADMGWOID-HZPDHXFCSA-N 2 1 286.444 3.618 20 0 CHADMP c1cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)ccc1C[NH+]1CCCCC1 ZINC000661965962 1120848751 /nfs/dbraw/zinc/84/87/51/1120848751.db2.gz COGGAXRYSJEEML-RTBURBONSA-N 2 1 284.447 3.514 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000164673182 1120848935 /nfs/dbraw/zinc/84/89/35/1120848935.db2.gz LKRZYOXCUKWCNB-GOSISDBHSA-N 2 1 283.419 3.557 20 0 CHADMP CC(C)C1CCC([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000054556274 1120868406 /nfs/dbraw/zinc/86/84/06/1120868406.db2.gz MAPIALJFMLIOIN-KLAILNCOSA-N 2 1 266.473 3.521 20 0 CHADMP CC1CC([NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000467731292 1120895573 /nfs/dbraw/zinc/89/55/73/1120895573.db2.gz AZOXYUBSIBWDNQ-TXLGJMDYSA-N 2 1 286.463 3.675 20 0 CHADMP CCC1([NH+](C)C)CC[NH+](Cc2csc(C)c2C)CC1 ZINC000630073264 1128948434 /nfs/dbraw/zinc/94/84/34/1128948434.db2.gz SDAWOCHTLBEBTA-UHFFFAOYSA-N 2 1 280.481 3.671 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000221818878 1120907981 /nfs/dbraw/zinc/90/79/81/1120907981.db2.gz HMAVMKMHARSIKG-QMTMVMCOSA-N 2 1 286.463 3.699 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000221818878 1120907985 /nfs/dbraw/zinc/90/79/85/1120907985.db2.gz HMAVMKMHARSIKG-QMTMVMCOSA-N 2 1 286.463 3.699 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cccc(C(C)C)c1 ZINC000663316362 1120924565 /nfs/dbraw/zinc/92/45/65/1120924565.db2.gz AFFIQRXOJWGNOD-UHFFFAOYSA-N 2 1 285.435 3.885 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCSc2ccccc2)[C@@H]1CCC[NH3+] ZINC000662315183 1120926535 /nfs/dbraw/zinc/92/65/35/1120926535.db2.gz RTJYJENWCIHRBP-NVXWUHKLSA-N 2 1 292.492 3.618 20 0 CHADMP Clc1ccccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346609 1120942124 /nfs/dbraw/zinc/94/21/24/1120942124.db2.gz ATTARNOWCQJFDS-OAHLLOKOSA-N 2 1 292.854 3.552 20 0 CHADMP Clc1ccccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346609 1120942128 /nfs/dbraw/zinc/94/21/28/1120942128.db2.gz ATTARNOWCQJFDS-OAHLLOKOSA-N 2 1 292.854 3.552 20 0 CHADMP CCC[C@H](C)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390780250 1120979234 /nfs/dbraw/zinc/97/92/34/1120979234.db2.gz RMPQYDSGBVXGIW-SCTDSRPQSA-N 2 1 288.479 3.923 20 0 CHADMP C([NH2+]C(C1CCC1)C1CCC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466236 1120981031 /nfs/dbraw/zinc/98/10/31/1120981031.db2.gz PVPLIUZADSFQNB-INIZCTEOSA-N 2 1 290.495 3.667 20 0 CHADMP CCCC[C@@H](CC)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467501 1120981782 /nfs/dbraw/zinc/98/17/82/1120981782.db2.gz GJJUJNFHQLQIPO-DLBZAZTESA-N 2 1 266.473 3.667 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CCCC1 ZINC000663466625 1120982923 /nfs/dbraw/zinc/98/29/23/1120982923.db2.gz WCTQJMLGVSYBPD-FUHWJXTLSA-N 2 1 278.484 3.667 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663468591 1120983560 /nfs/dbraw/zinc/98/35/60/1120983560.db2.gz MJTMUTNCVKQYOE-FUHWJXTLSA-N 2 1 286.463 3.768 20 0 CHADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469563 1120984639 /nfs/dbraw/zinc/98/46/39/1120984639.db2.gz QLVIRIFOSWXJBQ-AEFFLSMTSA-N 2 1 286.463 3.768 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000663470181 1120985182 /nfs/dbraw/zinc/98/51/82/1120985182.db2.gz SSKHBUYHOKMJMM-MJGOQNOKSA-N 2 1 286.463 3.849 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(C)o1 ZINC000663471750 1120985353 /nfs/dbraw/zinc/98/53/53/1120985353.db2.gz XSZQPXMZKLPVSZ-RHSMWYFYSA-N 2 1 290.451 3.669 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(C)o1 ZINC000663471750 1120985356 /nfs/dbraw/zinc/98/53/56/1120985356.db2.gz XSZQPXMZKLPVSZ-RHSMWYFYSA-N 2 1 290.451 3.669 20 0 CHADMP CCCC(CCC)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663472180 1120985542 /nfs/dbraw/zinc/98/55/42/1120985542.db2.gz ZHFGIUDMGUJKOX-MRXNPFEDSA-N 2 1 266.473 3.667 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1ccc(C)cc1 ZINC001167826616 1121002056 /nfs/dbraw/zinc/00/20/56/1121002056.db2.gz PBAWBWLTCKFHJC-QGZVFWFLSA-N 2 1 276.468 3.937 20 0 CHADMP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1csc2ccccc12 ZINC000925815294 1121093010 /nfs/dbraw/zinc/09/30/10/1121093010.db2.gz VVIAQBQEWCTNGO-STQMWFEESA-N 2 1 297.427 3.763 20 0 CHADMP C[C@H]1C[C@H]1C[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001279268282 1121131837 /nfs/dbraw/zinc/13/18/37/1121131837.db2.gz ABKOZCGRYCHVMY-IRXDYDNUSA-N 2 1 290.495 3.763 20 0 CHADMP CC[C@@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(OC)c1 ZINC000658090077 1121155996 /nfs/dbraw/zinc/15/59/96/1121155996.db2.gz DGZUGNPNEAGNSR-DOTOQJQBSA-N 2 1 290.451 3.609 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C(C)(C)C)s2)CC[N@@H+]1C ZINC000093644574 1128967560 /nfs/dbraw/zinc/96/75/60/1128967560.db2.gz OHVYMXMMGIIOHI-KBPBESRZSA-N 2 1 294.508 3.960 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C(C)(C)C)s2)CC[N@H+]1C ZINC000093644574 1128967563 /nfs/dbraw/zinc/96/75/63/1128967563.db2.gz OHVYMXMMGIIOHI-KBPBESRZSA-N 2 1 294.508 3.960 20 0 CHADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C(C)(C)C)s2)CC[NH+]1C ZINC000093644574 1128967564 /nfs/dbraw/zinc/96/75/64/1128967564.db2.gz OHVYMXMMGIIOHI-KBPBESRZSA-N 2 1 294.508 3.960 20 0 CHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C(C)(C)C)s2)CC[NH+]1C ZINC000093644574 1128967566 /nfs/dbraw/zinc/96/75/66/1128967566.db2.gz OHVYMXMMGIIOHI-KBPBESRZSA-N 2 1 294.508 3.960 20 0 CHADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000436228217 1121216341 /nfs/dbraw/zinc/21/63/41/1121216341.db2.gz ATSDFOLZKUACEY-SZMVWBNQSA-N 2 1 274.452 3.643 20 0 CHADMP CC[C@H](C[NH+]1CCCC1)Nc1cc[nH+]c2cc(F)ccc12 ZINC000675151139 1121222433 /nfs/dbraw/zinc/22/24/33/1121222433.db2.gz HRIZDIZEQHXICG-CQSZACIVSA-N 2 1 287.382 3.660 20 0 CHADMP CC[C@@H](C)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512244244 1121222580 /nfs/dbraw/zinc/22/25/80/1121222580.db2.gz NEKOYJBOMGTRQJ-MJGOQNOKSA-N 2 1 286.463 3.631 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCC(C(C)C)CC1 ZINC000174350674 1121281740 /nfs/dbraw/zinc/28/17/40/1121281740.db2.gz ANTMJQCMQWSJAH-OOHWJJMZSA-N 2 1 277.456 3.632 20 0 CHADMP Fc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccc12 ZINC000631039853 1128980089 /nfs/dbraw/zinc/98/00/89/1128980089.db2.gz NBHAUDNOQAZTIK-CQSZACIVSA-N 2 1 298.405 3.553 20 0 CHADMP CC(C)CC[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001175350066 1121291514 /nfs/dbraw/zinc/29/15/14/1121291514.db2.gz HUWUDPNBFRTYGM-KRWDZBQOSA-N 2 1 266.473 3.619 20 0 CHADMP C[N@@H+]1CCC[C@@H](C[NH2+]CC2(C)CC2)[C@H]1c1cccs1 ZINC000562328518 1121318763 /nfs/dbraw/zinc/31/87/63/1121318763.db2.gz YIZKSFCHBMCWFP-ZFWWWQNUSA-N 2 1 278.465 3.521 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH2+]CC2(C)CC2)[C@H]1c1cccs1 ZINC000562328518 1121318771 /nfs/dbraw/zinc/31/87/71/1121318771.db2.gz YIZKSFCHBMCWFP-ZFWWWQNUSA-N 2 1 278.465 3.521 20 0 CHADMP Cc1ccc2ccccc2c1C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001175445161 1121328251 /nfs/dbraw/zinc/32/82/51/1121328251.db2.gz WOJBPJUTLNELIW-PXNSSMCTSA-N 2 1 294.442 3.674 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC001175445161 1121328260 /nfs/dbraw/zinc/32/82/60/1121328260.db2.gz WOJBPJUTLNELIW-PXNSSMCTSA-N 2 1 294.442 3.674 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC001175445161 1121328269 /nfs/dbraw/zinc/32/82/69/1121328269.db2.gz WOJBPJUTLNELIW-PXNSSMCTSA-N 2 1 294.442 3.674 20 0 CHADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125319253 1121349480 /nfs/dbraw/zinc/34/94/80/1121349480.db2.gz VOVIANUQEVYEBY-HBCZOZSTSA-N 2 1 296.817 3.599 20 0 CHADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(C(F)F)cc1)C2 ZINC000660662381 1121368431 /nfs/dbraw/zinc/36/84/31/1121368431.db2.gz JKEQXEHIZKGZHF-QGZVFWFLSA-N 2 1 294.389 3.542 20 0 CHADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(C(F)F)cc1)C2 ZINC000660662381 1121368459 /nfs/dbraw/zinc/36/84/59/1121368459.db2.gz JKEQXEHIZKGZHF-QGZVFWFLSA-N 2 1 294.389 3.542 20 0 CHADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(C(F)F)cc1)C2 ZINC000660662381 1121368468 /nfs/dbraw/zinc/36/84/68/1121368468.db2.gz JKEQXEHIZKGZHF-QGZVFWFLSA-N 2 1 294.389 3.542 20 0 CHADMP c1ccc([C@H]2C[C@H]([NH2+]CC3CCC=CCC3)CC[NH2+]2)cc1 ZINC000925881806 1121370236 /nfs/dbraw/zinc/37/02/36/1121370236.db2.gz UZTIEAQPRZKXNA-RTBURBONSA-N 2 1 284.447 3.816 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000676207458 1121412983 /nfs/dbraw/zinc/41/29/83/1121412983.db2.gz IYXDLBSCZAYHJU-KBPBESRZSA-N 2 1 290.442 3.910 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000676207458 1121412988 /nfs/dbraw/zinc/41/29/88/1121412988.db2.gz IYXDLBSCZAYHJU-KBPBESRZSA-N 2 1 290.442 3.910 20 0 CHADMP FC(F)c1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000131976778 1121434682 /nfs/dbraw/zinc/43/46/82/1121434682.db2.gz WEXHTMTUIAQPSN-CVEARBPZSA-N 2 1 294.389 3.588 20 0 CHADMP FC(F)c1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000131976778 1121434687 /nfs/dbraw/zinc/43/46/87/1121434687.db2.gz WEXHTMTUIAQPSN-CVEARBPZSA-N 2 1 294.389 3.588 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@H]2C[C@H]4C[C@H]4C2)C3)cc1 ZINC001167908512 1121437508 /nfs/dbraw/zinc/43/75/08/1121437508.db2.gz GFWTVRXXJKAKSZ-XAWFRAJHSA-N 2 1 296.458 3.570 20 0 CHADMP CC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000512632103 1121500758 /nfs/dbraw/zinc/50/07/58/1121500758.db2.gz WZFPPCMYKDZNHK-IPMKNSEASA-N 2 1 298.474 3.677 20 0 CHADMP c1cc([C@@H]2CCC[N@@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC000923304694 1121557058 /nfs/dbraw/zinc/55/70/58/1121557058.db2.gz RNIAIXXGNMQQND-YQAQFAQXSA-N 2 1 290.476 3.806 20 0 CHADMP C[C@@H](F)CC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000509370839 1121557592 /nfs/dbraw/zinc/55/75/92/1121557592.db2.gz IAPTXJJDVVOKIX-HZPDHXFCSA-N 2 1 284.463 3.711 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCCCF)CC1 ZINC000509375225 1121557647 /nfs/dbraw/zinc/55/76/47/1121557647.db2.gz XYFSSZGDAJCGBH-INIZCTEOSA-N 2 1 284.463 3.713 20 0 CHADMP C[C@H](F)CC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000509370841 1121557879 /nfs/dbraw/zinc/55/78/79/1121557879.db2.gz IAPTXJJDVVOKIX-JKSUJKDBSA-N 2 1 284.463 3.711 20 0 CHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167917105 1121561878 /nfs/dbraw/zinc/56/18/78/1121561878.db2.gz KIXOTSIURFJTHS-FCGDIQPGSA-N 2 1 298.474 3.675 20 0 CHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167917105 1121561886 /nfs/dbraw/zinc/56/18/86/1121561886.db2.gz KIXOTSIURFJTHS-FCGDIQPGSA-N 2 1 298.474 3.675 20 0 CHADMP CCc1ccc(C)[nH+]c1Nc1ccc(OCC[NH+](C)C)cc1 ZINC001176222565 1121579411 /nfs/dbraw/zinc/57/94/11/1121579411.db2.gz GUIZYLXXQWLBOT-UHFFFAOYSA-N 2 1 299.418 3.636 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433302087 1121640585 /nfs/dbraw/zinc/64/05/85/1121640585.db2.gz XAFSQGKNGZHSNA-DOTOQJQBSA-N 2 1 292.854 3.614 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433302087 1121640588 /nfs/dbraw/zinc/64/05/88/1121640588.db2.gz XAFSQGKNGZHSNA-DOTOQJQBSA-N 2 1 292.854 3.614 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433302087 1121640591 /nfs/dbraw/zinc/64/05/91/1121640591.db2.gz XAFSQGKNGZHSNA-DOTOQJQBSA-N 2 1 292.854 3.614 20 0 CHADMP CC1(C)C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000161635465 1121645903 /nfs/dbraw/zinc/64/59/03/1121645903.db2.gz GYNMHCHYGOIAFZ-DAYGRLMNSA-N 2 1 284.447 3.625 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@@H+](CCCCCc2ccccc2)CC1 ZINC001206297286 1121719086 /nfs/dbraw/zinc/71/90/86/1121719086.db2.gz XHRMSBASLSLILQ-IBGZPJMESA-N 2 1 288.479 3.850 20 0 CHADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC001177611731 1121742510 /nfs/dbraw/zinc/74/25/10/1121742510.db2.gz HENFSJXWQSOEHN-HUUCEWRRSA-N 2 1 254.462 3.523 20 0 CHADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC001177611731 1121742514 /nfs/dbraw/zinc/74/25/14/1121742514.db2.gz HENFSJXWQSOEHN-HUUCEWRRSA-N 2 1 254.462 3.523 20 0 CHADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1CC=CCC1 ZINC001177741695 1121747986 /nfs/dbraw/zinc/74/79/86/1121747986.db2.gz BVMWIHIHRAWOHY-IAGOWNOFSA-N 2 1 264.457 3.587 20 0 CHADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1CC=CCC1 ZINC001177741695 1121747992 /nfs/dbraw/zinc/74/79/92/1121747992.db2.gz BVMWIHIHRAWOHY-IAGOWNOFSA-N 2 1 264.457 3.587 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(Cl)c1 ZINC001206312065 1121764307 /nfs/dbraw/zinc/76/43/07/1121764307.db2.gz YTZXTGGQYJVGJU-MRXNPFEDSA-N 2 1 280.843 3.599 20 0 CHADMP Cc1c(F)ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1Cl ZINC001206325751 1121779543 /nfs/dbraw/zinc/77/95/43/1121779543.db2.gz IUFOBTPGALDWDF-MRXNPFEDSA-N 2 1 298.833 3.738 20 0 CHADMP Cc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001178458306 1121789125 /nfs/dbraw/zinc/78/91/25/1121789125.db2.gz ZNBSAQWJUWWGIH-FUHWJXTLSA-N 2 1 286.463 3.738 20 0 CHADMP c1cc2nccc(NC[C@H]3CCCC[N@H+]3C3CC3)c2s1 ZINC000433806978 1121810832 /nfs/dbraw/zinc/81/08/32/1121810832.db2.gz AUWLQDMXSXWIMX-CYBMUJFWSA-N 2 1 287.432 3.725 20 0 CHADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CC(C)(C)CC(C)(C)C2)C1 ZINC001178916572 1121829570 /nfs/dbraw/zinc/82/95/70/1121829570.db2.gz IEVBXLHSMOHZKT-HNNXBMFYSA-N 2 1 280.500 3.913 20 0 CHADMP CC(C)C[N@@H+](C)CCC[NH2+]C1CCC2(CCC2)CC1 ZINC001179082138 1121847034 /nfs/dbraw/zinc/84/70/34/1121847034.db2.gz UATNIEIWIOFKAB-UHFFFAOYSA-N 2 1 266.473 3.667 20 0 CHADMP CC1(C)CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC001179259527 1121866610 /nfs/dbraw/zinc/86/66/10/1121866610.db2.gz UTKWSZGSUMOJAZ-IAGOWNOFSA-N 2 1 278.484 3.667 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(C)(C)F)cc1 ZINC000631657657 1129018727 /nfs/dbraw/zinc/01/87/27/1129018727.db2.gz GANCFJOHHJYHDB-GFCCVEGCSA-N 2 1 275.371 3.579 20 0 CHADMP CC[NH+]1CCC(C[N@H+]2Cc3ccccc3C(C)(C)C2)CC1 ZINC001179956566 1121934655 /nfs/dbraw/zinc/93/46/55/1121934655.db2.gz FZXPCFQXSDLAQS-UHFFFAOYSA-N 2 1 286.463 3.512 20 0 CHADMP C[C@@H]([NH3+])C[N@H+]([C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000420322913 1121995951 /nfs/dbraw/zinc/99/59/51/1121995951.db2.gz SSPKKZMHEXPACE-KGLIPLIRSA-N 2 1 268.404 3.712 20 0 CHADMP C[C@@H]([NH3+])C[N@@H+]([C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000420322913 1121995955 /nfs/dbraw/zinc/99/59/55/1121995955.db2.gz SSPKKZMHEXPACE-KGLIPLIRSA-N 2 1 268.404 3.712 20 0 CHADMP CC[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CC[C@H]1c1ccccc1 ZINC000420300761 1121997563 /nfs/dbraw/zinc/99/75/63/1121997563.db2.gz KLSHAPCAYVGNCK-ZHALLVOQSA-N 2 1 286.463 3.502 20 0 CHADMP c1ccc2c(c1)cccc2[C@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420328531 1122001902 /nfs/dbraw/zinc/00/19/02/1122001902.db2.gz ZUQLAAMJRWQTAC-OXJNMPFZSA-N 2 1 294.442 3.976 20 0 CHADMP C[C@@H]([NH3+])C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000420422391 1122005842 /nfs/dbraw/zinc/00/58/42/1122005842.db2.gz ZJOPTAUDZOSPKK-ZWNOBZJWSA-N 2 1 288.357 3.729 20 0 CHADMP C[C@H]([NH3+])C[NH2+][C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000420376753 1122006031 /nfs/dbraw/zinc/00/60/31/1122006031.db2.gz RDDGBYXIMHJTQA-SUMWQHHRSA-N 2 1 288.822 3.561 20 0 CHADMP C[C@@H](c1nccc2ccccc21)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC001180872859 1122021502 /nfs/dbraw/zinc/02/15/02/1122021502.db2.gz HLOITTMJKSGSFE-DOTOQJQBSA-N 2 1 297.446 3.712 20 0 CHADMP C[C@@H](C[N@@H+](C)CCC[NH+]1CCCC1)c1cccc(Cl)c1 ZINC001181234589 1122044054 /nfs/dbraw/zinc/04/40/54/1122044054.db2.gz MLPGBHYNZFNGOW-HNNXBMFYSA-N 2 1 294.870 3.861 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+]CCC1CCCCCC1 ZINC001181409380 1122055657 /nfs/dbraw/zinc/05/56/57/1122055657.db2.gz CDIPMTNTJUBSLC-OAHLLOKOSA-N 2 1 254.462 3.667 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](CC)C[C@@H]1CCCC[C@@H]1C ZINC001181506321 1122059816 /nfs/dbraw/zinc/05/98/16/1122059816.db2.gz PYRGYUURUDAMIP-IRXDYDNUSA-N 2 1 268.489 3.867 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC001181506603 1122060555 /nfs/dbraw/zinc/06/05/55/1122060555.db2.gz SKZCXJZWHWLCEN-MOPGFXCFSA-N 2 1 288.479 3.770 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](CC)C[C@H]1CCCC[C@@H]1C ZINC001181506319 1122060709 /nfs/dbraw/zinc/06/07/09/1122060709.db2.gz PYRGYUURUDAMIP-DLBZAZTESA-N 2 1 268.489 3.867 20 0 CHADMP C([NH2+][C@H]1CCC12CCC2)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000502387680 1122078349 /nfs/dbraw/zinc/07/83/49/1122078349.db2.gz BXXJUGDOMGJUGR-SJORKVTESA-N 2 1 276.468 3.706 20 0 CHADMP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC001182173287 1122113500 /nfs/dbraw/zinc/11/35/00/1122113500.db2.gz INUGESIOPYLKAT-FUHWJXTLSA-N 2 1 276.468 3.634 20 0 CHADMP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC001182173287 1122113502 /nfs/dbraw/zinc/11/35/02/1122113502.db2.gz INUGESIOPYLKAT-FUHWJXTLSA-N 2 1 276.468 3.634 20 0 CHADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000502693469 1122140826 /nfs/dbraw/zinc/14/08/26/1122140826.db2.gz UYKIFLZMCUGQET-IRXDYDNUSA-N 2 1 292.854 3.961 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000502693469 1122140829 /nfs/dbraw/zinc/14/08/29/1122140829.db2.gz UYKIFLZMCUGQET-IRXDYDNUSA-N 2 1 292.854 3.961 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000502693469 1122140833 /nfs/dbraw/zinc/14/08/33/1122140833.db2.gz UYKIFLZMCUGQET-IRXDYDNUSA-N 2 1 292.854 3.961 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000502693469 1122140836 /nfs/dbraw/zinc/14/08/36/1122140836.db2.gz UYKIFLZMCUGQET-IRXDYDNUSA-N 2 1 292.854 3.961 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+](CC1CC1)C1CCCCC1 ZINC000502721311 1122141815 /nfs/dbraw/zinc/14/18/15/1122141815.db2.gz IRFQFGRZXOCQKJ-INIZCTEOSA-N 2 1 264.457 3.515 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+](CC1CC1)C1CCCCC1 ZINC000502721311 1122141816 /nfs/dbraw/zinc/14/18/16/1122141816.db2.gz IRFQFGRZXOCQKJ-INIZCTEOSA-N 2 1 264.457 3.515 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+](CC1CC1)C1CCCCC1 ZINC000502721311 1122141819 /nfs/dbraw/zinc/14/18/19/1122141819.db2.gz IRFQFGRZXOCQKJ-INIZCTEOSA-N 2 1 264.457 3.515 20 0 CHADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCC[C@@H]2C(C)(C)C)s1 ZINC000414542634 1122147863 /nfs/dbraw/zinc/14/78/63/1122147863.db2.gz YHJHBCYMENAGSQ-UONOGXRCSA-N 2 1 295.496 3.509 20 0 CHADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000502924500 1122158193 /nfs/dbraw/zinc/15/81/93/1122158193.db2.gz DSNIMYPYHQKBMV-MSOLQXFVSA-N 2 1 290.426 3.837 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000502924500 1122158194 /nfs/dbraw/zinc/15/81/94/1122158194.db2.gz DSNIMYPYHQKBMV-MSOLQXFVSA-N 2 1 290.426 3.837 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000502924500 1122158197 /nfs/dbraw/zinc/15/81/97/1122158197.db2.gz DSNIMYPYHQKBMV-MSOLQXFVSA-N 2 1 290.426 3.837 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000502924500 1122158198 /nfs/dbraw/zinc/15/81/98/1122158198.db2.gz DSNIMYPYHQKBMV-MSOLQXFVSA-N 2 1 290.426 3.837 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000503065471 1122164711 /nfs/dbraw/zinc/16/47/11/1122164711.db2.gz VMTPLDRODHUXLA-KRWDZBQOSA-N 2 1 290.426 3.669 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000271744119 1122174198 /nfs/dbraw/zinc/17/41/98/1122174198.db2.gz DCGMXNCYQRLYCD-UHFFFAOYSA-N 2 1 289.810 3.514 20 0 CHADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001182959838 1122197082 /nfs/dbraw/zinc/19/70/82/1122197082.db2.gz MRUQRFXBEYJSKA-NJAFHUGGSA-N 2 1 278.484 3.808 20 0 CHADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001182959838 1122197085 /nfs/dbraw/zinc/19/70/85/1122197085.db2.gz MRUQRFXBEYJSKA-NJAFHUGGSA-N 2 1 278.484 3.808 20 0 CHADMP CC(C)(C)c1cccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206556435 1122204658 /nfs/dbraw/zinc/20/46/58/1122204658.db2.gz RRZKFGYWILHKMT-LJQANCHMSA-N 2 1 288.479 3.935 20 0 CHADMP C[C@@]1([NH3+])CCC[N@H+](Cc2cc3c(cccc3Cl)[nH]2)CC1 ZINC001205265329 1122218305 /nfs/dbraw/zinc/21/83/05/1122218305.db2.gz PXWKXQXAXDDIRT-MRXNPFEDSA-N 2 1 291.826 3.525 20 0 CHADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc3c(cccc3Cl)[nH]2)CC1 ZINC001205265329 1122218310 /nfs/dbraw/zinc/21/83/10/1122218310.db2.gz PXWKXQXAXDDIRT-MRXNPFEDSA-N 2 1 291.826 3.525 20 0 CHADMP Cc1ccc(C[NH2+]C2CC[NH+](CCC(C)C)CC2)cc1F ZINC001183957698 1122249394 /nfs/dbraw/zinc/24/93/94/1122249394.db2.gz CSXXOKNPUKHZAD-UHFFFAOYSA-N 2 1 292.442 3.734 20 0 CHADMP C[N@@H+]([C@@H]1CC[C@@](C)(c2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414655374 1122254404 /nfs/dbraw/zinc/25/44/04/1122254404.db2.gz KXBRKYSNIJHKLD-BCZSFJNMSA-N 2 1 298.474 3.712 20 0 CHADMP CCC(CC)[C@@H](C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)[NH+](C)C ZINC000711120549 1122258990 /nfs/dbraw/zinc/25/89/90/1122258990.db2.gz RIABMHDDFMZQMK-YQFWSFKMSA-N 2 1 266.473 3.521 20 0 CHADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(C(F)F)cc2)c2ccccc21 ZINC000423047932 1122274990 /nfs/dbraw/zinc/27/49/90/1122274990.db2.gz HTUZAOQNOZKZJS-CVEARBPZSA-N 2 1 288.341 3.859 20 0 CHADMP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000503941525 1122280439 /nfs/dbraw/zinc/28/04/39/1122280439.db2.gz JRLARJRAIJLKSR-PKOFMYQESA-N 2 1 298.474 3.960 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205305007 1122291292 /nfs/dbraw/zinc/29/12/92/1122291292.db2.gz QMGOSBITWQJQGG-OCCSQVGLSA-N 2 1 288.460 3.626 20 0 CHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CC4CC4)[C@@H]3C2)cc1 ZINC000514103653 1122375862 /nfs/dbraw/zinc/37/58/62/1122375862.db2.gz DFQCWVVPKSHUNJ-ZCNNSNEGSA-N 2 1 298.474 3.677 20 0 CHADMP CC1(C)CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000514799914 1122452778 /nfs/dbraw/zinc/45/27/78/1122452778.db2.gz XTHVTMBSNDJWAG-QGZVFWFLSA-N 2 1 298.474 3.962 20 0 CHADMP CC1(C)CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000514799914 1122452780 /nfs/dbraw/zinc/45/27/80/1122452780.db2.gz XTHVTMBSNDJWAG-QGZVFWFLSA-N 2 1 298.474 3.962 20 0 CHADMP C[N@H+](Cc1ccc(-c2ccccc2)o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435377872 1122461643 /nfs/dbraw/zinc/46/16/43/1122461643.db2.gz GDGBWLUKXLWQOI-SJPCQFCGSA-N 2 1 296.414 3.661 20 0 CHADMP C[N@@H+](Cc1ccc(-c2ccccc2)o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435377872 1122461647 /nfs/dbraw/zinc/46/16/47/1122461647.db2.gz GDGBWLUKXLWQOI-SJPCQFCGSA-N 2 1 296.414 3.661 20 0 CHADMP CC[N@@H+](Cc1cc(C)c2ncccc2c1)[C@H]1CCC[NH2+]CC1 ZINC000435390113 1122462500 /nfs/dbraw/zinc/46/25/00/1122462500.db2.gz ABTRDOLNQQZGQI-SFHVURJKSA-N 2 1 297.446 3.507 20 0 CHADMP C[N@@H+](Cc1ccc(-c2ccccc2)o1)[C@H]1CCC[NH2+]CC1 ZINC000435430866 1122465945 /nfs/dbraw/zinc/46/59/45/1122465945.db2.gz APQYVAIMTKRYPM-INIZCTEOSA-N 2 1 284.403 3.521 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000514991469 1122468312 /nfs/dbraw/zinc/46/83/12/1122468312.db2.gz VBSOTMNRXCSQIG-MSOLQXFVSA-N 2 1 288.479 3.748 20 0 CHADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000436255765 1122529121 /nfs/dbraw/zinc/52/91/21/1122529121.db2.gz YUNBFVTWBGRKNB-RYQLBKOJSA-N 2 1 274.452 3.643 20 0 CHADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000436255765 1122529126 /nfs/dbraw/zinc/52/91/26/1122529126.db2.gz YUNBFVTWBGRKNB-RYQLBKOJSA-N 2 1 274.452 3.643 20 0 CHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CC(C)(C)CCc2ccccc21 ZINC000436286002 1122531912 /nfs/dbraw/zinc/53/19/12/1122531912.db2.gz QDJDIGPWTILANQ-GOSISDBHSA-N 2 1 297.446 3.656 20 0 CHADMP CCC(CC)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436299059 1122535331 /nfs/dbraw/zinc/53/53/31/1122535331.db2.gz RDDSJGAEKQFMRG-MRXNPFEDSA-N 2 1 252.446 3.562 20 0 CHADMP C(C[N@@H+](CC1CCCCC1)C1CC1)C[NH+]1CCCCC1 ZINC001190426929 1122537154 /nfs/dbraw/zinc/53/71/54/1122537154.db2.gz LRSCFPLLYDGQCP-UHFFFAOYSA-N 2 1 278.484 3.907 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000516038656 1122563917 /nfs/dbraw/zinc/56/39/17/1122563917.db2.gz WVUHWDXTIGIHKM-HOTGVXAUSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@@H]1CCCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167961395 1122592527 /nfs/dbraw/zinc/59/25/27/1122592527.db2.gz JPVFGJXYPPFTEC-YARHPZGWSA-N 2 1 290.495 3.808 20 0 CHADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CCCCC2(C)C)CC1 ZINC001191408818 1122597872 /nfs/dbraw/zinc/59/78/72/1122597872.db2.gz QJAOCNFSFCTYSY-HNNXBMFYSA-N 2 1 266.473 3.619 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CCCCC2(C)C)CC1 ZINC001191408818 1122597875 /nfs/dbraw/zinc/59/78/75/1122597875.db2.gz QJAOCNFSFCTYSY-HNNXBMFYSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@H]1C[C@H](CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C[C@@H](C)C1 ZINC001191519670 1122602916 /nfs/dbraw/zinc/60/29/16/1122602916.db2.gz ASRURUBOCBAHGK-JKEDJMADSA-N 2 1 292.511 3.865 20 0 CHADMP C(=C/C1CC1)\C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716693197 1122636358 /nfs/dbraw/zinc/63/63/58/1122636358.db2.gz OPHFIYMBASPBLC-RLOFBJMHSA-N 2 1 296.458 3.595 20 0 CHADMP C[C@@H]1CC[N@@H+](CCCc2cccc(Cl)c2)CC[C@H]1C[NH3+] ZINC001205601050 1122646686 /nfs/dbraw/zinc/64/66/86/1122646686.db2.gz CWPLBECKBJTFNH-ZBFHGGJFSA-N 2 1 294.870 3.579 20 0 CHADMP C[C@H]1CC[N@@H+](CCCCCc2ccccc2)CC[C@H]1C[NH3+] ZINC001205603641 1122654162 /nfs/dbraw/zinc/65/41/62/1122654162.db2.gz ROYGPEVLMUIFRQ-HKUYNNGSSA-N 2 1 288.479 3.706 20 0 CHADMP Cc1ccc([C@H]([NH2+]C[C@H](C)C[NH+](C)C)C2CCCC2)o1 ZINC000425914627 1122659547 /nfs/dbraw/zinc/65/95/47/1122659547.db2.gz BYXLTMKDJAWZTJ-SUMWQHHRSA-N 2 1 278.440 3.607 20 0 CHADMP CC(C)CC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1ccoc1 ZINC000425917216 1122659923 /nfs/dbraw/zinc/65/99/23/1122659923.db2.gz GLLZDZMXVRZJIX-GDBMZVCRSA-N 2 1 266.429 3.544 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc2ccc(C)cc2o1 ZINC000425933870 1122663093 /nfs/dbraw/zinc/66/30/93/1122663093.db2.gz XLLMLSIKZDDHDM-CYBMUJFWSA-N 2 1 283.375 3.597 20 0 CHADMP CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1cc(Cl)ccc1OC ZINC000425935651 1122665834 /nfs/dbraw/zinc/66/58/34/1122665834.db2.gz DZOPLXFURSLLPX-DOMZBBRYSA-N 2 1 298.858 3.587 20 0 CHADMP c1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000438085296 1122676632 /nfs/dbraw/zinc/67/66/32/1122676632.db2.gz AZOMCWKIPSBHLS-FCGDIQPGSA-N 2 1 284.447 3.539 20 0 CHADMP c1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC000438085296 1122676635 /nfs/dbraw/zinc/67/66/35/1122676635.db2.gz AZOMCWKIPSBHLS-FCGDIQPGSA-N 2 1 284.447 3.539 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000438108400 1122679377 /nfs/dbraw/zinc/67/93/77/1122679377.db2.gz KINXXUHPJBKMHH-HZPDHXFCSA-N 2 1 292.442 3.593 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000438108400 1122679380 /nfs/dbraw/zinc/67/93/80/1122679380.db2.gz KINXXUHPJBKMHH-HZPDHXFCSA-N 2 1 292.442 3.593 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000438108400 1122679382 /nfs/dbraw/zinc/67/93/82/1122679382.db2.gz KINXXUHPJBKMHH-HZPDHXFCSA-N 2 1 292.442 3.593 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+]CCc1ccc(C(C)C)cc1 ZINC001205639573 1122710393 /nfs/dbraw/zinc/71/03/93/1122710393.db2.gz DOSRPXZGVJTBEN-MRXNPFEDSA-N 2 1 276.468 3.672 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000506342140 1122720543 /nfs/dbraw/zinc/72/05/43/1122720543.db2.gz SBGPZBSZSYXSJQ-IEBWSBKVSA-N 2 1 286.463 3.595 20 0 CHADMP CC(C)c1cccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205651233 1122727889 /nfs/dbraw/zinc/72/78/89/1122727889.db2.gz BFZIVWSGWCHVKW-CRAIPNDOSA-N 2 1 274.452 3.617 20 0 CHADMP Cc1c(C)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)ccc1Cl ZINC001205653977 1122751009 /nfs/dbraw/zinc/75/10/09/1122751009.db2.gz WFZSPKZHXDRFKH-DOMZBBRYSA-N 2 1 294.870 3.764 20 0 CHADMP Cc1c(C)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)ccc1Cl ZINC001205653983 1122751322 /nfs/dbraw/zinc/75/13/22/1122751322.db2.gz WFZSPKZHXDRFKH-SWLSCSKDSA-N 2 1 294.870 3.764 20 0 CHADMP C=C/C=C/CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001194268362 1122763662 /nfs/dbraw/zinc/76/36/62/1122763662.db2.gz HALGMXGQFABBBD-YADGQWAMSA-N 2 1 296.458 3.717 20 0 CHADMP C=C/C=C/CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001194268362 1122763666 /nfs/dbraw/zinc/76/36/66/1122763666.db2.gz HALGMXGQFABBBD-YADGQWAMSA-N 2 1 296.458 3.717 20 0 CHADMP C=C/C=C/CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001194268362 1122763670 /nfs/dbraw/zinc/76/36/70/1122763670.db2.gz HALGMXGQFABBBD-YADGQWAMSA-N 2 1 296.458 3.717 20 0 CHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000638611101 1122773781 /nfs/dbraw/zinc/77/37/81/1122773781.db2.gz FGBLBFNJSRPIOG-ZAWLATJESA-N 2 1 298.474 3.848 20 0 CHADMP C[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167972923 1122869966 /nfs/dbraw/zinc/86/99/66/1122869966.db2.gz FDVRBXPPNPYXMM-UBZVNHDXSA-N 2 1 276.468 3.560 20 0 CHADMP CCCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCC1 ZINC001167975285 1122879725 /nfs/dbraw/zinc/87/97/25/1122879725.db2.gz NQCGUAFSCQMVNO-ALOPSCKCSA-N 2 1 276.468 3.704 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCCCCCC1 ZINC000121476938 1122934606 /nfs/dbraw/zinc/93/46/06/1122934606.db2.gz JZWLKSMHEWEJGC-CQSZACIVSA-N 2 1 263.429 3.530 20 0 CHADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2[C@@H]2C=CCCC2)CC1 ZINC001196936129 1122939956 /nfs/dbraw/zinc/93/99/56/1122939956.db2.gz PYTIUGZNYKESQD-QZTJIDSGSA-N 2 1 276.468 3.682 20 0 CHADMP CC(C)c1ccccc1C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC001196981195 1122941868 /nfs/dbraw/zinc/94/18/68/1122941868.db2.gz GWEMTJXNECKWGJ-UHFFFAOYSA-N 2 1 274.452 3.726 20 0 CHADMP CC(C)C[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000427120195 1122944702 /nfs/dbraw/zinc/94/47/02/1122944702.db2.gz AHMZKWRLXVPXNB-QRVBRYPASA-N 2 1 286.463 3.500 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1cccc(F)c1 ZINC000187964815 1122981930 /nfs/dbraw/zinc/98/19/30/1122981930.db2.gz SXSDWFSGSASGBR-CRAIPNDOSA-N 2 1 292.442 3.987 20 0 CHADMP Cc1cc(C)c(/C=C/C[NH2+]C2CC[NH+](C3CC3)CC2)c(C)c1 ZINC001199077949 1123020525 /nfs/dbraw/zinc/02/05/25/1123020525.db2.gz MVEMOARIGWGSLE-SNAWJCMRSA-N 2 1 298.474 3.841 20 0 CHADMP CSc1ccccc1[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000440608688 1123021273 /nfs/dbraw/zinc/02/12/73/1123021273.db2.gz DWJARSURPGUELE-HNNXBMFYSA-N 2 1 292.492 3.935 20 0 CHADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC001199248680 1123024181 /nfs/dbraw/zinc/02/41/81/1123024181.db2.gz WMSKYMZZBOFDRM-DLBZAZTESA-N 2 1 298.515 3.539 20 0 CHADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCC1CCCCC1 ZINC001199246177 1123024221 /nfs/dbraw/zinc/02/42/21/1123024221.db2.gz BNHAMIJBURWHAG-UHFFFAOYSA-N 2 1 275.440 3.598 20 0 CHADMP CCCCCC[C@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000121520643 1123028044 /nfs/dbraw/zinc/02/80/44/1123028044.db2.gz JJTLUZAFWJOLJS-CABCVRRESA-N 2 1 265.445 3.776 20 0 CHADMP CC[C@@H](F)C[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000440799575 1123039721 /nfs/dbraw/zinc/03/97/21/1123039721.db2.gz UICSWLSMLNODJT-QGZVFWFLSA-N 2 1 284.463 3.569 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1 ZINC001199864432 1123043545 /nfs/dbraw/zinc/04/35/45/1123043545.db2.gz KSIAWPWKJLOVGB-RBUKOAKNSA-N 2 1 297.446 3.898 20 0 CHADMP Cc1c(C)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)ccc1Cl ZINC001205915254 1123085575 /nfs/dbraw/zinc/08/55/75/1123085575.db2.gz OYJWFACVWNSUNK-KGLIPLIRSA-N 2 1 280.843 3.516 20 0 CHADMP CCCCCC[C@H]1CCC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000776166722 1123098324 /nfs/dbraw/zinc/09/83/24/1123098324.db2.gz CZLNFJOPKOHTDS-ROUUACIJSA-N 2 1 278.484 3.977 20 0 CHADMP CCCCCC[C@@H]1CCC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000776166707 1123098489 /nfs/dbraw/zinc/09/84/89/1123098489.db2.gz CZLNFJOPKOHTDS-MSOLQXFVSA-N 2 1 278.484 3.977 20 0 CHADMP CSc1cccc(Cl)c1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205917502 1123102171 /nfs/dbraw/zinc/10/21/71/1123102171.db2.gz ZGUVRVFXHLRRFW-VXGBXAGGSA-N 2 1 298.883 3.621 20 0 CHADMP CSc1cccc(Cl)c1C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205917502 1123102174 /nfs/dbraw/zinc/10/21/74/1123102174.db2.gz ZGUVRVFXHLRRFW-VXGBXAGGSA-N 2 1 298.883 3.621 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001201490525 1123109613 /nfs/dbraw/zinc/10/96/13/1123109613.db2.gz MLSRBSULHNYFFM-QGZVFWFLSA-N 2 1 266.473 3.787 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)C[C@@H](C)CCC=C(C)C ZINC001201496571 1123110169 /nfs/dbraw/zinc/11/01/69/1123110169.db2.gz OZYIUWOYHIBBAR-INIZCTEOSA-N 2 1 254.462 3.643 20 0 CHADMP CCCC[NH+]1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001201706424 1123138458 /nfs/dbraw/zinc/13/84/58/1123138458.db2.gz MXWHKEZWPQEFGH-KRWDZBQOSA-N 2 1 290.451 3.756 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C[C@@H]1c1ccccc1 ZINC000414344024 1129101391 /nfs/dbraw/zinc/10/13/91/1129101391.db2.gz KCOKMQGGRLQBSS-BRSBDYLESA-N 2 1 296.414 3.561 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C[C@@H]1c1ccccc1 ZINC000414344024 1129101393 /nfs/dbraw/zinc/10/13/93/1129101393.db2.gz KCOKMQGGRLQBSS-BRSBDYLESA-N 2 1 296.414 3.561 20 0 CHADMP CCCCC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001201737580 1123143417 /nfs/dbraw/zinc/14/34/17/1123143417.db2.gz VQEMYFSOEJKNEJ-RBUKOAKNSA-N 2 1 286.463 3.631 20 0 CHADMP CCCCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201737580 1123143419 /nfs/dbraw/zinc/14/34/19/1123143419.db2.gz VQEMYFSOEJKNEJ-RBUKOAKNSA-N 2 1 286.463 3.631 20 0 CHADMP CCCCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201737580 1123143420 /nfs/dbraw/zinc/14/34/20/1123143420.db2.gz VQEMYFSOEJKNEJ-RBUKOAKNSA-N 2 1 286.463 3.631 20 0 CHADMP CCCCCC[C@@H]1CCC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000776266350 1123194588 /nfs/dbraw/zinc/19/45/88/1123194588.db2.gz UBFFBVSIUZCIIJ-NVXWUHKLSA-N 2 1 277.456 3.691 20 0 CHADMP CC1CC([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168005582 1123198328 /nfs/dbraw/zinc/19/83/28/1123198328.db2.gz JXUAMYKJTYKUJR-MFYDLUHHSA-N 2 1 286.463 3.816 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)c(C)c2)C[C@@H]1C ZINC000507812446 1123218539 /nfs/dbraw/zinc/21/85/39/1123218539.db2.gz HNISFKPZLGWSKH-GOEBONIOSA-N 2 1 294.870 3.953 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)c(C)c2)C[C@@H]1C ZINC000507812446 1123218542 /nfs/dbraw/zinc/21/85/42/1123218542.db2.gz HNISFKPZLGWSKH-GOEBONIOSA-N 2 1 294.870 3.953 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)c(C)c2)C[C@@H]1C ZINC000507812446 1123218544 /nfs/dbraw/zinc/21/85/44/1123218544.db2.gz HNISFKPZLGWSKH-GOEBONIOSA-N 2 1 294.870 3.953 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)c(C)c2)C[C@@H]1C ZINC000507812446 1123218547 /nfs/dbraw/zinc/21/85/47/1123218547.db2.gz HNISFKPZLGWSKH-GOEBONIOSA-N 2 1 294.870 3.953 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)c(C)c2)C[C@@H]1C ZINC000507812449 1123218916 /nfs/dbraw/zinc/21/89/16/1123218916.db2.gz HNISFKPZLGWSKH-HOCLYGCPSA-N 2 1 294.870 3.953 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)c(C)c2)C[C@@H]1C ZINC000507812449 1123218920 /nfs/dbraw/zinc/21/89/20/1123218920.db2.gz HNISFKPZLGWSKH-HOCLYGCPSA-N 2 1 294.870 3.953 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Cl)c(C)c2)C[C@@H]1C ZINC000507812449 1123218922 /nfs/dbraw/zinc/21/89/22/1123218922.db2.gz HNISFKPZLGWSKH-HOCLYGCPSA-N 2 1 294.870 3.953 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)c(C)c2)C[C@@H]1C ZINC000507812449 1123218925 /nfs/dbraw/zinc/21/89/25/1123218925.db2.gz HNISFKPZLGWSKH-HOCLYGCPSA-N 2 1 294.870 3.953 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000266919768 1123221623 /nfs/dbraw/zinc/22/16/23/1123221623.db2.gz YIDPAMKZDYRGCY-LLVKDONJSA-N 2 1 297.324 3.561 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccc(C)cc1)C1CCC1 ZINC000427702226 1123243853 /nfs/dbraw/zinc/24/38/53/1123243853.db2.gz RPEVHRZYHCINLQ-GOSISDBHSA-N 2 1 283.419 3.631 20 0 CHADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335018613 1123291452 /nfs/dbraw/zinc/29/14/52/1123291452.db2.gz WJTHWBZYJOKWJE-LBPRGKRZSA-N 2 1 298.352 3.594 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000271336944 1129113197 /nfs/dbraw/zinc/11/31/97/1129113197.db2.gz BVPGFMIZPGKBMF-MRXNPFEDSA-N 2 1 289.448 3.774 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCC(C(F)F)CC1 ZINC000442643952 1123331793 /nfs/dbraw/zinc/33/17/93/1123331793.db2.gz GZEKZPBQPOHGNF-WLYUNCDWSA-N 2 1 288.426 3.664 20 0 CHADMP C[C@@H]([NH2+]CC[N@H+](C)C1CCCC1)C1CCC(F)(F)CC1 ZINC000474038501 1123350368 /nfs/dbraw/zinc/35/03/68/1123350368.db2.gz UUEGOUJDBIIDFH-CYBMUJFWSA-N 2 1 288.426 3.664 20 0 CHADMP C[C@@H]([NH2+]CC[N@@H+](C)C1CCCC1)C1CCC(F)(F)CC1 ZINC000474038501 1123350372 /nfs/dbraw/zinc/35/03/72/1123350372.db2.gz UUEGOUJDBIIDFH-CYBMUJFWSA-N 2 1 288.426 3.664 20 0 CHADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(Cl)cc1 ZINC000271842538 1129115814 /nfs/dbraw/zinc/11/58/14/1129115814.db2.gz HCQHDBYKBLAAHU-MRXNPFEDSA-N 2 1 278.827 3.643 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000272603499 1129120149 /nfs/dbraw/zinc/12/01/49/1129120149.db2.gz YDQSSGSGPWFBLM-UHFFFAOYSA-N 2 1 290.410 3.608 20 0 CHADMP CC(C)[N@@H+](Cc1cc(Cl)cs1)[C@H]1CCC[NH2+]CC1 ZINC001206599353 1129120934 /nfs/dbraw/zinc/12/09/34/1129120934.db2.gz RSSBWYCGMRVIMK-ZDUSSCGKSA-N 2 1 286.872 3.754 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@H](C)CCc2ccccc2)C1 ZINC001648959959 1123439029 /nfs/dbraw/zinc/43/90/29/1123439029.db2.gz HDVINWGIQWAXEL-IEBWSBKVSA-N 2 1 288.479 3.577 20 0 CHADMP C[C@@H]1C[C@H]([N@@H+](C)CCCC2CCCCC2)CCN1C ZINC000428284960 1123442671 /nfs/dbraw/zinc/44/26/71/1123442671.db2.gz MWNJGMHQAYZCAV-NVXWUHKLSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)CCCC2CCCCC2)CC[N@@H+]1C ZINC000428284960 1123442673 /nfs/dbraw/zinc/44/26/73/1123442673.db2.gz MWNJGMHQAYZCAV-NVXWUHKLSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)CCCC2CCCCC2)CC[N@H+]1C ZINC000428284960 1123442676 /nfs/dbraw/zinc/44/26/76/1123442676.db2.gz MWNJGMHQAYZCAV-NVXWUHKLSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@@H]1C[C@H]([N@H+](C)CCCC2CCCCC2)CC[NH+]1C ZINC000428284960 1123442680 /nfs/dbraw/zinc/44/26/80/1123442680.db2.gz MWNJGMHQAYZCAV-NVXWUHKLSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@@H]1C[C@H]([N@@H+](C)CCCC2CCCCC2)CC[NH+]1C ZINC000428284960 1123442684 /nfs/dbraw/zinc/44/26/84/1123442684.db2.gz MWNJGMHQAYZCAV-NVXWUHKLSA-N 2 1 266.473 3.761 20 0 CHADMP CC(C)C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000052379138 1123481678 /nfs/dbraw/zinc/48/16/78/1123481678.db2.gz QUWJAOKZMXOWAT-MRXNPFEDSA-N 2 1 274.452 3.807 20 0 CHADMP CC(C)[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000474281874 1123499959 /nfs/dbraw/zinc/49/99/59/1123499959.db2.gz FTRHUJRXGPZWML-NEWSRXKRSA-N 2 1 288.479 3.841 20 0 CHADMP CC(C)[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000474281874 1123499960 /nfs/dbraw/zinc/49/99/60/1123499960.db2.gz FTRHUJRXGPZWML-NEWSRXKRSA-N 2 1 288.479 3.841 20 0 CHADMP CC(C)[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000474281874 1123499962 /nfs/dbraw/zinc/49/99/62/1123499962.db2.gz FTRHUJRXGPZWML-NEWSRXKRSA-N 2 1 288.479 3.841 20 0 CHADMP CC(C)[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000474281874 1123499965 /nfs/dbraw/zinc/49/99/65/1123499965.db2.gz FTRHUJRXGPZWML-NEWSRXKRSA-N 2 1 288.479 3.841 20 0 CHADMP CC(C)C[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000474277475 1123500635 /nfs/dbraw/zinc/50/06/35/1123500635.db2.gz SYQMHLRIYPZEAR-HKUYNNGSSA-N 2 1 288.479 3.700 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@H](c2ccccc2)C(C)C)C1 ZINC000474604002 1123557417 /nfs/dbraw/zinc/55/74/17/1123557417.db2.gz PYMCCEIBJHDQEA-HKUYNNGSSA-N 2 1 288.479 3.748 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000313870178 1129129772 /nfs/dbraw/zinc/12/97/72/1129129772.db2.gz QSRIHCMKEZARSW-DNVCBOLYSA-N 2 1 280.415 3.586 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C1CCCC1 ZINC000453350919 1123575412 /nfs/dbraw/zinc/57/54/12/1123575412.db2.gz JZTUBBJEGBENMV-MNEFBYGVSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C1CCCC1 ZINC000453350919 1123575417 /nfs/dbraw/zinc/57/54/17/1123575417.db2.gz JZTUBBJEGBENMV-MNEFBYGVSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCNc1cc[nH+]c2ccccc12 ZINC000041720331 1123594791 /nfs/dbraw/zinc/59/47/91/1123594791.db2.gz SMWOLBGOZCZJJC-HNNXBMFYSA-N 2 1 283.419 3.911 20 0 CHADMP C[C@@H]1CC([N@H+]2CCC3(CC3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168043835 1123607001 /nfs/dbraw/zinc/60/70/01/1123607001.db2.gz DCYODULQQKWPII-IAGOWNOFSA-N 2 1 298.474 3.914 20 0 CHADMP C[C@@H](Cc1ccccc1Cl)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858098063 1123630952 /nfs/dbraw/zinc/63/09/52/1123630952.db2.gz GELORNLOSSXYIE-DZGCQCFKSA-N 2 1 294.870 3.733 20 0 CHADMP C[NH+](C)Cc1cnc(C[NH2+]CC[C@H]2CCCC2(C)C)s1 ZINC000858203241 1123637809 /nfs/dbraw/zinc/63/78/09/1123637809.db2.gz PDVZGTMTULOWHL-CYBMUJFWSA-N 2 1 295.496 3.511 20 0 CHADMP CC(C)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC000157952079 1129135218 /nfs/dbraw/zinc/13/52/18/1129135218.db2.gz QBMYQMKGTVDTBU-DOTOQJQBSA-N 2 1 266.473 3.523 20 0 CHADMP CCC[C@@H](C)CCC[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000858406288 1123651216 /nfs/dbraw/zinc/65/12/16/1123651216.db2.gz HCXXSBRSNAEFCW-HUUCEWRRSA-N 2 1 265.445 3.547 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CCCCCCc2ccccc2)CC[N@H+]1C ZINC000858460718 1123656203 /nfs/dbraw/zinc/65/62/03/1123656203.db2.gz CVMPCGMHRUMHBF-MJGOQNOKSA-N 2 1 288.479 3.862 20 0 CHADMP CC(C)C[N@@H+](Cc1cc(-n2ccnc2)cs1)C(C)C ZINC000346134734 1123668428 /nfs/dbraw/zinc/66/84/28/1123668428.db2.gz NZGIMNMRPIIRMC-UHFFFAOYSA-N 2 1 277.437 3.800 20 0 CHADMP CC[N@@H+](Cc1cc(-n2ccnc2)cs1)[C@@H](C)C(C)C ZINC000346176234 1123669451 /nfs/dbraw/zinc/66/94/51/1123669451.db2.gz NTGZYRRWPHYOBO-ZDUSSCGKSA-N 2 1 277.437 3.800 20 0 CHADMP CC1(C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000346575509 1123696537 /nfs/dbraw/zinc/69/65/37/1123696537.db2.gz PFSZPGCFOWPWAN-FBVQUNGASA-N 2 1 284.447 3.570 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC(C)(C)C2)c1 ZINC000346617142 1123698619 /nfs/dbraw/zinc/69/86/19/1123698619.db2.gz XMLWLWGDMRRHHL-QGZVFWFLSA-N 2 1 274.452 3.807 20 0 CHADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cccc(-c2ccncc2)c1 ZINC000346686667 1123708509 /nfs/dbraw/zinc/70/85/09/1123708509.db2.gz SASRBXAZFRGZDX-LJQANCHMSA-N 2 1 297.446 3.554 20 0 CHADMP CCSc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000158157191 1129140791 /nfs/dbraw/zinc/14/07/91/1129140791.db2.gz XTKNUAQTOFUNLM-GJZGRUSLSA-N 2 1 292.492 3.791 20 0 CHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4)s3)C[C@@H]12 ZINC000346850694 1123724792 /nfs/dbraw/zinc/72/47/92/1123724792.db2.gz VCOUTJQGFWKSAF-USXIJHARSA-N 2 1 298.455 3.584 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+]CC2CCC(C(C)(C)C)CC2)C1 ZINC000129872405 1123856087 /nfs/dbraw/zinc/85/60/87/1123856087.db2.gz OZHPFZQLJTZCIY-AQFXKWCLSA-N 2 1 280.500 3.770 20 0 CHADMP CCc1cc(NC[C@H]2CCC[N@@H+](C)C2)c2ccccc2[nH+]1 ZINC000302004079 1123948821 /nfs/dbraw/zinc/94/88/21/1123948821.db2.gz YWFGHCRCBNNRSS-CQSZACIVSA-N 2 1 283.419 3.551 20 0 CHADMP Cc1cc(NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)nc(C)[nH+]1 ZINC000302441509 1123968590 /nfs/dbraw/zinc/96/85/90/1123968590.db2.gz AJGVRTUDHRTEBX-AWEZNQCLSA-N 2 1 298.434 3.635 20 0 CHADMP CCC(CC)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C(F)(F)F ZINC000865756295 1124010972 /nfs/dbraw/zinc/01/09/72/1124010972.db2.gz IYDDWGMDCFWNHQ-OLZOCXBDSA-N 2 1 292.389 3.572 20 0 CHADMP C[C@@H](c1ccccc1Cl)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758647 1124021400 /nfs/dbraw/zinc/02/14/00/1124021400.db2.gz WYTVWOSAXZOCSA-AWEZNQCLSA-N 2 1 292.854 3.819 20 0 CHADMP CCc1cccc(Cl)c1CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000475585414 1124021646 /nfs/dbraw/zinc/02/16/46/1124021646.db2.gz RCGQOPAPPDBHDN-CQSZACIVSA-N 2 1 294.870 3.676 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CC(CC)(CC)C(F)(F)F)[C@H](C)C1 ZINC000866505668 1124074845 /nfs/dbraw/zinc/07/48/45/1124074845.db2.gz RJJNHPCMYFSCNZ-CHWSQXEVSA-N 2 1 294.405 3.675 20 0 CHADMP CCc1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000445809183 1124101887 /nfs/dbraw/zinc/10/18/87/1124101887.db2.gz FWWGLDQNEZGJQD-UYAOXDASSA-N 2 1 298.474 3.698 20 0 CHADMP CCc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000445809183 1124101888 /nfs/dbraw/zinc/10/18/88/1124101888.db2.gz FWWGLDQNEZGJQD-UYAOXDASSA-N 2 1 298.474 3.698 20 0 CHADMP CCc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000445809183 1124101891 /nfs/dbraw/zinc/10/18/91/1124101891.db2.gz FWWGLDQNEZGJQD-UYAOXDASSA-N 2 1 298.474 3.698 20 0 CHADMP CCc1ccccc1C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000445817115 1124103036 /nfs/dbraw/zinc/10/30/36/1124103036.db2.gz BRHFZWRPULQDQK-YJBOKZPZSA-N 2 1 274.452 3.554 20 0 CHADMP CCc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000445817115 1124103040 /nfs/dbraw/zinc/10/30/40/1124103040.db2.gz BRHFZWRPULQDQK-YJBOKZPZSA-N 2 1 274.452 3.554 20 0 CHADMP CCc1ccccc1C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000445817115 1124103041 /nfs/dbraw/zinc/10/30/41/1124103041.db2.gz BRHFZWRPULQDQK-YJBOKZPZSA-N 2 1 274.452 3.554 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCC(F)F)cc1 ZINC001119540504 1131257811 /nfs/dbraw/zinc/25/78/11/1131257811.db2.gz IHRLGUSLZQERGG-GFCCVEGCSA-N 2 1 293.361 3.877 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1cc2ccccc2o1 ZINC000526949595 1124527573 /nfs/dbraw/zinc/52/75/73/1124527573.db2.gz HDHCIEANHCUMIE-GDBMZVCRSA-N 2 1 286.419 3.958 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1cc2ccccc2o1 ZINC000526949595 1124527580 /nfs/dbraw/zinc/52/75/80/1124527580.db2.gz HDHCIEANHCUMIE-GDBMZVCRSA-N 2 1 286.419 3.958 20 0 CHADMP C[C@H](C[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000447813456 1124532079 /nfs/dbraw/zinc/53/20/79/1124532079.db2.gz RZAUGNDPYLXLRS-ZACQAIPSSA-N 2 1 274.452 3.500 20 0 CHADMP C[C@H](C[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000447813456 1124532087 /nfs/dbraw/zinc/53/20/87/1124532087.db2.gz RZAUGNDPYLXLRS-ZACQAIPSSA-N 2 1 274.452 3.500 20 0 CHADMP C[C@@H]([NH2+]CCCC(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001119931336 1131267117 /nfs/dbraw/zinc/26/71/17/1131267117.db2.gz KXBHLRKSTPMPIX-CHWSQXEVSA-N 2 1 292.389 3.572 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3ccoc32)C[C@@H]1C ZINC000449033239 1124636750 /nfs/dbraw/zinc/63/67/50/1124636750.db2.gz ZEIGBMOSWUASOA-YOEHRIQHSA-N 2 1 286.419 3.737 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3ccoc32)C[C@@H]1C ZINC000449033239 1124636754 /nfs/dbraw/zinc/63/67/54/1124636754.db2.gz ZEIGBMOSWUASOA-YOEHRIQHSA-N 2 1 286.419 3.737 20 0 CHADMP C[NH+]1CCC([NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449060068 1124640812 /nfs/dbraw/zinc/64/08/12/1124640812.db2.gz DNIJULHSSLBGMB-PBHICJAKSA-N 2 1 292.854 3.660 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CCCC[C@H]1C ZINC000449175897 1124660686 /nfs/dbraw/zinc/66/06/86/1124660686.db2.gz PCCCURDHPMDKLY-JJIJKTDDSA-N 2 1 278.484 3.806 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CCCC[C@H]1C ZINC000449175897 1124660687 /nfs/dbraw/zinc/66/06/87/1124660687.db2.gz PCCCURDHPMDKLY-JJIJKTDDSA-N 2 1 278.484 3.806 20 0 CHADMP Cc1ccc(N2CCC([NH2+][C@@H](C)CC(C)(C)C)CC2)[nH+]c1 ZINC000449163385 1124662770 /nfs/dbraw/zinc/66/27/70/1124662770.db2.gz MBWIFWSZLCLWJM-HNNXBMFYSA-N 2 1 289.467 3.773 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2CC(C)(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000449377436 1124715888 /nfs/dbraw/zinc/71/58/88/1124715888.db2.gz UBBDBWLBHIZHCY-DVHLICQRSA-N 2 1 290.426 3.520 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2CC(C)(F)C2)CC[N@H+]1Cc1ccccc1 ZINC000449377436 1124715892 /nfs/dbraw/zinc/71/58/92/1124715892.db2.gz UBBDBWLBHIZHCY-DVHLICQRSA-N 2 1 290.426 3.520 20 0 CHADMP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@H]1CCc2ccccc21 ZINC000873202610 1124750521 /nfs/dbraw/zinc/75/05/21/1124750521.db2.gz VKDHMTINMMNGSR-KRWDZBQOSA-N 2 1 298.455 3.513 20 0 CHADMP C[C@H](CCC1CCCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560539 1124802966 /nfs/dbraw/zinc/80/29/66/1124802966.db2.gz MMAVUXZDMLABED-CCNLRDMRSA-N 2 1 278.484 3.950 20 0 CHADMP CCCC[C@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560032 1124803106 /nfs/dbraw/zinc/80/31/06/1124803106.db2.gz FFNAZKBGWKNSCH-UCHQMPSGSA-N 2 1 264.457 3.560 20 0 CHADMP CC[C@@H](C)[C@H](C)[N@@H+](CCCCn1ccnc1C)C1CC1 ZINC000120690335 1124968218 /nfs/dbraw/zinc/96/82/18/1124968218.db2.gz UGSNCYNWMJROPE-CABCVRRESA-N 2 1 277.456 3.871 20 0 CHADMP CC[C@@H](C)[C@H](C)[N@H+](CCCCn1cc[nH+]c1C)C1CC1 ZINC000120690335 1124968224 /nfs/dbraw/zinc/96/82/24/1124968224.db2.gz UGSNCYNWMJROPE-CABCVRRESA-N 2 1 277.456 3.871 20 0 CHADMP CC[C@@H](C)[C@H](C)[N@@H+](CCCCn1cc[nH+]c1C)C1CC1 ZINC000120690335 1124968230 /nfs/dbraw/zinc/96/82/30/1124968230.db2.gz UGSNCYNWMJROPE-CABCVRRESA-N 2 1 277.456 3.871 20 0 CHADMP CC[C@H](C)[C@@H](C)[N@H+](CCCCn1cc[nH+]c1C)C1CC1 ZINC000120690206 1124968499 /nfs/dbraw/zinc/96/84/99/1124968499.db2.gz UGSNCYNWMJROPE-LSDHHAIUSA-N 2 1 277.456 3.871 20 0 CHADMP CC[C@H](C)[C@@H](C)[N@@H+](CCCCn1cc[nH+]c1C)C1CC1 ZINC000120690206 1124968505 /nfs/dbraw/zinc/96/85/05/1124968505.db2.gz UGSNCYNWMJROPE-LSDHHAIUSA-N 2 1 277.456 3.871 20 0 CHADMP Cn1cc[nH+]c1CC1CC[NH+](CCC2=CCCCC2)CC1 ZINC000450372302 1125004254 /nfs/dbraw/zinc/00/42/54/1125004254.db2.gz NYZDIUNGGRMJRH-UHFFFAOYSA-N 2 1 287.451 3.565 20 0 CHADMP C[N@H+]1CCC[C@@H]2C[NH+](CC/C=C\c3ccccc3)CC[C@H]21 ZINC000450500973 1125045739 /nfs/dbraw/zinc/04/57/39/1125045739.db2.gz MCIMUHCPQWNJBT-GHYUKZRQSA-N 2 1 284.447 3.506 20 0 CHADMP C[NH+]1CCC[C@@H]2C[N@H+](CC/C=C\c3ccccc3)CC[C@H]21 ZINC000450500973 1125045745 /nfs/dbraw/zinc/04/57/45/1125045745.db2.gz MCIMUHCPQWNJBT-GHYUKZRQSA-N 2 1 284.447 3.506 20 0 CHADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC/C=C\c3ccccc3)CC[C@H]21 ZINC000450500973 1125045752 /nfs/dbraw/zinc/04/57/52/1125045752.db2.gz MCIMUHCPQWNJBT-GHYUKZRQSA-N 2 1 284.447 3.506 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCC2=CCCCC2)[C@@H](C)C1 ZINC000450559359 1125056625 /nfs/dbraw/zinc/05/66/25/1125056625.db2.gz FIFZRAIJFALMSX-RDJZCZTQSA-N 2 1 264.457 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCC2=CCCCC2)[C@@H](C)C1 ZINC000450559359 1125056635 /nfs/dbraw/zinc/05/66/35/1125056635.db2.gz FIFZRAIJFALMSX-RDJZCZTQSA-N 2 1 264.457 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CC/C=C\c2ccccc2)[C@@H](C)C1 ZINC000450562143 1125057308 /nfs/dbraw/zinc/05/73/08/1125057308.db2.gz HVUAHAMKEFELLG-BMWKMLHNSA-N 2 1 286.463 3.752 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CC/C=C\c2ccccc2)[C@@H](C)C1 ZINC000450562143 1125057315 /nfs/dbraw/zinc/05/73/15/1125057315.db2.gz HVUAHAMKEFELLG-BMWKMLHNSA-N 2 1 286.463 3.752 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CC/C=C/c2ccccc2)[C@@H](C)C1 ZINC000450562144 1125058016 /nfs/dbraw/zinc/05/80/16/1125058016.db2.gz HVUAHAMKEFELLG-CJEONANGSA-N 2 1 286.463 3.752 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CC/C=C/c2ccccc2)[C@@H](C)C1 ZINC000450562144 1125058025 /nfs/dbraw/zinc/05/80/25/1125058025.db2.gz HVUAHAMKEFELLG-CJEONANGSA-N 2 1 286.463 3.752 20 0 CHADMP C([N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C12CCC(CC1)C2 ZINC000450596231 1125066289 /nfs/dbraw/zinc/06/62/89/1125066289.db2.gz FUFDDXQRUOGKNE-BDFRZKONSA-N 2 1 288.479 3.515 20 0 CHADMP C([N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C12CCC(CC1)C2 ZINC000450596231 1125066297 /nfs/dbraw/zinc/06/62/97/1125066297.db2.gz FUFDDXQRUOGKNE-BDFRZKONSA-N 2 1 288.479 3.515 20 0 CHADMP C([NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C12CCC(CC1)C2 ZINC000450596231 1125066304 /nfs/dbraw/zinc/06/63/04/1125066304.db2.gz FUFDDXQRUOGKNE-BDFRZKONSA-N 2 1 288.479 3.515 20 0 CHADMP C([NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C12CCC(CC1)C2 ZINC000450596231 1125066311 /nfs/dbraw/zinc/06/63/11/1125066311.db2.gz FUFDDXQRUOGKNE-BDFRZKONSA-N 2 1 288.479 3.515 20 0 CHADMP C[N@H+]1CCCC12CCN(CC/C=C/c1ccccc1)CC2 ZINC000450649297 1125078958 /nfs/dbraw/zinc/07/89/58/1125078958.db2.gz XKDACPQFPRRRAC-BJMVGYQFSA-N 2 1 284.447 3.650 20 0 CHADMP C[N@@H+]1CCCC12CC[NH+](CC/C=C/c1ccccc1)CC2 ZINC000450649297 1125078964 /nfs/dbraw/zinc/07/89/64/1125078964.db2.gz XKDACPQFPRRRAC-BJMVGYQFSA-N 2 1 284.447 3.650 20 0 CHADMP C[N@H+]1CCCC12CC[NH+](CC/C=C/c1ccccc1)CC2 ZINC000450649297 1125078973 /nfs/dbraw/zinc/07/89/73/1125078973.db2.gz XKDACPQFPRRRAC-BJMVGYQFSA-N 2 1 284.447 3.650 20 0 CHADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390727990 1125110617 /nfs/dbraw/zinc/11/06/17/1125110617.db2.gz SUNCVCYPLRQNEO-IPMKNSEASA-N 2 1 286.463 3.677 20 0 CHADMP CC(C)Cc1ccccc1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000530213552 1125133417 /nfs/dbraw/zinc/13/34/17/1125133417.db2.gz WUDNTEOJQDIGPJ-AWEZNQCLSA-N 2 1 283.419 3.543 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+]C1CC([NH+]3CCCCC3)C1)[C@@H](C)C2 ZINC000530424447 1125152303 /nfs/dbraw/zinc/15/23/03/1125152303.db2.gz WLFQICOZWALAOL-WVLNKYAVSA-N 2 1 298.474 3.835 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(Cl)c2)C[C@H]1C ZINC000530662721 1125169983 /nfs/dbraw/zinc/16/99/83/1125169983.db2.gz JCGCAJGUAQNBJO-CZUORRHYSA-N 2 1 280.843 3.645 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(Cl)c2)C[C@H]1C ZINC000530662721 1125169985 /nfs/dbraw/zinc/16/99/85/1125169985.db2.gz JCGCAJGUAQNBJO-CZUORRHYSA-N 2 1 280.843 3.645 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(Cl)c2)C[C@H]1C ZINC000530662721 1125169988 /nfs/dbraw/zinc/16/99/88/1125169988.db2.gz JCGCAJGUAQNBJO-CZUORRHYSA-N 2 1 280.843 3.645 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(Cl)c2)C[C@H]1C ZINC000530662721 1125169991 /nfs/dbraw/zinc/16/99/91/1125169991.db2.gz JCGCAJGUAQNBJO-CZUORRHYSA-N 2 1 280.843 3.645 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(Cl)c2)C[C@@H]1C ZINC000530662722 1125170154 /nfs/dbraw/zinc/17/01/54/1125170154.db2.gz JCGCAJGUAQNBJO-XJKSGUPXSA-N 2 1 280.843 3.645 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(Cl)c2)C[C@@H]1C ZINC000530662722 1125170157 /nfs/dbraw/zinc/17/01/57/1125170157.db2.gz JCGCAJGUAQNBJO-XJKSGUPXSA-N 2 1 280.843 3.645 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(Cl)c2)C[C@@H]1C ZINC000530662722 1125170159 /nfs/dbraw/zinc/17/01/59/1125170159.db2.gz JCGCAJGUAQNBJO-XJKSGUPXSA-N 2 1 280.843 3.645 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(Cl)c2)C[C@@H]1C ZINC000530662722 1125170161 /nfs/dbraw/zinc/17/01/61/1125170161.db2.gz JCGCAJGUAQNBJO-XJKSGUPXSA-N 2 1 280.843 3.645 20 0 CHADMP CCc1ccc(CC[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000530901510 1125185595 /nfs/dbraw/zinc/18/55/95/1125185595.db2.gz GNVRNFKHUQHJAC-VQIMIIECSA-N 2 1 288.479 3.596 20 0 CHADMP CCc1ccc(CC[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)cc1 ZINC000530901510 1125185596 /nfs/dbraw/zinc/18/55/96/1125185596.db2.gz GNVRNFKHUQHJAC-VQIMIIECSA-N 2 1 288.479 3.596 20 0 CHADMP CCc1ccc(CC[N@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)cc1 ZINC000530901510 1125185598 /nfs/dbraw/zinc/18/55/98/1125185598.db2.gz GNVRNFKHUQHJAC-VQIMIIECSA-N 2 1 288.479 3.596 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)c2ccccc2)C[C@@H]1C ZINC000530901784 1125186087 /nfs/dbraw/zinc/18/60/87/1125186087.db2.gz AVKKAGXXFUWLED-RYRKJORJSA-N 2 1 274.452 3.595 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)c2ccccc2)C[C@@H]1C ZINC000530901784 1125186091 /nfs/dbraw/zinc/18/60/91/1125186091.db2.gz AVKKAGXXFUWLED-RYRKJORJSA-N 2 1 274.452 3.595 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)c2ccccc2)C[C@@H]1C ZINC000530901784 1125186095 /nfs/dbraw/zinc/18/60/95/1125186095.db2.gz AVKKAGXXFUWLED-RYRKJORJSA-N 2 1 274.452 3.595 20 0 CHADMP Cc1cc2cc(CN[C@H]3CC[N@@H+](C)[C@@H](C)C3)oc2cc1C ZINC000530913155 1125187397 /nfs/dbraw/zinc/18/73/97/1125187397.db2.gz USHGPZITCCYCIS-HOCLYGCPSA-N 2 1 286.419 3.622 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000531383528 1125215858 /nfs/dbraw/zinc/21/58/58/1125215858.db2.gz NVOCPGGUPSKBBR-KRWDZBQOSA-N 2 1 288.479 3.758 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000531383528 1125215861 /nfs/dbraw/zinc/21/58/61/1125215861.db2.gz NVOCPGGUPSKBBR-KRWDZBQOSA-N 2 1 288.479 3.758 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000531383528 1125215863 /nfs/dbraw/zinc/21/58/63/1125215863.db2.gz NVOCPGGUPSKBBR-KRWDZBQOSA-N 2 1 288.479 3.758 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CCCC2CCCCC2)[C@@H](C)C1 ZINC000532195399 1125239383 /nfs/dbraw/zinc/23/93/83/1125239383.db2.gz IFQXFGYEMVHDMR-DOTOQJQBSA-N 2 1 266.473 3.667 20 0 CHADMP CC[C@@H](C[NH2+][C@@H](C)CCC=C(C)C)[NH+]1CCCC1 ZINC000532195429 1125239521 /nfs/dbraw/zinc/23/95/21/1125239521.db2.gz JASGQQNUAZELOP-HOTGVXAUSA-N 2 1 252.446 3.585 20 0 CHADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)C1CCCCC1 ZINC000532208436 1125240988 /nfs/dbraw/zinc/24/09/88/1125240988.db2.gz IJSSVBQMWIAKLU-JYYAWHABSA-N 2 1 266.473 3.521 20 0 CHADMP COc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC000897415340 1125317157 /nfs/dbraw/zinc/31/71/57/1125317157.db2.gz YCNMEIHEBQBWIK-ZBFHGGJFSA-N 2 1 290.451 3.527 20 0 CHADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC2(CCC2)C1 ZINC000192069811 1125330744 /nfs/dbraw/zinc/33/07/44/1125330744.db2.gz SXWKJAACVKAFHQ-UHFFFAOYSA-N 2 1 281.403 3.557 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639930018 1125339790 /nfs/dbraw/zinc/33/97/90/1125339790.db2.gz RWKCVCNHTDIXAO-INIZCTEOSA-N 2 1 287.407 3.648 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639930018 1125339795 /nfs/dbraw/zinc/33/97/95/1125339795.db2.gz RWKCVCNHTDIXAO-INIZCTEOSA-N 2 1 287.407 3.648 20 0 CHADMP Cc1cc(C)c2[nH+]c(NC3(C)CC[NH2+]CC3)cc(C)c2c1 ZINC001168183301 1125351839 /nfs/dbraw/zinc/35/18/39/1125351839.db2.gz CEFRNKQOPQHLGO-UHFFFAOYSA-N 2 1 283.419 3.714 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C(C2CCCC2)C2CCCC2)CC[N@@H+]1C ZINC000129861134 1125352334 /nfs/dbraw/zinc/35/23/34/1125352334.db2.gz RNWVVXOLCZPJAK-YOEHRIQHSA-N 2 1 278.484 3.808 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C(C2CCCC2)C2CCCC2)CC[N@H+]1C ZINC000129861134 1125352337 /nfs/dbraw/zinc/35/23/37/1125352337.db2.gz RNWVVXOLCZPJAK-YOEHRIQHSA-N 2 1 278.484 3.808 20 0 CHADMP CC[C@H](CC(C)C)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001246140020 1131351044 /nfs/dbraw/zinc/35/10/44/1131351044.db2.gz DNXIQGHSJCPSCN-ZACQAIPSSA-N 2 1 260.425 3.504 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(C(C)C)cc2)[C@H](C)C1 ZINC000532441848 1125386687 /nfs/dbraw/zinc/38/66/87/1125386687.db2.gz BZMRTWAUFAWQJS-VQIMIIECSA-N 2 1 288.479 3.672 20 0 CHADMP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040622061 1125388917 /nfs/dbraw/zinc/38/89/17/1125388917.db2.gz RCRYLDLUSLMNLT-JYJNAYRXSA-N 2 1 254.462 3.521 20 0 CHADMP Cc1ccccc1C1CC([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000040622766 1125389012 /nfs/dbraw/zinc/38/90/12/1125389012.db2.gz ODYWUFWKZWTMEZ-WWDZGPRUSA-N 2 1 286.463 3.561 20 0 CHADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2cccc3ccccc32)C1 ZINC000226539670 1125392073 /nfs/dbraw/zinc/39/20/73/1125392073.db2.gz VUAKBSMIFONPSO-OFQRWUPVSA-N 2 1 268.404 3.570 20 0 CHADMP CC[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000532459622 1125392589 /nfs/dbraw/zinc/39/25/89/1125392589.db2.gz OFGZMISLUHCBMQ-HOTGVXAUSA-N 2 1 274.452 3.807 20 0 CHADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1F ZINC000532503972 1125408023 /nfs/dbraw/zinc/40/80/23/1125408023.db2.gz WPEBLQTUWPDEEC-CZUORRHYSA-N 2 1 280.431 3.843 20 0 CHADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883439502 1125410544 /nfs/dbraw/zinc/41/05/44/1125410544.db2.gz SWOSLCDSEHCTOL-ZFWWWQNUSA-N 2 1 288.426 3.509 20 0 CHADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CCCC2(F)F)[C@@H]1CCC[NH3+] ZINC000883436342 1125410697 /nfs/dbraw/zinc/41/06/97/1125410697.db2.gz QCTWGVRQMVDFJH-RBSFLKMASA-N 2 1 288.426 3.651 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC2(C1)CCCCC2 ZINC000124435068 1125439081 /nfs/dbraw/zinc/43/90/81/1125439081.db2.gz ODKBUKLPZSPXSM-UHFFFAOYSA-N 2 1 275.440 3.628 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC2(C1)CCCCC2 ZINC000124435068 1125439085 /nfs/dbraw/zinc/43/90/85/1125439085.db2.gz ODKBUKLPZSPXSM-UHFFFAOYSA-N 2 1 275.440 3.628 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC[C@@H]1CCC[C@H](C)C1 ZINC000348253935 1125441708 /nfs/dbraw/zinc/44/17/08/1125441708.db2.gz BLIWBWJTIJATNS-RDJZCZTQSA-N 2 1 277.456 3.730 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC[C@@H]1CCC[C@H](C)C1 ZINC000348253935 1125441711 /nfs/dbraw/zinc/44/17/11/1125441711.db2.gz BLIWBWJTIJATNS-RDJZCZTQSA-N 2 1 277.456 3.730 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC[C@H]1CCC[C@@H](C)C1 ZINC000348253934 1125441798 /nfs/dbraw/zinc/44/17/98/1125441798.db2.gz BLIWBWJTIJATNS-NVXWUHKLSA-N 2 1 277.456 3.730 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC[C@H]1CCC[C@@H](C)C1 ZINC000348253934 1125441802 /nfs/dbraw/zinc/44/18/02/1125441802.db2.gz BLIWBWJTIJATNS-NVXWUHKLSA-N 2 1 277.456 3.730 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000348256327 1125446553 /nfs/dbraw/zinc/44/65/53/1125446553.db2.gz MVSUHOOXYWYUCW-LJQANCHMSA-N 2 1 297.446 3.635 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000348256327 1125446557 /nfs/dbraw/zinc/44/65/57/1125446557.db2.gz MVSUHOOXYWYUCW-LJQANCHMSA-N 2 1 297.446 3.635 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000125782760 1125452017 /nfs/dbraw/zinc/45/20/17/1125452017.db2.gz NYISISIFOCYTHP-WMZOPIPTSA-N 2 1 274.452 3.848 20 0 CHADMP CCCc1ccc(C[N@H+](C)C2CC[NH+](CC)CC2)s1 ZINC000621710700 1129182342 /nfs/dbraw/zinc/18/23/42/1129182342.db2.gz MLMIFBCCPWWTFJ-UHFFFAOYSA-N 2 1 280.481 3.617 20 0 CHADMP CCCc1ccc(C[N@@H+](C)C2CC[NH+](CC)CC2)s1 ZINC000621710700 1129182345 /nfs/dbraw/zinc/18/23/45/1129182345.db2.gz MLMIFBCCPWWTFJ-UHFFFAOYSA-N 2 1 280.481 3.617 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000638853748 1129272696 /nfs/dbraw/zinc/27/26/96/1129272696.db2.gz JAIAQYXFEYDVKH-CZUORRHYSA-N 2 1 296.405 3.660 20 0 CHADMP CSc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000348043628 1129275859 /nfs/dbraw/zinc/27/58/59/1129275859.db2.gz OAZAKDJLOQHWLM-MBNYWOFBSA-N 2 1 296.455 3.681 20 0 CHADMP C1=CCC(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639347157 1129304211 /nfs/dbraw/zinc/30/42/11/1129304211.db2.gz YLDOWJATWZDDRD-UYAOXDASSA-N 2 1 296.458 3.910 20 0 CHADMP C1=CCC(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639347157 1129304215 /nfs/dbraw/zinc/30/42/15/1129304215.db2.gz YLDOWJATWZDDRD-UYAOXDASSA-N 2 1 296.458 3.910 20 0 CHADMP C[C@H]([NH2+]CC[NH2+]C1CC1)C(c1ccccc1)c1ccccc1 ZINC000643506706 1129443797 /nfs/dbraw/zinc/44/37/97/1129443797.db2.gz GGSGMBLEXXSSFE-INIZCTEOSA-N 2 1 294.442 3.549 20 0 CHADMP C[C@@H]([NH2+]CC[NH2+]C1CC1)C(c1ccccc1)c1ccccc1 ZINC000643506707 1129443919 /nfs/dbraw/zinc/44/39/19/1129443919.db2.gz GGSGMBLEXXSSFE-MRXNPFEDSA-N 2 1 294.442 3.549 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)C2CCC2)o1 ZINC000643547464 1129445325 /nfs/dbraw/zinc/44/53/25/1129445325.db2.gz FVACGBYYTCOMOI-DOTOQJQBSA-N 2 1 288.435 3.694 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc2ccccc2n1 ZINC000643546062 1129445495 /nfs/dbraw/zinc/44/54/95/1129445495.db2.gz HQBUJWGMHWYQJV-HOCLYGCPSA-N 2 1 295.430 3.560 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)c(F)c1 ZINC000643548874 1129446172 /nfs/dbraw/zinc/44/61/72/1129446172.db2.gz WMMYWCXBOVXHFP-YPMHNXCESA-N 2 1 296.817 3.804 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1[C@@H]1CCC(C)(C)C1 ZINC001258606776 1129458758 /nfs/dbraw/zinc/45/87/58/1129458758.db2.gz BYRHEMVCTGOLED-GVDBMIGSSA-N 2 1 278.484 3.904 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@@H]1CCC(C)(C)C1 ZINC001258606776 1129458759 /nfs/dbraw/zinc/45/87/59/1129458759.db2.gz BYRHEMVCTGOLED-GVDBMIGSSA-N 2 1 278.484 3.904 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@@H]1CCC(C)(C)C1 ZINC001258606776 1129458761 /nfs/dbraw/zinc/45/87/61/1129458761.db2.gz BYRHEMVCTGOLED-GVDBMIGSSA-N 2 1 278.484 3.904 20 0 CHADMP CCCCC[C@H](CCC)[N@H+]1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001258673839 1129488777 /nfs/dbraw/zinc/48/87/77/1129488777.db2.gz PKARPPQRNSHRPU-YESZJQIVSA-N 2 1 266.473 3.761 20 0 CHADMP Cc1cccc(C2([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)c1 ZINC000647236865 1129559841 /nfs/dbraw/zinc/55/98/41/1129559841.db2.gz PHGSTFILFCBIST-ROUUACIJSA-N 2 1 284.447 3.591 20 0 CHADMP CC1CCC([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000647248685 1129560446 /nfs/dbraw/zinc/56/04/46/1129560446.db2.gz RNNNVKZMIFANOX-IOXAMRCBSA-N 2 1 286.463 3.500 20 0 CHADMP CCCC(CCC)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647343223 1129571031 /nfs/dbraw/zinc/57/10/31/1129571031.db2.gz INEHFKKOUVEIES-MJGOQNOKSA-N 2 1 288.479 3.890 20 0 CHADMP Cc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000647479973 1129578741 /nfs/dbraw/zinc/57/87/41/1129578741.db2.gz ZMATZNWXOOHEHH-DOTOQJQBSA-N 2 1 292.854 3.612 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000647479973 1129578744 /nfs/dbraw/zinc/57/87/44/1129578744.db2.gz ZMATZNWXOOHEHH-DOTOQJQBSA-N 2 1 292.854 3.612 20 0 CHADMP CC(C)c1ccc([C@@H](C)[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000181547316 1129579017 /nfs/dbraw/zinc/57/90/17/1129579017.db2.gz CYHGWEOOQUBSEB-OAHLLOKOSA-N 2 1 274.452 3.897 20 0 CHADMP CC[C@@H]1C[N@H+](Cc2c(Cl)oc3ccccc32)CC[C@H]1[NH3+] ZINC000647498840 1129580488 /nfs/dbraw/zinc/58/04/88/1129580488.db2.gz RWDSETYMBYYAEV-BXUZGUMPSA-N 2 1 292.810 3.645 20 0 CHADMP CC[C@@H]1C[N@@H+](Cc2c(Cl)oc3ccccc32)CC[C@H]1[NH3+] ZINC000647498840 1129580491 /nfs/dbraw/zinc/58/04/91/1129580491.db2.gz RWDSETYMBYYAEV-BXUZGUMPSA-N 2 1 292.810 3.645 20 0 CHADMP c1ccc([C@@H]2CCC[N@@H+]2CCCC2CC[NH2+]CC2)cc1 ZINC000647874404 1129586787 /nfs/dbraw/zinc/58/67/87/1129586787.db2.gz ROUFNOHOOWJZLE-SFHVURJKSA-N 2 1 272.436 3.603 20 0 CHADMP C[C@H](C[N@@H+](C)CCCC1CC[NH2+]CC1)c1ccccc1 ZINC000647884111 1129587278 /nfs/dbraw/zinc/58/72/78/1129587278.db2.gz HZJDLUMBZCVYOB-MRXNPFEDSA-N 2 1 274.452 3.502 20 0 CHADMP c1ccc2c(c1)cccc2[C@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647882017 1129587376 /nfs/dbraw/zinc/58/73/76/1129587376.db2.gz BKCGBZDCXAPNCL-HNAYVOBHSA-N 2 1 280.415 3.586 20 0 CHADMP CC[N@@H+](CCCC1CC[NH2+]CC1)[C@H](C)c1cccc(O)c1 ZINC000647880387 1129587425 /nfs/dbraw/zinc/58/74/25/1129587425.db2.gz SIYNNVOLHCMVEC-OAHLLOKOSA-N 2 1 290.451 3.555 20 0 CHADMP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978793 1129591352 /nfs/dbraw/zinc/59/13/52/1129591352.db2.gz YGCKONZNBRMLQL-HYVNUMGLSA-N 2 1 290.426 3.598 20 0 CHADMP Clc1cc2c(s1)CC[N@@H+](CCCC1CC[NH2+]CC1)C2 ZINC000647995409 1129591387 /nfs/dbraw/zinc/59/13/87/1129591387.db2.gz VSMFWXBWJHUWGJ-UHFFFAOYSA-N 2 1 298.883 3.539 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000379040218 1129635331 /nfs/dbraw/zinc/63/53/31/1129635331.db2.gz SGJDRBULIWCHER-SJLPKXTDSA-N 2 1 286.463 3.677 20 0 CHADMP C(=C/C[N@H+]1CCC12CCCC2)\C[NH+]1CCC12CCCC2 ZINC000649657843 1129667748 /nfs/dbraw/zinc/66/77/48/1129667748.db2.gz OPRSTMMTEVMAIM-AATRIKPKSA-N 2 1 274.452 3.580 20 0 CHADMP CC[C@@H](C)[C@@H](C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC001168836176 1129675826 /nfs/dbraw/zinc/67/58/26/1129675826.db2.gz AXJRRBHEAUJXRH-HUUCEWRRSA-N 2 1 262.441 3.615 20 0 CHADMP CC[C@@H](C)[C@H](C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC001168836174 1129676180 /nfs/dbraw/zinc/67/61/80/1129676180.db2.gz AXJRRBHEAUJXRH-CABCVRRESA-N 2 1 262.441 3.615 20 0 CHADMP CCCc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC001205995366 1129681294 /nfs/dbraw/zinc/68/12/94/1129681294.db2.gz NWYXZGVDRLCKAJ-KGLIPLIRSA-N 2 1 280.481 3.507 20 0 CHADMP CCC[N@@H+](CCC[NH3+])[C@@H](Cc1ccccc1)CC(C)C ZINC001169050199 1129692006 /nfs/dbraw/zinc/69/20/06/1129692006.db2.gz NDYRCEVYOWWVOW-GOSISDBHSA-N 2 1 276.468 3.705 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCC(C(C)(C)C)CC1)C2 ZINC001169094908 1129696458 /nfs/dbraw/zinc/69/64/58/1129696458.db2.gz NCJRMJGGGYDEAB-NWJOVSIXSA-N 2 1 278.484 3.806 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3cc(Cl)ccc31)C2 ZINC001169099779 1129697570 /nfs/dbraw/zinc/69/75/70/1129697570.db2.gz VNPROTZOIJTOHE-JYYAWHABSA-N 2 1 290.838 3.542 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1ccccc1)C(C)(C)C)C2 ZINC001169091434 1129700018 /nfs/dbraw/zinc/70/00/18/1129700018.db2.gz QZRFTRJSEVQFEP-FJIDUMEYSA-N 2 1 286.463 3.989 20 0 CHADMP CCC1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC(F)(F)CC1 ZINC001169117158 1129700822 /nfs/dbraw/zinc/70/08/22/1129700822.db2.gz WYFWHXPUKUSXEG-ZSOGYDGISA-N 2 1 286.410 3.559 20 0 CHADMP CCCC[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169138180 1129702508 /nfs/dbraw/zinc/70/25/08/1129702508.db2.gz FZUFFJCVUZZERW-BWTSREIZSA-N 2 1 286.463 3.914 20 0 CHADMP CCCC[NH+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169138180 1129702512 /nfs/dbraw/zinc/70/25/12/1129702512.db2.gz FZUFFJCVUZZERW-BWTSREIZSA-N 2 1 286.463 3.914 20 0 CHADMP CCCC[NH+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169138180 1129702515 /nfs/dbraw/zinc/70/25/15/1129702515.db2.gz FZUFFJCVUZZERW-BWTSREIZSA-N 2 1 286.463 3.914 20 0 CHADMP Cc1cc(Cl)ccc1[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169109108 1129703324 /nfs/dbraw/zinc/70/33/24/1129703324.db2.gz HPRLCLYEWNAAAQ-MIGQKNRLSA-N 2 1 292.854 3.924 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H](c3ccccc3)CC1)C2 ZINC001169144646 1129703962 /nfs/dbraw/zinc/70/39/62/1129703962.db2.gz LIOBXGLKHJMTDK-VNTMZGSJSA-N 2 1 298.474 3.881 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H](c3ccccc3)CC1)C2 ZINC001169144646 1129703966 /nfs/dbraw/zinc/70/39/66/1129703966.db2.gz LIOBXGLKHJMTDK-VNTMZGSJSA-N 2 1 298.474 3.881 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H](c3ccccc3)CC1)C2 ZINC001169144646 1129703970 /nfs/dbraw/zinc/70/39/70/1129703970.db2.gz LIOBXGLKHJMTDK-VNTMZGSJSA-N 2 1 298.474 3.881 20 0 CHADMP CCC[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169141434 1129704674 /nfs/dbraw/zinc/70/46/74/1129704674.db2.gz QKCSNAQMHPENLF-BCDXTJNWSA-N 2 1 272.436 3.524 20 0 CHADMP CCC[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169141434 1129704675 /nfs/dbraw/zinc/70/46/75/1129704675.db2.gz QKCSNAQMHPENLF-BCDXTJNWSA-N 2 1 272.436 3.524 20 0 CHADMP CCC[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169141434 1129704678 /nfs/dbraw/zinc/70/46/78/1129704678.db2.gz QKCSNAQMHPENLF-BCDXTJNWSA-N 2 1 272.436 3.524 20 0 CHADMP CC[N@@H+](Cc1cccc(Cl)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153232 1129705610 /nfs/dbraw/zinc/70/56/10/1129705610.db2.gz HWLIIWHVUVYXPL-BJWYYQGGSA-N 2 1 292.854 3.787 20 0 CHADMP CC[NH+](Cc1cccc(Cl)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169153232 1129705612 /nfs/dbraw/zinc/70/56/12/1129705612.db2.gz HWLIIWHVUVYXPL-BJWYYQGGSA-N 2 1 292.854 3.787 20 0 CHADMP CC[NH+](Cc1cccc(Cl)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169153232 1129705615 /nfs/dbraw/zinc/70/56/15/1129705615.db2.gz HWLIIWHVUVYXPL-BJWYYQGGSA-N 2 1 292.854 3.787 20 0 CHADMP C[N@@H+](Cc1ccc2ccccc2c1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169155516 1129706130 /nfs/dbraw/zinc/70/61/30/1129706130.db2.gz QCSLBGCDUXRVKX-ACDBMABISA-N 2 1 294.442 3.897 20 0 CHADMP C[NH+](Cc1ccc2ccccc2c1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169155516 1129706132 /nfs/dbraw/zinc/70/61/32/1129706132.db2.gz QCSLBGCDUXRVKX-ACDBMABISA-N 2 1 294.442 3.897 20 0 CHADMP C[NH+](Cc1ccc2ccccc2c1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169155516 1129706134 /nfs/dbraw/zinc/70/61/34/1129706134.db2.gz QCSLBGCDUXRVKX-ACDBMABISA-N 2 1 294.442 3.897 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2c2ccccc2)CC1 ZINC001169233878 1129711237 /nfs/dbraw/zinc/71/12/37/1129711237.db2.gz XMWKEADJJURNQR-HNJRGHQBSA-N 2 1 298.474 3.643 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)cc2C)CC1 ZINC001169238596 1129712098 /nfs/dbraw/zinc/71/20/98/1129712098.db2.gz JGOVBHWYMQYPJL-CYBMUJFWSA-N 2 1 280.843 3.783 20 0 CHADMP CCC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1cccc(C)c1 ZINC001169241151 1129712312 /nfs/dbraw/zinc/71/23/12/1129712312.db2.gz INZIBDXBBSQICB-GOSISDBHSA-N 2 1 274.452 3.910 20 0 CHADMP CC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccccc1F ZINC000650754550 1129721518 /nfs/dbraw/zinc/72/15/18/1129721518.db2.gz LMTKSTFBBAVOOC-KRWDZBQOSA-N 2 1 290.357 3.664 20 0 CHADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1csc(Cl)c1 ZINC000650754052 1129722226 /nfs/dbraw/zinc/72/22/26/1129722226.db2.gz AAGSNLQWTOSIAD-VIFPVBQESA-N 2 1 298.814 3.850 20 0 CHADMP CC[C@@H](C)C[C@@H](CC)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001258779863 1129726273 /nfs/dbraw/zinc/72/62/73/1129726273.db2.gz HYQIQRHDRQVNMF-WCVJEAGWSA-N 2 1 254.462 3.664 20 0 CHADMP c1cc2c(c(C[NH+]3CCC([NH+]4CCCCC4)CC3)c1)CCC2 ZINC000651611721 1129742741 /nfs/dbraw/zinc/74/27/41/1129742741.db2.gz IZKZWMZLMWPHLB-UHFFFAOYSA-N 2 1 298.474 3.626 20 0 CHADMP Cc1c(C)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)ccc1Cl ZINC001206025580 1129765613 /nfs/dbraw/zinc/76/56/13/1129765613.db2.gz OEXJEWWWIHQEKE-IUODEOHRSA-N 2 1 294.870 3.764 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206025687 1129766758 /nfs/dbraw/zinc/76/67/58/1129766758.db2.gz PAWFAPDDRMYLTQ-HUUCEWRRSA-N 2 1 294.870 3.764 20 0 CHADMP Cc1cc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)c(C)o1 ZINC000767348200 1129787654 /nfs/dbraw/zinc/78/76/54/1129787654.db2.gz YUUCXFHIVAXSBD-UHFFFAOYSA-N 2 1 278.440 3.641 20 0 CHADMP Cc1cc(C[NH2+]CCC[N@H+](C)C2CCCCC2)c(C)o1 ZINC000767348200 1129787655 /nfs/dbraw/zinc/78/76/55/1129787655.db2.gz YUUCXFHIVAXSBD-UHFFFAOYSA-N 2 1 278.440 3.641 20 0 CHADMP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001461101603 1129904125 /nfs/dbraw/zinc/90/41/25/1129904125.db2.gz VCXKJWIPHDGIIT-OWCLPIDISA-N 2 1 280.500 3.911 20 0 CHADMP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001461101603 1129904128 /nfs/dbraw/zinc/90/41/28/1129904128.db2.gz VCXKJWIPHDGIIT-OWCLPIDISA-N 2 1 280.500 3.911 20 0 CHADMP CC[C@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903066898 1130107546 /nfs/dbraw/zinc/10/75/46/1130107546.db2.gz MLLGUYSPPGMTSI-HJYMDDGLSA-N 2 1 276.468 3.703 20 0 CHADMP C[C@H]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903076214 1130108553 /nfs/dbraw/zinc/10/85/53/1130108553.db2.gz LNNLKUNMZLGVIV-WNJABXAVSA-N 2 1 276.468 3.560 20 0 CHADMP CC[C@@H](C)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903117989 1130115560 /nfs/dbraw/zinc/11/55/60/1130115560.db2.gz CNPBODJJOITTRD-VGWXVEKNSA-N 2 1 264.457 3.559 20 0 CHADMP Cc1cccc2c1CC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903115354 1130115597 /nfs/dbraw/zinc/11/55/97/1130115597.db2.gz CKRDFNWWNZIRQN-DISYBOHSSA-N 2 1 296.458 3.730 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)CC2 ZINC000903121270 1130115793 /nfs/dbraw/zinc/11/57/93/1130115793.db2.gz UDOCNEPWKGAXJZ-IVZBYUQCSA-N 2 1 296.458 3.730 20 0 CHADMP CC(C)=CCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903177753 1130124849 /nfs/dbraw/zinc/12/48/49/1130124849.db2.gz AZBJUOSGVPGNGJ-UNPWZGGWSA-N 2 1 276.468 3.869 20 0 CHADMP CC[C@H]1CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903179046 1130124983 /nfs/dbraw/zinc/12/49/83/1130124983.db2.gz LRSWANPHSQTBIR-WNJABXAVSA-N 2 1 276.468 3.560 20 0 CHADMP C[NH+]1CCC(C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)CC1 ZINC000788478372 1130189344 /nfs/dbraw/zinc/18/93/44/1130189344.db2.gz IJYFKSOOXYOQKH-UHFFFAOYSA-N 2 1 292.854 3.646 20 0 CHADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000788484560 1130190528 /nfs/dbraw/zinc/19/05/28/1130190528.db2.gz ZKLYNKRENHGFGI-LJQANCHMSA-N 2 1 286.463 3.598 20 0 CHADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CCCc2ccsc2)CCC1 ZINC000903811277 1130201082 /nfs/dbraw/zinc/20/10/82/1130201082.db2.gz KSKSUKXTOJPURJ-INIZCTEOSA-N 2 1 292.492 3.664 20 0 CHADMP C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903878387 1130206786 /nfs/dbraw/zinc/20/67/86/1130206786.db2.gz HZQYFQCTUOYNIJ-ZBSSRIJBSA-N 2 1 298.430 3.956 20 0 CHADMP CC[N@H+](Cc1ccc(Cl)s1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903876287 1130207302 /nfs/dbraw/zinc/20/73/02/1130207302.db2.gz GRMQZQUPFMZCFY-YHWZYXNKSA-N 2 1 298.883 3.754 20 0 CHADMP CC1=CC[C@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000788812830 1130210209 /nfs/dbraw/zinc/21/02/09/1130210209.db2.gz FWUIQOZLARTBBI-VQTJNVASSA-N 2 1 298.474 3.987 20 0 CHADMP CCc1ccc([C@@H](CC)[NH2+][C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254513637 1130258428 /nfs/dbraw/zinc/25/84/28/1130258428.db2.gz DXZFBSZLLSGKST-QZTJIDSGSA-N 2 1 274.452 3.774 20 0 CHADMP CC[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1CCC[NH+](C)CC1 ZINC001254525654 1130262269 /nfs/dbraw/zinc/26/22/69/1130262269.db2.gz KKDZNOVDGYPKAO-MRXNPFEDSA-N 2 1 280.843 3.646 20 0 CHADMP CC[NH+](Cc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254525654 1130262273 /nfs/dbraw/zinc/26/22/73/1130262273.db2.gz KKDZNOVDGYPKAO-MRXNPFEDSA-N 2 1 280.843 3.646 20 0 CHADMP CC[NH+](Cc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254525654 1130262278 /nfs/dbraw/zinc/26/22/78/1130262278.db2.gz KKDZNOVDGYPKAO-MRXNPFEDSA-N 2 1 280.843 3.646 20 0 CHADMP Cc1cc(F)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1Cl ZINC001206037402 1130275393 /nfs/dbraw/zinc/27/53/93/1130275393.db2.gz VJWVJCDEESXHOF-QWHCGFSZSA-N 2 1 298.833 3.594 20 0 CHADMP CC(C)(C)[NH2+]Cc1ccc(-c2ccc3[nH]c(N)[nH+]c3c2)cc1 ZINC001240373639 1130282938 /nfs/dbraw/zinc/28/29/38/1130282938.db2.gz NEGBDGXHXNGNBS-UHFFFAOYSA-N 2 1 294.402 3.700 20 0 CHADMP C[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3ccccc3Cl)CC2)C1 ZINC001170122991 1130283483 /nfs/dbraw/zinc/28/34/83/1130283483.db2.gz RJMWZHRXXKCZQM-ZIAGYGMSSA-N 2 1 292.854 3.778 20 0 CHADMP C[NH2+]Cc1ccc(C2=CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001240387124 1130287385 /nfs/dbraw/zinc/28/73/85/1130287385.db2.gz NEIRKCYEISUHPL-UHFFFAOYSA-N 2 1 292.426 3.695 20 0 CHADMP C(CCC1CCCC1)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677242083 1130297484 /nfs/dbraw/zinc/29/74/84/1130297484.db2.gz XDVGWFWWTPNCGY-SJORKVTESA-N 2 1 264.457 3.563 20 0 CHADMP CCCCC1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000677237667 1130297741 /nfs/dbraw/zinc/29/77/41/1130297741.db2.gz NCMWWFZFPFWNGI-HIEASXQVSA-N 2 1 278.484 3.952 20 0 CHADMP C[N@H+]1CCCC[C@@H]1c1ccc(-c2ccn3ccnc3c2)nc1 ZINC001240503641 1130332444 /nfs/dbraw/zinc/33/24/44/1130332444.db2.gz QDIVDPSSBVDVJZ-QGZVFWFLSA-N 2 1 292.386 3.553 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2C2CC2)[C@@H](C)C1 ZINC000678277434 1130387771 /nfs/dbraw/zinc/38/77/71/1130387771.db2.gz JHNNTKUKKZQPPB-KXBFYZLASA-N 2 1 286.463 3.726 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2C2CC2)C[C@H]1C ZINC000678276396 1130389188 /nfs/dbraw/zinc/38/91/88/1130389188.db2.gz HOHWEQGQBLSVDH-CRAIPNDOSA-N 2 1 286.463 3.869 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2C2CC2)C[C@H]1C ZINC000678276396 1130389194 /nfs/dbraw/zinc/38/91/94/1130389194.db2.gz HOHWEQGQBLSVDH-CRAIPNDOSA-N 2 1 286.463 3.869 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2C2CC2)C[C@H]1C ZINC000678276396 1130389198 /nfs/dbraw/zinc/38/91/98/1130389198.db2.gz HOHWEQGQBLSVDH-CRAIPNDOSA-N 2 1 286.463 3.869 20 0 CHADMP CC[NH+]1CCC([N@H+](C)[C@@H](C)Cc2ccccc2Cl)CC1 ZINC001170281304 1130477861 /nfs/dbraw/zinc/47/78/61/1130477861.db2.gz CWXWANYIYZUBCR-AWEZNQCLSA-N 2 1 294.870 3.687 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)[C@@H](C)Cc2ccccc2Cl)CC1 ZINC001170281304 1130477865 /nfs/dbraw/zinc/47/78/65/1130477865.db2.gz CWXWANYIYZUBCR-AWEZNQCLSA-N 2 1 294.870 3.687 20 0 CHADMP CC(C)[N@@H+](CCCCc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC001206579973 1130490991 /nfs/dbraw/zinc/49/09/91/1130490991.db2.gz BPXLWCMVMPTLNO-LJQANCHMSA-N 2 1 288.479 3.862 20 0 CHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(C=C2CC[NH2+]CC2)nc1 ZINC001240874918 1130498623 /nfs/dbraw/zinc/49/86/23/1130498623.db2.gz FQRSITHRGUWSLW-LJQANCHMSA-N 2 1 299.462 3.785 20 0 CHADMP CCC(CC)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000679738935 1130553689 /nfs/dbraw/zinc/55/36/89/1130553689.db2.gz GVHQFAIWSVLKPB-HOCLYGCPSA-N 2 1 266.473 3.665 20 0 CHADMP CCC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000679992567 1130568183 /nfs/dbraw/zinc/56/81/83/1130568183.db2.gz JSGDULVBUJPTCI-OAHLLOKOSA-N 2 1 292.442 3.611 20 0 CHADMP c1cc(C2CCCCC2)ccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235036272 1130705723 /nfs/dbraw/zinc/70/57/23/1130705723.db2.gz KJWFUYZUDSTYPU-FQEVSTJZSA-N 2 1 298.474 3.920 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235093112 1130710435 /nfs/dbraw/zinc/71/04/35/1130710435.db2.gz PBGQKGPXNPBGQC-ARJAWSKDSA-N 2 1 264.457 3.589 20 0 CHADMP CC(C)(C)c1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001235094495 1130710696 /nfs/dbraw/zinc/71/06/96/1130710696.db2.gz XZSIDIAJMKXLQU-UHFFFAOYSA-N 2 1 286.463 3.560 20 0 CHADMP c1ccc(-c2ccccc2C[N@@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001235110345 1130711272 /nfs/dbraw/zinc/71/12/72/1130711272.db2.gz KWDRHDDZGGKROS-FQEVSTJZSA-N 2 1 292.426 3.682 20 0 CHADMP c1ccc(-c2ccccc2C[N@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001235110345 1130711276 /nfs/dbraw/zinc/71/12/76/1130711276.db2.gz KWDRHDDZGGKROS-FQEVSTJZSA-N 2 1 292.426 3.682 20 0 CHADMP CC/C=C\CCCCCC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235109315 1130712407 /nfs/dbraw/zinc/71/24/07/1130712407.db2.gz AVRGWXVQGRFJLH-CWIOURORSA-N 2 1 264.457 3.731 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235109315 1130712411 /nfs/dbraw/zinc/71/24/11/1130712411.db2.gz AVRGWXVQGRFJLH-CWIOURORSA-N 2 1 264.457 3.731 20 0 CHADMP C(C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1)C1CCCCC1 ZINC001235151584 1130715168 /nfs/dbraw/zinc/71/51/68/1130715168.db2.gz IBZDDDHGSZOBPO-GOSISDBHSA-N 2 1 278.484 3.811 20 0 CHADMP CC/C=C\CCC[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235155998 1130715863 /nfs/dbraw/zinc/71/58/63/1130715863.db2.gz ZGTILDZLVJUAOW-CWIOURORSA-N 2 1 264.457 3.587 20 0 CHADMP Clc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)s1 ZINC001235153348 1130716517 /nfs/dbraw/zinc/71/65/17/1130716517.db2.gz JQZSYNLASRRVGL-CQSZACIVSA-N 2 1 298.883 3.756 20 0 CHADMP CCc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)s1 ZINC001235161469 1130716793 /nfs/dbraw/zinc/71/67/93/1130716793.db2.gz RUICBVMDCRZFJF-KRWDZBQOSA-N 2 1 292.492 3.665 20 0 CHADMP c1ccc(CCCC[N@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1 ZINC001235172991 1130717375 /nfs/dbraw/zinc/71/73/75/1130717375.db2.gz OLZIVGYHHYIDCG-IBGZPJMESA-N 2 1 286.463 3.617 20 0 CHADMP Cc1cc(C)c(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)cc1C ZINC001235179537 1130719256 /nfs/dbraw/zinc/71/92/56/1130719256.db2.gz QYHWOVOCJGSNMN-LJQANCHMSA-N 2 1 286.463 3.720 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)cc1C ZINC001235179537 1130719260 /nfs/dbraw/zinc/71/92/60/1130719260.db2.gz QYHWOVOCJGSNMN-LJQANCHMSA-N 2 1 286.463 3.720 20 0 CHADMP CC(C)c1ccccc1C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235189382 1130720730 /nfs/dbraw/zinc/72/07/30/1130720730.db2.gz KAUHLERGOPNIMZ-UHFFFAOYSA-N 2 1 286.463 3.918 20 0 CHADMP CCC[C@H](C)C[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235247946 1130727840 /nfs/dbraw/zinc/72/78/40/1130727840.db2.gz ITEOJLNAFITPRF-QXAKKESOSA-N 2 1 286.463 3.644 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC001235275489 1130731532 /nfs/dbraw/zinc/73/15/32/1130731532.db2.gz WXEUSIZMKWBGRY-SJLPKXTDSA-N 2 1 286.463 3.558 20 0 CHADMP CC1(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CCCCC1 ZINC001235423464 1130741262 /nfs/dbraw/zinc/74/12/62/1130741262.db2.gz GQZYRXWYWKPXAF-SJORKVTESA-N 2 1 278.484 3.668 20 0 CHADMP Clc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235426125 1130741691 /nfs/dbraw/zinc/74/16/91/1130741691.db2.gz NIYZEOKAAZASJE-HZPDHXFCSA-N 2 1 292.854 3.552 20 0 CHADMP CCCCCCc1ccc(C[N@@H+](C)CCC[NH3+])s1 ZINC001235446232 1130746024 /nfs/dbraw/zinc/74/60/24/1130746024.db2.gz WYNQBQQHGADYMG-UHFFFAOYSA-N 2 1 268.470 3.652 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(C)cc(Cl)c1 ZINC001235537113 1130754820 /nfs/dbraw/zinc/75/48/20/1130754820.db2.gz HQBMEZHTRAHERU-UHFFFAOYSA-N 2 1 282.859 3.812 20 0 CHADMP C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000782183619 1130758078 /nfs/dbraw/zinc/75/80/78/1130758078.db2.gz NUDMZLHPRPWRSE-CQSZACIVSA-N 2 1 286.419 3.767 20 0 CHADMP c1ccc([C@H]2CCC[N@H+](Cc3ccc4c(c3)C[NH2+]C4)C2)cc1 ZINC001235663366 1130761979 /nfs/dbraw/zinc/76/19/79/1130761979.db2.gz GYJOOGKVAIRZDM-IBGZPJMESA-N 2 1 292.426 3.669 20 0 CHADMP CCCC[N@@H+](CCC)CCC[NH2+]C1CCCCC1 ZINC001235662011 1130762612 /nfs/dbraw/zinc/76/26/12/1130762612.db2.gz CJRQRSQCZGZGLL-UHFFFAOYSA-N 2 1 254.462 3.811 20 0 CHADMP CCCC[N@@H+](CC[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC001235663559 1130762890 /nfs/dbraw/zinc/76/28/90/1130762890.db2.gz JABDVPAHDGJZFI-GOSISDBHSA-N 2 1 274.452 3.821 20 0 CHADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@H](c3ccccc3)C2)cc1 ZINC001235665658 1130764864 /nfs/dbraw/zinc/76/48/64/1130764864.db2.gz PTFQRCNBLHOOOP-IBGZPJMESA-N 2 1 280.415 3.525 20 0 CHADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(-c3ccccc3)c2)C1 ZINC001235676507 1130765417 /nfs/dbraw/zinc/76/54/17/1130765417.db2.gz RRIZWVKEBKTMGJ-INIZCTEOSA-N 2 1 298.405 3.663 20 0 CHADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2sc(Cl)c3ccccc32)C1 ZINC001235675115 1130766518 /nfs/dbraw/zinc/76/65/18/1130766518.db2.gz IXCOUMGQIQZOSL-NSHDSACASA-N 2 1 294.851 3.725 20 0 CHADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2sc(Cl)c3ccccc32)C1 ZINC001235675115 1130766522 /nfs/dbraw/zinc/76/65/22/1130766522.db2.gz IXCOUMGQIQZOSL-NSHDSACASA-N 2 1 294.851 3.725 20 0 CHADMP Fc1ccccc1[C@H]1CCCC[N@@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC001235679033 1130768213 /nfs/dbraw/zinc/76/82/13/1130768213.db2.gz ODISUUZTWKEQHH-MAUKXSAKSA-N 2 1 290.426 3.885 20 0 CHADMP Fc1ccccc1[C@H]1CCCC[N@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC001235679033 1130768218 /nfs/dbraw/zinc/76/82/18/1130768218.db2.gz ODISUUZTWKEQHH-MAUKXSAKSA-N 2 1 290.426 3.885 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CCCC[C@H]1c1ccccc1F ZINC001235678210 1130768763 /nfs/dbraw/zinc/76/87/63/1130768763.db2.gz KYARWMWVCXWDAY-KRWDZBQOSA-N 2 1 278.415 3.872 20 0 CHADMP Clc1ccccc1[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001235694077 1130770374 /nfs/dbraw/zinc/77/03/74/1130770374.db2.gz LBMCECMSGAJSEB-WMLDXEAASA-N 2 1 292.854 3.867 20 0 CHADMP CC[C@@H]([NH3+])C[NH+]1CCC(c2ccc3ccccc3c2)CC1 ZINC001235714125 1130771405 /nfs/dbraw/zinc/77/14/05/1130771405.db2.gz HEOYEFOGQDFXPA-LJQANCHMSA-N 2 1 282.431 3.757 20 0 CHADMP [NH3+]Cc1cccc(C[N@H+]2CCC[C@H]2c2ccccc2F)c1 ZINC001235718050 1130771451 /nfs/dbraw/zinc/77/14/51/1130771451.db2.gz BAGVGZJJUQVQQK-SFHVURJKSA-N 2 1 284.378 3.622 20 0 CHADMP CC[N@@H+](Cc1c(C)ccc2ccccc21)C1CC[NH2+]CC1 ZINC001235762950 1130778022 /nfs/dbraw/zinc/77/80/22/1130778022.db2.gz XCQLBWLKXIQEFT-UHFFFAOYSA-N 2 1 282.431 3.722 20 0 CHADMP CC1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000813789584 1130784471 /nfs/dbraw/zinc/78/44/71/1130784471.db2.gz UUURQHVPLUREPG-YQQQUEKLSA-N 2 1 298.474 3.962 20 0 CHADMP CC(C)c1ccc(C[C@H](C)C[N@@H+](C)C[C@H]2CC[NH2+]C2)cc1 ZINC001235840888 1130786551 /nfs/dbraw/zinc/78/65/51/1130786551.db2.gz CJAJUROISJASNJ-WMZOPIPTSA-N 2 1 288.479 3.530 20 0 CHADMP C[N@@H+](Cc1ccccc1Oc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC001235842644 1130787467 /nfs/dbraw/zinc/78/74/67/1130787467.db2.gz QNVAWRXKMPJQAN-MRXNPFEDSA-N 2 1 296.414 3.520 20 0 CHADMP C[N@H+](Cc1ccccc1Oc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC001235842644 1130787473 /nfs/dbraw/zinc/78/74/73/1130787473.db2.gz QNVAWRXKMPJQAN-MRXNPFEDSA-N 2 1 296.414 3.520 20 0 CHADMP CC1CC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000813881227 1130793149 /nfs/dbraw/zinc/79/31/49/1130793149.db2.gz MKSYAHQRAYAVQL-ZHNYMBGRSA-N 2 1 298.474 3.960 20 0 CHADMP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC001235892472 1130795055 /nfs/dbraw/zinc/79/50/55/1130795055.db2.gz RITUMEBVEZIIJZ-DNVCBOLYSA-N 2 1 280.415 3.665 20 0 CHADMP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC001235892472 1130795061 /nfs/dbraw/zinc/79/50/61/1130795061.db2.gz RITUMEBVEZIIJZ-DNVCBOLYSA-N 2 1 280.415 3.665 20 0 CHADMP CC/C=C\CCCCC[N@@H+](CCCOC)C1CC[NH2+]CC1 ZINC001235936502 1130811200 /nfs/dbraw/zinc/81/12/00/1130811200.db2.gz CKHNRFHTQFPEER-PLNGDYQASA-N 2 1 296.499 3.604 20 0 CHADMP C[N@@H+](CCCC[NH3+])Cc1ccc(Oc2ccccc2)cc1 ZINC001235950021 1130813992 /nfs/dbraw/zinc/81/39/92/1130813992.db2.gz MWCKBZVDAMPNGV-UHFFFAOYSA-N 2 1 284.403 3.650 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235990275 1130824328 /nfs/dbraw/zinc/82/43/28/1130824328.db2.gz MGWPPNXKLRSLAM-YLJYHZDGSA-N 2 1 292.426 3.585 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235990275 1130824334 /nfs/dbraw/zinc/82/43/34/1130824334.db2.gz MGWPPNXKLRSLAM-YLJYHZDGSA-N 2 1 292.426 3.585 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@@H]4CC[C@]4([NH3+])C3)cc2)cc1 ZINC001235995462 1130825080 /nfs/dbraw/zinc/82/50/80/1130825080.db2.gz VYRWCVVVYZONEA-PMACEKPBSA-N 2 1 292.426 3.585 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[C@]4([NH3+])C3)cc2)cc1 ZINC001235995462 1130825087 /nfs/dbraw/zinc/82/50/87/1130825087.db2.gz VYRWCVVVYZONEA-PMACEKPBSA-N 2 1 292.426 3.585 20 0 CHADMP C[C@H]1C[C@H]([NH3+])C[N@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001236049834 1130838505 /nfs/dbraw/zinc/83/85/05/1130838505.db2.gz QTOHLGXVSGFILB-KSSFIOAISA-N 2 1 298.405 3.662 20 0 CHADMP C[C@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001236049834 1130838511 /nfs/dbraw/zinc/83/85/11/1130838511.db2.gz QTOHLGXVSGFILB-KSSFIOAISA-N 2 1 298.405 3.662 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@H]([NH3+])C[C@H](C)C3)cc2)cc1 ZINC001236051329 1130840582 /nfs/dbraw/zinc/84/05/82/1130840582.db2.gz VZUKHFNAKYPSGI-OXJNMPFZSA-N 2 1 294.442 3.831 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H]([NH3+])C[C@H](C)C3)cc2)cc1 ZINC001236051329 1130840588 /nfs/dbraw/zinc/84/05/88/1130840588.db2.gz VZUKHFNAKYPSGI-OXJNMPFZSA-N 2 1 294.442 3.831 20 0 CHADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(Oc3ccccc3)cc2)C1 ZINC001236066312 1130846031 /nfs/dbraw/zinc/84/60/31/1130846031.db2.gz HFJNVFAHYCWISG-QGZVFWFLSA-N 2 1 296.414 3.520 20 0 CHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)cc2)C1 ZINC001236066312 1130846036 /nfs/dbraw/zinc/84/60/36/1130846036.db2.gz HFJNVFAHYCWISG-QGZVFWFLSA-N 2 1 296.414 3.520 20 0 CHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(C3CCCCC3)cc2)C1 ZINC001236068436 1130846704 /nfs/dbraw/zinc/84/67/04/1130846704.db2.gz SRAYVMGXZFUFDA-QGZVFWFLSA-N 2 1 286.463 3.776 20 0 CHADMP Cc1cccc(-c2ccc(C[N@@H+]3CCC[NH2+][C@@H](C)C3)cc2)c1 ZINC001236101094 1130861931 /nfs/dbraw/zinc/86/19/31/1130861931.db2.gz UEWSNFMAJYSJHW-KRWDZBQOSA-N 2 1 294.442 3.846 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3CCC[NH2+][C@@H](C)C3)cc2)c1 ZINC001236101094 1130861934 /nfs/dbraw/zinc/86/19/34/1130861934.db2.gz UEWSNFMAJYSJHW-KRWDZBQOSA-N 2 1 294.442 3.846 20 0 CHADMP C[C@H](CC[N@@H+](C)[C@H]1CC[C@H]([NH3+])CC1)CC(C)(C)C ZINC001236223172 1130896710 /nfs/dbraw/zinc/89/67/10/1130896710.db2.gz NQDKVMZPDMQZTG-RBSFLKMASA-N 2 1 254.462 3.651 20 0 CHADMP C[N@@H+](CCCC[NH3+])Cc1ccc2oc3ccccc3c2c1 ZINC001236142219 1130874075 /nfs/dbraw/zinc/87/40/75/1130874075.db2.gz STHPSYTUNFEEOA-UHFFFAOYSA-N 2 1 282.387 3.757 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+](C)CCCC[NH3+] ZINC001236141526 1130874433 /nfs/dbraw/zinc/87/44/33/1130874433.db2.gz HRRIFTNODLBNBC-UHFFFAOYSA-N 2 1 282.431 3.833 20 0 CHADMP FC1(C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)CC[NH2+]CC1 ZINC001236151707 1130875623 /nfs/dbraw/zinc/87/56/23/1130875623.db2.gz GZZPJFVDRXOSFQ-OAHLLOKOSA-N 2 1 296.817 3.569 20 0 CHADMP C[N@@H+](Cc1ccc2ccccc2c1)CC1(C)CC[NH2+]CC1 ZINC001236183052 1130882418 /nfs/dbraw/zinc/88/24/18/1130882418.db2.gz CJYBDDYYHPJXHY-UHFFFAOYSA-N 2 1 282.431 3.661 20 0 CHADMP c1[nH]c2ccccc2c1[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001236191093 1130882903 /nfs/dbraw/zinc/88/29/03/1130882903.db2.gz KEHJJUAWNMXUHN-KXBFYZLASA-N 2 1 297.446 3.695 20 0 CHADMP [NH3+]C12CC(CC[N@H+]3CCC[C@@H]3c3c[nH]c4ccccc34)(C1)C2 ZINC001236190778 1130883336 /nfs/dbraw/zinc/88/33/36/1130883336.db2.gz XTWRIRWLAXPXIZ-LMDPOFIKSA-N 2 1 295.430 3.576 20 0 CHADMP Cc1ccc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)c2ccccc12 ZINC001236205618 1130886232 /nfs/dbraw/zinc/88/62/32/1130886232.db2.gz FUDVLCAOJFLFMP-LJQANCHMSA-N 2 1 282.431 3.722 20 0 CHADMP Cc1ccc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)c2ccccc12 ZINC001236205618 1130886239 /nfs/dbraw/zinc/88/62/39/1130886239.db2.gz FUDVLCAOJFLFMP-LJQANCHMSA-N 2 1 282.431 3.722 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215708 1130890116 /nfs/dbraw/zinc/89/01/16/1130890116.db2.gz IGGZLRDHXITWJE-MOPGFXCFSA-N 2 1 282.431 3.850 20 0 CHADMP CC(C)Cc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236218030 1130892972 /nfs/dbraw/zinc/89/29/72/1130892972.db2.gz RANWRIJYTBYGOH-ROUUACIJSA-N 2 1 274.452 3.587 20 0 CHADMP CC(C)Cc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236218030 1130892975 /nfs/dbraw/zinc/89/29/75/1130892975.db2.gz RANWRIJYTBYGOH-ROUUACIJSA-N 2 1 274.452 3.587 20 0 CHADMP C[N@@H+](Cc1cccc2c(F)cccc12)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236218350 1130893237 /nfs/dbraw/zinc/89/32/37/1130893237.db2.gz SHTUYXNBXWJWJZ-ROUUACIJSA-N 2 1 286.394 3.681 20 0 CHADMP CC(C)c1ccccc1C[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219143 1130893644 /nfs/dbraw/zinc/89/36/44/1130893644.db2.gz VCKDPIIMHRAOEP-DLBZAZTESA-N 2 1 260.425 3.512 20 0 CHADMP CC(C)c1ccccc1C[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219143 1130893647 /nfs/dbraw/zinc/89/36/47/1130893647.db2.gz VCKDPIIMHRAOEP-DLBZAZTESA-N 2 1 260.425 3.512 20 0 CHADMP C[N@@H+](CCC(C)(C)c1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236224634 1130896321 /nfs/dbraw/zinc/89/63/21/1130896321.db2.gz VZIWPRHXHMLHJQ-QAQDUYKDSA-N 2 1 274.452 3.556 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+](C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236222941 1130897887 /nfs/dbraw/zinc/89/78/87/1130897887.db2.gz KFVXOGZXIRETJC-HDJSIYSDSA-N 2 1 288.460 3.911 20 0 CHADMP CC[N@@H+](CCCCCC[NH3+])Cc1ccc(C)c(C)c1 ZINC001236240095 1130901574 /nfs/dbraw/zinc/90/15/74/1130901574.db2.gz ITKPAPZTMHBNIJ-UHFFFAOYSA-N 2 1 262.441 3.644 20 0 CHADMP CCC[N@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)CC(C)C ZINC001236264387 1130908853 /nfs/dbraw/zinc/90/88/53/1130908853.db2.gz QOLMOCNEDVZZLL-UHFFFAOYSA-N 2 1 299.462 3.613 20 0 CHADMP CC(C)(C)CC[N@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236271255 1130910133 /nfs/dbraw/zinc/91/01/33/1130910133.db2.gz ZUTARCJUHHYCDE-KRWDZBQOSA-N 2 1 274.452 3.677 20 0 CHADMP CC(C)(C)CC[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236271255 1130910137 /nfs/dbraw/zinc/91/01/37/1130910137.db2.gz ZUTARCJUHHYCDE-KRWDZBQOSA-N 2 1 274.452 3.677 20 0 CHADMP CC(C)CCC[N@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236367978 1130921430 /nfs/dbraw/zinc/92/14/30/1130921430.db2.gz RBHMEBANBLEMKY-UHFFFAOYSA-N 2 1 292.442 3.816 20 0 CHADMP CC(C)CCC[N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236367978 1130921435 /nfs/dbraw/zinc/92/14/35/1130921435.db2.gz RBHMEBANBLEMKY-UHFFFAOYSA-N 2 1 292.442 3.816 20 0 CHADMP CC(C)=CCCC1=CC[C@@H](C[N@H+]2CC[C@](F)(C[NH3+])C2)CC1 ZINC001236433766 1130941107 /nfs/dbraw/zinc/94/11/07/1130941107.db2.gz IKTXJMDWUYMVND-MSOLQXFVSA-N 2 1 294.458 3.832 20 0 CHADMP CC[C@H](C)C[N@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001236451774 1130945719 /nfs/dbraw/zinc/94/57/19/1130945719.db2.gz VBFQPUGPCMFBPT-AWEZNQCLSA-N 2 1 294.870 3.940 20 0 CHADMP CC[C@H](C)C[N@@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001236451774 1130945722 /nfs/dbraw/zinc/94/57/22/1130945722.db2.gz VBFQPUGPCMFBPT-AWEZNQCLSA-N 2 1 294.870 3.940 20 0 CHADMP Cc1ccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)cc1 ZINC001236458032 1130946648 /nfs/dbraw/zinc/94/66/48/1130946648.db2.gz PRHORGINKBBPMZ-UHFFFAOYSA-N 2 1 274.452 3.595 20 0 CHADMP CC(C)(C)C[N@@H+](Cc1cc2ccccc2[nH]1)C1CC[NH2+]CC1 ZINC001236457440 1130946851 /nfs/dbraw/zinc/94/68/51/1130946851.db2.gz KRHATWUVPQSHIO-UHFFFAOYSA-N 2 1 299.462 3.768 20 0 CHADMP Cc1cccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236457520 1130947299 /nfs/dbraw/zinc/94/72/99/1130947299.db2.gz MOJCHRFNCWUISL-UHFFFAOYSA-N 2 1 274.452 3.595 20 0 CHADMP CC(C)[N@H+](Cc1ccc2ccccc2c1)[C@@H]1CCC[NH2+]C1 ZINC001236468594 1130949174 /nfs/dbraw/zinc/94/91/74/1130949174.db2.gz KGYRREIWUJIGKM-LJQANCHMSA-N 2 1 282.431 3.802 20 0 CHADMP CC(C)[N@@H+](Cc1ccc2ccccc2c1)[C@@H]1CCC[NH2+]C1 ZINC001236468594 1130949176 /nfs/dbraw/zinc/94/91/76/1130949176.db2.gz KGYRREIWUJIGKM-LJQANCHMSA-N 2 1 282.431 3.802 20 0 CHADMP Cc1csc(C[N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236542187 1130969100 /nfs/dbraw/zinc/96/91/00/1130969100.db2.gz OZJXKLJFKXOOQD-WKILWMFISA-N 2 1 292.492 3.929 20 0 CHADMP CC(C)C[N@@H+](Cc1ccc(Cl)o1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550313 1130973325 /nfs/dbraw/zinc/97/33/25/1130973325.db2.gz CJORDSRPIWPYAH-JOCQHMNTSA-N 2 1 284.831 3.661 20 0 CHADMP CC(C)C[N@@H+](Cc1ccc2cc[nH]c2c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236549734 1130973412 /nfs/dbraw/zinc/97/34/12/1130973412.db2.gz AHNGSOFXKANILW-IYARVYRRSA-N 2 1 299.462 3.896 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccc(Cl)c2)CC2CC2)CC1 ZINC001236551757 1130973820 /nfs/dbraw/zinc/97/38/20/1130973820.db2.gz MXXDSJWKBFRVQV-QAQDUYKDSA-N 2 1 292.854 3.822 20 0 CHADMP Cc1cc(C[N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)oc1C ZINC001236549791 1130973914 /nfs/dbraw/zinc/97/39/14/1130973914.db2.gz CLFMYYHBAHMQMV-WKILWMFISA-N 2 1 278.440 3.624 20 0 CHADMP Cc1cccc(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c1C ZINC001236552196 1130973972 /nfs/dbraw/zinc/97/39/72/1130973972.db2.gz OLZCMPCDDJATKE-WGSAOQKQSA-N 2 1 286.463 3.785 20 0 CHADMP Cc1cc(C[N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)oc1C ZINC001236567673 1130976473 /nfs/dbraw/zinc/97/64/73/1130976473.db2.gz YVRYLYQRDJMOQB-JCNLHEQBSA-N 2 1 290.451 3.911 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2CCCC2)CC1 ZINC001236566811 1130976520 /nfs/dbraw/zinc/97/65/20/1130976520.db2.gz MQELZJFCDPXFKA-SAABIXHNSA-N 2 1 272.436 3.701 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc3c(c2)CCC3)C2CCC2)CC1 ZINC001236572853 1130978835 /nfs/dbraw/zinc/97/88/35/1130978835.db2.gz VLGNKQULUNYTED-KESTWPANSA-N 2 1 298.474 3.800 20 0 CHADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc3oc4ccccc4c3c2)C1 ZINC001236605331 1130983001 /nfs/dbraw/zinc/98/30/01/1130983001.db2.gz QWWZSPNBRUWANY-LJQANCHMSA-N 2 1 294.398 3.757 20 0 CHADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC001236605951 1130984285 /nfs/dbraw/zinc/98/42/85/1130984285.db2.gz XJJVTXZWSPOOOD-LPHOPBHVSA-N 2 1 288.479 3.659 20 0 CHADMP C(C[N@@H+](C1CCC1)C1CC[NH2+]CC1)C1CCCCC1 ZINC001236633748 1130986673 /nfs/dbraw/zinc/98/66/73/1130986673.db2.gz LCYSLMHXBCHILQ-UHFFFAOYSA-N 2 1 264.457 3.563 20 0 CHADMP Cc1cc(C)c(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c(C)c1 ZINC001236633875 1130987559 /nfs/dbraw/zinc/98/75/59/1130987559.db2.gz NESUUTYSDZAXKU-UHFFFAOYSA-N 2 1 286.463 3.718 20 0 CHADMP CC(C)(C)C[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236681230 1130993372 /nfs/dbraw/zinc/99/33/72/1130993372.db2.gz DYQRKVYAMWJCBQ-QAQDUYKDSA-N 2 1 274.452 3.805 20 0 CHADMP C[C@H]1C[C@@H]1C[N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236755786 1131005083 /nfs/dbraw/zinc/00/50/83/1131005083.db2.gz PJMYNWKKOGZPQD-RANZSIQMSA-N 2 1 278.484 3.795 20 0 CHADMP CC/C=C\CC[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236766912 1131005560 /nfs/dbraw/zinc/00/55/60/1131005560.db2.gz FAFBVQJUAVBKBU-LEULVCLVSA-N 2 1 266.473 3.961 20 0 CHADMP CCC(CC)[N@@H+](C[C@@H]1C[C@H]2C=C[C@@H]1C2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782450 1131006879 /nfs/dbraw/zinc/00/68/79/1131006879.db2.gz KHPGCGIKYUAVLU-OREBXVKISA-N 2 1 290.495 3.959 20 0 CHADMP C[C@H](C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1cccc2ccccc21 ZINC001236820948 1131013584 /nfs/dbraw/zinc/01/35/84/1131013584.db2.gz SVXDHTYVBCTCHJ-MWHZBGGUSA-N 2 1 294.442 3.612 20 0 CHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3-c3ccccc3)C[C@H]12 ZINC001236829895 1131015489 /nfs/dbraw/zinc/01/54/89/1131015489.db2.gz LJWWNQDYLPKSGV-YZGWKJHDSA-N 2 1 292.426 3.523 20 0 CHADMP CCC(CC)[N@@H+](CCCC[NH3+])[C@H](C)c1ccccc1 ZINC001236859604 1131025072 /nfs/dbraw/zinc/02/50/72/1131025072.db2.gz KHXDNYKNZJOXIA-OAHLLOKOSA-N 2 1 262.441 3.977 20 0 CHADMP CC[N@@H+](Cc1ccc(C2CCC2)cc1)C1CCN(C)CC1 ZINC001237111600 1131053497 /nfs/dbraw/zinc/05/34/97/1131053497.db2.gz UONVOVNITTZVIL-UHFFFAOYSA-N 2 1 286.463 3.870 20 0 CHADMP c1ccc(C2CC2)c(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237153390 1131060874 /nfs/dbraw/zinc/06/08/74/1131060874.db2.gz DHPWBHNSFOHBQD-SFHVURJKSA-N 2 1 284.447 3.671 20 0 CHADMP c1ccc(C2CC2)c(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237153390 1131060877 /nfs/dbraw/zinc/06/08/77/1131060877.db2.gz DHPWBHNSFOHBQD-SFHVURJKSA-N 2 1 284.447 3.671 20 0 CHADMP Fc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c2ccccc12 ZINC001237392048 1131094051 /nfs/dbraw/zinc/09/40/51/1131094051.db2.gz MGGOKOADIDBPDQ-KXBFYZLASA-N 2 1 298.405 3.553 20 0 CHADMP CC(C)(C)c1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237402913 1131095675 /nfs/dbraw/zinc/09/56/75/1131095675.db2.gz JIRDMXLWNGTBMW-WMZOPIPTSA-N 2 1 286.463 3.558 20 0 CHADMP CC(C)(C)c1cccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237402913 1131095682 /nfs/dbraw/zinc/09/56/82/1131095682.db2.gz JIRDMXLWNGTBMW-WMZOPIPTSA-N 2 1 286.463 3.558 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237411148 1131097947 /nfs/dbraw/zinc/09/79/47/1131097947.db2.gz GBRHVILTJIBNFG-WMLDXEAASA-N 2 1 292.854 3.531 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237411148 1131097952 /nfs/dbraw/zinc/09/79/52/1131097952.db2.gz GBRHVILTJIBNFG-WMLDXEAASA-N 2 1 292.854 3.531 20 0 CHADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc4c(F)cccc34)C2)C1 ZINC001237518127 1131109039 /nfs/dbraw/zinc/10/90/39/1131109039.db2.gz KFUCUCFASQPTPO-LJQANCHMSA-N 2 1 298.405 3.507 20 0 CHADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc4c(F)cccc34)C2)C1 ZINC001237518127 1131109044 /nfs/dbraw/zinc/10/90/44/1131109044.db2.gz KFUCUCFASQPTPO-LJQANCHMSA-N 2 1 298.405 3.507 20 0 CHADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc4c(F)cccc34)C2)C1 ZINC001237518127 1131109050 /nfs/dbraw/zinc/10/90/50/1131109050.db2.gz KFUCUCFASQPTPO-LJQANCHMSA-N 2 1 298.405 3.507 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc2nccc(C)c12 ZINC001237636527 1131121561 /nfs/dbraw/zinc/12/15/61/1131121561.db2.gz OIZBJFRCECPLKN-UHFFFAOYSA-N 2 1 299.462 3.707 20 0 CHADMP Cc1ccccc1C1CC([NH2+][C@@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001116544197 1131154743 /nfs/dbraw/zinc/15/47/43/1131154743.db2.gz JWXSXKHUZAAVBG-HWMSQKFYSA-N 2 1 286.463 3.703 20 0 CHADMP c1csc([C@H]2CCC[N@@H+]2Cc2cccc3cncn32)c1 ZINC001238114458 1131172986 /nfs/dbraw/zinc/17/29/86/1131172986.db2.gz UVGZDYVSZSEBQA-OAHLLOKOSA-N 2 1 283.400 3.733 20 0 CHADMP c1csc([C@H]2CCC[N@H+]2Cc2cccc3c[nH+]cn32)c1 ZINC001238114458 1131172989 /nfs/dbraw/zinc/17/29/89/1131172989.db2.gz UVGZDYVSZSEBQA-OAHLLOKOSA-N 2 1 283.400 3.733 20 0 CHADMP c1csc([C@H]2CCC[N@@H+]2Cc2cccc3c[nH+]cn32)c1 ZINC001238114458 1131172991 /nfs/dbraw/zinc/17/29/91/1131172991.db2.gz UVGZDYVSZSEBQA-OAHLLOKOSA-N 2 1 283.400 3.733 20 0 CHADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccccc1SC(C)(C)C ZINC000817961378 1131192532 /nfs/dbraw/zinc/19/25/32/1131192532.db2.gz XVJWSAAJHJQFJS-SWLSCSKDSA-N 2 1 292.492 3.965 20 0 CHADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000817959176 1131192676 /nfs/dbraw/zinc/19/26/76/1131192676.db2.gz PXBVLSOJFYFFRP-GWCFXTLKSA-N 2 1 288.407 3.635 20 0 CHADMP CC(C)([NH2+][C@H]1CC[NH2+]C(C)(C)C1)c1ccccc1Cl ZINC001246312584 1131459641 /nfs/dbraw/zinc/45/96/41/1131459641.db2.gz SUDLRCOTMBMQTP-LBPRGKRZSA-N 2 1 280.843 3.695 20 0 CHADMP CCC[C@H](C)CC[C@@H](C)[NH2+][C@H]1C[NH2+]CCC1(C)C ZINC001246332595 1131472655 /nfs/dbraw/zinc/47/26/55/1131472655.db2.gz QBUBXGSGZRKERI-ZNMIVQPWSA-N 2 1 254.462 3.569 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(OCC)cc1C ZINC001138435203 1131504898 /nfs/dbraw/zinc/50/48/98/1131504898.db2.gz CHFZQYKAUZILOD-UHFFFAOYSA-N 2 1 292.467 3.557 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)C2CCCCC2)cc1 ZINC001138543904 1131518405 /nfs/dbraw/zinc/51/84/05/1131518405.db2.gz ZEDVSYPMROFBJM-UHFFFAOYSA-N 2 1 283.419 3.945 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)C2CCCCC2)cc1 ZINC001138543904 1131518408 /nfs/dbraw/zinc/51/84/08/1131518408.db2.gz ZEDVSYPMROFBJM-UHFFFAOYSA-N 2 1 283.419 3.945 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@](C)(F)C2)cc1 ZINC001138544216 1131518905 /nfs/dbraw/zinc/51/89/05/1131518905.db2.gz DRIGCWQUFLKSGD-QGZVFWFLSA-N 2 1 287.382 3.505 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@](C)(F)C2)cc1 ZINC001138544216 1131518910 /nfs/dbraw/zinc/51/89/10/1131518910.db2.gz DRIGCWQUFLKSGD-QGZVFWFLSA-N 2 1 287.382 3.505 20 0 CHADMP CCCC(C[NH3+])(CCC)[NH2+][C@@H](C)Cc1ccccc1OC ZINC001246497256 1131526914 /nfs/dbraw/zinc/52/69/14/1131526914.db2.gz QMENOZMSHYRWKX-HNNXBMFYSA-N 2 1 292.467 3.514 20 0 CHADMP CCCCCC[C@H](CCCC)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246545275 1131592009 /nfs/dbraw/zinc/59/20/09/1131592009.db2.gz VPHFBBUVOCAVEV-ROUUACIJSA-N 2 1 298.515 3.691 20 0 CHADMP CC(C)CCC[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246569687 1131638129 /nfs/dbraw/zinc/63/81/29/1131638129.db2.gz RWVKXBASSIGTNM-JYJNAYRXSA-N 2 1 254.462 3.508 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246570727 1131643863 /nfs/dbraw/zinc/64/38/63/1131643863.db2.gz UWCCBNLRTUPGLN-YVSFHVDLSA-N 2 1 268.489 3.898 20 0 CHADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](CC1CC1)C(C)C ZINC001140028641 1131658710 /nfs/dbraw/zinc/65/87/10/1131658710.db2.gz YTLJIFIDGQOGJG-UHFFFAOYSA-N 2 1 283.419 3.801 20 0 CHADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](CC1CC1)C(C)C ZINC001140028641 1131658712 /nfs/dbraw/zinc/65/87/12/1131658712.db2.gz YTLJIFIDGQOGJG-UHFFFAOYSA-N 2 1 283.419 3.801 20 0 CHADMP C[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C[C@@H]1C ZINC001246574956 1131660738 /nfs/dbraw/zinc/66/07/38/1131660738.db2.gz OZKVDFHKJLEFOX-QKPAOTATSA-N 2 1 266.473 3.521 20 0 CHADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246578309 1131671267 /nfs/dbraw/zinc/67/12/67/1131671267.db2.gz AQKITJLULWSGHZ-YOEHRIQHSA-N 2 1 294.870 3.722 20 0 CHADMP C[C@]1(F)CCCC[N@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246579552 1131674951 /nfs/dbraw/zinc/67/49/51/1131674951.db2.gz ZKSFDXKLOSIHFN-HOTGVXAUSA-N 2 1 282.447 3.655 20 0 CHADMP CCCCCC[C@@H](CC)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246584776 1131693569 /nfs/dbraw/zinc/69/35/69/1131693569.db2.gz UUJHSJZXFJKORY-HZPDHXFCSA-N 2 1 254.462 3.796 20 0 CHADMP CC[C@H]1c2ccsc2CC[N@@H+]1CCCCCC[NH3+] ZINC000846218009 1131700790 /nfs/dbraw/zinc/70/07/90/1131700790.db2.gz GGHGLHYGKCKUOZ-AWEZNQCLSA-N 2 1 266.454 3.576 20 0 CHADMP CCc1nc(C)c([C@@H](C)[N@@H+](C)CCCCCC[NH3+])s1 ZINC000846219593 1131701436 /nfs/dbraw/zinc/70/14/36/1131701436.db2.gz CRPQNQHMXLRFPF-CYBMUJFWSA-N 2 1 283.485 3.526 20 0 CHADMP C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCCCCC[NH3+] ZINC000846219368 1131702072 /nfs/dbraw/zinc/70/20/72/1131702072.db2.gz PLLUACVVGIONBQ-GOEBONIOSA-N 2 1 278.415 3.523 20 0 CHADMP CCCC(CCC)[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001246588719 1131704011 /nfs/dbraw/zinc/70/40/11/1131704011.db2.gz CCXIOWWTWJXNPU-MRXNPFEDSA-N 2 1 254.462 3.808 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001246590685 1131707178 /nfs/dbraw/zinc/70/71/78/1131707178.db2.gz KOXSXBBJXLGTDG-YHUYYLMFSA-N 2 1 254.462 3.506 20 0 CHADMP CC(C)[N@@H+]([C@H]1CC[C@@H](C)[C@@H](C)C1)[C@H]1CCC[NH2+]CC1 ZINC001246595923 1131710403 /nfs/dbraw/zinc/71/04/03/1131710403.db2.gz UFKAVLUQOMPHCP-QZWWFDLISA-N 2 1 266.473 3.664 20 0 CHADMP C1CCC2(CC[NH+](C3CCCCCCC3)CC2)[NH2+]C1 ZINC001246607316 1131716026 /nfs/dbraw/zinc/71/60/26/1131716026.db2.gz CXELKCVNURSORF-UHFFFAOYSA-N 2 1 264.457 3.707 20 0 CHADMP CCCCCC[C@@H](CCC)[N@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001246610677 1131718029 /nfs/dbraw/zinc/71/80/29/1131718029.db2.gz NLBASFKGECOWQF-SJORKVTESA-N 2 1 266.473 3.953 20 0 CHADMP CC[C@H](C[C@@H](C)CC)[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246628963 1131734039 /nfs/dbraw/zinc/73/40/39/1131734039.db2.gz DAAAHEZDVGHDIJ-BBWFWOEESA-N 2 1 266.473 3.809 20 0 CHADMP CC[C@H](C[C@@H](C)CC)[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246628963 1131734041 /nfs/dbraw/zinc/73/40/41/1131734041.db2.gz DAAAHEZDVGHDIJ-BBWFWOEESA-N 2 1 266.473 3.809 20 0 CHADMP CCCCCC[C@@H](CCC)[N@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001246633679 1131739956 /nfs/dbraw/zinc/73/99/56/1131739956.db2.gz FFCSFQMYCFFPGZ-CVEARBPZSA-N 2 1 252.446 3.563 20 0 CHADMP C1CC2(CC[NH+]([C@@H]3CCCC4(CCCCC4)C3)CC2)[NH2+]1 ZINC001246649642 1131775350 /nfs/dbraw/zinc/77/53/50/1131775350.db2.gz PVJQLUZBSSTGCX-MRXNPFEDSA-N 2 1 276.468 3.707 20 0 CHADMP CCCCCC[C@@H](CCC)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001246648513 1131777780 /nfs/dbraw/zinc/77/77/80/1131777780.db2.gz LZCWUATYXZGUAO-SJORKVTESA-N 2 1 266.473 3.953 20 0 CHADMP CC[C@H]1CCC[N@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246850032 1131789512 /nfs/dbraw/zinc/78/95/12/1131789512.db2.gz SYRFPBGFVILXKP-JKSUJKDBSA-N 2 1 264.457 3.563 20 0 CHADMP CCCCc1ccc(C[NH+]2CCC3(CCC[NH2+]3)CC2)cc1 ZINC001228555283 1131909486 /nfs/dbraw/zinc/90/94/86/1131909486.db2.gz FMUQEPRGZIWKLI-UHFFFAOYSA-N 2 1 286.463 3.747 20 0 CHADMP C[C@H]1c2ccccc2CC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140802146 1131925151 /nfs/dbraw/zinc/92/51/51/1131925151.db2.gz OTINPUQNBTYYLA-ZDUSSCGKSA-N 2 1 277.371 3.682 20 0 CHADMP C[C@H]1c2ccccc2CC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140802146 1131925156 /nfs/dbraw/zinc/92/51/56/1131925156.db2.gz OTINPUQNBTYYLA-ZDUSSCGKSA-N 2 1 277.371 3.682 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC001140802497 1131926391 /nfs/dbraw/zinc/92/63/91/1131926391.db2.gz WZIGJIGMPSVLPB-OAHLLOKOSA-N 2 1 277.371 3.552 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC001140802497 1131926395 /nfs/dbraw/zinc/92/63/95/1131926395.db2.gz WZIGJIGMPSVLPB-OAHLLOKOSA-N 2 1 277.371 3.552 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc[nH]2)cc1 ZINC000773113135 1131948967 /nfs/dbraw/zinc/94/89/67/1131948967.db2.gz AGUJEHCQEISQRY-ZIAGYGMSSA-N 2 1 294.402 3.921 20 0 CHADMP C1=C[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000716694225 1132028291 /nfs/dbraw/zinc/02/82/91/1132028291.db2.gz RXQMHMAWRPAOLN-GTAWCEEGSA-N 2 1 296.458 3.595 20 0 CHADMP C1=CCC(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716619024 1132029087 /nfs/dbraw/zinc/02/90/87/1132029087.db2.gz AMXSIIPVCYCDNB-UFYCRDLUSA-N 2 1 296.458 3.595 20 0 CHADMP C[NH+]1C(C)(C)CC([NH2+]Cc2cc(F)cc(F)c2)CC1(C)C ZINC001171617450 1132065681 /nfs/dbraw/zinc/06/56/81/1132065681.db2.gz LKEWUTAJJDPKQR-UHFFFAOYSA-N 2 1 296.405 3.706 20 0 CHADMP COCC[C@@H]1CCCC[N@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171637464 1132081916 /nfs/dbraw/zinc/08/19/16/1132081916.db2.gz OKIPPXWZBQSOSB-HNNXBMFYSA-N 2 1 296.499 3.529 20 0 CHADMP CC/C=C\CCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206153244 1132117900 /nfs/dbraw/zinc/11/79/00/1132117900.db2.gz CJEWAYISRCDOKD-JGPFYOFESA-N 2 1 270.436 3.664 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206153244 1132117903 /nfs/dbraw/zinc/11/79/03/1132117903.db2.gz CJEWAYISRCDOKD-JGPFYOFESA-N 2 1 270.436 3.664 20 0 CHADMP C[N@H+](C1CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172078886 1132122745 /nfs/dbraw/zinc/12/27/45/1132122745.db2.gz JZSSMJZNTUBUKK-BWTSREIZSA-N 2 1 284.447 3.666 20 0 CHADMP C[N@@H+](C1CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172078886 1132122749 /nfs/dbraw/zinc/12/27/49/1132122749.db2.gz JZSSMJZNTUBUKK-BWTSREIZSA-N 2 1 284.447 3.666 20 0 CHADMP C[NH+](C1CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172078886 1132122752 /nfs/dbraw/zinc/12/27/52/1132122752.db2.gz JZSSMJZNTUBUKK-BWTSREIZSA-N 2 1 284.447 3.666 20 0 CHADMP C[NH+](C1CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172078886 1132122755 /nfs/dbraw/zinc/12/27/55/1132122755.db2.gz JZSSMJZNTUBUKK-BWTSREIZSA-N 2 1 284.447 3.666 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCCC3(CC(F)C3)CC1)C2 ZINC001172127323 1132125232 /nfs/dbraw/zinc/12/52/32/1132125232.db2.gz HZRXJOARFZXHDX-BXXFKTFBSA-N 2 1 294.458 3.606 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCC3(CC(F)C3)CC1)C2 ZINC001172127323 1132125233 /nfs/dbraw/zinc/12/52/33/1132125233.db2.gz HZRXJOARFZXHDX-BXXFKTFBSA-N 2 1 294.458 3.606 20 0 CHADMP C[C@@H]1C[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069857 1132125864 /nfs/dbraw/zinc/12/58/64/1132125864.db2.gz YTLDDSAZDXJLBI-DBDQLMEASA-N 2 1 284.447 3.570 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(Cl)c(F)c1)C2 ZINC001172100465 1132126246 /nfs/dbraw/zinc/12/62/46/1132126246.db2.gz QYQOEPGWXVHOSS-ZSOGYDGISA-N 2 1 296.817 3.584 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC001172102619 1132127127 /nfs/dbraw/zinc/12/71/27/1132127127.db2.gz NNDZBMFBFDMWMQ-ZJPYXAASSA-N 2 1 272.436 3.743 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001172102619 1132127130 /nfs/dbraw/zinc/12/71/30/1132127130.db2.gz NNDZBMFBFDMWMQ-ZJPYXAASSA-N 2 1 272.436 3.743 20 0 CHADMP CCCCC[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104666 1132128892 /nfs/dbraw/zinc/12/88/92/1132128892.db2.gz DXNBLHQMGQXSRT-JONQDZQNSA-N 2 1 252.446 3.560 20 0 CHADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC001172108450 1132129691 /nfs/dbraw/zinc/12/96/91/1132129691.db2.gz WLMYGAJHOJXLRU-PHZGNYQRSA-N 2 1 292.854 3.753 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCC1CCCC1)C2 ZINC001172107338 1132130923 /nfs/dbraw/zinc/13/09/23/1132130923.db2.gz VLIVDXAHQNVLLQ-BJWYYQGGSA-N 2 1 264.457 3.562 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172107379 1132130931 /nfs/dbraw/zinc/13/09/31/1132130931.db2.gz WHGFSTCPJNZJOM-ZMMAXQRCSA-N 2 1 284.447 3.587 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172107379 1132130933 /nfs/dbraw/zinc/13/09/33/1132130933.db2.gz WHGFSTCPJNZJOM-ZMMAXQRCSA-N 2 1 284.447 3.587 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(C(C)(C)C)CC1)C2 ZINC001172113781 1132133464 /nfs/dbraw/zinc/13/34/64/1132133464.db2.gz MFGOARYARPKQGF-BJWYYQGGSA-N 2 1 278.484 3.760 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(C(C)(C)C)CC1)C2 ZINC001172113781 1132133467 /nfs/dbraw/zinc/13/34/67/1132133467.db2.gz MFGOARYARPKQGF-BJWYYQGGSA-N 2 1 278.484 3.760 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1csc(Cl)c1)C2 ZINC001172118241 1132134013 /nfs/dbraw/zinc/13/40/13/1132134013.db2.gz PTGWHNWEBYJBTM-CLLJXQQHSA-N 2 1 284.856 3.506 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172115627 1132134185 /nfs/dbraw/zinc/13/41/85/1132134185.db2.gz UGDILRPUUQAXFH-DQEVTTJGSA-N 2 1 286.463 3.915 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172115627 1132134189 /nfs/dbraw/zinc/13/41/89/1132134189.db2.gz UGDILRPUUQAXFH-DQEVTTJGSA-N 2 1 286.463 3.915 20 0 CHADMP Cc1ccc(Cl)c(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172115193 1132134212 /nfs/dbraw/zinc/13/42/12/1132134212.db2.gz RXYWKBGFVYIUSG-MUJYYYPQSA-N 2 1 292.854 3.753 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172115626 1132134651 /nfs/dbraw/zinc/13/46/51/1132134651.db2.gz UGDILRPUUQAXFH-AXUOBQJMSA-N 2 1 286.463 3.915 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172115626 1132134655 /nfs/dbraw/zinc/13/46/55/1132134655.db2.gz UGDILRPUUQAXFH-AXUOBQJMSA-N 2 1 286.463 3.915 20 0 CHADMP CC[C@@H](CC(C)C)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001172384188 1132209536 /nfs/dbraw/zinc/20/95/36/1132209536.db2.gz FEQZJFGUMZADGP-HNNXBMFYSA-N 2 1 254.462 3.795 20 0 CHADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H](CC)CC(C)C)C1 ZINC001172394379 1132219121 /nfs/dbraw/zinc/21/91/21/1132219121.db2.gz SJESYVJEBPEGFO-CABCVRRESA-N 2 1 254.462 3.664 20 0 CHADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H](CC)CC(C)C)C1 ZINC001172394379 1132219125 /nfs/dbraw/zinc/21/91/25/1132219125.db2.gz SJESYVJEBPEGFO-CABCVRRESA-N 2 1 254.462 3.664 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172551683 1132263773 /nfs/dbraw/zinc/26/37/73/1132263773.db2.gz SMQAHJHGHBGGTE-IEWDOMPSSA-N 2 1 284.447 3.538 20 0 CHADMP CC[N@@H+](C)C1CC[NH+]([C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172565559 1132270349 /nfs/dbraw/zinc/27/03/49/1132270349.db2.gz KIVSUZULZBWBGP-IEBWSBKVSA-N 2 1 286.463 3.739 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172537831 1132275160 /nfs/dbraw/zinc/27/51/60/1132275160.db2.gz VSPIHPDYLOYEOA-CEXWTWQISA-N 2 1 286.463 3.787 20 0 CHADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172538836 1132275871 /nfs/dbraw/zinc/27/58/71/1132275871.db2.gz UQNFAHMBDANJFQ-QZTJIDSGSA-N 2 1 274.452 3.774 20 0 CHADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172541770 1132276847 /nfs/dbraw/zinc/27/68/47/1132276847.db2.gz DRBXPIDCIHHWSM-QRVBRYPASA-N 2 1 286.463 3.787 20 0 CHADMP C[N@@H+](CC1CC[NH+](C)CC1)C1CCC2(CCCC2)CC1 ZINC001172728478 1132300911 /nfs/dbraw/zinc/30/09/11/1132300911.db2.gz DFRNHEYGFSHFIC-UHFFFAOYSA-N 2 1 278.484 3.763 20 0 CHADMP CC[N@@H+](C)C1CC[NH+](C2CCC3(CCCC3)CC2)CC1 ZINC001172730916 1132305538 /nfs/dbraw/zinc/30/55/38/1132305538.db2.gz RCLDEWLIPHKGTD-UHFFFAOYSA-N 2 1 278.484 3.906 20 0 CHADMP CC[NH+](CC)C1CCC([N@@H+](C)CCc2cccs2)CC1 ZINC001173111782 1132394075 /nfs/dbraw/zinc/39/40/75/1132394075.db2.gz LQAJMHREPDIOFU-UHFFFAOYSA-N 2 1 294.508 3.875 20 0 CHADMP CC[NH+](CC)C1CCC([N@@H+](C(C)C)C2CCOCC2)CC1 ZINC001173117768 1132398269 /nfs/dbraw/zinc/39/82/69/1132398269.db2.gz XGSRKBOHVGALAY-UHFFFAOYSA-N 2 1 296.499 3.529 20 0 CHADMP Cc1ccc(C[N@@H+](C)Cc2cc3c[nH+]ccc3[nH]2)cc1 ZINC001232015341 1132410869 /nfs/dbraw/zinc/41/08/69/1132410869.db2.gz VWYHGLUITQAQKC-UHFFFAOYSA-N 2 1 265.360 3.503 20 0 CHADMP Cc1ccc(CC[N@H+](C)Cc2cc3c[nH+]ccc3[nH]2)cc1 ZINC001232013795 1132410933 /nfs/dbraw/zinc/41/09/33/1132410933.db2.gz FTZCUJPAZVVYHY-UHFFFAOYSA-N 2 1 279.387 3.546 20 0 CHADMP CC[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1cccc(OC)c1 ZINC001232015696 1132410988 /nfs/dbraw/zinc/41/09/88/1132410988.db2.gz LGTCTLSNBWKQOB-UHFFFAOYSA-N 2 1 295.386 3.594 20 0 CHADMP FC1CC2(C1)CCC[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232015719 1132411667 /nfs/dbraw/zinc/41/16/67/1132411667.db2.gz MIEXCDJLUGMBRI-UHFFFAOYSA-N 2 1 287.382 3.667 20 0 CHADMP CC1(C)C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)Cc2ccccc21 ZINC001232017186 1132412354 /nfs/dbraw/zinc/41/23/54/1132412354.db2.gz MMMILKQTEWFMRO-UHFFFAOYSA-N 2 1 291.398 3.856 20 0 CHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC001232145225 1132427165 /nfs/dbraw/zinc/42/71/65/1132427165.db2.gz YQIMIRWMOGEAKI-IRXDYDNUSA-N 2 1 290.426 3.509 20 0 CHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC001232145114 1132427764 /nfs/dbraw/zinc/42/77/64/1132427764.db2.gz VRPCUBUYOOYKTG-CALCHBBNSA-N 2 1 290.426 3.509 20 0 CHADMP C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232146677 1132428733 /nfs/dbraw/zinc/42/87/33/1132428733.db2.gz YAOFNUVMMRWDFN-UONOGXRCSA-N 2 1 278.415 3.508 20 0 CHADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H]1c1cccs1 ZINC000842471623 1132433484 /nfs/dbraw/zinc/43/34/84/1132433484.db2.gz MVLSQGVUCRSHQE-CQSZACIVSA-N 2 1 266.454 3.794 20 0 CHADMP C[C@@H](c1cccc2ccccc21)[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000842478310 1132433676 /nfs/dbraw/zinc/43/36/76/1132433676.db2.gz NFILKMFOMSJSPX-HNAYVOBHSA-N 2 1 280.415 3.729 20 0 CHADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000842478310 1132433679 /nfs/dbraw/zinc/43/36/79/1132433679.db2.gz NFILKMFOMSJSPX-HNAYVOBHSA-N 2 1 280.415 3.729 20 0 CHADMP CC[C@@H]1CC[C@@H]([N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)C1 ZINC001173296680 1132444591 /nfs/dbraw/zinc/44/45/91/1132444591.db2.gz VPWFVTBBTNHOJJ-XMTFNYHQSA-N 2 1 278.484 3.904 20 0 CHADMP CC[C@@H]1CC[C@@H]([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)C1 ZINC001173296680 1132444595 /nfs/dbraw/zinc/44/45/95/1132444595.db2.gz VPWFVTBBTNHOJJ-XMTFNYHQSA-N 2 1 278.484 3.904 20 0 CHADMP CC[C@@H]1CC[C@@H]([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)C1 ZINC001173296680 1132444599 /nfs/dbraw/zinc/44/45/99/1132444599.db2.gz VPWFVTBBTNHOJJ-XMTFNYHQSA-N 2 1 278.484 3.904 20 0 CHADMP CC(C)[N@@H+](Cc1nccc2ccccc21)C1CCN(C)CC1 ZINC001232250857 1132445453 /nfs/dbraw/zinc/44/54/53/1132445453.db2.gz FQTASWAYCAJPMZ-UHFFFAOYSA-N 2 1 297.446 3.539 20 0 CHADMP CC[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001173285084 1132456714 /nfs/dbraw/zinc/45/67/14/1132456714.db2.gz UUSHSNHEJZHRJO-RSPOEFSDSA-N 2 1 298.474 3.629 20 0 CHADMP CC[C@@H]1CC[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001173285084 1132456720 /nfs/dbraw/zinc/45/67/20/1132456720.db2.gz UUSHSNHEJZHRJO-RSPOEFSDSA-N 2 1 298.474 3.629 20 0 CHADMP CC[C@@H]1CC[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001173285084 1132456723 /nfs/dbraw/zinc/45/67/23/1132456723.db2.gz UUSHSNHEJZHRJO-RSPOEFSDSA-N 2 1 298.474 3.629 20 0 CHADMP C[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000842923228 1132476361 /nfs/dbraw/zinc/47/63/61/1132476361.db2.gz HMWXMCAVPUFPHR-JQHSSLGASA-N 2 1 288.479 3.746 20 0 CHADMP Clc1csc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000843126071 1132495656 /nfs/dbraw/zinc/49/56/56/1132495656.db2.gz FSSNXQZKITZOMV-CHWSQXEVSA-N 2 1 298.883 3.613 20 0 CHADMP c1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)c2c(c1)CCCC2 ZINC001232634770 1132499025 /nfs/dbraw/zinc/49/90/25/1132499025.db2.gz VIVQUJRMKUFRBS-UHFFFAOYSA-N 2 1 298.474 3.626 20 0 CHADMP C[N@@H+](CCSc1ccc(Cl)cc1)C1CCC([NH3+])CC1 ZINC000843353997 1132522734 /nfs/dbraw/zinc/52/27/34/1132522734.db2.gz PTSLDBMSAPGAKK-UHFFFAOYSA-N 2 1 298.883 3.634 20 0 CHADMP C[C@H]([NH3+])c1ccc2c(ccn2-c2cc3[nH]ccc3c[nH+]2)c1 ZINC001155339705 1132655326 /nfs/dbraw/zinc/65/53/26/1132655326.db2.gz JMGWLASVVVPLEH-NSHDSACASA-N 2 1 276.343 3.527 20 0 CHADMP Cc1cc(C)[nH+]c(NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC001156523177 1132702270 /nfs/dbraw/zinc/70/22/70/1132702270.db2.gz MRTBJSPJMLYELL-GOSISDBHSA-N 2 1 295.430 3.947 20 0 CHADMP Cc1c[nH+]c(N(C2CCCC2)C2CC[NH+](C)CC2)cc1C ZINC001158488082 1132781197 /nfs/dbraw/zinc/78/11/97/1132781197.db2.gz WLWICVBHIRMULP-UHFFFAOYSA-N 2 1 287.451 3.542 20 0 CHADMP Cc1cccc2c1cc[nH+]c2NC(C)(C)CC[NH+](C)C ZINC001158756672 1132791326 /nfs/dbraw/zinc/79/13/26/1132791326.db2.gz DBBMHKWFIXXNBA-UHFFFAOYSA-N 2 1 271.408 3.685 20 0 CHADMP Cn1c2ccccc2[nH+]c1Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001159122709 1132810212 /nfs/dbraw/zinc/81/02/12/1132810212.db2.gz KYQVMRKMWWADHI-UHFFFAOYSA-N 2 1 280.375 3.511 20 0 CHADMP c1[nH+]c2ccccn2c1Nc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001159203612 1132815004 /nfs/dbraw/zinc/81/50/04/1132815004.db2.gz GGOCMKIXVHNMGP-OAHLLOKOSA-N 2 1 278.359 3.502 20 0 CHADMP C[NH+]1C(C)(C)CC(Nc2ccc3c([nH+]2)CCC3)CC1(C)C ZINC001159397931 1132839288 /nfs/dbraw/zinc/83/92/88/1132839288.db2.gz UEGFNNMSBVIQHT-UHFFFAOYSA-N 2 1 287.451 3.634 20 0 CHADMP Cc1cc([NH+]2CCCCC2)ccc1NC1=CCC[NH2+]CC1 ZINC001159818378 1132911371 /nfs/dbraw/zinc/91/13/71/1132911371.db2.gz ODVPIZUHLXECMK-UHFFFAOYSA-N 2 1 285.435 3.665 20 0 CHADMP Cc1ccc2c(C)cc(NCCCC[NH+](C)C)[nH+]c2c1 ZINC001161728097 1133021640 /nfs/dbraw/zinc/02/16/40/1133021640.db2.gz BDYRYHWWZPCSOR-UHFFFAOYSA-N 2 1 271.408 3.605 20 0 CHADMP Cc1cc(C)c2[nH+]c(N[C@@H]3CCC[C@H]([NH3+])C3)cc(C)c2c1 ZINC001162395839 1133073954 /nfs/dbraw/zinc/07/39/54/1133073954.db2.gz VZSAPTOZNNXNAJ-LSDHHAIUSA-N 2 1 283.419 3.842 20 0 CHADMP Cc1cc2cc[nH+]c(NCc3cccc(C[NH+](C)C)c3)c2[nH]1 ZINC001163992494 1133191110 /nfs/dbraw/zinc/19/11/10/1133191110.db2.gz GVMAUMCEUXUYOA-UHFFFAOYSA-N 2 1 294.402 3.545 20 0 CHADMP CCc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)o1 ZINC001204395377 1133228405 /nfs/dbraw/zinc/22/84/05/1133228405.db2.gz NPXQEMDJIXPVMY-JKSUJKDBSA-N 2 1 290.451 3.681 20 0 CHADMP CCc1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)o1 ZINC001204395377 1133228411 /nfs/dbraw/zinc/22/84/11/1133228411.db2.gz NPXQEMDJIXPVMY-JKSUJKDBSA-N 2 1 290.451 3.681 20 0 CHADMP CCc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)o1 ZINC001204395377 1133228415 /nfs/dbraw/zinc/22/84/15/1133228415.db2.gz NPXQEMDJIXPVMY-JKSUJKDBSA-N 2 1 290.451 3.681 20 0 CHADMP CCc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)o1 ZINC001204395377 1133228420 /nfs/dbraw/zinc/22/84/20/1133228420.db2.gz NPXQEMDJIXPVMY-JKSUJKDBSA-N 2 1 290.451 3.681 20 0 CHADMP CN1CCC[C@@H]2C[N@@H+](Cc3ccc(C(C)(C)C)cc3)C[C@H]21 ZINC001204398703 1133256106 /nfs/dbraw/zinc/25/61/06/1133256106.db2.gz MNHDXICGONLEMS-SJLPKXTDSA-N 2 1 286.463 3.510 20 0 CHADMP C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(C(C)(C)C)cc3)C[C@H]21 ZINC001204398703 1133256113 /nfs/dbraw/zinc/25/61/13/1133256113.db2.gz MNHDXICGONLEMS-SJLPKXTDSA-N 2 1 286.463 3.510 20 0 CHADMP C[N@H+]1CCC[C@@H]2CN(Cc3ccc(C(C)(C)C)cc3)C[C@H]21 ZINC001204398703 1133256117 /nfs/dbraw/zinc/25/61/17/1133256117.db2.gz MNHDXICGONLEMS-SJLPKXTDSA-N 2 1 286.463 3.510 20 0 CHADMP CC1(C)CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001203180826 1133305664 /nfs/dbraw/zinc/30/56/64/1133305664.db2.gz DZGSMCYSFDMQFM-JKSUJKDBSA-N 2 1 278.484 3.952 20 0 CHADMP CC1(C)CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001203180826 1133305667 /nfs/dbraw/zinc/30/56/67/1133305667.db2.gz DZGSMCYSFDMQFM-JKSUJKDBSA-N 2 1 278.484 3.952 20 0 CHADMP C([NH2+]CC1CCCCC1)[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001203409117 1133323716 /nfs/dbraw/zinc/32/37/16/1133323716.db2.gz UAOYVRGDEFFNRQ-SFHVURJKSA-N 2 1 278.484 3.953 20 0 CHADMP C([NH2+]CC1CCCCC1)[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001203409117 1133323721 /nfs/dbraw/zinc/32/37/21/1133323721.db2.gz UAOYVRGDEFFNRQ-SFHVURJKSA-N 2 1 278.484 3.953 20 0 CHADMP Fc1cccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001203786056 1133368986 /nfs/dbraw/zinc/36/89/86/1133368986.db2.gz IENXXVYFUXFKJY-SFHVURJKSA-N 2 1 290.426 3.666 20 0 CHADMP Fc1cccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001203786056 1133368987 /nfs/dbraw/zinc/36/89/87/1133368987.db2.gz IENXXVYFUXFKJY-SFHVURJKSA-N 2 1 290.426 3.666 20 0 CHADMP Fc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC001203916692 1133384924 /nfs/dbraw/zinc/38/49/24/1133384924.db2.gz PWRXCDYERQPGBW-SFHVURJKSA-N 2 1 290.426 3.666 20 0 CHADMP Fc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC001203916692 1133384930 /nfs/dbraw/zinc/38/49/30/1133384930.db2.gz PWRXCDYERQPGBW-SFHVURJKSA-N 2 1 290.426 3.666 20 0 CHADMP Cc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)s1 ZINC001204034324 1133401393 /nfs/dbraw/zinc/40/13/93/1133401393.db2.gz GRCJRFYFURSIHW-INIZCTEOSA-N 2 1 292.492 3.897 20 0 CHADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(F)c(F)c2)CC1 ZINC001204227105 1133421387 /nfs/dbraw/zinc/42/13/87/1133421387.db2.gz XJUNJKMNAYROOA-UHFFFAOYSA-N 2 1 296.405 3.661 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(F)c(F)c2)CC1 ZINC001204227105 1133421389 /nfs/dbraw/zinc/42/13/89/1133421389.db2.gz XJUNJKMNAYROOA-UHFFFAOYSA-N 2 1 296.405 3.661 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(C)c(C)c2)CC1 ZINC001204357258 1133439656 /nfs/dbraw/zinc/43/96/56/1133439656.db2.gz QOPMXOFCVCDQIM-UHFFFAOYSA-N 2 1 288.479 4.000 20 0 CHADMP C[NH+](C)Cc1ccc(-c2cc(F)c3c(c2)C[N@H+](C)CC3)cc1 ZINC001204660447 1133472302 /nfs/dbraw/zinc/47/23/02/1133472302.db2.gz GMZJCOYPPMAHIO-UHFFFAOYSA-N 2 1 298.405 3.542 20 0 CHADMP c1ccc2c(c1)cccc2C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727880 1133479337 /nfs/dbraw/zinc/47/93/37/1133479337.db2.gz UBUUNYHEKZJEIQ-UHFFFAOYSA-N 2 1 294.442 3.805 20 0 CHADMP Cc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)ccc1Cl ZINC001204735579 1133479723 /nfs/dbraw/zinc/47/97/23/1133479723.db2.gz YLGRUFZXBUZHRP-UHFFFAOYSA-N 2 1 292.854 3.614 20 0 CHADMP Cc1c(C[N@@H+]2CC[C@](C)([NH3+])C2)cccc1-c1ccccc1 ZINC001204800702 1133486320 /nfs/dbraw/zinc/48/63/20/1133486320.db2.gz GHOYENNWZONUER-IBGZPJMESA-N 2 1 280.415 3.585 20 0 CHADMP Cc1c(C[N@H+]2CC[C@](C)([NH3+])C2)cccc1-c1ccccc1 ZINC001204800702 1133486324 /nfs/dbraw/zinc/48/63/24/1133486324.db2.gz GHOYENNWZONUER-IBGZPJMESA-N 2 1 280.415 3.585 20 0 CHADMP [NH3+][C@H]1CCC[N@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC001204877994 1133495427 /nfs/dbraw/zinc/49/54/27/1133495427.db2.gz RZWWTHJQKQPDQR-AWEZNQCLSA-N 2 1 280.371 3.509 20 0 CHADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC001204877994 1133495430 /nfs/dbraw/zinc/49/54/30/1133495430.db2.gz RZWWTHJQKQPDQR-AWEZNQCLSA-N 2 1 280.371 3.509 20 0 CHADMP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1cccc2c3ccccc3oc21 ZINC001204925528 1133500786 /nfs/dbraw/zinc/50/07/86/1133500786.db2.gz ULOJXSIVWGLHIS-HNNXBMFYSA-N 2 1 294.398 3.899 20 0 CHADMP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1cccc2c3ccccc3oc21 ZINC001204925528 1133500791 /nfs/dbraw/zinc/50/07/91/1133500791.db2.gz ULOJXSIVWGLHIS-HNNXBMFYSA-N 2 1 294.398 3.899 20 0 CHADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC001204924857 1133501736 /nfs/dbraw/zinc/50/17/36/1133501736.db2.gz BUKFTYLYMKMHHL-CQSZACIVSA-N 2 1 299.462 3.779 20 0 CHADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC001204924857 1133501740 /nfs/dbraw/zinc/50/17/40/1133501740.db2.gz BUKFTYLYMKMHHL-CQSZACIVSA-N 2 1 299.462 3.779 20 0 CHADMP Cc1cccc(-c2ccc(C[N@@H+]3CCC[C@@](C)([NH3+])C3)cc2)c1 ZINC001204945587 1133505505 /nfs/dbraw/zinc/50/55/05/1133505505.db2.gz HKVLIJNQQHRSIX-HXUWFJFHSA-N 2 1 294.442 3.975 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3CCC[C@@](C)([NH3+])C3)cc2)c1 ZINC001204945587 1133505511 /nfs/dbraw/zinc/50/55/11/1133505511.db2.gz HKVLIJNQQHRSIX-HXUWFJFHSA-N 2 1 294.442 3.975 20 0 CHADMP C[C@H]1CC[C@@H](CN)[N@@H+]1Cc1ccc2oc3ccccc3c2c1 ZINC001205068967 1133522633 /nfs/dbraw/zinc/52/26/33/1133522633.db2.gz QQWSKSLZFMGPGF-ZFWWWQNUSA-N 2 1 294.398 3.898 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc2oc3ccccc3c2c1 ZINC001205068967 1133522644 /nfs/dbraw/zinc/52/26/44/1133522644.db2.gz QQWSKSLZFMGPGF-ZFWWWQNUSA-N 2 1 294.398 3.898 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc2oc3ccccc3c2c1 ZINC001205068967 1133522649 /nfs/dbraw/zinc/52/26/49/1133522649.db2.gz QQWSKSLZFMGPGF-ZFWWWQNUSA-N 2 1 294.398 3.898 20 0 CHADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(-c3cccs3)cc2)CC1 ZINC001205109505 1133531211 /nfs/dbraw/zinc/53/12/11/1133531211.db2.gz HFWKSIBHFYBSFY-INIZCTEOSA-N 2 1 286.444 3.728 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccc(-c3cccs3)s2)C[C@H]1C[NH3+] ZINC001205136330 1133535016 /nfs/dbraw/zinc/53/50/16/1133535016.db2.gz ZCSRSLXHZZFPFH-NWDGAFQWSA-N 2 1 292.473 3.503 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H](C)[C@H](C[NH3+])C3)cc2)cc1 ZINC001205140344 1133535162 /nfs/dbraw/zinc/53/51/62/1133535162.db2.gz HTJNSCLJGYKMJP-OXJNMPFZSA-N 2 1 294.442 3.689 20 0 CHADMP C[C@H](CC[N@H+]1CCC[C@](C)([NH3+])CC1)CC(C)(C)C ZINC001205255834 1133550315 /nfs/dbraw/zinc/55/03/15/1133550315.db2.gz LPOWPIIFRUDKDT-ZBFHGGJFSA-N 2 1 254.462 3.652 20 0 CHADMP C[C@H](CC[N@H+]1CCC[C@@](C)([NH3+])CC1)CC(C)(C)C ZINC001205255831 1133550466 /nfs/dbraw/zinc/55/04/66/1133550466.db2.gz LPOWPIIFRUDKDT-GDBMZVCRSA-N 2 1 254.462 3.652 20 0 CHADMP COc1ccc2cc(C[N@H+]3CCC[C@@](C)([NH3+])CC3)ccc2c1 ZINC001205264254 1133551055 /nfs/dbraw/zinc/55/10/55/1133551055.db2.gz IHJNUWMHIVDJQK-LJQANCHMSA-N 2 1 298.430 3.552 20 0 CHADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2csc3ccccc23)CC1 ZINC001205274391 1133553587 /nfs/dbraw/zinc/55/35/87/1133553587.db2.gz WXOVJRDQIIPMFZ-MRXNPFEDSA-N 2 1 274.433 3.605 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205305956 1133558529 /nfs/dbraw/zinc/55/85/29/1133558529.db2.gz USISBSITRAFKHO-WMLDXEAASA-N 2 1 282.431 3.565 20 0 CHADMP Cc1c(C[N@@H+]2CC[NH2+]CC[C@H]2C)cccc1-c1ccccc1 ZINC001205333312 1133563400 /nfs/dbraw/zinc/56/34/00/1133563400.db2.gz ZTRVRQKBTLWUDZ-MRXNPFEDSA-N 2 1 294.442 3.846 20 0 CHADMP C([NH2+][C@H]1CC[C@@H]1C1CCC1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001205554306 1133586816 /nfs/dbraw/zinc/58/68/16/1133586816.db2.gz CJLLMLFFWSVOMJ-QRVBRYPASA-N 2 1 290.495 3.952 20 0 CHADMP Cc1ccc(F)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1Cl ZINC001205617232 1133594975 /nfs/dbraw/zinc/59/49/75/1133594975.db2.gz INOPYZKAIWAQLW-WCQYABFASA-N 2 1 298.833 3.594 20 0 CHADMP CCCc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)s1 ZINC001205617577 1133596439 /nfs/dbraw/zinc/59/64/39/1133596439.db2.gz LBRNDMCURAVPIH-ZIAGYGMSSA-N 2 1 280.481 3.507 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205629475 1133597740 /nfs/dbraw/zinc/59/77/40/1133597740.db2.gz ZCBDKFODLWJIRH-CRAIPNDOSA-N 2 1 296.458 3.955 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2ccc(F)c(C3CC3)c2)CC[C@H]1C[NH3+] ZINC001205655172 1133599390 /nfs/dbraw/zinc/59/93/90/1133599390.db2.gz YXUAGNWVFAZVLD-CJNGLKHVSA-N 2 1 290.426 3.510 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2ccc(C3CCC3)cc2)CC[C@@H]1C[NH3+] ZINC001205651219 1133600335 /nfs/dbraw/zinc/60/03/35/1133600335.db2.gz BDPNUJFPQKZDNL-HNAYVOBHSA-N 2 1 286.463 3.761 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1 ZINC001205915788 1133629984 /nfs/dbraw/zinc/62/99/84/1133629984.db2.gz QLXBTZZFQDXAMF-KGLIPLIRSA-N 2 1 280.843 3.516 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3CCCC[C@H]([NH3+])C3)cc2)o1 ZINC001205931469 1133632755 /nfs/dbraw/zinc/63/27/55/1133632755.db2.gz JMGAKSVKGVASJU-KRWDZBQOSA-N 2 1 284.403 3.568 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CCCC[C@H]([NH3+])C3)cc2)o1 ZINC001205931469 1133632756 /nfs/dbraw/zinc/63/27/56/1133632756.db2.gz JMGAKSVKGVASJU-KRWDZBQOSA-N 2 1 284.403 3.568 20 0 CHADMP C[C@H]1C[N@@H+](CCCc2ccc(Cl)cc2)CCC[C@H]1C[NH3+] ZINC001205984218 1133638056 /nfs/dbraw/zinc/63/80/56/1133638056.db2.gz RLKUULCQXXJACD-HOCLYGCPSA-N 2 1 294.870 3.579 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2cc3ccccc3s2)CCC[C@@H]1C[NH3+] ZINC001205996577 1133639041 /nfs/dbraw/zinc/63/90/41/1133639041.db2.gz XKLSPRRXHHQSIG-UKRRQHHQSA-N 2 1 288.460 3.708 20 0 CHADMP CC(C)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001205995778 1133639061 /nfs/dbraw/zinc/63/90/61/1133639061.db2.gz QEGBVDHNGCVBAC-YJBOKZPZSA-N 2 1 274.452 3.617 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001206012407 1133641020 /nfs/dbraw/zinc/64/10/20/1133641020.db2.gz LDWKVQAONWTUGS-LPHOPBHVSA-N 2 1 288.479 3.836 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)o2)CCC[C@H]1C[NH3+] ZINC001206011601 1133641294 /nfs/dbraw/zinc/64/12/94/1133641294.db2.gz FJLKHRKEFUIYOD-WBVHZDCISA-N 2 1 298.430 3.753 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(C3CC3)c2)CCC[C@H]1C[NH3+] ZINC001206036557 1133646261 /nfs/dbraw/zinc/64/62/61/1133646261.db2.gz LAACYMFMOZRDCV-CJNGLKHVSA-N 2 1 290.426 3.510 20 0 CHADMP Fc1ccc([C@H]2CCC[N@H+]2Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001206050035 1133649447 /nfs/dbraw/zinc/64/94/47/1133649447.db2.gz YOGDJSAKTVNCJN-LJQANCHMSA-N 2 1 296.389 3.766 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC001206056420 1133650124 /nfs/dbraw/zinc/65/01/24/1133650124.db2.gz REDLZZQQZUSKND-KLHDSHLOSA-N 2 1 254.462 3.521 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC001206056420 1133650126 /nfs/dbraw/zinc/65/01/26/1133650126.db2.gz REDLZZQQZUSKND-KLHDSHLOSA-N 2 1 254.462 3.521 20 0 CHADMP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001206214945 1133671373 /nfs/dbraw/zinc/67/13/73/1133671373.db2.gz HUBVSFXXBQTSEA-FGTMMUONSA-N 2 1 280.500 3.913 20 0 CHADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001206257940 1133677715 /nfs/dbraw/zinc/67/77/15/1133677715.db2.gz NOALAHUQTLTWLE-HNNXBMFYSA-N 2 1 298.405 3.677 20 0 CHADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001206257940 1133677718 /nfs/dbraw/zinc/67/77/18/1133677718.db2.gz NOALAHUQTLTWLE-HNNXBMFYSA-N 2 1 298.405 3.677 20 0 CHADMP CC(C)c1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1 ZINC001206292459 1133684345 /nfs/dbraw/zinc/68/43/45/1133684345.db2.gz BGDDJHCGFDACTI-SFHVURJKSA-N 2 1 274.452 3.761 20 0 CHADMP CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206344089 1133692255 /nfs/dbraw/zinc/69/22/55/1133692255.db2.gz NEVWNTACDITZLL-GOSISDBHSA-N 2 1 292.442 3.637 20 0 CHADMP CC(C)(C)c1ccc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206344089 1133692259 /nfs/dbraw/zinc/69/22/59/1133692259.db2.gz NEVWNTACDITZLL-GOSISDBHSA-N 2 1 292.442 3.637 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206542338 1133715120 /nfs/dbraw/zinc/71/51/20/1133715120.db2.gz YNQCGMIIOBZRJG-SJORKVTESA-N 2 1 266.473 3.820 20 0 CHADMP C[C@]1(C[NH3+])CCCC[N@@H+](CCCC2CCCCC2)C1 ZINC001206541816 1133715492 /nfs/dbraw/zinc/71/54/92/1133715492.db2.gz KUNXTIMJKJHJSC-QGZVFWFLSA-N 2 1 266.473 3.798 20 0 CHADMP Cc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1Cl ZINC001206563509 1133718691 /nfs/dbraw/zinc/71/86/91/1133718691.db2.gz FHNBZPVVVDABAL-MRXNPFEDSA-N 2 1 280.843 3.599 20 0 CHADMP Cc1cccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1Cl ZINC001206572851 1133720410 /nfs/dbraw/zinc/72/04/10/1133720410.db2.gz GCGATQUMKHMAOQ-MRXNPFEDSA-N 2 1 280.843 3.599 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206573447 1133720574 /nfs/dbraw/zinc/72/05/74/1133720574.db2.gz KUXKPZQEGUPPMI-QGZVFWFLSA-N 2 1 294.870 3.908 20 0 CHADMP Cc1c(C)c(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)ccc1Cl ZINC001206575738 1133720715 /nfs/dbraw/zinc/72/07/15/1133720715.db2.gz XMVCKLUTEVFUDE-KRWDZBQOSA-N 2 1 294.870 3.908 20 0 CHADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(F)c3ccoc32)C1 ZINC001206573909 1133720733 /nfs/dbraw/zinc/72/07/33/1133720733.db2.gz PDBYDIGQOREVBZ-QGZVFWFLSA-N 2 1 290.382 3.523 20 0 CHADMP CC(C)[N@@H+](Cc1csc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206588551 1133723459 /nfs/dbraw/zinc/72/34/59/1133723459.db2.gz BFCADNYKLLPJBF-CYBMUJFWSA-N 2 1 286.872 3.754 20 0 CHADMP CC(C)[N@@H+](Cc1cc2ccccc2n1C)[C@H]1CCC[NH2+]CC1 ZINC001206588944 1133723533 /nfs/dbraw/zinc/72/35/33/1133723533.db2.gz DNTLFXANDMENHH-KRWDZBQOSA-N 2 1 299.462 3.531 20 0 CHADMP CC(C)[N@@H+](Cc1ccccc1C1CC1)[C@H]1CCC[NH2+]CC1 ZINC001206591312 1133723655 /nfs/dbraw/zinc/72/36/55/1133723655.db2.gz RERVRQOWGFKGHK-SFHVURJKSA-N 2 1 286.463 3.917 20 0 CHADMP CC(C)[N@@H+](Cc1cccc2occc21)[C@H]1CCC[NH2+]CC1 ZINC001206597963 1133725392 /nfs/dbraw/zinc/72/53/92/1133725392.db2.gz GVVYUPZCSJYVCU-INIZCTEOSA-N 2 1 286.419 3.785 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206607246 1133726377 /nfs/dbraw/zinc/72/63/77/1133726377.db2.gz YPSTYLBKXNVGFG-CWIOURORSA-N 2 1 266.473 3.964 20 0 CHADMP CSc1ccc(Cl)cc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206805716 1133750576 /nfs/dbraw/zinc/75/05/76/1133750576.db2.gz CWCJDZQVIJTEPX-NWDGAFQWSA-N 2 1 298.883 3.621 20 0 CHADMP CSc1ccc(Cl)cc1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206805716 1133750579 /nfs/dbraw/zinc/75/05/79/1133750579.db2.gz CWCJDZQVIJTEPX-NWDGAFQWSA-N 2 1 298.883 3.621 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)C[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001207195331 1133779176 /nfs/dbraw/zinc/77/91/76/1133779176.db2.gz FQWHXLKCOJANDG-RDJZCZTQSA-N 2 1 294.870 3.717 20 0 CHADMP Clc1ccc([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)s1 ZINC001207438045 1133802171 /nfs/dbraw/zinc/80/21/71/1133802171.db2.gz SAMULSBXEQGDHQ-LBPRGKRZSA-N 2 1 284.856 3.538 20 0 CHADMP CCC[N@@H+]1C[C@@H]2C[NH+](CCCC3CCCCC3)C[C@@H]2C1 ZINC001207608426 1133831040 /nfs/dbraw/zinc/83/10/40/1133831040.db2.gz NPFBJWPRQUEDKK-HDICACEKSA-N 2 1 278.484 3.621 20 0 CHADMP CCC[NH+]1C[C@@H]2C[N@@H+](CCCC3CCCCC3)C[C@@H]2C1 ZINC001207608426 1133831043 /nfs/dbraw/zinc/83/10/43/1133831043.db2.gz NPFBJWPRQUEDKK-HDICACEKSA-N 2 1 278.484 3.621 20 0 CHADMP CCC[NH+]1C[C@@H]2C[N@H+](CCCC3CCCCC3)C[C@@H]2C1 ZINC001207608426 1133831047 /nfs/dbraw/zinc/83/10/47/1133831047.db2.gz NPFBJWPRQUEDKK-HDICACEKSA-N 2 1 278.484 3.621 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)C[C@H](C)c2ccccc2)CC1 ZINC001207913212 1133862633 /nfs/dbraw/zinc/86/26/33/1133862633.db2.gz HEFPWETVMDZHIJ-KRWDZBQOSA-N 2 1 288.479 3.986 20 0 CHADMP C[NH+]1CCC(C)(C[N@H+]2Cc3ccccc3C(C)(C)C2)CC1 ZINC001208109249 1133876492 /nfs/dbraw/zinc/87/64/92/1133876492.db2.gz MIOISRDXSROZPX-UHFFFAOYSA-N 2 1 286.463 3.512 20 0 CHADMP Cc1ccccc1[C@@H]1CCC[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208109345 1133876542 /nfs/dbraw/zinc/87/65/42/1133876542.db2.gz JUHTYSZDQUTBOO-SFHVURJKSA-N 2 1 286.463 3.864 20 0 CHADMP C[N@@H+](Cc1ccccc1Cl)CC1(C)CC[NH+](C)CC1 ZINC001208107632 1133876685 /nfs/dbraw/zinc/87/66/85/1133876685.db2.gz XGFYGMWUFBMPEF-UHFFFAOYSA-N 2 1 280.843 3.504 20 0 CHADMP C[C@H]1c2ccccc2CC[N@@H+]1CC1(C[NH+](C)C)CCCC1 ZINC001208184456 1133901972 /nfs/dbraw/zinc/90/19/72/1133901972.db2.gz LLNPDWXPVBCBAL-INIZCTEOSA-N 2 1 286.463 3.728 20 0 CHADMP C[C@@H]1Cc2ccccc2C[N@H+]1CC1(C[NH+](C)C)CCCC1 ZINC001208187811 1133902428 /nfs/dbraw/zinc/90/24/28/1133902428.db2.gz PBGZVGZYMPYSRX-MRXNPFEDSA-N 2 1 286.463 3.555 20 0 CHADMP CC/C=C\CCCCC[N@H+](C)C1CC[NH+](CC)CC1 ZINC001208194215 1133904148 /nfs/dbraw/zinc/90/41/48/1133904148.db2.gz NZCINPJYBZXVHY-SREVYHEPSA-N 2 1 266.473 3.929 20 0 CHADMP CC/C=C\CCCCC[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001208194215 1133904152 /nfs/dbraw/zinc/90/41/52/1133904152.db2.gz NZCINPJYBZXVHY-SREVYHEPSA-N 2 1 266.473 3.929 20 0 CHADMP CC/C=C\CCCCC[NH+]1CCC([NH+]2CCC2)CC1 ZINC001208195768 1133904541 /nfs/dbraw/zinc/90/45/41/1133904541.db2.gz FFEWRLGNCQHIQD-ARJAWSKDSA-N 2 1 264.457 3.683 20 0 CHADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@H]2c2ccccc2Cl)C1 ZINC001208610196 1133918562 /nfs/dbraw/zinc/91/85/62/1133918562.db2.gz ZRIOCKRBWGIUNX-YOEHRIQHSA-N 2 1 292.854 3.819 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@H]2c2ccccc2Cl)C1 ZINC001208610196 1133918566 /nfs/dbraw/zinc/91/85/66/1133918566.db2.gz ZRIOCKRBWGIUNX-YOEHRIQHSA-N 2 1 292.854 3.819 20 0 CHADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@H]2c2ccccc2Cl)C1 ZINC001208610196 1133918570 /nfs/dbraw/zinc/91/85/70/1133918570.db2.gz ZRIOCKRBWGIUNX-YOEHRIQHSA-N 2 1 292.854 3.819 20 0 CHADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@H]2c2ccccc2Cl)C1 ZINC001208610196 1133918574 /nfs/dbraw/zinc/91/85/74/1133918574.db2.gz ZRIOCKRBWGIUNX-YOEHRIQHSA-N 2 1 292.854 3.819 20 0 CHADMP CN1CCC[C@H](C[N@H+]2CCCC[C@H]2c2ccccc2F)C1 ZINC001208608232 1133919102 /nfs/dbraw/zinc/91/91/02/1133919102.db2.gz PBMNXEUAPVLCCT-YJBOKZPZSA-N 2 1 290.426 3.695 20 0 CHADMP C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2c2ccccc2F)C1 ZINC001208608232 1133919114 /nfs/dbraw/zinc/91/91/14/1133919114.db2.gz PBMNXEUAPVLCCT-YJBOKZPZSA-N 2 1 290.426 3.695 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2c2ccccc2F)C1 ZINC001208608232 1133919118 /nfs/dbraw/zinc/91/91/18/1133919118.db2.gz PBMNXEUAPVLCCT-YJBOKZPZSA-N 2 1 290.426 3.695 20 0 CHADMP C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2c2ccccc2F)C1 ZINC001208608232 1133919121 /nfs/dbraw/zinc/91/91/21/1133919121.db2.gz PBMNXEUAPVLCCT-YJBOKZPZSA-N 2 1 290.426 3.695 20 0 CHADMP C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2c2ccccc2F)C1 ZINC001208608232 1133919123 /nfs/dbraw/zinc/91/91/23/1133919123.db2.gz PBMNXEUAPVLCCT-YJBOKZPZSA-N 2 1 290.426 3.695 20 0 CHADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H]2c2ccccc2F)CC1 ZINC001208600008 1133919361 /nfs/dbraw/zinc/91/93/61/1133919361.db2.gz OFFWJYXQFAOLCQ-SFHVURJKSA-N 2 1 290.426 3.695 20 0 CHADMP Cc1cccc(C[NH+](C[C@H]2CCC[N@@H+](C)C2)C2CC2)c1C ZINC001208619565 1133919687 /nfs/dbraw/zinc/91/96/87/1133919687.db2.gz YGVBIFSXOOKDJZ-KRWDZBQOSA-N 2 1 286.463 3.610 20 0 CHADMP Cc1cccc(C[NH+](C[C@H]2CCC[N@H+](C)C2)C2CC2)c1C ZINC001208619565 1133919692 /nfs/dbraw/zinc/91/96/92/1133919692.db2.gz YGVBIFSXOOKDJZ-KRWDZBQOSA-N 2 1 286.463 3.610 20 0 CHADMP Cc1cccc(C[N@@H+](C[C@H]2CCC[NH+](C)C2)C2CC2)c1C ZINC001208619565 1133919695 /nfs/dbraw/zinc/91/96/95/1133919695.db2.gz YGVBIFSXOOKDJZ-KRWDZBQOSA-N 2 1 286.463 3.610 20 0 CHADMP Cc1cccc(C[N@H+](C[C@H]2CCC[NH+](C)C2)C2CC2)c1C ZINC001208619565 1133919698 /nfs/dbraw/zinc/91/96/98/1133919698.db2.gz YGVBIFSXOOKDJZ-KRWDZBQOSA-N 2 1 286.463 3.610 20 0 CHADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2c2cccc(Cl)c2)C1 ZINC001208618522 1133920045 /nfs/dbraw/zinc/92/00/45/1133920045.db2.gz XUQWISYWTLKKQC-WMLDXEAASA-N 2 1 292.854 3.819 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2c2cccc(Cl)c2)C1 ZINC001208618522 1133920052 /nfs/dbraw/zinc/92/00/52/1133920052.db2.gz XUQWISYWTLKKQC-WMLDXEAASA-N 2 1 292.854 3.819 20 0 CHADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)C1 ZINC001208618522 1133920057 /nfs/dbraw/zinc/92/00/57/1133920057.db2.gz XUQWISYWTLKKQC-WMLDXEAASA-N 2 1 292.854 3.819 20 0 CHADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)C1 ZINC001208618522 1133920061 /nfs/dbraw/zinc/92/00/61/1133920061.db2.gz XUQWISYWTLKKQC-WMLDXEAASA-N 2 1 292.854 3.819 20 0 CHADMP CC[NH+]1CCC(C[N@@H+](C)Cc2cccc(Cl)c2)CC1 ZINC001208600819 1133920232 /nfs/dbraw/zinc/92/02/32/1133920232.db2.gz XDRFSUAAVRJCRH-UHFFFAOYSA-N 2 1 280.843 3.504 20 0 CHADMP C(C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1)C1CCCC1 ZINC001208695387 1133928507 /nfs/dbraw/zinc/92/85/07/1133928507.db2.gz PFTUJGLKAPXFKN-SFHVURJKSA-N 2 1 278.484 3.907 20 0 CHADMP CC/C=C\CC[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001208730255 1133937523 /nfs/dbraw/zinc/93/75/23/1133937523.db2.gz SAJWNVXOPNNXDE-PPPANMTLSA-N 2 1 264.457 3.682 20 0 CHADMP CC/C=C\CC[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001208730255 1133937526 /nfs/dbraw/zinc/93/75/26/1133937526.db2.gz SAJWNVXOPNNXDE-PPPANMTLSA-N 2 1 264.457 3.682 20 0 CHADMP CC/C=C\CC[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001208730255 1133937529 /nfs/dbraw/zinc/93/75/29/1133937529.db2.gz SAJWNVXOPNNXDE-PPPANMTLSA-N 2 1 264.457 3.682 20 0 CHADMP C[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208928336 1133963121 /nfs/dbraw/zinc/96/31/21/1133963121.db2.gz FXFCLFLTNBDWDW-HKUYNNGSSA-N 2 1 286.463 3.631 20 0 CHADMP CC[N@@H+](C[C@H]1CCCN(Cc2ccccc2)C1)C(C)C ZINC001208928774 1133963397 /nfs/dbraw/zinc/96/33/97/1133963397.db2.gz KZYBYAHIFIZBIM-SFHVURJKSA-N 2 1 274.452 3.629 20 0 CHADMP CC[N@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)C(C)C ZINC001208928774 1133963399 /nfs/dbraw/zinc/96/33/99/1133963399.db2.gz KZYBYAHIFIZBIM-SFHVURJKSA-N 2 1 274.452 3.629 20 0 CHADMP CC[N@@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)C(C)C ZINC001208928774 1133963401 /nfs/dbraw/zinc/96/34/01/1133963401.db2.gz KZYBYAHIFIZBIM-SFHVURJKSA-N 2 1 274.452 3.629 20 0 CHADMP CC[NH+](C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(C)C ZINC001208928774 1133963403 /nfs/dbraw/zinc/96/34/03/1133963403.db2.gz KZYBYAHIFIZBIM-SFHVURJKSA-N 2 1 274.452 3.629 20 0 CHADMP CC[NH+](C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC001208928774 1133963404 /nfs/dbraw/zinc/96/34/04/1133963404.db2.gz KZYBYAHIFIZBIM-SFHVURJKSA-N 2 1 274.452 3.629 20 0 CHADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001208950370 1133965106 /nfs/dbraw/zinc/96/51/06/1133965106.db2.gz SNYQSENBYGWFTL-ZHALLVOQSA-N 2 1 286.463 3.629 20 0 CHADMP C[C@@H]1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001208950370 1133965109 /nfs/dbraw/zinc/96/51/09/1133965109.db2.gz SNYQSENBYGWFTL-ZHALLVOQSA-N 2 1 286.463 3.629 20 0 CHADMP C[C@@H]1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001208950370 1133965113 /nfs/dbraw/zinc/96/51/13/1133965113.db2.gz SNYQSENBYGWFTL-ZHALLVOQSA-N 2 1 286.463 3.629 20 0 CHADMP C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208947490 1133965688 /nfs/dbraw/zinc/96/56/88/1133965688.db2.gz KVPLJBBVJPKEKS-SCTDSRPQSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208947490 1133965692 /nfs/dbraw/zinc/96/56/92/1133965692.db2.gz KVPLJBBVJPKEKS-SCTDSRPQSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H]1CCC[C@H](C)[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208947490 1133965696 /nfs/dbraw/zinc/96/56/96/1133965696.db2.gz KVPLJBBVJPKEKS-SCTDSRPQSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H]1CCC[C@H](C)[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208947490 1133965697 /nfs/dbraw/zinc/96/56/97/1133965697.db2.gz KVPLJBBVJPKEKS-SCTDSRPQSA-N 2 1 286.463 3.771 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCC[C@@H]4CCC[C@H]43)C2)cc1 ZINC001208954596 1133967194 /nfs/dbraw/zinc/96/71/94/1133967194.db2.gz WOKKQFIIROXDGB-SLFFLAALSA-N 2 1 298.474 3.773 20 0 CHADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CCC[C@@H]4CCC[C@H]43)C2)cc1 ZINC001208954596 1133967197 /nfs/dbraw/zinc/96/71/97/1133967197.db2.gz WOKKQFIIROXDGB-SLFFLAALSA-N 2 1 298.474 3.773 20 0 CHADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CCC[C@@H]4CCC[C@H]43)C2)cc1 ZINC001208954596 1133967202 /nfs/dbraw/zinc/96/72/02/1133967202.db2.gz WOKKQFIIROXDGB-SLFFLAALSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@H]1CCCCC[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208952419 1133967628 /nfs/dbraw/zinc/96/76/28/1133967628.db2.gz SCGMFHOKWXOPEB-PKOBYXMFSA-N 2 1 286.463 3.773 20 0 CHADMP C[C@H]1CCCCC[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208952419 1133967635 /nfs/dbraw/zinc/96/76/35/1133967635.db2.gz SCGMFHOKWXOPEB-PKOBYXMFSA-N 2 1 286.463 3.773 20 0 CHADMP C[C@H]1CCCCC[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208952419 1133967637 /nfs/dbraw/zinc/96/76/37/1133967637.db2.gz SCGMFHOKWXOPEB-PKOBYXMFSA-N 2 1 286.463 3.773 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC34CC4)C2)cc1 ZINC001208954089 1133967698 /nfs/dbraw/zinc/96/76/98/1133967698.db2.gz UHSFDARPBHDBDW-GOSISDBHSA-N 2 1 284.447 3.527 20 0 CHADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CCCCC34CC4)C2)cc1 ZINC001208954089 1133967704 /nfs/dbraw/zinc/96/77/04/1133967704.db2.gz UHSFDARPBHDBDW-GOSISDBHSA-N 2 1 284.447 3.527 20 0 CHADMP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CCCCC34CC4)C2)cc1 ZINC001208954089 1133967709 /nfs/dbraw/zinc/96/77/09/1133967709.db2.gz UHSFDARPBHDBDW-GOSISDBHSA-N 2 1 284.447 3.527 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC[C@@H]4CCC[C@H]4C3)C2)cc1 ZINC001208943219 1133967770 /nfs/dbraw/zinc/96/77/70/1133967770.db2.gz SAPYMXCAWBJYSB-UFYCRDLUSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@@H]4CCC[C@H]4C3)C2)cc1 ZINC001208943219 1133967774 /nfs/dbraw/zinc/96/77/74/1133967774.db2.gz SAPYMXCAWBJYSB-UFYCRDLUSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@@H]4CCC[C@H]4C3)C2)cc1 ZINC001208943219 1133967780 /nfs/dbraw/zinc/96/77/80/1133967780.db2.gz SAPYMXCAWBJYSB-UFYCRDLUSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3C[C@@H]4CCC[C@@H]4C3)C2)cc1 ZINC001208933154 1133968216 /nfs/dbraw/zinc/96/82/16/1133968216.db2.gz UCYBXQLZCOWFJF-SLFFLAALSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3C[C@@H]4CCC[C@@H]4C3)C2)cc1 ZINC001208933154 1133968219 /nfs/dbraw/zinc/96/82/19/1133968219.db2.gz UCYBXQLZCOWFJF-SLFFLAALSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3C[C@@H]4CCC[C@@H]4C3)C2)cc1 ZINC001208933154 1133968223 /nfs/dbraw/zinc/96/82/23/1133968223.db2.gz UCYBXQLZCOWFJF-SLFFLAALSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CC4CCC(CC4)C3)C2)cc1 ZINC001208955711 1133968532 /nfs/dbraw/zinc/96/85/32/1133968532.db2.gz FBLRPKFKJDTPPU-SOAGJPPSSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3C4CCCC3CCC4)C2)cc1 ZINC001208957352 1133969262 /nfs/dbraw/zinc/96/92/62/1133969262.db2.gz KQMVPHSZFIQGPK-HDYDNRTBSA-N 2 1 298.474 3.916 20 0 CHADMP CCC[N@@H+](CC(C)C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208957316 1133969731 /nfs/dbraw/zinc/96/97/31/1133969731.db2.gz KHLOQNVVPDMXJA-IBGZPJMESA-N 2 1 288.479 3.877 20 0 CHADMP CCC[NH+](CC(C)C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208957316 1133969735 /nfs/dbraw/zinc/96/97/35/1133969735.db2.gz KHLOQNVVPDMXJA-IBGZPJMESA-N 2 1 288.479 3.877 20 0 CHADMP CCC[NH+](CC(C)C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208957316 1133969738 /nfs/dbraw/zinc/96/97/38/1133969738.db2.gz KHLOQNVVPDMXJA-IBGZPJMESA-N 2 1 288.479 3.877 20 0 CHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C[C@H]3C[C@@H]3C)C[C@@H]21 ZINC001209415015 1134015294 /nfs/dbraw/zinc/01/52/94/1134015294.db2.gz ODTANRJFLRVJLO-DOKOSKEHSA-N 2 1 298.474 3.753 20 0 CHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](C[C@H]3C[C@@H]3C)C[C@@H]21 ZINC001209415015 1134015299 /nfs/dbraw/zinc/01/52/99/1134015299.db2.gz ODTANRJFLRVJLO-DOKOSKEHSA-N 2 1 298.474 3.753 20 0 CHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](C[C@H]3C[C@@H]3C)C[C@@H]21 ZINC001209415015 1134015304 /nfs/dbraw/zinc/01/53/04/1134015304.db2.gz ODTANRJFLRVJLO-DOKOSKEHSA-N 2 1 298.474 3.753 20 0 CHADMP Cc1ccc(C[N@@H+](C)CCC[NH+]2CCCCC2)cc1C ZINC001209452088 1134025073 /nfs/dbraw/zinc/02/50/73/1134025073.db2.gz BSUSATNKWYXJCJ-UHFFFAOYSA-N 2 1 274.452 3.611 20 0 CHADMP CSc1ccccc1[C@H]1CCC[N@@H+]1Cc1c[nH+]ccc1N ZINC001209737922 1134054774 /nfs/dbraw/zinc/05/47/74/1134054774.db2.gz UGRWENQVJNAMOY-MRXNPFEDSA-N 2 1 299.443 3.553 20 0 CHADMP CSc1ccccc1[C@H]1CCC[N@H+]1Cc1c[nH+]ccc1N ZINC001209737922 1134054780 /nfs/dbraw/zinc/05/47/80/1134054780.db2.gz UGRWENQVJNAMOY-MRXNPFEDSA-N 2 1 299.443 3.553 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2cccc3c4ccccc4oc32)CC[NH2+]1 ZINC001210497880 1134230356 /nfs/dbraw/zinc/23/03/56/1134230356.db2.gz OWZMMJBWJAJTBW-AWEZNQCLSA-N 2 1 294.398 3.770 20 0 CHADMP CCCC[C@@H](C)Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001218224024 1135071780 /nfs/dbraw/zinc/07/17/80/1135071780.db2.gz ZBEMBBQMISWWMF-OAHLLOKOSA-N 2 1 290.451 3.567 20 0 CHADMP C[N@@H+](CC1CC[NH2+]CC1)C(c1ccccc1)c1ccccc1 ZINC000317622993 1135173867 /nfs/dbraw/zinc/17/38/67/1135173867.db2.gz VFRGFJNHEPBFOE-UHFFFAOYSA-N 2 1 294.442 3.707 20 0 CHADMP Fc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c2ccccc12 ZINC001222149040 1135199982 /nfs/dbraw/zinc/19/99/82/1135199982.db2.gz VNNRJXHVDSNHCR-LJQANCHMSA-N 2 1 298.405 3.554 20 0 CHADMP Cc1ccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222161410 1135202865 /nfs/dbraw/zinc/20/28/65/1135202865.db2.gz NVCUUZGRNZRDJP-IBGZPJMESA-N 2 1 286.463 3.741 20 0 CHADMP Cc1ccccc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222162093 1135203005 /nfs/dbraw/zinc/20/30/05/1135203005.db2.gz XSHJUBLTHFLXPT-LJQANCHMSA-N 2 1 286.463 3.741 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222191746 1135205764 /nfs/dbraw/zinc/20/57/64/1135205764.db2.gz OQODUXNPNMWFRI-SJORKVTESA-N 2 1 264.457 3.587 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222191746 1135205768 /nfs/dbraw/zinc/20/57/68/1135205768.db2.gz OQODUXNPNMWFRI-SJORKVTESA-N 2 1 264.457 3.587 20 0 CHADMP C(CC1CCCCC1)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222231096 1135210447 /nfs/dbraw/zinc/21/04/47/1135210447.db2.gz JAYXHEXXQAYGQB-KRWDZBQOSA-N 2 1 264.457 3.565 20 0 CHADMP CC1=CC[C@H](CC[N@H+]2CCC[C@]23CCC[NH2+]C3)C1(C)C ZINC001222230720 1135211216 /nfs/dbraw/zinc/21/12/16/1135211216.db2.gz CLCSMWHVEIMCFS-AEFFLSMTSA-N 2 1 276.468 3.587 20 0 CHADMP CC(C)c1ccc(CC[N@@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222232909 1135211272 /nfs/dbraw/zinc/21/12/72/1135211272.db2.gz YSOKUAZPJUDJQT-LJQANCHMSA-N 2 1 286.463 3.571 20 0 CHADMP CC(C)c1ccc(CC[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222232909 1135211275 /nfs/dbraw/zinc/21/12/75/1135211275.db2.gz YSOKUAZPJUDJQT-LJQANCHMSA-N 2 1 286.463 3.571 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222231637 1135211567 /nfs/dbraw/zinc/21/15/67/1135211567.db2.gz OSWAKPFLMQYDIP-DLBZAZTESA-N 2 1 264.457 3.587 20 0 CHADMP CC(C)c1ccccc1C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222250017 1135214265 /nfs/dbraw/zinc/21/42/65/1135214265.db2.gz YXXMLFXRFVZGQA-GOSISDBHSA-N 2 1 272.436 3.528 20 0 CHADMP CC(C)c1ccccc1C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222250017 1135214266 /nfs/dbraw/zinc/21/42/66/1135214266.db2.gz YXXMLFXRFVZGQA-GOSISDBHSA-N 2 1 272.436 3.528 20 0 CHADMP CC1=CC[C@H](CC[NH+]2CCC3(CCCC[NH2+]3)CC2)C1(C)C ZINC001222288356 1135218419 /nfs/dbraw/zinc/21/84/19/1135218419.db2.gz XSPAJZPRUYBGDM-QGZVFWFLSA-N 2 1 290.495 3.977 20 0 CHADMP c1cc(C2CC2)ccc1C[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001222298469 1135219593 /nfs/dbraw/zinc/21/95/93/1135219593.db2.gz VHEVGZAEQHWZJA-UHFFFAOYSA-N 2 1 284.447 3.672 20 0 CHADMP C(C[N@H+]1CCC[C@@]12CCC[NH2+]CC2)C1CCCCC1 ZINC001222309234 1135223185 /nfs/dbraw/zinc/22/31/85/1135223185.db2.gz OPPQNGPJSVTNCT-QGZVFWFLSA-N 2 1 264.457 3.565 20 0 CHADMP CCCc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)s1 ZINC001222316820 1135224970 /nfs/dbraw/zinc/22/49/70/1135224970.db2.gz YXQVTXCQYPVFFK-KRWDZBQOSA-N 2 1 292.492 3.809 20 0 CHADMP Cc1ccc(Cl)c(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222320757 1135225274 /nfs/dbraw/zinc/22/52/74/1135225274.db2.gz MQABMWGTWKAHCN-QGZVFWFLSA-N 2 1 292.854 3.757 20 0 CHADMP c1ccc(-c2ccccc2C[NH+]2CC3(C2)CCC[NH2+]C3)cc1 ZINC001222335246 1135228083 /nfs/dbraw/zinc/22/80/83/1135228083.db2.gz BJDSVCTWDBTMJV-UHFFFAOYSA-N 2 1 292.426 3.539 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222422214 1135240921 /nfs/dbraw/zinc/24/09/21/1135240921.db2.gz SVNOOJGNRZNGMD-QZTJIDSGSA-N 2 1 278.484 3.977 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222422214 1135240920 /nfs/dbraw/zinc/24/09/20/1135240920.db2.gz SVNOOJGNRZNGMD-QZTJIDSGSA-N 2 1 278.484 3.977 20 0 CHADMP c1ccc([C@H]2C[N@H+](CCCC3CCCC3)CC23C[NH2+]C3)cc1 ZINC001222596535 1135254329 /nfs/dbraw/zinc/25/43/29/1135254329.db2.gz YQXKXSJFIOWSAU-LJQANCHMSA-N 2 1 298.474 3.646 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222623833 1135256001 /nfs/dbraw/zinc/25/60/01/1135256001.db2.gz NWBNUPTZVUNVQB-OKZBNKHCSA-N 2 1 278.484 3.690 20 0 CHADMP c1csc(-c2ccc(C[N@H+]3CC[C@H]4C[NH2+]CC[C@H]43)cc2)c1 ZINC001222620305 1135256757 /nfs/dbraw/zinc/25/67/57/1135256757.db2.gz LZEASNBNWVWERI-DLBZAZTESA-N 2 1 298.455 3.599 20 0 CHADMP CC1=CC[C@H](CC[NH+]2CCC3(CCC[NH2+]3)CC2)C1(C)C ZINC001226784049 1135741470 /nfs/dbraw/zinc/74/14/70/1135741470.db2.gz JNHMSDWKTFXUCX-MRXNPFEDSA-N 2 1 276.468 3.587 20 0 CHADMP CCCCc1ccc(C[NH+]2CCC3(CCC[NH2+]3)CC2)s1 ZINC001226785306 1135741750 /nfs/dbraw/zinc/74/17/50/1135741750.db2.gz PUXKNBHQESQYJC-UHFFFAOYSA-N 2 1 292.492 3.809 20 0 CHADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1csc(Cl)c1 ZINC000230407501 260184249 /nfs/dbraw/zinc/18/42/49/260184249.db2.gz BDWNODFURYTGSC-LBPRGKRZSA-N 2 1 286.872 3.928 20 0 CHADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc3occc3c2)C1 ZINC000347877383 529862066 /nfs/dbraw/zinc/86/20/66/529862066.db2.gz KYPUNIRABADMOU-QGZVFWFLSA-N 2 1 298.430 3.597 20 0 CHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc3occc3c2)C1 ZINC000347877383 529862068 /nfs/dbraw/zinc/86/20/68/529862068.db2.gz KYPUNIRABADMOU-QGZVFWFLSA-N 2 1 298.430 3.597 20 0 CHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc3occc3c2)C1 ZINC000347877383 529862069 /nfs/dbraw/zinc/86/20/69/529862069.db2.gz KYPUNIRABADMOU-QGZVFWFLSA-N 2 1 298.430 3.597 20 0 CHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc3occc3c2)C1 ZINC000347877383 529862071 /nfs/dbraw/zinc/86/20/71/529862071.db2.gz KYPUNIRABADMOU-QGZVFWFLSA-N 2 1 298.430 3.597 20 0 CHADMP CC1CCC([NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000573909837 334975987 /nfs/dbraw/zinc/97/59/87/334975987.db2.gz LKAYBBDZZFQGON-PREGVCBESA-N 2 1 266.473 3.665 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2CCC3(CCCC3)CC2)CC[N@H+]1C ZINC000129451824 260386884 /nfs/dbraw/zinc/38/68/84/260386884.db2.gz BBGYNAAETKTEJY-GOEBONIOSA-N 2 1 264.457 3.562 20 0 CHADMP CCCC[C@H](CC)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000514088513 262185332 /nfs/dbraw/zinc/18/53/32/262185332.db2.gz LYSRCWLHOKGHFS-MWDXBVQZSA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000221783452 262296273 /nfs/dbraw/zinc/29/62/73/262296273.db2.gz RBEZZJHEMNHHIG-UHFFFAOYSA-N 2 1 276.468 3.804 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@H](C)c2cc(C)ccc2OC)CC1 ZINC000020189891 171056909 /nfs/dbraw/zinc/05/69/09/171056909.db2.gz PTPJJJNLPNMKGF-OAHLLOKOSA-N 2 1 290.451 3.529 20 0 CHADMP c1ccc(CC[NH+]2CCC([NH2+]C3CCCCC3)CC2)cc1 ZINC000037408444 173185503 /nfs/dbraw/zinc/18/55/03/173185503.db2.gz UERKRQZLSVQFND-UHFFFAOYSA-N 2 1 286.463 3.616 20 0 CHADMP CCC(C)(C)C1CCC([N@H+]2CC[C@@H](C[NH2+]C)C2)CC1 ZINC000071142142 176040195 /nfs/dbraw/zinc/04/01/95/176040195.db2.gz ROPBJJMRBUTBQK-FHERZECASA-N 2 1 266.473 3.523 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1Cl ZINC000447734717 260123581 /nfs/dbraw/zinc/12/35/81/260123581.db2.gz YNVAFEWLKDZFFA-WBVHZDCISA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000447734717 260123582 /nfs/dbraw/zinc/12/35/82/260123582.db2.gz YNVAFEWLKDZFFA-WBVHZDCISA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1Cl ZINC000447734717 260123584 /nfs/dbraw/zinc/12/35/84/260123584.db2.gz YNVAFEWLKDZFFA-WBVHZDCISA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1Cl ZINC000447734717 260123586 /nfs/dbraw/zinc/12/35/86/260123586.db2.gz YNVAFEWLKDZFFA-WBVHZDCISA-N 2 1 292.854 3.565 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2CCCCc3ccccc32)CC1 ZINC000038097899 260125701 /nfs/dbraw/zinc/12/57/01/260125701.db2.gz VRWLLYBNZHOMHG-GOSISDBHSA-N 2 1 272.436 3.528 20 0 CHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000312577289 260156614 /nfs/dbraw/zinc/15/66/14/260156614.db2.gz VPFSQDDYNLNZRF-JSGCOSHPSA-N 2 1 274.408 3.590 20 0 CHADMP CC[N@@H+](CC1CC[NH2+]CC1)[C@H](C)c1cc2ccccc2o1 ZINC000094011150 260342690 /nfs/dbraw/zinc/34/26/90/260342690.db2.gz REOMFVWZZMWHLA-CQSZACIVSA-N 2 1 286.419 3.815 20 0 CHADMP c1coc([C@@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2)c1 ZINC000127895305 260370036 /nfs/dbraw/zinc/37/00/36/260370036.db2.gz NUNBYGIQWQFMAS-SCTDSRPQSA-N 2 1 296.414 3.585 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2CCC3(CCCC3)CC2)CC[N@@H+]1C ZINC000129451824 260386882 /nfs/dbraw/zinc/38/68/82/260386882.db2.gz BBGYNAAETKTEJY-GOEBONIOSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2CCC3(CCCC3)CC2)CC[N@@H+]1C ZINC000129452021 260387189 /nfs/dbraw/zinc/38/71/89/260387189.db2.gz BBGYNAAETKTEJY-ZBFHGGJFSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2CCC3(CCCC3)CC2)CC[N@H+]1C ZINC000129452021 260387190 /nfs/dbraw/zinc/38/71/90/260387190.db2.gz BBGYNAAETKTEJY-ZBFHGGJFSA-N 2 1 264.457 3.562 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C ZINC000130172947 260392832 /nfs/dbraw/zinc/39/28/32/260392832.db2.gz MNAKRGZPBCIJMU-RYQLBKOJSA-N 2 1 272.436 3.581 20 0 CHADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1sc2ccccc2c1Cl ZINC000131634248 260406937 /nfs/dbraw/zinc/40/69/37/260406937.db2.gz ZPEPQFKXSXQAOA-MNOVXSKESA-N 2 1 294.851 3.724 20 0 CHADMP c1ccc(CCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157287892 261143843 /nfs/dbraw/zinc/14/38/43/261143843.db2.gz RNWKFJYIZKLLBP-IBGZPJMESA-N 2 1 286.463 3.570 20 0 CHADMP C[C@@H](CNc1cc[nH+]cc1Cl)[N@H+](C)Cc1ccccc1 ZINC000301533456 261336377 /nfs/dbraw/zinc/33/63/77/261336377.db2.gz SQJMKSLUMYEUML-ZDUSSCGKSA-N 2 1 289.810 3.667 20 0 CHADMP C[C@@H](CNc1cc[nH+]cc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000301533456 261336379 /nfs/dbraw/zinc/33/63/79/261336379.db2.gz SQJMKSLUMYEUML-ZDUSSCGKSA-N 2 1 289.810 3.667 20 0 CHADMP C[C@H](CNc1cc[nH+]cc1Cl)[N@H+](C)Cc1ccccc1 ZINC000301533455 261336527 /nfs/dbraw/zinc/33/65/27/261336527.db2.gz SQJMKSLUMYEUML-CYBMUJFWSA-N 2 1 289.810 3.667 20 0 CHADMP C[C@H](CNc1cc[nH+]cc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000301533455 261336529 /nfs/dbraw/zinc/33/65/29/261336529.db2.gz SQJMKSLUMYEUML-CYBMUJFWSA-N 2 1 289.810 3.667 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000165630868 261373762 /nfs/dbraw/zinc/37/37/62/261373762.db2.gz ZIBOTMGEPOQLFN-ROUUACIJSA-N 2 1 283.419 3.508 20 0 CHADMP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(Cl)nc1 ZINC000183953997 262001728 /nfs/dbraw/zinc/00/17/28/262001728.db2.gz UJSANUYLHDADLO-CYBMUJFWSA-N 2 1 295.858 3.508 20 0 CHADMP CCSc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000186241859 262085600 /nfs/dbraw/zinc/08/56/00/262085600.db2.gz OUADMEQOEQFVEZ-GDBMZVCRSA-N 2 1 292.492 3.713 20 0 CHADMP CCSc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000186241859 262085601 /nfs/dbraw/zinc/08/56/01/262085601.db2.gz OUADMEQOEQFVEZ-GDBMZVCRSA-N 2 1 292.492 3.713 20 0 CHADMP CCSc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000186241859 262085603 /nfs/dbraw/zinc/08/56/03/262085603.db2.gz OUADMEQOEQFVEZ-GDBMZVCRSA-N 2 1 292.492 3.713 20 0 CHADMP CCSc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000186241859 262085604 /nfs/dbraw/zinc/08/56/04/262085604.db2.gz OUADMEQOEQFVEZ-GDBMZVCRSA-N 2 1 292.492 3.713 20 0 CHADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000019942867 262207906 /nfs/dbraw/zinc/20/79/06/262207906.db2.gz SEKRVILLOHFASQ-UHFFFAOYSA-N 2 1 288.357 3.527 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccccc2OCC)CC1 ZINC000020189883 262232984 /nfs/dbraw/zinc/23/29/84/262232984.db2.gz IUSGIZWTMZBOCH-OAHLLOKOSA-N 2 1 290.451 3.610 20 0 CHADMP COc1ccc(C)cc1[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000020189288 262233240 /nfs/dbraw/zinc/23/32/40/262233240.db2.gz IKDNNDYCBSARQN-OAHLLOKOSA-N 2 1 290.451 3.527 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCC23CCCC3)CC[N@@H+]1C ZINC000311429852 262249602 /nfs/dbraw/zinc/24/96/02/262249602.db2.gz CMKCGHFNZALTBR-PMPSAXMXSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCC23CCCC3)CC[N@H+]1C ZINC000311429852 262249604 /nfs/dbraw/zinc/24/96/04/262249604.db2.gz CMKCGHFNZALTBR-PMPSAXMXSA-N 2 1 264.457 3.562 20 0 CHADMP CCC(CC)[C@@H]([NH2+]Cc1c[nH]cn1)c1ccccc1 ZINC000054764827 262272747 /nfs/dbraw/zinc/27/27/47/262272747.db2.gz GPZXZZNZMSRLTP-MRXNPFEDSA-N 2 1 257.381 3.677 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000221781871 262296238 /nfs/dbraw/zinc/29/62/38/262296238.db2.gz PYDWCYBMXWGWQI-UHFFFAOYSA-N 2 1 288.357 3.525 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000221781871 262296239 /nfs/dbraw/zinc/29/62/39/262296239.db2.gz PYDWCYBMXWGWQI-UHFFFAOYSA-N 2 1 288.357 3.525 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCSc2ccccc21 ZINC000221912896 262322700 /nfs/dbraw/zinc/32/27/00/262322700.db2.gz KFXJQEARANAWPW-HNNXBMFYSA-N 2 1 278.465 3.543 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCSc2ccccc21 ZINC000221912896 262322701 /nfs/dbraw/zinc/32/27/01/262322701.db2.gz KFXJQEARANAWPW-HNNXBMFYSA-N 2 1 278.465 3.543 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCSc2ccccc21 ZINC000221912841 262323085 /nfs/dbraw/zinc/32/30/85/262323085.db2.gz KFXJQEARANAWPW-OAHLLOKOSA-N 2 1 278.465 3.543 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCSc2ccccc21 ZINC000221912841 262323087 /nfs/dbraw/zinc/32/30/87/262323087.db2.gz KFXJQEARANAWPW-OAHLLOKOSA-N 2 1 278.465 3.543 20 0 CHADMP C[N@H+](CCC[NH2+][C@@H]1CCCc2occc21)C1CCCCC1 ZINC000122213985 262345834 /nfs/dbraw/zinc/34/58/34/262345834.db2.gz NPQDJZDZMRTAAR-QGZVFWFLSA-N 2 1 290.451 3.901 20 0 CHADMP C[N@@H+](CCC[NH2+][C@@H]1CCCc2occc21)C1CCCCC1 ZINC000122213985 262345835 /nfs/dbraw/zinc/34/58/35/262345835.db2.gz NPQDJZDZMRTAAR-QGZVFWFLSA-N 2 1 290.451 3.901 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000319700955 262351054 /nfs/dbraw/zinc/35/10/54/262351054.db2.gz TWZTVUHRUZIFTK-JXFKEZNVSA-N 2 1 294.442 3.783 20 0 CHADMP Cc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c(C)c1 ZINC000021023248 262374186 /nfs/dbraw/zinc/37/41/86/262374186.db2.gz QETQFCSCPFIANV-QGZVFWFLSA-N 2 1 274.452 3.658 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)C1 ZINC000021053724 262375097 /nfs/dbraw/zinc/37/50/97/262375097.db2.gz MDIZDWABVHQUGZ-AEFFLSMTSA-N 2 1 274.452 3.677 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1)C1CC1 ZINC000436295791 262836393 /nfs/dbraw/zinc/83/63/93/262836393.db2.gz SENTUMZYSSAOTD-IRXDYDNUSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2ccc3ccccc3c2)CC[NH2+]1 ZINC000414677394 263030367 /nfs/dbraw/zinc/03/03/67/263030367.db2.gz JBINGTJNEXSGNI-DOTOQJQBSA-N 2 1 282.431 3.660 20 0 CHADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)CC[NH2+]1 ZINC000414677814 263031024 /nfs/dbraw/zinc/03/10/24/263031024.db2.gz PKSCOQLNBFEZBU-CPUCHLNUSA-N 2 1 292.854 3.865 20 0 CHADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]2c2ccccc2Cl)CC[NH2+]1 ZINC000414681841 263031429 /nfs/dbraw/zinc/03/14/29/263031429.db2.gz WUHYYPJNYJPCPA-KEYYUXOJSA-N 2 1 292.854 3.865 20 0 CHADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2csc3ccccc23)CC[NH2+]1 ZINC000414691676 263032867 /nfs/dbraw/zinc/03/28/67/263032867.db2.gz AAKGQXSQSAYXSR-UONOGXRCSA-N 2 1 288.460 3.721 20 0 CHADMP Cc1ccc(C[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C(C)C)s1 ZINC000414699431 263033143 /nfs/dbraw/zinc/03/31/43/263033143.db2.gz YOIWCKKZIJWIDC-ZFWWWQNUSA-N 2 1 280.481 3.655 20 0 CHADMP Cc1ccc(C[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C(C)C)s1 ZINC000414699426 263033174 /nfs/dbraw/zinc/03/31/74/263033174.db2.gz YOIWCKKZIJWIDC-HIFRSBDPSA-N 2 1 280.481 3.655 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000414784211 263046592 /nfs/dbraw/zinc/04/65/92/263046592.db2.gz KQLBQYAVQSIJPF-HSALFYBXSA-N 2 1 298.474 3.572 20 0 CHADMP CC[C@@H](Cc1ccccc1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414855092 263071698 /nfs/dbraw/zinc/07/16/98/263071698.db2.gz WDIKXRWUZSSSSU-ZWKOTPCHSA-N 2 1 274.452 3.505 20 0 CHADMP Cc1cc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc2cccnc12 ZINC000414856038 263072288 /nfs/dbraw/zinc/07/22/88/263072288.db2.gz YAIZENCBQSMYTL-SFHVURJKSA-N 2 1 297.446 3.540 20 0 CHADMP c1cncc(C[NH2+]CCC[NH2+]CCC2CCCCCC2)c1 ZINC000414857969 263073931 /nfs/dbraw/zinc/07/39/31/263073931.db2.gz GWCLZEBTLXZCNA-UHFFFAOYSA-N 2 1 289.467 3.511 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+](C1CC1)[C@H]1CCc2ccccc21 ZINC000340370030 263120019 /nfs/dbraw/zinc/12/00/19/263120019.db2.gz KIDCMCUBBWSWDS-APWZRJJASA-N 2 1 284.447 3.623 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000340370030 263120020 /nfs/dbraw/zinc/12/00/20/263120020.db2.gz KIDCMCUBBWSWDS-APWZRJJASA-N 2 1 284.447 3.623 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000340370030 263120021 /nfs/dbraw/zinc/12/00/21/263120021.db2.gz KIDCMCUBBWSWDS-APWZRJJASA-N 2 1 284.447 3.623 20 0 CHADMP Cc1cc2cc(C[NH2+][C@H]3CC[NH2+]CC3(C)C)oc2cc1C ZINC000414974670 263175857 /nfs/dbraw/zinc/17/58/57/263175857.db2.gz NWSGEHZXVUWSRW-KRWDZBQOSA-N 2 1 286.419 3.527 20 0 CHADMP CCc1ccccc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415084912 263268652 /nfs/dbraw/zinc/26/86/52/263268652.db2.gz PFEOUKHXRSPGME-PMACEKPBSA-N 2 1 294.442 3.832 20 0 CHADMP CC(C)(C)CC[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000187816834 263269948 /nfs/dbraw/zinc/26/99/48/263269948.db2.gz KPSNRJSVHKQDRN-SFHVURJKSA-N 2 1 288.479 3.577 20 0 CHADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000415096625 263273357 /nfs/dbraw/zinc/27/33/57/263273357.db2.gz BUFYCKHCNBBITN-MFKMUULPSA-N 2 1 287.234 3.614 20 0 CHADMP CS[C@H]1CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000425365384 264211269 /nfs/dbraw/zinc/21/12/69/264211269.db2.gz YDHGACBZNLSCMM-SJORKVTESA-N 2 1 292.492 3.510 20 0 CHADMP CC[C@H](C)[N@@H+](C)CCNc1cc[nH+]c2cc(F)ccc12 ZINC000357260157 266268385 /nfs/dbraw/zinc/26/83/85/266268385.db2.gz IALNLRGCHOCQIP-LBPRGKRZSA-N 2 1 275.371 3.516 20 0 CHADMP CC[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cc(C)ccc1OC ZINC000357778838 266359748 /nfs/dbraw/zinc/35/97/48/266359748.db2.gz NZHAWWMAERFIMN-QGZVFWFLSA-N 2 1 290.451 3.530 20 0 CHADMP CC(C)(CNc1cc[nH+]c2ccsc21)C[NH+]1CCCC1 ZINC000357956962 266389431 /nfs/dbraw/zinc/38/94/31/266389431.db2.gz HYMUGELSSUTHSC-UHFFFAOYSA-N 2 1 289.448 3.830 20 0 CHADMP Clc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1Cl ZINC000020552459 267309919 /nfs/dbraw/zinc/30/99/19/267309919.db2.gz SUGQAPBYTYRIMK-UHFFFAOYSA-N 2 1 287.234 3.569 20 0 CHADMP CC(C)Sc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000119221323 267311408 /nfs/dbraw/zinc/31/14/08/267311408.db2.gz QNAJINILQARHMQ-INIZCTEOSA-N 2 1 292.492 3.571 20 0 CHADMP CC(C)Sc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000119221323 267311410 /nfs/dbraw/zinc/31/14/10/267311410.db2.gz QNAJINILQARHMQ-INIZCTEOSA-N 2 1 292.492 3.571 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccsc1 ZINC000178294641 327793518 /nfs/dbraw/zinc/79/35/18/327793518.db2.gz DIQJENLBJPCPGH-ZDUSSCGKSA-N 2 1 278.465 3.806 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(C)cc1Cl ZINC000563252163 328001059 /nfs/dbraw/zinc/00/10/59/328001059.db2.gz MGCOVLASZPJVSA-ZDUSSCGKSA-N 2 1 291.826 3.579 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000563270786 328005668 /nfs/dbraw/zinc/00/56/68/328005668.db2.gz AIFDJUFQKVXSLL-LZLYRXPVSA-N 2 1 288.479 3.921 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3CCCC34CCC4)C2)cc1 ZINC000394754619 328006748 /nfs/dbraw/zinc/00/67/48/328006748.db2.gz AHZDUZYSGFJUDY-MOPGFXCFSA-N 2 1 298.474 3.821 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000563355075 328057591 /nfs/dbraw/zinc/05/75/91/328057591.db2.gz LXYRMOACMNNQGE-CYBMUJFWSA-N 2 1 291.826 3.699 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000563355075 328057592 /nfs/dbraw/zinc/05/75/92/328057592.db2.gz LXYRMOACMNNQGE-CYBMUJFWSA-N 2 1 291.826 3.699 20 0 CHADMP c1ccc([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC[NH+]2CCCC2)cc1 ZINC000563453547 328067531 /nfs/dbraw/zinc/06/75/31/328067531.db2.gz KNYSXGFRUPPGIF-ACDBMABISA-N 2 1 298.474 3.883 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000268849094 328074410 /nfs/dbraw/zinc/07/44/10/328074410.db2.gz XNCBPIRNNREMBW-JTQLQIEISA-N 2 1 298.217 3.849 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000571334971 328109711 /nfs/dbraw/zinc/10/97/11/328109711.db2.gz UCNLCTKZTIUZOI-RDBSUJKOSA-N 2 1 294.405 3.818 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000571334971 328109712 /nfs/dbraw/zinc/10/97/12/328109712.db2.gz UCNLCTKZTIUZOI-RDBSUJKOSA-N 2 1 294.405 3.818 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@@H](C)c2c1cccc2C ZINC000271150733 328195620 /nfs/dbraw/zinc/19/56/20/328195620.db2.gz QJABCIXUZTXYFT-PBHICJAKSA-N 2 1 283.419 3.728 20 0 CHADMP C[C@H]1C[N@@H+](CC2CCC(c3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000414652039 328208291 /nfs/dbraw/zinc/20/82/91/328208291.db2.gz CYLLPXKSRWQUTH-GSHBMFQSSA-N 2 1 286.463 3.630 20 0 CHADMP C[C@H](C[NH3+])[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000414936846 328276457 /nfs/dbraw/zinc/27/64/57/328276457.db2.gz WEOMYOGQVNLMFR-SNVBAGLBSA-N 2 1 280.824 3.505 20 0 CHADMP CC(C)=CC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000531909973 328308360 /nfs/dbraw/zinc/30/83/60/328308360.db2.gz AZENWYDJJNFGGV-KRWDZBQOSA-N 2 1 278.484 3.929 20 0 CHADMP CC(C)c1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000531932190 328320644 /nfs/dbraw/zinc/32/06/44/328320644.db2.gz HFCCGJXROKEBHL-TXPKVOOTSA-N 2 1 288.479 3.671 20 0 CHADMP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC000531958278 328340366 /nfs/dbraw/zinc/34/03/66/328340366.db2.gz BLTZUVWQEZAXGS-MSOLQXFVSA-N 2 1 274.452 3.807 20 0 CHADMP CCc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)s1 ZINC000535069070 328383386 /nfs/dbraw/zinc/38/33/86/328383386.db2.gz QSKPLQWTAUSYKZ-UHFFFAOYSA-N 2 1 280.481 3.615 20 0 CHADMP CCc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)s1 ZINC000535069070 328383387 /nfs/dbraw/zinc/38/33/87/328383387.db2.gz QSKPLQWTAUSYKZ-UHFFFAOYSA-N 2 1 280.481 3.615 20 0 CHADMP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000531993541 328385818 /nfs/dbraw/zinc/38/58/18/328385818.db2.gz BMPVFKSLKFIOHG-XHSDSOJGSA-N 2 1 290.451 3.527 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC(C(C)C)CC2)[C@@H](C)C1 ZINC000531993278 328386022 /nfs/dbraw/zinc/38/60/22/328386022.db2.gz IXDVLAWZFKUVNJ-OTBWCIGPSA-N 2 1 266.473 3.521 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2C)c1 ZINC000532041607 328398003 /nfs/dbraw/zinc/39/80/03/328398003.db2.gz FGVGIFQROJMGSJ-CRAIPNDOSA-N 2 1 274.452 3.805 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCC(C)(C)C2)[C@H](C)C1 ZINC000557828554 327029712 /nfs/dbraw/zinc/02/97/12/327029712.db2.gz WNKGUABHSUAYFY-PMPSAXMXSA-N 2 1 266.473 3.523 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC(C)(C)C2)[C@@H](C)C1 ZINC000557828555 327029721 /nfs/dbraw/zinc/02/97/21/327029721.db2.gz WNKGUABHSUAYFY-XHSDSOJGSA-N 2 1 266.473 3.523 20 0 CHADMP CC[C@@H]1CC[C@@H]1[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000558241882 327080798 /nfs/dbraw/zinc/08/07/98/327080798.db2.gz ROADVFXFZLHYOT-JQHSSLGASA-N 2 1 274.452 3.675 20 0 CHADMP CC(C)SCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000558724386 327117424 /nfs/dbraw/zinc/11/74/24/327117424.db2.gz CVDYIAGMRXJXBJ-QGZVFWFLSA-N 2 1 298.540 3.716 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H]2C=CCCCCC2)C1 ZINC000559105655 327141332 /nfs/dbraw/zinc/14/13/32/327141332.db2.gz GGYKWJKXNQANIX-SJORKVTESA-N 2 1 264.457 3.539 20 0 CHADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000518514071 327170801 /nfs/dbraw/zinc/17/08/01/327170801.db2.gz TVZNCEQFFANWJC-NSHDSACASA-N 2 1 272.795 3.518 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000445207799 327171574 /nfs/dbraw/zinc/17/15/74/327171574.db2.gz CLLJYBUMURKIER-WMLDXEAASA-N 2 1 294.870 3.545 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000445207799 327171576 /nfs/dbraw/zinc/17/15/76/327171576.db2.gz CLLJYBUMURKIER-WMLDXEAASA-N 2 1 294.870 3.545 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000445207799 327171578 /nfs/dbraw/zinc/17/15/78/327171578.db2.gz CLLJYBUMURKIER-WMLDXEAASA-N 2 1 294.870 3.545 20 0 CHADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000316586549 327175778 /nfs/dbraw/zinc/17/57/78/327175778.db2.gz DSQJFDPUVSGDCK-DOTOQJQBSA-N 2 1 296.414 3.791 20 0 CHADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000316586549 327175779 /nfs/dbraw/zinc/17/57/79/327175779.db2.gz DSQJFDPUVSGDCK-DOTOQJQBSA-N 2 1 296.414 3.791 20 0 CHADMP CC(C)C[C@@H](C)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000410378047 327188878 /nfs/dbraw/zinc/18/88/78/327188878.db2.gz KASZIEKUFYVOLV-IAGOWNOFSA-N 2 1 266.473 3.619 20 0 CHADMP C([NH2+][C@@H]1CC[C@@H]1C1CC1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000554376741 327216857 /nfs/dbraw/zinc/21/68/57/327216857.db2.gz VBJLFEVAQZMRAM-KZNAEPCWSA-N 2 1 276.468 3.562 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccccc2)C[C@H]1c1ccccc1 ZINC000559733986 327258897 /nfs/dbraw/zinc/25/88/97/327258897.db2.gz SLDYYIMWHVEGIV-UXHICEINSA-N 2 1 294.442 3.654 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2)C[C@H]1c1ccccc1 ZINC000559733986 327258899 /nfs/dbraw/zinc/25/88/99/327258899.db2.gz SLDYYIMWHVEGIV-UXHICEINSA-N 2 1 294.442 3.654 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC000520955245 327286476 /nfs/dbraw/zinc/28/64/76/327286476.db2.gz GLDWVFSYZZKVFN-QGZVFWFLSA-N 2 1 288.479 3.806 20 0 CHADMP CCC1CC([NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000560245057 327293120 /nfs/dbraw/zinc/29/31/20/327293120.db2.gz GULDSHAGCGVQBE-BJDYSFLHSA-N 2 1 292.492 3.909 20 0 CHADMP CCC1CC([NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000560245057 327293122 /nfs/dbraw/zinc/29/31/22/327293122.db2.gz GULDSHAGCGVQBE-BJDYSFLHSA-N 2 1 292.492 3.909 20 0 CHADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CC=CCC1 ZINC000560541980 327321959 /nfs/dbraw/zinc/32/19/59/327321959.db2.gz FJCMUAXUTQYHHR-AZUAARDMSA-N 2 1 298.474 3.797 20 0 CHADMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000560550150 327323767 /nfs/dbraw/zinc/32/37/67/327323767.db2.gz VAXHAPCYSUGSNW-LAQRGFTBSA-N 2 1 278.484 3.664 20 0 CHADMP CC(C)C[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000560701960 327337523 /nfs/dbraw/zinc/33/75/23/327337523.db2.gz OKHHLONUECRWKV-MJGOQNOKSA-N 2 1 288.479 3.875 20 0 CHADMP CC(C)C[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000560701960 327337524 /nfs/dbraw/zinc/33/75/24/327337524.db2.gz OKHHLONUECRWKV-MJGOQNOKSA-N 2 1 288.479 3.875 20 0 CHADMP CC(C)C[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000560701960 327337527 /nfs/dbraw/zinc/33/75/27/327337527.db2.gz OKHHLONUECRWKV-MJGOQNOKSA-N 2 1 288.479 3.875 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(Cl)cc1Cl ZINC000261571141 327353743 /nfs/dbraw/zinc/35/37/43/327353743.db2.gz KWIFSRHAWWMRIG-BHDSKKPTSA-N 2 1 287.234 3.642 20 0 CHADMP CCCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000151041222 327418551 /nfs/dbraw/zinc/41/85/51/327418551.db2.gz GSPOKNIMLCFDRA-CYBMUJFWSA-N 2 1 257.381 3.631 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000377392783 329013795 /nfs/dbraw/zinc/01/37/95/329013795.db2.gz QOYOGEMQCYSRFI-SJORKVTESA-N 2 1 278.415 3.693 20 0 CHADMP CC(C)[NH+](CCCCC[N@H+](C(C)C)C1CC1)C1CC1 ZINC000172649402 329136292 /nfs/dbraw/zinc/13/62/92/329136292.db2.gz BPNJKGSYVIQDGS-UHFFFAOYSA-N 2 1 266.473 3.902 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccccc1Cl ZINC000177370537 329183506 /nfs/dbraw/zinc/18/35/06/329183506.db2.gz GUFDPUMGCLRYEG-ZDUSSCGKSA-N 2 1 291.826 3.976 20 0 CHADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)CC2CC2)c1 ZINC000177978776 329190908 /nfs/dbraw/zinc/19/09/08/329190908.db2.gz VGJAGAOCUOCZOM-OAHLLOKOSA-N 2 1 274.452 3.805 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)C1CCC1 ZINC000178011892 329191535 /nfs/dbraw/zinc/19/15/35/329191535.db2.gz BYOPVUZLNYWDKS-HNNXBMFYSA-N 2 1 274.452 3.805 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000178698088 329202304 /nfs/dbraw/zinc/20/23/04/329202304.db2.gz DTZLSKSFWGUWQJ-GHMZBOCLSA-N 2 1 297.855 3.893 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CCCC(C)C ZINC000178706308 329202669 /nfs/dbraw/zinc/20/26/69/329202669.db2.gz QSQOYTYWERGVGP-GJZGRUSLSA-N 2 1 265.445 3.632 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000178704110 329202785 /nfs/dbraw/zinc/20/27/85/329202785.db2.gz PKZYVFYWBJBVBQ-KBXCAEBGSA-N 2 1 297.446 3.840 20 0 CHADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)oc3ccccc32)C1 ZINC000180044007 329214769 /nfs/dbraw/zinc/21/47/69/329214769.db2.gz SYEITWNHDMQBTQ-OAHLLOKOSA-N 2 1 286.419 3.515 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)oc3ccccc32)C1 ZINC000180044007 329214770 /nfs/dbraw/zinc/21/47/70/329214770.db2.gz SYEITWNHDMQBTQ-OAHLLOKOSA-N 2 1 286.419 3.515 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)oc3ccccc32)C1 ZINC000180044007 329214772 /nfs/dbraw/zinc/21/47/72/329214772.db2.gz SYEITWNHDMQBTQ-OAHLLOKOSA-N 2 1 286.419 3.515 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1F ZINC000180458913 329217475 /nfs/dbraw/zinc/21/74/75/329217475.db2.gz KCJHEDITHXKRNT-MAUKXSAKSA-N 2 1 292.442 3.987 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1F ZINC000180458913 329217477 /nfs/dbraw/zinc/21/74/77/329217477.db2.gz KCJHEDITHXKRNT-MAUKXSAKSA-N 2 1 292.442 3.987 20 0 CHADMP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccco1 ZINC000183189031 329245462 /nfs/dbraw/zinc/24/54/62/329245462.db2.gz WDXZVXYCOFCCIO-RBSFLKMASA-N 2 1 276.424 3.583 20 0 CHADMP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccco1 ZINC000183189031 329245465 /nfs/dbraw/zinc/24/54/65/329245465.db2.gz WDXZVXYCOFCCIO-RBSFLKMASA-N 2 1 276.424 3.583 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1C[C@H]1C ZINC000321111908 329260659 /nfs/dbraw/zinc/26/06/59/329260659.db2.gz QQRDZKCESXFARP-VYKNZGEYSA-N 2 1 298.474 3.816 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000582994022 329294651 /nfs/dbraw/zinc/29/46/51/329294651.db2.gz GIZDARIMIUXBOC-RDBSUJKOSA-N 2 1 294.405 3.818 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000582994022 329294653 /nfs/dbraw/zinc/29/46/53/329294653.db2.gz GIZDARIMIUXBOC-RDBSUJKOSA-N 2 1 294.405 3.818 20 0 CHADMP CC(C)[N@@H+](C)CCCN[C@@H](C)c1csc(Cl)c1 ZINC000230407763 329367534 /nfs/dbraw/zinc/36/75/34/329367534.db2.gz OJJUVOKCQPQABB-NSHDSACASA-N 2 1 274.861 3.782 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000230407763 329367535 /nfs/dbraw/zinc/36/75/35/329367535.db2.gz OJJUVOKCQPQABB-NSHDSACASA-N 2 1 274.861 3.782 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000230407763 329367536 /nfs/dbraw/zinc/36/75/36/329367536.db2.gz OJJUVOKCQPQABB-NSHDSACASA-N 2 1 274.861 3.782 20 0 CHADMP C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1csc(Cl)c1 ZINC000230410042 329367605 /nfs/dbraw/zinc/36/76/05/329367605.db2.gz WKOTUWGZCIYVPJ-NHCYSSNCSA-N 2 1 272.845 3.535 20 0 CHADMP C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1csc(Cl)c1 ZINC000230410042 329367607 /nfs/dbraw/zinc/36/76/07/329367607.db2.gz WKOTUWGZCIYVPJ-NHCYSSNCSA-N 2 1 272.845 3.535 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CCC(F)(F)CC1 ZINC000459787668 329393689 /nfs/dbraw/zinc/39/36/89/329393689.db2.gz PRSXWWRIFRUXLJ-ZIAGYGMSSA-N 2 1 288.426 3.522 20 0 CHADMP CCC(CC)[C@@H](C[NH2+][C@H](C)CCc1ccco1)[NH+](C)C ZINC000035451852 329496610 /nfs/dbraw/zinc/49/66/10/329496610.db2.gz AEPYLUZLOPYHEV-RHSMWYFYSA-N 2 1 280.456 3.557 20 0 CHADMP CC[NH+](CC)[C@@H](C)C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000509798654 332881932 /nfs/dbraw/zinc/88/19/32/332881932.db2.gz JBOWCNHGANKDSM-NFOMZHRRSA-N 2 1 294.870 3.906 20 0 CHADMP CC[C@@H](C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000421871769 330100509 /nfs/dbraw/zinc/10/05/09/330100509.db2.gz GEHSZLNSVJVAHH-OWYHZJEWSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@H]1CC[C@H]([N@@H+](C)Cc2cc(-n3ccnc3)cs2)C1 ZINC000433048192 330136864 /nfs/dbraw/zinc/13/68/64/330136864.db2.gz VRNPXIONTLPPCG-STQMWFEESA-N 2 1 275.421 3.554 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379624751 330143182 /nfs/dbraw/zinc/14/31/82/330143182.db2.gz DYFJFKBDGVQYHD-VQIMIIECSA-N 2 1 286.463 3.962 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000379624751 330143183 /nfs/dbraw/zinc/14/31/83/330143183.db2.gz DYFJFKBDGVQYHD-VQIMIIECSA-N 2 1 286.463 3.962 20 0 CHADMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379626050 330143231 /nfs/dbraw/zinc/14/32/31/330143231.db2.gz GORKDHFKKBGACY-JFRXWTBNSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379626050 330143232 /nfs/dbraw/zinc/14/32/32/330143232.db2.gz GORKDHFKKBGACY-JFRXWTBNSA-N 2 1 286.463 3.818 20 0 CHADMP CCC[N@@H+](Cc1cccc(C2CC2)c1)C1CC[NH2+]CC1 ZINC000422551556 330149157 /nfs/dbraw/zinc/14/91/57/330149157.db2.gz FCLJIDFHVSJILW-UHFFFAOYSA-N 2 1 272.436 3.528 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422706510 330151100 /nfs/dbraw/zinc/15/11/00/330151100.db2.gz UNLCYHZKKULZEM-UBDQQSCGSA-N 2 1 272.436 3.648 20 0 CHADMP CC(C)CC[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422733888 330152834 /nfs/dbraw/zinc/15/28/34/330152834.db2.gz RWMAGQFZZDDWQZ-RYQLBKOJSA-N 2 1 274.452 3.894 20 0 CHADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000422763956 330154109 /nfs/dbraw/zinc/15/41/09/330154109.db2.gz PDDBSMNDUCUHGR-OALUTQOASA-N 2 1 280.415 3.578 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccncc1 ZINC000422785543 330154919 /nfs/dbraw/zinc/15/49/19/330154919.db2.gz PIHIKSAWTXLFIF-QYZOEREBSA-N 2 1 295.430 3.616 20 0 CHADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000422785863 330154990 /nfs/dbraw/zinc/15/49/90/330154990.db2.gz RWJDWPSLCCRZOV-GUBZILKMSA-N 2 1 275.223 3.770 20 0 CHADMP C[C@@H]([NH2+]C1CCC(c2ccccc2)CC1)c1c[nH+]ccc1N ZINC000422812466 330156365 /nfs/dbraw/zinc/15/63/65/330156365.db2.gz WJUPPILMXKULBH-ODIFPOPNSA-N 2 1 295.430 3.871 20 0 CHADMP C[C@@H]([NH2+][C@H](c1ccccc1)C(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000422839297 330157101 /nfs/dbraw/zinc/15/71/01/330157101.db2.gz ZSKXXPUGSFPLRQ-VNQPRFMTSA-N 2 1 260.425 3.504 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)C(C)(C)C ZINC000422854543 330157761 /nfs/dbraw/zinc/15/77/61/330157761.db2.gz BAIFXRWEYZBINX-IKGGRYGDSA-N 2 1 274.452 3.894 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1ccccc1Oc1ccccc1)C1C[NH2+]C1 ZINC000422883508 330159220 /nfs/dbraw/zinc/15/92/20/330159220.db2.gz VDMWKFOBHGQBEV-CABCVRRESA-N 2 1 296.414 3.737 20 0 CHADMP C[C@H]([NH3+])C[C@H](C)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000422916172 330160401 /nfs/dbraw/zinc/16/04/01/330160401.db2.gz COPAZDMQNVBCMT-HRCADAONSA-N 2 1 289.467 3.599 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)C(C)C ZINC000422946740 330162058 /nfs/dbraw/zinc/16/20/58/330162058.db2.gz PDGPAJOAMLDGRW-ULQDDVLXSA-N 2 1 260.425 3.504 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1 ZINC000422986454 330163062 /nfs/dbraw/zinc/16/30/62/330163062.db2.gz GVLNCSFTFZLYJS-LZQZEXGQSA-N 2 1 280.415 3.831 20 0 CHADMP COc1ccccc1[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000422952339 330163966 /nfs/dbraw/zinc/16/39/66/330163966.db2.gz CGDSCMIKGMTIAF-YZVOILCLSA-N 2 1 298.430 3.500 20 0 CHADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000422960193 330164286 /nfs/dbraw/zinc/16/42/86/330164286.db2.gz VOXIBTSVYCGBJY-XQQFMLRXSA-N 2 1 289.448 3.587 20 0 CHADMP c1ccc([C@@H]2C[C@H]([NH2+]CCC3=CCCCC3)CC[NH2+]2)cc1 ZINC000422963233 330164442 /nfs/dbraw/zinc/16/44/42/330164442.db2.gz IAGRXHZYCMHCGP-MOPGFXCFSA-N 2 1 284.447 3.960 20 0 CHADMP CC(C)[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Cl)cc1F ZINC000423029018 330166105 /nfs/dbraw/zinc/16/61/05/330166105.db2.gz HIGSEZMJCNRRFM-OAHLLOKOSA-N 2 1 284.806 3.518 20 0 CHADMP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1cc2ccccc2s1 ZINC000423053230 330167279 /nfs/dbraw/zinc/16/72/79/330167279.db2.gz ABQBREFRPJTIKG-BZPMIXESSA-N 2 1 274.433 3.692 20 0 CHADMP Cc1oc2ccccc2c1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423053499 330167533 /nfs/dbraw/zinc/16/75/33/330167533.db2.gz SQECHCWDUJQROF-ROUUACIJSA-N 2 1 292.382 3.976 20 0 CHADMP Cc1ccc(C)c([C@H]([NH2+]C2CC[NH2+]CC2)c2ccccc2)c1 ZINC000423059378 330167695 /nfs/dbraw/zinc/16/76/95/330167695.db2.gz FLWYCAVCWRYDKS-HXUWFJFHSA-N 2 1 294.442 3.734 20 0 CHADMP C[C@H]([NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423095512 330169526 /nfs/dbraw/zinc/16/95/26/330169526.db2.gz MQWAQTRQZGPKID-CSFVBSKPSA-N 2 1 292.854 3.706 20 0 CHADMP Cc1ccc(C(C)(C)C[NH2+][C@@H](C)c2c[nH+]ccc2N)c(C)c1 ZINC000423132469 330171882 /nfs/dbraw/zinc/17/18/82/330171882.db2.gz PDILWRDGXYNHSE-HNNXBMFYSA-N 2 1 297.446 3.739 20 0 CHADMP CC(C)(C)C1CC([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000423133001 330171933 /nfs/dbraw/zinc/17/19/33/330171933.db2.gz JUZNKNGDXRKZDM-IKJBURDNSA-N 2 1 286.463 3.894 20 0 CHADMP C[C@H]([NH2+]CC[NH3+])c1ccc(-c2ccc(Cl)cc2F)s1 ZINC000423176732 330175016 /nfs/dbraw/zinc/17/50/16/330175016.db2.gz CWNLARNHCKUNAJ-VIFPVBQESA-N 2 1 298.814 3.817 20 0 CHADMP [NH3+]C1(C[NH2+][C@H]2CCSc3ccc(F)cc32)CCCCC1 ZINC000423185313 330175804 /nfs/dbraw/zinc/17/58/04/330175804.db2.gz VALWMNOUKQUOSY-AWEZNQCLSA-N 2 1 294.439 3.614 20 0 CHADMP CC[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(C)cc1 ZINC000423188369 330175833 /nfs/dbraw/zinc/17/58/33/330175833.db2.gz NOIURRKICHZTBR-IBGZPJMESA-N 2 1 297.446 3.611 20 0 CHADMP CCC[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccccn1 ZINC000423200041 330176513 /nfs/dbraw/zinc/17/65/13/330176513.db2.gz LNCCTYRFAMININ-OAHLLOKOSA-N 2 1 275.440 3.564 20 0 CHADMP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]CCC[NH2+]C ZINC000423205932 330177036 /nfs/dbraw/zinc/17/70/36/330177036.db2.gz WGUBOQGJVNTLMY-CYBMUJFWSA-N 2 1 274.408 3.564 20 0 CHADMP Clc1cc2c(c(Cl)c1)[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CC2 ZINC000423213024 330178329 /nfs/dbraw/zinc/17/83/29/330178329.db2.gz MPSMYZZQWHULHB-QMTHXVAHSA-N 2 1 299.245 3.570 20 0 CHADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000423269942 330181634 /nfs/dbraw/zinc/18/16/34/330181634.db2.gz HKDXVMLEUOTFDZ-RISCZKNCSA-N 2 1 274.408 3.556 20 0 CHADMP CC[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1ccc(Cl)s1 ZINC000423259388 330183497 /nfs/dbraw/zinc/18/34/97/330183497.db2.gz DPTVENJXPXRWPN-GHMZBOCLSA-N 2 1 274.861 3.816 20 0 CHADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)C1CCC(F)(F)CC1 ZINC000423263772 330183732 /nfs/dbraw/zinc/18/37/32/330183732.db2.gz OVOYZNUEXPOGDU-SWLSCSKDSA-N 2 1 288.426 3.698 20 0 CHADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000423277303 330184959 /nfs/dbraw/zinc/18/49/59/330184959.db2.gz PSSZBZJKRBSPBG-APWZRJJASA-N 2 1 282.431 3.530 20 0 CHADMP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423277472 330184962 /nfs/dbraw/zinc/18/49/62/330184962.db2.gz OEMKGPNPPYFETP-ZFWWWQNUSA-N 2 1 298.883 3.538 20 0 CHADMP CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1Cl ZINC000423281292 330185398 /nfs/dbraw/zinc/18/53/98/330185398.db2.gz UDAIFEVIDAWGPN-XHDPSFHLSA-N 2 1 296.842 3.515 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1sc(C(C)(C)C)nc1C ZINC000423286967 330186101 /nfs/dbraw/zinc/18/61/01/330186101.db2.gz JSJDHRRYIHXUAF-LLVKDONJSA-N 2 1 297.512 3.917 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000423297833 330188662 /nfs/dbraw/zinc/18/86/62/330188662.db2.gz MBHRBOKZWATKPK-SMDDNHRTSA-N 2 1 254.805 3.508 20 0 CHADMP C[C@H](C[NH3+])[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000423318177 330190004 /nfs/dbraw/zinc/19/00/04/330190004.db2.gz CUYAEYKGSKBTJQ-CXAGYDPISA-N 2 1 288.822 3.561 20 0 CHADMP CC[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc(Cl)c1F ZINC000423327207 330190598 /nfs/dbraw/zinc/19/05/98/330190598.db2.gz DCADLRLQNSYBBZ-HOCLYGCPSA-N 2 1 298.833 3.910 20 0 CHADMP Cc1ccccc1COc1ccc([C@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000423323653 330190648 /nfs/dbraw/zinc/19/06/48/330190648.db2.gz JZFKSBUWKJGCSZ-CVEARBPZSA-N 2 1 298.430 3.572 20 0 CHADMP CC(C)[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(F)ccc1F ZINC000423329189 330191326 /nfs/dbraw/zinc/19/13/26/330191326.db2.gz FCUUMNIYCBBYNY-SJORKVTESA-N 2 1 296.405 3.641 20 0 CHADMP C[C@H](C[NH3+])[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000423334838 330191429 /nfs/dbraw/zinc/19/14/29/330191429.db2.gz SRZYDQJWZHTCGA-IAQYHMDHSA-N 2 1 266.816 3.508 20 0 CHADMP CC(C)Sc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000423339791 330192087 /nfs/dbraw/zinc/19/20/87/330192087.db2.gz WYHXJMVUOYBYTD-CYBMUJFWSA-N 2 1 278.465 3.719 20 0 CHADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423361135 330193636 /nfs/dbraw/zinc/19/36/36/330193636.db2.gz LYUVQAZVUWLURZ-WCQYABFASA-N 2 1 295.496 3.542 20 0 CHADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-c2ccccc2F)s1 ZINC000423373122 330195335 /nfs/dbraw/zinc/19/53/35/330195335.db2.gz RLYUWNFQQFQIAT-QWRGUYRKSA-N 2 1 278.396 3.552 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cccc(Cl)c1Cl ZINC000423396357 330195509 /nfs/dbraw/zinc/19/55/09/330195509.db2.gz NSNAMEAENOPDRO-NRUUGDAUSA-N 2 1 287.234 3.642 20 0 CHADMP Cc1ccc2cc([C@H](C)[NH2+]CC[C@H]3CCC[NH2+]3)oc2c1 ZINC000423373938 330195590 /nfs/dbraw/zinc/19/55/90/330195590.db2.gz WUACQOMUSVCHAV-DZGCQCFKSA-N 2 1 272.392 3.534 20 0 CHADMP CCC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000423325549 330195657 /nfs/dbraw/zinc/19/56/57/330195657.db2.gz QECHFYQMCDITRD-CABCVRRESA-N 2 1 266.816 3.508 20 0 CHADMP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000423376222 330198713 /nfs/dbraw/zinc/19/87/13/330198713.db2.gz KXDQXWPOIUGOOJ-MELADBBJSA-N 2 1 286.419 3.786 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc(Cl)cc(Cl)c1 ZINC000423383824 330199625 /nfs/dbraw/zinc/19/96/25/330199625.db2.gz PQKFJEZCOUJTIB-RULNRJAQSA-N 2 1 287.234 3.785 20 0 CHADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(-c2cccs2)cc1 ZINC000423452733 330203079 /nfs/dbraw/zinc/20/30/79/330203079.db2.gz WTONFGYPPBEIPB-AVGNSLFASA-N 2 1 274.433 3.801 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1)[C@H](C)[NH3+] ZINC000423453744 330203204 /nfs/dbraw/zinc/20/32/04/330203204.db2.gz YAFXFTZFAFKZIM-XHSDSOJGSA-N 2 1 298.430 3.652 20 0 CHADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000423464628 330204193 /nfs/dbraw/zinc/20/41/93/330204193.db2.gz MHXCPOFPSKHZST-MAUKXSAKSA-N 2 1 298.430 3.654 20 0 CHADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1csc(-c2csc(C)n2)c1 ZINC000423470371 330205011 /nfs/dbraw/zinc/20/50/11/330205011.db2.gz PGVGBDYMTJVUTL-BXKDBHETSA-N 2 1 295.477 3.568 20 0 CHADMP CC[C@@H]([NH3+])C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000423486662 330206737 /nfs/dbraw/zinc/20/67/37/330206737.db2.gz ZYDHIOQQRJMEHY-KGLIPLIRSA-N 2 1 288.357 3.729 20 0 CHADMP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@@H](C)c1ccccc1 ZINC000423501367 330208578 /nfs/dbraw/zinc/20/85/78/330208578.db2.gz DIVBDVNAHUEETE-YAJHFMINSA-N 2 1 294.442 3.524 20 0 CHADMP CCSc1ccccc1[C@@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000423527653 330210380 /nfs/dbraw/zinc/21/03/80/330210380.db2.gz NAHMVVYGIDBVPB-CYBMUJFWSA-N 2 1 278.465 3.591 20 0 CHADMP CC[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cccc(Cl)c1F ZINC000423549684 330211609 /nfs/dbraw/zinc/21/16/09/330211609.db2.gz HYWWLANDIJJCLC-CQSZACIVSA-N 2 1 284.806 3.662 20 0 CHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]CC2(F)CC2)cc1 ZINC000527514187 330255884 /nfs/dbraw/zinc/25/58/84/330255884.db2.gz XREVKEHSWWRPOX-OAHLLOKOSA-N 2 1 290.426 3.653 20 0 CHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000527726298 330277622 /nfs/dbraw/zinc/27/76/22/330277622.db2.gz HCKJJTCNVHRNLH-QZTJIDSGSA-N 2 1 297.446 3.669 20 0 CHADMP CC(C)Cc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000527733822 330278581 /nfs/dbraw/zinc/27/85/81/330278581.db2.gz RCMAVRXNCSPYDS-RBUKOAKNSA-N 2 1 286.463 3.602 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CC2CC=CC2)CC[N@@H+]1Cc1ccccc1 ZINC000527743143 330279985 /nfs/dbraw/zinc/27/99/85/330279985.db2.gz FUUCWPLPVXHPIT-QFBILLFUSA-N 2 1 284.447 3.595 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CC2CC=CC2)CC[N@H+]1Cc1ccccc1 ZINC000527743143 330279987 /nfs/dbraw/zinc/27/99/87/330279987.db2.gz FUUCWPLPVXHPIT-QFBILLFUSA-N 2 1 284.447 3.595 20 0 CHADMP Cc1cccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C(C)C)c1 ZINC000527810209 330284760 /nfs/dbraw/zinc/28/47/60/330284760.db2.gz OVVYPMPEYRFMJV-IPMKNSEASA-N 2 1 286.463 3.909 20 0 CHADMP Cc1cccc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C(C)C)c1 ZINC000527862055 330285324 /nfs/dbraw/zinc/28/53/24/330285324.db2.gz FROABDXSUNNWAP-KBAYOESNSA-N 2 1 274.452 3.764 20 0 CHADMP Cc1cccc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C(C)C)c1 ZINC000527862055 330285325 /nfs/dbraw/zinc/28/53/25/330285325.db2.gz FROABDXSUNNWAP-KBAYOESNSA-N 2 1 274.452 3.764 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@H]1CC12CC2 ZINC000527865729 330285541 /nfs/dbraw/zinc/28/55/41/330285541.db2.gz ODRPIXBZTZZCEY-TXPKVOOTSA-N 2 1 298.474 3.990 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@H]2CC23CC3)c1 ZINC000527854441 330288750 /nfs/dbraw/zinc/28/87/50/330288750.db2.gz SLHRBAUDHJDYEM-CRAIPNDOSA-N 2 1 286.463 3.805 20 0 CHADMP Cc1cccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C(C)C)c1 ZINC000527905881 330290119 /nfs/dbraw/zinc/29/01/19/330290119.db2.gz RRODKXPNHVBCQM-IPQPSQTFSA-N 2 1 286.463 3.907 20 0 CHADMP C[NH+](C)C1(C[NH2+]C2CC(c3ccccc3)C2)CCCCC1 ZINC000036840459 330292051 /nfs/dbraw/zinc/29/20/51/330292051.db2.gz IXCQGKPDUNPVMV-UHFFFAOYSA-N 2 1 286.463 3.787 20 0 CHADMP CC(C)C[N@H+]1CC[C@H](CNc2nccc3ccccc32)C1 ZINC000527923859 330296245 /nfs/dbraw/zinc/29/62/45/330296245.db2.gz DYUAIPVBCXCZLL-OAHLLOKOSA-N 2 1 283.419 3.625 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC000044532761 330329763 /nfs/dbraw/zinc/32/97/63/330329763.db2.gz LOBWDUYAABQIDW-BHIYHBOVSA-N 2 1 286.463 3.644 20 0 CHADMP CCCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534925 330329966 /nfs/dbraw/zinc/32/99/66/330329966.db2.gz WJJLQZXHTXKZKN-RDJZCZTQSA-N 2 1 274.452 3.632 20 0 CHADMP CC(C)C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000044534778 330330018 /nfs/dbraw/zinc/33/00/18/330330018.db2.gz MIIWXDBJIZARBD-WMZOPIPTSA-N 2 1 274.452 3.705 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C2CCC2)C[C@@H]1c1ccccc1 ZINC000424325017 330341106 /nfs/dbraw/zinc/34/11/06/330341106.db2.gz KRPKFPZOOCQORV-FCGDIQPGSA-N 2 1 284.447 3.600 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C2CCC2)C[C@@H]1c1ccccc1 ZINC000424325017 330341107 /nfs/dbraw/zinc/34/11/07/330341107.db2.gz KRPKFPZOOCQORV-FCGDIQPGSA-N 2 1 284.447 3.600 20 0 CHADMP CC(C)(C)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000106868523 330341511 /nfs/dbraw/zinc/34/15/11/330341511.db2.gz SPIUXJIYCFTJKN-ZWKOTPCHSA-N 2 1 286.463 3.701 20 0 CHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC23CC3)CC1 ZINC000424333094 330342875 /nfs/dbraw/zinc/34/28/75/330342875.db2.gz XJOAJHUCDDEASH-DAWZGUTISA-N 2 1 284.447 3.572 20 0 CHADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000424373010 330348246 /nfs/dbraw/zinc/34/82/46/330348246.db2.gz IZMHAJBIHQPKJI-HZSPNIEDSA-N 2 1 296.867 3.736 20 0 CHADMP C[C@H]1CC2(C[N@H+]1Cc1cccc(C3CC3)c1)CC[NH2+]CC2 ZINC000424382369 330349393 /nfs/dbraw/zinc/34/93/93/330349393.db2.gz SBDXMEVGKZSCRU-HNNXBMFYSA-N 2 1 284.447 3.528 20 0 CHADMP Cc1cc(Cl)ccc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424387608 330349812 /nfs/dbraw/zinc/34/98/12/330349812.db2.gz YPTDBBPLCCTWQS-AWEZNQCLSA-N 2 1 292.854 3.612 20 0 CHADMP CC(C)[NH2+]C1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000108368489 330353549 /nfs/dbraw/zinc/35/35/49/330353549.db2.gz UBQCAZOCJDZIBO-UHFFFAOYSA-N 2 1 274.452 3.772 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000212782253 330367472 /nfs/dbraw/zinc/36/74/72/330367472.db2.gz LMILZZFCKSHZDJ-LBPRGKRZSA-N 2 1 286.822 3.862 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCc2ccsc2)CC1 ZINC000543030264 330369997 /nfs/dbraw/zinc/36/99/97/330369997.db2.gz POAQVWGVCWMUGM-UHFFFAOYSA-N 2 1 294.508 3.733 20 0 CHADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000119729034 330377698 /nfs/dbraw/zinc/37/76/98/330377698.db2.gz HCSAEDQVWWLGTC-QGZVFWFLSA-N 2 1 264.457 3.562 20 0 CHADMP CCCC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119689962 330378752 /nfs/dbraw/zinc/37/87/52/330378752.db2.gz BQEMAWDREICJQX-WMLDXEAASA-N 2 1 264.457 3.562 20 0 CHADMP CCc1oc2ccccc2c1C[NH+]1CCC([NH+](C)C)CC1 ZINC000091670185 330401931 /nfs/dbraw/zinc/40/19/31/330401931.db2.gz JTTOGXIWWPYWPG-UHFFFAOYSA-N 2 1 286.419 3.521 20 0 CHADMP CC[C@H](F)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000440600510 330752036 /nfs/dbraw/zinc/75/20/36/330752036.db2.gz RCXNPFICCFLSJK-DOMZBBRYSA-N 2 1 275.371 3.579 20 0 CHADMP CC(C)[NH+](CC[NH2+][C@H](C)CCCC(F)(F)F)C(C)C ZINC000163183494 330997002 /nfs/dbraw/zinc/99/70/02/330997002.db2.gz XMCIGLOCCUKXLI-CYBMUJFWSA-N 2 1 282.394 3.816 20 0 CHADMP CCCn1ccnc1CCC[N@@H+](C)[C@@H](C)CC(C)C ZINC000450854848 331003109 /nfs/dbraw/zinc/00/31/09/331003109.db2.gz LEZOXWILHRPBIK-HNNXBMFYSA-N 2 1 265.445 3.592 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)CC(C)C ZINC000450854848 331003110 /nfs/dbraw/zinc/00/31/10/331003110.db2.gz LEZOXWILHRPBIK-HNNXBMFYSA-N 2 1 265.445 3.592 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)CC(C)C ZINC000450854848 331003111 /nfs/dbraw/zinc/00/31/11/331003111.db2.gz LEZOXWILHRPBIK-HNNXBMFYSA-N 2 1 265.445 3.592 20 0 CHADMP CC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccncc1 ZINC000453065334 331085863 /nfs/dbraw/zinc/08/58/63/331085863.db2.gz USIVIINZBDCHQS-AEFFLSMTSA-N 2 1 289.467 3.777 20 0 CHADMP CCC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCC)C1)C(C)(C)C ZINC000453086556 331087873 /nfs/dbraw/zinc/08/78/73/331087873.db2.gz HZQQKHDVCGYYHF-HUUCEWRRSA-N 2 1 254.462 3.523 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cs1 ZINC000453113601 331090399 /nfs/dbraw/zinc/09/03/99/331090399.db2.gz UMMPEFPTURWKJS-LSDHHAIUSA-N 2 1 280.481 3.828 20 0 CHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453157945 331095304 /nfs/dbraw/zinc/09/53/04/331095304.db2.gz JULRIUOGNPATLT-FHWLQOOXSA-N 2 1 284.447 3.572 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000453239856 331105771 /nfs/dbraw/zinc/10/57/71/331105771.db2.gz TURVDSCWUMWGNG-HLNSBACISA-N 2 1 290.426 3.521 20 0 CHADMP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccsc1 ZINC000453342849 331119321 /nfs/dbraw/zinc/11/93/21/331119321.db2.gz HZLLCFPSLPWJLI-WTXIUTQJSA-N 2 1 278.465 3.804 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000453358201 331121984 /nfs/dbraw/zinc/12/19/84/331121984.db2.gz IXXQZWYOHAKMNS-TTYHFUOFSA-N 2 1 298.474 3.533 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000453358201 331121985 /nfs/dbraw/zinc/12/19/85/331121985.db2.gz IXXQZWYOHAKMNS-TTYHFUOFSA-N 2 1 298.474 3.533 20 0 CHADMP COc1ccc(C)cc1[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453388606 331126984 /nfs/dbraw/zinc/12/69/84/331126984.db2.gz BRGASHDXMKMPJX-OAHLLOKOSA-N 2 1 290.451 3.529 20 0 CHADMP CCOc1ccccc1[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453397481 331128088 /nfs/dbraw/zinc/12/80/88/331128088.db2.gz JMNCTMOPOSZGLY-OAHLLOKOSA-N 2 1 290.451 3.610 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000453401372 331128815 /nfs/dbraw/zinc/12/88/15/331128815.db2.gz MUDLVKWIHRTOQJ-OAHLLOKOSA-N 2 1 274.452 3.774 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000453413959 331130137 /nfs/dbraw/zinc/13/01/37/331130137.db2.gz WVNNQGOMSDUQFH-QWHCGFSZSA-N 2 1 292.389 3.572 20 0 CHADMP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccs1 ZINC000453420927 331130607 /nfs/dbraw/zinc/13/06/07/331130607.db2.gz ZYBVDPKYDRTCLF-CQSZACIVSA-N 2 1 266.454 3.663 20 0 CHADMP Cc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000195131994 331138020 /nfs/dbraw/zinc/13/80/20/331138020.db2.gz KWKDOKUJPGJKNM-WMZOPIPTSA-N 2 1 298.430 3.761 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000195131994 331138022 /nfs/dbraw/zinc/13/80/22/331138022.db2.gz KWKDOKUJPGJKNM-WMZOPIPTSA-N 2 1 298.430 3.761 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCc2cccc(Cl)c2)C1 ZINC000459371338 331278765 /nfs/dbraw/zinc/27/87/65/331278765.db2.gz JIISOYIMYZJSJX-INIZCTEOSA-N 2 1 294.870 3.546 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCc2cccc(Cl)c2)C1 ZINC000459371338 331278766 /nfs/dbraw/zinc/27/87/66/331278766.db2.gz JIISOYIMYZJSJX-INIZCTEOSA-N 2 1 294.870 3.546 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2cccc(Cl)c2)[C@H](C)C1 ZINC000459376896 331278998 /nfs/dbraw/zinc/27/89/98/331278998.db2.gz ODGGLXJCQYDQLE-RHSMWYFYSA-N 2 1 294.870 3.545 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2cccc(Cl)c2)[C@H](C)C1 ZINC000459376896 331278999 /nfs/dbraw/zinc/27/89/99/331278999.db2.gz ODGGLXJCQYDQLE-RHSMWYFYSA-N 2 1 294.870 3.545 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2cccc(Cl)c2)[C@H](C)C1 ZINC000459376896 331279000 /nfs/dbraw/zinc/27/90/00/331279000.db2.gz ODGGLXJCQYDQLE-RHSMWYFYSA-N 2 1 294.870 3.545 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2cccc(Cl)c2)[C@@H](C)C1 ZINC000459376897 331279011 /nfs/dbraw/zinc/27/90/11/331279011.db2.gz ODGGLXJCQYDQLE-WMLDXEAASA-N 2 1 294.870 3.545 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2cccc(Cl)c2)[C@@H](C)C1 ZINC000459376897 331279012 /nfs/dbraw/zinc/27/90/12/331279012.db2.gz ODGGLXJCQYDQLE-WMLDXEAASA-N 2 1 294.870 3.545 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2cccc(Cl)c2)[C@@H](C)C1 ZINC000459376897 331279013 /nfs/dbraw/zinc/27/90/13/331279013.db2.gz ODGGLXJCQYDQLE-WMLDXEAASA-N 2 1 294.870 3.545 20 0 CHADMP C[C@@H]1CCCc2ccccc2[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459483068 331284238 /nfs/dbraw/zinc/28/42/38/331284238.db2.gz RGTBMKKHVAJSHH-FOIQADDNSA-N 2 1 298.474 3.917 20 0 CHADMP Cc1cc(F)c(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Cl)c1 ZINC000459569961 331288501 /nfs/dbraw/zinc/28/85/01/331288501.db2.gz LTEUUVRFHPXGHP-YHWZYXNKSA-N 2 1 296.817 3.502 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCC[C@H]1c1ccccc1 ZINC000459702273 331295083 /nfs/dbraw/zinc/29/50/83/331295083.db2.gz NOWRKGJRVVIUDP-OALUTQOASA-N 2 1 297.446 3.850 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCC[C@H]1c1ccccc1 ZINC000459702273 331295084 /nfs/dbraw/zinc/29/50/84/331295084.db2.gz NOWRKGJRVVIUDP-OALUTQOASA-N 2 1 297.446 3.850 20 0 CHADMP CC(C)c1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000459737407 331297059 /nfs/dbraw/zinc/29/70/59/331297059.db2.gz RFHPSYZXIQITNM-KRWDZBQOSA-N 2 1 274.452 3.632 20 0 CHADMP C[C@@H](CCc1ccccc1)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459739397 331297365 /nfs/dbraw/zinc/29/73/65/331297365.db2.gz SMJVMPSCCFNLGK-HKUYNNGSSA-N 2 1 288.479 3.577 20 0 CHADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459775995 331300274 /nfs/dbraw/zinc/30/02/74/331300274.db2.gz JTLRHKAIXDJQOW-GOEBONIOSA-N 2 1 294.870 3.593 20 0 CHADMP C[C@@H](CC[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000459797490 331301503 /nfs/dbraw/zinc/30/15/03/331301503.db2.gz WTZZUMFMFYVAJE-IRXDYDNUSA-N 2 1 274.452 3.502 20 0 CHADMP CC[C@H](C[C@@H](C)CC)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459798358 331301513 /nfs/dbraw/zinc/30/15/13/331301513.db2.gz XLMZDRVYHQMSJS-HRCADAONSA-N 2 1 254.462 3.523 20 0 CHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000166175437 331306620 /nfs/dbraw/zinc/30/66/20/331306620.db2.gz ZFHAGFSUVFGDSJ-CHWSQXEVSA-N 2 1 280.481 3.605 20 0 CHADMP CC[C@@H]([NH2+]CCC[NH+](CC)CC)c1cccc(F)c1 ZINC000166407345 331307141 /nfs/dbraw/zinc/30/71/41/331307141.db2.gz ZBLZXXIOXBPEJK-MRXNPFEDSA-N 2 1 266.404 3.598 20 0 CHADMP CC(C)(C)[NH+]1CCC(Nc2cc3c(c[nH+]2)CCCC3)CC1 ZINC000462945178 331335722 /nfs/dbraw/zinc/33/57/22/331335722.db2.gz MCOPLIDRMFPZLC-UHFFFAOYSA-N 2 1 287.451 3.635 20 0 CHADMP C[C@@H](CCCC(F)(F)F)[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000480693536 331784794 /nfs/dbraw/zinc/78/47/94/331784794.db2.gz CMFXHXBQHMDPLF-KBPBESRZSA-N 2 1 294.405 3.962 20 0 CHADMP CC(C)=CC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489673821 332064424 /nfs/dbraw/zinc/06/44/24/332064424.db2.gz CAMXJUOQMFFPJI-UHFFFAOYSA-N 2 1 286.463 3.797 20 0 CHADMP C[C@H](C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)c1cccc(Cl)c1 ZINC000490014428 332076772 /nfs/dbraw/zinc/07/67/72/332076772.db2.gz QEXLJZMDDWFVDQ-PBHICJAKSA-N 2 1 292.854 3.519 20 0 CHADMP C[C@H](C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)c1cccc(Cl)c1 ZINC000490014428 332076773 /nfs/dbraw/zinc/07/67/73/332076773.db2.gz QEXLJZMDDWFVDQ-PBHICJAKSA-N 2 1 292.854 3.519 20 0 CHADMP CC(C)CC[N@@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000172268394 335098977 /nfs/dbraw/zinc/09/89/77/335098977.db2.gz TUZICDVRVCYKPZ-UHFFFAOYSA-N 2 1 274.452 3.629 20 0 CHADMP CC(C)CC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000172268394 335098978 /nfs/dbraw/zinc/09/89/78/335098978.db2.gz TUZICDVRVCYKPZ-UHFFFAOYSA-N 2 1 274.452 3.629 20 0 CHADMP CC(C)CC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000172268394 335098979 /nfs/dbraw/zinc/09/89/79/335098979.db2.gz TUZICDVRVCYKPZ-UHFFFAOYSA-N 2 1 274.452 3.629 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CC1 ZINC000247294789 334278766 /nfs/dbraw/zinc/27/87/66/334278766.db2.gz HPOISCQFILAHMA-JGGQBBKZSA-N 2 1 278.465 3.519 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CC1 ZINC000247294789 334278768 /nfs/dbraw/zinc/27/87/68/334278768.db2.gz HPOISCQFILAHMA-JGGQBBKZSA-N 2 1 278.465 3.519 20 0 CHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cccc2ccccc21 ZINC000400434135 332709683 /nfs/dbraw/zinc/70/96/83/332709683.db2.gz KUEYDEJUNIQVAP-SUNYJGFJSA-N 2 1 268.404 3.631 20 0 CHADMP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c(C)c1 ZINC000513652799 333029268 /nfs/dbraw/zinc/02/92/68/333029268.db2.gz BWAYTYXBLXGLJF-UHOSZYNNSA-N 2 1 286.463 3.574 20 0 CHADMP CC(C)C1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000513673304 333031548 /nfs/dbraw/zinc/03/15/48/333031548.db2.gz OZTWHZSMSWXPMW-ILEACXBISA-N 2 1 278.484 3.664 20 0 CHADMP Cc1cc(N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000309716330 333047774 /nfs/dbraw/zinc/04/77/74/333047774.db2.gz LYKOXKBOXOWJIM-AEFFLSMTSA-N 2 1 295.430 3.713 20 0 CHADMP C[C@H]([NH2+]CC1(C)CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309891750 333051099 /nfs/dbraw/zinc/05/10/99/333051099.db2.gz DXAQSIRNLHVEFL-FUHWJXTLSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000516711869 333081278 /nfs/dbraw/zinc/08/12/78/333081278.db2.gz XFMCZWZAXIWVAS-IXDOHACOSA-N 2 1 278.484 3.689 20 0 CHADMP CC[NH2+]CCC[NH2+][C@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000516964459 333088345 /nfs/dbraw/zinc/08/83/45/333088345.db2.gz BNTXECDJDMRMEK-CQSZACIVSA-N 2 1 274.408 3.700 20 0 CHADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(C2CC2)cc1 ZINC000521266319 333116777 /nfs/dbraw/zinc/11/67/77/333116777.db2.gz BHXFJIZWLGQUFU-CQSZACIVSA-N 2 1 283.419 3.581 20 0 CHADMP CC(C)C(C)(C)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000218981497 333139707 /nfs/dbraw/zinc/13/97/07/333139707.db2.gz OLAQSKUPYVGFFG-UHFFFAOYSA-N 2 1 288.479 3.923 20 0 CHADMP C[C@@H](CCC1CC1)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000186248641 333157410 /nfs/dbraw/zinc/15/74/10/333157410.db2.gz ZLSNZIZHPIBZFO-HOTGVXAUSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2CCC3(CCCCC3)CC2)CC[N@@H+]1C ZINC000188805887 333174178 /nfs/dbraw/zinc/17/41/78/333174178.db2.gz QZTZDIKXPMRTFX-RDJZCZTQSA-N 2 1 278.484 3.952 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2CCC3(CCCCC3)CC2)CC[N@H+]1C ZINC000188805887 333174179 /nfs/dbraw/zinc/17/41/79/333174179.db2.gz QZTZDIKXPMRTFX-RDJZCZTQSA-N 2 1 278.484 3.952 20 0 CHADMP CCc1cccc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1 ZINC000189721934 333198447 /nfs/dbraw/zinc/19/84/47/333198447.db2.gz SHKOEYKROAIZTJ-CRAIPNDOSA-N 2 1 283.419 3.529 20 0 CHADMP CCS[C@@H]1CCCC[C@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000190034755 333202483 /nfs/dbraw/zinc/20/24/83/333202483.db2.gz GISHLZNAEOKISY-HZPDHXFCSA-N 2 1 295.496 3.626 20 0 CHADMP Cc1c[nH+]ccc1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000192669724 333237555 /nfs/dbraw/zinc/23/75/55/333237555.db2.gz OEPSFQIUQNBUPY-SJLPKXTDSA-N 2 1 295.430 3.855 20 0 CHADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000227200892 333278023 /nfs/dbraw/zinc/27/80/23/333278023.db2.gz WOYVXELLERAPPO-JKIFEVAISA-N 2 1 260.425 3.540 20 0 CHADMP c1sc2ccccc2c1C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227199637 333278109 /nfs/dbraw/zinc/27/81/09/333278109.db2.gz QHVFAQADMGWOID-HOTGVXAUSA-N 2 1 286.444 3.618 20 0 CHADMP c1sc2ccccc2c1C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227199637 333278110 /nfs/dbraw/zinc/27/81/10/333278110.db2.gz QHVFAQADMGWOID-HOTGVXAUSA-N 2 1 286.444 3.618 20 0 CHADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229057519 333300476 /nfs/dbraw/zinc/30/04/76/333300476.db2.gz QUESQWWBKTYQLW-IVMMDQJWSA-N 2 1 280.843 3.708 20 0 CHADMP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C1CCSCC1 ZINC000250068941 333302059 /nfs/dbraw/zinc/30/20/59/333302059.db2.gz NTLFQUSHPQSZHS-HUUCEWRRSA-N 2 1 298.540 3.618 20 0 CHADMP C[C@@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1)C1CCSCC1 ZINC000250068941 333302060 /nfs/dbraw/zinc/30/20/60/333302060.db2.gz NTLFQUSHPQSZHS-HUUCEWRRSA-N 2 1 298.540 3.618 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@H](C)Sc3sccc32)C1 ZINC000250341667 333304520 /nfs/dbraw/zinc/30/45/20/333304520.db2.gz PXDPUMRDVMYDQR-SCRDCRAPSA-N 2 1 296.505 3.605 20 0 CHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc(Cl)c3Cl)C[C@@H]21 ZINC000230127112 333314891 /nfs/dbraw/zinc/31/48/91/333314891.db2.gz LZZGIGLVRVUTOS-SCDSUCTJSA-N 2 1 299.245 3.553 20 0 CHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3Cl)C[C@@H]21 ZINC000230127112 333314892 /nfs/dbraw/zinc/31/48/92/333314892.db2.gz LZZGIGLVRVUTOS-SCDSUCTJSA-N 2 1 299.245 3.553 20 0 CHADMP C[C@H]1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000230406231 333317608 /nfs/dbraw/zinc/31/76/08/333317608.db2.gz OIQVJKOUFZAEPK-WMZOPIPTSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCC(F)(F)F)C1 ZINC000524892235 333392059 /nfs/dbraw/zinc/39/20/59/333392059.db2.gz KWGPMGYVSKINGB-KGLIPLIRSA-N 2 1 292.389 3.525 20 0 CHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(SC)cc2)C1 ZINC000174955119 335169993 /nfs/dbraw/zinc/16/99/93/335169993.db2.gz INONKKPJELYERS-INIZCTEOSA-N 2 1 292.492 3.572 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(SC)cc2)C1 ZINC000174955119 335169994 /nfs/dbraw/zinc/16/99/94/335169994.db2.gz INONKKPJELYERS-INIZCTEOSA-N 2 1 292.492 3.572 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(SC)cc2)C1 ZINC000174955119 335169995 /nfs/dbraw/zinc/16/99/95/335169995.db2.gz INONKKPJELYERS-INIZCTEOSA-N 2 1 292.492 3.572 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(SC)cc2)C1 ZINC000174955119 335169996 /nfs/dbraw/zinc/16/99/96/335169996.db2.gz INONKKPJELYERS-INIZCTEOSA-N 2 1 292.492 3.572 20 0 CHADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000546019568 334012830 /nfs/dbraw/zinc/01/28/30/334012830.db2.gz XXDDPCFBAKGQOJ-SJLPKXTDSA-N 2 1 286.463 3.612 20 0 CHADMP CC[C@@H](C[NH2+][C@H](C)C[NH+](CC)CC)c1ccccc1 ZINC000135612152 334134534 /nfs/dbraw/zinc/13/45/34/334134534.db2.gz NOBGQEIMYKOTND-CVEARBPZSA-N 2 1 262.441 3.500 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000136207729 334149282 /nfs/dbraw/zinc/14/92/82/334149282.db2.gz WZODALKXZCAZNP-CJNGLKHVSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(Cl)ccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000136207729 334149286 /nfs/dbraw/zinc/14/92/86/334149286.db2.gz WZODALKXZCAZNP-CJNGLKHVSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000136207729 334149287 /nfs/dbraw/zinc/14/92/87/334149287.db2.gz WZODALKXZCAZNP-CJNGLKHVSA-N 2 1 280.843 3.563 20 0 CHADMP CC(C)[C@@H](C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000081047497 334177428 /nfs/dbraw/zinc/17/74/28/334177428.db2.gz FAHOFAKJDFVDBA-KRWDZBQOSA-N 2 1 288.479 3.575 20 0 CHADMP C([NH2+][C@H]1CCC[C@H]2C[C@H]21)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000548883133 334178803 /nfs/dbraw/zinc/17/88/03/334178803.db2.gz XNJOCHRPVWKKKX-HPBDAGMYSA-N 2 1 276.468 3.562 20 0 CHADMP C[C@@H](CC[NH2+][C@H]1CCC[C@H]2C[C@H]21)[N@@H+](C)Cc1ccccc1 ZINC000548884506 334178879 /nfs/dbraw/zinc/17/88/79/334178879.db2.gz PQPYCSZNZIBECX-KANFNMMFSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000549033968 334182925 /nfs/dbraw/zinc/18/29/25/334182925.db2.gz NSQXROVRPJHERK-HKUYMTLNSA-N 2 1 298.474 3.675 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000549033968 334182926 /nfs/dbraw/zinc/18/29/26/334182926.db2.gz NSQXROVRPJHERK-HKUYMTLNSA-N 2 1 298.474 3.675 20 0 CHADMP CC(C)CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)C1CC1 ZINC000549228204 334188264 /nfs/dbraw/zinc/18/82/64/334188264.db2.gz HMCGCEVBCWIFBT-WMZOPIPTSA-N 2 1 280.500 3.911 20 0 CHADMP C[C@@H](c1ccccc1F)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245438539 334193593 /nfs/dbraw/zinc/19/35/93/334193593.db2.gz FLABVUKDPKXGQZ-HOTGVXAUSA-N 2 1 290.426 3.695 20 0 CHADMP C[C@@H](c1ccccc1F)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245438539 334193595 /nfs/dbraw/zinc/19/35/95/334193595.db2.gz FLABVUKDPKXGQZ-HOTGVXAUSA-N 2 1 290.426 3.695 20 0 CHADMP CC[N@H+]1CC[C@H](N(C)Cc2cccc(F)c2Cl)[C@@H](C)C1 ZINC000549527553 334196301 /nfs/dbraw/zinc/19/63/01/334196301.db2.gz RADAPWPTLCVVKB-WFASDCNBSA-N 2 1 298.833 3.641 20 0 CHADMP CC[C@H](C)C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000245548108 334202791 /nfs/dbraw/zinc/20/27/91/334202791.db2.gz YEGPFYISRPZPOJ-SQWLQELKSA-N 2 1 280.481 3.767 20 0 CHADMP CC[C@H](C)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000245548108 334202793 /nfs/dbraw/zinc/20/27/93/334202793.db2.gz YEGPFYISRPZPOJ-SQWLQELKSA-N 2 1 280.481 3.767 20 0 CHADMP CC[N@H+]1CC[C@H](N(C)Cc2cccc(F)c2Cl)C[C@H]1C ZINC000549865169 334207412 /nfs/dbraw/zinc/20/74/12/334207412.db2.gz CQTQEMZWUYKSJQ-OCCSQVGLSA-N 2 1 298.833 3.784 20 0 CHADMP CC(C)c1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000245623466 334208002 /nfs/dbraw/zinc/20/80/02/334208002.db2.gz XMTDWBOBQPCFOY-JTDSTZFVSA-N 2 1 288.479 3.813 20 0 CHADMP CC(C)c1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000245623466 334208003 /nfs/dbraw/zinc/20/80/03/334208003.db2.gz XMTDWBOBQPCFOY-JTDSTZFVSA-N 2 1 288.479 3.813 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000245755895 334217488 /nfs/dbraw/zinc/21/74/88/334217488.db2.gz UVGBAIVMBMYQEI-ZACQAIPSSA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000245917975 334223983 /nfs/dbraw/zinc/22/39/83/334223983.db2.gz FWDOFLLNBOUGFO-XDNAFOTISA-N 2 1 278.484 3.808 20 0 CHADMP CCC[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccccn1 ZINC000245953591 334225494 /nfs/dbraw/zinc/22/54/94/334225494.db2.gz SVXHPXDYMVVJEP-SJORKVTESA-N 2 1 289.467 3.777 20 0 CHADMP CCC[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccccn1 ZINC000245953591 334225495 /nfs/dbraw/zinc/22/54/95/334225495.db2.gz SVXHPXDYMVVJEP-SJORKVTESA-N 2 1 289.467 3.777 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3cc(F)ccc32)C1 ZINC000246089489 334231216 /nfs/dbraw/zinc/23/12/16/334231216.db2.gz WLRAOQLBVXACLD-KDOFPFPSSA-N 2 1 290.426 3.525 20 0 CHADMP CC1=CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000550934384 334234248 /nfs/dbraw/zinc/23/42/48/334234248.db2.gz BUIGAHCMAUTOAB-FUHWJXTLSA-N 2 1 276.468 3.872 20 0 CHADMP CCC(CC)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551030098 334236436 /nfs/dbraw/zinc/23/64/36/334236436.db2.gz HNXWWSYZWVPDOT-QZTJIDSGSA-N 2 1 274.452 3.848 20 0 CHADMP CCC(CC)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551030098 334236438 /nfs/dbraw/zinc/23/64/38/334236438.db2.gz HNXWWSYZWVPDOT-QZTJIDSGSA-N 2 1 274.452 3.848 20 0 CHADMP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246164100 334237793 /nfs/dbraw/zinc/23/77/93/334237793.db2.gz IDKXDNHFSDTOIK-GJZGRUSLSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246164100 334237794 /nfs/dbraw/zinc/23/77/94/334237794.db2.gz IDKXDNHFSDTOIK-GJZGRUSLSA-N 2 1 292.854 3.819 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC=CCC2)C[C@H]1c1ccccc1 ZINC000551084385 334238033 /nfs/dbraw/zinc/23/80/33/334238033.db2.gz ZEPAQPKPRLACFH-BZSNNMDCSA-N 2 1 270.420 3.520 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CC=CCC2)C[C@H]1c1ccccc1 ZINC000551084385 334238034 /nfs/dbraw/zinc/23/80/34/334238034.db2.gz ZEPAQPKPRLACFH-BZSNNMDCSA-N 2 1 270.420 3.520 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC=CCC2)C[C@H]1c1ccccc1 ZINC000551084397 334238069 /nfs/dbraw/zinc/23/80/69/334238069.db2.gz ZEPAQPKPRLACFH-SQNIBIBYSA-N 2 1 270.420 3.520 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC=CCC2)C[C@H]1c1ccccc1 ZINC000551084397 334238070 /nfs/dbraw/zinc/23/80/70/334238070.db2.gz ZEPAQPKPRLACFH-SQNIBIBYSA-N 2 1 270.420 3.520 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC=CCC2)C[C@@H]1c1ccccc1 ZINC000551084395 334238081 /nfs/dbraw/zinc/23/80/81/334238081.db2.gz ZEPAQPKPRLACFH-FGTMMUONSA-N 2 1 270.420 3.520 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC=CCC2)C[C@@H]1c1ccccc1 ZINC000551084395 334238082 /nfs/dbraw/zinc/23/80/82/334238082.db2.gz ZEPAQPKPRLACFH-FGTMMUONSA-N 2 1 270.420 3.520 20 0 CHADMP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551084327 334238125 /nfs/dbraw/zinc/23/81/25/334238125.db2.gz WYFYDWQDNRHSNL-OWSLCNJRSA-N 2 1 272.436 3.600 20 0 CHADMP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551084327 334238126 /nfs/dbraw/zinc/23/81/26/334238126.db2.gz WYFYDWQDNRHSNL-OWSLCNJRSA-N 2 1 272.436 3.600 20 0 CHADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCCc2occc21 ZINC000246213727 334241146 /nfs/dbraw/zinc/24/11/46/334241146.db2.gz SHXFXWJAWFBHJA-HOCLYGCPSA-N 2 1 276.424 3.511 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCc2occc21 ZINC000246213727 334241148 /nfs/dbraw/zinc/24/11/48/334241148.db2.gz SHXFXWJAWFBHJA-HOCLYGCPSA-N 2 1 276.424 3.511 20 0 CHADMP C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247079999 334275099 /nfs/dbraw/zinc/27/50/99/334275099.db2.gz NGHJARKRNMOHHV-MAUKXSAKSA-N 2 1 290.426 3.837 20 0 CHADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247079999 334275100 /nfs/dbraw/zinc/27/51/00/334275100.db2.gz NGHJARKRNMOHHV-MAUKXSAKSA-N 2 1 290.426 3.837 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000247080332 334275273 /nfs/dbraw/zinc/27/52/73/334275273.db2.gz OVBOQTJATACSEQ-CLCXKQKWSA-N 2 1 284.447 3.699 20 0 CHADMP FCCCCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000551387067 334248809 /nfs/dbraw/zinc/24/88/09/334248809.db2.gz OABSRSDHOCZYOT-QGZVFWFLSA-N 2 1 284.463 3.714 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2cccc(C)c2)[C@@H](C)C1 ZINC000247082112 334275555 /nfs/dbraw/zinc/27/55/55/334275555.db2.gz QYNXNGBZDWEYGR-WMZOPIPTSA-N 2 1 288.479 3.593 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccs2)C1 ZINC000246493641 334260199 /nfs/dbraw/zinc/26/01/99/334260199.db2.gz SAPXAAHAVSPZAI-HUUCEWRRSA-N 2 1 280.481 3.767 20 0 CHADMP CC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000246759087 334269128 /nfs/dbraw/zinc/26/91/28/334269128.db2.gz QPJRXPDBRWFOPC-DYVFJYSZSA-N 2 1 292.854 3.601 20 0 CHADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000246759087 334269129 /nfs/dbraw/zinc/26/91/29/334269129.db2.gz QPJRXPDBRWFOPC-DYVFJYSZSA-N 2 1 292.854 3.601 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000246759087 334269131 /nfs/dbraw/zinc/26/91/31/334269131.db2.gz QPJRXPDBRWFOPC-DYVFJYSZSA-N 2 1 292.854 3.601 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000246759087 334269133 /nfs/dbraw/zinc/26/91/33/334269133.db2.gz QPJRXPDBRWFOPC-DYVFJYSZSA-N 2 1 292.854 3.601 20 0 CHADMP C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246870795 334270843 /nfs/dbraw/zinc/27/08/43/334270843.db2.gz ALOWLIIRGSEOAN-CRAIPNDOSA-N 2 1 290.426 3.837 20 0 CHADMP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246870795 334270844 /nfs/dbraw/zinc/27/08/44/334270844.db2.gz ALOWLIIRGSEOAN-CRAIPNDOSA-N 2 1 290.426 3.837 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C1CCCC1 ZINC000247240741 334277934 /nfs/dbraw/zinc/27/79/34/334277934.db2.gz YYKUVBWUDRGPQG-HZPDHXFCSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CC=CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248401255 334300377 /nfs/dbraw/zinc/30/03/77/334300377.db2.gz LQSQOFQRMGBBTK-GVDBMIGSSA-N 2 1 276.468 3.585 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1ccoc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248410544 334300620 /nfs/dbraw/zinc/30/06/20/334300620.db2.gz YCSOCGXYONDSHA-ILXRZTDVSA-N 2 1 276.424 3.583 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1ccoc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248410544 334300622 /nfs/dbraw/zinc/30/06/22/334300622.db2.gz YCSOCGXYONDSHA-ILXRZTDVSA-N 2 1 276.424 3.583 20 0 CHADMP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000552246186 334307821 /nfs/dbraw/zinc/30/78/21/334307821.db2.gz MEJKOXXIWIHSAN-RDJZCZTQSA-N 2 1 292.854 3.565 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc3ccccc3s2)C1 ZINC000249079885 334326855 /nfs/dbraw/zinc/32/68/55/334326855.db2.gz CMYIBNHVVWYMGC-KGLIPLIRSA-N 2 1 288.460 3.894 20 0 CHADMP CC[C@H](C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)[NH+]1CCCC1 ZINC000249284424 334331438 /nfs/dbraw/zinc/33/14/38/334331438.db2.gz OTCBBMPHBZOBQN-HZSPNIEDSA-N 2 1 292.389 3.572 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cccc(O)c1 ZINC000249410636 334333612 /nfs/dbraw/zinc/33/36/12/334333612.db2.gz CSYMXYBUBUBLAC-JKSUJKDBSA-N 2 1 290.451 3.555 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)Cc2ccccc2)[C@H](C)C1 ZINC000249420320 334333717 /nfs/dbraw/zinc/33/37/17/334333717.db2.gz HJZIXHJFBXGGFP-LMMKCTJWSA-N 2 1 288.479 3.527 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)Cc2ccccc2)[C@H](C)C1 ZINC000249420320 334333718 /nfs/dbraw/zinc/33/37/18/334333718.db2.gz HJZIXHJFBXGGFP-LMMKCTJWSA-N 2 1 288.479 3.527 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)Cc2ccccc2)[C@H](C)C1 ZINC000249420320 334333719 /nfs/dbraw/zinc/33/37/19/334333719.db2.gz HJZIXHJFBXGGFP-LMMKCTJWSA-N 2 1 288.479 3.527 20 0 CHADMP CCCc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000249446072 334334143 /nfs/dbraw/zinc/33/41/43/334334143.db2.gz NHUBFFCUNLMOPP-YJBOKZPZSA-N 2 1 274.452 3.554 20 0 CHADMP CCCc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000249446072 334334144 /nfs/dbraw/zinc/33/41/44/334334144.db2.gz NHUBFFCUNLMOPP-YJBOKZPZSA-N 2 1 274.452 3.554 20 0 CHADMP CCCc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000249446072 334334146 /nfs/dbraw/zinc/33/41/46/334334146.db2.gz NHUBFFCUNLMOPP-YJBOKZPZSA-N 2 1 274.452 3.554 20 0 CHADMP CCCc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000249446072 334334147 /nfs/dbraw/zinc/33/41/47/334334147.db2.gz NHUBFFCUNLMOPP-YJBOKZPZSA-N 2 1 274.452 3.554 20 0 CHADMP Cc1ccccc1[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000089425610 334344983 /nfs/dbraw/zinc/34/49/83/334344983.db2.gz XIXDUCCUQVDVII-FUHWJXTLSA-N 2 1 272.436 3.616 20 0 CHADMP Cc1ccccc1[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000089425610 334344984 /nfs/dbraw/zinc/34/49/84/334344984.db2.gz XIXDUCCUQVDVII-FUHWJXTLSA-N 2 1 272.436 3.616 20 0 CHADMP Cc1ccccc1[C@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000089425610 334344985 /nfs/dbraw/zinc/34/49/85/334344985.db2.gz XIXDUCCUQVDVII-FUHWJXTLSA-N 2 1 272.436 3.616 20 0 CHADMP Cc1cc2ccccc2nc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250927044 334353531 /nfs/dbraw/zinc/35/35/31/334353531.db2.gz SVVWYJYSLNBPAA-CVEARBPZSA-N 2 1 281.403 3.582 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccs2)C1 ZINC000090586444 334364134 /nfs/dbraw/zinc/36/41/34/334364134.db2.gz SAPXAAHAVSPZAI-GJZGRUSLSA-N 2 1 280.481 3.767 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)o1 ZINC000090586185 334364226 /nfs/dbraw/zinc/36/42/26/334364226.db2.gz IKRXKNJNXGDWEH-HOTGVXAUSA-N 2 1 292.467 3.861 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC000090586185 334364228 /nfs/dbraw/zinc/36/42/28/334364228.db2.gz IKRXKNJNXGDWEH-HOTGVXAUSA-N 2 1 292.467 3.861 20 0 CHADMP CC[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000251836240 334370598 /nfs/dbraw/zinc/37/05/98/334370598.db2.gz QJEQWJZAQUSFNI-OZSLIKBDSA-N 2 1 264.457 3.560 20 0 CHADMP CC[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000251836240 334370599 /nfs/dbraw/zinc/37/05/99/334370599.db2.gz QJEQWJZAQUSFNI-OZSLIKBDSA-N 2 1 264.457 3.560 20 0 CHADMP CCCC1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000252674999 334385240 /nfs/dbraw/zinc/38/52/40/334385240.db2.gz WPAMHESSDJMMPT-BACDZXNISA-N 2 1 264.457 3.562 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c2ccccc21 ZINC000252716316 334386285 /nfs/dbraw/zinc/38/62/85/334386285.db2.gz YDGFBBCVXJRJTD-BODMPHMZSA-N 2 1 272.436 3.555 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c2ccccc21 ZINC000252716316 334386287 /nfs/dbraw/zinc/38/62/87/334386287.db2.gz YDGFBBCVXJRJTD-BODMPHMZSA-N 2 1 272.436 3.555 20 0 CHADMP C[C@H](CCc1ccccc1)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000553469636 334386845 /nfs/dbraw/zinc/38/68/45/334386845.db2.gz XOFPOWJRSZTSTF-MJGOQNOKSA-N 2 1 288.479 3.529 20 0 CHADMP C[C@H](CCc1ccccc1)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000553469636 334386846 /nfs/dbraw/zinc/38/68/46/334386846.db2.gz XOFPOWJRSZTSTF-MJGOQNOKSA-N 2 1 288.479 3.529 20 0 CHADMP C[C@H](CCc1ccccc1)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000553469636 334386847 /nfs/dbraw/zinc/38/68/47/334386847.db2.gz XOFPOWJRSZTSTF-MJGOQNOKSA-N 2 1 288.479 3.529 20 0 CHADMP CC1(C)CC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC(C)(C)C1 ZINC000252738719 334388265 /nfs/dbraw/zinc/38/82/65/334388265.db2.gz FUTFEHPYXNAEFT-ZBFHGGJFSA-N 2 1 278.484 3.808 20 0 CHADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCSc3ccccc32)c2ccccc21 ZINC000252762218 334391056 /nfs/dbraw/zinc/39/10/56/334391056.db2.gz DQJJRZDIGCMGDY-IKGGRYGDSA-N 2 1 296.439 3.958 20 0 CHADMP Cc1ccccc1-c1ccccc1C[NH2+]CCC[NH+]1CCC1 ZINC000565215363 334545555 /nfs/dbraw/zinc/54/55/55/334545555.db2.gz HNGAAOWQIOOKRD-UHFFFAOYSA-N 2 1 294.442 3.847 20 0 CHADMP CC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(OC)cc1 ZINC000262378227 334546639 /nfs/dbraw/zinc/54/66/39/334546639.db2.gz YLYZFVLLNJSFDV-FHWLQOOXSA-N 2 1 296.414 3.881 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2ccco2)cc1 ZINC000155974009 334732729 /nfs/dbraw/zinc/73/27/29/334732729.db2.gz AERPDWDWLBXXLL-AWEZNQCLSA-N 2 1 295.386 3.667 20 0 CHADMP CC[NH2+]CCC[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000567638878 334744889 /nfs/dbraw/zinc/74/48/89/334744889.db2.gz QFJCRHCFEYOMNT-IBGZPJMESA-N 2 1 282.431 3.674 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(C)C)cc1 ZINC000159053267 334819048 /nfs/dbraw/zinc/81/90/48/334819048.db2.gz VUKLQPKWIGSGJM-KGLIPLIRSA-N 2 1 271.408 3.876 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2(C)CC2)CCN1Cc1ccccc1 ZINC000576528226 335215472 /nfs/dbraw/zinc/21/54/72/335215472.db2.gz UKGHYPRQXZEGAT-AEFFLSMTSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)CC2(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000576528226 335215473 /nfs/dbraw/zinc/21/54/73/335215473.db2.gz UKGHYPRQXZEGAT-AEFFLSMTSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)CC2(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000576528226 335215474 /nfs/dbraw/zinc/21/54/74/335215474.db2.gz UKGHYPRQXZEGAT-AEFFLSMTSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H]1C[C@@H]([N@H+](C)CC2(C)CC2)CC[NH+]1Cc1ccccc1 ZINC000576528226 335215475 /nfs/dbraw/zinc/21/54/75/335215475.db2.gz UKGHYPRQXZEGAT-AEFFLSMTSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2(C)CC2)CC[NH+]1Cc1ccccc1 ZINC000576528226 335215476 /nfs/dbraw/zinc/21/54/76/335215476.db2.gz UKGHYPRQXZEGAT-AEFFLSMTSA-N 2 1 286.463 3.771 20 0 CHADMP CCC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000576692829 335235343 /nfs/dbraw/zinc/23/53/43/335235343.db2.gz LEINXIPPGXMXGV-RBUKOAKNSA-N 2 1 288.479 3.718 20 0 CHADMP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCCc2occc21)C(C)(C)C ZINC000192873865 335318585 /nfs/dbraw/zinc/31/85/85/335318585.db2.gz OUSDWIWNHRCDJA-GOEBONIOSA-N 2 1 278.440 3.613 20 0 CHADMP C[N@@H+](CCC[NH2+]C/C=C\c1ccccc1)Cc1ccccc1 ZINC000381812211 336073520 /nfs/dbraw/zinc/07/35/20/336073520.db2.gz HZICWBHWPTUFMW-ZSOIEALJSA-N 2 1 294.442 3.812 20 0 CHADMP C[C@@H]([NH2+]CCC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382026436 336080497 /nfs/dbraw/zinc/08/04/97/336080497.db2.gz BECWBZCYIYVQNO-AEFFLSMTSA-N 2 1 288.479 3.923 20 0 CHADMP Cc1cc[nH+]c(N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000382050451 336080894 /nfs/dbraw/zinc/08/08/94/336080894.db2.gz MNZDFXUZNVSEDI-SJLPKXTDSA-N 2 1 295.430 3.713 20 0 CHADMP Cc1cc[nH+]c(N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000382050451 336080895 /nfs/dbraw/zinc/08/08/95/336080895.db2.gz MNZDFXUZNVSEDI-SJLPKXTDSA-N 2 1 295.430 3.713 20 0 CHADMP CCN(C)c1ccc(CNc2cccc3cc[nH+]cc32)cn1 ZINC000581541495 336097641 /nfs/dbraw/zinc/09/76/41/336097641.db2.gz GKAYNHWQZYQZAN-UHFFFAOYSA-N 2 1 292.386 3.698 20 0 CHADMP CSCC1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000385735095 336155410 /nfs/dbraw/zinc/15/54/10/336155410.db2.gz VETRCUGFJJZEJP-QLQQRZLESA-N 2 1 296.524 3.513 20 0 CHADMP CSCC1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000385735095 336155411 /nfs/dbraw/zinc/15/54/11/336155411.db2.gz VETRCUGFJJZEJP-QLQQRZLESA-N 2 1 296.524 3.513 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000347060932 533771033 /nfs/dbraw/zinc/77/10/33/533771033.db2.gz YCTHGSJOWHAGQT-KGLIPLIRSA-N 2 1 280.843 3.516 20 0 CHADMP Cc1cc2cc(C[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)oc2cc1C ZINC000347040465 534086004 /nfs/dbraw/zinc/08/60/04/534086004.db2.gz HYDNVUFGXMUFKQ-CABCVRRESA-N 2 1 286.419 3.609 20 0 CHADMP C[C@@H]([NH+](C)CCC[N@H+](C)[C@H](C)C1(C)CC1)C1(C)CC1 ZINC000343741076 534285212 /nfs/dbraw/zinc/28/52/12/534285212.db2.gz MXMSZVDWKDCCTP-HUUCEWRRSA-N 2 1 266.473 3.617 20 0 CHADMP CC(C)CCC[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000338436287 519641010 /nfs/dbraw/zinc/64/10/10/519641010.db2.gz MUNILRWUMBSIGW-INIZCTEOSA-N 2 1 254.462 3.524 20 0 CHADMP CC(C)n1cc([C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)cn1 ZINC000155839655 519643909 /nfs/dbraw/zinc/64/39/09/519643909.db2.gz GPOQPAZYYGRYPW-INIZCTEOSA-N 2 1 294.487 3.624 20 0 CHADMP CC(C)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000045039226 519836284 /nfs/dbraw/zinc/83/62/84/519836284.db2.gz AUFLQUJGVKIOKG-AYHJJNSGSA-N 2 1 272.436 3.525 20 0 CHADMP CC1=C[C@H](C)C[C@@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000365660591 520885378 /nfs/dbraw/zinc/88/53/78/520885378.db2.gz GKOSZZMFLIZTSG-IMLUKAASSA-N 2 1 276.468 3.536 20 0 CHADMP CC1=C[C@H](C)C[C@@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000365660591 520885385 /nfs/dbraw/zinc/88/53/85/520885385.db2.gz GKOSZZMFLIZTSG-IMLUKAASSA-N 2 1 276.468 3.536 20 0 CHADMP CC1=C[C@H](C)C[C@@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000365660591 520885391 /nfs/dbraw/zinc/88/53/91/520885391.db2.gz GKOSZZMFLIZTSG-IMLUKAASSA-N 2 1 276.468 3.536 20 0 CHADMP CCC[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccsc1 ZINC000278971376 521161570 /nfs/dbraw/zinc/16/15/70/521161570.db2.gz NOOAQUQBTMJCKN-ZFWWWQNUSA-N 2 1 289.448 3.638 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000130130818 521172142 /nfs/dbraw/zinc/17/21/42/521172142.db2.gz ATNMNTPPCXWJJQ-KURKYZTESA-N 2 1 272.436 3.744 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000291244030 521662824 /nfs/dbraw/zinc/66/28/24/521662824.db2.gz VIYPKKZBQILYJJ-QZTJIDSGSA-N 2 1 297.446 3.714 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000291244030 521662827 /nfs/dbraw/zinc/66/28/27/521662827.db2.gz VIYPKKZBQILYJJ-QZTJIDSGSA-N 2 1 297.446 3.714 20 0 CHADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1cccc(Cl)c1 ZINC000037878825 522563525 /nfs/dbraw/zinc/56/35/25/522563525.db2.gz DOBCNRKFLMUXFK-INIZCTEOSA-N 2 1 280.843 3.865 20 0 CHADMP CC[C@H]([NH2+]CCC[NH+](CC)CC)c1ccccc1F ZINC000163452002 522581339 /nfs/dbraw/zinc/58/13/39/522581339.db2.gz SHJHTNXMONBUGV-INIZCTEOSA-N 2 1 266.404 3.598 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1cccc(Cl)c1F ZINC000161583205 522867034 /nfs/dbraw/zinc/86/70/34/522867034.db2.gz KBADQAPVVQFURU-IUODEOHRSA-N 2 1 298.833 3.862 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cccc(Cl)c1F ZINC000161583205 522867046 /nfs/dbraw/zinc/86/70/46/522867046.db2.gz KBADQAPVVQFURU-IUODEOHRSA-N 2 1 298.833 3.862 20 0 CHADMP C[N@@H+](Cc1cc(Cl)cc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000226452051 523171888 /nfs/dbraw/zinc/17/18/88/523171888.db2.gz KJZOJKRCNYNAFN-AWEZNQCLSA-N 2 1 287.234 3.567 20 0 CHADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(C(F)F)c3)CC[C@H]21 ZINC000279736589 523856476 /nfs/dbraw/zinc/85/64/76/523856476.db2.gz OKHZQUWPVDPDTK-JKSUJKDBSA-N 2 1 294.389 3.540 20 0 CHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(C(F)F)c3)CC[C@H]21 ZINC000279736589 523856477 /nfs/dbraw/zinc/85/64/77/523856477.db2.gz OKHZQUWPVDPDTK-JKSUJKDBSA-N 2 1 294.389 3.540 20 0 CHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(C(F)F)c3)CC[C@H]21 ZINC000279736589 523856479 /nfs/dbraw/zinc/85/64/79/523856479.db2.gz OKHZQUWPVDPDTK-JKSUJKDBSA-N 2 1 294.389 3.540 20 0 CHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(C(F)F)c3)CC[C@H]21 ZINC000279736589 523856480 /nfs/dbraw/zinc/85/64/80/523856480.db2.gz OKHZQUWPVDPDTK-JKSUJKDBSA-N 2 1 294.389 3.540 20 0 CHADMP CCc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000130145510 524047335 /nfs/dbraw/zinc/04/73/35/524047335.db2.gz SWPJMDRTXBSCHN-JCGIZDLHSA-N 2 1 272.436 3.526 20 0 CHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(Cl)o2)C1 ZINC000340426856 524088629 /nfs/dbraw/zinc/08/86/29/524088629.db2.gz JUWFNUHRYLEOOD-ZDUSSCGKSA-N 2 1 284.831 3.535 20 0 CHADMP Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1C ZINC000278908357 524333762 /nfs/dbraw/zinc/33/37/62/524333762.db2.gz GNBHRXHDQXALKF-DLBZAZTESA-N 2 1 297.446 3.722 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000129665628 524920295 /nfs/dbraw/zinc/92/02/95/524920295.db2.gz JNZNKAWWMVEMRZ-XJKSGUPXSA-N 2 1 294.870 3.690 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2CC(c3ccccc3Cl)C2)CC[N@@H+]1C ZINC000157657943 524920376 /nfs/dbraw/zinc/92/03/76/524920376.db2.gz BWLPWQYEYQLUPC-FGZQJIAISA-N 2 1 292.854 3.658 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2CC(c3ccccc3Cl)C2)CC[N@H+]1C ZINC000157657943 524920386 /nfs/dbraw/zinc/92/03/86/524920386.db2.gz BWLPWQYEYQLUPC-FGZQJIAISA-N 2 1 292.854 3.658 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cc(F)cc(F)c1 ZINC000094827057 525293235 /nfs/dbraw/zinc/29/32/35/525293235.db2.gz YYQJCYMPICRJTR-LBPRGKRZSA-N 2 1 296.405 3.878 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)CC[N@@H+]1C ZINC000275418903 525444793 /nfs/dbraw/zinc/44/47/93/525444793.db2.gz BUNUEIVYMMTDJA-AETAKHFUSA-N 2 1 290.426 3.534 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)CC[N@H+]1C ZINC000275418903 525444802 /nfs/dbraw/zinc/44/48/02/525444802.db2.gz BUNUEIVYMMTDJA-AETAKHFUSA-N 2 1 290.426 3.534 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)CC[N@@H+]1C ZINC000275418908 525447987 /nfs/dbraw/zinc/44/79/87/525447987.db2.gz BUNUEIVYMMTDJA-HUHSQHJXSA-N 2 1 290.426 3.534 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)CC[N@H+]1C ZINC000275418908 525447995 /nfs/dbraw/zinc/44/79/95/525447995.db2.gz BUNUEIVYMMTDJA-HUHSQHJXSA-N 2 1 290.426 3.534 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1nccc2ccccc21 ZINC000290710537 525559867 /nfs/dbraw/zinc/55/98/67/525559867.db2.gz NWQOKUWXXMBAEB-USXIJHARSA-N 2 1 297.446 3.758 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)c(Cl)c1 ZINC000130195340 525570941 /nfs/dbraw/zinc/57/09/41/525570941.db2.gz JBDVGDYIFOLZSY-IACUBPJLSA-N 2 1 296.817 3.757 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)c(Cl)c1 ZINC000130195580 525642406 /nfs/dbraw/zinc/64/24/06/525642406.db2.gz JBDVGDYIFOLZSY-MRVWCRGKSA-N 2 1 296.817 3.757 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)o1 ZINC000157952877 525725361 /nfs/dbraw/zinc/72/53/61/525725361.db2.gz FMYMWMCDGNEQMZ-GOEBONIOSA-N 2 1 278.440 3.751 20 0 CHADMP Cc1ccsc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000125833980 525869437 /nfs/dbraw/zinc/86/94/37/525869437.db2.gz ROVLIPWLSNWMRH-HUUCEWRRSA-N 2 1 280.481 3.828 20 0 CHADMP c1cc([NH+]2CCCCC2)ccc1NC1CC[NH+](C2CC2)CC1 ZINC000297990199 526431323 /nfs/dbraw/zinc/43/13/23/526431323.db2.gz YQWVRNROBKQDTD-UHFFFAOYSA-N 2 1 299.462 3.716 20 0 CHADMP c1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140949 526502590 /nfs/dbraw/zinc/50/25/90/526502590.db2.gz OYNPXTWWPNOFKS-IBGZPJMESA-N 2 1 284.447 3.671 20 0 CHADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000044527776 527233475 /nfs/dbraw/zinc/23/34/75/527233475.db2.gz BTEXDGFMQBTXPR-QGZVFWFLSA-N 2 1 280.415 3.524 20 0 CHADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)C2CC2)c2ccccc21 ZINC000227537791 527377495 /nfs/dbraw/zinc/37/74/95/527377495.db2.gz ZXWJXWNFOGBAIK-QYZOEREBSA-N 2 1 278.399 3.872 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CC(F)(F)C2)cc1 ZINC000277213479 527380647 /nfs/dbraw/zinc/38/06/47/527380647.db2.gz WUYAYYOXWJBHGX-NSHDSACASA-N 2 1 291.345 3.629 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000275845503 527425058 /nfs/dbraw/zinc/42/50/58/527425058.db2.gz KCSLRMVMZQYYIE-RBUKOAKNSA-N 2 1 297.446 3.682 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCc2ccc(C)cc21 ZINC000270005548 527425267 /nfs/dbraw/zinc/42/52/67/527425267.db2.gz ZOUJIDPVICIZII-SFHVURJKSA-N 2 1 283.419 3.557 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(SC)cc2)C[C@H]1C ZINC000353749027 527836411 /nfs/dbraw/zinc/83/64/11/527836411.db2.gz RQNCJCZFQLSNPE-ZBFHGGJFSA-N 2 1 292.492 3.713 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(SC)cc2)C[C@H]1C ZINC000353749027 527836416 /nfs/dbraw/zinc/83/64/16/527836416.db2.gz RQNCJCZFQLSNPE-ZBFHGGJFSA-N 2 1 292.492 3.713 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(SC)cc2)C[C@H]1C ZINC000353749027 527836420 /nfs/dbraw/zinc/83/64/20/527836420.db2.gz RQNCJCZFQLSNPE-ZBFHGGJFSA-N 2 1 292.492 3.713 20 0 CHADMP CC(C)C[N@H+](Cc1ncc(C[NH+](C)C)s1)C1CCCC1 ZINC000347611643 527953870 /nfs/dbraw/zinc/95/38/70/527953870.db2.gz MYKVGLIJDXSSTO-UHFFFAOYSA-N 2 1 295.496 3.605 20 0 CHADMP CC(C)C[N@@H+](Cc1ncc(C[NH+](C)C)s1)C1CCCC1 ZINC000347611643 527953877 /nfs/dbraw/zinc/95/38/77/527953877.db2.gz MYKVGLIJDXSSTO-UHFFFAOYSA-N 2 1 295.496 3.605 20 0 CHADMP CCCC[C@@H]([NH2+]CCCn1cc[nH+]c1C)C1CCC1 ZINC000347926925 528855138 /nfs/dbraw/zinc/85/51/38/528855138.db2.gz ZGUQGFMGDWUVJB-MRXNPFEDSA-N 2 1 263.429 3.530 20 0 CHADMP CC(C)[NH+](CCC[NH2+][C@@H]1CCCc2occc21)C(C)C ZINC000192923399 528886010 /nfs/dbraw/zinc/88/60/10/528886010.db2.gz YWWANBOSLBZVSN-MRXNPFEDSA-N 2 1 278.440 3.756 20 0 CHADMP CC1(C)CCC[C@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192930281 528994061 /nfs/dbraw/zinc/99/40/61/528994061.db2.gz NOWSEDUHSGJZLE-QZTJIDSGSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C1(C)CC1 ZINC000126871677 1125457291 /nfs/dbraw/zinc/45/72/91/1125457291.db2.gz UMTULRGNTZTJRK-HUUCEWRRSA-N 2 1 292.492 3.738 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1(C)CC1 ZINC000126871677 1125457293 /nfs/dbraw/zinc/45/72/93/1125457293.db2.gz UMTULRGNTZTJRK-HUUCEWRRSA-N 2 1 292.492 3.738 20 0 CHADMP Clc1ccc2c(c1)CC[C@@H]2N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000222023632 1125471687 /nfs/dbraw/zinc/47/16/87/1125471687.db2.gz DVASDGPRIGEZMZ-BBWFWOEESA-N 2 1 290.838 3.544 20 0 CHADMP Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000222023632 1125471688 /nfs/dbraw/zinc/47/16/88/1125471688.db2.gz DVASDGPRIGEZMZ-BBWFWOEESA-N 2 1 290.838 3.544 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(C)c(F)c(C)c1 ZINC001143385047 1118522359 /nfs/dbraw/zinc/52/23/59/1118522359.db2.gz MJRRFQUZEJZUAC-UHFFFAOYSA-N 2 1 280.431 3.606 20 0 CHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1C=CCCCCC1 ZINC001167509067 1118969936 /nfs/dbraw/zinc/96/99/36/1118969936.db2.gz KQHACZFUQXLOOM-DLBZAZTESA-N 2 1 264.457 3.682 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@H]1C=CCCCCC1 ZINC001167509067 1118969939 /nfs/dbraw/zinc/96/99/39/1118969939.db2.gz KQHACZFUQXLOOM-DLBZAZTESA-N 2 1 264.457 3.682 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@H]1C=CCCCCC1 ZINC001167509067 1118969944 /nfs/dbraw/zinc/96/99/44/1118969944.db2.gz KQHACZFUQXLOOM-DLBZAZTESA-N 2 1 264.457 3.682 20 0 CHADMP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114480198 1125497772 /nfs/dbraw/zinc/49/77/72/1125497772.db2.gz RRKINSLUGLEDAX-CJNGLKHVSA-N 2 1 280.843 3.675 20 0 CHADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114480198 1125497773 /nfs/dbraw/zinc/49/77/73/1125497773.db2.gz RRKINSLUGLEDAX-CJNGLKHVSA-N 2 1 280.843 3.675 20 0 CHADMP Cc1nc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)sc1C ZINC000892584051 1119958171 /nfs/dbraw/zinc/95/81/71/1119958171.db2.gz GSYCAJHJTAECFP-CYBMUJFWSA-N 2 1 295.496 3.504 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C(F)F ZINC000658229245 1121235883 /nfs/dbraw/zinc/23/58/83/1121235883.db2.gz BBAUSGXFSWGZKW-STQMWFEESA-N 2 1 288.426 3.663 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)C(C)(C)C(F)F ZINC000658229245 1121235891 /nfs/dbraw/zinc/23/58/91/1121235891.db2.gz BBAUSGXFSWGZKW-STQMWFEESA-N 2 1 288.426 3.663 20 0 CHADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001177261531 1121720190 /nfs/dbraw/zinc/72/01/90/1121720190.db2.gz FTSBFDANKSSUOV-YYIAUSFCSA-N 2 1 280.500 3.911 20 0 CHADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001177261531 1121720195 /nfs/dbraw/zinc/72/01/95/1121720195.db2.gz FTSBFDANKSSUOV-YYIAUSFCSA-N 2 1 280.500 3.911 20 0 CHADMP CCC[N@H+](C[C@H](C)[NH3+])[C@H](C)c1cc2ccccc2o1 ZINC000420295786 1121995587 /nfs/dbraw/zinc/99/55/87/1121995587.db2.gz ASNVLDYBTLLFRE-QWHCGFSZSA-N 2 1 260.381 3.553 20 0 CHADMP CCC[N@@H+](C[C@H](C)[NH3+])[C@H](C)c1cc2ccccc2o1 ZINC000420295786 1121995590 /nfs/dbraw/zinc/99/55/90/1121995590.db2.gz ASNVLDYBTLLFRE-QWHCGFSZSA-N 2 1 260.381 3.553 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001182249301 1122123994 /nfs/dbraw/zinc/12/39/94/1122123994.db2.gz FLKDXCOJQPUYQR-BRWVUGGUSA-N 2 1 266.473 3.524 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(C)c1Cl ZINC001205295612 1122271696 /nfs/dbraw/zinc/27/16/96/1122271696.db2.gz APPDYNFXZMNRSK-INIZCTEOSA-N 2 1 280.843 3.660 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1)C1CCC1 ZINC000436297044 1122535133 /nfs/dbraw/zinc/53/51/33/1122535133.db2.gz LWNMMLNLIQAGTG-WMLDXEAASA-N 2 1 264.457 3.562 20 0 CHADMP C[C@@H]1CCC[N@H+](CCCCNc2cc[nH+]cc2Cl)C1 ZINC000301498203 1123905472 /nfs/dbraw/zinc/90/54/72/1123905472.db2.gz DMMCOSMPWHFPOM-CYBMUJFWSA-N 2 1 281.831 3.659 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCCNc2cc[nH+]cc2Cl)C1 ZINC000301498203 1123905476 /nfs/dbraw/zinc/90/54/76/1123905476.db2.gz DMMCOSMPWHFPOM-CYBMUJFWSA-N 2 1 281.831 3.659 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)C1 ZINC000449129624 1124653422 /nfs/dbraw/zinc/65/34/22/1124653422.db2.gz CYNZLLUTJXIFBG-YYIAUSFCSA-N 2 1 266.473 3.521 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)C2CCCCC2)[C@H](C)C1 ZINC000532467855 1125396638 /nfs/dbraw/zinc/39/66/38/1125396638.db2.gz HZGGWRYMCBUAOC-UXLLHSPISA-N 2 1 266.473 3.523 20 0 CHADMP CCCCCC1CCC([N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246595192 1131710187 /nfs/dbraw/zinc/71/01/87/1131710187.db2.gz XMQYEOPFWAIGQH-GQGLESIBSA-N 2 1 284.463 3.887 20 0 CHADMP CCCCCC[C@@H](CCC)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001246648506 1131776289 /nfs/dbraw/zinc/77/62/89/1131776289.db2.gz LZCWUATYXZGUAO-IAGOWNOFSA-N 2 1 266.473 3.953 20 0 CHADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)C1 ZINC001172368815 1132194593 /nfs/dbraw/zinc/19/45/93/1132194593.db2.gz JJLOUKVLCVDWRV-QXSJWSMHSA-N 2 1 266.473 3.664 20 0 CHADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)C1 ZINC001172368815 1132194596 /nfs/dbraw/zinc/19/45/96/1132194596.db2.gz JJLOUKVLCVDWRV-QXSJWSMHSA-N 2 1 266.473 3.664 20 0 CHADMP CCCC[C@H](CC(C)C)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC001173254762 1132423201 /nfs/dbraw/zinc/42/32/01/1132423201.db2.gz AXVKZYKKPWVXOD-OAGGEKHMSA-N 2 1 254.462 3.521 20 0 CHADMP CCCC[C@H](CC(C)C)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC001173254762 1132423208 /nfs/dbraw/zinc/42/32/08/1132423208.db2.gz AXVKZYKKPWVXOD-OAGGEKHMSA-N 2 1 254.462 3.521 20 0 CHADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCCCCCC[NH3+] ZINC000842472666 1132432910 /nfs/dbraw/zinc/43/29/10/1132432910.db2.gz HQDIGTXFMOOTML-OWCLPIDISA-N 2 1 252.446 3.549 20 0 CHADMP CSc1ccc(Cl)cc1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206805717 1133750668 /nfs/dbraw/zinc/75/06/68/1133750668.db2.gz CWCJDZQVIJTEPX-RYUDHWBXSA-N 2 1 298.883 3.621 20 0 CHADMP CSc1ccc(Cl)cc1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206805717 1133750673 /nfs/dbraw/zinc/75/06/73/1133750673.db2.gz CWCJDZQVIJTEPX-RYUDHWBXSA-N 2 1 298.883 3.621 20 0 CHADMP CC/C=C\CCCCCC[N@@H+](C)C1CCN(C)CC1 ZINC001209285115 1134001684 /nfs/dbraw/zinc/00/16/84/1134001684.db2.gz AGQZWBDIBYQQQT-WAYWQWQTSA-N 2 1 266.473 3.929 20 0 CHADMP CC/C=C\CCCCCC[N@H+](C)C1CC[NH+](C)CC1 ZINC001209285115 1134001689 /nfs/dbraw/zinc/00/16/89/1134001689.db2.gz AGQZWBDIBYQQQT-WAYWQWQTSA-N 2 1 266.473 3.929 20 0 CHADMP CC/C=C\CCCCCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001209285115 1134001694 /nfs/dbraw/zinc/00/16/94/1134001694.db2.gz AGQZWBDIBYQQQT-WAYWQWQTSA-N 2 1 266.473 3.929 20 0 CHADMP CC(C)[NH+](CC[NH2+][C@H]1CC[C@@H](C)[C@H](C)C1)C(C)C ZINC000251850139 1125516383 /nfs/dbraw/zinc/51/63/83/1125516383.db2.gz OXSJWDPFFSPECS-OAGGEKHMSA-N 2 1 254.462 3.520 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1nccs1 ZINC000245543108 1125579231 /nfs/dbraw/zinc/57/92/31/1125579231.db2.gz SCZTYVSWTUZIMB-QLFBSQMISA-N 2 1 295.496 3.552 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000245744549 1125593723 /nfs/dbraw/zinc/59/37/23/1125593723.db2.gz MNRJQLQNZJQCLB-DZGCQCFKSA-N 2 1 286.419 3.656 20 0 CHADMP Cc1oc2ccccc2c1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245744549 1125593731 /nfs/dbraw/zinc/59/37/31/1125593731.db2.gz MNRJQLQNZJQCLB-DZGCQCFKSA-N 2 1 286.419 3.656 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245744549 1125593732 /nfs/dbraw/zinc/59/37/32/1125593732.db2.gz MNRJQLQNZJQCLB-DZGCQCFKSA-N 2 1 286.419 3.656 20 0 CHADMP Cc1cccc2c(C[NH+]3CCC([NH+]4CCCC4)CC3)c[nH]c21 ZINC000139545251 1125602843 /nfs/dbraw/zinc/60/28/43/1125602843.db2.gz FVEIHABUYIVBRQ-UHFFFAOYSA-N 2 1 297.446 3.537 20 0 CHADMP Cc1cc(C)cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000533534708 1125614448 /nfs/dbraw/zinc/61/44/48/1125614448.db2.gz MYGPGYZQOYSKRM-ICSRJNTNSA-N 2 1 298.474 3.752 20 0 CHADMP Cc1cc(C)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000533534708 1125614455 /nfs/dbraw/zinc/61/44/55/1125614455.db2.gz MYGPGYZQOYSKRM-ICSRJNTNSA-N 2 1 298.474 3.752 20 0 CHADMP CO[C@@H]1CCC[C@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000885923413 1125626877 /nfs/dbraw/zinc/62/68/77/1125626877.db2.gz ZMAZMDGNGVWVSL-OKZBNKHCSA-N 2 1 296.499 3.578 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCSc3ccccc32)[C@@H](C)C1 ZINC000246971135 1125651682 /nfs/dbraw/zinc/65/16/82/1125651682.db2.gz JEFMJIQKJPGPDN-BPUTZDHNSA-N 2 1 290.476 3.543 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCSc3ccccc32)[C@H](C)C1 ZINC000246971187 1125652130 /nfs/dbraw/zinc/65/21/30/1125652130.db2.gz JEFMJIQKJPGPDN-KBMXLJTQSA-N 2 1 290.476 3.543 20 0 CHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccco1 ZINC000248409030 1125666846 /nfs/dbraw/zinc/66/68/46/1125666846.db2.gz WDXZVXYCOFCCIO-KKUMJFAQSA-N 2 1 276.424 3.583 20 0 CHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccco1 ZINC000248409030 1125666849 /nfs/dbraw/zinc/66/68/49/1125666849.db2.gz WDXZVXYCOFCCIO-KKUMJFAQSA-N 2 1 276.424 3.583 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000248403990 1125667518 /nfs/dbraw/zinc/66/75/18/1125667518.db2.gz PJCPGKAVYNRHDI-JYJNAYRXSA-N 2 1 290.451 3.892 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000248403990 1125667524 /nfs/dbraw/zinc/66/75/24/1125667524.db2.gz PJCPGKAVYNRHDI-JYJNAYRXSA-N 2 1 290.451 3.892 20 0 CHADMP Cc1cncc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000248732936 1125674409 /nfs/dbraw/zinc/67/44/09/1125674409.db2.gz PBWLWDIIHPGPKT-NVXWUHKLSA-N 2 1 289.467 3.553 20 0 CHADMP CC(C)C1([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886615258 1125698210 /nfs/dbraw/zinc/69/82/10/1125698210.db2.gz BQGCQFMSFYAELL-OTWHNJEPSA-N 2 1 298.474 3.818 20 0 CHADMP Cc1[nH]c(C2CC[NH+](CC3CC4(CCC4)C3)CC2)[nH+]c1C ZINC000886659499 1125703522 /nfs/dbraw/zinc/70/35/22/1125703522.db2.gz NXWAHYOLWBOZNT-UHFFFAOYSA-N 2 1 287.451 3.786 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)Cc2cc3ccccc3s2)CC[N@@H+]1C ZINC000093643977 1125770112 /nfs/dbraw/zinc/77/01/12/1125770112.db2.gz KDQBBFPOBNITPK-UKRRQHHQSA-N 2 1 288.460 3.816 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)Cc2cc3ccccc3s2)CC[N@H+]1C ZINC000093643977 1125770116 /nfs/dbraw/zinc/77/01/16/1125770116.db2.gz KDQBBFPOBNITPK-UKRRQHHQSA-N 2 1 288.460 3.816 20 0 CHADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cc3ccccc3s2)CC[NH+]1C ZINC000093643977 1125770124 /nfs/dbraw/zinc/77/01/24/1125770124.db2.gz KDQBBFPOBNITPK-UKRRQHHQSA-N 2 1 288.460 3.816 20 0 CHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc3ccccc3s2)CC[NH+]1C ZINC000093643977 1125770132 /nfs/dbraw/zinc/77/01/32/1125770132.db2.gz KDQBBFPOBNITPK-UKRRQHHQSA-N 2 1 288.460 3.816 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cc3ccccc3s2)CC[N@@H+]1C ZINC000093643979 1125770968 /nfs/dbraw/zinc/77/09/68/1125770968.db2.gz KDQBBFPOBNITPK-HIFRSBDPSA-N 2 1 288.460 3.816 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cc3ccccc3s2)CC[N@H+]1C ZINC000093643979 1125770975 /nfs/dbraw/zinc/77/09/75/1125770975.db2.gz KDQBBFPOBNITPK-HIFRSBDPSA-N 2 1 288.460 3.816 20 0 CHADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc3ccccc3s2)CC[NH+]1C ZINC000093643979 1125770980 /nfs/dbraw/zinc/77/09/80/1125770980.db2.gz KDQBBFPOBNITPK-HIFRSBDPSA-N 2 1 288.460 3.816 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc3ccccc3s2)CC[NH+]1C ZINC000093643979 1125770985 /nfs/dbraw/zinc/77/09/85/1125770985.db2.gz KDQBBFPOBNITPK-HIFRSBDPSA-N 2 1 288.460 3.816 20 0 CHADMP Cc1cc(Cl)cc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000508732269 1125784834 /nfs/dbraw/zinc/78/48/34/1125784834.db2.gz GINZCXKXPKBGKJ-BBRMVZONSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(Cl)cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000508732269 1125784842 /nfs/dbraw/zinc/78/48/42/1125784842.db2.gz GINZCXKXPKBGKJ-BBRMVZONSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(Cl)cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000508732269 1125784850 /nfs/dbraw/zinc/78/48/50/1125784850.db2.gz GINZCXKXPKBGKJ-BBRMVZONSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(Cl)cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000508732269 1125784857 /nfs/dbraw/zinc/78/48/57/1125784857.db2.gz GINZCXKXPKBGKJ-BBRMVZONSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(Cl)cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000508732269 1125784864 /nfs/dbraw/zinc/78/48/64/1125784864.db2.gz GINZCXKXPKBGKJ-BBRMVZONSA-N 2 1 280.843 3.563 20 0 CHADMP CC(C)(C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903122185 1130116645 /nfs/dbraw/zinc/11/66/45/1130116645.db2.gz XBBDMKHKJHOMGF-VHRNVKJDSA-N 2 1 264.457 3.560 20 0 CHADMP CC(C)CCC[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001170088187 1130202019 /nfs/dbraw/zinc/20/20/19/1130202019.db2.gz PAEORZAFWCRKPM-MRXNPFEDSA-N 2 1 266.473 3.619 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)c1 ZINC000337990112 1126706570 /nfs/dbraw/zinc/70/65/70/1126706570.db2.gz CBCWLHOYZQPEMC-MOPGFXCFSA-N 2 1 286.463 3.807 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)C[C@@H](C)CC(C)C ZINC000338014407 1126710369 /nfs/dbraw/zinc/71/03/69/1126710369.db2.gz GUMYDTZDWOYIQR-LSDHHAIUSA-N 2 1 265.445 3.632 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000338015429 1126710430 /nfs/dbraw/zinc/71/04/30/1126710430.db2.gz SUDGKOBYYFMZSA-OAHLLOKOSA-N 2 1 297.446 3.811 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]C(CC(C)C)CC(C)C ZINC000338017883 1126711365 /nfs/dbraw/zinc/71/13/65/1126711365.db2.gz XIXQLRGVENJDJI-UHFFFAOYSA-N 2 1 265.445 3.632 20 0 CHADMP C[C@@H]1CC[C@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170120124 1130277580 /nfs/dbraw/zinc/27/75/80/1130277580.db2.gz FHTAHRZMEDWFSH-SRABZTEZSA-N 2 1 264.457 3.690 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000556037538 1126729533 /nfs/dbraw/zinc/72/95/33/1126729533.db2.gz COPYJUFZYHESSL-RBUKOAKNSA-N 2 1 298.405 3.751 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000556037538 1126729537 /nfs/dbraw/zinc/72/95/37/1126729537.db2.gz COPYJUFZYHESSL-RBUKOAKNSA-N 2 1 298.405 3.751 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000482358666 1126752700 /nfs/dbraw/zinc/75/27/00/1126752700.db2.gz OTNVLTJEAUEFAU-KSSFIOAISA-N 2 1 290.426 3.523 20 0 CHADMP C[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000483135680 1126768920 /nfs/dbraw/zinc/76/89/20/1126768920.db2.gz GKNYMUPTEFATOJ-DRRXZNNHSA-N 2 1 266.473 3.521 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC2CCCCC2)[C@H](C)C1 ZINC000483252912 1126775614 /nfs/dbraw/zinc/77/56/14/1126775614.db2.gz ARXCEEFCCHOFSB-NVXWUHKLSA-N 2 1 266.473 3.619 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC2CCCCC2)[C@H](C)C1 ZINC000483252912 1126775615 /nfs/dbraw/zinc/77/56/15/1126775615.db2.gz ARXCEEFCCHOFSB-NVXWUHKLSA-N 2 1 266.473 3.619 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC2CCCCC2)[C@H](C)C1 ZINC000483252912 1126775616 /nfs/dbraw/zinc/77/56/16/1126775616.db2.gz ARXCEEFCCHOFSB-NVXWUHKLSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H]1CCC[C@H](CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000483504736 1126789874 /nfs/dbraw/zinc/78/98/74/1126789874.db2.gz OFFIKGWKQKRWSQ-BDXSIMOUSA-N 2 1 278.484 3.619 20 0 CHADMP C[C@@H]1CCC[C@H](CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000483504740 1126790223 /nfs/dbraw/zinc/79/02/23/1126790223.db2.gz OFFIKGWKQKRWSQ-TVFCKZIOSA-N 2 1 278.484 3.619 20 0 CHADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251769110 1126794616 /nfs/dbraw/zinc/79/46/16/1126794616.db2.gz MIIDNYJTCMSJSJ-WQVCFCJDSA-N 2 1 280.843 3.850 20 0 CHADMP CC(C)[NH+](CCC[NH2+][C@H](C)c1ccc(F)cc1)C(C)C ZINC000483847008 1126802426 /nfs/dbraw/zinc/80/24/26/1126802426.db2.gz DBNISVIRSIIHLM-OAHLLOKOSA-N 2 1 280.431 3.985 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CCc2csc3ccccc23)CC[N@H+]1C ZINC000178047211 1126808853 /nfs/dbraw/zinc/80/88/53/1126808853.db2.gz OBXYOZHZQHDSKX-DZGCQCFKSA-N 2 1 288.460 3.516 20 0 CHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cncs1 ZINC000484287765 1126814014 /nfs/dbraw/zinc/81/40/14/1126814014.db2.gz HAAVTSQMRQVCDW-KKUMJFAQSA-N 2 1 295.496 3.694 20 0 CHADMP CC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000178697980 1126818376 /nfs/dbraw/zinc/81/83/76/1126818376.db2.gz AMKLVTWVPTXFKK-WMLDXEAASA-N 2 1 271.408 3.569 20 0 CHADMP C[C@H](NCCC[N@H+]1CCCC[C@H]1C)c1ccc(Cl)nc1 ZINC000179096942 1126823188 /nfs/dbraw/zinc/82/31/88/1126823188.db2.gz SOHQVJQQLSYGLZ-KGLIPLIRSA-N 2 1 295.858 3.650 20 0 CHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(Cl)nc1 ZINC000179096942 1126823190 /nfs/dbraw/zinc/82/31/90/1126823190.db2.gz SOHQVJQQLSYGLZ-KGLIPLIRSA-N 2 1 295.858 3.650 20 0 CHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(Cl)nc1 ZINC000179096942 1126823192 /nfs/dbraw/zinc/82/31/92/1126823192.db2.gz SOHQVJQQLSYGLZ-KGLIPLIRSA-N 2 1 295.858 3.650 20 0 CHADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(C(F)F)c(F)c1 ZINC000904301992 1126844083 /nfs/dbraw/zinc/84/40/83/1126844083.db2.gz RRPGWFBTSIGVEZ-YHWZYXNKSA-N 2 1 298.352 3.608 20 0 CHADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(C(F)F)c(F)c1 ZINC000904301992 1126844084 /nfs/dbraw/zinc/84/40/84/1126844084.db2.gz RRPGWFBTSIGVEZ-YHWZYXNKSA-N 2 1 298.352 3.608 20 0 CHADMP C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904325226 1126845684 /nfs/dbraw/zinc/84/56/84/1126845684.db2.gz SZNRFVWABRZWIO-JXFSHQFZSA-N 2 1 280.843 3.501 20 0 CHADMP [NH3+][C@H](C[NH2+][C@@H]1CCC[C@@H](c2ccccc2)CC1)CC(F)F ZINC000904470626 1126853476 /nfs/dbraw/zinc/85/34/76/1126853476.db2.gz ZQLVPMZIDWGMPM-OWCLPIDISA-N 2 1 296.405 3.675 20 0 CHADMP c1ccc2c(c1)CCC[C@@H]2[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252413197 1126853604 /nfs/dbraw/zinc/85/36/04/1126853604.db2.gz CBUBNWBCBHBOAX-UHOSZYNNSA-N 2 1 284.447 3.528 20 0 CHADMP CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000181741689 1126860822 /nfs/dbraw/zinc/86/08/22/1126860822.db2.gz GTKCRORRHZHCMO-DLBZAZTESA-N 2 1 298.434 3.634 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235016849 1130702907 /nfs/dbraw/zinc/70/29/07/1130702907.db2.gz IXMLKLAHHGDAIX-OPCNFVSTSA-N 2 1 264.457 3.587 20 0 CHADMP CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1cccnc1 ZINC000185357798 1126899406 /nfs/dbraw/zinc/89/94/06/1126899406.db2.gz RJWFYQCKLYMQBD-WMZOPIPTSA-N 2 1 289.467 3.633 20 0 CHADMP C[C@H](CC[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000668459269 1126899498 /nfs/dbraw/zinc/89/94/98/1126899498.db2.gz RRKXYTMTMZKXSN-NVXWUHKLSA-N 2 1 274.452 3.643 20 0 CHADMP C[C@H](CC[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000668459269 1126899500 /nfs/dbraw/zinc/89/95/00/1126899500.db2.gz RRKXYTMTMZKXSN-NVXWUHKLSA-N 2 1 274.452 3.643 20 0 CHADMP C[C@H](CC[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000668459316 1126899714 /nfs/dbraw/zinc/89/97/14/1126899714.db2.gz RRKXYTMTMZKXSN-WBVHZDCISA-N 2 1 274.452 3.643 20 0 CHADMP C[C@H](CC[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000668459316 1126899719 /nfs/dbraw/zinc/89/97/19/1126899719.db2.gz RRKXYTMTMZKXSN-WBVHZDCISA-N 2 1 274.452 3.643 20 0 CHADMP CC/C=C\CCCCC[N@H+]1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001235398732 1130738842 /nfs/dbraw/zinc/73/88/42/1130738842.db2.gz WWARKGADRJOZIQ-MYIWKSEUSA-N 2 1 282.447 3.522 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000187718322 1126913955 /nfs/dbraw/zinc/91/39/55/1126913955.db2.gz VUBISRZHFBWLOR-ICSRJNTNSA-N 2 1 298.474 3.713 20 0 CHADMP CC[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485465622 1126916015 /nfs/dbraw/zinc/91/60/15/1126916015.db2.gz IYGSAZICJPLAQU-QGZVFWFLSA-N 2 1 286.463 3.773 20 0 CHADMP Cc1nccn1CCC[N@H+](C)Cc1cc(Cl)ccc1F ZINC000189733663 1126933848 /nfs/dbraw/zinc/93/38/48/1126933848.db2.gz YOAPPTPARJDJMY-UHFFFAOYSA-N 2 1 295.789 3.506 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000189733663 1126933850 /nfs/dbraw/zinc/93/38/50/1126933850.db2.gz YOAPPTPARJDJMY-UHFFFAOYSA-N 2 1 295.789 3.506 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cccc(O)c1 ZINC000194852225 1126976905 /nfs/dbraw/zinc/97/69/05/1126976905.db2.gz IKAXWSXHDYYZTD-HOTGVXAUSA-N 2 1 290.451 3.697 20 0 CHADMP Cc1cc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc(C)c1Cl ZINC001236214573 1130891227 /nfs/dbraw/zinc/89/12/27/1130891227.db2.gz GADIMZJINLZAPD-CABCVRRESA-N 2 1 280.843 3.659 20 0 CHADMP Cc1cc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc(C)c1Cl ZINC001236214573 1130891234 /nfs/dbraw/zinc/89/12/34/1130891234.db2.gz GADIMZJINLZAPD-CABCVRRESA-N 2 1 280.843 3.659 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)[C@H]1CC1(C)C ZINC000486950110 1127011225 /nfs/dbraw/zinc/01/12/25/1127011225.db2.gz KNWFOFCPJQPKQW-BZUAXINKSA-N 2 1 266.473 3.523 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000268777416 1127023629 /nfs/dbraw/zinc/02/36/29/1127023629.db2.gz BRCLDFKGBPIXJT-AWEZNQCLSA-N 2 1 297.402 3.987 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCc2sccc21 ZINC000268905966 1127027760 /nfs/dbraw/zinc/02/77/60/1127027760.db2.gz NEOZIXBNNVMBRR-IUODEOHRSA-N 2 1 289.448 3.556 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCc2sccc21 ZINC000268905967 1127027909 /nfs/dbraw/zinc/02/79/09/1127027909.db2.gz NEOZIXBNNVMBRR-SWLSCSKDSA-N 2 1 289.448 3.556 20 0 CHADMP CC[C@H](C)C[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236566282 1130976549 /nfs/dbraw/zinc/97/65/49/1130976549.db2.gz VXXSCHVXDFIPGY-ZOBUZTSGSA-N 2 1 266.473 3.937 20 0 CHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc4occc4c3)C2)CC1 ZINC000349184399 1127142697 /nfs/dbraw/zinc/14/26/97/1127142697.db2.gz IJANATIZDIJSPD-SFHVURJKSA-N 2 1 298.430 3.597 20 0 CHADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000349244504 1127144262 /nfs/dbraw/zinc/14/42/62/1127144262.db2.gz DNXOYBFZIZIAGR-ANQUJSFKSA-N 2 1 272.436 3.616 20 0 CHADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000349244504 1127144264 /nfs/dbraw/zinc/14/42/64/1127144264.db2.gz DNXOYBFZIZIAGR-ANQUJSFKSA-N 2 1 272.436 3.616 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1C(C)=CCC[C@@H]1C ZINC000349406069 1127149838 /nfs/dbraw/zinc/14/98/38/1127149838.db2.gz JSDMGIPQFCYOSK-DOTOQJQBSA-N 2 1 275.440 3.506 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1C(C)=CCC[C@@H]1C ZINC000349406069 1127149839 /nfs/dbraw/zinc/14/98/39/1127149839.db2.gz JSDMGIPQFCYOSK-DOTOQJQBSA-N 2 1 275.440 3.506 20 0 CHADMP CC[C@H](C[N@H+](C)CCCn1cc[nH+]c1C)c1ccccc1 ZINC000349418583 1127150227 /nfs/dbraw/zinc/15/02/27/1127150227.db2.gz OGHABGJNJNGKNH-QGZVFWFLSA-N 2 1 285.435 3.707 20 0 CHADMP CC[C@H](C[N@@H+](C)CCCn1cc[nH+]c1C)c1ccccc1 ZINC000349418583 1127150232 /nfs/dbraw/zinc/15/02/32/1127150232.db2.gz OGHABGJNJNGKNH-QGZVFWFLSA-N 2 1 285.435 3.707 20 0 CHADMP c1ccc([C@@H]2CCC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168379761 1127164830 /nfs/dbraw/zinc/16/48/30/1127164830.db2.gz PBCRXIQSUYGBJW-LJQANCHMSA-N 2 1 298.474 3.740 20 0 CHADMP CC[NH+](CC)CCC[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000351354861 1127188031 /nfs/dbraw/zinc/18/80/31/1127188031.db2.gz WFQVUMYEJHRLAD-UHFFFAOYSA-N 2 1 278.415 3.522 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000351354861 1127188032 /nfs/dbraw/zinc/18/80/32/1127188032.db2.gz WFQVUMYEJHRLAD-UHFFFAOYSA-N 2 1 278.415 3.522 20 0 CHADMP c1ccc(C[N@@H+](C2CC2)C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168387276 1127212702 /nfs/dbraw/zinc/21/27/02/1127212702.db2.gz BGSUOASWRLHVMJ-UHFFFAOYSA-N 2 1 284.447 3.525 20 0 CHADMP CCc1oc2ccccc2c1CN1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000352932465 1127252301 /nfs/dbraw/zinc/25/23/01/1127252301.db2.gz PWWCSUZLTDKDGO-RHSMWYFYSA-N 2 1 298.430 3.521 20 0 CHADMP CCc1oc2ccccc2c1CN1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000352932465 1127252303 /nfs/dbraw/zinc/25/23/03/1127252303.db2.gz PWWCSUZLTDKDGO-RHSMWYFYSA-N 2 1 298.430 3.521 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc2occc2c1 ZINC000286525018 1127268412 /nfs/dbraw/zinc/26/84/12/1127268412.db2.gz NIUGOOFFFSINRZ-UHFFFAOYSA-N 2 1 283.375 3.508 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000573485789 1127316047 /nfs/dbraw/zinc/31/60/47/1127316047.db2.gz XHAMMTZDHWHSIG-HZPDHXFCSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccnc(Cl)c1 ZINC000760896756 1127324464 /nfs/dbraw/zinc/32/44/64/1127324464.db2.gz JDXBOLCMIFYPCD-CYBMUJFWSA-N 2 1 295.858 3.508 20 0 CHADMP CC(C)c1cccc2c1CC[N@H+](CC[C@@H]1CCC[NH+]1C)C2 ZINC000355386955 1127337656 /nfs/dbraw/zinc/33/76/56/1127337656.db2.gz WYIXNTCCBJXRAB-KRWDZBQOSA-N 2 1 286.463 3.652 20 0 CHADMP CC(C)c1cccc2c1CC[N@@H+](CC[C@@H]1CCC[NH+]1C)C2 ZINC000355386955 1127337660 /nfs/dbraw/zinc/33/76/60/1127337660.db2.gz WYIXNTCCBJXRAB-KRWDZBQOSA-N 2 1 286.463 3.652 20 0 CHADMP CC(C)c1cccc2c1CC[NH+](CC[C@@H]1CCC[N@@H+]1C)C2 ZINC000355386955 1127337665 /nfs/dbraw/zinc/33/76/65/1127337665.db2.gz WYIXNTCCBJXRAB-KRWDZBQOSA-N 2 1 286.463 3.652 20 0 CHADMP CC(C)c1cccc2c1CC[NH+](CC[C@@H]1CCC[N@H+]1C)C2 ZINC000355386955 1127337670 /nfs/dbraw/zinc/33/76/70/1127337670.db2.gz WYIXNTCCBJXRAB-KRWDZBQOSA-N 2 1 286.463 3.652 20 0 CHADMP CC[N@@H+](CCC[NH2+][C@H]1CC[C@@H]1SC)C1CCCCC1 ZINC000593660889 1127394419 /nfs/dbraw/zinc/39/44/19/1127394419.db2.gz PJHYFHQVPXTMOJ-HOTGVXAUSA-N 2 1 284.513 3.515 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(C)cc1Cl ZINC000574457580 1127408425 /nfs/dbraw/zinc/40/84/25/1127408425.db2.gz YGKXJGFNUNEYHQ-UHFFFAOYSA-N 2 1 291.826 3.675 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(C)cc1Cl ZINC000574457580 1127408430 /nfs/dbraw/zinc/40/84/30/1127408430.db2.gz YGKXJGFNUNEYHQ-UHFFFAOYSA-N 2 1 291.826 3.675 20 0 CHADMP Cc1ccc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)nc1 ZINC000359136205 1127451271 /nfs/dbraw/zinc/45/12/71/1127451271.db2.gz GIOVUFWFNTZHPB-UHFFFAOYSA-N 2 1 289.467 3.524 20 0 CHADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000168611126 1127457578 /nfs/dbraw/zinc/45/75/78/1127457578.db2.gz NWUFYYPBBMAAFM-HNAYVOBHSA-N 2 1 280.415 3.523 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(F)F)cc2)C[C@@H]1C ZINC000359615227 1127470009 /nfs/dbraw/zinc/47/00/09/1127470009.db2.gz WZFMENWIAITILV-XJKSGUPXSA-N 2 1 296.405 3.929 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(F)F)cc2)C[C@@H]1C ZINC000359615227 1127470010 /nfs/dbraw/zinc/47/00/10/1127470010.db2.gz WZFMENWIAITILV-XJKSGUPXSA-N 2 1 296.405 3.929 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(F)F)cc2)C[C@@H]1C ZINC000359615227 1127470013 /nfs/dbraw/zinc/47/00/13/1127470013.db2.gz WZFMENWIAITILV-XJKSGUPXSA-N 2 1 296.405 3.929 20 0 CHADMP CC1(C)Cc2occc2[C@@H]([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000359619589 1127470148 /nfs/dbraw/zinc/47/01/48/1127470148.db2.gz KIQDPIHVRCNAFN-INIZCTEOSA-N 2 1 290.451 3.759 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000359633983 1127471017 /nfs/dbraw/zinc/47/10/17/1127471017.db2.gz LZZQHWPPYFFBAL-HNNXBMFYSA-N 2 1 278.440 3.613 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000359633983 1127471018 /nfs/dbraw/zinc/47/10/18/1127471018.db2.gz LZZQHWPPYFFBAL-HNNXBMFYSA-N 2 1 278.440 3.613 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1ccc(F)cc1F ZINC000360433835 1127498784 /nfs/dbraw/zinc/49/87/84/1127498784.db2.gz OUQZVPHTUSVWBG-CXAGYDPISA-N 2 1 296.405 3.737 20 0 CHADMP C[C@@H](C[NH2+][C@H]1CC(C)(C)Cc2occc21)C[NH+]1CCCC1 ZINC000360430888 1127499003 /nfs/dbraw/zinc/49/90/03/1127499003.db2.gz ZMVKJMXSRDTAKV-HOCLYGCPSA-N 2 1 290.451 3.615 20 0 CHADMP c1cc(CCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cs1 ZINC000360975117 1127525194 /nfs/dbraw/zinc/52/51/94/1127525194.db2.gz NBYOSCACDIZLLC-QGZVFWFLSA-N 2 1 292.492 3.631 20 0 CHADMP Cc1nc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cs1 ZINC000361078691 1127536322 /nfs/dbraw/zinc/53/63/22/1127536322.db2.gz ISUATDWPOSJPPX-KBPBESRZSA-N 2 1 295.496 3.757 20 0 CHADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)CC1CCCC1 ZINC000361707603 1127583591 /nfs/dbraw/zinc/58/35/91/1127583591.db2.gz WIANZTODJWRRFS-UHFFFAOYSA-N 2 1 283.419 3.803 20 0 CHADMP CC[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cc(F)ccc1F ZINC000361972236 1127603749 /nfs/dbraw/zinc/60/37/49/1127603749.db2.gz PTIXJIHMSSDGTD-ZQIUZPCESA-N 2 1 296.405 3.878 20 0 CHADMP CC[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1F ZINC000361972072 1127603826 /nfs/dbraw/zinc/60/38/26/1127603826.db2.gz OZKDZHJBFNPUBM-ZQIUZPCESA-N 2 1 296.405 3.878 20 0 CHADMP CCC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000294970924 1127611844 /nfs/dbraw/zinc/61/18/44/1127611844.db2.gz JBJIDTSMRUIJKM-QBUWPKIASA-N 2 1 286.463 3.785 20 0 CHADMP CC(C)c1cccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000659949829 1127688469 /nfs/dbraw/zinc/68/84/69/1127688469.db2.gz WVCRMVPJPVNAGZ-KRWDZBQOSA-N 2 1 274.452 3.584 20 0 CHADMP CC(C)c1cccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000659949829 1127688471 /nfs/dbraw/zinc/68/84/71/1127688471.db2.gz WVCRMVPJPVNAGZ-KRWDZBQOSA-N 2 1 274.452 3.584 20 0 CHADMP CC(C)c1cccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000659949829 1127688472 /nfs/dbraw/zinc/68/84/72/1127688472.db2.gz WVCRMVPJPVNAGZ-KRWDZBQOSA-N 2 1 274.452 3.584 20 0 CHADMP CC(C)c1cccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000659949830 1127688795 /nfs/dbraw/zinc/68/87/95/1127688795.db2.gz WVCRMVPJPVNAGZ-QGZVFWFLSA-N 2 1 274.452 3.584 20 0 CHADMP CC(C)c1cccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000659949830 1127688796 /nfs/dbraw/zinc/68/87/96/1127688796.db2.gz WVCRMVPJPVNAGZ-QGZVFWFLSA-N 2 1 274.452 3.584 20 0 CHADMP CC(C)c1cccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000659949830 1127688800 /nfs/dbraw/zinc/68/88/00/1127688800.db2.gz WVCRMVPJPVNAGZ-QGZVFWFLSA-N 2 1 274.452 3.584 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cs1 ZINC000297928858 1127712202 /nfs/dbraw/zinc/71/22/02/1127712202.db2.gz XLTTVPNZZLNQDA-YPMHNXCESA-N 2 1 277.437 3.548 20 0 CHADMP C[N@@H+](CC1CC[NH2+]CC1)C1CCC(C(C)(C)C)CC1 ZINC000094010593 1127723490 /nfs/dbraw/zinc/72/34/90/1127723490.db2.gz YHYKGPHLKXMDQH-UHFFFAOYSA-N 2 1 266.473 3.523 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000298703487 1127729796 /nfs/dbraw/zinc/72/97/96/1127729796.db2.gz PTHAZBGRXQBHQH-UHFFFAOYSA-N 2 1 295.386 3.631 20 0 CHADMP C[C@H](c1ccccc1F)[N@@H+](C)CCCCCCC[NH3+] ZINC000062019071 1127730882 /nfs/dbraw/zinc/73/08/82/1127730882.db2.gz QHBREQSQGWICEP-CQSZACIVSA-N 2 1 266.404 3.728 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@@H+](C)CCCCCC[NH3+] ZINC000062018698 1127730893 /nfs/dbraw/zinc/73/08/93/1127730893.db2.gz UOQJOIGJURPPAD-CYBMUJFWSA-N 2 1 268.832 3.852 20 0 CHADMP CC(C[NH+](C)[C@@H](C)C(C)C)C[N@H+](C)[C@@H](C)C(C)C ZINC000605573491 1127743194 /nfs/dbraw/zinc/74/31/94/1127743194.db2.gz XBHCDFOYXCCHFC-HOTGVXAUSA-N 2 1 256.478 3.575 20 0 CHADMP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000366261721 1127744046 /nfs/dbraw/zinc/74/40/46/1127744046.db2.gz WKQAGAMFEQTAEZ-UHOSZYNNSA-N 2 1 286.463 3.533 20 0 CHADMP CC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000366430644 1127745901 /nfs/dbraw/zinc/74/59/01/1127745901.db2.gz JFDOXGVKGXUYSO-ABHNRTSZSA-N 2 1 272.436 3.744 20 0 CHADMP CC(C)SCC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000409446590 1127768329 /nfs/dbraw/zinc/76/83/29/1127768329.db2.gz SWLOVWRHJVWBRA-KRWDZBQOSA-N 2 1 298.540 3.572 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CC2 ZINC000373525334 1127849685 /nfs/dbraw/zinc/84/96/85/1127849685.db2.gz ZGNWOZXJNPDNNG-FAFZWHIHSA-N 2 1 284.447 3.589 20 0 CHADMP C[C@H](c1cccc(F)c1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374158417 1127877065 /nfs/dbraw/zinc/87/70/65/1127877065.db2.gz HICXAYSIZSGNFO-OAHLLOKOSA-N 2 1 290.426 3.695 20 0 CHADMP C[C@@H](C1CC1)[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000535466798 1127917281 /nfs/dbraw/zinc/91/72/81/1127917281.db2.gz YWDVCHMQDBWFSG-QFBILLFUSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H](C1CC1)[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000535466798 1127917283 /nfs/dbraw/zinc/91/72/83/1127917283.db2.gz YWDVCHMQDBWFSG-QFBILLFUSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H](C1CC1)[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000535466798 1127917285 /nfs/dbraw/zinc/91/72/85/1127917285.db2.gz YWDVCHMQDBWFSG-QFBILLFUSA-N 2 1 286.463 3.771 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)CCc2ccccc2)C1 ZINC000539405104 1127921501 /nfs/dbraw/zinc/92/15/01/1127921501.db2.gz NAVCOJMDDVHJBN-HKUYNNGSSA-N 2 1 288.479 3.529 20 0 CHADMP CCC[C@@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000539409044 1127922711 /nfs/dbraw/zinc/92/27/11/1127922711.db2.gz WLLGNAZUCQFCFV-MJGOQNOKSA-N 2 1 288.479 3.844 20 0 CHADMP CCC[C@@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000539409044 1127922713 /nfs/dbraw/zinc/92/27/13/1127922713.db2.gz WLLGNAZUCQFCFV-MJGOQNOKSA-N 2 1 288.479 3.844 20 0 CHADMP CCC[C@@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000539409044 1127922714 /nfs/dbraw/zinc/92/27/14/1127922714.db2.gz WLLGNAZUCQFCFV-MJGOQNOKSA-N 2 1 288.479 3.844 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC000508859907 1127939434 /nfs/dbraw/zinc/93/94/34/1127939434.db2.gz MQEZOKJPSBMTIK-QGZVFWFLSA-N 2 1 286.463 3.728 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C3CCC3)cc2)C1 ZINC000508859903 1127947265 /nfs/dbraw/zinc/94/72/65/1127947265.db2.gz MQEZOKJPSBMTIK-KRWDZBQOSA-N 2 1 286.463 3.728 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC000508859903 1127947267 /nfs/dbraw/zinc/94/72/67/1127947267.db2.gz MQEZOKJPSBMTIK-KRWDZBQOSA-N 2 1 286.463 3.728 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC000508859903 1127947269 /nfs/dbraw/zinc/94/72/69/1127947269.db2.gz MQEZOKJPSBMTIK-KRWDZBQOSA-N 2 1 286.463 3.728 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](C)C[C@H]2CC)C1 ZINC000539857714 1127948222 /nfs/dbraw/zinc/94/82/22/1127948222.db2.gz BNBSQLUDRLYHKG-YLFCFFPRSA-N 2 1 266.473 3.523 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000669846966 1127948901 /nfs/dbraw/zinc/94/89/01/1127948901.db2.gz RBCJNKZPWHHSBH-VNTMZGSJSA-N 2 1 298.474 3.677 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000669846967 1127949136 /nfs/dbraw/zinc/94/91/36/1127949136.db2.gz RBCJNKZPWHHSBH-WCIQWLHISA-N 2 1 298.474 3.677 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CC(CC)(CC)CC)[C@H](C)C1 ZINC000540163438 1127966625 /nfs/dbraw/zinc/96/66/25/1127966625.db2.gz LQGBWGJYNPUFAC-HUUCEWRRSA-N 2 1 254.462 3.523 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000540141932 1127962831 /nfs/dbraw/zinc/96/28/31/1127962831.db2.gz LFBUVDTZGUGQHJ-XYJFISCASA-N 2 1 286.463 3.675 20 0 CHADMP Cc1cc(C)cc([C@@H]2CC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000544191487 1127963287 /nfs/dbraw/zinc/96/32/87/1127963287.db2.gz NWFROLCYHIJFRC-IEBWSBKVSA-N 2 1 286.463 3.577 20 0 CHADMP Cc1cc(C)cc([C@@H]2CC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)c1 ZINC000544191487 1127963289 /nfs/dbraw/zinc/96/32/89/1127963289.db2.gz NWFROLCYHIJFRC-IEBWSBKVSA-N 2 1 286.463 3.577 20 0 CHADMP Cc1cc(C)cc([C@@H]2CC[N@H+](CC[C@H]3CCC[NH+]3C)C2)c1 ZINC000544191487 1127963291 /nfs/dbraw/zinc/96/32/91/1127963291.db2.gz NWFROLCYHIJFRC-IEBWSBKVSA-N 2 1 286.463 3.577 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC000540148172 1127964238 /nfs/dbraw/zinc/96/42/38/1127964238.db2.gz HWUFZWKYIOIJOM-HOTGVXAUSA-N 2 1 292.442 3.844 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CC1(C)C ZINC000540176278 1127966088 /nfs/dbraw/zinc/96/60/88/1127966088.db2.gz QOVBZVVDOSNHME-BPQIPLTHSA-N 2 1 286.463 3.533 20 0 CHADMP CC[C@H](C[N@@H+](C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000467516037 1127972453 /nfs/dbraw/zinc/97/24/53/1127972453.db2.gz DRVOHECIYHPADB-QGZVFWFLSA-N 2 1 274.452 3.598 20 0 CHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)CC1CCCCC1 ZINC000544609985 1127978410 /nfs/dbraw/zinc/97/84/10/1127978410.db2.gz IDFJIAMSOOCAEJ-ZOBUZTSGSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2cccc3nccn32)[C@@H]2CCCC[C@@H]12 ZINC000540507848 1127981738 /nfs/dbraw/zinc/98/17/38/1127981738.db2.gz PXRMFPNCHVUZSR-HYVNUMGLSA-N 2 1 283.419 3.735 20 0 CHADMP C[C@@H]1CCN(Cc2cccc3nccn32)[C@@H]2CCCC[C@@H]12 ZINC000540507848 1127981741 /nfs/dbraw/zinc/98/17/41/1127981741.db2.gz PXRMFPNCHVUZSR-HYVNUMGLSA-N 2 1 283.419 3.735 20 0 CHADMP C[C@H](C[NH2+]C[C@H]1C[C@H]1c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000540549681 1127984635 /nfs/dbraw/zinc/98/46/35/1127984635.db2.gz SQULWCAXMHQSCR-RWQQGDIJSA-N 2 1 286.463 3.643 20 0 CHADMP C[C@H](C[NH2+]C[C@H]1C[C@H]1c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000540549681 1127984640 /nfs/dbraw/zinc/98/46/40/1127984640.db2.gz SQULWCAXMHQSCR-RWQQGDIJSA-N 2 1 286.463 3.643 20 0 CHADMP Cc1ccc([C@@H]([NH2+]CCC[N@@H+](C)C(C)C)C2CCC2)o1 ZINC000541746436 1128035503 /nfs/dbraw/zinc/03/55/03/1128035503.db2.gz JPLMZFAHYCISEY-KRWDZBQOSA-N 2 1 278.440 3.749 20 0 CHADMP Cc1ccc([C@@H]([NH2+]CCC[N@H+](C)C(C)C)C2CCC2)o1 ZINC000541746436 1128035506 /nfs/dbraw/zinc/03/55/06/1128035506.db2.gz JPLMZFAHYCISEY-KRWDZBQOSA-N 2 1 278.440 3.749 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CCCCC2CCCC2)[C@H](C)C1 ZINC000469281079 1128039520 /nfs/dbraw/zinc/03/95/20/1128039520.db2.gz QGDZSUQDPHPUBU-WBVHZDCISA-N 2 1 266.473 3.667 20 0 CHADMP CCc1cccc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000469732137 1128051981 /nfs/dbraw/zinc/05/19/81/1128051981.db2.gz YXZBZIQSXMPMEM-CRAIPNDOSA-N 2 1 274.452 3.554 20 0 CHADMP CCc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)c1 ZINC000469732137 1128051984 /nfs/dbraw/zinc/05/19/84/1128051984.db2.gz YXZBZIQSXMPMEM-CRAIPNDOSA-N 2 1 274.452 3.554 20 0 CHADMP CCc1cccc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)c1 ZINC000469732137 1128051988 /nfs/dbraw/zinc/05/19/88/1128051988.db2.gz YXZBZIQSXMPMEM-CRAIPNDOSA-N 2 1 274.452 3.554 20 0 CHADMP CCS[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000469777468 1128053671 /nfs/dbraw/zinc/05/36/71/1128053671.db2.gz XJIWBQHOSDICDQ-ARFHVFGLSA-N 2 1 284.513 3.515 20 0 CHADMP CC(C)([NH3+])C[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000469874224 1128056426 /nfs/dbraw/zinc/05/64/26/1128056426.db2.gz WMOIMKYTRYTFPY-QGZVFWFLSA-N 2 1 268.404 3.714 20 0 CHADMP C[N@H+](Cc1ccccc1-c1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000469874481 1128057150 /nfs/dbraw/zinc/05/71/50/1128057150.db2.gz IEQCFFDEBSSECW-KRWDZBQOSA-N 2 1 294.442 3.785 20 0 CHADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCc2ccc(C(C)C)cc2)C1 ZINC000469968953 1128059734 /nfs/dbraw/zinc/05/97/34/1128059734.db2.gz HQHPNIRBIOGTDP-GOSISDBHSA-N 2 1 288.479 3.626 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@H+](CCc2ccc(C(C)C)cc2)C1 ZINC000469968953 1128059738 /nfs/dbraw/zinc/05/97/38/1128059738.db2.gz HQHPNIRBIOGTDP-GOSISDBHSA-N 2 1 288.479 3.626 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCc2ccc(C(C)C)cc2)C1 ZINC000469968953 1128059742 /nfs/dbraw/zinc/05/97/42/1128059742.db2.gz HQHPNIRBIOGTDP-GOSISDBHSA-N 2 1 288.479 3.626 20 0 CHADMP C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470959820 1128083650 /nfs/dbraw/zinc/08/36/50/1128083650.db2.gz PMCPFIQGCMVPJH-HOCLYGCPSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@@H](c1cccc(F)c1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470959820 1128083654 /nfs/dbraw/zinc/08/36/54/1128083654.db2.gz PMCPFIQGCMVPJH-HOCLYGCPSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@@H](c1cccc(F)c1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470959820 1128083659 /nfs/dbraw/zinc/08/36/59/1128083659.db2.gz PMCPFIQGCMVPJH-HOCLYGCPSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@@H](c1cccc(F)c1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470959820 1128083665 /nfs/dbraw/zinc/08/36/65/1128083665.db2.gz PMCPFIQGCMVPJH-HOCLYGCPSA-N 2 1 290.426 3.550 20 0 CHADMP CCC[C@@H](CC)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001257245095 1128078566 /nfs/dbraw/zinc/07/85/66/1128078566.db2.gz JTWHGVDOEAAOHG-OWCLPIDISA-N 2 1 254.462 3.523 20 0 CHADMP CCC[C@@H](CC)[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001257255939 1128099782 /nfs/dbraw/zinc/09/97/82/1128099782.db2.gz CAUKBXVBHPOIIQ-QGZVFWFLSA-N 2 1 278.484 3.906 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1coc2ccccc12 ZINC000924715844 1128110604 /nfs/dbraw/zinc/11/06/04/1128110604.db2.gz QAPXCFWODBUICX-ZDUSSCGKSA-N 2 1 283.375 3.679 20 0 CHADMP CCC[C@@H](CC)[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001257260699 1128113003 /nfs/dbraw/zinc/11/30/03/1128113003.db2.gz RNWPTRJSSLQPPE-OAHLLOKOSA-N 2 1 275.440 3.508 20 0 CHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000261992703 1128122368 /nfs/dbraw/zinc/12/23/68/1128122368.db2.gz MRNHSZIKCMPQIX-BFYDXBDKSA-N 2 1 290.451 3.613 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000261992703 1128122370 /nfs/dbraw/zinc/12/23/70/1128122370.db2.gz MRNHSZIKCMPQIX-BFYDXBDKSA-N 2 1 290.451 3.613 20 0 CHADMP CCC[C@@H](CC)[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001257265393 1128124571 /nfs/dbraw/zinc/12/45/71/1128124571.db2.gz DKUKURJLVAMKOM-IXDOHACOSA-N 2 1 266.473 3.904 20 0 CHADMP CCC[C@@H](CC)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001257265393 1128124572 /nfs/dbraw/zinc/12/45/72/1128124572.db2.gz DKUKURJLVAMKOM-IXDOHACOSA-N 2 1 266.473 3.904 20 0 CHADMP CCC[C@@H](CC)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001257265393 1128124574 /nfs/dbraw/zinc/12/45/74/1128124574.db2.gz DKUKURJLVAMKOM-IXDOHACOSA-N 2 1 266.473 3.904 20 0 CHADMP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1cc(Cl)sc1Cl ZINC000925740450 1128139519 /nfs/dbraw/zinc/13/95/19/1128139519.db2.gz HSWILAVLQGSOBE-SSDOTTSWSA-N 2 1 281.252 3.833 20 0 CHADMP c1ccc([C@H]2C[C@H]([NH2+]CC[C@@H]3C[C@H]3C3CC3)CC[NH2+]2)cc1 ZINC000925802360 1128142676 /nfs/dbraw/zinc/14/26/76/1128142676.db2.gz MQJNSFJCXXONDY-AKHDSKFASA-N 2 1 284.447 3.506 20 0 CHADMP COc1ccc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1C ZINC000925829015 1128143251 /nfs/dbraw/zinc/14/32/51/1128143251.db2.gz LUWNSKBDBTWTJL-KKXDTOCCSA-N 2 1 296.414 3.799 20 0 CHADMP CCC(CC)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001257301071 1128163502 /nfs/dbraw/zinc/16/35/02/1128163502.db2.gz OHZHCCNMBUUGBP-HOTGVXAUSA-N 2 1 252.446 3.514 20 0 CHADMP CCC(CC)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001257301071 1128163503 /nfs/dbraw/zinc/16/35/03/1128163503.db2.gz OHZHCCNMBUUGBP-HOTGVXAUSA-N 2 1 252.446 3.514 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1coc2ccccc12 ZINC000926572183 1128182122 /nfs/dbraw/zinc/18/21/22/1128182122.db2.gz CGFFGKHIVFRKQE-GJZGRUSLSA-N 2 1 286.419 3.815 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1CC1CCCC1 ZINC000653893034 1128191268 /nfs/dbraw/zinc/19/12/68/1128191268.db2.gz RUBVKOPQMWPVEW-QGZVFWFLSA-N 2 1 275.440 3.626 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC000653893034 1128191271 /nfs/dbraw/zinc/19/12/71/1128191271.db2.gz RUBVKOPQMWPVEW-QGZVFWFLSA-N 2 1 275.440 3.626 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1CC1CCCC1 ZINC000653893033 1128191671 /nfs/dbraw/zinc/19/16/71/1128191671.db2.gz RUBVKOPQMWPVEW-KRWDZBQOSA-N 2 1 275.440 3.626 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1CC1CCCC1 ZINC000653893033 1128191672 /nfs/dbraw/zinc/19/16/72/1128191672.db2.gz RUBVKOPQMWPVEW-KRWDZBQOSA-N 2 1 275.440 3.626 20 0 CHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2C[C@@H](C)[C@@H]2C)CC1 ZINC000495074387 1128228467 /nfs/dbraw/zinc/22/84/67/1128228467.db2.gz MFZRRLWDTAZMAH-OLMMMNRUSA-N 2 1 286.463 3.846 20 0 CHADMP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000322270838 1128341647 /nfs/dbraw/zinc/34/16/47/1128341647.db2.gz KHSZFMDBHBFGNN-IBGZPJMESA-N 2 1 286.463 3.819 20 0 CHADMP Cc1ccc(C)c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000037103447 1128413813 /nfs/dbraw/zinc/41/38/13/1128413813.db2.gz KHZXEXSNKYPFTO-XYTVBORESA-N 2 1 272.436 3.579 20 0 CHADMP C[C@H](C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C(C)(C)C ZINC000670266539 1128377978 /nfs/dbraw/zinc/37/79/78/1128377978.db2.gz JZIYBXXIYIRLMJ-HZPDHXFCSA-N 2 1 268.489 3.770 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](C)C(C)(C)C)C1 ZINC000670268130 1128378765 /nfs/dbraw/zinc/37/87/65/1128378765.db2.gz JVPBACHXUOBNJK-HZPDHXFCSA-N 2 1 268.489 3.626 20 0 CHADMP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000036996416 1128404517 /nfs/dbraw/zinc/40/45/17/1128404517.db2.gz FUGUQYHACDBWBM-CGTJXYLNSA-N 2 1 272.436 3.581 20 0 CHADMP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000036996416 1128404518 /nfs/dbraw/zinc/40/45/18/1128404518.db2.gz FUGUQYHACDBWBM-CGTJXYLNSA-N 2 1 272.436 3.581 20 0 CHADMP CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000562778798 1128419932 /nfs/dbraw/zinc/41/99/32/1128419932.db2.gz JZABQJAHJFGSEO-CABCVRRESA-N 2 1 254.462 3.521 20 0 CHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000037229431 1128424361 /nfs/dbraw/zinc/42/43/61/1128424361.db2.gz OQOHELMFHUGXDQ-HNNXBMFYSA-N 2 1 286.419 3.878 20 0 CHADMP CCCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC000037644529 1128433804 /nfs/dbraw/zinc/43/38/04/1128433804.db2.gz SPHLVLSVLSPXGS-WMZOPIPTSA-N 2 1 274.452 3.849 20 0 CHADMP CCCC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC000037644531 1128433886 /nfs/dbraw/zinc/43/38/86/1128433886.db2.gz SPHLVLSVLSPXGS-AEFFLSMTSA-N 2 1 274.452 3.849 20 0 CHADMP Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000037649056 1128434990 /nfs/dbraw/zinc/43/49/90/1128434990.db2.gz SBVZTQXZTQWONN-DLBZAZTESA-N 2 1 286.463 3.747 20 0 CHADMP Cc1cc(C)c(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000123597845 1128439510 /nfs/dbraw/zinc/43/95/10/1128439510.db2.gz GKWSYLULHNPAAP-IAGOWNOFSA-N 2 1 274.452 3.526 20 0 CHADMP Cc1cc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000123597845 1128439513 /nfs/dbraw/zinc/43/95/13/1128439513.db2.gz GKWSYLULHNPAAP-IAGOWNOFSA-N 2 1 274.452 3.526 20 0 CHADMP Cc1cc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(C)c1 ZINC000123597845 1128439515 /nfs/dbraw/zinc/43/95/15/1128439515.db2.gz GKWSYLULHNPAAP-IAGOWNOFSA-N 2 1 274.452 3.526 20 0 CHADMP Cc1cc(C)c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(C)c1 ZINC000123597845 1128439517 /nfs/dbraw/zinc/43/95/17/1128439517.db2.gz GKWSYLULHNPAAP-IAGOWNOFSA-N 2 1 274.452 3.526 20 0 CHADMP CC[NH+]1CCC([N@H+](C)Cc2cc(C)c(C)cc2C)CC1 ZINC000125192993 1128448035 /nfs/dbraw/zinc/44/80/35/1128448035.db2.gz GVQSDRMSECLRJU-UHFFFAOYSA-N 2 1 274.452 3.528 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)Cc2cc(C)c(C)cc2C)CC1 ZINC000125192993 1128448038 /nfs/dbraw/zinc/44/80/38/1128448038.db2.gz GVQSDRMSECLRJU-UHFFFAOYSA-N 2 1 274.452 3.528 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1cccs1 ZINC000125826494 1128454463 /nfs/dbraw/zinc/45/44/63/1128454463.db2.gz RSOBBWQJEPCQFG-HUUCEWRRSA-N 2 1 280.481 3.909 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)o1 ZINC000126001851 1128460452 /nfs/dbraw/zinc/46/04/52/1128460452.db2.gz PLHZDDFPSDELBV-ZFWWWQNUSA-N 2 1 266.429 3.605 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc2ccccc2s1 ZINC000126524813 1128464680 /nfs/dbraw/zinc/46/46/80/1128464680.db2.gz JBYFRTREYTVIAU-ZIAGYGMSSA-N 2 1 288.460 3.894 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc2ccccc2s1 ZINC000126524813 1128464682 /nfs/dbraw/zinc/46/46/82/1128464682.db2.gz JBYFRTREYTVIAU-ZIAGYGMSSA-N 2 1 288.460 3.894 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000126892550 1128469998 /nfs/dbraw/zinc/46/99/98/1128469998.db2.gz YNMZANVAXHNLEL-RHSMWYFYSA-N 2 1 292.492 3.738 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000126892550 1128470000 /nfs/dbraw/zinc/47/00/00/1128470000.db2.gz YNMZANVAXHNLEL-RHSMWYFYSA-N 2 1 292.492 3.738 20 0 CHADMP CC(C)Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000563904459 1128484285 /nfs/dbraw/zinc/48/42/85/1128484285.db2.gz YYZPUCULLKLRSZ-AEFFLSMTSA-N 2 1 288.479 3.878 20 0 CHADMP CC(C)c1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000127977903 1128485144 /nfs/dbraw/zinc/48/51/44/1128485144.db2.gz KGFZNDNJLYSHLX-VKJFTORMSA-N 2 1 274.452 3.801 20 0 CHADMP CC(C)c1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000127977903 1128485146 /nfs/dbraw/zinc/48/51/46/1128485146.db2.gz KGFZNDNJLYSHLX-VKJFTORMSA-N 2 1 274.452 3.801 20 0 CHADMP CCC[N@H+](CCCc1c[nH+]cn1C)Cc1ccc(C)cc1 ZINC000565164992 1128520787 /nfs/dbraw/zinc/52/07/87/1128520787.db2.gz QOVZHVQUTMIARS-UHFFFAOYSA-N 2 1 285.435 3.573 20 0 CHADMP CCC[N@@H+](CCCc1c[nH+]cn1C)Cc1ccc(C)cc1 ZINC000565164992 1128520790 /nfs/dbraw/zinc/52/07/90/1128520790.db2.gz QOVZHVQUTMIARS-UHFFFAOYSA-N 2 1 285.435 3.573 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000566230377 1128540483 /nfs/dbraw/zinc/54/04/83/1128540483.db2.gz KMJCHXRFFNPZHQ-SLFFLAALSA-N 2 1 298.474 3.572 20 0 CHADMP CCC(C)(C)c1ccc(C[N@@H+]2CCC[NH2+][C@@H](C)C2)cc1 ZINC001236094591 1128546102 /nfs/dbraw/zinc/54/61/02/1128546102.db2.gz GHVITYNAUPPFCV-HNNXBMFYSA-N 2 1 274.452 3.558 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CCC[NH2+][C@@H](C)C2)cc1 ZINC001236094591 1128546106 /nfs/dbraw/zinc/54/61/06/1128546106.db2.gz GHVITYNAUPPFCV-HNNXBMFYSA-N 2 1 274.452 3.558 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)C(C)(C)C)CC[N@@H+]1C ZINC000130028778 1128562608 /nfs/dbraw/zinc/56/26/08/1128562608.db2.gz MOCLMHCPXMIUHW-PVAVHDDUSA-N 2 1 274.452 3.846 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)C(C)(C)C)CC[N@H+]1C ZINC000130028778 1128562613 /nfs/dbraw/zinc/56/26/13/1128562613.db2.gz MOCLMHCPXMIUHW-PVAVHDDUSA-N 2 1 274.452 3.846 20 0 CHADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCCCCC2)C1 ZINC000556214863 1128563814 /nfs/dbraw/zinc/56/38/14/1128563814.db2.gz LDGCPHPBMLHFIX-OAHLLOKOSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCCCCC2)C1 ZINC000556214863 1128563816 /nfs/dbraw/zinc/56/38/16/1128563816.db2.gz LDGCPHPBMLHFIX-OAHLLOKOSA-N 2 1 266.473 3.809 20 0 CHADMP CCCc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000567712585 1128570609 /nfs/dbraw/zinc/57/06/09/1128570609.db2.gz DHKXMTQAVPAFJR-IBGZPJMESA-N 2 1 286.463 3.557 20 0 CHADMP CCCc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000567712585 1128570612 /nfs/dbraw/zinc/57/06/12/1128570612.db2.gz DHKXMTQAVPAFJR-IBGZPJMESA-N 2 1 286.463 3.557 20 0 CHADMP CCCc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000567712585 1128570614 /nfs/dbraw/zinc/57/06/14/1128570614.db2.gz DHKXMTQAVPAFJR-IBGZPJMESA-N 2 1 286.463 3.557 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc3c(s2)CCCC3)C1 ZINC000130265190 1128575718 /nfs/dbraw/zinc/57/57/18/1128575718.db2.gz FRSUAOLFQDGFSB-KBPBESRZSA-N 2 1 292.492 3.619 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC(C)=C[C@@H](C)C2)C[C@H]1C ZINC000568455909 1128585026 /nfs/dbraw/zinc/58/50/26/1128585026.db2.gz HRYCKWDYOBBLFT-BGTYHANMSA-N 2 1 278.484 3.783 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC(C)=C[C@@H](C)C2)C[C@H]1C ZINC000568455909 1128585030 /nfs/dbraw/zinc/58/50/30/1128585030.db2.gz HRYCKWDYOBBLFT-BGTYHANMSA-N 2 1 278.484 3.783 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC(C)=C[C@@H](C)C2)C[C@H]1C ZINC000568455909 1128585032 /nfs/dbraw/zinc/58/50/32/1128585032.db2.gz HRYCKWDYOBBLFT-BGTYHANMSA-N 2 1 278.484 3.783 20 0 CHADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1csc2ccccc12 ZINC000569276249 1128602707 /nfs/dbraw/zinc/60/27/07/1128602707.db2.gz NWHCEOYJOFVRPC-BBRMVZONSA-N 2 1 288.460 3.673 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1csc2ccccc12 ZINC000569276249 1128602709 /nfs/dbraw/zinc/60/27/09/1128602709.db2.gz NWHCEOYJOFVRPC-BBRMVZONSA-N 2 1 288.460 3.673 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1csc2ccccc12 ZINC000569276249 1128602711 /nfs/dbraw/zinc/60/27/11/1128602711.db2.gz NWHCEOYJOFVRPC-BBRMVZONSA-N 2 1 288.460 3.673 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1csc2ccccc12 ZINC000569276249 1128602713 /nfs/dbraw/zinc/60/27/13/1128602713.db2.gz NWHCEOYJOFVRPC-BBRMVZONSA-N 2 1 288.460 3.673 20 0 CHADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC1CCC(c2ccccc2)CC1 ZINC000569706871 1128607700 /nfs/dbraw/zinc/60/77/00/1128607700.db2.gz UPIRSMBHBUIMQS-JVGQSUMCSA-N 2 1 286.463 3.772 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc3ccccc32)C1 ZINC000072857771 1128634366 /nfs/dbraw/zinc/63/43/66/1128634366.db2.gz IIKFLZYYPXAWQF-INIZCTEOSA-N 2 1 282.431 3.613 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc3ccccc32)C1 ZINC000072857771 1128634369 /nfs/dbraw/zinc/63/43/69/1128634369.db2.gz IIKFLZYYPXAWQF-INIZCTEOSA-N 2 1 282.431 3.613 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000072857771 1128634373 /nfs/dbraw/zinc/63/43/73/1128634373.db2.gz IIKFLZYYPXAWQF-INIZCTEOSA-N 2 1 282.431 3.613 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)(c2ccccc2)CC1 ZINC000131805394 1128638419 /nfs/dbraw/zinc/63/84/19/1128638419.db2.gz BEFHSDONNOZDSS-GOSISDBHSA-N 2 1 286.463 3.524 20 0 CHADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CCCC2CCCCC2)C1 ZINC000571925485 1128640069 /nfs/dbraw/zinc/64/00/69/1128640069.db2.gz NUTDHVMPOXHWIX-QZTJIDSGSA-N 2 1 278.484 3.763 20 0 CHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CCCC2CCCCC2)C1 ZINC000571925485 1128640071 /nfs/dbraw/zinc/64/00/71/1128640071.db2.gz NUTDHVMPOXHWIX-QZTJIDSGSA-N 2 1 278.484 3.763 20 0 CHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CCCC2CCCCC2)C1 ZINC000571925485 1128640073 /nfs/dbraw/zinc/64/00/73/1128640073.db2.gz NUTDHVMPOXHWIX-QZTJIDSGSA-N 2 1 278.484 3.763 20 0 CHADMP CSc1ccccc1C[C@@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000577786982 1128689623 /nfs/dbraw/zinc/68/96/23/1128689623.db2.gz WBQFHDBWJWCUML-CABCVRRESA-N 2 1 294.508 3.658 20 0 CHADMP CSc1ccccc1C[C@@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000577786982 1128689625 /nfs/dbraw/zinc/68/96/25/1128689625.db2.gz WBQFHDBWJWCUML-CABCVRRESA-N 2 1 294.508 3.658 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](C)C[C@H](C)CC(C)C)CC1 ZINC001258050573 1128692674 /nfs/dbraw/zinc/69/26/74/1128692674.db2.gz DTALDWVIPGIGTI-HUUCEWRRSA-N 2 1 254.462 3.521 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@H](C)CC2CCCCC2)C1 ZINC000578401319 1128717086 /nfs/dbraw/zinc/71/70/86/1128717086.db2.gz GHWWMBRYIOEQRG-SJLPKXTDSA-N 2 1 280.500 3.913 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cc2ccccc2o1 ZINC000643545737 1117791521 /nfs/dbraw/zinc/79/15/21/1117791521.db2.gz BJGYJYFKNRWVMC-HIFRSBDPSA-N 2 1 284.403 3.758 20 0 CHADMP CCCC[C@@H](CC)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623336784 1117833911 /nfs/dbraw/zinc/83/39/11/1117833911.db2.gz DYAKWZYVTLYHSD-HUUCEWRRSA-N 2 1 254.462 3.665 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623358253 1117840964 /nfs/dbraw/zinc/84/09/64/1117840964.db2.gz VOMBMNOMIAPPKK-LMSBXDPUSA-N 2 1 278.484 3.523 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)[C@@H]1C[C@H]1C1CC1 ZINC000623358058 1117841392 /nfs/dbraw/zinc/84/13/92/1117841392.db2.gz MPLZJICUJIHWTP-LAQRGFTBSA-N 2 1 278.484 3.665 20 0 CHADMP Cc1ccc([C@@H](C)C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623426272 1117853907 /nfs/dbraw/zinc/85/39/07/1117853907.db2.gz HOHYYWSPEXSMRX-RDJZCZTQSA-N 2 1 274.452 3.561 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1F ZINC000623444642 1117856782 /nfs/dbraw/zinc/85/67/82/1117856782.db2.gz NAFOPGNMBFMSSW-UKRRQHHQSA-N 2 1 278.415 3.658 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1F ZINC000623444642 1117856791 /nfs/dbraw/zinc/85/67/91/1117856791.db2.gz NAFOPGNMBFMSSW-UKRRQHHQSA-N 2 1 278.415 3.658 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001236364709 1128738995 /nfs/dbraw/zinc/73/89/95/1128738995.db2.gz ZDOPQDKAJZRVFF-MELADBBJSA-N 2 1 292.389 3.580 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CCC2=CCCCCC2)CC1(C)C ZINC000623494238 1117861710 /nfs/dbraw/zinc/86/17/10/1117861710.db2.gz IMQNNUUTNHDVQQ-INIZCTEOSA-N 2 1 264.457 3.729 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)CC1(C)C ZINC000623506231 1117865275 /nfs/dbraw/zinc/86/52/75/1117865275.db2.gz IFTKRJDQZLRDHY-KRWDZBQOSA-N 2 1 272.436 3.526 20 0 CHADMP C[C@H]([NH2+]CCc1cccs1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185709717 1117875450 /nfs/dbraw/zinc/87/54/50/1117875450.db2.gz XVMZOVWWSSPCPM-GJZGRUSLSA-N 2 1 292.492 3.533 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2F)CC[N@@H+]1Cc1ccccc1 ZINC000339583899 1117890232 /nfs/dbraw/zinc/89/02/32/1117890232.db2.gz KLGDKVHTIXYVPM-NRSFXHEJSA-N 2 1 290.426 3.520 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2F)CC[N@H+]1Cc1ccccc1 ZINC000339583899 1117890239 /nfs/dbraw/zinc/89/02/39/1117890239.db2.gz KLGDKVHTIXYVPM-NRSFXHEJSA-N 2 1 290.426 3.520 20 0 CHADMP c1c2ccccc2oc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000178540830 1117892578 /nfs/dbraw/zinc/89/25/78/1117892578.db2.gz SMGFRQSPYMMCOQ-INIZCTEOSA-N 2 1 298.430 3.741 20 0 CHADMP c1c2ccccc2oc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000178540830 1117892588 /nfs/dbraw/zinc/89/25/88/1117892588.db2.gz SMGFRQSPYMMCOQ-INIZCTEOSA-N 2 1 298.430 3.741 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CCc1ccc(C)cc1 ZINC000178695574 1117894801 /nfs/dbraw/zinc/89/48/01/1117894801.db2.gz LYROXRBOSRNPIU-SJORKVTESA-N 2 1 299.462 3.747 20 0 CHADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000349422432 1117897832 /nfs/dbraw/zinc/89/78/32/1117897832.db2.gz JHAULRNOIWCYIY-SFHVURJKSA-N 2 1 284.447 3.532 20 0 CHADMP CC(C)[NH+](CCC[NH2+][C@H](C)c1ccc(Cl)nc1)C(C)C ZINC000179135066 1117934666 /nfs/dbraw/zinc/93/46/66/1117934666.db2.gz OFQKWZIIRNRZIH-CQSZACIVSA-N 2 1 297.874 3.895 20 0 CHADMP CC[C@@H](CCc1ccccc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000623999572 1117968080 /nfs/dbraw/zinc/96/80/80/1117968080.db2.gz VEFFVVYMTWIPNL-OALUTQOASA-N 2 1 288.479 3.719 20 0 CHADMP CCCn1ccnc1CCC[N@@H+](C)C[C@@H]1CCCC[C@H]1C ZINC000579407551 1128747373 /nfs/dbraw/zinc/74/73/73/1128747373.db2.gz GMKXXFXKJALLHO-SJORKVTESA-N 2 1 291.483 3.984 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1CCCC[C@H]1C ZINC000579407551 1128747374 /nfs/dbraw/zinc/74/73/74/1128747374.db2.gz GMKXXFXKJALLHO-SJORKVTESA-N 2 1 291.483 3.984 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1CCCC[C@H]1C ZINC000579407551 1128747376 /nfs/dbraw/zinc/74/73/76/1128747376.db2.gz GMKXXFXKJALLHO-SJORKVTESA-N 2 1 291.483 3.984 20 0 CHADMP C[C@H](NCCC[N@H+]1CCCC[C@H]1C)c1ccc(Cl)cn1 ZINC000274974833 1117978573 /nfs/dbraw/zinc/97/85/73/1117978573.db2.gz YLYDZWWJOZTRHD-KGLIPLIRSA-N 2 1 295.858 3.650 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(C)s1 ZINC000624119890 1117983366 /nfs/dbraw/zinc/98/33/66/1117983366.db2.gz LTVISMFLZXQBLL-UKRRQHHQSA-N 2 1 280.481 3.747 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)s1 ZINC000624120110 1117984457 /nfs/dbraw/zinc/98/44/57/1117984457.db2.gz RLJGOPDYQWZVFV-NWDGAFQWSA-N 2 1 286.872 3.784 20 0 CHADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121138 1117985058 /nfs/dbraw/zinc/98/50/58/1117985058.db2.gz OVKADCYYKVNVOZ-MOPGFXCFSA-N 2 1 288.479 3.638 20 0 CHADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCc3cc(F)ccc32)C1 ZINC000624122276 1117986094 /nfs/dbraw/zinc/98/60/94/1117986094.db2.gz NPWGTFIRPJKSTN-KBXCAEBGSA-N 2 1 290.426 3.525 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C1CCC(F)(F)CC1 ZINC000624123194 1117987411 /nfs/dbraw/zinc/98/74/11/1117987411.db2.gz HRHIOWWRYNSXON-ZIAGYGMSSA-N 2 1 288.426 3.522 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000315166422 1117988280 /nfs/dbraw/zinc/98/82/80/1117988280.db2.gz XONSDTRZFABJLK-ROUUACIJSA-N 2 1 283.419 3.508 20 0 CHADMP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccccc1OC ZINC000037413582 1118011426 /nfs/dbraw/zinc/01/14/26/1118011426.db2.gz WOKAJAUDQFVSJT-QGZVFWFLSA-N 2 1 290.451 3.609 20 0 CHADMP CSc1cccc(Cl)c1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206812545 1118018943 /nfs/dbraw/zinc/01/89/43/1118018943.db2.gz ZJQQXMIDXWCSQQ-NWDGAFQWSA-N 2 1 298.883 3.621 20 0 CHADMP CSc1cccc(Cl)c1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206812545 1118018949 /nfs/dbraw/zinc/01/89/49/1118018949.db2.gz ZJQQXMIDXWCSQQ-NWDGAFQWSA-N 2 1 298.883 3.621 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCC(C)(C)c3ccccc32)C1 ZINC000037643690 1118033300 /nfs/dbraw/zinc/03/33/00/1118033300.db2.gz PYXDVDZFWHUHCQ-MAUKXSAKSA-N 2 1 286.463 3.731 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cccc(Cl)c1 ZINC000037644053 1118033541 /nfs/dbraw/zinc/03/35/41/1118033541.db2.gz VMJWEHDTNXYKHC-CJNGLKHVSA-N 2 1 280.843 3.723 20 0 CHADMP C[NH2+]Cc1cn(-c2cc3[nH]ccc3c[nH+]2)c2ccc(C)cc12 ZINC001167121426 1118036758 /nfs/dbraw/zinc/03/67/58/1118036758.db2.gz LVNVHIIARCBORZ-UHFFFAOYSA-N 2 1 290.370 3.535 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccnc(Cl)c1 ZINC000089513088 1118056246 /nfs/dbraw/zinc/05/62/46/1118056246.db2.gz XXEOKYGVLWAKDJ-GFCCVEGCSA-N 2 1 295.858 3.649 20 0 CHADMP Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000125752577 1118056743 /nfs/dbraw/zinc/05/67/43/1118056743.db2.gz LDRFNBYFVLPZLI-QFBILLFUSA-N 2 1 286.463 3.692 20 0 CHADMP CCC[N@@H+](CCC[NH+]1CCCCC1)Cc1ccc(F)cc1 ZINC001167237397 1118112738 /nfs/dbraw/zinc/11/27/38/1118112738.db2.gz DMERVKQQZONODV-UHFFFAOYSA-N 2 1 292.442 3.914 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247178048 1118130160 /nfs/dbraw/zinc/13/01/60/1118130160.db2.gz YWIWBGHRGGAXPR-KGLIPLIRSA-N 2 1 280.843 3.675 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247178048 1118130162 /nfs/dbraw/zinc/13/01/62/1118130162.db2.gz YWIWBGHRGGAXPR-KGLIPLIRSA-N 2 1 280.843 3.675 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000247178048 1118130163 /nfs/dbraw/zinc/13/01/63/1118130163.db2.gz YWIWBGHRGGAXPR-KGLIPLIRSA-N 2 1 280.843 3.675 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247178048 1118130165 /nfs/dbraw/zinc/13/01/65/1118130165.db2.gz YWIWBGHRGGAXPR-KGLIPLIRSA-N 2 1 280.843 3.675 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CC[C@@H](C)SC2)C1 ZINC000655692551 1118185353 /nfs/dbraw/zinc/18/53/53/1118185353.db2.gz QLPFFANFZGLEHY-TWMKSMIVSA-N 2 1 298.540 3.618 20 0 CHADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000655695248 1118187274 /nfs/dbraw/zinc/18/72/74/1118187274.db2.gz VNSVSJMJNKHYBV-KURKYZTESA-N 2 1 284.447 3.507 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCc2cc(C)cc(C)c21 ZINC000655709395 1118190254 /nfs/dbraw/zinc/19/02/54/1118190254.db2.gz ZBGFTKQBSJQVSE-KBXCAEBGSA-N 2 1 297.446 3.722 20 0 CHADMP CC(C)=CCC[C@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001258095345 1128762414 /nfs/dbraw/zinc/76/24/14/1128762414.db2.gz BINGLLKXGTZYEI-INIZCTEOSA-N 2 1 264.457 3.539 20 0 CHADMP Cc1cc(Cl)ccc1C[NH2+]CCC[N@@H+](C)CC(C)C ZINC001651288912 1118266573 /nfs/dbraw/zinc/26/65/73/1118266573.db2.gz AATYBURQPNGBGF-UHFFFAOYSA-N 2 1 282.859 3.716 20 0 CHADMP Cc1cc(Cl)ccc1C[NH2+]CCC[N@H+](C)CC(C)C ZINC001651288912 1118266576 /nfs/dbraw/zinc/26/65/76/1118266576.db2.gz AATYBURQPNGBGF-UHFFFAOYSA-N 2 1 282.859 3.716 20 0 CHADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC[N@@H+]1C ZINC000624329089 1118284442 /nfs/dbraw/zinc/28/44/42/1118284442.db2.gz LIZKAWCPXGJDBL-XGWLTEMNSA-N 2 1 292.854 3.790 20 0 CHADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC[N@H+]1C ZINC000624329089 1118284446 /nfs/dbraw/zinc/28/44/46/1118284446.db2.gz LIZKAWCPXGJDBL-XGWLTEMNSA-N 2 1 292.854 3.790 20 0 CHADMP CC[C@H](C)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001167322143 1118284811 /nfs/dbraw/zinc/28/48/11/1118284811.db2.gz QNTGNWXUZIDPOK-DLBZAZTESA-N 2 1 266.473 3.621 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001167332394 1118318280 /nfs/dbraw/zinc/31/82/80/1118318280.db2.gz KKSXUJFUKPWSKV-LJQANCHMSA-N 2 1 288.479 3.673 20 0 CHADMP Cc1scc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1C ZINC000399855140 1118333278 /nfs/dbraw/zinc/33/32/78/1118333278.db2.gz MKJBCZRADAXPOS-HZPDHXFCSA-N 2 1 272.417 3.599 20 0 CHADMP CC(C)c1ccc(CC[N@@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000843054854 1118337791 /nfs/dbraw/zinc/33/77/91/1118337791.db2.gz KWTISLMCQQWVNX-UHFFFAOYSA-N 2 1 274.452 3.554 20 0 CHADMP CC(C)c1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123577910 1118339252 /nfs/dbraw/zinc/33/92/52/1118339252.db2.gz DBFCCOLSOIVMCP-QAPCUYQASA-N 2 1 274.452 3.725 20 0 CHADMP CC(C)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123577910 1118339257 /nfs/dbraw/zinc/33/92/57/1118339257.db2.gz DBFCCOLSOIVMCP-QAPCUYQASA-N 2 1 274.452 3.725 20 0 CHADMP CC(C)c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123577910 1118339260 /nfs/dbraw/zinc/33/92/60/1118339260.db2.gz DBFCCOLSOIVMCP-QAPCUYQASA-N 2 1 274.452 3.725 20 0 CHADMP CC(C)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123577910 1118339261 /nfs/dbraw/zinc/33/92/61/1118339261.db2.gz DBFCCOLSOIVMCP-QAPCUYQASA-N 2 1 274.452 3.725 20 0 CHADMP C[C@@H](CC[N@H+]1CCCC2(CC2)C1)[NH+]1CCCC2(CC2)C1 ZINC000352279510 1118341641 /nfs/dbraw/zinc/34/16/41/1118341641.db2.gz JXGLJXSFBBRIDB-INIZCTEOSA-N 2 1 276.468 3.517 20 0 CHADMP C[C@@H](CC[NH+]1CCCC2(CC2)C1)[N@@H+]1CCCC2(CC2)C1 ZINC000352279510 1118341644 /nfs/dbraw/zinc/34/16/44/1118341644.db2.gz JXGLJXSFBBRIDB-INIZCTEOSA-N 2 1 276.468 3.517 20 0 CHADMP C[C@@H](CC[NH+]1CCCC2(CC2)C1)[N@H+]1CCCC2(CC2)C1 ZINC000352279510 1118341647 /nfs/dbraw/zinc/34/16/47/1118341647.db2.gz JXGLJXSFBBRIDB-INIZCTEOSA-N 2 1 276.468 3.517 20 0 CHADMP CC[C@@H](C)CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000394475266 1118353875 /nfs/dbraw/zinc/35/38/75/1118353875.db2.gz MPTGCPYXNVKFOI-MRXNPFEDSA-N 2 1 274.452 3.677 20 0 CHADMP C[N@H+]1CCC[C@H]([NH2+][C@@H](c2ccccc2)C(C)(C)C)CC1 ZINC000086817908 1118397183 /nfs/dbraw/zinc/39/71/83/1118397183.db2.gz QRKIJYKOSXVBMW-IRXDYDNUSA-N 2 1 274.452 3.848 20 0 CHADMP CC[N@H+](C)C[C@@H]1CC[NH+](C/C=C\c2ccc(Cl)cc2)C1 ZINC000255538729 1118458860 /nfs/dbraw/zinc/45/88/60/1118458860.db2.gz APIPKGJTLPRKKZ-AWFCHZOYSA-N 2 1 292.854 3.627 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C\c2ccc(Cl)cc2)C1 ZINC000255538729 1118458861 /nfs/dbraw/zinc/45/88/61/1118458861.db2.gz APIPKGJTLPRKKZ-AWFCHZOYSA-N 2 1 292.854 3.627 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@H+](C/C=C\c2ccc(Cl)cc2)C1 ZINC000255538729 1118458864 /nfs/dbraw/zinc/45/88/64/1118458864.db2.gz APIPKGJTLPRKKZ-AWFCHZOYSA-N 2 1 292.854 3.627 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C\c2ccc(Cl)cc2)C1 ZINC000255538729 1118458866 /nfs/dbraw/zinc/45/88/66/1118458866.db2.gz APIPKGJTLPRKKZ-AWFCHZOYSA-N 2 1 292.854 3.627 20 0 CHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCCCC1 ZINC000398229210 1118503126 /nfs/dbraw/zinc/50/31/26/1118503126.db2.gz WDAONCOYSXIIBC-LPHOPBHVSA-N 2 1 286.463 3.819 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCCCC1 ZINC000398229210 1118503127 /nfs/dbraw/zinc/50/31/27/1118503127.db2.gz WDAONCOYSXIIBC-LPHOPBHVSA-N 2 1 286.463 3.819 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(C)C ZINC000126850070 1118512143 /nfs/dbraw/zinc/51/21/43/1118512143.db2.gz HUUTXIKMVXAAAB-DOTOQJQBSA-N 2 1 294.508 3.984 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C(C)C ZINC000126850070 1118512148 /nfs/dbraw/zinc/51/21/48/1118512148.db2.gz HUUTXIKMVXAAAB-DOTOQJQBSA-N 2 1 294.508 3.984 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000580916401 1118521765 /nfs/dbraw/zinc/52/17/65/1118521765.db2.gz UCNLCTKZTIUZOI-BFHYXJOUSA-N 2 1 294.405 3.818 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000580916401 1118521767 /nfs/dbraw/zinc/52/17/67/1118521767.db2.gz UCNLCTKZTIUZOI-BFHYXJOUSA-N 2 1 294.405 3.818 20 0 CHADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001167443164 1118534670 /nfs/dbraw/zinc/53/46/70/1118534670.db2.gz NYKOFSXKCKXIFA-FGTMMUONSA-N 2 1 278.484 3.763 20 0 CHADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000430551371 1118559084 /nfs/dbraw/zinc/55/90/84/1118559084.db2.gz HUJXLBHGOLDDTJ-APWZRJJASA-N 2 1 296.458 3.832 20 0 CHADMP CC(C)[C@@H](C[NH2+]C1CCC(C(C)C)CC1)[NH+]1CCCC1 ZINC000109764500 1118581405 /nfs/dbraw/zinc/58/14/05/1118581405.db2.gz USVVYYNNJMFFJV-DAWZGUTISA-N 2 1 280.500 3.911 20 0 CHADMP C[C@@H]1CCC[C@@](C[NH2+]C2CCCCCC2)([NH+](C)C)C1 ZINC000109923981 1118588519 /nfs/dbraw/zinc/58/85/19/1118588519.db2.gz FYNWKZMLWPWEAM-NVXWUHKLSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@@H]1CCC[C@](C[NH2+]CC2CCCCC2)([NH+](C)C)C1 ZINC000109924064 1118589747 /nfs/dbraw/zinc/58/97/47/1118589747.db2.gz XDQMVKZYCKIWGE-WBVHZDCISA-N 2 1 266.473 3.667 20 0 CHADMP C[C@@H](c1ccccc1)[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000394916380 1118623754 /nfs/dbraw/zinc/62/37/54/1118623754.db2.gz JOMJEBYWRBSGEB-HNNXBMFYSA-N 2 1 280.415 3.525 20 0 CHADMP CCCC1CCC([NH2+]CC[N@H+](C)C2CCCC2)CC1 ZINC000109964330 1118626604 /nfs/dbraw/zinc/62/66/04/1118626604.db2.gz QXTCIMPPLLEELB-UHFFFAOYSA-N 2 1 266.473 3.809 20 0 CHADMP CCCC1CCC([NH2+]CC[N@@H+](C)C2CCCC2)CC1 ZINC000109964330 1118626606 /nfs/dbraw/zinc/62/66/06/1118626606.db2.gz QXTCIMPPLLEELB-UHFFFAOYSA-N 2 1 266.473 3.809 20 0 CHADMP c1cc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc(C2CCCC2)c1 ZINC000656785380 1118657734 /nfs/dbraw/zinc/65/77/34/1118657734.db2.gz GVVSJCGNBTUAOR-UHFFFAOYSA-N 2 1 284.447 3.672 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000723617954 1118670385 /nfs/dbraw/zinc/67/03/85/1118670385.db2.gz BEFQVRDZVZAYJI-GVDBMIGSSA-N 2 1 275.440 3.530 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](CC)c2ccccc2)CC1 ZINC000510468064 1118705935 /nfs/dbraw/zinc/70/59/35/1118705935.db2.gz WMVAGCMGZQQWRJ-QGZVFWFLSA-N 2 1 288.479 3.986 20 0 CHADMP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1cnc(C)s1 ZINC000090407622 1118724224 /nfs/dbraw/zinc/72/42/24/1118724224.db2.gz QFANFDCYNXJENW-CYBMUJFWSA-N 2 1 283.485 3.614 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@]2(C)CCCS2)CC1 ZINC000628133857 1118727276 /nfs/dbraw/zinc/72/72/76/1118727276.db2.gz SUOOCZUFKGMRPD-KRWDZBQOSA-N 2 1 298.540 3.716 20 0 CHADMP C[C@@H]1C[C@H](Nc2cc[nH+]c3cc(Cl)ccc23)CC[N@@H+]1C ZINC000090795108 1118765393 /nfs/dbraw/zinc/76/53/93/1118765393.db2.gz LZTUEMMSYUYEJR-DGCLKSJQSA-N 2 1 289.810 3.783 20 0 CHADMP C[C@@H]1C[C@H](Nc2cc[nH+]c3cc(Cl)ccc23)CC[N@H+]1C ZINC000090795108 1118765395 /nfs/dbraw/zinc/76/53/95/1118765395.db2.gz LZTUEMMSYUYEJR-DGCLKSJQSA-N 2 1 289.810 3.783 20 0 CHADMP CSc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1F ZINC000158155898 1118788637 /nfs/dbraw/zinc/78/86/37/1118788637.db2.gz FNJZJAFYPQDNQI-QWHCGFSZSA-N 2 1 296.455 3.540 20 0 CHADMP Cc1ccc(N2CCC([NH2+][C@H]3CC[C@H]3C3CCC3)CC2)[nH+]c1 ZINC000510712704 1118793210 /nfs/dbraw/zinc/79/32/10/1118793210.db2.gz IHROLYLAFJWIJL-ROUUACIJSA-N 2 1 299.462 3.527 20 0 CHADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000562956415 1118794961 /nfs/dbraw/zinc/79/49/61/1118794961.db2.gz SJQDCGOQQSAELB-LBPRGKRZSA-N 2 1 283.485 3.614 20 0 CHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000090720590 1118814261 /nfs/dbraw/zinc/81/42/61/1118814261.db2.gz CFAHTQADZFZYMD-CMPLNLGQSA-N 2 1 287.234 3.566 20 0 CHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000090720590 1118814264 /nfs/dbraw/zinc/81/42/64/1118814264.db2.gz CFAHTQADZFZYMD-CMPLNLGQSA-N 2 1 287.234 3.566 20 0 CHADMP c1ccc(C([NH2+][C@H]2CCC[NH2+]CC2)c2ccccc2)cc1 ZINC000133560636 1118864707 /nfs/dbraw/zinc/86/47/07/1118864707.db2.gz VZLYZGWSOXDPHS-SFHVURJKSA-N 2 1 280.415 3.508 20 0 CHADMP CCc1oc2ccccc2c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262033500 1118958185 /nfs/dbraw/zinc/95/81/85/1118958185.db2.gz OHUHGWGNCLVDLY-UHFFFAOYSA-N 2 1 298.430 3.571 20 0 CHADMP CC1(C)Cc2occc2[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000119668734 1118999948 /nfs/dbraw/zinc/99/99/48/1118999948.db2.gz FLMXCGCHUYINMX-MRXNPFEDSA-N 2 1 288.435 3.510 20 0 CHADMP CC[C@H](C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21)c1ccccc1 ZINC000582115067 1119015105 /nfs/dbraw/zinc/01/51/05/1119015105.db2.gz WDJAFCHOAFSJAU-BHIYHBOVSA-N 2 1 286.463 3.596 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCC(C)(C)C)C1 ZINC000582196463 1119032307 /nfs/dbraw/zinc/03/23/07/1119032307.db2.gz AGADJROJZMAWJA-GJZGRUSLSA-N 2 1 254.462 3.523 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000516743489 1119107045 /nfs/dbraw/zinc/10/70/45/1119107045.db2.gz LMOWZHLKLYSCIL-GOSISDBHSA-N 2 1 274.452 3.516 20 0 CHADMP CC[NH+]1CCC([N@H+](C)CCC2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001167586472 1119121317 /nfs/dbraw/zinc/12/13/17/1119121317.db2.gz MWHIPMAKEOKJHH-HZPDHXFCSA-N 2 1 280.500 3.865 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)CCC2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001167586472 1119121320 /nfs/dbraw/zinc/12/13/20/1119121320.db2.gz MWHIPMAKEOKJHH-HZPDHXFCSA-N 2 1 280.500 3.865 20 0 CHADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000472234702 1119135817 /nfs/dbraw/zinc/13/58/17/1119135817.db2.gz XCVQCWXMSONKDZ-SJLPKXTDSA-N 2 1 286.463 3.720 20 0 CHADMP Cc1cccc([C@@H](C)[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000472234702 1119135820 /nfs/dbraw/zinc/13/58/20/1119135820.db2.gz XCVQCWXMSONKDZ-SJLPKXTDSA-N 2 1 286.463 3.720 20 0 CHADMP Cc1cccc([C@@H](C)[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000472234702 1119135822 /nfs/dbraw/zinc/13/58/22/1119135822.db2.gz XCVQCWXMSONKDZ-SJLPKXTDSA-N 2 1 286.463 3.720 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000628201309 1128827362 /nfs/dbraw/zinc/82/73/62/1128827362.db2.gz AUXGOIMQIQSPGM-HZPDHXFCSA-N 2 1 285.435 3.529 20 0 CHADMP C[C@@H](c1cccs1)[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000688008424 1128827762 /nfs/dbraw/zinc/82/77/62/1128827762.db2.gz WMHQPDZXKAPFIF-NSHDSACASA-N 2 1 292.473 3.648 20 0 CHADMP CC[C@@H](Cc1ccccc1)[N@H+](CC)CCCn1cc[nH+]c1C ZINC000342859902 1119212281 /nfs/dbraw/zinc/21/22/81/1119212281.db2.gz LCAVADYFNBSWKY-IBGZPJMESA-N 2 1 299.462 3.925 20 0 CHADMP CC[C@@H](Cc1ccccc1)[N@@H+](CC)CCCn1cc[nH+]c1C ZINC000342859902 1119212284 /nfs/dbraw/zinc/21/22/84/1119212284.db2.gz LCAVADYFNBSWKY-IBGZPJMESA-N 2 1 299.462 3.925 20 0 CHADMP CCC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119674418 1119219800 /nfs/dbraw/zinc/21/98/00/1119219800.db2.gz ULDDZCMVGMUHMS-GOSISDBHSA-N 2 1 286.463 3.614 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000657681108 1119243851 /nfs/dbraw/zinc/24/38/51/1119243851.db2.gz MOINGAWBPAABBB-RTBURBONSA-N 2 1 298.474 3.962 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000657681108 1119243854 /nfs/dbraw/zinc/24/38/54/1119243854.db2.gz MOINGAWBPAABBB-RTBURBONSA-N 2 1 298.474 3.962 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccsc1)C(C)(C)C ZINC000661133440 1119273370 /nfs/dbraw/zinc/27/33/70/1119273370.db2.gz IXAKJJBXBYQIKG-UHFFFAOYSA-N 2 1 277.437 3.554 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccsc1)C(C)(C)C ZINC000661133440 1119273372 /nfs/dbraw/zinc/27/33/72/1119273372.db2.gz IXAKJJBXBYQIKG-UHFFFAOYSA-N 2 1 277.437 3.554 20 0 CHADMP Cc1nccn1CC[N@H+]1CCC[C@H]1c1c(C)cccc1C ZINC000661137975 1119291533 /nfs/dbraw/zinc/29/15/33/1119291533.db2.gz VDZKOJBGRAZJGF-KRWDZBQOSA-N 2 1 283.419 3.645 20 0 CHADMP CC(C)Cc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000088296610 1119314501 /nfs/dbraw/zinc/31/45/01/1119314501.db2.gz VTQKYVMZJOBXPY-UHFFFAOYSA-N 2 1 286.463 3.602 20 0 CHADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000261837043 1119357310 /nfs/dbraw/zinc/35/73/10/1119357310.db2.gz CCAFIZGQCNPDRJ-CABCVRRESA-N 2 1 292.426 3.816 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000583944371 1119437477 /nfs/dbraw/zinc/43/74/77/1119437477.db2.gz LIEDNZNZBHUSSA-MRXNPFEDSA-N 2 1 299.462 3.912 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC(C)(C)CC2)C1 ZINC000250520188 1119441628 /nfs/dbraw/zinc/44/16/28/1119441628.db2.gz SJCZIOIATQCFKV-CVEARBPZSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCCCC1)C(C)(C)C(F)F ZINC000657818513 1119457450 /nfs/dbraw/zinc/45/74/50/1119457450.db2.gz BTYYPAAHHRWYPC-GFCCVEGCSA-N 2 1 276.415 3.520 20 0 CHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cncs1 ZINC000158572949 1119458486 /nfs/dbraw/zinc/45/84/86/1119458486.db2.gz RSJBVRRNILKCCL-ZNMIVQPWSA-N 2 1 295.496 3.552 20 0 CHADMP Cc1cc(C[N@H+](C)CCC[NH+]2CCCC2)ccc1Cl ZINC000343600960 1119466910 /nfs/dbraw/zinc/46/69/10/1119466910.db2.gz PDJDFYNKBWNODV-UHFFFAOYSA-N 2 1 280.843 3.566 20 0 CHADMP Cc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)ccc1Cl ZINC000343600960 1119466912 /nfs/dbraw/zinc/46/69/12/1119466912.db2.gz PDJDFYNKBWNODV-UHFFFAOYSA-N 2 1 280.843 3.566 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](CCC(C)C)C(C)(C)C ZINC000343641346 1119477065 /nfs/dbraw/zinc/47/70/65/1119477065.db2.gz ZGOKICAOUDYGHL-OAHLLOKOSA-N 2 1 265.445 3.632 20 0 CHADMP CC(C)[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cccnc1 ZINC000091265805 1119554986 /nfs/dbraw/zinc/55/49/86/1119554986.db2.gz BTUDSNCFLQNIFW-SJLPKXTDSA-N 2 1 289.467 3.633 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000091346669 1119555482 /nfs/dbraw/zinc/55/54/82/1119555482.db2.gz UNVWGAMYQVVILC-MRXNPFEDSA-N 2 1 289.448 3.774 20 0 CHADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1C1CCC2(CCCC2)CC1 ZINC000129785437 1119556794 /nfs/dbraw/zinc/55/67/94/1119556794.db2.gz PNEMRCWUWVFGAP-CABCVRRESA-N 2 1 264.457 3.549 20 0 CHADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1cc(C)ccc1OC ZINC000093370018 1119573350 /nfs/dbraw/zinc/57/33/50/1119573350.db2.gz OIAWCLLYIAYVKZ-KRWDZBQOSA-N 2 1 290.451 3.529 20 0 CHADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000657875370 1119588949 /nfs/dbraw/zinc/58/89/49/1119588949.db2.gz DAZJSULJVYQSMF-RDJZCZTQSA-N 2 1 294.870 3.593 20 0 CHADMP C[C@@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCC[C@@H]2C)c1 ZINC000223629936 1119589048 /nfs/dbraw/zinc/58/90/48/1119589048.db2.gz OTWSOPPFAYYKDG-IYBDPMFKSA-N 2 1 272.436 3.655 20 0 CHADMP C[C@@H]1CCC[NH+]1Cc1cccc(C[N@@H+]2CCC[C@@H]2C)c1 ZINC000223629936 1119589051 /nfs/dbraw/zinc/58/90/51/1119589051.db2.gz OTWSOPPFAYYKDG-IYBDPMFKSA-N 2 1 272.436 3.655 20 0 CHADMP C[C@@H]1CCC[NH+]1Cc1cccc(C[N@H+]2CCC[C@@H]2C)c1 ZINC000223629936 1119589054 /nfs/dbraw/zinc/58/90/54/1119589054.db2.gz OTWSOPPFAYYKDG-IYBDPMFKSA-N 2 1 272.436 3.655 20 0 CHADMP CC(C)N1CCC([NH2+][C@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000657909768 1119626761 /nfs/dbraw/zinc/62/67/61/1119626761.db2.gz SEBFZTRSQYPFBK-GFCCVEGCSA-N 2 1 297.393 3.543 20 0 CHADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000657909768 1119626764 /nfs/dbraw/zinc/62/67/64/1119626764.db2.gz SEBFZTRSQYPFBK-GFCCVEGCSA-N 2 1 297.393 3.543 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C(F)F ZINC000658229241 1119706217 /nfs/dbraw/zinc/70/62/17/1119706217.db2.gz BBAUSGXFSWGZKW-OLZOCXBDSA-N 2 1 288.426 3.663 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)C(C)(C)C(F)F ZINC000658229241 1119706221 /nfs/dbraw/zinc/70/62/21/1119706221.db2.gz BBAUSGXFSWGZKW-OLZOCXBDSA-N 2 1 288.426 3.663 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CCSCC1 ZINC000658227953 1119706934 /nfs/dbraw/zinc/70/69/34/1119706934.db2.gz FCNXLFAUIPKWOY-GDBMZVCRSA-N 2 1 296.524 3.515 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)C1CCSCC1 ZINC000658227953 1119706937 /nfs/dbraw/zinc/70/69/37/1119706937.db2.gz FCNXLFAUIPKWOY-GDBMZVCRSA-N 2 1 296.524 3.515 20 0 CHADMP CC[C@H]1CO[C@](C)(CCC(C)C)[N@H+]1CC1CC[NH+](C)CC1 ZINC001207399104 1119735612 /nfs/dbraw/zinc/73/56/12/1119735612.db2.gz ZUGXLWZCOSBPEP-ZWKOTPCHSA-N 2 1 296.499 3.591 20 0 CHADMP CCC1([NH+](C)C)CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000631477696 1119773447 /nfs/dbraw/zinc/77/34/47/1119773447.db2.gz OCHJDMNTLAVDRI-UHFFFAOYSA-N 2 1 289.448 3.607 20 0 CHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000414176528 1119928203 /nfs/dbraw/zinc/92/82/03/1119928203.db2.gz IGZBTXUPTQMABS-KBXCAEBGSA-N 2 1 290.426 3.598 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1Cl ZINC000414189019 1119931327 /nfs/dbraw/zinc/93/13/27/1119931327.db2.gz QVKCNCWNXXLJRV-KGLIPLIRSA-N 2 1 280.843 3.723 20 0 CHADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414202416 1119936416 /nfs/dbraw/zinc/93/64/16/1119936416.db2.gz YPKPBSWXAFIIJA-JFIYKMOQSA-N 2 1 286.463 3.865 20 0 CHADMP Cc1ccc(C)c([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000414203357 1119937959 /nfs/dbraw/zinc/93/79/59/1119937959.db2.gz ZXJGYYLGYUOLGO-IRXDYDNUSA-N 2 1 274.452 3.686 20 0 CHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c2ccccc12 ZINC000414216195 1119943603 /nfs/dbraw/zinc/94/36/03/1119943603.db2.gz YYXVNLJBOOWTNR-DNVCBOLYSA-N 2 1 282.431 3.578 20 0 CHADMP Clc1ccsc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543550 1120004720 /nfs/dbraw/zinc/00/47/20/1120004720.db2.gz PESWSYCDRSRJNB-OLZOCXBDSA-N 2 1 298.883 3.613 20 0 CHADMP Clc1sccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543902 1120005022 /nfs/dbraw/zinc/00/50/22/1120005022.db2.gz UGKAQBPUNSYOGZ-OLZOCXBDSA-N 2 1 298.883 3.613 20 0 CHADMP CCC(CC)[C@H](C[NH2+][C@H]1CCC[C@H](C)CC1)[NH+](C)C ZINC000086880545 1120036168 /nfs/dbraw/zinc/03/61/68/1120036168.db2.gz LSALHSQWQZNZGK-XIRDDKMYSA-N 2 1 268.489 3.911 20 0 CHADMP [NH3+]Cc1ccc(C[N@H+]2CC[C@H](C3CCCCC3)C2)cc1 ZINC000708866821 1120040681 /nfs/dbraw/zinc/04/06/81/1120040681.db2.gz IZWXCXKWHRVPRV-SFHVURJKSA-N 2 1 272.436 3.548 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C(c2ccccc2)c2ccccc2)CCN1C ZINC000178032612 1120057242 /nfs/dbraw/zinc/05/72/42/1120057242.db2.gz LCWSMRZGHLPWLS-QFBILLFUSA-N 2 1 294.442 3.848 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNCc2ccccc2Cl)C1 ZINC000060978630 1120079775 /nfs/dbraw/zinc/07/97/75/1120079775.db2.gz LKTVFZWJBMNEJK-GASCZTMLSA-N 2 1 294.870 3.798 20 0 CHADMP CC(C)[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000624121934 1120101525 /nfs/dbraw/zinc/10/15/25/1120101525.db2.gz GGPKTOFOVJGJQC-SJLPKXTDSA-N 2 1 274.452 3.705 20 0 CHADMP CC(C)C1CCC(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000181480984 1120104010 /nfs/dbraw/zinc/10/40/10/1120104010.db2.gz DCMXULLREQNWKP-RDHHWEPZSA-N 2 1 266.473 3.521 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2c(c1)CCCC2 ZINC000378880803 1120136730 /nfs/dbraw/zinc/13/67/30/1120136730.db2.gz GHQGOGPEJREOJE-YSSFQJQWSA-N 2 1 298.474 3.843 20 0 CHADMP CCCC[N@H+](CC)CC[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168684488 1120243788 /nfs/dbraw/zinc/24/37/88/1120243788.db2.gz JRDOIFLEJIKHMJ-OAHLLOKOSA-N 2 1 294.870 3.519 20 0 CHADMP CCCC[N@@H+](CC)CC[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168684488 1120243792 /nfs/dbraw/zinc/24/37/92/1120243792.db2.gz JRDOIFLEJIKHMJ-OAHLLOKOSA-N 2 1 294.870 3.519 20 0 CHADMP CCC(C)(C)C1CCC([N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000229063440 1120251608 /nfs/dbraw/zinc/25/16/08/1120251608.db2.gz XRHWAAJAOAXLQC-JUVOFCAFSA-N 2 1 280.500 3.898 20 0 CHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC2CC=CC2)C1 ZINC000659929826 1120291140 /nfs/dbraw/zinc/29/11/40/1120291140.db2.gz WJTXMQADLNIJMI-SJLPKXTDSA-N 2 1 276.468 3.539 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC2CC=CC2)C1 ZINC000659929826 1120291144 /nfs/dbraw/zinc/29/11/44/1120291144.db2.gz WJTXMQADLNIJMI-SJLPKXTDSA-N 2 1 276.468 3.539 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC2CC=CC2)C1 ZINC000659929826 1120291145 /nfs/dbraw/zinc/29/11/45/1120291145.db2.gz WJTXMQADLNIJMI-SJLPKXTDSA-N 2 1 276.468 3.539 20 0 CHADMP CC(C)(C)CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000499556135 1120321714 /nfs/dbraw/zinc/32/17/14/1120321714.db2.gz YQCJHSPDWMHBBZ-WBVHZDCISA-N 2 1 278.484 3.761 20 0 CHADMP CC(C)(C)CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000499556135 1120321718 /nfs/dbraw/zinc/32/17/18/1120321718.db2.gz YQCJHSPDWMHBBZ-WBVHZDCISA-N 2 1 278.484 3.761 20 0 CHADMP CC(C)(C)CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000499556135 1120321723 /nfs/dbraw/zinc/32/17/23/1120321723.db2.gz YQCJHSPDWMHBBZ-WBVHZDCISA-N 2 1 278.484 3.761 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000312432925 1120362299 /nfs/dbraw/zinc/36/22/99/1120362299.db2.gz AUOBJOZLZONBRQ-KDOFPFPSSA-N 2 1 268.404 3.572 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(SC)c2)[C@@H](C)C1 ZINC000660082992 1120369567 /nfs/dbraw/zinc/36/95/67/1120369567.db2.gz PTAGGTBKIPKIJH-YOEHRIQHSA-N 2 1 292.492 3.571 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(SC)c2)[C@@H](C)C1 ZINC000660082992 1120369572 /nfs/dbraw/zinc/36/95/72/1120369572.db2.gz PTAGGTBKIPKIJH-YOEHRIQHSA-N 2 1 292.492 3.571 20 0 CHADMP C(CC1CCC1)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000660114207 1120381230 /nfs/dbraw/zinc/38/12/30/1120381230.db2.gz GIXUJUSZQUVWQX-AEFFLSMTSA-N 2 1 276.468 3.515 20 0 CHADMP C(CC1CCC1)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000660114207 1120381233 /nfs/dbraw/zinc/38/12/33/1120381233.db2.gz GIXUJUSZQUVWQX-AEFFLSMTSA-N 2 1 276.468 3.515 20 0 CHADMP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629544753 1128914446 /nfs/dbraw/zinc/91/44/46/1128914446.db2.gz JFUKZDYHLFEYTC-JKIFEVAISA-N 2 1 299.462 3.564 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccc2ccccc21 ZINC000629545923 1128914878 /nfs/dbraw/zinc/91/48/78/1128914878.db2.gz SNHGOSAWZCQCDM-MORSLUCNSA-N 2 1 268.404 3.631 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C2CC2)cc1 ZINC000417355301 1120434557 /nfs/dbraw/zinc/43/45/57/1120434557.db2.gz NJCHHVWKZAEOKE-JVPBZIDWSA-N 2 1 284.447 3.841 20 0 CHADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@H](C)c1ccccc1 ZINC000584808038 1120453378 /nfs/dbraw/zinc/45/33/78/1120453378.db2.gz DXZDFSGVMVQLQV-KRWDZBQOSA-N 2 1 274.452 3.598 20 0 CHADMP CN1CCC[C@@H](C[N@@H+](C)[C@H]2CCc3ccc(Cl)cc32)C1 ZINC000543203723 1120461990 /nfs/dbraw/zinc/46/19/90/1120461990.db2.gz VPTKCGWFAKFUNC-DYVFJYSZSA-N 2 1 292.854 3.601 20 0 CHADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCc2ccc(Cl)cc21 ZINC000543203723 1120461992 /nfs/dbraw/zinc/46/19/92/1120461992.db2.gz VPTKCGWFAKFUNC-DYVFJYSZSA-N 2 1 292.854 3.601 20 0 CHADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCc2ccc(Cl)cc21 ZINC000543203723 1120461994 /nfs/dbraw/zinc/46/19/94/1120461994.db2.gz VPTKCGWFAKFUNC-DYVFJYSZSA-N 2 1 292.854 3.601 20 0 CHADMP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000651454314 1120491506 /nfs/dbraw/zinc/49/15/06/1120491506.db2.gz KCKWIAOTTMYASG-FZVJDINQSA-N 2 1 284.447 3.525 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222141288 1120492886 /nfs/dbraw/zinc/49/28/86/1120492886.db2.gz JPHFZMQOIUTUMP-ZWKOTPCHSA-N 2 1 278.484 3.835 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000428881939 1120551548 /nfs/dbraw/zinc/55/15/48/1120551548.db2.gz PAOOKTSSWHJDQC-UHFFFAOYSA-N 2 1 294.386 3.587 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000428881939 1120551551 /nfs/dbraw/zinc/55/15/51/1120551551.db2.gz PAOOKTSSWHJDQC-UHFFFAOYSA-N 2 1 294.386 3.587 20 0 CHADMP CSCC1CCC([NH2+][C@@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000925677814 1120565445 /nfs/dbraw/zinc/56/54/45/1120565445.db2.gz ABDBIJJNDPHOKG-VFNXUKNFSA-N 2 1 292.492 3.586 20 0 CHADMP c1[nH+]c(C2CC[NH+](CCC3CCC3)CC2)n2c1CCCC2 ZINC000660436604 1120610529 /nfs/dbraw/zinc/61/05/29/1120610529.db2.gz TXENLYDZZIQERY-UHFFFAOYSA-N 2 1 287.451 3.589 20 0 CHADMP CCC[C@H](C)CCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000625213105 1120645502 /nfs/dbraw/zinc/64/55/02/1120645502.db2.gz KPCLCMTWELOAHM-XHSDSOJGSA-N 2 1 254.462 3.617 20 0 CHADMP CCC[C@H](C)CCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000625213105 1120645507 /nfs/dbraw/zinc/64/55/07/1120645507.db2.gz KPCLCMTWELOAHM-XHSDSOJGSA-N 2 1 254.462 3.617 20 0 CHADMP CCC[C@H](C)CCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000625213105 1120645510 /nfs/dbraw/zinc/64/55/10/1120645510.db2.gz KPCLCMTWELOAHM-XHSDSOJGSA-N 2 1 254.462 3.617 20 0 CHADMP CCC[C@H](C)CCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000625213105 1120645512 /nfs/dbraw/zinc/64/55/12/1120645512.db2.gz KPCLCMTWELOAHM-XHSDSOJGSA-N 2 1 254.462 3.617 20 0 CHADMP Cc1cccc(C)c1[C@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000661137956 1120726439 /nfs/dbraw/zinc/72/64/39/1120726439.db2.gz USMFRZQTZMPAMD-GOSISDBHSA-N 2 1 297.446 3.807 20 0 CHADMP Cc1cccc(C)c1[C@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000661137956 1120726444 /nfs/dbraw/zinc/72/64/44/1120726444.db2.gz USMFRZQTZMPAMD-GOSISDBHSA-N 2 1 297.446 3.807 20 0 CHADMP CC[C@@H](C)C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000093075587 1128936348 /nfs/dbraw/zinc/93/63/48/1128936348.db2.gz BFXKGCQAHACPCG-HZPDHXFCSA-N 2 1 274.452 3.848 20 0 CHADMP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000054601806 1120775579 /nfs/dbraw/zinc/77/55/79/1120775579.db2.gz BAYBKCFQOHJNEB-AYHJJNSGSA-N 2 1 272.436 3.572 20 0 CHADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150758572 1120777163 /nfs/dbraw/zinc/77/71/63/1120777163.db2.gz UWNPGIRYSBHHRT-AEFFLSMTSA-N 2 1 272.436 3.555 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251503843 1120883445 /nfs/dbraw/zinc/88/34/45/1120883445.db2.gz GNHAWYZYJMGENW-UXLLHSPISA-N 2 1 282.431 3.960 20 0 CHADMP CC[C@H]1C[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000662273710 1120916638 /nfs/dbraw/zinc/91/66/38/1120916638.db2.gz YUSKYOVZMAFJFS-JFRXWTBNSA-N 2 1 286.463 3.630 20 0 CHADMP Cc1cccc(CC[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c1 ZINC000221918107 1120938048 /nfs/dbraw/zinc/93/80/48/1120938048.db2.gz KELFIALNRTYVBW-QGZVFWFLSA-N 2 1 276.468 3.636 20 0 CHADMP CCC(CC)(C[NH2+]C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000663353682 1120944104 /nfs/dbraw/zinc/94/41/04/1120944104.db2.gz BSYYHYWNDIXMTM-UHFFFAOYSA-N 2 1 292.442 3.567 20 0 CHADMP C[NH+](C)CCC[N@H+](C)Cc1cccc(-c2ccsc2)c1 ZINC001141376678 1120951639 /nfs/dbraw/zinc/95/16/39/1120951639.db2.gz ABIMEIHUTWWYQL-UHFFFAOYSA-N 2 1 288.460 3.799 20 0 CHADMP C[NH+](C)CCC[N@@H+](C)Cc1cccc(-c2ccsc2)c1 ZINC001141376678 1120951641 /nfs/dbraw/zinc/95/16/41/1120951641.db2.gz ABIMEIHUTWWYQL-UHFFFAOYSA-N 2 1 288.460 3.799 20 0 CHADMP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467269 1120980569 /nfs/dbraw/zinc/98/05/69/1120980569.db2.gz ZTPINUKUFKJUEA-MHORFTMASA-N 2 1 290.495 3.523 20 0 CHADMP c1ccc([C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C2CC2)cc1 ZINC000663467680 1120983654 /nfs/dbraw/zinc/98/36/54/1120983654.db2.gz HCMWFCXJRLIGPC-PXNSSMCTSA-N 2 1 298.474 3.849 20 0 CHADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469598 1120984962 /nfs/dbraw/zinc/98/49/62/1120984962.db2.gz QWWQMVKWKKGAAA-SQNIBIBYSA-N 2 1 278.484 3.523 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001167825609 1121000071 /nfs/dbraw/zinc/00/00/71/1121000071.db2.gz KJHXOAITDDRCTE-ZIAGYGMSSA-N 2 1 294.405 3.771 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H]1c1ccccn1 ZINC001167827913 1121005354 /nfs/dbraw/zinc/00/53/54/1121005354.db2.gz ZLFQQNQZAJFFFT-SJLPKXTDSA-N 2 1 289.467 3.729 20 0 CHADMP CC[C@@H]1CCC[C@@H](C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C1 ZINC000344068759 1121071113 /nfs/dbraw/zinc/07/11/13/1121071113.db2.gz KJGOMPORGASAAO-DJIMGWMZSA-N 2 1 277.456 3.634 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000344169646 1121110995 /nfs/dbraw/zinc/11/09/95/1121110995.db2.gz LYXZJGGSSQYHJT-GOSISDBHSA-N 2 1 283.419 3.713 20 0 CHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H]2CC=CCC2)C1 ZINC000512180727 1121145246 /nfs/dbraw/zinc/14/52/46/1121145246.db2.gz OWNWEJNOFNKPHL-GUDVDZBRSA-N 2 1 290.495 3.929 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000512180727 1121145248 /nfs/dbraw/zinc/14/52/48/1121145248.db2.gz OWNWEJNOFNKPHL-GUDVDZBRSA-N 2 1 290.495 3.929 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000512180727 1121145253 /nfs/dbraw/zinc/14/52/53/1121145253.db2.gz OWNWEJNOFNKPHL-GUDVDZBRSA-N 2 1 290.495 3.929 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000162830281 1121160118 /nfs/dbraw/zinc/16/01/18/1121160118.db2.gz NEMUTHSRFLFAOV-MRXNPFEDSA-N 2 1 289.448 3.870 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000162830281 1121160121 /nfs/dbraw/zinc/16/01/21/1121160121.db2.gz NEMUTHSRFLFAOV-MRXNPFEDSA-N 2 1 289.448 3.870 20 0 CHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H]1c1ccsc1 ZINC000351619923 1121190678 /nfs/dbraw/zinc/19/06/78/1121190678.db2.gz OESSIBWEFYJYEZ-JKSUJKDBSA-N 2 1 278.465 3.759 20 0 CHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000351619923 1121190680 /nfs/dbraw/zinc/19/06/80/1121190680.db2.gz OESSIBWEFYJYEZ-JKSUJKDBSA-N 2 1 278.465 3.759 20 0 CHADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000351619923 1121190686 /nfs/dbraw/zinc/19/06/86/1121190686.db2.gz OESSIBWEFYJYEZ-JKSUJKDBSA-N 2 1 278.465 3.759 20 0 CHADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000436228216 1121216034 /nfs/dbraw/zinc/21/60/34/1121216034.db2.gz ATSDFOLZKUACEY-RYQLBKOJSA-N 2 1 274.452 3.643 20 0 CHADMP C[C@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)c1cccc(Cl)c1 ZINC000189702081 1121271590 /nfs/dbraw/zinc/27/15/90/1121271590.db2.gz UCMXKOQNWLREIR-HUUCEWRRSA-N 2 1 294.870 3.717 20 0 CHADMP C[C@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000189702081 1121271591 /nfs/dbraw/zinc/27/15/91/1121271591.db2.gz UCMXKOQNWLREIR-HUUCEWRRSA-N 2 1 294.870 3.717 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246246463 1121287629 /nfs/dbraw/zinc/28/76/29/1121287629.db2.gz VNGGTJUTJFIQBP-GJZGRUSLSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246246463 1121287635 /nfs/dbraw/zinc/28/76/35/1121287635.db2.gz VNGGTJUTJFIQBP-GJZGRUSLSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc2ccccc21 ZINC000124368415 1121293086 /nfs/dbraw/zinc/29/30/86/1121293086.db2.gz MWMNGBIIAZCORE-JKSUJKDBSA-N 2 1 294.442 3.975 20 0 CHADMP C[N@H+](Cc1ccc(-c2ccccc2)o1)CC1CC[NH+](C)CC1 ZINC000093088574 1121307722 /nfs/dbraw/zinc/30/77/22/1121307722.db2.gz MCEPPEOEELXZJO-UHFFFAOYSA-N 2 1 298.430 3.720 20 0 CHADMP c1ccc([C@H](CC2CC2)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000675751885 1121351484 /nfs/dbraw/zinc/35/14/84/1121351484.db2.gz BMFLZDOJCFBGEN-OTWHNJEPSA-N 2 1 284.447 3.744 20 0 CHADMP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000675752228 1121352261 /nfs/dbraw/zinc/35/22/61/1121352261.db2.gz OCRXCISDEHHVNM-QRVBRYPASA-N 2 1 286.463 3.614 20 0 CHADMP CCc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000432791479 1121356694 /nfs/dbraw/zinc/35/66/94/1121356694.db2.gz GPADNZVZDZHXSJ-OAHLLOKOSA-N 2 1 294.870 3.819 20 0 CHADMP CCc1cccc(Cl)c1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000432791479 1121356701 /nfs/dbraw/zinc/35/67/01/1121356701.db2.gz GPADNZVZDZHXSJ-OAHLLOKOSA-N 2 1 294.870 3.819 20 0 CHADMP CCSc1cccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000432796440 1121359126 /nfs/dbraw/zinc/35/91/26/1121359126.db2.gz AIPNSTWXJFZJRB-INIZCTEOSA-N 2 1 292.492 3.715 20 0 CHADMP CCSc1cccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000432796440 1121359135 /nfs/dbraw/zinc/35/91/35/1121359135.db2.gz AIPNSTWXJFZJRB-INIZCTEOSA-N 2 1 292.492 3.715 20 0 CHADMP CC[C@@H](Cc1cccs1)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000675816609 1121366424 /nfs/dbraw/zinc/36/64/24/1121366424.db2.gz ITRSAQYVIDPSHD-HIFRSBDPSA-N 2 1 291.464 3.500 20 0 CHADMP Cc1cc2cc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)oc2cc1C ZINC000261681924 1121391373 /nfs/dbraw/zinc/39/13/73/1121391373.db2.gz AJHWOOBSMVSJCU-UHFFFAOYSA-N 2 1 298.430 3.625 20 0 CHADMP C[NH+](CCC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000512541802 1121423345 /nfs/dbraw/zinc/42/33/45/1121423345.db2.gz IIBKJSSRJMQBKT-SJPCQFCGSA-N 2 1 264.457 3.514 20 0 CHADMP C[N@@H+](CCC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512541802 1121423338 /nfs/dbraw/zinc/42/33/38/1121423338.db2.gz IIBKJSSRJMQBKT-SJPCQFCGSA-N 2 1 264.457 3.514 20 0 CHADMP C[NH+](CCC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000512541802 1121423343 /nfs/dbraw/zinc/42/33/43/1121423343.db2.gz IIBKJSSRJMQBKT-SJPCQFCGSA-N 2 1 264.457 3.514 20 0 CHADMP c1ccc2c(c1)cccc2C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000314763624 1121444915 /nfs/dbraw/zinc/44/49/15/1121444915.db2.gz RDKABHUUHFICEH-UYAOXDASSA-N 2 1 294.442 3.804 20 0 CHADMP C[C@H](c1cc2ccccc2o1)[N@@H+](C)CCCCCC[NH3+] ZINC000710843504 1121475980 /nfs/dbraw/zinc/47/59/80/1121475980.db2.gz VCZCIFOBICSXHM-CQSZACIVSA-N 2 1 274.408 3.945 20 0 CHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC4CCC4)[C@@H]3C2)cc1 ZINC000512614305 1121494617 /nfs/dbraw/zinc/49/46/17/1121494617.db2.gz VMQBSPJGUOGBMA-XUVXKRRUSA-N 2 1 298.474 3.677 20 0 CHADMP c1ccc([C@H]2CCC[C@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000631184370 1128990871 /nfs/dbraw/zinc/99/08/71/1128990871.db2.gz LLSWZHQRDQURBB-FCGDIQPGSA-N 2 1 284.447 3.539 20 0 CHADMP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCC1CCCCC1 ZINC001176069750 1121528985 /nfs/dbraw/zinc/52/89/85/1121528985.db2.gz LFLIGYWDGDBXAD-DLBZAZTESA-N 2 1 264.457 3.515 20 0 CHADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCCC1CCCCC1 ZINC001176069750 1121528988 /nfs/dbraw/zinc/52/89/88/1121528988.db2.gz LFLIGYWDGDBXAD-DLBZAZTESA-N 2 1 264.457 3.515 20 0 CHADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCC1CCCCC1 ZINC001176069750 1121528996 /nfs/dbraw/zinc/52/89/96/1121528996.db2.gz LFLIGYWDGDBXAD-DLBZAZTESA-N 2 1 264.457 3.515 20 0 CHADMP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCC1CCCCC1 ZINC001176069750 1121528976 /nfs/dbraw/zinc/52/89/76/1121528976.db2.gz LFLIGYWDGDBXAD-DLBZAZTESA-N 2 1 264.457 3.515 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@H]1CCSc2ccccc21 ZINC000019943083 1121600454 /nfs/dbraw/zinc/60/04/54/1121600454.db2.gz YSYCPMJXJZVPIE-HNNXBMFYSA-N 2 1 278.465 3.545 20 0 CHADMP C[C@H](c1cc(F)ccc1F)[N@@H+](C)CCCCCCC[NH3+] ZINC000842471566 1121624455 /nfs/dbraw/zinc/62/44/55/1121624455.db2.gz JKQGKLOGISACTG-CYBMUJFWSA-N 2 1 284.394 3.867 20 0 CHADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CCCCCCC[NH3+] ZINC000842471678 1121624696 /nfs/dbraw/zinc/62/46/96/1121624696.db2.gz RPCWAUQPKBDICM-CYBMUJFWSA-N 2 1 284.394 3.867 20 0 CHADMP c1ccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C2CCC2)cc1 ZINC000166487608 1121629791 /nfs/dbraw/zinc/62/97/91/1121629791.db2.gz ZQCXVNPGQPAENM-OTWHNJEPSA-N 2 1 284.447 3.744 20 0 CHADMP C[C@H](CCC1CCCCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000161600418 1121643713 /nfs/dbraw/zinc/64/37/13/1121643713.db2.gz NPUUIHXLZYXMBA-BPQIPLTHSA-N 2 1 278.484 3.952 20 0 CHADMP F[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001176808643 1121696031 /nfs/dbraw/zinc/69/60/31/1121696031.db2.gz OIVCEUNIGIWFDM-SFHVURJKSA-N 2 1 290.426 3.606 20 0 CHADMP F[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001176808643 1121696035 /nfs/dbraw/zinc/69/60/35/1121696035.db2.gz OIVCEUNIGIWFDM-SFHVURJKSA-N 2 1 290.426 3.606 20 0 CHADMP CCCC[NH+]1CCC([NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000164478348 1121700591 /nfs/dbraw/zinc/70/05/91/1121700591.db2.gz WBZSMEXDJBGOJN-SFHVURJKSA-N 2 1 290.426 3.667 20 0 CHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccoc3)cc2)C1 ZINC000727465578 1121720027 /nfs/dbraw/zinc/72/00/27/1121720027.db2.gz CXBRAVMSPGUIFB-INIZCTEOSA-N 2 1 298.430 3.801 20 0 CHADMP Cc1ccc(F)cc1C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC001177298865 1121720790 /nfs/dbraw/zinc/72/07/90/1121720790.db2.gz HAFJYCIMYJURLA-INIZCTEOSA-N 2 1 292.442 3.878 20 0 CHADMP C[C@@H](C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001177261528 1121721298 /nfs/dbraw/zinc/72/12/98/1121721298.db2.gz FTSBFDANKSSUOV-QZWWFDLISA-N 2 1 280.500 3.911 20 0 CHADMP C[C@@H](C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001177261528 1121721304 /nfs/dbraw/zinc/72/13/04/1121721304.db2.gz FTSBFDANKSSUOV-QZWWFDLISA-N 2 1 280.500 3.911 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001177262563 1121723352 /nfs/dbraw/zinc/72/33/52/1121723352.db2.gz WJMUKXIKALSXRD-BZZMCLGOSA-N 2 1 278.484 3.689 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001177262563 1121723358 /nfs/dbraw/zinc/72/33/58/1121723358.db2.gz WJMUKXIKALSXRD-BZZMCLGOSA-N 2 1 278.484 3.689 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC001177277671 1121723489 /nfs/dbraw/zinc/72/34/89/1121723489.db2.gz MZVXWEYEKOBEAQ-XLAORIBOSA-N 2 1 278.484 3.831 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC001177277671 1121723496 /nfs/dbraw/zinc/72/34/96/1121723496.db2.gz MZVXWEYEKOBEAQ-XLAORIBOSA-N 2 1 278.484 3.831 20 0 CHADMP CCCC[C@H](CC)CC[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000536396497 1121747056 /nfs/dbraw/zinc/74/70/56/1121747056.db2.gz VWDDRTFKIWYKRP-JKSUJKDBSA-N 2 1 266.473 3.667 20 0 CHADMP Cc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1F ZINC001177948058 1121759592 /nfs/dbraw/zinc/75/95/92/1121759592.db2.gz DUGAHSLGIDJCIC-UHFFFAOYSA-N 2 1 290.426 3.631 20 0 CHADMP CCC1CCC([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001178249387 1121772082 /nfs/dbraw/zinc/77/20/82/1121772082.db2.gz OKMDGZFWICSCKP-LXPRWKDFSA-N 2 1 280.500 3.913 20 0 CHADMP CCCC1CCC(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001178916441 1121828920 /nfs/dbraw/zinc/82/89/20/1121828920.db2.gz GUZLFGLZHRNBEA-DAWZGUTISA-N 2 1 280.500 3.914 20 0 CHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001178982800 1121839485 /nfs/dbraw/zinc/83/94/85/1121839485.db2.gz ZWSWXKUBTNMLCG-BCDXTJNWSA-N 2 1 286.463 3.533 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2-c2ccccc2)C1 ZINC000731041703 1121845433 /nfs/dbraw/zinc/84/54/33/1121845433.db2.gz PZSAULKKRSJINE-KRWDZBQOSA-N 2 1 294.442 3.785 20 0 CHADMP CC[N@@H+](Cc1ccc2ccccc2c1)[C@@H]1CCC[NH2+]CC1 ZINC000345181832 1121854556 /nfs/dbraw/zinc/85/45/56/1121854556.db2.gz ROLABSWQMWPHEX-LJQANCHMSA-N 2 1 282.431 3.804 20 0 CHADMP CC[NH+]1CCC(C[N@H+]2CC[C@H]([C@@H]3CCCC3(C)C)C2)CC1 ZINC001206394197 1121904699 /nfs/dbraw/zinc/90/46/99/1121904699.db2.gz ZPSNMMOILOURSK-ROUUACIJSA-N 2 1 292.511 3.867 20 0 CHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC(C)(C)F)CC1 ZINC000631661427 1129019263 /nfs/dbraw/zinc/01/92/63/1129019263.db2.gz IFPHFCOWHCRPIN-UHFFFAOYSA-N 2 1 292.442 3.767 20 0 CHADMP CC[C@H](C)[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000500986164 1121936351 /nfs/dbraw/zinc/93/63/51/1121936351.db2.gz UDJZSXCJRFCCFJ-HNNXBMFYSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@H]([NH2+][C@H]1CCCC12CC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000631666381 1129020175 /nfs/dbraw/zinc/02/01/75/1129020175.db2.gz YARNRCNKTBMJQZ-WDSOQIARSA-N 2 1 298.474 3.819 20 0 CHADMP CC(C)OC[C@H](C)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000501442348 1121978100 /nfs/dbraw/zinc/97/81/00/1121978100.db2.gz IXRADORQMIHSFZ-HOTGVXAUSA-N 2 1 292.467 3.519 20 0 CHADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420299196 1121997922 /nfs/dbraw/zinc/99/79/22/1121997922.db2.gz IFQRJLCWHQGBPR-SJLPKXTDSA-N 2 1 274.452 3.705 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420317139 1122000529 /nfs/dbraw/zinc/00/05/29/1122000529.db2.gz NIPFUVQLBCPSJI-AEFFLSMTSA-N 2 1 272.436 3.522 20 0 CHADMP Cc1ccc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420317141 1122000766 /nfs/dbraw/zinc/00/07/66/1122000766.db2.gz NIPFUVQLBCPSJI-SJLPKXTDSA-N 2 1 272.436 3.522 20 0 CHADMP Cc1cc(C[NH2+][C@H](C[NH3+])C2CCCCC2)c2ccccc2n1 ZINC000420376536 1122004235 /nfs/dbraw/zinc/00/42/35/1122004235.db2.gz VEWXTCPSISICBD-LJQANCHMSA-N 2 1 297.446 3.540 20 0 CHADMP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420378773 1122004993 /nfs/dbraw/zinc/00/49/93/1122004993.db2.gz UOORDZPBVOLOSM-ZIAGYGMSSA-N 2 1 295.496 3.567 20 0 CHADMP CCCCCC[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001237360495 1129027954 /nfs/dbraw/zinc/02/79/54/1129027954.db2.gz ZLCMDVHKEIBBJA-UHFFFAOYSA-N 2 1 272.436 3.661 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](CC)CC1(C)CCCC1 ZINC001181505716 1122060265 /nfs/dbraw/zinc/06/02/65/1122060265.db2.gz IRAXTGXZSREWPH-UHFFFAOYSA-N 2 1 254.462 3.621 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@H]1CCCC[C@H]1C ZINC001181586830 1122063425 /nfs/dbraw/zinc/06/34/25/1122063425.db2.gz DLVUMGCGSTXXLH-NCOADZHNSA-N 2 1 266.473 3.665 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@H]1CCCC[C@H]1C ZINC001181586830 1122063430 /nfs/dbraw/zinc/06/34/30/1122063430.db2.gz DLVUMGCGSTXXLH-NCOADZHNSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000502252488 1122067558 /nfs/dbraw/zinc/06/75/58/1122067558.db2.gz KUALBHLPAWEKLV-AABGKKOBSA-N 2 1 298.474 3.603 20 0 CHADMP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000502252488 1122067563 /nfs/dbraw/zinc/06/75/63/1122067563.db2.gz KUALBHLPAWEKLV-AABGKKOBSA-N 2 1 298.474 3.603 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)c1 ZINC000502286726 1122070239 /nfs/dbraw/zinc/07/02/39/1122070239.db2.gz YLPZJVGARUUXGC-QRVBRYPASA-N 2 1 286.463 3.807 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000502288325 1122072943 /nfs/dbraw/zinc/07/29/43/1122072943.db2.gz QDYYVSMRAPAPHY-TVFCKZIOSA-N 2 1 278.484 3.809 20 0 CHADMP C[C@@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1ccoc1 ZINC000153256099 1129029962 /nfs/dbraw/zinc/02/99/62/1129029962.db2.gz UHYMOYJEYFQVEU-MRXNPFEDSA-N 2 1 298.430 3.637 20 0 CHADMP CC[C@@H]1C[C@]1([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc(C)c1 ZINC000502479156 1122090798 /nfs/dbraw/zinc/09/07/98/1122090798.db2.gz DAPWMWPWFMNSPR-BHIYHBOVSA-N 2 1 286.463 3.694 20 0 CHADMP CC(C)[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(F)cc1 ZINC000502536439 1122101319 /nfs/dbraw/zinc/10/13/19/1122101319.db2.gz WPGNRACAIXHVBO-SJORKVTESA-N 2 1 278.415 3.597 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCCCC1(C)C ZINC001182126832 1122111582 /nfs/dbraw/zinc/11/15/82/1122111582.db2.gz JTWUZYZVAWLALQ-CABCVRRESA-N 2 1 254.462 3.665 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCCCC1(C)C ZINC001182126832 1122111585 /nfs/dbraw/zinc/11/15/85/1122111585.db2.gz JTWUZYZVAWLALQ-CABCVRRESA-N 2 1 254.462 3.665 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C[C@H](CC)c1ccccc1 ZINC001182151855 1122114887 /nfs/dbraw/zinc/11/48/87/1122114887.db2.gz FMRIHTIRYFDGQC-IRXDYDNUSA-N 2 1 276.468 3.890 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C[C@H](CC)c1ccccc1 ZINC001182151855 1122114892 /nfs/dbraw/zinc/11/48/92/1122114892.db2.gz FMRIHTIRYFDGQC-IRXDYDNUSA-N 2 1 276.468 3.890 20 0 CHADMP C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000502868967 1122153234 /nfs/dbraw/zinc/15/32/34/1122153234.db2.gz VITPVNDJBZDSID-RKVPGOIHSA-N 2 1 290.426 3.693 20 0 CHADMP C[C@@H]1C[C@@H](c2ccccc2F)[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000502868967 1122153238 /nfs/dbraw/zinc/15/32/38/1122153238.db2.gz VITPVNDJBZDSID-RKVPGOIHSA-N 2 1 290.426 3.693 20 0 CHADMP C[C@@H]1C[C@@H](c2ccccc2F)[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000502868967 1122153241 /nfs/dbraw/zinc/15/32/41/1122153241.db2.gz VITPVNDJBZDSID-RKVPGOIHSA-N 2 1 290.426 3.693 20 0 CHADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000502924502 1122158011 /nfs/dbraw/zinc/15/80/11/1122158011.db2.gz DSNIMYPYHQKBMV-ROUUACIJSA-N 2 1 290.426 3.837 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000502924502 1122158013 /nfs/dbraw/zinc/15/80/13/1122158013.db2.gz DSNIMYPYHQKBMV-ROUUACIJSA-N 2 1 290.426 3.837 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000502924502 1122158015 /nfs/dbraw/zinc/15/80/15/1122158015.db2.gz DSNIMYPYHQKBMV-ROUUACIJSA-N 2 1 290.426 3.837 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000502924502 1122158017 /nfs/dbraw/zinc/15/80/17/1122158017.db2.gz DSNIMYPYHQKBMV-ROUUACIJSA-N 2 1 290.426 3.837 20 0 CHADMP C(CC1CCCCC1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001183096101 1122205296 /nfs/dbraw/zinc/20/52/96/1122205296.db2.gz ZXNNLUYFCYMJJP-SFHVURJKSA-N 2 1 278.484 3.668 20 0 CHADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205257196 1122209584 /nfs/dbraw/zinc/20/95/84/1122209584.db2.gz TWOCZTAEFKOLDC-WMZOPIPTSA-N 2 1 298.515 3.811 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)c3c2cccc3C)C1 ZINC000504895198 1122309643 /nfs/dbraw/zinc/30/96/43/1122309643.db2.gz RMHDKDKTGVHYFW-LZLYRXPVSA-N 2 1 286.463 3.865 20 0 CHADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(C(C)(C)C)s3)C2)C1 ZINC000430113412 1122406218 /nfs/dbraw/zinc/40/62/18/1122406218.db2.gz KSSIVGIAUITXCS-KRWDZBQOSA-N 2 1 292.492 3.573 20 0 CHADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(C(C)(C)C)s3)C2)C1 ZINC000430113412 1122406223 /nfs/dbraw/zinc/40/62/23/1122406223.db2.gz KSSIVGIAUITXCS-KRWDZBQOSA-N 2 1 292.492 3.573 20 0 CHADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(C(C)(C)C)s3)C2)C1 ZINC000430113412 1122406228 /nfs/dbraw/zinc/40/62/28/1122406228.db2.gz KSSIVGIAUITXCS-KRWDZBQOSA-N 2 1 292.492 3.573 20 0 CHADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(C(C)(C)C)s3)C2)C1 ZINC000430113412 1122406231 /nfs/dbraw/zinc/40/62/31/1122406231.db2.gz KSSIVGIAUITXCS-KRWDZBQOSA-N 2 1 292.492 3.573 20 0 CHADMP CCC(CC)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000435060692 1122432603 /nfs/dbraw/zinc/43/26/03/1122432603.db2.gz MAKUTSNSTUPXFV-UHFFFAOYSA-N 2 1 289.467 3.835 20 0 CHADMP COCC[NH+]1CCC([NH2+][C@H](CCC(C)C)C(C)(C)C)CC1 ZINC000514628644 1122434391 /nfs/dbraw/zinc/43/43/91/1122434391.db2.gz RICUTDKURHSGDQ-QGZVFWFLSA-N 2 1 298.515 3.538 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H](C)c2ccccc2)C1 ZINC000514991473 1122468552 /nfs/dbraw/zinc/46/85/52/1122468552.db2.gz VBSOTMNRXCSQIG-ZWKOTPCHSA-N 2 1 288.479 3.748 20 0 CHADMP C([NH2+]C1CCCCC1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000435752503 1122485594 /nfs/dbraw/zinc/48/55/94/1122485594.db2.gz YJWDFLPRSYTODO-QGZVFWFLSA-N 2 1 264.457 3.706 20 0 CHADMP C[NH2+]CCC[N@H+]1CCCCC[C@@H]1c1cccc(C)c1 ZINC000435872895 1122495133 /nfs/dbraw/zinc/49/51/33/1122495133.db2.gz SFFNQZBXLVMIRM-QGZVFWFLSA-N 2 1 260.425 3.522 20 0 CHADMP C[N@H+](CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1)C1CCCC1 ZINC000436236694 1122527361 /nfs/dbraw/zinc/52/73/61/1122527361.db2.gz BAJIAZQPSJVVEX-ZWKOTPCHSA-N 2 1 286.463 3.787 20 0 CHADMP C[N@@H+](CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1)C1CCCC1 ZINC000436236694 1122527364 /nfs/dbraw/zinc/52/73/64/1122527364.db2.gz BAJIAZQPSJVVEX-ZWKOTPCHSA-N 2 1 286.463 3.787 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000436285498 1122531302 /nfs/dbraw/zinc/53/13/02/1122531302.db2.gz PVZDDYRWWAQGSV-QRQLOZEOSA-N 2 1 286.463 3.644 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1)C1CCC1 ZINC000436297045 1122535575 /nfs/dbraw/zinc/53/55/75/1122535575.db2.gz LWNMMLNLIQAGTG-YOEHRIQHSA-N 2 1 264.457 3.562 20 0 CHADMP CC[C@@](C)([NH2+]CCCCn1cc[nH+]c1C)c1ccccc1 ZINC000775388343 1122539748 /nfs/dbraw/zinc/53/97/48/1122539748.db2.gz PVWXXLPCKUKQAJ-GOSISDBHSA-N 2 1 285.435 3.887 20 0 CHADMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](C)CC(C)(C)C)CC1 ZINC001190731370 1122554155 /nfs/dbraw/zinc/55/41/55/1122554155.db2.gz NHDGKJARZANANH-HNNXBMFYSA-N 2 1 268.489 3.863 20 0 CHADMP CC(C)(CC[N@H+]1CCC[C@@](F)(C[NH3+])CC1)c1ccccc1 ZINC001205545508 1122561333 /nfs/dbraw/zinc/56/13/33/1122561333.db2.gz IGYGPWGRYCFDNO-SFHVURJKSA-N 2 1 292.442 3.507 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638363788 1122622833 /nfs/dbraw/zinc/62/28/33/1122622833.db2.gz YHLLBUYYJZNPMD-VYCZESIESA-N 2 1 284.447 3.600 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638363788 1122622835 /nfs/dbraw/zinc/62/28/35/1122622835.db2.gz YHLLBUYYJZNPMD-VYCZESIESA-N 2 1 284.447 3.600 20 0 CHADMP C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000353202369 1122625632 /nfs/dbraw/zinc/62/56/32/1122625632.db2.gz PDJIYBHLLKSJOF-NJAFHUGGSA-N 2 1 272.436 3.554 20 0 CHADMP C[C@@H]1C[C@@H](c2ccccc2)[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000353202369 1122625634 /nfs/dbraw/zinc/62/56/34/1122625634.db2.gz PDJIYBHLLKSJOF-NJAFHUGGSA-N 2 1 272.436 3.554 20 0 CHADMP C[C@@H]1C[C@@H](c2ccccc2)[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000353202369 1122625637 /nfs/dbraw/zinc/62/56/37/1122625637.db2.gz PDJIYBHLLKSJOF-NJAFHUGGSA-N 2 1 272.436 3.554 20 0 CHADMP CC1=CC[C@H](CC[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)C1(C)C ZINC001205603043 1122651076 /nfs/dbraw/zinc/65/10/76/1122651076.db2.gz NIMLWJBEWGAUKD-DJIMGWMZSA-N 2 1 278.484 3.676 20 0 CHADMP C[C@H](C[NH+]1CCC2(CCC[N@@H+]2C)CC1)CC(C)(C)C ZINC001192536249 1122652111 /nfs/dbraw/zinc/65/21/11/1122652111.db2.gz LPNXUVUQLRTBJA-HNNXBMFYSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@H](C[NH+]1CCC2(CCC[N@H+]2C)CC1)CC(C)(C)C ZINC001192536249 1122652112 /nfs/dbraw/zinc/65/21/12/1122652112.db2.gz LPNXUVUQLRTBJA-HNNXBMFYSA-N 2 1 266.473 3.619 20 0 CHADMP C=C/C=C\CC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC001192908967 1122662264 /nfs/dbraw/zinc/66/22/64/1122662264.db2.gz AVIOEHNERSBBTC-PLNGDYQASA-N 2 1 299.462 3.752 20 0 CHADMP Cc1ccc([C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c2ccccc2)cc1 ZINC000425935906 1122665938 /nfs/dbraw/zinc/66/59/38/1122665938.db2.gz KAJRSHBZHCAHLQ-YLJYHZDGSA-N 2 1 296.458 3.872 20 0 CHADMP Cc1ccc2cc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)oc2c1 ZINC000425939619 1122670915 /nfs/dbraw/zinc/67/09/15/1122670915.db2.gz UOMWORRKBWBMEA-KBPBESRZSA-N 2 1 274.408 3.590 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000438117912 1122676970 /nfs/dbraw/zinc/67/69/70/1122676970.db2.gz WRMGHAZDEPGNCI-JKSUJKDBSA-N 2 1 292.442 3.593 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)c2ccc(F)cc2)C[C@@H]1C ZINC000438103282 1122678474 /nfs/dbraw/zinc/67/84/74/1122678474.db2.gz TZNLOCHQFTTWIN-VKJFTORMSA-N 2 1 292.442 3.734 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)c2ccc(F)cc2)C[C@@H]1C ZINC000438103282 1122678475 /nfs/dbraw/zinc/67/84/75/1122678475.db2.gz TZNLOCHQFTTWIN-VKJFTORMSA-N 2 1 292.442 3.734 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)c2ccc(F)cc2)C[C@@H]1C ZINC000438103282 1122678477 /nfs/dbraw/zinc/67/84/77/1122678477.db2.gz TZNLOCHQFTTWIN-VKJFTORMSA-N 2 1 292.442 3.734 20 0 CHADMP CC[C@@H]1CC[NH+](CCCCC[N@@H+]2CC[C@@H](CC)C2)C1 ZINC000438493114 1122704199 /nfs/dbraw/zinc/70/41/99/1122704199.db2.gz NUGGDFYQHVJNSS-IAGOWNOFSA-N 2 1 266.473 3.621 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000426036822 1122704485 /nfs/dbraw/zinc/70/44/85/1122704485.db2.gz RZPSWIDNKQXFMZ-CLCXKQKWSA-N 2 1 286.463 3.772 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000506314331 1122717950 /nfs/dbraw/zinc/71/79/50/1122717950.db2.gz FCMHJRCORWVHQR-APWZRJJASA-N 2 1 286.463 3.603 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC000506314331 1122717952 /nfs/dbraw/zinc/71/79/52/1122717952.db2.gz FCMHJRCORWVHQR-APWZRJJASA-N 2 1 286.463 3.603 20 0 CHADMP CC(C)c1cccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1 ZINC001205651235 1122727724 /nfs/dbraw/zinc/72/77/24/1122727724.db2.gz BFZIVWSGWCHVKW-QAPCUYQASA-N 2 1 274.452 3.617 20 0 CHADMP Cc1c(F)ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1Cl ZINC001205651581 1122742992 /nfs/dbraw/zinc/74/29/92/1122742992.db2.gz HCORUECXSGVPEV-AAEUAGOBSA-N 2 1 298.833 3.594 20 0 CHADMP Cc1c(C)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)ccc1Cl ZINC001205653979 1122751107 /nfs/dbraw/zinc/75/11/07/1122751107.db2.gz WFZSPKZHXDRFKH-IUODEOHRSA-N 2 1 294.870 3.764 20 0 CHADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2CC2CCC(C)(C)CC2)C1 ZINC000518442077 1122757480 /nfs/dbraw/zinc/75/74/80/1122757480.db2.gz SMNVAWRJPSOVSW-DLBZAZTESA-N 2 1 278.484 3.619 20 0 CHADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CC2CCC(C)(C)CC2)C1 ZINC000518442077 1122757485 /nfs/dbraw/zinc/75/74/85/1122757485.db2.gz SMNVAWRJPSOVSW-DLBZAZTESA-N 2 1 278.484 3.619 20 0 CHADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CC2CCC(C)(C)CC2)C1 ZINC000518442077 1122757490 /nfs/dbraw/zinc/75/74/90/1122757490.db2.gz SMNVAWRJPSOVSW-DLBZAZTESA-N 2 1 278.484 3.619 20 0 CHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CC2CCC(C)(C)CC2)C1 ZINC000518442077 1122757494 /nfs/dbraw/zinc/75/74/94/1122757494.db2.gz SMNVAWRJPSOVSW-DLBZAZTESA-N 2 1 278.484 3.619 20 0 CHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CC2CCC(C)(C)CC2)C1 ZINC000518442077 1122757497 /nfs/dbraw/zinc/75/74/97/1122757497.db2.gz SMNVAWRJPSOVSW-DLBZAZTESA-N 2 1 278.484 3.619 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000439325802 1122772064 /nfs/dbraw/zinc/77/20/64/1122772064.db2.gz UBNDUGKWDFNNBY-VQIMIIECSA-N 2 1 297.446 3.850 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000439325802 1122772066 /nfs/dbraw/zinc/77/20/66/1122772066.db2.gz UBNDUGKWDFNNBY-VQIMIIECSA-N 2 1 297.446 3.850 20 0 CHADMP CC[NH+](CC)CCC[N@@H+]1Cc2cc(C)ccc2CC1(C)C ZINC001194607581 1122786657 /nfs/dbraw/zinc/78/66/57/1122786657.db2.gz JARQLHPKQZREGV-UHFFFAOYSA-N 2 1 288.479 3.864 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1Cc2cc(C)ccc2CC1(C)C ZINC001194607581 1122786662 /nfs/dbraw/zinc/78/66/62/1122786662.db2.gz JARQLHPKQZREGV-UHFFFAOYSA-N 2 1 288.479 3.864 20 0 CHADMP C/C(=C/c1ccccc1)C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000518746309 1122787270 /nfs/dbraw/zinc/78/72/70/1122787270.db2.gz QRQYLQYNVUTWBN-PZSQYBTKSA-N 2 1 298.474 3.754 20 0 CHADMP CC1(C)CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167978118 1122893003 /nfs/dbraw/zinc/89/30/03/1122893003.db2.gz JJJLXMINFIKEDI-CSNJMZFVSA-N 2 1 290.495 3.808 20 0 CHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167981678 1122896632 /nfs/dbraw/zinc/89/66/32/1122896632.db2.gz DXAWVZRGGNWNKI-SSAZZLEASA-N 2 1 276.468 3.655 20 0 CHADMP C[C@@H]1CCC[C@H](C)[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981678 1122896638 /nfs/dbraw/zinc/89/66/38/1122896638.db2.gz DXAWVZRGGNWNKI-SSAZZLEASA-N 2 1 276.468 3.655 20 0 CHADMP C[C@@H]1CCC[C@H](C)[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981678 1122896647 /nfs/dbraw/zinc/89/66/47/1122896647.db2.gz DXAWVZRGGNWNKI-SSAZZLEASA-N 2 1 276.468 3.655 20 0 CHADMP CCCC[N@@H+](CC)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167982079 1122900453 /nfs/dbraw/zinc/90/04/53/1122900453.db2.gz VPDSREDEUCRXKG-SJPCQFCGSA-N 2 1 264.457 3.514 20 0 CHADMP CCCC[NH+](CC)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167982079 1122900456 /nfs/dbraw/zinc/90/04/56/1122900456.db2.gz VPDSREDEUCRXKG-SJPCQFCGSA-N 2 1 264.457 3.514 20 0 CHADMP CCCC[NH+](CC)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167982079 1122900457 /nfs/dbraw/zinc/90/04/57/1122900457.db2.gz VPDSREDEUCRXKG-SJPCQFCGSA-N 2 1 264.457 3.514 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCCCCCC1 ZINC000121476768 1122934318 /nfs/dbraw/zinc/93/43/18/1122934318.db2.gz JZWLKSMHEWEJGC-AWEZNQCLSA-N 2 1 263.429 3.530 20 0 CHADMP FC1(F)CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167984745 1122938816 /nfs/dbraw/zinc/93/88/16/1122938816.db2.gz QMLIDNGLVHQVQM-XYPWUTKMSA-N 2 1 298.421 3.513 20 0 CHADMP FC1(F)CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167984745 1122938818 /nfs/dbraw/zinc/93/88/18/1122938818.db2.gz QMLIDNGLVHQVQM-XYPWUTKMSA-N 2 1 298.421 3.513 20 0 CHADMP FC1(F)CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167984745 1122938821 /nfs/dbraw/zinc/93/88/21/1122938821.db2.gz QMLIDNGLVHQVQM-XYPWUTKMSA-N 2 1 298.421 3.513 20 0 CHADMP CC(C)C[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000427120192 1122945700 /nfs/dbraw/zinc/94/57/00/1122945700.db2.gz AHMZKWRLXVPXNB-GUDVDZBRSA-N 2 1 286.463 3.500 20 0 CHADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000080959172 1122946676 /nfs/dbraw/zinc/94/66/76/1122946676.db2.gz BUJTVEQYOXHOSK-INIZCTEOSA-N 2 1 299.418 3.577 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000507472262 1122957641 /nfs/dbraw/zinc/95/76/41/1122957641.db2.gz QPQYPWYMXOHQJB-YHUYYLMFSA-N 2 1 254.462 3.520 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000507472262 1122957644 /nfs/dbraw/zinc/95/76/44/1122957644.db2.gz QPQYPWYMXOHQJB-YHUYYLMFSA-N 2 1 254.462 3.520 20 0 CHADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)c(C)c2)CC1 ZINC000507623027 1122975001 /nfs/dbraw/zinc/97/50/01/1122975001.db2.gz UKOLCHBFYKAGAQ-UHFFFAOYSA-N 2 1 280.843 3.565 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)c(C)c2)CC1 ZINC000507623027 1122975017 /nfs/dbraw/zinc/97/50/17/1122975017.db2.gz UKOLCHBFYKAGAQ-UHFFFAOYSA-N 2 1 280.843 3.565 20 0 CHADMP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)CC1CCC1 ZINC001198414690 1122990556 /nfs/dbraw/zinc/99/05/56/1122990556.db2.gz ZNYQDPGXTQYHJY-UHFFFAOYSA-N 2 1 286.463 3.904 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+]CC2CCC(C(C)(C)C)CC2)C1 ZINC000129845895 1122993974 /nfs/dbraw/zinc/99/39/74/1122993974.db2.gz YCCDZBPQGOESMA-AQFXKWCLSA-N 2 1 280.500 3.770 20 0 CHADMP C[NH+]1CCC([NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000154732988 1129091983 /nfs/dbraw/zinc/09/19/83/1129091983.db2.gz IMEZPGWMMKVAJB-HNNXBMFYSA-N 2 1 299.245 3.665 20 0 CHADMP C[C@H](CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)CC(C)(C)C ZINC000188035664 1123015158 /nfs/dbraw/zinc/01/51/58/1123015158.db2.gz FEANMLREAKOAAN-OWCLPIDISA-N 2 1 266.473 3.665 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H](CCC(C)C)C2)C1 ZINC001199383677 1123029336 /nfs/dbraw/zinc/02/93/36/1123029336.db2.gz FAWCINZJABSKFA-BBWFWOEESA-N 2 1 266.473 3.523 20 0 CHADMP CC(C)(C)C1CCC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000037408422 1123032219 /nfs/dbraw/zinc/03/22/19/1123032219.db2.gz TWJXJVPBVWADTP-FHERZECASA-N 2 1 278.484 3.665 20 0 CHADMP C[C@H]1CCC[C@@H]([NH2+]CC[N@H+](C)C2CCCCC2)CC1 ZINC001199812102 1123042241 /nfs/dbraw/zinc/04/22/41/1123042241.db2.gz HHFALTPSVQKEPH-JKSUJKDBSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@H]1CCC[C@@H]([NH2+]CC[N@@H+](C)C2CCCCC2)CC1 ZINC001199812102 1123042247 /nfs/dbraw/zinc/04/22/47/1123042247.db2.gz HHFALTPSVQKEPH-JKSUJKDBSA-N 2 1 266.473 3.809 20 0 CHADMP CCC[C@@H](C)[C@H](CC)[NH2+]CCCCn1cc[nH+]c1C ZINC000164660871 1123044855 /nfs/dbraw/zinc/04/48/55/1123044855.db2.gz XWTOMUJICIIBII-ZBFHGGJFSA-N 2 1 265.445 3.776 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000441326150 1123078392 /nfs/dbraw/zinc/07/83/92/1123078392.db2.gz VTQISLCNCUNBLA-LJQANCHMSA-N 2 1 297.446 3.597 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000441326150 1123078396 /nfs/dbraw/zinc/07/83/96/1123078396.db2.gz VTQISLCNCUNBLA-LJQANCHMSA-N 2 1 297.446 3.597 20 0 CHADMP C[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001201416747 1123097503 /nfs/dbraw/zinc/09/75/03/1123097503.db2.gz ATWOKCHHMFABQA-IBGZPJMESA-N 2 1 298.474 3.939 20 0 CHADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976873 1123102953 /nfs/dbraw/zinc/10/29/53/1123102953.db2.gz VOEXIEGPYRTSFP-HYVNUMGLSA-N 2 1 290.426 3.598 20 0 CHADMP CC(C)C[N@@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001201471195 1123114686 /nfs/dbraw/zinc/11/46/86/1123114686.db2.gz QAXHLMZCCWIVJE-FHWLQOOXSA-N 2 1 286.463 3.753 20 0 CHADMP CC(C)C[NH+]1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001201471195 1123114687 /nfs/dbraw/zinc/11/46/87/1123114687.db2.gz QAXHLMZCCWIVJE-FHWLQOOXSA-N 2 1 286.463 3.753 20 0 CHADMP CC(C)C[NH+]1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001201471195 1123114688 /nfs/dbraw/zinc/11/46/88/1123114688.db2.gz QAXHLMZCCWIVJE-FHWLQOOXSA-N 2 1 286.463 3.753 20 0 CHADMP CCC[C@H](C)C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001201543258 1123117262 /nfs/dbraw/zinc/11/72/62/1123117262.db2.gz OKMFQJQLDSTWIH-JYJNAYRXSA-N 2 1 292.492 3.548 20 0 CHADMP CCCC[C@H](CC)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001201565181 1123124938 /nfs/dbraw/zinc/12/49/38/1123124938.db2.gz HKUDEVOYANETBA-INIZCTEOSA-N 2 1 254.462 3.621 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000268784155 1129100444 /nfs/dbraw/zinc/10/04/44/1129100444.db2.gz DJJAYHNJOJHGPI-LLVKDONJSA-N 2 1 297.324 3.561 20 0 CHADMP CCCC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001201722997 1123141124 /nfs/dbraw/zinc/14/11/24/1123141124.db2.gz NUHHPWHTCPSCAG-MOPGFXCFSA-N 2 1 286.463 3.631 20 0 CHADMP CCCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001201722997 1123141125 /nfs/dbraw/zinc/14/11/25/1123141125.db2.gz NUHHPWHTCPSCAG-MOPGFXCFSA-N 2 1 286.463 3.631 20 0 CHADMP CCCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001201722997 1123141127 /nfs/dbraw/zinc/14/11/27/1123141127.db2.gz NUHHPWHTCPSCAG-MOPGFXCFSA-N 2 1 286.463 3.631 20 0 CHADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCCC3(CCC3)C1)C2 ZINC001168002401 1123168403 /nfs/dbraw/zinc/16/84/03/1123168403.db2.gz RAIVSFJGPCPQLV-JWTNVVGKSA-N 2 1 288.479 3.658 20 0 CHADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@@H+]1CCCC3(CCC3)C1)C2 ZINC001168002401 1123168404 /nfs/dbraw/zinc/16/84/04/1123168404.db2.gz RAIVSFJGPCPQLV-JWTNVVGKSA-N 2 1 288.479 3.658 20 0 CHADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@H+]1CCCC3(CCC3)C1)C2 ZINC001168002401 1123168405 /nfs/dbraw/zinc/16/84/05/1123168405.db2.gz RAIVSFJGPCPQLV-JWTNVVGKSA-N 2 1 288.479 3.658 20 0 CHADMP Cc1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1Cl ZINC000507808564 1123215123 /nfs/dbraw/zinc/21/51/23/1123215123.db2.gz BELYIQWQXWBLBG-WBVHZDCISA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1Cl ZINC000507808564 1123215127 /nfs/dbraw/zinc/21/51/27/1123215127.db2.gz BELYIQWQXWBLBG-WBVHZDCISA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1Cl ZINC000507808564 1123215131 /nfs/dbraw/zinc/21/51/31/1123215131.db2.gz BELYIQWQXWBLBG-WBVHZDCISA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1Cl ZINC000507808564 1123215133 /nfs/dbraw/zinc/21/51/33/1123215133.db2.gz BELYIQWQXWBLBG-WBVHZDCISA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1Cl ZINC000507808564 1123215137 /nfs/dbraw/zinc/21/51/37/1123215137.db2.gz BELYIQWQXWBLBG-WBVHZDCISA-N 2 1 292.854 3.565 20 0 CHADMP CCSc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCC2)cc1 ZINC000665247917 1123258019 /nfs/dbraw/zinc/25/80/19/1123258019.db2.gz LRKSDYBIKWPJQN-ZDUSSCGKSA-N 2 1 278.465 3.721 20 0 CHADMP C[C@@H]1C[C@@H](NCc2ccoc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012497 1123293262 /nfs/dbraw/zinc/29/32/62/1123293262.db2.gz AZNOJILNEUDCRN-HGKCTWBKSA-N 2 1 298.430 3.811 20 0 CHADMP CCC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(Cl)cc1 ZINC000665277158 1123307770 /nfs/dbraw/zinc/30/77/70/1123307770.db2.gz VDKFGVXKFPQHRW-DSSZZKGTSA-N 2 1 278.827 3.523 20 0 CHADMP CC(C)(C)C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000665278195 1123308534 /nfs/dbraw/zinc/30/85/34/1123308534.db2.gz XWQPZEWZYDNUTB-HQVVEAJESA-N 2 1 272.436 3.506 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CCC2CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168013755 1123313534 /nfs/dbraw/zinc/31/35/34/1123313534.db2.gz JIKIFQPQTLWNLO-HGKCTWBKSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(C(F)F)CC1 ZINC000442775882 1123336726 /nfs/dbraw/zinc/33/67/26/1123336726.db2.gz CKYZPKKNDZWQTN-HESLUPGFSA-N 2 1 288.426 3.520 20 0 CHADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(C(F)F)CC1 ZINC000442775882 1123336728 /nfs/dbraw/zinc/33/67/28/1123336728.db2.gz CKYZPKKNDZWQTN-HESLUPGFSA-N 2 1 288.426 3.520 20 0 CHADMP Cc1cc(C)c([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1C ZINC000271833410 1129115322 /nfs/dbraw/zinc/11/53/22/1129115322.db2.gz FKOYOCJBLMLOBR-INIZCTEOSA-N 2 1 272.436 3.524 20 0 CHADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc2ccccc21 ZINC000271857174 1129115768 /nfs/dbraw/zinc/11/57/68/1129115768.db2.gz JQFLNKYJWJEOCT-OAHLLOKOSA-N 2 1 280.415 3.752 20 0 CHADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000271858588 1129115873 /nfs/dbraw/zinc/11/58/73/1129115873.db2.gz JUURPMSBXKRBIO-LBPRGKRZSA-N 2 1 298.352 3.618 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccsc1 ZINC000443086649 1123354775 /nfs/dbraw/zinc/35/47/75/1123354775.db2.gz NJUWAAKHODYPFQ-YUELXQCFSA-N 2 1 266.454 3.662 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccsc1 ZINC000443086649 1123354778 /nfs/dbraw/zinc/35/47/78/1123354778.db2.gz NJUWAAKHODYPFQ-YUELXQCFSA-N 2 1 266.454 3.662 20 0 CHADMP C[N@H+](CC[NH2+][C@@H]1CCC12CCCC2)C1CCCCC1 ZINC000474073013 1123411047 /nfs/dbraw/zinc/41/10/47/1123411047.db2.gz MPEFGTAXDQZOJW-MRXNPFEDSA-N 2 1 264.457 3.563 20 0 CHADMP C[N@@H+](CC[NH2+][C@@H]1CCC12CCCC2)C1CCCCC1 ZINC000474073013 1123411049 /nfs/dbraw/zinc/41/10/49/1123411049.db2.gz MPEFGTAXDQZOJW-MRXNPFEDSA-N 2 1 264.457 3.563 20 0 CHADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853239326 1123429041 /nfs/dbraw/zinc/42/90/41/1123429041.db2.gz FMWXQURORSIZPV-PXNSSMCTSA-N 2 1 298.474 3.694 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](C)CCc2ccccc2)C1 ZINC001648959958 1123438976 /nfs/dbraw/zinc/43/89/76/1123438976.db2.gz HDVINWGIQWAXEL-HKUYNNGSSA-N 2 1 288.479 3.577 20 0 CHADMP CC[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC001648959941 1123439009 /nfs/dbraw/zinc/43/90/09/1123439009.db2.gz GEEIIJLOEOLHQE-SJORKVTESA-N 2 1 274.452 3.502 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H](CCC(C)C)C2)C1 ZINC001648960817 1123453488 /nfs/dbraw/zinc/45/34/88/1123453488.db2.gz VYJMXBHPDUMEQV-KURKYZTESA-N 2 1 280.500 3.913 20 0 CHADMP C[C@H]1CC[C@H](C)C1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000776694854 1123456460 /nfs/dbraw/zinc/45/64/60/1123456460.db2.gz SAIOWEJMBSDCQC-HOTGVXAUSA-N 2 1 286.463 3.675 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2C(C)=CCC[C@@H]2C)C1 ZINC000443641378 1123457595 /nfs/dbraw/zinc/45/75/95/1123457595.db2.gz PHFTXZKWDVBWQH-OKZBNKHCSA-N 2 1 278.484 3.643 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2C(C)=CCC[C@H]2C)C[C@H]1C ZINC000443662083 1123464514 /nfs/dbraw/zinc/46/45/14/1123464514.db2.gz UMVRWRKEKCFAIT-ZJPYXAASSA-N 2 1 278.484 3.783 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2C(C)=CCC[C@H]2C)C[C@H]1C ZINC000443662083 1123464516 /nfs/dbraw/zinc/46/45/16/1123464516.db2.gz UMVRWRKEKCFAIT-ZJPYXAASSA-N 2 1 278.484 3.783 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2C(C)=CCC[C@H]2C)C[C@H]1C ZINC000443662083 1123464518 /nfs/dbraw/zinc/46/45/18/1123464518.db2.gz UMVRWRKEKCFAIT-ZJPYXAASSA-N 2 1 278.484 3.783 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@@H+](CC[C@@H](C)CCC=C(C)C)C1 ZINC001205002054 1123490521 /nfs/dbraw/zinc/49/05/21/1123490521.db2.gz YKNBJASSALYUBI-DLBZAZTESA-N 2 1 266.473 3.690 20 0 CHADMP CCC1(CC)CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000474423694 1123526045 /nfs/dbraw/zinc/52/60/45/1123526045.db2.gz AZTMJVHGIRSXDT-GOEBONIOSA-N 2 1 266.473 3.808 20 0 CHADMP CCC1(CC)CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000474423694 1123526049 /nfs/dbraw/zinc/52/60/49/1123526049.db2.gz AZTMJVHGIRSXDT-GOEBONIOSA-N 2 1 266.473 3.808 20 0 CHADMP C[C@H]([NH2+]C[C@H](C1CCCCC1)[NH+](C)C)C1CCSCC1 ZINC000474484464 1123538749 /nfs/dbraw/zinc/53/87/49/1123538749.db2.gz JPVBJUXGUUGONT-WMLDXEAASA-N 2 1 298.540 3.618 20 0 CHADMP C[C@H]1CC([NH+]2CCCCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039178 1123559852 /nfs/dbraw/zinc/55/98/52/1123559852.db2.gz BRDJALROAXHPOR-IRXDYDNUSA-N 2 1 286.463 3.914 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]CC2=CCCCC2)C[C@H]1c1ccccc1 ZINC000453250865 1123563389 /nfs/dbraw/zinc/56/33/89/1123563389.db2.gz MXPDZPSULSTJKO-MOPGFXCFSA-N 2 1 284.447 3.912 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CC2=CCCCC2)C[C@H]1c1ccccc1 ZINC000453250865 1123563390 /nfs/dbraw/zinc/56/33/90/1123563390.db2.gz MXPDZPSULSTJKO-MOPGFXCFSA-N 2 1 284.447 3.912 20 0 CHADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000474706726 1123573917 /nfs/dbraw/zinc/57/39/17/1123573917.db2.gz HSRRHJFCBNHWDM-ARFHVFGLSA-N 2 1 292.467 3.507 20 0 CHADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000474706726 1123573919 /nfs/dbraw/zinc/57/39/19/1123573919.db2.gz HSRRHJFCBNHWDM-ARFHVFGLSA-N 2 1 292.467 3.507 20 0 CHADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000474710303 1123575129 /nfs/dbraw/zinc/57/51/29/1123575129.db2.gz IVPZWGCTLWWHRW-RCCFBDPRSA-N 2 1 280.500 3.911 20 0 CHADMP CC(C)C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000474824345 1123595145 /nfs/dbraw/zinc/59/51/45/1123595145.db2.gz ZFSICHNTKAWOCQ-QRQLOZEOSA-N 2 1 288.479 3.889 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1OC ZINC000858095139 1123631057 /nfs/dbraw/zinc/63/10/57/1123631057.db2.gz LUXXPHAJHPKTCI-HOCLYGCPSA-N 2 1 290.451 3.609 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1OC ZINC000858095139 1123631059 /nfs/dbraw/zinc/63/10/59/1123631059.db2.gz LUXXPHAJHPKTCI-HOCLYGCPSA-N 2 1 290.451 3.609 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(C)c(C)c(C)c(C)c2C)C1 ZINC001205009280 1123647176 /nfs/dbraw/zinc/64/71/76/1123647176.db2.gz MEYFBRFUHIIYMF-GOSISDBHSA-N 2 1 288.479 3.660 20 0 CHADMP CCC[C@H](C)CCC[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000858406287 1123651076 /nfs/dbraw/zinc/65/10/76/1123651076.db2.gz HCXXSBRSNAEFCW-GJZGRUSLSA-N 2 1 265.445 3.547 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CCCCCCc2ccccc2)CC[N@H+]1C ZINC000858460717 1123656245 /nfs/dbraw/zinc/65/62/45/1123656245.db2.gz CVMPCGMHRUMHBF-IEBWSBKVSA-N 2 1 288.479 3.862 20 0 CHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000346192237 1123671511 /nfs/dbraw/zinc/67/15/11/1123671511.db2.gz DSHWTSQGLJXZOB-GJZGRUSLSA-N 2 1 298.434 3.586 20 0 CHADMP Cc1nccn1CC[N@H+]1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000346309458 1123679710 /nfs/dbraw/zinc/67/97/10/1123679710.db2.gz LZWOUMGARWWOBP-SFHVURJKSA-N 2 1 283.419 3.645 20 0 CHADMP CC[C@H](Cc1ccccc1)[N@H+](CC)CCn1cc[nH+]c1C ZINC000346328836 1123681446 /nfs/dbraw/zinc/68/14/46/1123681446.db2.gz QTYVWVLOKKFBEE-GOSISDBHSA-N 2 1 285.435 3.535 20 0 CHADMP CC[C@H](Cc1ccccc1)[N@@H+](CC)CCn1cc[nH+]c1C ZINC000346328836 1123681449 /nfs/dbraw/zinc/68/14/49/1123681449.db2.gz QTYVWVLOKKFBEE-GOSISDBHSA-N 2 1 285.435 3.535 20 0 CHADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000346694000 1123706666 /nfs/dbraw/zinc/70/66/66/1123706666.db2.gz RBFYYLJRRZIMIO-HIFRSBDPSA-N 2 1 286.444 3.584 20 0 CHADMP Cc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1Cl ZINC000443980241 1123715640 /nfs/dbraw/zinc/71/56/40/1123715640.db2.gz PYXYVNKMIAAWAW-UHFFFAOYSA-N 2 1 292.854 3.755 20 0 CHADMP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000158226500 1129141252 /nfs/dbraw/zinc/14/12/52/1129141252.db2.gz HQIQIMJLEZFMLA-RTBURBONSA-N 2 1 288.479 3.575 20 0 CHADMP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000346984139 1123739556 /nfs/dbraw/zinc/73/95/56/1123739556.db2.gz OIFIQGZLXMZKBB-ZIAGYGMSSA-N 2 1 295.496 3.567 20 0 CHADMP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000346984139 1123739560 /nfs/dbraw/zinc/73/95/60/1123739560.db2.gz OIFIQGZLXMZKBB-ZIAGYGMSSA-N 2 1 295.496 3.567 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3)cc2F)CC[C@H]1[NH3+] ZINC000347004056 1123742842 /nfs/dbraw/zinc/74/28/42/1123742842.db2.gz NEQTXBIDISMRTH-AUUYWEPGSA-N 2 1 298.405 3.662 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)cc2F)CC[C@H]1[NH3+] ZINC000347004056 1123742844 /nfs/dbraw/zinc/74/28/44/1123742844.db2.gz NEQTXBIDISMRTH-AUUYWEPGSA-N 2 1 298.405 3.662 20 0 CHADMP CC(C)([NH3+])C[N@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000469871319 1123797859 /nfs/dbraw/zinc/79/78/59/1123797859.db2.gz RDENTOFHJIZCOQ-UHFFFAOYSA-N 2 1 268.404 3.542 20 0 CHADMP CC(C)([NH3+])C[N@@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000469871319 1123797862 /nfs/dbraw/zinc/79/78/62/1123797862.db2.gz RDENTOFHJIZCOQ-UHFFFAOYSA-N 2 1 268.404 3.542 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CC[C@@H](C)c2ccccc2)C1 ZINC000043534255 1123820474 /nfs/dbraw/zinc/82/04/74/1123820474.db2.gz RBZPSXXIIVDTMZ-IAGOWNOFSA-N 2 1 274.452 3.500 20 0 CHADMP C[C@@H]1C[C@@H](N2CC3CC(C3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168059676 1123824344 /nfs/dbraw/zinc/82/43/44/1123824344.db2.gz VAOGRSKBRXBPBX-MQMXLAGYSA-N 2 1 298.474 3.770 20 0 CHADMP C[C@@H]1C[C@@H]([NH+]2CC3CC(C3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168059676 1123824355 /nfs/dbraw/zinc/82/43/55/1123824355.db2.gz VAOGRSKBRXBPBX-MQMXLAGYSA-N 2 1 298.474 3.770 20 0 CHADMP CC(C)[C@H](C[N@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000475218630 1123825113 /nfs/dbraw/zinc/82/51/13/1123825113.db2.gz ZERBOVYNGZOLCF-OALUTQOASA-N 2 1 288.479 3.842 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000475352432 1123847644 /nfs/dbraw/zinc/84/76/44/1123847644.db2.gz NTTXWFWFFDOJAJ-NJAFHUGGSA-N 2 1 274.452 3.643 20 0 CHADMP CCc1c(C)[nH+]c2ccccc2c1NC[C@H]1CCC[N@@H+](C)C1 ZINC000302031909 1123950471 /nfs/dbraw/zinc/95/04/71/1123950471.db2.gz KHJWLYCINHVOMP-OAHLLOKOSA-N 2 1 297.446 3.859 20 0 CHADMP CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccccn1 ZINC000159015019 1129157063 /nfs/dbraw/zinc/15/70/63/1129157063.db2.gz IKRRGAVOXHJJRS-IRXDYDNUSA-N 2 1 289.467 3.633 20 0 CHADMP CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccn1 ZINC000159015019 1129157065 /nfs/dbraw/zinc/15/70/65/1129157065.db2.gz IKRRGAVOXHJJRS-IRXDYDNUSA-N 2 1 289.467 3.633 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(C2CCC2)cc1 ZINC000631564346 1124001063 /nfs/dbraw/zinc/00/10/63/1124001063.db2.gz KCGKDYJQQMTVLH-CQSZACIVSA-N 2 1 272.436 3.699 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(OC(C)(C)C)CC2)CC1(C)C ZINC000865698125 1124005581 /nfs/dbraw/zinc/00/55/81/1124005581.db2.gz ISYUOACFELGFNS-PCKAHOCUSA-N 2 1 296.499 3.575 20 0 CHADMP Cc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1Cl ZINC000475566945 1124013921 /nfs/dbraw/zinc/01/39/21/1124013921.db2.gz PUGMFDBZOULSNI-UHFFFAOYSA-N 2 1 292.854 3.755 20 0 CHADMP CC(C)(C)C1=CC[N@H+](CCC[NH+]2CCCCC2)CC1 ZINC000444608296 1124045929 /nfs/dbraw/zinc/04/59/29/1124045929.db2.gz KXWSDNNDFHJSBF-UHFFFAOYSA-N 2 1 264.457 3.541 20 0 CHADMP CC(C)(C)C1=CC[N@@H+](CCC[NH+]2CCCCC2)CC1 ZINC000444608296 1124045933 /nfs/dbraw/zinc/04/59/33/1124045933.db2.gz KXWSDNNDFHJSBF-UHFFFAOYSA-N 2 1 264.457 3.541 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccc(F)c(C)c1 ZINC000444731095 1124055974 /nfs/dbraw/zinc/05/59/74/1124055974.db2.gz GGUFIXMYJFJYQQ-UHFFFAOYSA-N 2 1 289.398 3.551 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccc(F)c(C)c1 ZINC000444731095 1124055976 /nfs/dbraw/zinc/05/59/76/1124055976.db2.gz GGUFIXMYJFJYQQ-UHFFFAOYSA-N 2 1 289.398 3.551 20 0 CHADMP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000445354716 1124080731 /nfs/dbraw/zinc/08/07/31/1124080731.db2.gz TXBFXRGKMXNPPJ-IAGOWNOFSA-N 2 1 298.474 3.654 20 0 CHADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CC[C@](C)(c4ccccc4)C3)CC[C@H]21 ZINC000866586005 1124084726 /nfs/dbraw/zinc/08/47/26/1124084726.db2.gz ZBZASONKHPLYNT-AFYVEPGGSA-N 2 1 298.474 3.523 20 0 CHADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CC[C@](C)(c4ccccc4)C3)CC[C@H]21 ZINC000866586005 1124084730 /nfs/dbraw/zinc/08/47/30/1124084730.db2.gz ZBZASONKHPLYNT-AFYVEPGGSA-N 2 1 298.474 3.523 20 0 CHADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CC[C@](C)(c4ccccc4)C3)CC[C@H]21 ZINC000866586005 1124084735 /nfs/dbraw/zinc/08/47/35/1124084735.db2.gz ZBZASONKHPLYNT-AFYVEPGGSA-N 2 1 298.474 3.523 20 0 CHADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)CC[C@@H]21 ZINC000866586007 1124085521 /nfs/dbraw/zinc/08/55/21/1124085521.db2.gz ZBZASONKHPLYNT-RSPOEFSDSA-N 2 1 298.474 3.523 20 0 CHADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)CC[C@@H]21 ZINC000866586007 1124085524 /nfs/dbraw/zinc/08/55/24/1124085524.db2.gz ZBZASONKHPLYNT-RSPOEFSDSA-N 2 1 298.474 3.523 20 0 CHADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)CC[C@@H]21 ZINC000866586007 1124085528 /nfs/dbraw/zinc/08/55/28/1124085528.db2.gz ZBZASONKHPLYNT-RSPOEFSDSA-N 2 1 298.474 3.523 20 0 CHADMP C1CC1[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3CCCC[C@@H]23)CC1 ZINC000714267185 1124088019 /nfs/dbraw/zinc/08/80/19/1124088019.db2.gz IYWPYOHDWIFMFF-BMGDILEWSA-N 2 1 276.468 3.562 20 0 CHADMP C1CC1[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000714267188 1124088074 /nfs/dbraw/zinc/08/80/74/1124088074.db2.gz IYWPYOHDWIFMFF-ZTFGCOKTSA-N 2 1 276.468 3.562 20 0 CHADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@H]2c2ccccc2)CC[NH2+]1 ZINC000414728181 1129178788 /nfs/dbraw/zinc/17/87/88/1129178788.db2.gz CGTMRCJHKHQJDS-NUJGCVRESA-N 2 1 272.436 3.602 20 0 CHADMP CC(C)CCC[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000525870244 1124476847 /nfs/dbraw/zinc/47/68/47/1124476847.db2.gz SELUFZBZVXDIEV-LJQANCHMSA-N 2 1 288.479 3.577 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c(C)o1 ZINC000447585612 1124492119 /nfs/dbraw/zinc/49/21/19/1124492119.db2.gz KWHDNIULRPRXMP-NVXWUHKLSA-N 2 1 292.467 3.915 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c(C)o1 ZINC000447585612 1124492123 /nfs/dbraw/zinc/49/21/23/1124492123.db2.gz KWHDNIULRPRXMP-NVXWUHKLSA-N 2 1 292.467 3.915 20 0 CHADMP CCc1ccccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000526084397 1124504561 /nfs/dbraw/zinc/50/45/61/1124504561.db2.gz LRVMXFVJLHDBNG-IBGZPJMESA-N 2 1 286.463 3.699 20 0 CHADMP CC[C@H](C[NH2+]CC[C@@H](C)c1ccccc1)[NH+]1CCCC1 ZINC000447820440 1124527726 /nfs/dbraw/zinc/52/77/26/1124527726.db2.gz GYFBVLLIXNEUPL-SJLPKXTDSA-N 2 1 274.452 3.644 20 0 CHADMP CCCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCC1 ZINC001119969861 1131268731 /nfs/dbraw/zinc/26/87/31/1131268731.db2.gz KOTWLJQPRYAOMX-HMQMGEFJSA-N 2 1 264.457 3.560 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3ccoc32)C[C@@H]1C ZINC000449033238 1124636672 /nfs/dbraw/zinc/63/66/72/1124636672.db2.gz ZEIGBMOSWUASOA-WMLDXEAASA-N 2 1 286.419 3.737 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3ccoc32)C[C@@H]1C ZINC000449033238 1124636678 /nfs/dbraw/zinc/63/66/78/1124636678.db2.gz ZEIGBMOSWUASOA-WMLDXEAASA-N 2 1 286.419 3.737 20 0 CHADMP C[NH+]1CCC([NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449060071 1124640687 /nfs/dbraw/zinc/64/06/87/1124640687.db2.gz DNIJULHSSLBGMB-YOEHRIQHSA-N 2 1 292.854 3.660 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCC12CCCCC2 ZINC000449089215 1124649409 /nfs/dbraw/zinc/64/94/09/1124649409.db2.gz KDZZUCWLEKLWNG-INIZCTEOSA-N 2 1 275.440 3.674 20 0 CHADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c2ccccc21 ZINC000873273534 1124759729 /nfs/dbraw/zinc/75/97/29/1124759729.db2.gz HYMUESMBOUVFOX-TUVASFSCSA-N 2 1 296.336 3.618 20 0 CHADMP CCCC1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000449560291 1124803331 /nfs/dbraw/zinc/80/33/31/1124803331.db2.gz IYYVHELXDCUZJF-CSRJKQTDSA-N 2 1 278.484 3.808 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H](C)C1CCCCC1 ZINC000449560918 1124803434 /nfs/dbraw/zinc/80/34/34/1124803434.db2.gz QUQNCNYQXXBBLB-ODLRDIKDSA-N 2 1 278.484 3.806 20 0 CHADMP CC(C)[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H]1C ZINC000449561269 1124803650 /nfs/dbraw/zinc/80/36/50/1124803650.db2.gz UCDBNUCVUCEQFT-HMQBUONMSA-N 2 1 278.484 3.662 20 0 CHADMP CC1(C)CCC[N@@H+]1CC[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000449783756 1124870006 /nfs/dbraw/zinc/87/00/06/1124870006.db2.gz RNVQAOTWOKJDHO-UHFFFAOYSA-N 2 1 290.426 3.536 20 0 CHADMP CC1(C)CCC[N@H+]1CC[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000449783756 1124870016 /nfs/dbraw/zinc/87/00/16/1124870016.db2.gz RNVQAOTWOKJDHO-UHFFFAOYSA-N 2 1 290.426 3.536 20 0 CHADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000449783606 1124870841 /nfs/dbraw/zinc/87/08/41/1124870841.db2.gz QIULHRYVTUTKLH-QWHCGFSZSA-N 2 1 292.389 3.572 20 0 CHADMP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000449783606 1124870850 /nfs/dbraw/zinc/87/08/50/1124870850.db2.gz QIULHRYVTUTKLH-QWHCGFSZSA-N 2 1 292.389 3.572 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000450448761 1125031199 /nfs/dbraw/zinc/03/11/99/1125031199.db2.gz DGWNEDYJPJJYQR-INIZCTEOSA-N 2 1 294.870 3.546 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000450448762 1125031278 /nfs/dbraw/zinc/03/12/78/1125031278.db2.gz DGWNEDYJPJJYQR-MRXNPFEDSA-N 2 1 294.870 3.546 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CC/C=C\c2ccccc2)[C@H](C)C1 ZINC000450562145 1125057444 /nfs/dbraw/zinc/05/74/44/1125057444.db2.gz HVUAHAMKEFELLG-DOMOKVQJSA-N 2 1 286.463 3.752 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CC/C=C\c2ccccc2)[C@H](C)C1 ZINC000450562145 1125057452 /nfs/dbraw/zinc/05/74/52/1125057452.db2.gz HVUAHAMKEFELLG-DOMOKVQJSA-N 2 1 286.463 3.752 20 0 CHADMP CC(C)(C)C1CCC([NH2+]C[C@@]2(F)CCCC[NH2+]C2)CC1 ZINC001246110189 1131330017 /nfs/dbraw/zinc/33/00/17/1131330017.db2.gz HNXOIRZANJNHRH-VMBOVVBDSA-N 2 1 284.463 3.663 20 0 CHADMP CCC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000121409964 1125119671 /nfs/dbraw/zinc/11/96/71/1125119671.db2.gz FCBUEUBSCAEHPY-MAUKXSAKSA-N 2 1 285.435 3.959 20 0 CHADMP C(C1CC2(CCC2)C1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000878120420 1125122320 /nfs/dbraw/zinc/12/23/20/1125122320.db2.gz IHMKOQPNDQAMFV-QGZVFWFLSA-N 2 1 276.468 3.517 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)s1 ZINC000121523967 1125131754 /nfs/dbraw/zinc/13/17/54/1125131754.db2.gz PKEMNZNIXICJJS-OLZOCXBDSA-N 2 1 291.464 3.802 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)s1 ZINC000121524103 1125131910 /nfs/dbraw/zinc/13/19/10/1125131910.db2.gz PKEMNZNIXICJJS-QWHCGFSZSA-N 2 1 291.464 3.802 20 0 CHADMP C(C1CC2(CCC2)C1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000878286353 1125138107 /nfs/dbraw/zinc/13/81/07/1125138107.db2.gz NKHLBRVLIYQEJW-WMZOPIPTSA-N 2 1 288.479 3.515 20 0 CHADMP C(C1CC2(CCC2)C1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000878286353 1125138110 /nfs/dbraw/zinc/13/81/10/1125138110.db2.gz NKHLBRVLIYQEJW-WMZOPIPTSA-N 2 1 288.479 3.515 20 0 CHADMP C(C1CC2(CCC2)C1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000878286353 1125138114 /nfs/dbraw/zinc/13/81/14/1125138114.db2.gz NKHLBRVLIYQEJW-WMZOPIPTSA-N 2 1 288.479 3.515 20 0 CHADMP CCCCc1ccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000392271532 1125143772 /nfs/dbraw/zinc/14/37/72/1125143772.db2.gz LYMXWDNRRCRFKP-MRXNPFEDSA-N 2 1 286.463 3.942 20 0 CHADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCc1c[nH+]cn1C)CCC2 ZINC000530407398 1125151383 /nfs/dbraw/zinc/15/13/83/1125151383.db2.gz FNCGRUOXJAUYEW-IBGZPJMESA-N 2 1 297.446 3.753 20 0 CHADMP CC(C)[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000530469503 1125156527 /nfs/dbraw/zinc/15/65/27/1125156527.db2.gz GHHTZGYRBINPQQ-IEBWSBKVSA-N 2 1 286.463 3.533 20 0 CHADMP C=C/C=C/CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000878527340 1125159191 /nfs/dbraw/zinc/15/91/91/1125159191.db2.gz ANGAIZILLWMJNL-ONEGZZNKSA-N 2 1 285.435 3.531 20 0 CHADMP CCCC[N@H+](C)CC1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000127624525 1125206508 /nfs/dbraw/zinc/20/65/08/1125206508.db2.gz PJVGRTMCCMTYEH-UVTDQMKNSA-N 2 1 293.282 3.749 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000127624525 1125206513 /nfs/dbraw/zinc/20/65/13/1125206513.db2.gz PJVGRTMCCMTYEH-UVTDQMKNSA-N 2 1 293.282 3.749 20 0 CHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccoc1 ZINC000532233401 1125243185 /nfs/dbraw/zinc/24/31/85/1125243185.db2.gz VTWZFRNLCIAHIM-HLLBOEOZSA-N 2 1 278.440 3.831 20 0 CHADMP CCC1([NH+]2CCCCC2)CC[NH+](CCCOC(C)C)CC1 ZINC000880257091 1125260973 /nfs/dbraw/zinc/26/09/73/1125260973.db2.gz SIBIAUMOZBGAJH-UHFFFAOYSA-N 2 1 296.499 3.532 20 0 CHADMP CC[C@H](CCC(F)(F)F)[NH2+]C[C@H](CC)[NH+]1CCCC1 ZINC000872020875 1125263228 /nfs/dbraw/zinc/26/32/28/1125263228.db2.gz KUNWKCFIBFSODA-OLZOCXBDSA-N 2 1 280.378 3.572 20 0 CHADMP CCC[C@@H]1CCCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000179520402 1125285572 /nfs/dbraw/zinc/28/55/72/1125285572.db2.gz ZJXLQPJTIIFRMG-MRXNPFEDSA-N 2 1 263.429 3.626 20 0 CHADMP CCC[C@@H]1CCCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000179520402 1125285568 /nfs/dbraw/zinc/28/55/68/1125285568.db2.gz ZJXLQPJTIIFRMG-MRXNPFEDSA-N 2 1 263.429 3.626 20 0 CHADMP Cc1csc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC001137160325 1125291352 /nfs/dbraw/zinc/29/13/52/1125291352.db2.gz VPIRKDMBOYWIOH-UHFFFAOYSA-N 2 1 278.465 3.507 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]1C ZINC000321947461 1125335425 /nfs/dbraw/zinc/33/54/25/1125335425.db2.gz WEXKFINNXZLEHZ-BVBHFADKSA-N 2 1 286.463 3.533 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1C[C@@H]1C ZINC000398170816 1125336191 /nfs/dbraw/zinc/33/61/91/1125336191.db2.gz UQFSIZFYQZZUJF-CFRSGVNKSA-N 2 1 286.463 3.531 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1C[C@@H]1C ZINC000398170816 1125336194 /nfs/dbraw/zinc/33/61/94/1125336194.db2.gz UQFSIZFYQZZUJF-CFRSGVNKSA-N 2 1 286.463 3.531 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cccc(Cl)c2)C1 ZINC000060978647 1125362470 /nfs/dbraw/zinc/36/24/70/1125362470.db2.gz SGSQTZPOTJJWFB-GASCZTMLSA-N 2 1 294.870 3.798 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cccc(Cl)c2)C1 ZINC000060978647 1125362473 /nfs/dbraw/zinc/36/24/73/1125362473.db2.gz SGSQTZPOTJJWFB-GASCZTMLSA-N 2 1 294.870 3.798 20 0 CHADMP C[C@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000309686794 1125380101 /nfs/dbraw/zinc/38/01/01/1125380101.db2.gz BWKFLLFNWCHLHN-AEFFLSMTSA-N 2 1 288.479 3.780 20 0 CHADMP CCSc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883236352 1125381857 /nfs/dbraw/zinc/38/18/57/1125381857.db2.gz ZQCOVWOABLSBPS-HOTGVXAUSA-N 2 1 290.476 3.515 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(C(C)C)cc2)[C@@H](C)C1 ZINC000532441847 1125386459 /nfs/dbraw/zinc/38/64/59/1125386459.db2.gz BZMRTWAUFAWQJS-QFBILLFUSA-N 2 1 288.479 3.672 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCC(C(C)(C)C)CC2)C1 ZINC000040620942 1125388892 /nfs/dbraw/zinc/38/88/92/1125388892.db2.gz GLDYCLXTOZNOIF-GTPINHCMSA-N 2 1 280.500 3.911 20 0 CHADMP C=C/C=C/CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000883268977 1125389301 /nfs/dbraw/zinc/38/93/01/1125389301.db2.gz XOHDGSNVULNHCS-APMHOXPUSA-N 2 1 296.458 3.904 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000044533461 1125394633 /nfs/dbraw/zinc/39/46/33/1125394633.db2.gz HFUQTPLLILSZJE-NFOMZHRRSA-N 2 1 292.854 3.517 20 0 CHADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000230992945 1125395913 /nfs/dbraw/zinc/39/59/13/1125395913.db2.gz VCHCKMSSNSFOMP-GVDBMIGSSA-N 2 1 266.473 3.521 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)s1 ZINC000132056288 1125414011 /nfs/dbraw/zinc/41/40/11/1125414011.db2.gz OAEWESSSOOHQJH-CQDKDKBSSA-N 2 1 272.417 3.852 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](c2ccc(F)cc2)C(C)C)CC1 ZINC000035016485 1125422455 /nfs/dbraw/zinc/42/24/55/1125422455.db2.gz PGSPRCVUYYKNCR-QGZVFWFLSA-N 2 1 278.415 3.597 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000124255404 1125435775 /nfs/dbraw/zinc/43/57/75/1125435775.db2.gz JLFDCQDWGFJYBS-QGZVFWFLSA-N 2 1 299.462 3.843 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000124255404 1125435778 /nfs/dbraw/zinc/43/57/78/1125435778.db2.gz JLFDCQDWGFJYBS-QGZVFWFLSA-N 2 1 299.462 3.843 20 0 CHADMP Cc1nccn1CCC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000124862777 1125442976 /nfs/dbraw/zinc/44/29/76/1125442976.db2.gz YGTPNJOXYYWHIQ-ZDUSSCGKSA-N 2 1 291.826 3.928 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000124862777 1125442980 /nfs/dbraw/zinc/44/29/80/1125442980.db2.gz YGTPNJOXYYWHIQ-ZDUSSCGKSA-N 2 1 291.826 3.928 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000124862777 1125442985 /nfs/dbraw/zinc/44/29/85/1125442985.db2.gz YGTPNJOXYYWHIQ-ZDUSSCGKSA-N 2 1 291.826 3.928 20 0 CHADMP Cc1nccn1CCC[N@@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000124908007 1125443065 /nfs/dbraw/zinc/44/30/65/1125443065.db2.gz FLDASUCPZRKWKQ-MRXNPFEDSA-N 2 1 297.446 3.882 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000124908007 1125443068 /nfs/dbraw/zinc/44/30/68/1125443068.db2.gz FLDASUCPZRKWKQ-MRXNPFEDSA-N 2 1 297.446 3.882 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000124908007 1125443070 /nfs/dbraw/zinc/44/30/70/1125443070.db2.gz FLDASUCPZRKWKQ-MRXNPFEDSA-N 2 1 297.446 3.882 20 0 CHADMP C[C@H](CSC(C)(C)C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000126604511 1125455473 /nfs/dbraw/zinc/45/54/73/1125455473.db2.gz VNQBENKOOLGFNT-FFHGMXDLSA-N 2 1 284.513 3.512 20 0 CHADMP C[C@H](CSC(C)(C)C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000126604511 1125455477 /nfs/dbraw/zinc/45/54/77/1125455477.db2.gz VNQBENKOOLGFNT-FFHGMXDLSA-N 2 1 284.513 3.512 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(C)C ZINC000165322376 1129215382 /nfs/dbraw/zinc/21/53/82/1129215382.db2.gz KPPGEGUESRUZFD-MOPGFXCFSA-N 2 1 288.479 3.575 20 0 CHADMP CCSc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000165379749 1129216307 /nfs/dbraw/zinc/21/63/07/1129216307.db2.gz XLNWJCIKHAXCTA-YCPHGPKFSA-N 2 1 292.492 3.932 20 0 CHADMP Cc1cc(C)c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC000295876243 1129219317 /nfs/dbraw/zinc/21/93/17/1129219317.db2.gz GQFVXIQCNAINIE-OOKSDGMUSA-N 2 1 286.463 3.888 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccc3ncccc23)CC1 ZINC000637888396 1129234842 /nfs/dbraw/zinc/23/48/42/1129234842.db2.gz HWXJOMVHEXBOJO-UHFFFAOYSA-N 2 1 297.446 3.539 20 0 CHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@]2(C)C[C@@H]2c2ccccc2)CC[NH+]1C ZINC000638117255 1129243858 /nfs/dbraw/zinc/24/38/58/1129243858.db2.gz PVKMAZQGPZLNCH-NXWXRZEISA-N 2 1 286.463 3.595 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)C[C@@]2(C)C[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000638117255 1129243852 /nfs/dbraw/zinc/24/38/52/1129243852.db2.gz PVKMAZQGPZLNCH-NXWXRZEISA-N 2 1 286.463 3.595 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)C[C@@]2(C)C[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000638117255 1129243854 /nfs/dbraw/zinc/24/38/54/1129243854.db2.gz PVKMAZQGPZLNCH-NXWXRZEISA-N 2 1 286.463 3.595 20 0 CHADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@]2(C)C[C@@H]2c2ccccc2)CC[NH+]1C ZINC000638117255 1129243856 /nfs/dbraw/zinc/24/38/56/1129243856.db2.gz PVKMAZQGPZLNCH-NXWXRZEISA-N 2 1 286.463 3.595 20 0 CHADMP CC1CC([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638726527 1129267767 /nfs/dbraw/zinc/26/77/67/1129267767.db2.gz RHBQZMRCTUMODI-BVSRCJTMSA-N 2 1 284.447 3.743 20 0 CHADMP CC1CC([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638726527 1129267771 /nfs/dbraw/zinc/26/77/71/1129267771.db2.gz RHBQZMRCTUMODI-BVSRCJTMSA-N 2 1 284.447 3.743 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639166101 1129288084 /nfs/dbraw/zinc/28/80/84/1129288084.db2.gz DIZPKDWELSQAKB-SKWUIDRYSA-N 2 1 284.447 3.743 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639166101 1129288087 /nfs/dbraw/zinc/28/80/87/1129288087.db2.gz DIZPKDWELSQAKB-SKWUIDRYSA-N 2 1 284.447 3.743 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000639169621 1129288141 /nfs/dbraw/zinc/28/81/41/1129288141.db2.gz HNBAIEGKSPSBSN-YHUYYLMFSA-N 2 1 292.492 3.560 20 0 CHADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3[C@@H]4CCC[C@@H]43)CC[N@H+]2C2CC2)cc1 ZINC000639326341 1129302628 /nfs/dbraw/zinc/30/26/28/1129302628.db2.gz ZEHHQIPUQMJOEU-LFZDHENXSA-N 2 1 296.458 3.743 20 0 CHADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3[C@@H]4CCC[C@@H]43)CC[N@@H+]2C2CC2)cc1 ZINC000639326341 1129302630 /nfs/dbraw/zinc/30/26/30/1129302630.db2.gz ZEHHQIPUQMJOEU-LFZDHENXSA-N 2 1 296.458 3.743 20 0 CHADMP Cc1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)s1 ZINC000639375166 1129308016 /nfs/dbraw/zinc/30/80/16/1129308016.db2.gz QWEWEGGJLFBGRG-UHFFFAOYSA-N 2 1 278.465 3.507 20 0 CHADMP CCCCC(CCCC)[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001258389379 1129321889 /nfs/dbraw/zinc/32/18/89/1129321889.db2.gz TTYXBVDPSZJEDC-IYBDPMFKSA-N 2 1 266.473 3.619 20 0 CHADMP CCCCC(CCCC)[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001258389379 1129321893 /nfs/dbraw/zinc/32/18/93/1129321893.db2.gz TTYXBVDPSZJEDC-IYBDPMFKSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757623 1129332143 /nfs/dbraw/zinc/33/21/43/1129332143.db2.gz JUQNUTWFYPKZQT-CQSZACIVSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CC[NH2+]C1CC1 ZINC000643507673 1129443571 /nfs/dbraw/zinc/44/35/71/1129443571.db2.gz MHUPTZQZSGAEKL-CQSZACIVSA-N 2 1 299.462 3.566 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1nccc2ccccc21 ZINC000643547963 1129445522 /nfs/dbraw/zinc/44/55/22/1129445522.db2.gz LHCLTMJPUORXDW-HOCLYGCPSA-N 2 1 295.430 3.560 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]CCC2CCCC2)C[C@H]1c1ccccc1 ZINC000645384092 1129496056 /nfs/dbraw/zinc/49/60/56/1129496056.db2.gz JUWQDGYPJCGHMO-MOPGFXCFSA-N 2 1 286.463 3.992 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CCC2CCCC2)C[C@H]1c1ccccc1 ZINC000645384092 1129496057 /nfs/dbraw/zinc/49/60/57/1129496057.db2.gz JUWQDGYPJCGHMO-MOPGFXCFSA-N 2 1 286.463 3.992 20 0 CHADMP C[C@@H]1C[C@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)CC(C)(C)C1 ZINC001258702424 1129528184 /nfs/dbraw/zinc/52/81/84/1129528184.db2.gz YHGNLRAFISAIFR-CVEARBPZSA-N 2 1 278.484 3.619 20 0 CHADMP CCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647166411 1129553855 /nfs/dbraw/zinc/55/38/55/1129553855.db2.gz LUKIUCBFQDYJMI-SJLPKXTDSA-N 2 1 286.463 3.962 20 0 CHADMP CCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647166411 1129553856 /nfs/dbraw/zinc/55/38/56/1129553856.db2.gz LUKIUCBFQDYJMI-SJLPKXTDSA-N 2 1 286.463 3.962 20 0 CHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCCC3CC3)CC23CC3)cc1 ZINC000647184658 1129555004 /nfs/dbraw/zinc/55/50/04/1129555004.db2.gz WEQSWPQLSZQZMG-IBGZPJMESA-N 2 1 298.474 3.963 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCCC3CC3)CC23CC3)cc1 ZINC000647184658 1129555006 /nfs/dbraw/zinc/55/50/06/1129555006.db2.gz WEQSWPQLSZQZMG-IBGZPJMESA-N 2 1 298.474 3.963 20 0 CHADMP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)CC(F)F ZINC000647225362 1129558571 /nfs/dbraw/zinc/55/85/71/1129558571.db2.gz BHAIQSXEDGFVAY-CQSZACIVSA-N 2 1 296.405 3.532 20 0 CHADMP Cc1cccc(C2([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)c1 ZINC000647236866 1129559697 /nfs/dbraw/zinc/55/96/97/1129559697.db2.gz PHGSTFILFCBIST-ZWKOTPCHSA-N 2 1 284.447 3.591 20 0 CHADMP CC(C)CC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647343523 1129572072 /nfs/dbraw/zinc/57/20/72/1129572072.db2.gz UWPAFCFRAUATLG-UHOSZYNNSA-N 2 1 288.479 3.746 20 0 CHADMP CC[C@H](C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000647479779 1129578763 /nfs/dbraw/zinc/57/87/63/1129578763.db2.gz ULQTXXFKYAFNSR-BHIYHBOVSA-N 2 1 286.463 3.644 20 0 CHADMP CC(C)c1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647482993 1129578869 /nfs/dbraw/zinc/57/88/69/1129578869.db2.gz PYOZXIYYROQLBC-UHFFFAOYSA-N 2 1 272.436 3.526 20 0 CHADMP CC[C@H]1C[N@H+](Cc2c(Cl)oc3ccccc32)CC[C@@H]1[NH3+] ZINC000647498841 1129580114 /nfs/dbraw/zinc/58/01/14/1129580114.db2.gz RWDSETYMBYYAEV-FZMZJTMJSA-N 2 1 292.810 3.645 20 0 CHADMP CC[C@H]1C[N@@H+](Cc2c(Cl)oc3ccccc32)CC[C@@H]1[NH3+] ZINC000647498841 1129580117 /nfs/dbraw/zinc/58/01/17/1129580117.db2.gz RWDSETYMBYYAEV-FZMZJTMJSA-N 2 1 292.810 3.645 20 0 CHADMP Clc1ccsc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543552 1129581150 /nfs/dbraw/zinc/58/11/50/1129581150.db2.gz PESWSYCDRSRJNB-STQMWFEESA-N 2 1 298.883 3.613 20 0 CHADMP Clc1cscc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544373 1129581267 /nfs/dbraw/zinc/58/12/67/1129581267.db2.gz ZOOAHPGAYKYUHG-OLZOCXBDSA-N 2 1 298.883 3.613 20 0 CHADMP c1ccc2cc(CC[N@@H+](C3CC3)C3CC[NH2+]CC3)ccc2c1 ZINC000647815033 1129585503 /nfs/dbraw/zinc/58/55/03/1129585503.db2.gz MGKQWBPILCKFLN-UHFFFAOYSA-N 2 1 294.442 3.599 20 0 CHADMP CC[C@@H](c1ccccc1)[N@@H+](CC(C)C)C[C@H]1CC[NH2+]C1 ZINC000647884876 1129586780 /nfs/dbraw/zinc/58/67/80/1129586780.db2.gz CIASHRVMHJOPBL-WMZOPIPTSA-N 2 1 274.452 3.705 20 0 CHADMP CC[N@@H+](CCCC1CC[NH2+]CC1)[C@@H](C)c1cccc(O)c1 ZINC000647880386 1129587324 /nfs/dbraw/zinc/58/73/24/1129587324.db2.gz SIYNNVOLHCMVEC-HNNXBMFYSA-N 2 1 290.451 3.555 20 0 CHADMP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925768 1129588237 /nfs/dbraw/zinc/58/82/37/1129588237.db2.gz WUCBAWHCGVMWID-CQSZACIVSA-N 2 1 266.816 3.604 20 0 CHADMP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978794 1129590799 /nfs/dbraw/zinc/59/07/99/1129590799.db2.gz YGCKONZNBRMLQL-OIISXLGYSA-N 2 1 290.426 3.598 20 0 CHADMP Cc1nc(C)c([C@H](C)[N@@H+](C)CCCC2CC[NH2+]CC2)s1 ZINC000649412948 1129644774 /nfs/dbraw/zinc/64/47/74/1129644774.db2.gz FVMVLARKPYZSPJ-ZDUSSCGKSA-N 2 1 295.496 3.533 20 0 CHADMP CCCc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)s1 ZINC001205995372 1129681643 /nfs/dbraw/zinc/68/16/43/1129681643.db2.gz NWYXZGVDRLCKAJ-ZIAGYGMSSA-N 2 1 280.481 3.507 20 0 CHADMP CCC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001169098875 1129696311 /nfs/dbraw/zinc/69/63/11/1129696311.db2.gz LXDGQVIVYCZIGQ-XMTFNYHQSA-N 2 1 272.436 3.743 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCC(c3ccccc3)CC1)C2 ZINC001169094520 1129696697 /nfs/dbraw/zinc/69/66/97/1129696697.db2.gz MCNLSOSCQXBROW-DAKUTMNPSA-N 2 1 298.474 3.928 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCC1CCCCCC1)C2 ZINC001169097841 1129696757 /nfs/dbraw/zinc/69/67/57/1129696757.db2.gz CLJCORQZFCPORY-BJWYYQGGSA-N 2 1 264.457 3.562 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCc3c1cccc3Cl)C2 ZINC001169100136 1129697151 /nfs/dbraw/zinc/69/71/51/1129697151.db2.gz HESVUGODWKXFLR-LKQDWFRTSA-N 2 1 290.838 3.542 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCc3c1cccc3Cl)C2 ZINC001169100134 1129697167 /nfs/dbraw/zinc/69/71/67/1129697167.db2.gz HESVUGODWKXFLR-JRATXPSKSA-N 2 1 290.838 3.542 20 0 CHADMP CSc1ccc([C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169119543 1129699822 /nfs/dbraw/zinc/69/98/22/1129699822.db2.gz UBJRETPBQGWAQV-HNKHHVNMSA-N 2 1 290.476 3.684 20 0 CHADMP CC(C)c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169092252 1129700078 /nfs/dbraw/zinc/70/00/78/1129700078.db2.gz AUFLQUJGVKIOKG-BCDXTJNWSA-N 2 1 272.436 3.525 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](CC1CC1)c1ccccc1)C2 ZINC001169116325 1129700097 /nfs/dbraw/zinc/70/00/97/1129700097.db2.gz PXQNNQZVWLOROW-OKYOBFRVSA-N 2 1 284.447 3.743 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169147168 1129704252 /nfs/dbraw/zinc/70/42/52/1129704252.db2.gz SWPRZCMKHLBVHJ-SJWGOKEGSA-N 2 1 292.854 3.958 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169147168 1129704253 /nfs/dbraw/zinc/70/42/53/1129704253.db2.gz SWPRZCMKHLBVHJ-SJWGOKEGSA-N 2 1 292.854 3.958 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169147168 1129704254 /nfs/dbraw/zinc/70/42/54/1129704254.db2.gz SWPRZCMKHLBVHJ-SJWGOKEGSA-N 2 1 292.854 3.958 20 0 CHADMP Cc1ccccc1CC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169115624 1129704354 /nfs/dbraw/zinc/70/43/54/1129704354.db2.gz LRKPQXNWGLWFTC-LDLYASANSA-N 2 1 298.474 3.533 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169147179 1129704382 /nfs/dbraw/zinc/70/43/82/1129704382.db2.gz SWPRZCMKHLBVHJ-VDNDLQMASA-N 2 1 292.854 3.958 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169147179 1129704383 /nfs/dbraw/zinc/70/43/83/1129704383.db2.gz SWPRZCMKHLBVHJ-VDNDLQMASA-N 2 1 292.854 3.958 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169147179 1129704385 /nfs/dbraw/zinc/70/43/85/1129704385.db2.gz SWPRZCMKHLBVHJ-VDNDLQMASA-N 2 1 292.854 3.958 20 0 CHADMP Cc1cc([NH2+][C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)ccc1N ZINC001169152853 1129705165 /nfs/dbraw/zinc/70/51/65/1129705165.db2.gz RCWKEDIBUVTPFE-PBHICJAKSA-N 2 1 275.440 3.533 20 0 CHADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccccc1C ZINC001169233517 1129711216 /nfs/dbraw/zinc/71/12/16/1129711216.db2.gz SAAHSKBWAKDCOA-QGZVFWFLSA-N 2 1 260.425 3.520 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001169266626 1129712127 /nfs/dbraw/zinc/71/21/27/1129712127.db2.gz ZCKKTETXLXYJSO-QGZVFWFLSA-N 2 1 260.425 3.554 20 0 CHADMP CC[C@H](c1ccccc1)[N@H+](C)C1CC[NH+](CC)CC1 ZINC001169266626 1129712126 /nfs/dbraw/zinc/71/21/26/1129712126.db2.gz ZCKKTETXLXYJSO-QGZVFWFLSA-N 2 1 260.425 3.554 20 0 CHADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1csc(Cl)c1 ZINC000650754051 1129721839 /nfs/dbraw/zinc/72/18/39/1129721839.db2.gz AAGSNLQWTOSIAD-SECBINFHSA-N 2 1 298.814 3.850 20 0 CHADMP Cc1cc([NH+]2CCCCC2)ccc1NCC[C@H]1CCC[NH2+]1 ZINC001169569413 1129738349 /nfs/dbraw/zinc/73/83/49/1129738349.db2.gz PDWXMWLQWMDDQN-MRXNPFEDSA-N 2 1 287.451 3.539 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CCN1C ZINC000651725761 1129745234 /nfs/dbraw/zinc/74/52/34/1129745234.db2.gz NZEHJKGIUZHQLR-QKCSRTOESA-N 2 1 296.817 3.539 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2(C3CCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000651984176 1129755518 /nfs/dbraw/zinc/75/55/18/1129755518.db2.gz VYFYDRYXCSTKDV-VQIMIIECSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2(C3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000651984176 1129755522 /nfs/dbraw/zinc/75/55/22/1129755522.db2.gz VYFYDRYXCSTKDV-VQIMIIECSA-N 2 1 298.474 3.962 20 0 CHADMP CC(C)C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000652151429 1129758468 /nfs/dbraw/zinc/75/84/68/1129758468.db2.gz SLWSAVXHLGMNOW-MAUKXSAKSA-N 2 1 292.442 3.844 20 0 CHADMP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001258789114 1129759183 /nfs/dbraw/zinc/75/91/83/1129759183.db2.gz VWRDCMHZEQLDQE-LUKYLMHMSA-N 2 1 268.489 3.910 20 0 CHADMP Cc1cc2ccccc2c(NCC[C@H]2CCC[N@H+](C)C2)[nH+]1 ZINC001156389039 1129761047 /nfs/dbraw/zinc/76/10/47/1129761047.db2.gz MCXISQIZINUNHJ-OAHLLOKOSA-N 2 1 283.419 3.687 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206025688 1129766620 /nfs/dbraw/zinc/76/66/20/1129766620.db2.gz PAWFAPDDRMYLTQ-LSDHHAIUSA-N 2 1 294.870 3.764 20 0 CHADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCCCC1 ZINC000886322331 1129814666 /nfs/dbraw/zinc/81/46/66/1129814666.db2.gz YLFTZAXIXHZBOF-CQSZACIVSA-N 2 1 284.513 3.515 20 0 CHADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccccc2F)cc1 ZINC000768173449 1129838673 /nfs/dbraw/zinc/83/86/73/1129838673.db2.gz VPQBXSGHCJZBGN-UHFFFAOYSA-N 2 1 286.394 3.519 20 0 CHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccccc2F)cc1 ZINC000768173449 1129838678 /nfs/dbraw/zinc/83/86/78/1129838678.db2.gz VPQBXSGHCJZBGN-UHFFFAOYSA-N 2 1 286.394 3.519 20 0 CHADMP Cc1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000768173809 1129839159 /nfs/dbraw/zinc/83/91/59/1129839159.db2.gz WCGJMFOPRHVAQB-UHFFFAOYSA-N 2 1 282.431 3.689 20 0 CHADMP CC[C@H](C[NH2+]CC[N@@H+]1CCCC1(C)C)c1ccccc1 ZINC001202789377 1129842426 /nfs/dbraw/zinc/84/24/26/1129842426.db2.gz FEXQYDKSLAQIQN-MRXNPFEDSA-N 2 1 274.452 3.644 20 0 CHADMP CC[C@H](C[NH2+]CC[N@H+]1CCCC1(C)C)c1ccccc1 ZINC001202789377 1129842433 /nfs/dbraw/zinc/84/24/33/1129842433.db2.gz FEXQYDKSLAQIQN-MRXNPFEDSA-N 2 1 274.452 3.644 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@](C)(F)CC1 ZINC001258907074 1129844879 /nfs/dbraw/zinc/84/48/79/1129844879.db2.gz FEAODRZKTVZHSH-CVEARBPZSA-N 2 1 272.452 3.711 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[C@@H]1C ZINC000903055823 1130106101 /nfs/dbraw/zinc/10/61/01/1130106101.db2.gz MGNIUHYUTWHKFO-APNXOTQPSA-N 2 1 276.468 3.559 20 0 CHADMP c1ccc(CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903058942 1130106661 /nfs/dbraw/zinc/10/66/61/1130106661.db2.gz KYJWVCHKKZLIRX-CTXDPNEZSA-N 2 1 298.474 3.757 20 0 CHADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903084115 1130109694 /nfs/dbraw/zinc/10/96/94/1130109694.db2.gz VQVLIQUXFPLBFP-ZCTYVAAUSA-N 2 1 284.447 3.885 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[C@@H](C)C1 ZINC000903097332 1130111232 /nfs/dbraw/zinc/11/12/32/1130111232.db2.gz QYGWVZNBKNXRGL-YETUKKHOSA-N 2 1 276.468 3.559 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[C@H](C)C1 ZINC000903097329 1130111440 /nfs/dbraw/zinc/11/14/40/1130111440.db2.gz QYGWVZNBKNXRGL-APNXOTQPSA-N 2 1 276.468 3.559 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CCCCC1 ZINC000903100143 1130112284 /nfs/dbraw/zinc/11/22/84/1130112284.db2.gz QLSJVQHQLSUFQT-PNFOFYCQSA-N 2 1 276.468 3.703 20 0 CHADMP CCC(CC)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)SC ZINC000903102694 1130112366 /nfs/dbraw/zinc/11/23/66/1130112366.db2.gz AVRXICUMKIBHCZ-VHRNVKJDSA-N 2 1 296.524 3.656 20 0 CHADMP CC(C)CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903127541 1130116399 /nfs/dbraw/zinc/11/63/99/1130116399.db2.gz ZAKGKSODVMSWHL-ZXFUBFMLSA-N 2 1 276.468 3.560 20 0 CHADMP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(C)(C)C ZINC000903177731 1130125240 /nfs/dbraw/zinc/12/52/40/1130125240.db2.gz AQHNHNVBATWBHQ-YQAQFAQXSA-N 2 1 278.484 3.949 20 0 CHADMP CC(C)(C)[C@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903189698 1130127236 /nfs/dbraw/zinc/12/72/36/1130127236.db2.gz GOUQPXNTPCZVQJ-LLPGRJKPSA-N 2 1 290.495 3.949 20 0 CHADMP CCN1CCC([N@@H+](C)[C@H](C)CCCC(C)C)CC1 ZINC001170082170 1130175256 /nfs/dbraw/zinc/17/52/56/1130175256.db2.gz JHYMTOQKUCSDQC-OAHLLOKOSA-N 2 1 254.462 3.617 20 0 CHADMP CC[NH+]1CCC([N@H+](C)[C@H](C)CCCC(C)C)CC1 ZINC001170082170 1130175257 /nfs/dbraw/zinc/17/52/57/1130175257.db2.gz JHYMTOQKUCSDQC-OAHLLOKOSA-N 2 1 254.462 3.617 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)[C@H](C)CCCC(C)C)CC1 ZINC001170082170 1130175258 /nfs/dbraw/zinc/17/52/58/1130175258.db2.gz JHYMTOQKUCSDQC-OAHLLOKOSA-N 2 1 254.462 3.617 20 0 CHADMP Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000788482444 1130192588 /nfs/dbraw/zinc/19/25/88/1130192588.db2.gz WKBSFXIREYNBOI-AEFFLSMTSA-N 2 1 286.463 3.515 20 0 CHADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CCCCC(F)(F)F)CCC1 ZINC000903811492 1130200646 /nfs/dbraw/zinc/20/06/46/1130200646.db2.gz KYODMNVXXWAPIZ-ZDUSSCGKSA-N 2 1 292.389 3.703 20 0 CHADMP CC(C)CCC[C@@H](C)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001170088573 1130204345 /nfs/dbraw/zinc/20/43/45/1130204345.db2.gz VTQWEHYXPHJRMJ-OAHLLOKOSA-N 2 1 266.473 3.760 20 0 CHADMP Cc1cc(N(C)C)[nH+]cc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC001240060456 1130206699 /nfs/dbraw/zinc/20/66/99/1130206699.db2.gz WVWOFJZBBSVWOH-UHFFFAOYSA-N 2 1 295.430 3.719 20 0 CHADMP CC[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](C)Cc1ccsc1 ZINC000903913936 1130210862 /nfs/dbraw/zinc/21/08/62/1130210862.db2.gz GBGSOHNDUQLDPR-LNRIEFBSSA-N 2 1 292.492 3.532 20 0 CHADMP c1[nH+]cn2cc(C3=CCC[N@H+](Cc4ccccc4)C3)ccc12 ZINC001240386526 1130287331 /nfs/dbraw/zinc/28/73/31/1130287331.db2.gz BDSKVJGLPRKMFR-UHFFFAOYSA-N 2 1 289.382 3.624 20 0 CHADMP CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677238009 1130297470 /nfs/dbraw/zinc/29/74/70/1130297470.db2.gz URMJXYIWZRGOQB-QZWWFDLISA-N 2 1 264.457 3.562 20 0 CHADMP c1ccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C2CCC2)cc1 ZINC000677242386 1130297730 /nfs/dbraw/zinc/29/77/30/1130297730.db2.gz ZQCXVNPGQPAENM-FHWLQOOXSA-N 2 1 284.447 3.744 20 0 CHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]([C@@H]4CC[C@@H](C)C4)C[C@@H]3C2)cc1 ZINC001170138527 1130317428 /nfs/dbraw/zinc/31/74/28/1130317428.db2.gz QRTYMXDAYLSHDY-RSPOEFSDSA-N 2 1 298.474 3.547 20 0 CHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]([C@@H]4CC[C@@H](C)C4)C[C@@H]3C2)cc1 ZINC001170138527 1130317435 /nfs/dbraw/zinc/31/74/35/1130317435.db2.gz QRTYMXDAYLSHDY-RSPOEFSDSA-N 2 1 298.474 3.547 20 0 CHADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]([C@@H]4CC[C@@H](C)C4)C[C@@H]3C2)cc1 ZINC001170138527 1130317442 /nfs/dbraw/zinc/31/74/42/1130317442.db2.gz QRTYMXDAYLSHDY-RSPOEFSDSA-N 2 1 298.474 3.547 20 0 CHADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@@H]4CC[C@@H](C)C4)C[C@@H]3C2)cc1 ZINC001170138527 1130317447 /nfs/dbraw/zinc/31/74/47/1130317447.db2.gz QRTYMXDAYLSHDY-RSPOEFSDSA-N 2 1 298.474 3.547 20 0 CHADMP c1ccc(C[N@H+]2Cc3ccc(C4=CCC[NH2+]C4)cc3C2)cc1 ZINC001240670759 1130412405 /nfs/dbraw/zinc/41/24/05/1130412405.db2.gz MSFDUIPJNRHHEM-UHFFFAOYSA-N 2 1 290.410 3.579 20 0 CHADMP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000678609520 1130442013 /nfs/dbraw/zinc/44/20/13/1130442013.db2.gz PAZLEKOLQZSPLU-NOCIGQNYSA-N 2 1 284.447 3.526 20 0 CHADMP CCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000678733862 1130448299 /nfs/dbraw/zinc/44/82/99/1130448299.db2.gz YTIXAYJPBBEWGB-NVXWUHKLSA-N 2 1 290.451 3.610 20 0 CHADMP CCOc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000678733863 1130448607 /nfs/dbraw/zinc/44/86/07/1130448607.db2.gz YTIXAYJPBBEWGB-RDJZCZTQSA-N 2 1 290.451 3.610 20 0 CHADMP CCCC[N@@H+](C)CCC[NH2+][C@@H](C)Cc1ccccc1Cl ZINC001170250651 1130473807 /nfs/dbraw/zinc/47/38/07/1130473807.db2.gz QLZXRVVWZRRBIR-HNNXBMFYSA-N 2 1 296.886 3.983 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234992209 1130700604 /nfs/dbraw/zinc/70/06/04/1130700604.db2.gz JWEANHIOUSJMIK-LIMHQNJXSA-N 2 1 264.457 3.589 20 0 CHADMP CC/C=C\CCCCCC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235016849 1130702901 /nfs/dbraw/zinc/70/29/01/1130702901.db2.gz IXMLKLAHHGDAIX-OPCNFVSTSA-N 2 1 264.457 3.587 20 0 CHADMP c1cc2c(cccc2C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)o1 ZINC001235040163 1130704134 /nfs/dbraw/zinc/70/41/34/1130704134.db2.gz QRJAKJGVPVTEBR-GOSISDBHSA-N 2 1 284.403 3.541 20 0 CHADMP c1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c2c(c1)CCCC2 ZINC001235039066 1130705686 /nfs/dbraw/zinc/70/56/86/1130705686.db2.gz MUGKRIBPSYOCKW-FQEVSTJZSA-N 2 1 298.474 3.674 20 0 CHADMP CCCc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1 ZINC001235048480 1130706123 /nfs/dbraw/zinc/70/61/23/1130706123.db2.gz YGLIZOCQESRFLI-LJQANCHMSA-N 2 1 286.463 3.747 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235091835 1130709887 /nfs/dbraw/zinc/70/98/87/1130709887.db2.gz DCDFNJCCIRIRTF-KRWDZBQOSA-N 2 1 278.484 3.835 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235092266 1130710098 /nfs/dbraw/zinc/71/00/98/1130710098.db2.gz KCTWFDRJTSYGSF-UHFFFAOYSA-N 2 1 294.442 3.724 20 0 CHADMP Cc1ccc(C[N@H+]2CCCC23CC[NH2+]CC3)c(C)c1Cl ZINC001235146088 1130714993 /nfs/dbraw/zinc/71/49/93/1130714993.db2.gz ZFKGCZMAEYTZHD-UHFFFAOYSA-N 2 1 292.854 3.675 20 0 CHADMP c1cc2ccc(C[N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)cc2[nH]1 ZINC001235152600 1130715021 /nfs/dbraw/zinc/71/50/21/1130715021.db2.gz HKTUCJOPZWLMCJ-LJQANCHMSA-N 2 1 297.446 3.522 20 0 CHADMP c1c2ccccc2oc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235156550 1130716072 /nfs/dbraw/zinc/71/60/72/1130716072.db2.gz QQSNJXGHAIHZPM-SFHVURJKSA-N 2 1 298.430 3.787 20 0 CHADMP Cc1cc(C)c(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)c(C)c1 ZINC001235175492 1130717027 /nfs/dbraw/zinc/71/70/27/1130717027.db2.gz WPXXZKVOXBQGML-LJQANCHMSA-N 2 1 286.463 3.720 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)c(C)c1 ZINC001235175492 1130717033 /nfs/dbraw/zinc/71/70/33/1130717033.db2.gz WPXXZKVOXBQGML-LJQANCHMSA-N 2 1 286.463 3.720 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235173376 1130717573 /nfs/dbraw/zinc/71/75/73/1130717573.db2.gz UAGCSHJMOXUQIE-FXAWDEMLSA-N 2 1 292.426 3.585 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235173376 1130717579 /nfs/dbraw/zinc/71/75/79/1130717579.db2.gz UAGCSHJMOXUQIE-FXAWDEMLSA-N 2 1 292.426 3.585 20 0 CHADMP CC(C)=CCCC1=CC[C@@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC001235235721 1130726046 /nfs/dbraw/zinc/72/60/46/1130726046.db2.gz QRJIGPPPZLRPOK-QRVBRYPASA-N 2 1 288.479 3.896 20 0 CHADMP CC(C)=CCCC1=CC[C@@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC001235235721 1130726050 /nfs/dbraw/zinc/72/60/50/1130726050.db2.gz QRJIGPPPZLRPOK-QRVBRYPASA-N 2 1 288.479 3.896 20 0 CHADMP c1csc(-c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2)c1 ZINC001235264729 1130729765 /nfs/dbraw/zinc/72/97/65/1130729765.db2.gz ARTXYZHMOQTARL-IRXDYDNUSA-N 2 1 298.455 3.599 20 0 CHADMP c1cc(C2CC2)ccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235427167 1130741944 /nfs/dbraw/zinc/74/19/44/1130741944.db2.gz NCGPYPKKZOEQKD-VQTJNVASSA-N 2 1 298.474 3.776 20 0 CHADMP c1ccc(C2CC2)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235423684 1130742461 /nfs/dbraw/zinc/74/24/61/1130742461.db2.gz GIJFURSBNYMXGW-MSOLQXFVSA-N 2 1 298.474 3.776 20 0 CHADMP CC(C)c1ccc(C[C@@H](C)C[N@@H+](C)C2CC[NH2+]CC2)cc1 ZINC001235472327 1130747948 /nfs/dbraw/zinc/74/79/48/1130747948.db2.gz JADWSABXSOTVHG-MRXNPFEDSA-N 2 1 288.479 3.672 20 0 CHADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000782183125 1130758553 /nfs/dbraw/zinc/75/85/53/1130758553.db2.gz IABHZQJVZXCRLI-CQSZACIVSA-N 2 1 294.870 3.545 20 0 CHADMP C[N@@H+](Cc1cccc2ccccc21)CC1(C)CC[NH2+]CC1 ZINC001235662074 1130762710 /nfs/dbraw/zinc/76/27/10/1130762710.db2.gz CVMKQMJDTCHDJZ-UHFFFAOYSA-N 2 1 282.431 3.661 20 0 CHADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC001235672846 1130763718 /nfs/dbraw/zinc/76/37/18/1130763718.db2.gz IOGXCQBDFKJLAE-FUHWJXTLSA-N 2 1 288.479 3.659 20 0 CHADMP c1csc([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]C3)c1 ZINC001235672893 1130765065 /nfs/dbraw/zinc/76/50/65/1130765065.db2.gz ALHXETIWTYDGNS-MRXNPFEDSA-N 2 1 284.428 3.688 20 0 CHADMP Clc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC001235674126 1130765529 /nfs/dbraw/zinc/76/55/29/1130765529.db2.gz MPVPYHZQZGFBDJ-WMLDXEAASA-N 2 1 292.854 3.867 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(C[NH3+])c2)cc1 ZINC001235677074 1130765857 /nfs/dbraw/zinc/76/58/57/1130765857.db2.gz FNFONPQTOTZOPT-IBGZPJMESA-N 2 1 280.415 3.791 20 0 CHADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001235677021 1130766418 /nfs/dbraw/zinc/76/64/18/1130766418.db2.gz WFDCXYUNNYMUKV-HNNXBMFYSA-N 2 1 298.405 3.663 20 0 CHADMP C[N@@H+](Cc1ccc(C[NH3+])cc1)C12CC3CC(CC(C3)C1)C2 ZINC001235690128 1130770286 /nfs/dbraw/zinc/77/02/86/1130770286.db2.gz KRZSKZZBGJGRBT-UHFFFAOYSA-N 2 1 284.447 3.546 20 0 CHADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2F)cc1 ZINC001235718779 1130774345 /nfs/dbraw/zinc/77/43/45/1130774345.db2.gz NNRVQZLOAWQDMY-GOSISDBHSA-N 2 1 284.378 3.622 20 0 CHADMP CC1([NH3+])CC[NH+](Cc2ccc(-c3cccs3)s2)CC1 ZINC001235748256 1130775964 /nfs/dbraw/zinc/77/59/64/1130775964.db2.gz JSGITBPUTNCOHJ-UHFFFAOYSA-N 2 1 292.473 3.790 20 0 CHADMP C[C@@H]1CC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000693748654 1130777079 /nfs/dbraw/zinc/77/70/79/1130777079.db2.gz BAJRRIADTFRPLI-NZSAHSFTSA-N 2 1 298.474 3.677 20 0 CHADMP C[N@H+](CCCCC[NH3+])Cc1c(Cl)cccc1Cl ZINC001235791805 1130780323 /nfs/dbraw/zinc/78/03/23/1130780323.db2.gz UFBVCKSCYPLPAH-UHFFFAOYSA-N 2 1 275.223 3.554 20 0 CHADMP C[N@@H+](CCCCC[NH3+])Cc1c(Cl)cccc1Cl ZINC001235791805 1130780328 /nfs/dbraw/zinc/78/03/28/1130780328.db2.gz UFBVCKSCYPLPAH-UHFFFAOYSA-N 2 1 275.223 3.554 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000813790560 1130785067 /nfs/dbraw/zinc/78/50/67/1130785067.db2.gz QXWVAAOPVXRHIZ-MIJOPJBOSA-N 2 1 298.474 3.960 20 0 CHADMP C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CC=C(CCC=C(C)C)CC2)C1 ZINC001235828236 1130785170 /nfs/dbraw/zinc/78/51/70/1130785170.db2.gz ADQQCQMTMKXTKZ-QZTJIDSGSA-N 2 1 276.468 3.753 20 0 CHADMP C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CC=C(CCC=C(C)C)CC2)C1 ZINC001235828236 1130785173 /nfs/dbraw/zinc/78/51/73/1130785173.db2.gz ADQQCQMTMKXTKZ-QZTJIDSGSA-N 2 1 276.468 3.753 20 0 CHADMP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC001235892473 1130795026 /nfs/dbraw/zinc/79/50/26/1130795026.db2.gz RITUMEBVEZIIJZ-HNAYVOBHSA-N 2 1 280.415 3.665 20 0 CHADMP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC001235892473 1130795032 /nfs/dbraw/zinc/79/50/32/1130795032.db2.gz RITUMEBVEZIIJZ-HNAYVOBHSA-N 2 1 280.415 3.665 20 0 CHADMP CC1(C)[C@@H]2C[C@@H]([NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001170715381 1130796329 /nfs/dbraw/zinc/79/63/29/1130796329.db2.gz GZPYSHJIYVZGBC-MKXGPGLRSA-N 2 1 298.474 3.533 20 0 CHADMP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001235903034 1130800524 /nfs/dbraw/zinc/80/05/24/1130800524.db2.gz ICTVNXUURZKSRQ-KUHUBIRLSA-N 2 1 298.405 3.804 20 0 CHADMP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001235903034 1130800532 /nfs/dbraw/zinc/80/05/32/1130800532.db2.gz ICTVNXUURZKSRQ-KUHUBIRLSA-N 2 1 298.405 3.804 20 0 CHADMP C[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000783223246 1130803153 /nfs/dbraw/zinc/80/31/53/1130803153.db2.gz MMKVQCXCYGTSSA-JTDSTZFVSA-N 2 1 286.463 3.949 20 0 CHADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccccc1Oc1ccccc1 ZINC001235925553 1130805695 /nfs/dbraw/zinc/80/56/95/1130805695.db2.gz UVPMACQECMSCHW-KRWDZBQOSA-N 2 1 296.414 3.792 20 0 CHADMP C[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000783243336 1130806365 /nfs/dbraw/zinc/80/63/65/1130806365.db2.gz MBCLUMIMOZUGDJ-KXBFYZLASA-N 2 1 298.430 3.800 20 0 CHADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC001235925701 1130806752 /nfs/dbraw/zinc/80/67/52/1130806752.db2.gz XVXQCJQEYGDPGY-IBGZPJMESA-N 2 1 280.415 3.667 20 0 CHADMP Clc1cccc([C@@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235949484 1130814560 /nfs/dbraw/zinc/81/45/60/1130814560.db2.gz AHYFEEISWBMGAI-GOEBONIOSA-N 2 1 292.854 3.519 20 0 CHADMP c1cc2c(cc1C[N@H+]1CC[C@@H](C3CCCCC3)C1)C[NH2+]CC2 ZINC001235949296 1130814924 /nfs/dbraw/zinc/81/49/24/1130814924.db2.gz CWOZKNKTAGMTOZ-LJQANCHMSA-N 2 1 298.474 3.735 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235951963 1130815146 /nfs/dbraw/zinc/81/51/46/1130815146.db2.gz WKLDPZZMYCQVHB-IRXDYDNUSA-N 2 1 266.473 3.690 20 0 CHADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1-c1cccs1)C2 ZINC001235958657 1130817366 /nfs/dbraw/zinc/81/73/66/1130817366.db2.gz AHDUKAWYAFJOOA-JLVBRIDZSA-N 2 1 298.455 3.584 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H]4CC[C@@]4([NH3+])C3)cc2)cc1 ZINC001235995470 1130824569 /nfs/dbraw/zinc/82/45/69/1130824569.db2.gz VYRWCVVVYZONEA-WOJBJXKFSA-N 2 1 292.426 3.585 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@H]4CC[C@@]4([NH3+])C3)cc2)cc1 ZINC001235995470 1130824575 /nfs/dbraw/zinc/82/45/75/1130824575.db2.gz VYRWCVVVYZONEA-WOJBJXKFSA-N 2 1 292.426 3.585 20 0 CHADMP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1cccc3c4ccccc4oc31)C2 ZINC001235989645 1130824804 /nfs/dbraw/zinc/82/48/04/1130824804.db2.gz JCNMURLNRZCRSQ-LIRRHRJNSA-N 2 1 292.382 3.509 20 0 CHADMP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1cccc3c4ccccc4oc31)C2 ZINC001235989645 1130824807 /nfs/dbraw/zinc/82/48/07/1130824807.db2.gz JCNMURLNRZCRSQ-LIRRHRJNSA-N 2 1 292.382 3.509 20 0 CHADMP Cc1cccc(-c2ccc(C[N@@H+]3C[C@H]4CC[C@@]4([NH3+])C3)cc2)c1 ZINC001235994790 1130825694 /nfs/dbraw/zinc/82/56/94/1130825694.db2.gz UNNPEBPNYNETKT-WOJBJXKFSA-N 2 1 292.426 3.585 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3C[C@H]4CC[C@@]4([NH3+])C3)cc2)c1 ZINC001235994790 1130825696 /nfs/dbraw/zinc/82/56/96/1130825696.db2.gz UNNPEBPNYNETKT-WOJBJXKFSA-N 2 1 292.426 3.585 20 0 CHADMP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1cccc3c4ccccc4oc31)C2 ZINC001235989642 1130826078 /nfs/dbraw/zinc/82/60/78/1130826078.db2.gz JCNMURLNRZCRSQ-KUHUBIRLSA-N 2 1 292.382 3.509 20 0 CHADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1cccc3c4ccccc4oc31)C2 ZINC001235989642 1130826081 /nfs/dbraw/zinc/82/60/81/1130826081.db2.gz JCNMURLNRZCRSQ-KUHUBIRLSA-N 2 1 292.382 3.509 20 0 CHADMP Clc1ccc(C[NH+]2CC3(C2)CCC[NH2+]CC3)c(Cl)c1 ZINC001236009307 1130832633 /nfs/dbraw/zinc/83/26/33/1130832633.db2.gz QZXHVDDJVBLRDQ-UHFFFAOYSA-N 2 1 299.245 3.569 20 0 CHADMP C[C@H]1C[C@H]([NH3+])C[N@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001236046411 1130837043 /nfs/dbraw/zinc/83/70/43/1130837043.db2.gz GGPOLPFVGNTJHF-YJBOKZPZSA-N 2 1 280.415 3.523 20 0 CHADMP C[C@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001236046411 1130837047 /nfs/dbraw/zinc/83/70/47/1130837047.db2.gz GGPOLPFVGNTJHF-YJBOKZPZSA-N 2 1 280.415 3.523 20 0 CHADMP C[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC001236044877 1130837536 /nfs/dbraw/zinc/83/75/36/1130837536.db2.gz AQXQNHUZUPZECV-HIFRSBDPSA-N 2 1 294.398 3.755 20 0 CHADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC001236044877 1130837544 /nfs/dbraw/zinc/83/75/44/1130837544.db2.gz AQXQNHUZUPZECV-HIFRSBDPSA-N 2 1 294.398 3.755 20 0 CHADMP Cc1cccc(-c2ccc(C[N@@H+]3C[C@H](C)C[C@H]([NH3+])C3)cc2)c1 ZINC001236052012 1130840162 /nfs/dbraw/zinc/84/01/62/1130840162.db2.gz ZHQUKRXOZHEUSY-UZLBHIALSA-N 2 1 294.442 3.831 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3C[C@H](C)C[C@H]([NH3+])C3)cc2)c1 ZINC001236052012 1130840167 /nfs/dbraw/zinc/84/01/67/1130840167.db2.gz ZHQUKRXOZHEUSY-UZLBHIALSA-N 2 1 294.442 3.831 20 0 CHADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](C)Cc2ccc(C(C)C)cc2)C1 ZINC001236066777 1130845722 /nfs/dbraw/zinc/84/57/22/1130845722.db2.gz JMNBMUGIUVKIIC-WMZOPIPTSA-N 2 1 288.479 3.530 20 0 CHADMP CC(C)[N@@H+](CCCC[NH3+])Cc1ccc(Cl)cc1Cl ZINC001236092036 1130857944 /nfs/dbraw/zinc/85/79/44/1130857944.db2.gz DXMLWWSAKNFNPG-UHFFFAOYSA-N 2 1 289.250 3.943 20 0 CHADMP CSc1ccccc1[C@@H]1CCC[N@H+]1CCCCC[NH3+] ZINC001236108756 1130866411 /nfs/dbraw/zinc/86/64/11/1130866411.db2.gz MWFUTYFMDZNEOM-HNNXBMFYSA-N 2 1 278.465 3.674 20 0 CHADMP C[N@H+](CCCC[NH3+])Cc1c(Cl)cc(Cl)cc1Cl ZINC001236142006 1130873947 /nfs/dbraw/zinc/87/39/47/1130873947.db2.gz RCLHRCSYRHUWGE-UHFFFAOYSA-N 2 1 295.641 3.818 20 0 CHADMP C[N@@H+](CCCC[NH3+])Cc1c(Cl)cc(Cl)cc1Cl ZINC001236142006 1130873955 /nfs/dbraw/zinc/87/39/55/1130873955.db2.gz RCLHRCSYRHUWGE-UHFFFAOYSA-N 2 1 295.641 3.818 20 0 CHADMP C[N@@H+](CCCC[NH3+])Cc1ccc(C(F)(F)F)cc1Cl ZINC001236141914 1130874314 /nfs/dbraw/zinc/87/43/14/1130874314.db2.gz OOJNONCSHZWMSV-UHFFFAOYSA-N 2 1 294.748 3.530 20 0 CHADMP FC1(C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)CC[NH2+]CC1 ZINC001236151706 1130875672 /nfs/dbraw/zinc/87/56/72/1130875672.db2.gz GZZPJFVDRXOSFQ-HNNXBMFYSA-N 2 1 296.817 3.569 20 0 CHADMP CCC[N@@H+](Cc1ccccc1SCC)C1CC[NH2+]CC1 ZINC001236185175 1130882055 /nfs/dbraw/zinc/88/20/55/1130882055.db2.gz ZHKOTDHALMTXCF-UHFFFAOYSA-N 2 1 292.492 3.763 20 0 CHADMP CCC[N@@H+](Cc1cc(C)c(Cl)c(C)c1)C1CC[NH2+]CC1 ZINC001236184784 1130882090 /nfs/dbraw/zinc/88/20/90/1130882090.db2.gz PCBWLBMSTCVYTP-UHFFFAOYSA-N 2 1 294.870 3.921 20 0 CHADMP CCC[N@@H+](Cc1cccc(C(C)C)c1)C1CC[NH2+]CC1 ZINC001236185176 1130882663 /nfs/dbraw/zinc/88/26/63/1130882663.db2.gz ZHOUPUDMZLMCRY-UHFFFAOYSA-N 2 1 274.452 3.774 20 0 CHADMP c1[nH]c2ccccc2c1[C@@H]1CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC001236190347 1130883892 /nfs/dbraw/zinc/88/38/92/1130883892.db2.gz WDFMBDYSPIWUKS-IBGZPJMESA-N 2 1 297.446 3.695 20 0 CHADMP CCc1cc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])ccc1Cl ZINC001236214549 1130889088 /nfs/dbraw/zinc/88/90/88/1130889088.db2.gz FSZNZNYGXDXCMK-HOTGVXAUSA-N 2 1 280.843 3.604 20 0 CHADMP CCc1cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])ccc1Cl ZINC001236214549 1130889092 /nfs/dbraw/zinc/88/90/92/1130889092.db2.gz FSZNZNYGXDXCMK-HOTGVXAUSA-N 2 1 280.843 3.604 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc3cccccc2-3)CC1 ZINC001236214901 1130889579 /nfs/dbraw/zinc/88/95/79/1130889579.db2.gz KIDZZFQUTWKMRI-UHFFFAOYSA-N 2 1 282.431 3.754 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(C)c(Cl)cc2F)CC1 ZINC001236215765 1130890074 /nfs/dbraw/zinc/89/00/74/1130890074.db2.gz QBXQHKMTLJRDBW-UHFFFAOYSA-N 2 1 298.833 3.750 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236218189 1130892034 /nfs/dbraw/zinc/89/20/34/1130892034.db2.gz RNANEDGEKBVAPA-GJZGRUSLSA-N 2 1 288.460 3.911 20 0 CHADMP C[N@H+](Cc1ccc(C2CCC2)cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217003 1130892182 /nfs/dbraw/zinc/89/21/82/1130892182.db2.gz MKBMSPILPZBVRQ-ROUUACIJSA-N 2 1 272.436 3.656 20 0 CHADMP C[N@@H+](Cc1ccc(C2CCC2)cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217003 1130892187 /nfs/dbraw/zinc/89/21/87/1130892187.db2.gz MKBMSPILPZBVRQ-ROUUACIJSA-N 2 1 272.436 3.656 20 0 CHADMP C[N@H+](Cc1csc2ccccc12)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236220282 1130893109 /nfs/dbraw/zinc/89/31/09/1130893109.db2.gz YRBDECHRCXURMT-GJZGRUSLSA-N 2 1 274.433 3.603 20 0 CHADMP C[N@@H+](Cc1csc2ccccc12)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236220282 1130893114 /nfs/dbraw/zinc/89/31/14/1130893114.db2.gz YRBDECHRCXURMT-GJZGRUSLSA-N 2 1 274.433 3.603 20 0 CHADMP CC(C)Cc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236218026 1130893704 /nfs/dbraw/zinc/89/37/04/1130893704.db2.gz RANWRIJYTBYGOH-QZTJIDSGSA-N 2 1 274.452 3.587 20 0 CHADMP CC(C)Cc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236218026 1130893707 /nfs/dbraw/zinc/89/37/07/1130893707.db2.gz RANWRIJYTBYGOH-QZTJIDSGSA-N 2 1 274.452 3.587 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2c(C)cc(F)cc2Cl)CC1 ZINC001236216817 1130894106 /nfs/dbraw/zinc/89/41/06/1130894106.db2.gz WAPIIGIMCQSTGS-UHFFFAOYSA-N 2 1 298.833 3.750 20 0 CHADMP C[N@@H+](Cc1ccc(F)c2ccccc12)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236220641 1130894817 /nfs/dbraw/zinc/89/48/17/1130894817.db2.gz ZCCSGZBJBALBQD-ZWKOTPCHSA-N 2 1 286.394 3.681 20 0 CHADMP COC(C)(C)CCC[C@H](C)CC[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236222552 1130895998 /nfs/dbraw/zinc/89/59/98/1130895998.db2.gz IZPQHWWJFGIWAK-INIZCTEOSA-N 2 1 298.515 3.682 20 0 CHADMP C[N@@H+](CCC1C[NH2+]C1)Cc1cccc(Oc2ccccc2)c1 ZINC001236240140 1130901428 /nfs/dbraw/zinc/90/14/28/1130901428.db2.gz KUQATKROCWOLFQ-UHFFFAOYSA-N 2 1 296.414 3.520 20 0 CHADMP Cc1ccc(C[N@H+](C)Cc2ccc3c(c2)CC[NH2+]C3)cc1C ZINC001236241490 1130901448 /nfs/dbraw/zinc/90/14/48/1130901448.db2.gz RZFIUMDGMKFGGF-UHFFFAOYSA-N 2 1 294.442 3.581 20 0 CHADMP CCC[C@@H](C)C[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236286653 1130910614 /nfs/dbraw/zinc/91/06/14/1130910614.db2.gz NOTZGKKCHFINHF-MRXNPFEDSA-N 2 1 274.452 3.677 20 0 CHADMP CC[N@H+](Cc1ccc(-c2ccccc2)cc1)C[C@H]1CC[NH2+]C1 ZINC001236409232 1130931580 /nfs/dbraw/zinc/93/15/80/1130931580.db2.gz ZWBZBZIIILMVKE-SFHVURJKSA-N 2 1 294.442 3.785 20 0 CHADMP CC[N@@H+](C[C@@H](C)c1cccc2ccccc21)C[C@@H]1CC[NH2+]C1 ZINC001236408321 1130931601 /nfs/dbraw/zinc/93/16/01/1130931601.db2.gz NOWKOCZUYNIQKA-IAGOWNOFSA-N 2 1 296.458 3.875 20 0 CHADMP CC[N@H+]1CCc2cc(-c3cccc(C[NH+](C)C)c3)ccc2C1 ZINC001236419442 1130935052 /nfs/dbraw/zinc/93/50/52/1130935052.db2.gz PQUQOPXPUDFANA-UHFFFAOYSA-N 2 1 294.442 3.793 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H](C)c1cccc2ccccc21 ZINC001236420592 1130935823 /nfs/dbraw/zinc/93/58/23/1130935823.db2.gz QAEWOEKQPDQTIF-DOTOQJQBSA-N 2 1 282.431 3.627 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H](C)c1cccc2ccccc21 ZINC001236420592 1130935827 /nfs/dbraw/zinc/93/58/27/1130935827.db2.gz QAEWOEKQPDQTIF-DOTOQJQBSA-N 2 1 282.431 3.627 20 0 CHADMP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001236421373 1130936453 /nfs/dbraw/zinc/93/64/53/1130936453.db2.gz QJVFUBHVVXNQDS-IFXJQAMLSA-N 2 1 298.405 3.804 20 0 CHADMP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001236421373 1130936455 /nfs/dbraw/zinc/93/64/55/1130936455.db2.gz QJVFUBHVVXNQDS-IFXJQAMLSA-N 2 1 298.405 3.804 20 0 CHADMP Cc1cc(C)cc([C@@H]2CCC[N@@H+]2C[C@H]2CCCC[NH2+]2)c1 ZINC001236428412 1130938755 /nfs/dbraw/zinc/93/87/55/1130938755.db2.gz KBKBASUAIWCETJ-MSOLQXFVSA-N 2 1 272.436 3.582 20 0 CHADMP Cc1cc(C)cc([C@@H]2CCC[N@H+]2C[C@H]2CCCC[NH2+]2)c1 ZINC001236428412 1130938758 /nfs/dbraw/zinc/93/87/58/1130938758.db2.gz KBKBASUAIWCETJ-MSOLQXFVSA-N 2 1 272.436 3.582 20 0 CHADMP CC(C)C[N@H+](Cc1ccccc1C(F)F)[C@@H]1CCC[NH2+]C1 ZINC001236477785 1130951579 /nfs/dbraw/zinc/95/15/79/1130951579.db2.gz MSDOZQGFNSGOSF-OAHLLOKOSA-N 2 1 296.405 3.834 20 0 CHADMP CC(C)C[N@@H+](Cc1ccccc1C(F)F)[C@@H]1CCC[NH2+]C1 ZINC001236477785 1130951581 /nfs/dbraw/zinc/95/15/81/1130951581.db2.gz MSDOZQGFNSGOSF-OAHLLOKOSA-N 2 1 296.405 3.834 20 0 CHADMP CC[C@H](C)C[N@@H+](Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001236510248 1130960112 /nfs/dbraw/zinc/96/01/12/1130960112.db2.gz ZBEFVEAHZMURMQ-AWEZNQCLSA-N 2 1 292.442 3.734 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccc3occc32)CC2CC2)CC1 ZINC001236549927 1130973380 /nfs/dbraw/zinc/97/33/80/1130973380.db2.gz CWMAYOGQLUNHEA-QAQDUYKDSA-N 2 1 298.430 3.915 20 0 CHADMP Cc1cc(F)cc(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236551535 1130973847 /nfs/dbraw/zinc/97/38/47/1130973847.db2.gz DOPXWNCSERVCSH-IYARVYRRSA-N 2 1 290.426 3.616 20 0 CHADMP CC(C)CCC[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236567756 1130976227 /nfs/dbraw/zinc/97/62/27/1130976227.db2.gz ZNJRHHKUJHSWQP-JCNLHEQBSA-N 2 1 266.473 3.937 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236584859 1130980912 /nfs/dbraw/zinc/98/09/12/1130980912.db2.gz XKYXBPYHPWJYTK-IAGOWNOFSA-N 2 1 278.484 3.833 20 0 CHADMP CC1=C[C@@H](C)[C@H](C[N@@H+](C2CCC2)C2CC[NH2+]CC2)CC1 ZINC001236633470 1130986622 /nfs/dbraw/zinc/98/66/22/1130986622.db2.gz JNAUCFLFRSVMJA-CVEARBPZSA-N 2 1 276.468 3.585 20 0 CHADMP CC1=C[C@H](C)[C@@H](C[N@@H+](C2CCC2)C2CC[NH2+]CC2)CC1 ZINC001236633473 1130987718 /nfs/dbraw/zinc/98/77/18/1130987718.db2.gz JNAUCFLFRSVMJA-JKSUJKDBSA-N 2 1 276.468 3.585 20 0 CHADMP c1oc2ccccc2c1C[N@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236654262 1130989828 /nfs/dbraw/zinc/98/98/28/1130989828.db2.gz USYLTPOGJYFHKZ-KRWDZBQOSA-N 2 1 298.430 3.929 20 0 CHADMP c1oc2ccccc2c1C[N@@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236654262 1130989832 /nfs/dbraw/zinc/98/98/32/1130989832.db2.gz USYLTPOGJYFHKZ-KRWDZBQOSA-N 2 1 298.430 3.929 20 0 CHADMP CCC(CC)[N@@H+](CC[C@@H](C)SC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236783570 1131007590 /nfs/dbraw/zinc/00/75/90/1131007590.db2.gz URMMIHQVGQWCCP-IIAWOOMASA-N 2 1 286.529 3.889 20 0 CHADMP CCC(CC)[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)c1ccccc1 ZINC001236858508 1131022633 /nfs/dbraw/zinc/02/26/33/1131022633.db2.gz CIWZQZDTFOJESZ-HZPDHXFCSA-N 2 1 274.452 3.848 20 0 CHADMP CC(C)[N@H+](CC[C@H]1COC(C)(C)[NH2+]1)[C@@H](C)c1ccccc1 ZINC001236860628 1131024760 /nfs/dbraw/zinc/02/47/60/1131024760.db2.gz SAYIVVLAFAHLFN-RDJZCZTQSA-N 2 1 290.451 3.573 20 0 CHADMP CC(C)[N@@H+](CC[C@H]1COC(C)(C)[NH2+]1)[C@@H](C)c1ccccc1 ZINC001236860628 1131024765 /nfs/dbraw/zinc/02/47/65/1131024765.db2.gz SAYIVVLAFAHLFN-RDJZCZTQSA-N 2 1 290.451 3.573 20 0 CHADMP CC(C)[N@@H+](CC1(C)CC[NH2+]CC1)[C@@H](C)c1ccccc1 ZINC001236860553 1131025170 /nfs/dbraw/zinc/02/51/70/1131025170.db2.gz RDDUALYHSNRKMC-INIZCTEOSA-N 2 1 274.452 3.848 20 0 CHADMP [NH3+]C12CC(CC[N@H+]3CCC[C@@H](CCc4ccccc4)C3)(C1)C2 ZINC001236951059 1131032610 /nfs/dbraw/zinc/03/26/10/1131032610.db2.gz TZRHKMDTQBGILU-HDYDNRTBSA-N 2 1 298.474 3.603 20 0 CHADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)ccc1Cl ZINC001237082484 1131046953 /nfs/dbraw/zinc/04/69/53/1131046953.db2.gz QDMXWZZUTIWKBO-FTNCPSPGSA-N 2 1 299.245 3.695 20 0 CHADMP Cc1cc(C)c(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC001237146480 1131057531 /nfs/dbraw/zinc/05/75/31/1131057531.db2.gz RVBYWGNHBDUNKC-GOSISDBHSA-N 2 1 286.463 3.718 20 0 CHADMP Cc1cc(C)c(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC001237146480 1131057534 /nfs/dbraw/zinc/05/75/34/1131057534.db2.gz RVBYWGNHBDUNKC-GOSISDBHSA-N 2 1 286.463 3.718 20 0 CHADMP Cc1cc(C)c(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC001237146481 1131058534 /nfs/dbraw/zinc/05/85/34/1131058534.db2.gz RVBYWGNHBDUNKC-SFHVURJKSA-N 2 1 286.463 3.718 20 0 CHADMP Cc1cc(C)c(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC001237146481 1131058538 /nfs/dbraw/zinc/05/85/38/1131058538.db2.gz RVBYWGNHBDUNKC-SFHVURJKSA-N 2 1 286.463 3.718 20 0 CHADMP CCc1cccc(C)c1C[N@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237159942 1131061544 /nfs/dbraw/zinc/06/15/44/1131061544.db2.gz FYKRRWGWKOFADO-GOSISDBHSA-N 2 1 286.463 3.664 20 0 CHADMP CCc1cccc(C)c1C[N@@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237159942 1131061549 /nfs/dbraw/zinc/06/15/49/1131061549.db2.gz FYKRRWGWKOFADO-GOSISDBHSA-N 2 1 286.463 3.664 20 0 CHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3coc4ccccc34)C2)CC1 ZINC000798957234 1131064707 /nfs/dbraw/zinc/06/47/07/1131064707.db2.gz OWRWNDPFIOHCMN-UHFFFAOYSA-N 2 1 298.430 3.741 20 0 CHADMP C[C@H]1CCC[C@H](C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)C1 ZINC000798957150 1131065526 /nfs/dbraw/zinc/06/55/26/1131065526.db2.gz WMAUNCXMDHAANI-IRXDYDNUSA-N 2 1 278.484 3.621 20 0 CHADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000798956805 1131065631 /nfs/dbraw/zinc/06/56/31/1131065631.db2.gz ASTHKTZMQCCNOE-MOPGFXCFSA-N 2 1 298.474 3.598 20 0 CHADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1cccc2c3ccccc3sc21 ZINC001237204684 1131070618 /nfs/dbraw/zinc/07/06/18/1131070618.db2.gz RQYRZDHILPFDMH-OCCSQVGLSA-N 2 1 296.439 3.976 20 0 CHADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1cccc2c3ccccc3sc21 ZINC001237204684 1131070624 /nfs/dbraw/zinc/07/06/24/1131070624.db2.gz RQYRZDHILPFDMH-OCCSQVGLSA-N 2 1 296.439 3.976 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c(C)c1Cl ZINC001237408399 1131097812 /nfs/dbraw/zinc/09/78/12/1131097812.db2.gz BFARJZWVGDODAI-HZPDHXFCSA-N 2 1 292.854 3.531 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c(C)c1Cl ZINC001237408399 1131097818 /nfs/dbraw/zinc/09/78/18/1131097818.db2.gz BFARJZWVGDODAI-HZPDHXFCSA-N 2 1 292.854 3.531 20 0 CHADMP CC[NH+](CC)C1CC[NH+](CCCc2cccc(C)c2)CC1 ZINC001116490729 1131150078 /nfs/dbraw/zinc/15/00/78/1131150078.db2.gz QGAOYRMUFGIAFA-UHFFFAOYSA-N 2 1 288.479 3.734 20 0 CHADMP CC[NH+](CC)c1ccc(Nc2cccc(C[NH3+])c2)cc1 ZINC001159648974 1131160492 /nfs/dbraw/zinc/16/04/92/1131160492.db2.gz JNVULXXIKOZZJJ-UHFFFAOYSA-N 2 1 269.392 3.735 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001171018913 1131429480 /nfs/dbraw/zinc/42/94/80/1131429480.db2.gz UAGUMUGEEBVRBW-RTBURBONSA-N 2 1 288.479 3.986 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[NH2+][C@H]1C[NH2+]CCC1(C)C ZINC001246332218 1131473122 /nfs/dbraw/zinc/47/31/22/1131473122.db2.gz QBUBXGSGZRKERI-KKUMJFAQSA-N 2 1 254.462 3.569 20 0 CHADMP CC[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138547498 1131518519 /nfs/dbraw/zinc/51/85/19/1131518519.db2.gz NBYUELSBFLIYLZ-MRXNPFEDSA-N 2 1 269.392 3.555 20 0 CHADMP CC[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138547498 1131518520 /nfs/dbraw/zinc/51/85/20/1131518520.db2.gz NBYUELSBFLIYLZ-MRXNPFEDSA-N 2 1 269.392 3.555 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCCCCC2)cc1 ZINC001138543578 1131518814 /nfs/dbraw/zinc/51/88/14/1131518814.db2.gz PRZOACVTXNEIFY-UHFFFAOYSA-N 2 1 269.392 3.557 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC001138548291 1131519836 /nfs/dbraw/zinc/51/98/36/1131519836.db2.gz DGPLMZHBWDZYSO-HKUYNNGSSA-N 2 1 295.430 3.945 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC001138548291 1131519838 /nfs/dbraw/zinc/51/98/38/1131519838.db2.gz DGPLMZHBWDZYSO-HKUYNNGSSA-N 2 1 295.430 3.945 20 0 CHADMP CCCCC[C@@H](CCC)[NH2+]CC[C@@H]1CC[NH2+]CC1(F)F ZINC001246486566 1131524628 /nfs/dbraw/zinc/52/46/28/1131524628.db2.gz KGUNCXFBLFFYRR-LSDHHAIUSA-N 2 1 290.442 3.960 20 0 CHADMP CCCC(C[NH3+])(CCC)[NH2+][C@H](C)Cc1ccccc1OC ZINC001246497258 1131526226 /nfs/dbraw/zinc/52/62/26/1131526226.db2.gz QMENOZMSHYRWKX-OAHLLOKOSA-N 2 1 292.467 3.514 20 0 CHADMP C[N@@H+](CCCCCCC[NH3+])Cc1nc2ccccc2s1 ZINC000844220334 1131537559 /nfs/dbraw/zinc/53/75/59/1131537559.db2.gz DDDYOVFQGJRVSM-UHFFFAOYSA-N 2 1 291.464 3.637 20 0 CHADMP CCn1ccc2c1cccc2C[N@H+](C)C1CC[NH+](CC)CC1 ZINC001139154608 1131587334 /nfs/dbraw/zinc/58/73/34/1131587334.db2.gz VBEOEXCOZRUCGK-UHFFFAOYSA-N 2 1 299.462 3.577 20 0 CHADMP CCn1ccc2c1cccc2C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001139154608 1131587338 /nfs/dbraw/zinc/58/73/38/1131587338.db2.gz VBEOEXCOZRUCGK-UHFFFAOYSA-N 2 1 299.462 3.577 20 0 CHADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc(C)ccc1OCC ZINC001139607633 1131621358 /nfs/dbraw/zinc/62/13/58/1131621358.db2.gz YLDNCDASWXKGCW-UHFFFAOYSA-N 2 1 292.467 3.557 20 0 CHADMP Cc1cccc(C)c1-c1cccc(C[NH+]2CC(C)(C[NH3+])C2)c1 ZINC001206738089 1131635598 /nfs/dbraw/zinc/63/55/98/1131635598.db2.gz UZNCFRXHOCOMCW-UHFFFAOYSA-N 2 1 294.442 3.751 20 0 CHADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)C1CCCC1 ZINC001140027941 1131656948 /nfs/dbraw/zinc/65/69/48/1131656948.db2.gz HVKGTLJUYKMIOC-UHFFFAOYSA-N 2 1 269.392 3.555 20 0 CHADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)C1CCCC1 ZINC001140027941 1131656952 /nfs/dbraw/zinc/65/69/52/1131656952.db2.gz HVKGTLJUYKMIOC-UHFFFAOYSA-N 2 1 269.392 3.555 20 0 CHADMP CCC(CC)[N@H+](C)Cc1ccccc1-n1cc[nH+]c1C ZINC001140026937 1131657702 /nfs/dbraw/zinc/65/77/02/1131657702.db2.gz QTLQYPZGOHUNRI-UHFFFAOYSA-N 2 1 271.408 3.801 20 0 CHADMP CCC(CC)[N@@H+](C)Cc1ccccc1-n1cc[nH+]c1C ZINC001140026937 1131657704 /nfs/dbraw/zinc/65/77/04/1131657704.db2.gz QTLQYPZGOHUNRI-UHFFFAOYSA-N 2 1 271.408 3.801 20 0 CHADMP C[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C[C@H]1C ZINC001246574950 1131660862 /nfs/dbraw/zinc/66/08/62/1131660862.db2.gz OZKVDFHKJLEFOX-KLHDSHLOSA-N 2 1 266.473 3.521 20 0 CHADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@H](C)[C@H](C)C2)CC[NH2+]1 ZINC001246577089 1131667394 /nfs/dbraw/zinc/66/73/94/1131667394.db2.gz VEKADWLTWPZCNZ-YLFCFFPRSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1ccccc1C[C@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000846218314 1131700889 /nfs/dbraw/zinc/70/08/89/1131700889.db2.gz QJQKAQCQXAEZRC-GOSISDBHSA-N 2 1 274.452 3.521 20 0 CHADMP CC[N@@H+](CCCCCC[NH3+])[C@@H](C)c1cccc(OC)c1 ZINC000846218427 1131700998 /nfs/dbraw/zinc/70/09/98/1131700998.db2.gz OCMZYVYLGNVXPA-HNNXBMFYSA-N 2 1 278.440 3.597 20 0 CHADMP CCCCCC1CCC([N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246595192 1131710185 /nfs/dbraw/zinc/71/01/85/1131710185.db2.gz XMQYEOPFWAIGQH-GQGLESIBSA-N 2 1 284.463 3.887 20 0 CHADMP CCCCCC[C@@H](CC)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001246598947 1131711986 /nfs/dbraw/zinc/71/19/86/1131711986.db2.gz AAVDBZMTZMBEPN-SJORKVTESA-N 2 1 266.473 3.811 20 0 CHADMP CCCCC[C@@H](C)[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246629067 1131733959 /nfs/dbraw/zinc/73/39/59/1131733959.db2.gz DLOQGZWTNSCSKB-HZPDHXFCSA-N 2 1 252.446 3.563 20 0 CHADMP CCCCCC[C@@H](CCC)[N@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001246633693 1131740028 /nfs/dbraw/zinc/74/00/28/1131740028.db2.gz FFCSFQMYCFFPGZ-HZPDHXFCSA-N 2 1 252.446 3.563 20 0 CHADMP CCCCCC[C@@H](CCC)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246630921 1131740743 /nfs/dbraw/zinc/74/07/43/1131740743.db2.gz MBFNUVUWOYFCPF-IAGOWNOFSA-N 2 1 266.473 3.811 20 0 CHADMP CCCCC(CCCC)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001246650267 1131778115 /nfs/dbraw/zinc/77/81/15/1131778115.db2.gz SILJEIVBMYYBSU-MRXNPFEDSA-N 2 1 252.446 3.563 20 0 CHADMP CC1(C)CCC[C@H]([N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)C1 ZINC001246679084 1131779212 /nfs/dbraw/zinc/77/92/12/1131779212.db2.gz RXTKFAYSMAAHQH-ULQDDVLXSA-N 2 1 278.484 3.667 20 0 CHADMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCC2(CCCCC2)CC1 ZINC001246803203 1131783290 /nfs/dbraw/zinc/78/32/90/1131783290.db2.gz MSWLVVWCILJVQP-ZXFUBFMLSA-N 2 1 276.468 3.834 20 0 CHADMP C[N@@H+]([C@H]1CCC2(C[NH2+]C2)C1)C1CCC(C(C)(C)C)CC1 ZINC001246853845 1131790034 /nfs/dbraw/zinc/79/00/34/1131790034.db2.gz LSDOYCOTBFLJOM-GPANFISMSA-N 2 1 278.484 3.665 20 0 CHADMP CC[C@@H]1C[C@H]([N@H+]2CCCC3(CCC3)C2)C[C@H](CC)[NH2+]1 ZINC001246938717 1131823090 /nfs/dbraw/zinc/82/30/90/1131823090.db2.gz FVWSENCFPNHMED-ZSHCYNCHSA-N 2 1 264.457 3.562 20 0 CHADMP CCCC[C@@H](CC(C)C)[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001247004641 1131840414 /nfs/dbraw/zinc/84/04/14/1131840414.db2.gz SBONIKCAKODXJC-JKSUJKDBSA-N 2 1 254.462 3.652 20 0 CHADMP Cc1nc2cc(O[C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)ccc2[nH]1 ZINC001228329242 1131860063 /nfs/dbraw/zinc/86/00/63/1131860063.db2.gz MJTQLTLQRYDSCL-FOLVSLTJSA-N 2 1 299.418 3.654 20 0 CHADMP Cc1nc2ccc(O[C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C(C)C)cc2[nH]1 ZINC001228329242 1131860072 /nfs/dbraw/zinc/86/00/72/1131860072.db2.gz MJTQLTLQRYDSCL-FOLVSLTJSA-N 2 1 299.418 3.654 20 0 CHADMP Cc1cc([NH+]2CCCCC2)ccc1NC[C@H]1CCCC[NH2+]1 ZINC001171338339 1131872691 /nfs/dbraw/zinc/87/26/91/1131872691.db2.gz DZEFBDPVDMWVMB-MRXNPFEDSA-N 2 1 287.451 3.539 20 0 CHADMP C[C@H]1Cc2ccccc2C[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140804836 1131930770 /nfs/dbraw/zinc/93/07/70/1131930770.db2.gz HJRIAHMOHMTQSA-ZDUSSCGKSA-N 2 1 277.371 3.510 20 0 CHADMP C[C@H]1Cc2ccccc2C[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140804836 1131930777 /nfs/dbraw/zinc/93/07/77/1131930777.db2.gz HJRIAHMOHMTQSA-ZDUSSCGKSA-N 2 1 277.371 3.510 20 0 CHADMP CCCC[NH+]1CCC([NH2+]Cc2cc3ccccc3o2)CC1 ZINC000037149819 1132002256 /nfs/dbraw/zinc/00/22/56/1132002256.db2.gz KNFDNOWAFFKGJK-UHFFFAOYSA-N 2 1 286.419 3.787 20 0 CHADMP C[N@H+](Cc1cccc(C(C)(C)C)c1)CC1CC[NH+](C)CC1 ZINC001141103692 1132017509 /nfs/dbraw/zinc/01/75/09/1132017509.db2.gz GSNDHYHWTNHWKG-UHFFFAOYSA-N 2 1 288.479 3.758 20 0 CHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CCC1 ZINC000716634471 1132028052 /nfs/dbraw/zinc/02/80/52/1132028052.db2.gz BDVIMWUFTWKQQP-VUBSUSDNSA-N 2 1 298.474 3.818 20 0 CHADMP c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]([NH2+][C@@H]2CC=CCC2)C3)cc1 ZINC000716627725 1132028370 /nfs/dbraw/zinc/02/83/70/1132028370.db2.gz UAEDTMCYAWTRGH-NMLBUPMWSA-N 2 1 296.458 3.738 20 0 CHADMP C[NH+]1C(C)(C)CC([NH2+][C@@H]2CCCC[C@H]2F)CC1(C)C ZINC001171613837 1132064834 /nfs/dbraw/zinc/06/48/34/1132064834.db2.gz QWOVHWGWZQHNMW-ZIAGYGMSSA-N 2 1 270.436 3.508 20 0 CHADMP C[NH+]1C(C)(C)CC([NH2+]Cc2ccc(F)c(F)c2)CC1(C)C ZINC001171617287 1132065435 /nfs/dbraw/zinc/06/54/35/1132065435.db2.gz JHASGBGMKGCQMB-UHFFFAOYSA-N 2 1 296.405 3.706 20 0 CHADMP Cc1nc(C)c(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)s1 ZINC001171623347 1132066595 /nfs/dbraw/zinc/06/65/95/1132066595.db2.gz VEVVCMXUNSEJCL-UHFFFAOYSA-N 2 1 295.496 3.501 20 0 CHADMP CC1(C)C[C@@H]([NH2+]C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC001171963199 1132112969 /nfs/dbraw/zinc/11/29/69/1132112969.db2.gz HFVOMCQLJRMMJR-KRWDZBQOSA-N 2 1 272.436 3.572 20 0 CHADMP CC1(C)C[C@@H]([NH2+]C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171962375 1132113444 /nfs/dbraw/zinc/11/34/44/1132113444.db2.gz CPUHRKITOKVOIM-SFHVURJKSA-N 2 1 286.463 3.962 20 0 CHADMP C[C@@H]1CCC[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976952 1132119530 /nfs/dbraw/zinc/11/95/30/1132119530.db2.gz PBHSUSPEULYFIC-AEFFLSMTSA-N 2 1 286.463 3.914 20 0 CHADMP C[C@@H]1CCC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976952 1132119534 /nfs/dbraw/zinc/11/95/34/1132119534.db2.gz PBHSUSPEULYFIC-AEFFLSMTSA-N 2 1 286.463 3.914 20 0 CHADMP C[C@@H]1CCC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976952 1132119535 /nfs/dbraw/zinc/11/95/35/1132119535.db2.gz PBHSUSPEULYFIC-AEFFLSMTSA-N 2 1 286.463 3.914 20 0 CHADMP C[C@@H]1CCC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976952 1132119538 /nfs/dbraw/zinc/11/95/38/1132119538.db2.gz PBHSUSPEULYFIC-AEFFLSMTSA-N 2 1 286.463 3.914 20 0 CHADMP C[C@@H]1CC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172070356 1132120989 /nfs/dbraw/zinc/12/09/89/1132120989.db2.gz ZNTOODNQLPJTFK-OQIJWPOYSA-N 2 1 284.447 3.666 20 0 CHADMP C[C@@H]1CC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172070356 1132120995 /nfs/dbraw/zinc/12/09/95/1132120995.db2.gz ZNTOODNQLPJTFK-OQIJWPOYSA-N 2 1 284.447 3.666 20 0 CHADMP C[C@@H]1CC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172070356 1132120997 /nfs/dbraw/zinc/12/09/97/1132120997.db2.gz ZNTOODNQLPJTFK-OQIJWPOYSA-N 2 1 284.447 3.666 20 0 CHADMP C[C@@H]1CC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172070356 1132120999 /nfs/dbraw/zinc/12/09/99/1132120999.db2.gz ZNTOODNQLPJTFK-OQIJWPOYSA-N 2 1 284.447 3.666 20 0 CHADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC001172101627 1132122320 /nfs/dbraw/zinc/12/23/20/1132122320.db2.gz GNWNGZXDABSILH-FJIDUMEYSA-N 2 1 290.426 3.882 20 0 CHADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC001172101627 1132122324 /nfs/dbraw/zinc/12/23/24/1132122324.db2.gz GNWNGZXDABSILH-FJIDUMEYSA-N 2 1 290.426 3.882 20 0 CHADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC001172101629 1132122942 /nfs/dbraw/zinc/12/29/42/1132122942.db2.gz GNWNGZXDABSILH-XMTFNYHQSA-N 2 1 290.426 3.882 20 0 CHADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC001172101629 1132122948 /nfs/dbraw/zinc/12/29/48/1132122948.db2.gz GNWNGZXDABSILH-XMTFNYHQSA-N 2 1 290.426 3.882 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]CC2CCC2)C3)cc1 ZINC001172069528 1132124864 /nfs/dbraw/zinc/12/48/64/1132124864.db2.gz UUIRLOCVUNEGTH-ACDBMABISA-N 2 1 298.474 3.962 20 0 CHADMP CC(C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172068223 1132126116 /nfs/dbraw/zinc/12/61/16/1132126116.db2.gz PSBZHCJRLVDIKJ-BCDXTJNWSA-N 2 1 272.436 3.570 20 0 CHADMP CC[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172063852 1132126240 /nfs/dbraw/zinc/12/62/40/1132126240.db2.gz DENPZAOPKQIRHQ-KANFNMMFSA-N 2 1 286.463 3.960 20 0 CHADMP CC[C@H](C)C[C@H](CC)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000721513027 1132127093 /nfs/dbraw/zinc/12/70/93/1132127093.db2.gz FTTAKNYRPADNOW-WBAXXEDZSA-N 2 1 274.452 3.587 20 0 CHADMP CC[C@H](C)C[C@H](CC)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000721513027 1132127096 /nfs/dbraw/zinc/12/70/96/1132127096.db2.gz FTTAKNYRPADNOW-WBAXXEDZSA-N 2 1 274.452 3.587 20 0 CHADMP C[N@H+](CC1CCCCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129156 1132127454 /nfs/dbraw/zinc/12/74/54/1132127454.db2.gz XEYHBMRISAWOGJ-BJWYYQGGSA-N 2 1 264.457 3.514 20 0 CHADMP C[N@@H+](CC1CCCCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129156 1132127456 /nfs/dbraw/zinc/12/74/56/1132127456.db2.gz XEYHBMRISAWOGJ-BJWYYQGGSA-N 2 1 264.457 3.514 20 0 CHADMP C[NH+](CC1CCCCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172129156 1132127461 /nfs/dbraw/zinc/12/74/61/1132127461.db2.gz XEYHBMRISAWOGJ-BJWYYQGGSA-N 2 1 264.457 3.514 20 0 CHADMP C[NH+](CC1CCCCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172129156 1132127463 /nfs/dbraw/zinc/12/74/63/1132127463.db2.gz XEYHBMRISAWOGJ-BJWYYQGGSA-N 2 1 264.457 3.514 20 0 CHADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172110753 1132129087 /nfs/dbraw/zinc/12/90/87/1132129087.db2.gz ONNXRUGQLAPQTR-NXOAAHMSSA-N 2 1 272.436 3.661 20 0 CHADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172110753 1132129093 /nfs/dbraw/zinc/12/90/93/1132129093.db2.gz ONNXRUGQLAPQTR-NXOAAHMSSA-N 2 1 272.436 3.661 20 0 CHADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172107171 1132129882 /nfs/dbraw/zinc/12/98/82/1132129882.db2.gz UBHKHYPQOJGTRH-ZMMAXQRCSA-N 2 1 284.447 3.587 20 0 CHADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172107171 1132129885 /nfs/dbraw/zinc/12/98/85/1132129885.db2.gz UBHKHYPQOJGTRH-ZMMAXQRCSA-N 2 1 284.447 3.587 20 0 CHADMP CC[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(F)c1 ZINC001172107590 1132130952 /nfs/dbraw/zinc/13/09/52/1132130952.db2.gz FPFSCUJUAXIAIS-MHORFTMASA-N 2 1 290.426 3.882 20 0 CHADMP CC[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC001172107590 1132130954 /nfs/dbraw/zinc/13/09/54/1132130954.db2.gz FPFSCUJUAXIAIS-MHORFTMASA-N 2 1 290.426 3.882 20 0 CHADMP C[C@@H]1c2ccccc2CC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172112781 1132131264 /nfs/dbraw/zinc/13/12/64/1132131264.db2.gz FFEHOFPATCVAMV-NRSFXHEJSA-N 2 1 284.447 3.621 20 0 CHADMP C[C@@H]1c2ccccc2CC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172112781 1132131268 /nfs/dbraw/zinc/13/12/68/1132131268.db2.gz FFEHOFPATCVAMV-NRSFXHEJSA-N 2 1 284.447 3.621 20 0 CHADMP C[C@@H]1c2ccccc2CC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112781 1132131272 /nfs/dbraw/zinc/13/12/72/1132131272.db2.gz FFEHOFPATCVAMV-NRSFXHEJSA-N 2 1 284.447 3.621 20 0 CHADMP CC[N@H+](C1CCCCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113752 1132131739 /nfs/dbraw/zinc/13/17/39/1132131739.db2.gz LHCNUTUCWVTIEF-FVQHAEBGSA-N 2 1 264.457 3.656 20 0 CHADMP CC[N@@H+](C1CCCCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113752 1132131741 /nfs/dbraw/zinc/13/17/41/1132131741.db2.gz LHCNUTUCWVTIEF-FVQHAEBGSA-N 2 1 264.457 3.656 20 0 CHADMP CC[NH+](C1CCCCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113752 1132131746 /nfs/dbraw/zinc/13/17/46/1132131746.db2.gz LHCNUTUCWVTIEF-FVQHAEBGSA-N 2 1 264.457 3.656 20 0 CHADMP CC[NH+](C1CCCCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113752 1132131751 /nfs/dbraw/zinc/13/17/51/1132131751.db2.gz LHCNUTUCWVTIEF-FVQHAEBGSA-N 2 1 264.457 3.656 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCCCC1(C)C)C2 ZINC001172112144 1132132191 /nfs/dbraw/zinc/13/21/91/1132132191.db2.gz SKFMTRSMOSDMGS-FZKCQIBNSA-N 2 1 264.457 3.560 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCCCC1(C)C)C2 ZINC001172112144 1132132192 /nfs/dbraw/zinc/13/21/92/1132132192.db2.gz SKFMTRSMOSDMGS-FZKCQIBNSA-N 2 1 264.457 3.560 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)c1ccc(F)cc1)C2 ZINC001172114771 1132132426 /nfs/dbraw/zinc/13/24/26/1132132426.db2.gz QADTYRULSDEWLH-BJWYYQGGSA-N 2 1 290.426 3.666 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)c1ccc(F)cc1)C2 ZINC001172114771 1132132431 /nfs/dbraw/zinc/13/24/31/1132132431.db2.gz QADTYRULSDEWLH-BJWYYQGGSA-N 2 1 290.426 3.666 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CC(F)(F)C3)CC1)C2 ZINC001172116893 1132133529 /nfs/dbraw/zinc/13/35/29/1132133529.db2.gz DPEXTJUWFZEENA-QDMKHBRRSA-N 2 1 298.421 3.513 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CC(F)(F)C3)CC1)C2 ZINC001172116893 1132133533 /nfs/dbraw/zinc/13/35/33/1132133533.db2.gz DPEXTJUWFZEENA-QDMKHBRRSA-N 2 1 298.421 3.513 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)c1ccccc1F)C2 ZINC001172113257 1132133810 /nfs/dbraw/zinc/13/38/10/1132133810.db2.gz FTURGVFABIUINI-QKDCVEJESA-N 2 1 290.426 3.666 20 0 CHADMP CCC[N@H+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121742 1132135226 /nfs/dbraw/zinc/13/52/26/1132135226.db2.gz LPMLICBKKUYDJJ-BWTSREIZSA-N 2 1 286.463 3.914 20 0 CHADMP CCC[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121742 1132135232 /nfs/dbraw/zinc/13/52/32/1132135232.db2.gz LPMLICBKKUYDJJ-BWTSREIZSA-N 2 1 286.463 3.914 20 0 CHADMP CCC[NH+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172121742 1132135237 /nfs/dbraw/zinc/13/52/37/1132135237.db2.gz LPMLICBKKUYDJJ-BWTSREIZSA-N 2 1 286.463 3.914 20 0 CHADMP CCC[NH+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121742 1132135240 /nfs/dbraw/zinc/13/52/40/1132135240.db2.gz LPMLICBKKUYDJJ-BWTSREIZSA-N 2 1 286.463 3.914 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]3CCCC[C@H]31)C2 ZINC001172123501 1132135742 /nfs/dbraw/zinc/13/57/42/1132135742.db2.gz GNFDJNPAYOPJTF-DFBDCSAJSA-N 2 1 276.468 3.656 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]3CCCC[C@H]31)C2 ZINC001172123501 1132135746 /nfs/dbraw/zinc/13/57/46/1132135746.db2.gz GNFDJNPAYOPJTF-DFBDCSAJSA-N 2 1 276.468 3.656 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]3CCCC[C@H]31)C2 ZINC001172123501 1132135750 /nfs/dbraw/zinc/13/57/50/1132135750.db2.gz GNFDJNPAYOPJTF-DFBDCSAJSA-N 2 1 276.468 3.656 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H]3CCCC[C@H]31)C2 ZINC001172123501 1132135754 /nfs/dbraw/zinc/13/57/54/1132135754.db2.gz GNFDJNPAYOPJTF-DFBDCSAJSA-N 2 1 276.468 3.656 20 0 CHADMP CC[C@@H](C)OCC[C@@H](C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001172340370 1132176649 /nfs/dbraw/zinc/17/66/49/1132176649.db2.gz QIBDBZBYEBWPSH-IAGOWNOFSA-N 2 1 296.499 3.530 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H](C)CCOCC(C)C)CC1 ZINC001172480817 1132229787 /nfs/dbraw/zinc/22/97/87/1132229787.db2.gz ORSBGTQOJAEFHQ-KRWDZBQOSA-N 2 1 298.515 3.634 20 0 CHADMP Cc1c[nH+]c(CC[NH3+])n1[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172539040 1132275774 /nfs/dbraw/zinc/27/57/74/1132275774.db2.gz ZZFMSKZYJAKBRB-SJORKVTESA-N 2 1 283.419 3.592 20 0 CHADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+]C2CC(C)(C)OC(C)(C)C2)C1 ZINC001172654269 1132289828 /nfs/dbraw/zinc/28/98/28/1132289828.db2.gz ZKBVCGGPOXRCHU-AWEZNQCLSA-N 2 1 296.499 3.575 20 0 CHADMP CCC(CC)[N@H+]1CC[C@H]([NH2+]C2CC(C)(C)OC(C)(C)C2)C1 ZINC001172654269 1132289830 /nfs/dbraw/zinc/28/98/30/1132289830.db2.gz ZKBVCGGPOXRCHU-AWEZNQCLSA-N 2 1 296.499 3.575 20 0 CHADMP CCCCc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC001231783060 1132359161 /nfs/dbraw/zinc/35/91/61/1132359161.db2.gz WJKJKBRXEPFKAP-UHFFFAOYSA-N 2 1 288.479 3.803 20 0 CHADMP CO[C@H]1CCC[C@@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172928252 1132364036 /nfs/dbraw/zinc/36/40/36/1132364036.db2.gz JNUUNOUXCUEVOH-VQHPVUNQSA-N 2 1 296.499 3.562 20 0 CHADMP CCC[N@@H+](CC1CC1)C1CCC([NH+](CC)CC)CC1 ZINC001173108272 1132392828 /nfs/dbraw/zinc/39/28/28/1132392828.db2.gz IKLUHYZRLDECFY-UHFFFAOYSA-N 2 1 266.473 3.761 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@@H]2CCOC)CC1 ZINC001173112322 1132394171 /nfs/dbraw/zinc/39/41/71/1132394171.db2.gz VFVIFUQYTBLLTJ-LXPRWKDFSA-N 2 1 296.499 3.530 20 0 CHADMP CC[NH+](CC)C1CCC([N@@H+](CC2CC2)C2CC2)CC1 ZINC001173114069 1132394611 /nfs/dbraw/zinc/39/46/11/1132394611.db2.gz UWEHXICRFVPBPP-UHFFFAOYSA-N 2 1 264.457 3.514 20 0 CHADMP c1c2c[nH+]ccc2[nH]c1C[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC001232013588 1132410751 /nfs/dbraw/zinc/41/07/51/1132410751.db2.gz BXSPNGNQDXWSDO-SFHVURJKSA-N 2 1 292.386 3.685 20 0 CHADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CCCC[C@H]1c1cccnc1 ZINC001232013588 1132410753 /nfs/dbraw/zinc/41/07/53/1132410753.db2.gz BXSPNGNQDXWSDO-SFHVURJKSA-N 2 1 292.386 3.685 20 0 CHADMP c1c(C[N@@H+]2CCSc3ccccc3C2)[nH]c2cc[nH+]cc12 ZINC001232015163 1132410808 /nfs/dbraw/zinc/41/08/08/1132410808.db2.gz BZCIEWWQOYQFME-UHFFFAOYSA-N 2 1 295.411 3.671 20 0 CHADMP c1c(C[N@H+]2CCSc3ccccc3C2)[nH]c2cc[nH+]cc12 ZINC001232015163 1132410810 /nfs/dbraw/zinc/41/08/10/1132410810.db2.gz BZCIEWWQOYQFME-UHFFFAOYSA-N 2 1 295.411 3.671 20 0 CHADMP CCc1ccc(C[N@@H+](C)Cc2cc3c[nH+]ccc3[nH]2)cc1 ZINC001232015371 1132411121 /nfs/dbraw/zinc/41/11/21/1132411121.db2.gz FOFPOUIJPUDXGH-UHFFFAOYSA-N 2 1 279.387 3.757 20 0 CHADMP C[C@H]1Cc2ccccc2C[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232016596 1132411178 /nfs/dbraw/zinc/41/11/78/1132411178.db2.gz DGIXTKDFPOOTBZ-ZDUSSCGKSA-N 2 1 277.371 3.510 20 0 CHADMP Fc1ccc([C@H]2CC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001232016563 1132411693 /nfs/dbraw/zinc/41/16/93/1132411693.db2.gz ZMBAEMRZGIDLAV-AWEZNQCLSA-N 2 1 295.361 3.692 20 0 CHADMP CCCC[C@@H](CC(C)C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001173248054 1132419411 /nfs/dbraw/zinc/41/94/11/1132419411.db2.gz BMJKQHQAOUCZOW-CVEARBPZSA-N 2 1 254.462 3.523 20 0 CHADMP CCC(CC)[N@@H+](CC)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232146646 1132428057 /nfs/dbraw/zinc/42/80/57/1132428057.db2.gz XAKNKQIAWNZEKA-UHFFFAOYSA-N 2 1 280.431 3.898 20 0 CHADMP C[C@H]1C[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)CCC[C@@H]1C ZINC001232144347 1132428380 /nfs/dbraw/zinc/42/83/80/1132428380.db2.gz IYUODTKZBWVXMF-GJZGRUSLSA-N 2 1 292.442 3.755 20 0 CHADMP CCS[C@H]1CC[C@H]([N@@H+](C)CCCCCCC[NH3+])C1 ZINC000842472408 1132433108 /nfs/dbraw/zinc/43/31/08/1132433108.db2.gz ABKDXRQBYOXSTP-GJZGRUSLSA-N 2 1 272.502 3.502 20 0 CHADMP CC[C@H]1CC[C@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173271018 1132436646 /nfs/dbraw/zinc/43/66/46/1132436646.db2.gz OYIGQRYERLCELU-HJWJTTGWSA-N 2 1 264.457 3.547 20 0 CHADMP CC[C@@H]1CC[C@H](N(c2cccc(C)[nH+]2)C2CC[NH2+]CC2)C1 ZINC001173284468 1132455803 /nfs/dbraw/zinc/45/58/03/1132455803.db2.gz POTSUCGMWMGXMV-WBVHZDCISA-N 2 1 287.451 3.527 20 0 CHADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCCC4(CCCCC4)C3)C[C@@H]2C1 ZINC001173343867 1132468259 /nfs/dbraw/zinc/46/82/59/1132468259.db2.gz KLZCDEJXXQCSFP-SQNIBIBYSA-N 2 1 290.495 3.763 20 0 CHADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCCC4(CCCCC4)C3)C[C@@H]2C1 ZINC001173343867 1132468263 /nfs/dbraw/zinc/46/82/63/1132468263.db2.gz KLZCDEJXXQCSFP-SQNIBIBYSA-N 2 1 290.495 3.763 20 0 CHADMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCCC4(CCCCC4)C3)C[C@@H]2C1 ZINC001173343867 1132468265 /nfs/dbraw/zinc/46/82/65/1132468265.db2.gz KLZCDEJXXQCSFP-SQNIBIBYSA-N 2 1 290.495 3.763 20 0 CHADMP CCCCOc1ccccc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843055526 1132494761 /nfs/dbraw/zinc/49/47/61/1132494761.db2.gz FPSLZKHRGXDOLE-UHFFFAOYSA-N 2 1 290.451 3.567 20 0 CHADMP C[N@@H+]([C@@H]1CC[C@@](C)(c2ccccc2)C1)C1CCC([NH3+])CC1 ZINC000843054914 1132495212 /nfs/dbraw/zinc/49/52/12/1132495212.db2.gz NIMILPUYGMIKRZ-CSODTCANSA-N 2 1 286.463 3.699 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1 ZINC001206631875 1132546721 /nfs/dbraw/zinc/54/67/21/1132546721.db2.gz BTZPIPNCDNUGDI-QGZVFWFLSA-N 2 1 288.479 3.935 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CCCC[C@@H](C[NH3+])C3)cc2)o1 ZINC001206632702 1132550477 /nfs/dbraw/zinc/55/04/77/1132550477.db2.gz OCAIPPDHUIWMRE-KRWDZBQOSA-N 2 1 298.430 3.816 20 0 CHADMP CN1CCC([N@@H+](Cc2ccc(Cl)o2)C2CCCC2)CC1 ZINC001233317367 1132599046 /nfs/dbraw/zinc/59/90/46/1132599046.db2.gz KBHYTGBOIYQMDG-UHFFFAOYSA-N 2 1 296.842 3.772 20 0 CHADMP C(Nc1ccc([NH+]2CCCCCC2)cc1)=C1CC[NH2+]CC1 ZINC001159542156 1132860538 /nfs/dbraw/zinc/86/05/38/1132860538.db2.gz KJKYAUUAKYYVCD-UHFFFAOYSA-N 2 1 285.435 3.746 20 0 CHADMP c1nc2ccc(NC3=CC[C@H]([NH+]4CCCC4)CC3)cc2[nH]1 ZINC001160222903 1132948334 /nfs/dbraw/zinc/94/83/34/1132948334.db2.gz APSOLEYBWOXQLZ-HNNXBMFYSA-N 2 1 282.391 3.507 20 0 CHADMP c1[nH]c2ccc(NC3=CC[C@H]([NH+]4CCCC4)CC3)cc2[nH+]1 ZINC001160222903 1132948336 /nfs/dbraw/zinc/94/83/36/1132948336.db2.gz APSOLEYBWOXQLZ-HNNXBMFYSA-N 2 1 282.391 3.507 20 0 CHADMP Cc1cccn2c([C@H](C)Nc3ccc(C)c(C)n3)cnc12 ZINC001160682527 1132978924 /nfs/dbraw/zinc/97/89/24/1132978924.db2.gz FOTIABAUFGCCLL-AWEZNQCLSA-N 2 1 280.375 3.828 20 0 CHADMP c1cc(NCC2CC[NH+](CC3CCC3)CC2)[nH+]c(C2CC2)c1 ZINC001161234913 1132995447 /nfs/dbraw/zinc/99/54/47/1132995447.db2.gz YBYFSVJKNIVHLL-UHFFFAOYSA-N 2 1 299.462 3.883 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](C)[C@H](C)c1ccc(C)cc1 ZINC001167039508 1133300573 /nfs/dbraw/zinc/30/05/73/1133300573.db2.gz ZXAUGNZUBILCIS-MRXNPFEDSA-N 2 1 262.441 3.720 20 0 CHADMP CCC1CCC([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001203181138 1133305699 /nfs/dbraw/zinc/30/56/99/1133305699.db2.gz OFSFBJVYFCIBOW-OFLPRAFFSA-N 2 1 278.484 3.952 20 0 CHADMP CCC1CCC([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001203181138 1133305703 /nfs/dbraw/zinc/30/57/03/1133305703.db2.gz OFSFBJVYFCIBOW-OFLPRAFFSA-N 2 1 278.484 3.952 20 0 CHADMP Cc1ccccc1C[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001203700888 1133355339 /nfs/dbraw/zinc/35/53/39/1133355339.db2.gz OOMPEGODBYKMID-UHFFFAOYSA-N 2 1 298.474 3.835 20 0 CHADMP Cc1ccccc1C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001203700888 1133355346 /nfs/dbraw/zinc/35/53/46/1133355346.db2.gz OOMPEGODBYKMID-UHFFFAOYSA-N 2 1 298.474 3.835 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+]CC3CCC=CCC3)CC2)cc1 ZINC001203781776 1133368861 /nfs/dbraw/zinc/36/88/61/1133368861.db2.gz FGSKKYBRNQGWEX-UHFFFAOYSA-N 2 1 298.474 3.987 20 0 CHADMP CCCOc1ccc(C[N@@H+](CCC)CCC[NH+](C)C)cc1 ZINC001204309953 1133433511 /nfs/dbraw/zinc/43/35/11/1133433511.db2.gz FHHREENXJKPUCY-UHFFFAOYSA-N 2 1 292.467 3.639 20 0 CHADMP C[C@@H](CC1CCCCC1)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC001204441320 1133447435 /nfs/dbraw/zinc/44/74/35/1133447435.db2.gz JOTPOHBTOFLTEQ-FUHWJXTLSA-N 2 1 280.500 3.867 20 0 CHADMP C[C@@H](CC1CCCCC1)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC001204441320 1133447437 /nfs/dbraw/zinc/44/74/37/1133447437.db2.gz JOTPOHBTOFLTEQ-FUHWJXTLSA-N 2 1 280.500 3.867 20 0 CHADMP C[C@@H](CC1CCCCC1)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC001204441320 1133447439 /nfs/dbraw/zinc/44/74/39/1133447439.db2.gz JOTPOHBTOFLTEQ-FUHWJXTLSA-N 2 1 280.500 3.867 20 0 CHADMP Cc1cc(Cl)cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204742655 1133480337 /nfs/dbraw/zinc/48/03/37/1133480337.db2.gz PULYURUZDCNJKG-UHFFFAOYSA-N 2 1 292.854 3.614 20 0 CHADMP CCC[C@@]1(C)CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC001204776222 1133484586 /nfs/dbraw/zinc/48/45/86/1133484586.db2.gz LWCUHPIMGCADCT-SFHVURJKSA-N 2 1 298.434 3.670 20 0 CHADMP CCC[C@@]1(C)CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC001204776222 1133484590 /nfs/dbraw/zinc/48/45/90/1133484590.db2.gz LWCUHPIMGCADCT-SFHVURJKSA-N 2 1 298.434 3.670 20 0 CHADMP C[C@H]1CC([NH2+]CC2([NH+](C)C)CCCCC2)C[C@H](C)C1 ZINC000084462720 1133485739 /nfs/dbraw/zinc/48/57/39/1133485739.db2.gz VENDWOLTKMHXLV-HUUCEWRRSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC001204925361 1133500837 /nfs/dbraw/zinc/50/08/37/1133500837.db2.gz RSCPQCUPDLGVMK-CYBMUJFWSA-N 2 1 274.433 3.523 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC001204925361 1133500842 /nfs/dbraw/zinc/50/08/42/1133500842.db2.gz RSCPQCUPDLGVMK-CYBMUJFWSA-N 2 1 274.433 3.523 20 0 CHADMP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001204933979 1133502027 /nfs/dbraw/zinc/50/20/27/1133502027.db2.gz YWIHGRABLXWEEG-GOSISDBHSA-N 2 1 298.405 3.806 20 0 CHADMP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001204933979 1133502032 /nfs/dbraw/zinc/50/20/32/1133502032.db2.gz YWIHGRABLXWEEG-GOSISDBHSA-N 2 1 298.405 3.806 20 0 CHADMP Cc1ccc(-c2cccc(C[N@@H+]3CCC[C@@](C)([NH3+])C3)c2)cc1 ZINC001204945638 1133506127 /nfs/dbraw/zinc/50/61/27/1133506127.db2.gz IBEQZNMKGXHDOR-HXUWFJFHSA-N 2 1 294.442 3.975 20 0 CHADMP Cc1ccc(-c2cccc(C[N@H+]3CCC[C@@](C)([NH3+])C3)c2)cc1 ZINC001204945638 1133506129 /nfs/dbraw/zinc/50/61/29/1133506129.db2.gz IBEQZNMKGXHDOR-HXUWFJFHSA-N 2 1 294.442 3.975 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H](C)c2cccc3ccccc32)C1 ZINC001205002079 1133516199 /nfs/dbraw/zinc/51/61/99/1133516199.db2.gz YXFPUYVITYWACA-IAGOWNOFSA-N 2 1 296.458 3.875 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)s1 ZINC001205009298 1133516863 /nfs/dbraw/zinc/51/68/63/1133516863.db2.gz MWNNSPKNDATOFB-AWEZNQCLSA-N 2 1 280.481 3.522 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)cc1 ZINC001205016756 1133516890 /nfs/dbraw/zinc/51/68/90/1133516890.db2.gz KBNACVRTKVRYAD-KRWDZBQOSA-N 2 1 288.479 3.806 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205075311 1133524031 /nfs/dbraw/zinc/52/40/31/1133524031.db2.gz HUQGXAWJCQRONV-WMZOPIPTSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205075311 1133524034 /nfs/dbraw/zinc/52/40/34/1133524034.db2.gz HUQGXAWJCQRONV-WMZOPIPTSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205117486 1133532039 /nfs/dbraw/zinc/53/20/39/1133532039.db2.gz PFMGKBMRADQEES-SFHVURJKSA-N 2 1 294.442 3.975 20 0 CHADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccccc2-c2ccc(F)cc2)CC1 ZINC001205117717 1133532396 /nfs/dbraw/zinc/53/23/96/1133532396.db2.gz SLXDJKCTMACLJN-GOSISDBHSA-N 2 1 298.405 3.806 20 0 CHADMP c1ccc([C@@H]2CCCC[N@@H+]2CC2CC3(C2)CC[NH2+]CC3)cc1 ZINC001205164941 1133540242 /nfs/dbraw/zinc/54/02/42/1133540242.db2.gz XJYUMUMTODEVTA-IBGZPJMESA-N 2 1 298.474 3.993 20 0 CHADMP CCCCc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC001205306334 1133557808 /nfs/dbraw/zinc/55/78/08/1133557808.db2.gz VNYGXDFBGMFUCB-KGLIPLIRSA-N 2 1 280.481 3.507 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205305958 1133558510 /nfs/dbraw/zinc/55/85/10/1133558510.db2.gz USISBSITRAFKHO-YOEHRIQHSA-N 2 1 282.431 3.565 20 0 CHADMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1 ZINC001205545524 1133586832 /nfs/dbraw/zinc/58/68/32/1133586832.db2.gz IWZRQLZFDNSKMF-SFHVURJKSA-N 2 1 292.442 3.637 20 0 CHADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(F)cc1Cl ZINC001205655158 1133599872 /nfs/dbraw/zinc/59/98/72/1133599872.db2.gz YWUNKUZPALJATG-YPMHNXCESA-N 2 1 298.833 3.594 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](CC)C[C@@H](C)C(C)(C)C ZINC001205684555 1133602438 /nfs/dbraw/zinc/60/24/38/1133602438.db2.gz HZXQZMWRPZIOKE-OAHLLOKOSA-N 2 1 256.478 3.722 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](CC)CC1 ZINC001205717592 1133606436 /nfs/dbraw/zinc/60/64/36/1133606436.db2.gz ROEOYDQXUPUDBE-BBWFWOEESA-N 2 1 266.473 3.809 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](CC)CC1 ZINC001205717592 1133606438 /nfs/dbraw/zinc/60/64/38/1133606438.db2.gz ROEOYDQXUPUDBE-BBWFWOEESA-N 2 1 266.473 3.809 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205815773 1133618178 /nfs/dbraw/zinc/61/81/78/1133618178.db2.gz HTWWAPDCFNPPEZ-GXTWGEPZSA-N 2 1 288.460 3.769 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205815773 1133618191 /nfs/dbraw/zinc/61/81/91/1133618191.db2.gz HTWWAPDCFNPPEZ-GXTWGEPZSA-N 2 1 288.460 3.769 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c2ccccc12 ZINC001205904884 1133628656 /nfs/dbraw/zinc/62/86/56/1133628656.db2.gz XXQFEFVOTBWYAU-HOTGVXAUSA-N 2 1 282.431 3.707 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205916205 1133629601 /nfs/dbraw/zinc/62/96/01/1133629601.db2.gz STFGZEZUCLVZOF-UONOGXRCSA-N 2 1 280.843 3.516 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205985135 1133637761 /nfs/dbraw/zinc/63/77/61/1133637761.db2.gz WFJWIJRIIXJOMK-GVDBMIGSSA-N 2 1 266.473 3.676 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c2ccccc12 ZINC001205996538 1133638822 /nfs/dbraw/zinc/63/88/22/1133638822.db2.gz XDOKWXGKSQRODW-SJORKVTESA-N 2 1 296.458 3.955 20 0 CHADMP Cc1ccc(Cl)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1F ZINC001205996565 1133639197 /nfs/dbraw/zinc/63/91/97/1133639197.db2.gz XHMVOSPLNGEWBR-QWHCGFSZSA-N 2 1 298.833 3.594 20 0 CHADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc3oc4ccccc4c3c2)C1 ZINC001206277258 1133681169 /nfs/dbraw/zinc/68/11/69/1133681169.db2.gz PXEGGCNSCKUYNW-CQSZACIVSA-N 2 1 294.398 3.627 20 0 CHADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc3oc4ccccc4c3c2)C1 ZINC001206277258 1133681171 /nfs/dbraw/zinc/68/11/71/1133681171.db2.gz PXEGGCNSCKUYNW-CQSZACIVSA-N 2 1 294.398 3.627 20 0 CHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccccc2C2CC2)CC1 ZINC001206311517 1133688078 /nfs/dbraw/zinc/68/80/78/1133688078.db2.gz QEDLHZQJDFDYBS-GOSISDBHSA-N 2 1 272.436 3.515 20 0 CHADMP Cc1ccc(Cl)cc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206318602 1133688698 /nfs/dbraw/zinc/68/86/98/1133688698.db2.gz RTDXSNQUAWDPER-INIZCTEOSA-N 2 1 280.843 3.599 20 0 CHADMP CC(C)c1cccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206326837 1133689793 /nfs/dbraw/zinc/68/97/93/1133689793.db2.gz PQBOENCXHPTVSY-GOSISDBHSA-N 2 1 274.452 3.761 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(C)c1Cl ZINC001206336335 1133692067 /nfs/dbraw/zinc/69/20/67/1133692067.db2.gz MBXLPRTZWOIZGQ-KRWDZBQOSA-N 2 1 294.870 3.908 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001206563333 1133717851 /nfs/dbraw/zinc/71/78/51/1133717851.db2.gz CJMYKYOGNUPZMW-LJQANCHMSA-N 2 1 288.479 3.980 20 0 CHADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC001206563293 1133718374 /nfs/dbraw/zinc/71/83/74/1133718374.db2.gz BKMYDCFQBDUNQR-LJQANCHMSA-N 2 1 298.430 3.898 20 0 CHADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC001206563292 1133718395 /nfs/dbraw/zinc/71/83/95/1133718395.db2.gz BKMYDCFQBDUNQR-IBGZPJMESA-N 2 1 298.430 3.898 20 0 CHADMP CC(C)Cc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001206563876 1133718673 /nfs/dbraw/zinc/71/86/73/1133718673.db2.gz JLZQTFZQMSJNQV-IBGZPJMESA-N 2 1 288.479 3.836 20 0 CHADMP Cc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(C)c1Cl ZINC001206580585 1133722437 /nfs/dbraw/zinc/72/24/37/1133722437.db2.gz FJLHFYNLQIGOIE-KRWDZBQOSA-N 2 1 294.870 3.908 20 0 CHADMP CCSc1ccccc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206580503 1133722623 /nfs/dbraw/zinc/72/26/23/1133722623.db2.gz DCCMLXIVUZCBHD-KRWDZBQOSA-N 2 1 292.492 3.750 20 0 CHADMP CSc1ccccc1C[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206591353 1133723648 /nfs/dbraw/zinc/72/36/48/1133723648.db2.gz SBSKATZRKMEROE-INIZCTEOSA-N 2 1 292.492 3.761 20 0 CHADMP CC(C)[N@@H+](Cc1ccc(C2CC2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC001206599281 1133725171 /nfs/dbraw/zinc/72/51/71/1133725171.db2.gz PWWQZORZCUGRSY-LJQANCHMSA-N 2 1 286.463 3.917 20 0 CHADMP CCc1cccc(C)c1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206599544 1133726067 /nfs/dbraw/zinc/72/60/67/1133726067.db2.gz UQXLMVKEPDJVKH-GOSISDBHSA-N 2 1 288.479 3.910 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206767894 1133745415 /nfs/dbraw/zinc/74/54/15/1133745415.db2.gz FYFUAASNSFGZHF-JSGCOSHPSA-N 2 1 288.460 3.769 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206770178 1133745629 /nfs/dbraw/zinc/74/56/29/1133745629.db2.gz RWFSEBMDSUIROU-CVEARBPZSA-N 2 1 282.431 3.707 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@@H](C[NH3+])CC[C@H]3C)cc2)o1 ZINC001206767438 1133745693 /nfs/dbraw/zinc/74/56/93/1133745693.db2.gz BIJURJYFRWHLOI-RHSMWYFYSA-N 2 1 298.430 3.814 20 0 CHADMP CCCCc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1 ZINC001206769378 1133745835 /nfs/dbraw/zinc/74/58/35/1133745835.db2.gz OXNNFGIHVSDIRQ-CRAIPNDOSA-N 2 1 274.452 3.588 20 0 CHADMP CC(C)CCCC[N@H+]1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC001206799412 1133750158 /nfs/dbraw/zinc/75/01/58/1133750158.db2.gz FKKIMTDRCIHWFP-DLBZAZTESA-N 2 1 268.489 3.865 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1 ZINC001206810051 1133751325 /nfs/dbraw/zinc/75/13/25/1133751325.db2.gz MXKBPWLGZGGISD-KGLIPLIRSA-N 2 1 280.843 3.516 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC001207285363 1133788116 /nfs/dbraw/zinc/78/81/16/1133788116.db2.gz HXYVBSOYQZUKDU-MRXNPFEDSA-N 2 1 278.415 3.550 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC001207285363 1133788118 /nfs/dbraw/zinc/78/81/18/1133788118.db2.gz HXYVBSOYQZUKDU-MRXNPFEDSA-N 2 1 278.415 3.550 20 0 CHADMP C[NH+]1CCC(CC[N@H+]2CCC[C@@H]2C2CCCCC2)CC1 ZINC001207486430 1133806742 /nfs/dbraw/zinc/80/67/42/1133806742.db2.gz ILCSDZGWGGTCBS-GOSISDBHSA-N 2 1 278.484 3.763 20 0 CHADMP CC(C)[NH+]1CCC(C[N@@H+](C)C[C@H](C)c2ccccc2)CC1 ZINC001207903749 1133859644 /nfs/dbraw/zinc/85/96/44/1133859644.db2.gz AKKGJASXWZJISR-KRWDZBQOSA-N 2 1 288.479 3.842 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)CCCc2ccc(C)o2)CC1 ZINC001207949714 1133869392 /nfs/dbraw/zinc/86/93/92/1133869392.db2.gz NMFVWMQKJDETGY-UHFFFAOYSA-N 2 1 292.467 3.717 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2C)CC1 ZINC000088683791 1133874461 /nfs/dbraw/zinc/87/44/61/1133874461.db2.gz KMALQEPCQQOWJA-QFBILLFUSA-N 2 1 286.463 3.738 20 0 CHADMP C[N@@H+](Cc1ccc(Cl)cc1)CC1(C)CC[NH+](C)CC1 ZINC001208114403 1133879552 /nfs/dbraw/zinc/87/95/52/1133879552.db2.gz VBYOJZYYHGZGRO-UHFFFAOYSA-N 2 1 280.843 3.504 20 0 CHADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H]2c2ccccc2C)CC1 ZINC001208596220 1133919482 /nfs/dbraw/zinc/91/94/82/1133919482.db2.gz GXYMEMVDJWUJNT-IBGZPJMESA-N 2 1 286.463 3.864 20 0 CHADMP CC[N@@H+](C)C1CC[NH+](CCC(C)(C)c2ccccc2)CC1 ZINC001208669139 1133925340 /nfs/dbraw/zinc/92/53/40/1133925340.db2.gz HIBKDJHDQHOWTD-UHFFFAOYSA-N 2 1 288.479 3.770 20 0 CHADMP C[N@H+](CCCc1ccccc1Cl)CCC[NH+]1CCCC1 ZINC001208872105 1133955611 /nfs/dbraw/zinc/95/56/11/1133955611.db2.gz RXDLFZKZDYKYGC-UHFFFAOYSA-N 2 1 294.870 3.690 20 0 CHADMP C[C@H]1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208928346 1133964082 /nfs/dbraw/zinc/96/40/82/1133964082.db2.gz FXFCLFLTNBDWDW-PKOBYXMFSA-N 2 1 286.463 3.631 20 0 CHADMP C[C@@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H]1C ZINC001208951103 1133965038 /nfs/dbraw/zinc/96/50/38/1133965038.db2.gz YPKHQCALBAANDQ-AOIWGVFYSA-N 2 1 286.463 3.629 20 0 CHADMP C[C@@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1C ZINC001208951103 1133965041 /nfs/dbraw/zinc/96/50/41/1133965041.db2.gz YPKHQCALBAANDQ-AOIWGVFYSA-N 2 1 286.463 3.629 20 0 CHADMP C[C@@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1C ZINC001208951103 1133965044 /nfs/dbraw/zinc/96/50/44/1133965044.db2.gz YPKHQCALBAANDQ-AOIWGVFYSA-N 2 1 286.463 3.629 20 0 CHADMP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC34CC4)C2)cc1 ZINC001208933228 1133965662 /nfs/dbraw/zinc/96/56/62/1133965662.db2.gz UYVNHVLIQBSYMK-SFHVURJKSA-N 2 1 284.447 3.527 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC34CC4)C2)cc1 ZINC001208933228 1133965667 /nfs/dbraw/zinc/96/56/67/1133965667.db2.gz UYVNHVLIQBSYMK-SFHVURJKSA-N 2 1 284.447 3.527 20 0 CHADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC34CC4)C2)cc1 ZINC001208933228 1133965671 /nfs/dbraw/zinc/96/56/71/1133965671.db2.gz UYVNHVLIQBSYMK-SFHVURJKSA-N 2 1 284.447 3.527 20 0 CHADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC34CC4)C2)cc1 ZINC001208933228 1133965675 /nfs/dbraw/zinc/96/56/75/1133965675.db2.gz UYVNHVLIQBSYMK-SFHVURJKSA-N 2 1 284.447 3.527 20 0 CHADMP C[N@@H+](CC1CCC1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208935480 1133966537 /nfs/dbraw/zinc/96/65/37/1133966537.db2.gz KFGNLGLOKMXINP-LJQANCHMSA-N 2 1 286.463 3.631 20 0 CHADMP C[NH+](CC1CCC1)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208935480 1133966541 /nfs/dbraw/zinc/96/65/41/1133966541.db2.gz KFGNLGLOKMXINP-LJQANCHMSA-N 2 1 286.463 3.631 20 0 CHADMP C[NH+](CC1CCC1)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208935480 1133966547 /nfs/dbraw/zinc/96/65/47/1133966547.db2.gz KFGNLGLOKMXINP-LJQANCHMSA-N 2 1 286.463 3.631 20 0 CHADMP CCC[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208946365 1133966847 /nfs/dbraw/zinc/96/68/47/1133966847.db2.gz HAUSVYALCSACHC-IBGZPJMESA-N 2 1 286.463 3.631 20 0 CHADMP CCC[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208946365 1133966851 /nfs/dbraw/zinc/96/68/51/1133966851.db2.gz HAUSVYALCSACHC-IBGZPJMESA-N 2 1 286.463 3.631 20 0 CHADMP CCC[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208946365 1133966856 /nfs/dbraw/zinc/96/68/56/1133966856.db2.gz HAUSVYALCSACHC-IBGZPJMESA-N 2 1 286.463 3.631 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3C[C@@H]4CCCC[C@H]4C3)C2)cc1 ZINC001208943824 1133967936 /nfs/dbraw/zinc/96/79/36/1133967936.db2.gz VKWPKXKPEJBACJ-UFYCRDLUSA-N 2 1 298.474 3.631 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001209287226 1134001141 /nfs/dbraw/zinc/00/11/41/1134001141.db2.gz ONQYVLRSOLAVLR-KKSLTYSGSA-N 2 1 278.484 3.787 20 0 CHADMP CC/C=C\CCCCCC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001209287226 1134001146 /nfs/dbraw/zinc/00/11/46/1134001146.db2.gz ONQYVLRSOLAVLR-KKSLTYSGSA-N 2 1 278.484 3.787 20 0 CHADMP CC/C=C\CCCCCC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001209287226 1134001149 /nfs/dbraw/zinc/00/11/49/1134001149.db2.gz ONQYVLRSOLAVLR-KKSLTYSGSA-N 2 1 278.484 3.787 20 0 CHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C[C@@H]3C[C@H]3C)C[C@@H]21 ZINC001209415016 1134014153 /nfs/dbraw/zinc/01/41/53/1134014153.db2.gz ODTANRJFLRVJLO-KRUJCJHPSA-N 2 1 298.474 3.753 20 0 CHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](C[C@@H]3C[C@H]3C)C[C@@H]21 ZINC001209415016 1134014161 /nfs/dbraw/zinc/01/41/61/1134014161.db2.gz ODTANRJFLRVJLO-KRUJCJHPSA-N 2 1 298.474 3.753 20 0 CHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](C[C@@H]3C[C@H]3C)C[C@@H]21 ZINC001209415016 1134014167 /nfs/dbraw/zinc/01/41/67/1134014167.db2.gz ODTANRJFLRVJLO-KRUJCJHPSA-N 2 1 298.474 3.753 20 0 CHADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@H]2C[C@@H]2C)CC1 ZINC001209420356 1134015119 /nfs/dbraw/zinc/01/51/19/1134015119.db2.gz HZPZAWJPSRFECO-FUHWJXTLSA-N 2 1 286.463 3.629 20 0 CHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C[C@H]3C[C@H]3C)C[C@@H]21 ZINC001209415017 1134015351 /nfs/dbraw/zinc/01/53/51/1134015351.db2.gz ODTANRJFLRVJLO-XEGUMIITSA-N 2 1 298.474 3.753 20 0 CHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](C[C@H]3C[C@H]3C)C[C@@H]21 ZINC001209415017 1134015355 /nfs/dbraw/zinc/01/53/55/1134015355.db2.gz ODTANRJFLRVJLO-XEGUMIITSA-N 2 1 298.474 3.753 20 0 CHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](C[C@H]3C[C@H]3C)C[C@@H]21 ZINC001209415017 1134015361 /nfs/dbraw/zinc/01/53/61/1134015361.db2.gz ODTANRJFLRVJLO-XEGUMIITSA-N 2 1 298.474 3.753 20 0 CHADMP c1cc2cc[nH+]cc2c(Nc2cc[nH+]c(N3CCCC3)c2)c1 ZINC001210224300 1134171865 /nfs/dbraw/zinc/17/18/65/1134171865.db2.gz JMBBKLQAJJNZFQ-UHFFFAOYSA-N 2 1 290.370 3.974 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CC[NH2+][C@H](C)CC1 ZINC001210474098 1134225178 /nfs/dbraw/zinc/22/51/78/1134225178.db2.gz DTLAPMCQWCEONY-YIEVGGLXSA-N 2 1 252.446 3.587 20 0 CHADMP COc1cc[nH+]c(Nc2ccc(C[NH2+]CC(C)C)cc2)c1 ZINC001215742754 1134671168 /nfs/dbraw/zinc/67/11/68/1134671168.db2.gz LZULHWWQMDBZQO-UHFFFAOYSA-N 2 1 285.391 3.579 20 0 CHADMP CC1(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000310014603 1135119064 /nfs/dbraw/zinc/11/90/64/1135119064.db2.gz MVJALQXJLXDERS-SFHVURJKSA-N 2 1 286.463 3.678 20 0 CHADMP CCC[C@H](C)C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222153883 1135200667 /nfs/dbraw/zinc/20/06/67/1135200667.db2.gz CAAOEKWCQMBBFG-DLBZAZTESA-N 2 1 266.473 3.668 20 0 CHADMP c1cc(C2CCC2)ccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222154985 1135200816 /nfs/dbraw/zinc/20/08/16/1135200816.db2.gz VBWOMLINVJGQGZ-LJQANCHMSA-N 2 1 284.447 3.530 20 0 CHADMP Fc1ccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222162010 1135203251 /nfs/dbraw/zinc/20/32/51/1135203251.db2.gz VZWPHVQIYLUPNC-GOSISDBHSA-N 2 1 290.426 3.572 20 0 CHADMP c1c2ccccc2sc1C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222238000 1135212547 /nfs/dbraw/zinc/21/25/47/1135212547.db2.gz YCFCUAAFBCVACX-QGZVFWFLSA-N 2 1 286.444 3.619 20 0 CHADMP c1c2ccccc2sc1C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222238000 1135212550 /nfs/dbraw/zinc/21/25/50/1135212550.db2.gz YCFCUAAFBCVACX-QGZVFWFLSA-N 2 1 286.444 3.619 20 0 CHADMP c1c2ccccc2oc1C[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001222292559 1135219930 /nfs/dbraw/zinc/21/99/30/1135219930.db2.gz FTORUEHMRGDVRM-UHFFFAOYSA-N 2 1 284.403 3.541 20 0 CHADMP Fc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)cc1Cl ZINC001222307984 1135221302 /nfs/dbraw/zinc/22/13/02/1135221302.db2.gz DFNDMXRAKVGQGZ-INIZCTEOSA-N 2 1 296.817 3.587 20 0 CHADMP Fc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc1Cl ZINC001222307984 1135221305 /nfs/dbraw/zinc/22/13/05/1135221305.db2.gz DFNDMXRAKVGQGZ-INIZCTEOSA-N 2 1 296.817 3.587 20 0 CHADMP Fc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c(Cl)c1 ZINC001222308119 1135221656 /nfs/dbraw/zinc/22/16/56/1135221656.db2.gz HBLWZEVOGNSPMP-MRXNPFEDSA-N 2 1 296.817 3.587 20 0 CHADMP Fc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c(Cl)c1 ZINC001222308119 1135221663 /nfs/dbraw/zinc/22/16/63/1135221663.db2.gz HBLWZEVOGNSPMP-MRXNPFEDSA-N 2 1 296.817 3.587 20 0 CHADMP c1ccc2cc(C[N@H+]3CCC[C@@]34CCC[NH2+]CC4)ccc2c1 ZINC001222308362 1135222080 /nfs/dbraw/zinc/22/20/80/1135222080.db2.gz IZUXHXGTQIJXPP-HXUWFJFHSA-N 2 1 294.442 3.948 20 0 CHADMP CC1=CC[C@H](CC[N@H+]2CCC[C@]23CCC[NH2+]CC3)C1(C)C ZINC001222307846 1135222240 /nfs/dbraw/zinc/22/22/40/1135222240.db2.gz CFNYKMHNJDPWSF-MJGOQNOKSA-N 2 1 290.495 3.977 20 0 CHADMP Cc1cccc2c(C[N@H+]3CCC[C@]34CCC[NH2+]CC4)c[nH]c21 ZINC001222310340 1135222653 /nfs/dbraw/zinc/22/26/53/1135222653.db2.gz TVSPFUCXNULKNN-IBGZPJMESA-N 2 1 297.446 3.584 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222309231 1135222984 /nfs/dbraw/zinc/22/29/84/1135222984.db2.gz OOHIGNHMIOPCHS-ROUUACIJSA-N 2 1 278.484 3.977 20 0 CHADMP Cc1ccc(Cl)cc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222321563 1135225063 /nfs/dbraw/zinc/22/50/63/1135225063.db2.gz ZAZRULKRXNPYGM-KRWDZBQOSA-N 2 1 292.854 3.757 20 0 CHADMP c1cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c2cccccc1-2 ZINC001222321435 1135225169 /nfs/dbraw/zinc/22/51/69/1135225169.db2.gz WAJSHBWXHKRSLG-FQEVSTJZSA-N 2 1 294.442 3.900 20 0 CHADMP Clc1cc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)cs1 ZINC001222316232 1135225585 /nfs/dbraw/zinc/22/55/85/1135225585.db2.gz UUTMWLMFBKNNEO-AWEZNQCLSA-N 2 1 284.856 3.510 20 0 CHADMP Clc1cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cs1 ZINC001222316232 1135225588 /nfs/dbraw/zinc/22/55/88/1135225588.db2.gz UUTMWLMFBKNNEO-AWEZNQCLSA-N 2 1 284.856 3.510 20 0 CHADMP C[C@@H](C[NH+]1CC2(C1)CCC[NH2+]C2)c1cccc2ccccc21 ZINC001222335628 1135227917 /nfs/dbraw/zinc/22/79/17/1135227917.db2.gz ZDCGURBFSZSRJA-INIZCTEOSA-N 2 1 294.442 3.629 20 0 CHADMP CC(C)(CC[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC001222347226 1135229695 /nfs/dbraw/zinc/22/96/95/1135229695.db2.gz ZTCDACFUKDWRJT-IBGZPJMESA-N 2 1 286.463 3.572 20 0 CHADMP CC(C)(CC[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1)c1ccccc1 ZINC001222347226 1135229699 /nfs/dbraw/zinc/22/96/99/1135229699.db2.gz ZTCDACFUKDWRJT-IBGZPJMESA-N 2 1 286.463 3.572 20 0 CHADMP C(CC1CCCCC1)C[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222344843 1135230003 /nfs/dbraw/zinc/23/00/03/1135230003.db2.gz DRHMFACWAPJTKJ-QGZVFWFLSA-N 2 1 264.457 3.565 20 0 CHADMP C(CC1CCCCC1)C[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222344843 1135230007 /nfs/dbraw/zinc/23/00/07/1135230007.db2.gz DRHMFACWAPJTKJ-QGZVFWFLSA-N 2 1 264.457 3.565 20 0 CHADMP C[C@H](CC[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1)CC(C)(C)C ZINC001222345031 1135230151 /nfs/dbraw/zinc/23/01/51/1135230151.db2.gz GYKLXPBVAOPLLQ-WBVHZDCISA-N 2 1 266.473 3.667 20 0 CHADMP C[C@H](CC[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1)CC(C)(C)C ZINC001222345031 1135230153 /nfs/dbraw/zinc/23/01/53/1135230153.db2.gz GYKLXPBVAOPLLQ-WBVHZDCISA-N 2 1 266.473 3.667 20 0 CHADMP CC/C=C\CCCCC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222420474 1135239255 /nfs/dbraw/zinc/23/92/55/1135239255.db2.gz DBDHLWFDAGZMQP-CWIOURORSA-N 2 1 264.457 3.731 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222420474 1135239257 /nfs/dbraw/zinc/23/92/57/1135239257.db2.gz DBDHLWFDAGZMQP-CWIOURORSA-N 2 1 264.457 3.731 20 0 CHADMP Cc1c(C)c(C)c(C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)c(C)c1C ZINC001222470240 1135246257 /nfs/dbraw/zinc/24/62/57/1135246257.db2.gz CAXYYYHEJYMNIW-IBGZPJMESA-N 2 1 286.463 3.557 20 0 CHADMP Cc1c(C)c(C)c(C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)c(C)c1C ZINC001222470240 1135246261 /nfs/dbraw/zinc/24/62/61/1135246261.db2.gz CAXYYYHEJYMNIW-IBGZPJMESA-N 2 1 286.463 3.557 20 0 CHADMP c1ccc2cc(C[NH+]3CCC4(CCC[NH2+]4)CC3)ccc2c1 ZINC001226783815 1135741178 /nfs/dbraw/zinc/74/11/78/1135741178.db2.gz HGSAZENPOZMKGU-UHFFFAOYSA-N 2 1 280.415 3.558 20 0 CHADMP CC(C)=CCC[C@H](C)C[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001226786046 1135741696 /nfs/dbraw/zinc/74/16/96/1135741696.db2.gz UWAOXXTUKXMPNJ-INIZCTEOSA-N 2 1 264.457 3.587 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000353453213 529806902 /nfs/dbraw/zinc/80/69/02/529806902.db2.gz FDMPLUIJUZJSGG-ZSYWTGECSA-N 2 1 284.447 3.526 20 0 CHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc2occc2c1 ZINC000347848210 529930011 /nfs/dbraw/zinc/93/00/11/529930011.db2.gz AXECKKMANZHTGN-KRWDZBQOSA-N 2 1 286.419 3.739 20 0 CHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc2occc2c1 ZINC000347848210 529930012 /nfs/dbraw/zinc/93/00/12/529930012.db2.gz AXECKKMANZHTGN-KRWDZBQOSA-N 2 1 286.419 3.739 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc2occc2c1 ZINC000347848210 529930014 /nfs/dbraw/zinc/93/00/14/529930014.db2.gz AXECKKMANZHTGN-KRWDZBQOSA-N 2 1 286.419 3.739 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc2occc2c1 ZINC000347848210 529930015 /nfs/dbraw/zinc/93/00/15/529930015.db2.gz AXECKKMANZHTGN-KRWDZBQOSA-N 2 1 286.419 3.739 20 0 CHADMP CC[NH+](CC)[C@H](C[NH2+]C1CCCCC1)CC(C)C ZINC000574477939 335023014 /nfs/dbraw/zinc/02/30/14/335023014.db2.gz PDRKFYNFROHQAT-INIZCTEOSA-N 2 1 254.462 3.665 20 0 CHADMP CC1=C[C@@H](C)C[C@@H](C[N@H+](C)C2CC[NH+](C(C)C)CC2)C1 ZINC000574491866 335023776 /nfs/dbraw/zinc/02/37/76/335023776.db2.gz FQMYGDKXLPCOIE-NVXWUHKLSA-N 2 1 278.484 3.783 20 0 CHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000574510635 335024858 /nfs/dbraw/zinc/02/48/58/335024858.db2.gz HYODFZUGYWKLQP-AWEZNQCLSA-N 2 1 274.408 3.780 20 0 CHADMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(F)cc1F ZINC000020143370 171029125 /nfs/dbraw/zinc/02/91/25/171029125.db2.gz DIFPBPAOJGCOIZ-LLVKDONJSA-N 2 1 296.405 3.925 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000020189800 171055274 /nfs/dbraw/zinc/05/52/74/171055274.db2.gz LDPZZCNDSREBEQ-MRXNPFEDSA-N 2 1 290.476 3.688 20 0 CHADMP CCC(CC)[C@@H](C[NH2+]C1CCCCCC1)[NH+](C)C ZINC000021016761 171289883 /nfs/dbraw/zinc/28/98/83/171289883.db2.gz QNYXQXMHTCUFEZ-MRXNPFEDSA-N 2 1 254.462 3.665 20 0 CHADMP C[C@H](C[NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000021812529 171330216 /nfs/dbraw/zinc/33/02/16/171330216.db2.gz UOYWQACWGYAADK-SJORKVTESA-N 2 1 274.452 3.644 20 0 CHADMP Cc1ccccc1[C@H](CC(C)C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344300785 225021641 /nfs/dbraw/zinc/02/16/41/225021641.db2.gz QMIXOOKKONPRAJ-IBGZPJMESA-N 2 1 286.463 3.934 20 0 CHADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)cs2)C1 ZINC000347147858 226060127 /nfs/dbraw/zinc/06/01/27/226060127.db2.gz YVSUWHGIWBPCFA-AWEZNQCLSA-N 2 1 286.444 3.586 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]CCC1CCCCCC1 ZINC000348040045 226405948 /nfs/dbraw/zinc/40/59/48/226405948.db2.gz KKISTZBSDMXOPT-UHFFFAOYSA-N 2 1 277.456 3.922 20 0 CHADMP CC(C)[NH2+]C1CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000171692115 335074772 /nfs/dbraw/zinc/07/47/72/335074772.db2.gz KRUWXHVHKCHOKF-UHFFFAOYSA-N 2 1 288.479 3.947 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000575192474 335078404 /nfs/dbraw/zinc/07/84/04/335078404.db2.gz CRFGSBXEQNDDQY-JYBLJSLWSA-N 2 1 295.430 3.531 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000575192474 335078405 /nfs/dbraw/zinc/07/84/05/335078405.db2.gz CRFGSBXEQNDDQY-JYBLJSLWSA-N 2 1 295.430 3.531 20 0 CHADMP Cc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353679004 228143671 /nfs/dbraw/zinc/14/36/71/228143671.db2.gz FRHKATPLFHUVEH-CGTJXYLNSA-N 2 1 298.430 3.704 20 0 CHADMP CC(C)[C@H](C[NH2+]C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000513006939 260093381 /nfs/dbraw/zinc/09/33/81/260093381.db2.gz GNVJVAKQOLXRDB-KRWDZBQOSA-N 2 1 294.870 3.763 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000037649102 260115303 /nfs/dbraw/zinc/11/53/03/260115303.db2.gz CPWICGKPQTUAFJ-SUMWQHHRSA-N 2 1 292.854 3.865 20 0 CHADMP C[C@H](C[NH2+]Cc1sccc1Cl)C[NH+]1CCCCC1 ZINC000394042141 260186119 /nfs/dbraw/zinc/18/61/19/260186119.db2.gz GANHHQZHUNDMNU-GFCCVEGCSA-N 2 1 286.872 3.613 20 0 CHADMP CCCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000091959926 260267358 /nfs/dbraw/zinc/26/73/58/260267358.db2.gz WPBGIJPNXSSNOQ-NXHRZFHOSA-N 2 1 274.452 3.990 20 0 CHADMP CCCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000091959926 260267360 /nfs/dbraw/zinc/26/73/60/260267360.db2.gz WPBGIJPNXSSNOQ-NXHRZFHOSA-N 2 1 274.452 3.990 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(C)c1 ZINC000088163969 260280579 /nfs/dbraw/zinc/28/05/79/260280579.db2.gz QAIPJTKUGXBJGW-OOKSDGMUSA-N 2 1 286.463 3.969 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC000088163969 260280580 /nfs/dbraw/zinc/28/05/80/260280580.db2.gz QAIPJTKUGXBJGW-OOKSDGMUSA-N 2 1 286.463 3.969 20 0 CHADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000128430185 260375309 /nfs/dbraw/zinc/37/53/09/260375309.db2.gz ILYUVEVUDZDXAS-AWEZNQCLSA-N 2 1 288.357 3.511 20 0 CHADMP C[C@@H]1C[C@@H](NCc2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000090721680 260393067 /nfs/dbraw/zinc/39/30/67/260393067.db2.gz CUGXWXYEOVOHSJ-YGRLFVJLSA-N 2 1 287.234 3.566 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000090721680 260393070 /nfs/dbraw/zinc/39/30/70/260393070.db2.gz CUGXWXYEOVOHSJ-YGRLFVJLSA-N 2 1 287.234 3.566 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000090721680 260393071 /nfs/dbraw/zinc/39/30/71/260393071.db2.gz CUGXWXYEOVOHSJ-YGRLFVJLSA-N 2 1 287.234 3.566 20 0 CHADMP C[C@@H]1C[C@@H](NCc2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000090720591 260393297 /nfs/dbraw/zinc/39/32/97/260393297.db2.gz CFAHTQADZFZYMD-PWSUYJOCSA-N 2 1 287.234 3.566 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000090720591 260393301 /nfs/dbraw/zinc/39/33/01/260393301.db2.gz CFAHTQADZFZYMD-PWSUYJOCSA-N 2 1 287.234 3.566 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000090720591 260393302 /nfs/dbraw/zinc/39/33/02/260393302.db2.gz CFAHTQADZFZYMD-PWSUYJOCSA-N 2 1 287.234 3.566 20 0 CHADMP Cc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C ZINC000130246512 260393971 /nfs/dbraw/zinc/39/39/71/260393971.db2.gz YPHOIXGKOZGCRR-OKZBNKHCSA-N 2 1 286.463 3.889 20 0 CHADMP CS[C@@H](C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000090725417 260466942 /nfs/dbraw/zinc/46/69/42/260466942.db2.gz MKAMMSBBDOIBJM-STQMWFEESA-N 2 1 289.448 3.583 20 0 CHADMP Cc1cccc([C@@H](C)[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000173692034 261167949 /nfs/dbraw/zinc/16/79/49/261167949.db2.gz YUIKUJOOBSWCLN-MRXNPFEDSA-N 2 1 297.446 3.744 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(SC)c(F)c2)CC1 ZINC000159286125 261182899 /nfs/dbraw/zinc/18/28/99/261182899.db2.gz WGSOAUIVAZWUJR-GFCCVEGCSA-N 2 1 296.455 3.683 20 0 CHADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000518769905 261513933 /nfs/dbraw/zinc/51/39/33/261513933.db2.gz GYNLPJRANJSKFO-DTWKUNHWSA-N 2 1 294.748 3.574 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000186407700 262092014 /nfs/dbraw/zinc/09/20/14/262092014.db2.gz PSWDKZLYHQOKLW-GOSISDBHSA-N 2 1 298.434 3.508 20 0 CHADMP COc1cccc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000019913094 262205947 /nfs/dbraw/zinc/20/59/47/262205947.db2.gz FDXRLHVYSHFSOA-JKSUJKDBSA-N 2 1 290.451 3.610 20 0 CHADMP CCC[C@@H](C)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000020088939 262228146 /nfs/dbraw/zinc/22/81/46/262228146.db2.gz LJHNBBBBZBKXKU-MRXNPFEDSA-N 2 1 274.452 3.677 20 0 CHADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(C)c1 ZINC000414202502 262818207 /nfs/dbraw/zinc/81/82/07/262818207.db2.gz YWUCQRDQTBPMFG-AEFFLSMTSA-N 2 1 274.452 3.768 20 0 CHADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(Sc3ccccc3)cc2)C1 ZINC000414648375 263020951 /nfs/dbraw/zinc/02/09/51/263020951.db2.gz BBGWMWUWNDQAQT-INIZCTEOSA-N 2 1 298.455 3.618 20 0 CHADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC1CCC(c2ccccc2)CC1 ZINC000414661607 263023746 /nfs/dbraw/zinc/02/37/46/263023746.db2.gz OXVFWZMKFASTBX-FXQQTDPRSA-N 2 1 286.463 3.630 20 0 CHADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2ccc3ccccc3c2)CC[NH2+]1 ZINC000414677397 263030160 /nfs/dbraw/zinc/03/01/60/263030160.db2.gz JBINGTJNEXSGNI-NVXWUHKLSA-N 2 1 282.431 3.660 20 0 CHADMP C[C@@H]1C[C@H](C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)CC[NH2+]1 ZINC000414758493 263039755 /nfs/dbraw/zinc/03/97/55/263039755.db2.gz CUJGXXUWOXFFSI-CVYSASLGSA-N 2 1 298.474 3.785 20 0 CHADMP c1ccc(C2CCC(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)CC2)cc1 ZINC000414777015 263044880 /nfs/dbraw/zinc/04/48/80/263044880.db2.gz XJMRWLKNDFGCQF-PEVDHWGLSA-N 2 1 298.474 3.644 20 0 CHADMP c1ccc(C2CCC(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)CC2)cc1 ZINC000414777015 263044881 /nfs/dbraw/zinc/04/48/81/263044881.db2.gz XJMRWLKNDFGCQF-PEVDHWGLSA-N 2 1 298.474 3.644 20 0 CHADMP C[C@H](CC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000414782235 263045897 /nfs/dbraw/zinc/04/58/97/263045897.db2.gz OAFOLSCBYKOQOT-NEWSRXKRSA-N 2 1 286.463 3.502 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CCc1ccc(Cl)s1 ZINC000414814210 263053414 /nfs/dbraw/zinc/05/34/14/263053414.db2.gz NLICMMDBTSHULN-RYUDHWBXSA-N 2 1 288.888 3.830 20 0 CHADMP CCCC[C@@H](C[NH3+])NCc1cc2ccccc2s1 ZINC000414819608 263054475 /nfs/dbraw/zinc/05/44/75/263054475.db2.gz ZCQYIPPBKJYLLQ-ZDUSSCGKSA-N 2 1 262.422 3.508 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc2ccccc2s1 ZINC000414819608 263054476 /nfs/dbraw/zinc/05/44/76/263054476.db2.gz ZCQYIPPBKJYLLQ-ZDUSSCGKSA-N 2 1 262.422 3.508 20 0 CHADMP CCCC[C@H](C[NH3+])NCc1cc2ccccc2s1 ZINC000414819605 263054701 /nfs/dbraw/zinc/05/47/01/263054701.db2.gz ZCQYIPPBKJYLLQ-CYBMUJFWSA-N 2 1 262.422 3.508 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+]Cc1cc2ccccc2s1 ZINC000414819605 263054702 /nfs/dbraw/zinc/05/47/02/263054702.db2.gz ZCQYIPPBKJYLLQ-CYBMUJFWSA-N 2 1 262.422 3.508 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+]CCCc1c(F)cccc1Cl ZINC000414818800 263054833 /nfs/dbraw/zinc/05/48/33/263054833.db2.gz WOTICILPLGASJZ-GFCCVEGCSA-N 2 1 286.822 3.519 20 0 CHADMP Cc1ccc2cc(C[NH2+][C@@H](C[NH3+])C3CCCCC3)ccc2n1 ZINC000414833425 263056666 /nfs/dbraw/zinc/05/66/66/263056666.db2.gz FQLNAGAGIVTFPT-IBGZPJMESA-N 2 1 297.446 3.540 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000282997865 263080270 /nfs/dbraw/zinc/08/02/70/263080270.db2.gz GAAOFOSRQFDAPP-CAMMJAKZSA-N 2 1 286.463 3.500 20 0 CHADMP CCn1c2ccccc2c2cc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])ccc21 ZINC000415006645 263218519 /nfs/dbraw/zinc/21/85/19/263218519.db2.gz KUFHYLQQAPKPCE-KGLIPLIRSA-N 2 1 295.430 3.640 20 0 CHADMP FC(F)c1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415034768 263257148 /nfs/dbraw/zinc/25/71/48/263257148.db2.gz DBMGOTMTJCXNAY-CVEARBPZSA-N 2 1 294.389 3.588 20 0 CHADMP c1cc(C2CC2)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415041071 263257408 /nfs/dbraw/zinc/25/74/08/263257408.db2.gz KVFUGSVVCPMQFV-RBUKOAKNSA-N 2 1 284.447 3.528 20 0 CHADMP [NH3+]C[C@H]([NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1)C1CCCC1 ZINC000415070777 263261247 /nfs/dbraw/zinc/26/12/47/263261247.db2.gz VNGZZVWREACDIE-WDSOQIARSA-N 2 1 286.463 3.505 20 0 CHADMP CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000425365381 264210870 /nfs/dbraw/zinc/21/08/70/264210870.db2.gz YDHGACBZNLSCMM-DLBZAZTESA-N 2 1 292.492 3.510 20 0 CHADMP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000320772666 265032211 /nfs/dbraw/zinc/03/22/11/265032211.db2.gz YQVLWRBWZGEFGP-CYBMUJFWSA-N 2 1 297.402 3.851 20 0 CHADMP CC(C)C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000093978101 265206017 /nfs/dbraw/zinc/20/60/17/265206017.db2.gz VVEXBXDTJRSNSK-JQHSSLGASA-N 2 1 274.452 3.846 20 0 CHADMP CC(C)C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000093978101 265206020 /nfs/dbraw/zinc/20/60/20/265206020.db2.gz VVEXBXDTJRSNSK-JQHSSLGASA-N 2 1 274.452 3.846 20 0 CHADMP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cc(F)cc(F)c1 ZINC000094826287 265260637 /nfs/dbraw/zinc/26/06/37/265260637.db2.gz JFZLWPZVHYLROB-AWEZNQCLSA-N 2 1 296.405 3.737 20 0 CHADMP Cc1ccccc1[C@@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000359215561 266551934 /nfs/dbraw/zinc/55/19/34/266551934.db2.gz KCKKLUYJUPCEBB-SFHVURJKSA-N 2 1 272.436 3.522 20 0 CHADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+]C1CCC3(CC3)CC1)C2 ZINC000362912504 267059388 /nfs/dbraw/zinc/05/93/88/267059388.db2.gz GPOJNCWOEKQLKV-UHFFFAOYSA-N 2 1 298.474 3.747 20 0 CHADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+]C1CCC3(CC3)CC1)C2 ZINC000362912504 267059390 /nfs/dbraw/zinc/05/93/90/267059390.db2.gz GPOJNCWOEKQLKV-UHFFFAOYSA-N 2 1 298.474 3.747 20 0 CHADMP C(C1CCCC1)[N@@H+]1CC[C@@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000362929658 267062377 /nfs/dbraw/zinc/06/23/77/267062377.db2.gz GBKNTSRLTIMLLV-QGZVFWFLSA-N 2 1 276.468 3.563 20 0 CHADMP C(C1CCCC1)[N@H+]1CC[C@@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000362929658 267062380 /nfs/dbraw/zinc/06/23/80/267062380.db2.gz GBKNTSRLTIMLLV-QGZVFWFLSA-N 2 1 276.468 3.563 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000368455992 267174236 /nfs/dbraw/zinc/17/42/36/267174236.db2.gz WEFHQERQLUKSGK-WCFLWFBJSA-N 2 1 298.883 3.577 20 0 CHADMP Cc1cc2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)oc2cc1C ZINC000370097115 267290898 /nfs/dbraw/zinc/29/08/98/267290898.db2.gz KGSIAZCHRIEAMH-DLBZAZTESA-N 2 1 298.430 3.766 20 0 CHADMP Cc1cc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)oc2cc1C ZINC000370097115 267290899 /nfs/dbraw/zinc/29/08/99/267290899.db2.gz KGSIAZCHRIEAMH-DLBZAZTESA-N 2 1 298.430 3.766 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)[C@H](C)C1 ZINC000531694533 328025252 /nfs/dbraw/zinc/02/52/52/328025252.db2.gz BJHUIJYUUWVDJZ-QAPCUYQASA-N 2 1 288.479 3.804 20 0 CHADMP Cc1ccc([C@H]2CCCCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)o1 ZINC000534011370 328032751 /nfs/dbraw/zinc/03/27/51/328032751.db2.gz QZBPSALFZOGBCD-DLBZAZTESA-N 2 1 290.451 3.989 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000534019178 328033132 /nfs/dbraw/zinc/03/31/32/328033132.db2.gz LHIMOLRRRIFXSE-DLBZAZTESA-N 2 1 274.452 3.848 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1C(C)(C)C ZINC000534353150 328048375 /nfs/dbraw/zinc/04/83/75/328048375.db2.gz PNKIVLVYJXORCQ-JKSUJKDBSA-N 2 1 288.479 3.977 20 0 CHADMP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000401783249 328061951 /nfs/dbraw/zinc/06/19/51/328061951.db2.gz RRTWXNWNQUXQBC-CYBMUJFWSA-N 2 1 297.402 3.622 20 0 CHADMP CC[N@@H+](C/C=C/c1ccc(F)cc1)CCC[NH+]1CCCC1 ZINC000571091297 328085915 /nfs/dbraw/zinc/08/59/15/328085915.db2.gz RMOMQPDGGDVWIF-FNORWQNLSA-N 2 1 290.426 3.647 20 0 CHADMP CC[N@H+](C/C=C/c1ccc(F)cc1)CCC[NH+]1CCCC1 ZINC000571091297 328085916 /nfs/dbraw/zinc/08/59/16/328085916.db2.gz RMOMQPDGGDVWIF-FNORWQNLSA-N 2 1 290.426 3.647 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccoc2C)CC1 ZINC000414366402 328155901 /nfs/dbraw/zinc/15/59/01/328155901.db2.gz BQBAICBFGZBGPT-UHFFFAOYSA-N 2 1 278.440 3.532 20 0 CHADMP c1ccc2c(c1)cccc2C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414790005 328226387 /nfs/dbraw/zinc/22/63/87/328226387.db2.gz ZETPHNPESNUIMA-ROUUACIJSA-N 2 1 294.442 3.661 20 0 CHADMP [NH3+]C[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C1CCCCC1 ZINC000414832433 328233194 /nfs/dbraw/zinc/23/31/94/328233194.db2.gz DMSNISZRQDKQHY-IHRRRGAJSA-N 2 1 292.389 3.605 20 0 CHADMP [NH3+]C1(C[NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CCC1 ZINC000414873969 328246642 /nfs/dbraw/zinc/24/66/42/328246642.db2.gz AHFVDXHGVCVTTN-UHFFFAOYSA-N 2 1 290.407 3.525 20 0 CHADMP Cc1cccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c1C ZINC000048463007 328313573 /nfs/dbraw/zinc/31/35/73/328313573.db2.gz BLLHRBITNWBAPJ-MRXNPFEDSA-N 2 1 274.452 3.658 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000037210991 326841203 /nfs/dbraw/zinc/84/12/03/326841203.db2.gz SUHOYDOKUDDFAE-OAHLLOKOSA-N 2 1 296.455 3.684 20 0 CHADMP Cc1cccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1C ZINC000506388859 332771903 /nfs/dbraw/zinc/77/19/03/332771903.db2.gz XONWIPUFEKTLDS-UHFFFAOYSA-N 2 1 286.463 3.754 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000255635203 327001105 /nfs/dbraw/zinc/00/11/05/327001105.db2.gz KHMBAGQJFRIFDR-KEGWNNHHSA-N 2 1 290.426 3.503 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000255635203 327001106 /nfs/dbraw/zinc/00/11/06/327001106.db2.gz KHMBAGQJFRIFDR-KEGWNNHHSA-N 2 1 290.426 3.503 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCCCC1 ZINC000088163986 327016781 /nfs/dbraw/zinc/01/67/81/327016781.db2.gz IXQMZCWFCQLLDE-LNRIEFBSSA-N 2 1 264.457 3.560 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC000088163986 327016782 /nfs/dbraw/zinc/01/67/82/327016782.db2.gz IXQMZCWFCQLLDE-LNRIEFBSSA-N 2 1 264.457 3.560 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000262035459 327075741 /nfs/dbraw/zinc/07/57/41/327075741.db2.gz STFUFFOYWAOFKT-IPMKNSEASA-N 2 1 298.405 3.704 20 0 CHADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2CCC2CCCCCC2)C1 ZINC000558422934 327093158 /nfs/dbraw/zinc/09/31/58/327093158.db2.gz GRXROEPDEUEJLI-MSOLQXFVSA-N 2 1 278.484 3.763 20 0 CHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2CCC2CCCCCC2)C1 ZINC000558422934 327093159 /nfs/dbraw/zinc/09/31/59/327093159.db2.gz GRXROEPDEUEJLI-MSOLQXFVSA-N 2 1 278.484 3.763 20 0 CHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2CCC2CCCCCC2)C1 ZINC000558422934 327093161 /nfs/dbraw/zinc/09/31/61/327093161.db2.gz GRXROEPDEUEJLI-MSOLQXFVSA-N 2 1 278.484 3.763 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261567165 327142421 /nfs/dbraw/zinc/14/24/21/327142421.db2.gz HPUOHNFHOKPNHY-MCIONIFRSA-N 2 1 280.843 3.721 20 0 CHADMP C[NH2+]C1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000261596448 327144085 /nfs/dbraw/zinc/14/40/85/327144085.db2.gz AGJULGXTTABBCP-UHFFFAOYSA-N 2 1 280.415 3.537 20 0 CHADMP Cc1sccc1C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000559245266 327149857 /nfs/dbraw/zinc/14/98/57/327149857.db2.gz WIXZPVALBJQBNJ-GASCZTMLSA-N 2 1 294.508 3.904 20 0 CHADMP Cc1ccccc1[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000091268712 327185308 /nfs/dbraw/zinc/18/53/08/327185308.db2.gz XKJDLXGWUIUEFT-IBGZPJMESA-N 2 1 284.447 3.663 20 0 CHADMP C([NH2+][C@H]1CC[C@H]1C1CC1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000554376743 327216965 /nfs/dbraw/zinc/21/69/65/327216965.db2.gz VBJLFEVAQZMRAM-SQNIBIBYSA-N 2 1 276.468 3.562 20 0 CHADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc3ccccc32)C1 ZINC000559504527 327251243 /nfs/dbraw/zinc/25/12/43/327251243.db2.gz FOECVVVSBUZJJK-QUCCMNQESA-N 2 1 294.442 3.756 20 0 CHADMP Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000559732858 327258619 /nfs/dbraw/zinc/25/86/19/327258619.db2.gz AIKGWGKETQYMAW-UXHICEINSA-N 2 1 294.442 3.920 20 0 CHADMP Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000559732858 327258621 /nfs/dbraw/zinc/25/86/21/327258621.db2.gz AIKGWGKETQYMAW-UXHICEINSA-N 2 1 294.442 3.920 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]CC2(C)CCCC2)C[C@@H]1c1ccccc1 ZINC000559788075 327261400 /nfs/dbraw/zinc/26/14/00/327261400.db2.gz CKXITWXWKIROOA-ZWKOTPCHSA-N 2 1 286.463 3.992 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)CCCC2)C[C@@H]1c1ccccc1 ZINC000559788075 327261402 /nfs/dbraw/zinc/26/14/02/327261402.db2.gz CKXITWXWKIROOA-ZWKOTPCHSA-N 2 1 286.463 3.992 20 0 CHADMP CCC1CC([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000560252924 327293996 /nfs/dbraw/zinc/29/39/96/327293996.db2.gz ZVAJHFQCQXBHFP-UHFFFAOYSA-N 2 1 286.463 3.738 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[C@H]2C(C)C)c1 ZINC000560530287 327319739 /nfs/dbraw/zinc/31/97/39/327319739.db2.gz QBYJVEUDIXRDDR-ROUUACIJSA-N 2 1 274.452 3.663 20 0 CHADMP CC(C)=CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000560543041 327322137 /nfs/dbraw/zinc/32/21/37/327322137.db2.gz VUGIYSLSBNKMDW-UHFFFAOYSA-N 2 1 298.474 3.941 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000560581236 327327709 /nfs/dbraw/zinc/32/77/09/327327709.db2.gz GPTMVXNFWVCTGA-DSLXNQLJSA-N 2 1 286.463 3.643 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000560581236 327327710 /nfs/dbraw/zinc/32/77/10/327327710.db2.gz GPTMVXNFWVCTGA-DSLXNQLJSA-N 2 1 286.463 3.643 20 0 CHADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000560594617 327329021 /nfs/dbraw/zinc/32/90/21/327329021.db2.gz FOMNECPNWZIVGD-KURKYZTESA-N 2 1 278.484 3.621 20 0 CHADMP CC[C@@H]1CCC[C@@H](C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)C1 ZINC000560594617 327329022 /nfs/dbraw/zinc/32/90/22/327329022.db2.gz FOMNECPNWZIVGD-KURKYZTESA-N 2 1 278.484 3.621 20 0 CHADMP CC[C@@H]1CCC[C@@H](C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000560594617 327329023 /nfs/dbraw/zinc/32/90/23/327329023.db2.gz FOMNECPNWZIVGD-KURKYZTESA-N 2 1 278.484 3.621 20 0 CHADMP C[C@@H](CC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000560594068 327329205 /nfs/dbraw/zinc/32/92/05/327329205.db2.gz FWHHWDVCZJMBNF-HKUYNNGSSA-N 2 1 286.463 3.598 20 0 CHADMP C[C@@H](CC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000560594068 327329207 /nfs/dbraw/zinc/32/92/07/327329207.db2.gz FWHHWDVCZJMBNF-HKUYNNGSSA-N 2 1 286.463 3.598 20 0 CHADMP C[C@@H](CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000560594068 327329208 /nfs/dbraw/zinc/32/92/08/327329208.db2.gz FWHHWDVCZJMBNF-HKUYNNGSSA-N 2 1 286.463 3.598 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC(C)=C[C@H](C)C2)[C@@H](C)C1 ZINC000583413160 327350906 /nfs/dbraw/zinc/35/09/06/327350906.db2.gz PBHMHTRJERHYDR-DKIMLUQUSA-N 2 1 278.484 3.641 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC(C)=C[C@H](C)C2)[C@@H](C)C1 ZINC000583413160 327350907 /nfs/dbraw/zinc/35/09/07/327350907.db2.gz PBHMHTRJERHYDR-DKIMLUQUSA-N 2 1 278.484 3.641 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC(C)=C[C@H](C)C2)[C@@H](C)C1 ZINC000583413160 327350909 /nfs/dbraw/zinc/35/09/09/327350909.db2.gz PBHMHTRJERHYDR-DKIMLUQUSA-N 2 1 278.484 3.641 20 0 CHADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261617665 327359602 /nfs/dbraw/zinc/35/96/02/327359602.db2.gz UFYLVRFYPWAYJS-YOEHRIQHSA-N 2 1 260.425 3.542 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000377392781 329013780 /nfs/dbraw/zinc/01/37/80/329013780.db2.gz QOYOGEMQCYSRFI-IAGOWNOFSA-N 2 1 278.415 3.693 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2ccccc2n1 ZINC000360038259 329070320 /nfs/dbraw/zinc/07/03/20/329070320.db2.gz UBRRFCATMJLZBB-UAGQMJEPSA-N 2 1 295.430 3.512 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2ccccc2n1 ZINC000360038259 329070321 /nfs/dbraw/zinc/07/03/21/329070321.db2.gz UBRRFCATMJLZBB-UAGQMJEPSA-N 2 1 295.430 3.512 20 0 CHADMP CCC(C)(C)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000394584419 329127626 /nfs/dbraw/zinc/12/76/26/329127626.db2.gz FRDQIUHUECGSMY-AEFFLSMTSA-N 2 1 288.479 3.923 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)C1CC1 ZINC000177345700 329186190 /nfs/dbraw/zinc/18/61/90/329186190.db2.gz QASZJJDVFWOXDI-HUUCEWRRSA-N 2 1 272.436 3.600 20 0 CHADMP CCc1nc(C)c([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)s1 ZINC000178409203 329199707 /nfs/dbraw/zinc/19/97/07/329199707.db2.gz DIASZVKZGWIPAB-CYBMUJFWSA-N 2 1 295.496 3.541 20 0 CHADMP CCc1nc(C)c([C@H](C)[NH2+]CCC[NH+]2CCCCC2)s1 ZINC000178409212 329199816 /nfs/dbraw/zinc/19/98/16/329199816.db2.gz DIASZVKZGWIPAB-ZDUSSCGKSA-N 2 1 295.496 3.541 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000178786651 329200707 /nfs/dbraw/zinc/20/07/07/329200707.db2.gz SQKPPHZJCMTSQO-GOSISDBHSA-N 2 1 297.446 3.984 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000178698057 329202494 /nfs/dbraw/zinc/20/24/94/329202494.db2.gz DTZLSKSFWGUWQJ-QWRGUYRKSA-N 2 1 297.855 3.893 20 0 CHADMP Cc1ccc(C)c([C@H]2CCC[N@H+]2CCCc2c[nH+]cn2C)c1 ZINC000521455536 329205336 /nfs/dbraw/zinc/20/53/36/329205336.db2.gz HTXOFNNPMKPLBP-LJQANCHMSA-N 2 1 297.446 3.807 20 0 CHADMP Cc1ccc(C)c([C@H]2CCC[N@@H+]2CCCc2c[nH+]cn2C)c1 ZINC000521455536 329205338 /nfs/dbraw/zinc/20/53/38/329205338.db2.gz HTXOFNNPMKPLBP-LJQANCHMSA-N 2 1 297.446 3.807 20 0 CHADMP C[C@@H](CCC1CC1)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000469792250 329243907 /nfs/dbraw/zinc/24/39/07/329243907.db2.gz WNINQMOPJBXRDQ-INIZCTEOSA-N 2 1 274.452 3.677 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000183185198 329245537 /nfs/dbraw/zinc/24/55/37/329245537.db2.gz PJCPGKAVYNRHDI-HRCADAONSA-N 2 1 290.451 3.892 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000183185198 329245538 /nfs/dbraw/zinc/24/55/38/329245538.db2.gz PJCPGKAVYNRHDI-HRCADAONSA-N 2 1 290.451 3.892 20 0 CHADMP C(C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)CC1CCCCC1 ZINC000395150360 329281469 /nfs/dbraw/zinc/28/14/69/329281469.db2.gz HXWPDUMULYOMOL-IAGOWNOFSA-N 2 1 264.457 3.563 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000583034585 329305709 /nfs/dbraw/zinc/30/57/09/329305709.db2.gz IUHPFSKWXMEHIO-OAHLLOKOSA-N 2 1 263.429 3.530 20 0 CHADMP Cc1occc1CNCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000321246244 329333340 /nfs/dbraw/zinc/33/33/40/329333340.db2.gz NRRHAJUUEXGFCU-OAHLLOKOSA-N 2 1 286.419 3.588 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1OC ZINC000246834430 329871310 /nfs/dbraw/zinc/87/13/10/329871310.db2.gz BGOFVSHJUGRCOK-INMHGKMJSA-N 2 1 290.451 3.609 20 0 CHADMP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000246906696 329872504 /nfs/dbraw/zinc/87/25/04/329872504.db2.gz UNNIDHXKXWDCRK-DJIMGWMZSA-N 2 1 277.456 3.776 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@H](C(C)C)[C@@H](C)C1 ZINC000509977353 332887429 /nfs/dbraw/zinc/88/74/29/332887429.db2.gz NHQMGGMYVMCGEI-USXIJHARSA-N 2 1 277.456 3.632 20 0 CHADMP COC1([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CCCC1 ZINC000421821045 330086731 /nfs/dbraw/zinc/08/67/31/330086731.db2.gz PDNREYPFXIXNKF-DLBZAZTESA-N 2 1 296.499 3.578 20 0 CHADMP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379626051 330143384 /nfs/dbraw/zinc/14/33/84/330143384.db2.gz GORKDHFKKBGACY-NEPXVJNWSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379626051 330143386 /nfs/dbraw/zinc/14/33/86/330143386.db2.gz GORKDHFKKBGACY-NEPXVJNWSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC=CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379643242 330144989 /nfs/dbraw/zinc/14/49/89/330144989.db2.gz FQNHUWVGJNVTIR-GGPKGHCWSA-N 2 1 298.474 3.985 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC=CCC2)CC[N@H+]1Cc1ccccc1 ZINC000379643242 330144991 /nfs/dbraw/zinc/14/49/91/330144991.db2.gz FQNHUWVGJNVTIR-GGPKGHCWSA-N 2 1 298.474 3.985 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000379640482 330146071 /nfs/dbraw/zinc/14/60/71/330146071.db2.gz WSOFGZKALYHXLY-KBAYOESNSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000379640482 330146073 /nfs/dbraw/zinc/14/60/73/330146073.db2.gz WSOFGZKALYHXLY-KBAYOESNSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C(C2CC2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379641567 330146086 /nfs/dbraw/zinc/14/60/86/330146086.db2.gz DFIOTFDEWZYAFK-HNAYVOBHSA-N 2 1 298.474 3.818 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C(C2CC2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000379641567 330146087 /nfs/dbraw/zinc/14/60/87/330146087.db2.gz DFIOTFDEWZYAFK-HNAYVOBHSA-N 2 1 298.474 3.818 20 0 CHADMP CC[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000379659172 330146332 /nfs/dbraw/zinc/14/63/32/330146332.db2.gz YYOBBTWBMWWITQ-MAUKXSAKSA-N 2 1 274.452 3.675 20 0 CHADMP CC[N@@H+](Cc1cccc(C2CC2)c1)[C@H]1CCC[NH2+]CC1 ZINC000422551178 330148969 /nfs/dbraw/zinc/14/89/69/330148969.db2.gz CYYTUGILBWPQNJ-SFHVURJKSA-N 2 1 272.436 3.528 20 0 CHADMP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1cccc2ccccc21 ZINC000422759156 330153743 /nfs/dbraw/zinc/15/37/43/330153743.db2.gz KUEYDEJUNIQVAP-HBUWYVDXSA-N 2 1 268.404 3.631 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cccs1 ZINC000422766236 330153829 /nfs/dbraw/zinc/15/38/29/330153829.db2.gz RBCPHVJAWONDDL-BPUTZDHNSA-N 2 1 286.444 3.892 20 0 CHADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3F)c2ccccc21 ZINC000422764811 330153971 /nfs/dbraw/zinc/15/39/71/330153971.db2.gz ONWHCKLXATXCDK-FGTMMUONSA-N 2 1 282.362 3.547 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccncc1 ZINC000422785542 330154936 /nfs/dbraw/zinc/15/49/36/330154936.db2.gz PIHIKSAWTXLFIF-GBESFXJTSA-N 2 1 295.430 3.616 20 0 CHADMP CSc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422880334 330158984 /nfs/dbraw/zinc/15/89/84/330158984.db2.gz NZIYMQGBYVDXRT-IAGOWNOFSA-N 2 1 284.428 3.643 20 0 CHADMP CSc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422880341 330158988 /nfs/dbraw/zinc/15/89/88/330158988.db2.gz NZIYMQGBYVDXRT-SJORKVTESA-N 2 1 284.428 3.643 20 0 CHADMP C[C@@H](CCC[NH3+])Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000422925011 330161003 /nfs/dbraw/zinc/16/10/03/330161003.db2.gz URVFQIYGCYVIRU-JKSUJKDBSA-N 2 1 289.467 3.600 20 0 CHADMP Fc1ccc([C@@H]([NH2+][C@H]2CCC[NH2+]CC2)c2ccccc2)cc1 ZINC000422932776 330161107 /nfs/dbraw/zinc/16/11/07/330161107.db2.gz GUQKNRDOCLCLJI-OALUTQOASA-N 2 1 298.405 3.647 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)C(C)C ZINC000422946741 330161872 /nfs/dbraw/zinc/16/18/72/330161872.db2.gz PDGPAJOAMLDGRW-YESZJQIVSA-N 2 1 260.425 3.504 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1 ZINC000422986455 330163029 /nfs/dbraw/zinc/16/30/29/330163029.db2.gz GVLNCSFTFZLYJS-MNEFBYGVSA-N 2 1 280.415 3.831 20 0 CHADMP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000423064589 330167958 /nfs/dbraw/zinc/16/79/58/330167958.db2.gz RWJDWPSLCCRZOV-KXUCPTDWSA-N 2 1 275.223 3.770 20 0 CHADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCC34CCCC4)CC[NH2+]2)cc1 ZINC000423068858 330168298 /nfs/dbraw/zinc/16/82/98/330168298.db2.gz ABSBMFSFEOHKFT-FGTMMUONSA-N 2 1 284.447 3.792 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc2cccc(F)c2o1 ZINC000423075677 330168499 /nfs/dbraw/zinc/16/84/99/330168499.db2.gz XNMCKNFIYGPUNS-RAQOOLMWSA-N 2 1 288.366 3.506 20 0 CHADMP [NH3+][C@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc(F)cc32)c2ccccc21 ZINC000423089016 330169008 /nfs/dbraw/zinc/16/90/08/330169008.db2.gz UGRTWOWLEYSMKX-GBESFXJTSA-N 2 1 296.389 3.938 20 0 CHADMP C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423095514 330169768 /nfs/dbraw/zinc/16/97/68/330169768.db2.gz MQWAQTRQZGPKID-WNOSKKOXSA-N 2 1 292.854 3.706 20 0 CHADMP FC1(F)CC[C@H](C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000423100299 330170156 /nfs/dbraw/zinc/17/01/56/330170156.db2.gz VCOZGWHFSZYKOY-CWRNSKLLSA-N 2 1 294.389 3.505 20 0 CHADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000423121353 330171050 /nfs/dbraw/zinc/17/10/50/330171050.db2.gz IKTFDIGLAXSWDG-WOPDTQHZSA-N 2 1 284.856 3.638 20 0 CHADMP Cc1csc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000423146390 330172440 /nfs/dbraw/zinc/17/24/40/330172440.db2.gz AMBNJBKTVVJMPK-WBVHZDCISA-N 2 1 286.444 3.639 20 0 CHADMP Cc1csc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000423146389 330172506 /nfs/dbraw/zinc/17/25/06/330172506.db2.gz AMBNJBKTVVJMPK-RDJZCZTQSA-N 2 1 286.444 3.639 20 0 CHADMP CSc1ccccc1[C@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000423174507 330174830 /nfs/dbraw/zinc/17/48/30/330174830.db2.gz AWOWBARUXNABDQ-ZDUSSCGKSA-N 2 1 278.465 3.721 20 0 CHADMP CC[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000423181236 330175556 /nfs/dbraw/zinc/17/55/56/330175556.db2.gz JISWNOCIJBYDOC-AWEZNQCLSA-N 2 1 287.234 3.786 20 0 CHADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000423185733 330175605 /nfs/dbraw/zinc/17/56/05/330175605.db2.gz WAISSRVPVPHNAB-GFCCVEGCSA-N 2 1 295.496 3.887 20 0 CHADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423270818 330184535 /nfs/dbraw/zinc/18/45/35/330184535.db2.gz WZABPBUPCUJNET-FCLVOEFKSA-N 2 1 286.463 3.676 20 0 CHADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(-c2cccs2)cc1 ZINC000423275039 330185118 /nfs/dbraw/zinc/18/51/18/330185118.db2.gz LIWRQXDHAUSTCW-BLLLJJGKSA-N 2 1 286.444 3.803 20 0 CHADMP [NH3+]C[C@H]([NH2+][C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000423276176 330185136 /nfs/dbraw/zinc/18/51/36/330185136.db2.gz MNLNTTWSITUJBA-PVAVHDDUSA-N 2 1 292.854 3.693 20 0 CHADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc2cc(OC)ccc2c1 ZINC000423275882 330185174 /nfs/dbraw/zinc/18/51/74/330185174.db2.gz MGEBIRIFYCMULV-MOPGFXCFSA-N 2 1 298.430 3.626 20 0 CHADMP Cc1nc(-c2cc([C@H](C)[NH2+]CC(C)(C)[NH3+])cs2)cs1 ZINC000423281543 330185541 /nfs/dbraw/zinc/18/55/41/330185541.db2.gz BNIPIRFMFBFOKC-VIFPVBQESA-N 2 1 295.477 3.568 20 0 CHADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000423284355 330185766 /nfs/dbraw/zinc/18/57/66/330185766.db2.gz YEZRPXKAPXQRGK-FZMZJTMJSA-N 2 1 288.357 3.729 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000423288018 330185986 /nfs/dbraw/zinc/18/59/86/330185986.db2.gz PYBUZFHHIAWNST-NSHDSACASA-N 2 1 254.805 3.508 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@H](c1ccc(C)o1)C1CCC1 ZINC000423287040 330186282 /nfs/dbraw/zinc/18/62/82/330186282.db2.gz JYBWUWRWSDVCKZ-HNNXBMFYSA-N 2 1 264.413 3.536 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000423289450 330186480 /nfs/dbraw/zinc/18/64/80/330186480.db2.gz XHASLHXAJRUELY-SECBINFHSA-N 2 1 260.834 3.570 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423302023 330189097 /nfs/dbraw/zinc/18/90/97/330189097.db2.gz VAGVKKMNYCWDDV-HNAYVOBHSA-N 2 1 297.446 3.917 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000423312262 330189500 /nfs/dbraw/zinc/18/95/00/330189500.db2.gz DBCHQZOMPMEGQW-UONOGXRCSA-N 2 1 287.234 3.771 20 0 CHADMP CCC[C@H]([NH2+][C@H](C)C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000423322041 330190398 /nfs/dbraw/zinc/19/03/98/330190398.db2.gz IJYXPORFRMECQF-RNCFNFMXSA-N 2 1 275.223 3.771 20 0 CHADMP CC(C)C[C@@H]([NH2+][C@H](C)C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423321912 330190465 /nfs/dbraw/zinc/19/04/65/330190465.db2.gz IBPHSXZGWJRJPW-BXUZGUMPSA-N 2 1 288.357 3.729 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(-c2ccccc2)o1 ZINC000423356563 330193306 /nfs/dbraw/zinc/19/33/06/330193306.db2.gz GVAOWGPOWMDMMX-GOEBONIOSA-N 2 1 284.403 3.739 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(-c2ccccc2)o1 ZINC000423365350 330194696 /nfs/dbraw/zinc/19/46/96/330194696.db2.gz BOBHCNNXDVIPEZ-IIAWOOMASA-N 2 1 284.403 3.738 20 0 CHADMP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000423396436 330195651 /nfs/dbraw/zinc/19/56/51/330195651.db2.gz UEEPZWHMWXDLLT-SGMGOOAPSA-N 2 1 296.842 3.530 20 0 CHADMP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423376220 330198607 /nfs/dbraw/zinc/19/86/07/330198607.db2.gz KXDQXWPOIUGOOJ-HZSPNIEDSA-N 2 1 286.419 3.786 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc(Cl)cc(Cl)c1 ZINC000423383823 330199501 /nfs/dbraw/zinc/19/95/01/330199501.db2.gz PQKFJEZCOUJTIB-ISTVAULSSA-N 2 1 287.234 3.785 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccc(F)cc2)s1)[C@H](C)[NH3+] ZINC000423449787 330202828 /nfs/dbraw/zinc/20/28/28/330202828.db2.gz SDELTIGUQTVCPK-TUAOUCFPSA-N 2 1 292.423 3.941 20 0 CHADMP C[C@@H]([NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1)[C@H](C)[NH3+] ZINC000423468579 330204881 /nfs/dbraw/zinc/20/48/81/330204881.db2.gz ONTPAOMUJRKMFI-RWSFTLGLSA-N 2 1 266.816 3.507 20 0 CHADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000423470372 330204917 /nfs/dbraw/zinc/20/49/17/330204917.db2.gz PGVGBDYMTJVUTL-CABZTGNLSA-N 2 1 295.477 3.568 20 0 CHADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000423469351 330204978 /nfs/dbraw/zinc/20/49/78/330204978.db2.gz OUVJNAVMNILBTR-DGCLKSJQSA-N 2 1 284.831 3.515 20 0 CHADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000423470375 330205083 /nfs/dbraw/zinc/20/50/83/330205083.db2.gz PGVGBDYMTJVUTL-JOYOIKCWSA-N 2 1 295.477 3.568 20 0 CHADMP CSc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1F ZINC000423532698 330210249 /nfs/dbraw/zinc/21/02/49/330210249.db2.gz RNBAULLKLGLRLO-NHYWBVRUSA-N 2 1 296.455 3.716 20 0 CHADMP CC[C@H]([NH2+]CCC[NH2+]C1CC1)c1cc(Cl)ccc1OC ZINC000423533978 330210285 /nfs/dbraw/zinc/21/02/85/330210285.db2.gz ZAZXQRSJGKNYAS-HNNXBMFYSA-N 2 1 296.842 3.531 20 0 CHADMP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000423532148 330210289 /nfs/dbraw/zinc/21/02/89/330210289.db2.gz UVDGICUSIAOUIW-LBPRGKRZSA-N 2 1 296.842 3.531 20 0 CHADMP CSc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1F ZINC000423532697 330210474 /nfs/dbraw/zinc/21/04/74/330210474.db2.gz RNBAULLKLGLRLO-IAQYHMDHSA-N 2 1 296.455 3.716 20 0 CHADMP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000423536621 330212716 /nfs/dbraw/zinc/21/27/16/330212716.db2.gz ZUAKRQRGXBYIGY-RDTXWAMCSA-N 2 1 290.451 3.642 20 0 CHADMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000527631651 330266838 /nfs/dbraw/zinc/26/68/38/330266838.db2.gz MXEVSGGDBCWCBB-QZTJIDSGSA-N 2 1 286.463 3.787 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(C)ccc1C ZINC000527864840 330285559 /nfs/dbraw/zinc/28/55/59/330285559.db2.gz KRELRPRXECQGKG-BQFCYCMXSA-N 2 1 274.452 3.827 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(C)ccc1C ZINC000527864840 330285560 /nfs/dbraw/zinc/28/55/60/330285560.db2.gz KRELRPRXECQGKG-BQFCYCMXSA-N 2 1 274.452 3.827 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC12CC2 ZINC000527869703 330286043 /nfs/dbraw/zinc/28/60/43/330286043.db2.gz WDNCHSNUHKPADW-NEPXVJNWSA-N 2 1 298.474 3.675 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC12CC2 ZINC000527869703 330286044 /nfs/dbraw/zinc/28/60/44/330286044.db2.gz WDNCHSNUHKPADW-NEPXVJNWSA-N 2 1 298.474 3.675 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527845916 330287747 /nfs/dbraw/zinc/28/77/47/330287747.db2.gz KHYWAAVYYOEHFL-INIZCTEOSA-N 2 1 296.817 3.540 20 0 CHADMP CC[C@@H](C)c1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000527848532 330288040 /nfs/dbraw/zinc/28/80/40/330288040.db2.gz RQSLICYJLITQKS-CABCVRRESA-N 2 1 274.452 3.945 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)[C@H]1CC12CC2 ZINC000527849967 330288135 /nfs/dbraw/zinc/28/81/35/330288135.db2.gz NDCUBZGYNVOBSG-CRAIPNDOSA-N 2 1 286.463 3.805 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@H]2CC23CC3)c1 ZINC000527854442 330288676 /nfs/dbraw/zinc/28/86/76/330288676.db2.gz SLHRBAUDHJDYEM-MAUKXSAKSA-N 2 1 286.463 3.805 20 0 CHADMP CC(C)[C@@H](C[NH2+]C1CC(c2ccccc2)C1)[NH+]1CCCC1 ZINC000036840563 330292006 /nfs/dbraw/zinc/29/20/06/330292006.db2.gz DSCMULOFFIYQMG-CTWPCTMYSA-N 2 1 286.463 3.643 20 0 CHADMP CC(C)Cc1ccccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000527922592 330295892 /nfs/dbraw/zinc/29/58/92/330295892.db2.gz ZQMWBVAUYLRMQK-UHFFFAOYSA-N 2 1 286.463 3.602 20 0 CHADMP CC(C)C[N@H+]1CC[C@@H](CNc2nccc3ccccc32)C1 ZINC000527923857 330296224 /nfs/dbraw/zinc/29/62/24/330296224.db2.gz DYUAIPVBCXCZLL-HNNXBMFYSA-N 2 1 283.419 3.625 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2c(C)cc(C)cc2C)C1 ZINC000533011141 330324093 /nfs/dbraw/zinc/32/40/93/330324093.db2.gz TWAFCQHHZPFREM-MSOLQXFVSA-N 2 1 288.479 3.946 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2c(C)cc(C)cc2C)C1 ZINC000533011141 330324094 /nfs/dbraw/zinc/32/40/94/330324094.db2.gz TWAFCQHHZPFREM-MSOLQXFVSA-N 2 1 288.479 3.946 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2c(C)cc(C)cc2C)C1 ZINC000533011141 330324095 /nfs/dbraw/zinc/32/40/95/330324095.db2.gz TWAFCQHHZPFREM-MSOLQXFVSA-N 2 1 288.479 3.946 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000044534442 330329773 /nfs/dbraw/zinc/32/97/73/330329773.db2.gz IJKIHVIUJMJNFI-CZUORRHYSA-N 2 1 280.843 3.723 20 0 CHADMP CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044535651 330329984 /nfs/dbraw/zinc/32/99/84/330329984.db2.gz JAXUZRCCVSXJBF-CVEARBPZSA-N 2 1 274.452 3.802 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc2ccccc2c1 ZINC000044535109 330330083 /nfs/dbraw/zinc/33/00/83/330330083.db2.gz GVFPGJWSLLOYAZ-JKSUJKDBSA-N 2 1 282.431 3.832 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@H](C2CCC2)C2CCCCC2)CC1 ZINC000424285668 330334097 /nfs/dbraw/zinc/33/40/97/330334097.db2.gz PEXDSRZQOSVVIN-SFHVURJKSA-N 2 1 276.468 3.587 20 0 CHADMP CC(C)(C)C1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000106868908 330341440 /nfs/dbraw/zinc/34/14/40/330341440.db2.gz LZTKVVINMWYDFB-BHUNQDJPSA-N 2 1 278.484 3.808 20 0 CHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC23CC3)CC1 ZINC000424333093 330342746 /nfs/dbraw/zinc/34/27/46/330342746.db2.gz XJOAJHUCDDEASH-ABHNRTSZSA-N 2 1 284.447 3.572 20 0 CHADMP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000445438177 330347752 /nfs/dbraw/zinc/34/77/52/330347752.db2.gz FCSCDFJSSWCHEI-XPGWFJOJSA-N 2 1 298.474 3.652 20 0 CHADMP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000445438177 330347753 /nfs/dbraw/zinc/34/77/53/330347753.db2.gz FCSCDFJSSWCHEI-XPGWFJOJSA-N 2 1 298.474 3.652 20 0 CHADMP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000445438177 330347754 /nfs/dbraw/zinc/34/77/54/330347754.db2.gz FCSCDFJSSWCHEI-XPGWFJOJSA-N 2 1 298.474 3.652 20 0 CHADMP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000445438178 330347849 /nfs/dbraw/zinc/34/78/49/330347849.db2.gz FCSCDFJSSWCHEI-YSGRDPCXSA-N 2 1 298.474 3.652 20 0 CHADMP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000445438178 330347850 /nfs/dbraw/zinc/34/78/50/330347850.db2.gz FCSCDFJSSWCHEI-YSGRDPCXSA-N 2 1 298.474 3.652 20 0 CHADMP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000445438178 330347851 /nfs/dbraw/zinc/34/78/51/330347851.db2.gz FCSCDFJSSWCHEI-YSGRDPCXSA-N 2 1 298.474 3.652 20 0 CHADMP CCSc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424373944 330348328 /nfs/dbraw/zinc/34/83/28/330348328.db2.gz KJCCJIHGJCSBCW-DAXOMENPSA-N 2 1 278.465 3.719 20 0 CHADMP CC[NH+](CC)C[C@@H](C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000045693785 330348729 /nfs/dbraw/zinc/34/87/29/330348729.db2.gz GHRQBOMHEPIGRA-HZPDHXFCSA-N 2 1 262.441 3.500 20 0 CHADMP CC[C@H]1CCC[NH+]1CCCCC[N@@H+]1CCC[C@@H]1CC ZINC000533287203 330355922 /nfs/dbraw/zinc/35/59/22/330355922.db2.gz WRECPVZQMHTEBA-IRXDYDNUSA-N 2 1 266.473 3.906 20 0 CHADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(Cl)c(F)c1 ZINC000212722097 330367117 /nfs/dbraw/zinc/36/71/17/330367117.db2.gz BGWVULSRBWCKCV-QWHCGFSZSA-N 2 1 298.833 3.862 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000212782318 330367463 /nfs/dbraw/zinc/36/74/63/330367463.db2.gz LMILZZFCKSHZDJ-GFCCVEGCSA-N 2 1 286.822 3.862 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)C1 ZINC000536948472 330373201 /nfs/dbraw/zinc/37/32/01/330373201.db2.gz UMGWULUHYFZVDP-RDTXWAMCSA-N 2 1 290.426 3.517 20 0 CHADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000087761866 330374311 /nfs/dbraw/zinc/37/43/11/330374311.db2.gz TYQARLGMWBYUJB-LLVKDONJSA-N 2 1 287.234 3.554 20 0 CHADMP CCCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119689822 330378784 /nfs/dbraw/zinc/37/87/84/330378784.db2.gz BQEMAWDREICJQX-RHSMWYFYSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)C(C)(C)c1ccccc1 ZINC000537053574 330395172 /nfs/dbraw/zinc/39/51/72/330395172.db2.gz WMJBBVDNFQJZPL-FUHWJXTLSA-N 2 1 288.479 3.817 20 0 CHADMP C[C@@](C[NH3+])([NH2+]CCCSc1ccccc1Cl)C1CC1 ZINC000430596686 330569552 /nfs/dbraw/zinc/56/95/52/330569552.db2.gz JZTQGDUNKCMSRQ-HNNXBMFYSA-N 2 1 298.883 3.539 20 0 CHADMP C[NH+](C)C1(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CCCC1 ZINC000436273774 330672563 /nfs/dbraw/zinc/67/25/63/330672563.db2.gz VBBGRLNNDCYRKI-ROUUACIJSA-N 2 1 286.463 3.787 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCC12CCCCC2 ZINC000449089216 330898325 /nfs/dbraw/zinc/89/83/25/330898325.db2.gz KDZZUCWLEKLWNG-MRXNPFEDSA-N 2 1 275.440 3.674 20 0 CHADMP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@H]1CCC[C@@H](C)C1 ZINC000449766804 330948661 /nfs/dbraw/zinc/94/86/61/330948661.db2.gz ORYZMKDHWMAPCO-RDBSUJKOSA-N 2 1 295.496 3.509 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@]1(C)CC(C)C ZINC000451290011 331023221 /nfs/dbraw/zinc/02/32/21/331023221.db2.gz LDCMOSLMOHJVCG-KRWDZBQOSA-N 2 1 277.456 3.872 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@]1(C)CC(C)C ZINC000451290011 331023222 /nfs/dbraw/zinc/02/32/22/331023222.db2.gz LDCMOSLMOHJVCG-KRWDZBQOSA-N 2 1 277.456 3.872 20 0 CHADMP C[C@@H](CCCC(F)(F)F)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000163446890 331040343 /nfs/dbraw/zinc/04/03/43/331040343.db2.gz JOTQACVWLZZOMW-FUDCBSFHSA-N 2 1 292.389 3.712 20 0 CHADMP C[C@@H](CCCC(F)(F)F)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000163446890 331040344 /nfs/dbraw/zinc/04/03/44/331040344.db2.gz JOTQACVWLZZOMW-FUDCBSFHSA-N 2 1 292.389 3.712 20 0 CHADMP Cc1cc(F)ccc1[C@H]1CCC[N@H+]1CCCn1ccnc1 ZINC000451993933 331049706 /nfs/dbraw/zinc/04/97/06/331049706.db2.gz POLKIPCHRZFYFR-QGZVFWFLSA-N 2 1 287.382 3.558 20 0 CHADMP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1cccc(O)c1 ZINC000194881173 331068623 /nfs/dbraw/zinc/06/86/23/331068623.db2.gz LWCGVHOQNNWNED-OAHLLOKOSA-N 2 1 278.440 3.555 20 0 CHADMP CC[C@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)C1CCC1 ZINC000453124115 331091653 /nfs/dbraw/zinc/09/16/53/331091653.db2.gz OEIYKLVSKHFDBW-KRWDZBQOSA-N 2 1 287.451 3.527 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c2sccc21 ZINC000453126651 331091939 /nfs/dbraw/zinc/09/19/39/331091939.db2.gz YAFDOVILZGXAKL-COMQUAJESA-N 2 1 278.465 3.759 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2sccc21 ZINC000453126651 331091940 /nfs/dbraw/zinc/09/19/40/331091940.db2.gz YAFDOVILZGXAKL-COMQUAJESA-N 2 1 278.465 3.759 20 0 CHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CCC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453157946 331095263 /nfs/dbraw/zinc/09/52/63/331095263.db2.gz JULRIUOGNPATLT-GBESFXJTSA-N 2 1 284.447 3.572 20 0 CHADMP CCC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)C(C)(C)C ZINC000453386284 331126625 /nfs/dbraw/zinc/12/66/25/331126625.db2.gz ALLZXXOYAXRNAF-HNNXBMFYSA-N 2 1 254.462 3.665 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@@H]1CC(C)(C)Cc2occc21)C1CC1 ZINC000453392456 331127520 /nfs/dbraw/zinc/12/75/20/331127520.db2.gz FMGHJOZZMAPMDX-MRXNPFEDSA-N 2 1 290.451 3.757 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000453398306 331128233 /nfs/dbraw/zinc/12/82/33/331128233.db2.gz KMTDNJNAALAIAP-MNEFBYGVSA-N 2 1 286.463 3.643 20 0 CHADMP Cc1ccc(C)c([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000453398743 331128380 /nfs/dbraw/zinc/12/83/80/331128380.db2.gz KVEPPECJUQUJFG-INIZCTEOSA-N 2 1 274.452 3.828 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)s1 ZINC000453403291 331129018 /nfs/dbraw/zinc/12/90/18/331129018.db2.gz ODAJJZSGRPNTRJ-ZDUSSCGKSA-N 2 1 280.481 3.836 20 0 CHADMP C[N@@H+](CCCC[NH2+]C1CC(c2ccccc2F)C1)C1CC1 ZINC000453405916 331129363 /nfs/dbraw/zinc/12/93/63/331129363.db2.gz QTYUGEGCGLOBMD-UHFFFAOYSA-N 2 1 290.426 3.536 20 0 CHADMP C[C@H](CCc1ccc(F)cc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453411645 331129956 /nfs/dbraw/zinc/12/99/56/331129956.db2.gz VUUBUNLWFVQBJL-OAHLLOKOSA-N 2 1 292.442 3.611 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2ccccc21 ZINC000453419302 331130454 /nfs/dbraw/zinc/13/04/54/331130454.db2.gz YQPDCZHSCSVATN-RDTXWAMCSA-N 2 1 272.436 3.699 20 0 CHADMP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(F)cc1F ZINC000453419384 331130523 /nfs/dbraw/zinc/13/05/23/331130523.db2.gz ZAVZMXLISXUYKZ-QGZVFWFLSA-N 2 1 296.405 3.880 20 0 CHADMP CC[C@@H](C[NH2+]CCCC[N@@H+](C)C1CC1)c1ccccc1 ZINC000453598192 331135633 /nfs/dbraw/zinc/13/56/33/331135633.db2.gz PIOJFVJPACWYHF-INIZCTEOSA-N 2 1 274.452 3.644 20 0 CHADMP C[N@@H+](CCCC[NH2+]Cc1ccc(-c2ccccc2)o1)C1CC1 ZINC000453598630 331135684 /nfs/dbraw/zinc/13/56/84/331135684.db2.gz PVVUGCAOWOOYCD-UHFFFAOYSA-N 2 1 298.430 3.911 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)C[C@H]1n1ccnc1 ZINC000459349551 331277443 /nfs/dbraw/zinc/27/74/43/331277443.db2.gz IDSLJSIMCVENAS-HNAYVOBHSA-N 2 1 295.430 3.844 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)C[C@@H]1n1ccnc1 ZINC000459349529 331277578 /nfs/dbraw/zinc/27/75/78/331277578.db2.gz IDSLJSIMCVENAS-BEFAXECRSA-N 2 1 295.430 3.844 20 0 CHADMP CC(C)[NH2+]C1CC[NH+]([C@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000459363715 331278332 /nfs/dbraw/zinc/27/83/32/331278332.db2.gz IMHGHJZYSBRDCV-OAHLLOKOSA-N 2 1 286.463 3.699 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000459379404 331278978 /nfs/dbraw/zinc/27/89/78/331278978.db2.gz RQIGXFYJVBSVKQ-KRWDZBQOSA-N 2 1 286.463 3.728 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000459379404 331278979 /nfs/dbraw/zinc/27/89/79/331278979.db2.gz RQIGXFYJVBSVKQ-KRWDZBQOSA-N 2 1 286.463 3.728 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2cccc(Cl)c2)C[C@@H]1C ZINC000459385503 331279357 /nfs/dbraw/zinc/27/93/57/331279357.db2.gz YPNDSKUYMQCEET-WMLDXEAASA-N 2 1 294.870 3.687 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2cccc(Cl)c2)C[C@@H]1C ZINC000459385503 331279358 /nfs/dbraw/zinc/27/93/58/331279358.db2.gz YPNDSKUYMQCEET-WMLDXEAASA-N 2 1 294.870 3.687 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2cccc(Cl)c2)C[C@@H]1C ZINC000459385503 331279359 /nfs/dbraw/zinc/27/93/59/331279359.db2.gz YPNDSKUYMQCEET-WMLDXEAASA-N 2 1 294.870 3.687 20 0 CHADMP Cc1ccc(C2(C[NH2+]C3CC[NH+](C4CC4)CC3)CC2)c(C)c1 ZINC000459579060 331289005 /nfs/dbraw/zinc/28/90/05/331289005.db2.gz YQVRBAASYKKQKS-UHFFFAOYSA-N 2 1 298.474 3.551 20 0 CHADMP CC1(C)[C@@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H]1c1ccccc1 ZINC000459724449 331295871 /nfs/dbraw/zinc/29/58/71/331295871.db2.gz YSLFIJXYYHYBQG-XWSJACJDSA-N 2 1 298.474 3.643 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@@H](C)c1ccccc1 ZINC000459725008 331296057 /nfs/dbraw/zinc/29/60/57/331296057.db2.gz FMXHXVVFFNXICR-IXDOHACOSA-N 2 1 274.452 3.500 20 0 CHADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459775997 331300208 /nfs/dbraw/zinc/30/02/08/331300208.db2.gz JTLRHKAIXDJQOW-HOCLYGCPSA-N 2 1 294.870 3.593 20 0 CHADMP CC[C@H](C)C[C@H](CC)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459798360 331301631 /nfs/dbraw/zinc/30/16/31/331301631.db2.gz XLMZDRVYHQMSJS-XHSDSOJGSA-N 2 1 254.462 3.523 20 0 CHADMP CC[C@H]1CCC[C@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)C1 ZINC000462660438 331324768 /nfs/dbraw/zinc/32/47/68/331324768.db2.gz KFKSLCVHTVFZOK-HOTGVXAUSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)CC(C)(C)C1 ZINC000462751639 331327399 /nfs/dbraw/zinc/32/73/99/331327399.db2.gz ZSYGEPICBJHTPG-PMPSAXMXSA-N 2 1 278.484 3.808 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)CC(C)(C)C1 ZINC000462751639 331327400 /nfs/dbraw/zinc/32/74/00/331327400.db2.gz ZSYGEPICBJHTPG-PMPSAXMXSA-N 2 1 278.484 3.808 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC23CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000463240096 331343737 /nfs/dbraw/zinc/34/37/37/331343737.db2.gz IWSHFBQSAOKGOI-NZSAHSFTSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC23CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000463240096 331343738 /nfs/dbraw/zinc/34/37/38/331343738.db2.gz IWSHFBQSAOKGOI-NZSAHSFTSA-N 2 1 298.474 3.962 20 0 CHADMP CCc1cccc(F)c1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000478846881 331715617 /nfs/dbraw/zinc/71/56/17/331715617.db2.gz XJHWWAPLYMKISE-UHFFFAOYSA-N 2 1 292.442 3.787 20 0 CHADMP CC(C)C1CC([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000488433861 332007897 /nfs/dbraw/zinc/00/78/97/332007897.db2.gz OJCKLNDCOOZLOI-KLAILNCOSA-N 2 1 266.473 3.523 20 0 CHADMP CN1CCC[C@H](C[N@@H+](C)[C@H]2CCc3c2cccc3Cl)C1 ZINC000489839740 332069817 /nfs/dbraw/zinc/06/98/17/332069817.db2.gz UWZBWUQRUGSDPK-GUYCJALGSA-N 2 1 292.854 3.601 20 0 CHADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCc2c1cccc2Cl ZINC000489839740 332069819 /nfs/dbraw/zinc/06/98/19/332069819.db2.gz UWZBWUQRUGSDPK-GUYCJALGSA-N 2 1 292.854 3.601 20 0 CHADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCc2c1cccc2Cl ZINC000489839740 332069821 /nfs/dbraw/zinc/06/98/21/332069821.db2.gz UWZBWUQRUGSDPK-GUYCJALGSA-N 2 1 292.854 3.601 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC000490042995 332077984 /nfs/dbraw/zinc/07/79/84/332077984.db2.gz PIINYIGNAZOPAH-APWZRJJASA-N 2 1 297.446 3.768 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC000490042995 332077985 /nfs/dbraw/zinc/07/79/85/332077985.db2.gz PIINYIGNAZOPAH-APWZRJJASA-N 2 1 297.446 3.768 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]3CCC[C@@H]31)CCC2 ZINC000490296988 332086325 /nfs/dbraw/zinc/08/63/25/332086325.db2.gz DRKAFNKWIRXELS-GSEOLPGOSA-N 2 1 298.474 3.835 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc21 ZINC000248178615 334296678 /nfs/dbraw/zinc/29/66/78/334296678.db2.gz WAESCGOZOUAQAS-BSXFFOKHSA-N 2 1 272.436 3.697 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc21 ZINC000248178615 334296679 /nfs/dbraw/zinc/29/66/79/334296679.db2.gz WAESCGOZOUAQAS-BSXFFOKHSA-N 2 1 272.436 3.697 20 0 CHADMP CC(C)Cc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc1 ZINC000513058786 333001929 /nfs/dbraw/zinc/00/19/29/333001929.db2.gz TZIXBXBYHIPOGZ-UHFFFAOYSA-N 2 1 288.479 3.848 20 0 CHADMP C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000513525196 333024034 /nfs/dbraw/zinc/02/40/34/333024034.db2.gz JWUDVCSDMFTHDG-URPBKQNGSA-N 2 1 292.854 3.816 20 0 CHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]C4CCC4)[C@H]3C2)cc1 ZINC000513656743 333029798 /nfs/dbraw/zinc/02/97/98/333029798.db2.gz XBWNRRMEQNUSPT-IHPCNDPISA-N 2 1 298.474 3.819 20 0 CHADMP Cc1cc(N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000309716332 333047801 /nfs/dbraw/zinc/04/78/01/333047801.db2.gz LYKOXKBOXOWJIM-FUHWJXTLSA-N 2 1 295.430 3.713 20 0 CHADMP CC[C@H](C)C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000309878674 333050580 /nfs/dbraw/zinc/05/05/80/333050580.db2.gz VDLVGKRSNXWFRE-PKOBYXMFSA-N 2 1 288.479 3.924 20 0 CHADMP C[NH+](C)C1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000513969936 333056572 /nfs/dbraw/zinc/05/65/72/333056572.db2.gz GUSCPMTWHQWVCI-UHFFFAOYSA-N 2 1 294.442 3.802 20 0 CHADMP CC1(C)C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000178476600 333073713 /nfs/dbraw/zinc/07/37/13/333073713.db2.gz LTLLRPMCKQYMQP-GOSISDBHSA-N 2 1 284.447 3.625 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000516896321 333085453 /nfs/dbraw/zinc/08/54/53/333085453.db2.gz GIZDARIMIUXBOC-MELADBBJSA-N 2 1 294.405 3.818 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000516896321 333085454 /nfs/dbraw/zinc/08/54/54/333085454.db2.gz GIZDARIMIUXBOC-MELADBBJSA-N 2 1 294.405 3.818 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)C2CCCCCC2)C1 ZINC000517439398 333099462 /nfs/dbraw/zinc/09/94/62/333099462.db2.gz WVHFOVUHAAVWAL-CVEARBPZSA-N 2 1 266.473 3.665 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2=CCCCCC2)[C@H](C)C1 ZINC000184574667 333130084 /nfs/dbraw/zinc/13/00/84/333130084.db2.gz VPBCJWIWSSZWSA-NVXWUHKLSA-N 2 1 264.457 3.587 20 0 CHADMP COc1ccsc1[C@H](C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000186285973 333157810 /nfs/dbraw/zinc/15/78/10/333157810.db2.gz BGPZVJZHCMMIFK-KBPBESRZSA-N 2 1 296.480 3.672 20 0 CHADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)C1CCSCC1 ZINC000186961143 333166858 /nfs/dbraw/zinc/16/68/58/333166858.db2.gz QRJROJLNIANKNL-HNNXBMFYSA-N 2 1 298.540 3.762 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1CCSCC1 ZINC000187010538 333167214 /nfs/dbraw/zinc/16/72/14/333167214.db2.gz NHJMVFMTNYLCHB-HOTGVXAUSA-N 2 1 298.540 3.762 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C/C=C\c1ccccc1 ZINC000220561022 333167460 /nfs/dbraw/zinc/16/74/60/333167460.db2.gz DIIHJBIJTVGZLU-UUKWBXHYSA-N 2 1 272.436 3.554 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000195139194 333246702 /nfs/dbraw/zinc/24/67/02/333246702.db2.gz SJCHYIDZSYCTPJ-NVXWUHKLSA-N 2 1 274.452 3.533 20 0 CHADMP C[C@H](CC1CCCCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000194251891 333267818 /nfs/dbraw/zinc/26/78/18/333267818.db2.gz UROLOEPFRDYNNB-DJIMGWMZSA-N 2 1 264.457 3.562 20 0 CHADMP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000227540319 333285520 /nfs/dbraw/zinc/28/55/20/333285520.db2.gz IXPJAADLKYITRS-FGTMMUONSA-N 2 1 266.388 3.872 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1F ZINC000227542275 333285543 /nfs/dbraw/zinc/28/55/43/333285543.db2.gz SOAJISNWSGOURX-NXOUGTEYSA-N 2 1 284.378 3.930 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc3c(s2)CCCC3)C1 ZINC000250227642 333303581 /nfs/dbraw/zinc/30/35/81/333303581.db2.gz FRSUAOLFQDGFSB-ZIAGYGMSSA-N 2 1 292.492 3.619 20 0 CHADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000230388947 333316887 /nfs/dbraw/zinc/31/68/87/333316887.db2.gz XITZBQIXDFTXNE-BZOOQXSSSA-N 2 1 294.870 3.906 20 0 CHADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000230388947 333316888 /nfs/dbraw/zinc/31/68/88/333316888.db2.gz XITZBQIXDFTXNE-BZOOQXSSSA-N 2 1 294.870 3.906 20 0 CHADMP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000230773870 333321770 /nfs/dbraw/zinc/32/17/70/333321770.db2.gz GIGFZQDKVYWJJO-LUKYLMHMSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000230773870 333321771 /nfs/dbraw/zinc/32/17/71/333321771.db2.gz GIGFZQDKVYWJJO-LUKYLMHMSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)C1CC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000232551180 333338442 /nfs/dbraw/zinc/33/84/42/333338442.db2.gz AQKUGHDLDKEBDO-UHFFFAOYSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@H](C[NH2+]Cc1ccc(-c2ccccc2)o1)C[NH+]1CCCC1 ZINC000237580475 333380213 /nfs/dbraw/zinc/38/02/13/333380213.db2.gz MGWJPZWRYLVQNZ-MRXNPFEDSA-N 2 1 298.430 3.768 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000237681543 333380861 /nfs/dbraw/zinc/38/08/61/333380861.db2.gz YUUJZQTUBHSJNV-IYBDPMFKSA-N 2 1 299.462 3.626 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC1(C)C ZINC000397592286 333426174 /nfs/dbraw/zinc/42/61/74/333426174.db2.gz KGLFQHLVBGSFED-MAUKXSAKSA-N 2 1 286.463 3.675 20 0 CHADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3ccccc3c2)C1 ZINC000173898151 335142930 /nfs/dbraw/zinc/14/29/30/335142930.db2.gz JIGAXFJXUIQXKY-QGZVFWFLSA-N 2 1 282.431 3.613 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000173898151 335142931 /nfs/dbraw/zinc/14/29/31/335142931.db2.gz JIGAXFJXUIQXKY-QGZVFWFLSA-N 2 1 282.431 3.613 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000173898151 335142932 /nfs/dbraw/zinc/14/29/32/335142932.db2.gz JIGAXFJXUIQXKY-QGZVFWFLSA-N 2 1 282.431 3.613 20 0 CHADMP CCCCc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000037267000 333527967 /nfs/dbraw/zinc/52/79/67/333527967.db2.gz YNPUEHMNGKXPFQ-HNNXBMFYSA-N 2 1 274.452 3.774 20 0 CHADMP c1csc([C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C2CCCC2)c1 ZINC000530222934 333529012 /nfs/dbraw/zinc/52/90/12/333529012.db2.gz SBDDQWMAPRMXHS-JKSUJKDBSA-N 2 1 290.476 3.854 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000129459792 333765644 /nfs/dbraw/zinc/76/56/44/333765644.db2.gz STQUMQHQVYAFGD-MRXNPFEDSA-N 2 1 280.843 3.649 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)C1CCCCCC1 ZINC000541566250 333780716 /nfs/dbraw/zinc/78/07/16/333780716.db2.gz QJZSFCRXYZUFCH-HUUCEWRRSA-N 2 1 277.456 3.776 20 0 CHADMP CC(C)c1ncc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)s1 ZINC000130733590 333868315 /nfs/dbraw/zinc/86/83/15/333868315.db2.gz CYKCTVCSFSQJMY-UHFFFAOYSA-N 2 1 295.496 3.665 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CC)CCCCC2)[C@H](C)C1 ZINC000546573668 334038679 /nfs/dbraw/zinc/03/86/79/334038679.db2.gz QVDDDHTVBLNFPE-CVEARBPZSA-N 2 1 266.473 3.667 20 0 CHADMP Cc1ccc(-c2cccc(C[NH2+]C3CC[NH+](C)CC3)c2)cc1 ZINC000133647198 334048936 /nfs/dbraw/zinc/04/89/36/334048936.db2.gz DWORMWUBZOKEHQ-UHFFFAOYSA-N 2 1 294.442 3.846 20 0 CHADMP CCCC[C@H](CC)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000546930628 334055721 /nfs/dbraw/zinc/05/57/21/334055721.db2.gz KQYQNGCBZOSJPC-BBWFWOEESA-N 2 1 266.473 3.619 20 0 CHADMP CCCC[C@H](CC)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000546930628 334055722 /nfs/dbraw/zinc/05/57/22/334055722.db2.gz KQYQNGCBZOSJPC-BBWFWOEESA-N 2 1 266.473 3.619 20 0 CHADMP CC(C)[C@H](C)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000081047625 334177431 /nfs/dbraw/zinc/17/74/31/334177431.db2.gz QPUULSDNYQGNBZ-MRXNPFEDSA-N 2 1 274.452 3.533 20 0 CHADMP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC000245446608 334194037 /nfs/dbraw/zinc/19/40/37/334194037.db2.gz ZYPAQEPIVNKNGM-HUUCEWRRSA-N 2 1 278.415 3.550 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC000245446608 334194038 /nfs/dbraw/zinc/19/40/38/334194038.db2.gz ZYPAQEPIVNKNGM-HUUCEWRRSA-N 2 1 278.415 3.550 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC000245446608 334194040 /nfs/dbraw/zinc/19/40/40/334194040.db2.gz ZYPAQEPIVNKNGM-HUUCEWRRSA-N 2 1 278.415 3.550 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2cccc(F)c2)C1 ZINC000245446608 334194041 /nfs/dbraw/zinc/19/40/41/334194041.db2.gz ZYPAQEPIVNKNGM-HUUCEWRRSA-N 2 1 278.415 3.550 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](CC)c2ccccc2)C1 ZINC000081570262 334197365 /nfs/dbraw/zinc/19/73/65/334197365.db2.gz GBMQPWYONNCEER-WMZOPIPTSA-N 2 1 274.452 3.801 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](CC)c2ccccc2)C1 ZINC000081570262 334197367 /nfs/dbraw/zinc/19/73/67/334197367.db2.gz GBMQPWYONNCEER-WMZOPIPTSA-N 2 1 274.452 3.801 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](CC)c2ccccc2)C1 ZINC000081570262 334197368 /nfs/dbraw/zinc/19/73/68/334197368.db2.gz GBMQPWYONNCEER-WMZOPIPTSA-N 2 1 274.452 3.801 20 0 CHADMP Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000549734155 334203310 /nfs/dbraw/zinc/20/33/10/334203310.db2.gz VDMCDILPJPHZBM-HNNXBMFYSA-N 2 1 294.870 3.858 20 0 CHADMP CC(C)c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000549839869 334206398 /nfs/dbraw/zinc/20/63/98/334206398.db2.gz AROJEOWVOTWNPT-LJQANCHMSA-N 2 1 286.463 3.728 20 0 CHADMP CC(C)c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000549839869 334206400 /nfs/dbraw/zinc/20/64/00/334206400.db2.gz AROJEOWVOTWNPT-LJQANCHMSA-N 2 1 286.463 3.728 20 0 CHADMP CC(C)c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000549839869 334206401 /nfs/dbraw/zinc/20/64/01/334206401.db2.gz AROJEOWVOTWNPT-LJQANCHMSA-N 2 1 286.463 3.728 20 0 CHADMP CC[N@H+]1CC[C@@H](N(C)Cc2cccc(F)c2Cl)C[C@@H]1C ZINC000549865167 334207505 /nfs/dbraw/zinc/20/75/05/334207505.db2.gz CQTQEMZWUYKSJQ-GXTWGEPZSA-N 2 1 298.833 3.784 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(F)c2)C[C@H]1c1ccccc1 ZINC000550605502 334225014 /nfs/dbraw/zinc/22/50/14/334225014.db2.gz GIKQENLYBPWAKT-MOPGFXCFSA-N 2 1 298.405 3.751 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(F)c2)C[C@H]1c1ccccc1 ZINC000550605502 334225015 /nfs/dbraw/zinc/22/50/15/334225015.db2.gz GIKQENLYBPWAKT-MOPGFXCFSA-N 2 1 298.405 3.751 20 0 CHADMP CC(C)[C@H](C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550666562 334226510 /nfs/dbraw/zinc/22/65/10/334226510.db2.gz ZOHVYSOKAHWVNP-BPQIPLTHSA-N 2 1 274.452 3.704 20 0 CHADMP CC(C)[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550666562 334226512 /nfs/dbraw/zinc/22/65/12/334226512.db2.gz ZOHVYSOKAHWVNP-BPQIPLTHSA-N 2 1 274.452 3.704 20 0 CHADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550976995 334235256 /nfs/dbraw/zinc/23/52/56/334235256.db2.gz NHICHBNLMJDWDM-YSHGAJCASA-N 2 1 286.463 3.990 20 0 CHADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550976995 334235257 /nfs/dbraw/zinc/23/52/57/334235257.db2.gz NHICHBNLMJDWDM-YSHGAJCASA-N 2 1 286.463 3.990 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000551007209 334236163 /nfs/dbraw/zinc/23/61/63/334236163.db2.gz ZAUCTLHFJKHYHH-BVBHFADKSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000551007209 334236164 /nfs/dbraw/zinc/23/61/64/334236164.db2.gz ZAUCTLHFJKHYHH-BVBHFADKSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(C2CC2)c1 ZINC000551050628 334237190 /nfs/dbraw/zinc/23/71/90/334237190.db2.gz JKAHUXPTOMLHHN-HUUCEWRRSA-N 2 1 272.436 3.556 20 0 CHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccccc2F)C1 ZINC000247066248 334274831 /nfs/dbraw/zinc/27/48/31/334274831.db2.gz PXNFCIIAOOYWLG-HUUCEWRRSA-N 2 1 278.415 3.597 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccccc2F)C1 ZINC000247066248 334274832 /nfs/dbraw/zinc/27/48/32/334274832.db2.gz PXNFCIIAOOYWLG-HUUCEWRRSA-N 2 1 278.415 3.597 20 0 CHADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000551175551 334240086 /nfs/dbraw/zinc/24/00/86/334240086.db2.gz MNAMWXPFVMJBEG-UKBAYJJMSA-N 2 1 286.463 3.848 20 0 CHADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000551175551 334240087 /nfs/dbraw/zinc/24/00/87/334240087.db2.gz MNAMWXPFVMJBEG-UKBAYJJMSA-N 2 1 286.463 3.848 20 0 CHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2Cl)C1 ZINC000247067483 334274967 /nfs/dbraw/zinc/27/49/67/334274967.db2.gz OCXCNERJHGQTMM-OLZOCXBDSA-N 2 1 298.833 3.862 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2Cl)C1 ZINC000247067483 334274969 /nfs/dbraw/zinc/27/49/69/334274969.db2.gz OCXCNERJHGQTMM-OLZOCXBDSA-N 2 1 298.833 3.862 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC000246222456 334242157 /nfs/dbraw/zinc/24/21/57/334242157.db2.gz PGBSUJGQNUZRHL-IAGOWNOFSA-N 2 1 274.452 3.720 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2cccc(C)c2)C1 ZINC000246222456 334242158 /nfs/dbraw/zinc/24/21/58/334242158.db2.gz PGBSUJGQNUZRHL-IAGOWNOFSA-N 2 1 274.452 3.720 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2cccc(C)c2)C1 ZINC000246222456 334242159 /nfs/dbraw/zinc/24/21/59/334242159.db2.gz PGBSUJGQNUZRHL-IAGOWNOFSA-N 2 1 274.452 3.720 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(Cl)s1 ZINC000247076924 334275184 /nfs/dbraw/zinc/27/51/84/334275184.db2.gz NJGHDIDZJIHRAU-QJPTWQEYSA-N 2 1 286.872 3.925 20 0 CHADMP CC1=CC[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000551312858 334246454 /nfs/dbraw/zinc/24/64/54/334246454.db2.gz CNGIGTGRINYNKY-PKOBYXMFSA-N 2 1 286.463 3.985 20 0 CHADMP CC(C)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000247132907 334276133 /nfs/dbraw/zinc/27/61/33/334276133.db2.gz RTVOBBMZPNCEML-ZAWLATJESA-N 2 1 288.479 3.745 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CCC2)CC[N@@H+]1C ZINC000247129760 334276269 /nfs/dbraw/zinc/27/62/69/334276269.db2.gz VJGSYXYIDXRCRA-XWIAVFTESA-N 2 1 290.426 3.739 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CCC2)CC[N@H+]1C ZINC000247129760 334276271 /nfs/dbraw/zinc/27/62/71/334276271.db2.gz VJGSYXYIDXRCRA-XWIAVFTESA-N 2 1 290.426 3.739 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)C1 ZINC000246890632 334271418 /nfs/dbraw/zinc/27/14/18/334271418.db2.gz DSBLMZVARJDDFT-VVLHAWIVSA-N 2 1 266.473 3.521 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(C)c2C)C1 ZINC000247196173 334277451 /nfs/dbraw/zinc/27/74/51/334277451.db2.gz WBFDNUFEZKKSKL-IAGOWNOFSA-N 2 1 274.452 3.686 20 0 CHADMP C[C@H](c1cc2ccccc2o1)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000247446547 334281607 /nfs/dbraw/zinc/28/16/07/334281607.db2.gz YFYOXQADFFOHCO-GDBMZVCRSA-N 2 1 286.419 3.910 20 0 CHADMP C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000247446547 334281609 /nfs/dbraw/zinc/28/16/09/334281609.db2.gz YFYOXQADFFOHCO-GDBMZVCRSA-N 2 1 286.419 3.910 20 0 CHADMP C[C@H](c1cc2ccccc2o1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000247446547 334281611 /nfs/dbraw/zinc/28/16/11/334281611.db2.gz YFYOXQADFFOHCO-GDBMZVCRSA-N 2 1 286.419 3.910 20 0 CHADMP C[C@H](c1cc2ccccc2o1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000247446547 334281613 /nfs/dbraw/zinc/28/16/13/334281613.db2.gz YFYOXQADFFOHCO-GDBMZVCRSA-N 2 1 286.419 3.910 20 0 CHADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C=CCCC1 ZINC000247529787 334284389 /nfs/dbraw/zinc/28/43/89/334284389.db2.gz OCOMCFQUCYFCEC-RTBURBONSA-N 2 1 284.447 3.549 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000247534547 334284532 /nfs/dbraw/zinc/28/45/32/334284532.db2.gz OOMOBXQBEPQMLP-YJBOKZPZSA-N 2 1 292.442 3.941 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000247534547 334284535 /nfs/dbraw/zinc/28/45/35/334284535.db2.gz OOMOBXQBEPQMLP-YJBOKZPZSA-N 2 1 292.442 3.941 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1ccsc1 ZINC000552098506 334289399 /nfs/dbraw/zinc/28/93/99/334289399.db2.gz FNIZBWAQPJKTNT-HOCLYGCPSA-N 2 1 280.481 3.533 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1ccsc1 ZINC000552098506 334289400 /nfs/dbraw/zinc/28/94/00/334289400.db2.gz FNIZBWAQPJKTNT-HOCLYGCPSA-N 2 1 280.481 3.533 20 0 CHADMP C[C@H](CCC1CCCCC1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000248173694 334296541 /nfs/dbraw/zinc/29/65/41/334296541.db2.gz VFFPUXZFPBKTNJ-BFYDXBDKSA-N 2 1 266.473 3.808 20 0 CHADMP C[C@H](CCC1CCCCC1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248173694 334296542 /nfs/dbraw/zinc/29/65/42/334296542.db2.gz VFFPUXZFPBKTNJ-BFYDXBDKSA-N 2 1 266.473 3.808 20 0 CHADMP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000552246411 334307932 /nfs/dbraw/zinc/30/79/32/334307932.db2.gz TWRPYMVAVKPYHQ-UTSKFRMZSA-N 2 1 296.524 3.513 20 0 CHADMP CC(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000552247720 334308149 /nfs/dbraw/zinc/30/81/49/334308149.db2.gz YGDQLFSZYRNRKZ-GUDVDZBRSA-N 2 1 286.463 3.772 20 0 CHADMP C[C@H]1C[C@H]([NH2+][C@H]2c3ccccc3CCC[C@H]2C)CC[N@@H+]1C ZINC000248750866 334316005 /nfs/dbraw/zinc/31/60/05/334316005.db2.gz FVEWWYUAQRGRLI-LORHWOILSA-N 2 1 286.463 3.772 20 0 CHADMP C[C@H]1C[C@H]([NH2+][C@H]2c3ccccc3CCC[C@H]2C)CC[N@H+]1C ZINC000248750866 334316006 /nfs/dbraw/zinc/31/60/06/334316006.db2.gz FVEWWYUAQRGRLI-LORHWOILSA-N 2 1 286.463 3.772 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CCC2CC2)C1 ZINC000248992148 334323922 /nfs/dbraw/zinc/32/39/22/334323922.db2.gz LHCAPZSCEDURTJ-WBVHZDCISA-N 2 1 266.473 3.523 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(C)c(C)cc2C)C1 ZINC000249382060 334332840 /nfs/dbraw/zinc/33/28/40/334332840.db2.gz TXXDJRJBDZNRTP-SJORKVTESA-N 2 1 274.452 3.604 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C(C)C)cc2)C1 ZINC000249383002 334332896 /nfs/dbraw/zinc/33/28/96/334332896.db2.gz VKYOMCKVEQZLCI-HZPDHXFCSA-N 2 1 274.452 3.802 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(C(C)C)cc2)C1 ZINC000249382999 334332969 /nfs/dbraw/zinc/33/29/69/334332969.db2.gz VKYOMCKVEQZLCI-CVEARBPZSA-N 2 1 274.452 3.802 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC1CCC1 ZINC000249494085 334334693 /nfs/dbraw/zinc/33/46/93/334334693.db2.gz VUYAHHCKZVKRLK-MNZLEMJZSA-N 2 1 286.463 3.533 20 0 CHADMP CCc1ccc([C@H](CC)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000250529201 334345761 /nfs/dbraw/zinc/34/57/61/334345761.db2.gz TWIUJSLQGCJUBT-QYZOEREBSA-N 2 1 286.463 3.917 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1C ZINC000251164165 334357652 /nfs/dbraw/zinc/35/76/52/334357652.db2.gz MNAKRGZPBCIJMU-JQHSSLGASA-N 2 1 272.436 3.581 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000251296229 334359537 /nfs/dbraw/zinc/35/95/37/334359537.db2.gz AQMYUEGIVPUNSN-ULQDDVLXSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251538947 334363711 /nfs/dbraw/zinc/36/37/11/334363711.db2.gz ARIDXTVOXOLPDO-JKIFEVAISA-N 2 1 274.452 3.714 20 0 CHADMP C[C@@H]1CCC[C@H](CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000251665937 334366373 /nfs/dbraw/zinc/36/63/73/334366373.db2.gz GFQRVPHKZDVFHZ-NQNKBUKLSA-N 2 1 266.473 3.521 20 0 CHADMP CC[C@@H](C)C[C@@H](CC)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000251672519 334366639 /nfs/dbraw/zinc/36/66/39/334366639.db2.gz COIJQWRMOHFKNO-DQIHPLBOSA-N 2 1 266.473 3.806 20 0 CHADMP CC[C@@H](C)C[C@@H](CC)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000251672519 334366637 /nfs/dbraw/zinc/36/66/37/334366637.db2.gz COIJQWRMOHFKNO-DQIHPLBOSA-N 2 1 266.473 3.806 20 0 CHADMP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000252194116 334376243 /nfs/dbraw/zinc/37/62/43/334376243.db2.gz VHNOWRQDYJNYHV-UCHQMPSGSA-N 2 1 278.484 3.806 20 0 CHADMP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000252194116 334376245 /nfs/dbraw/zinc/37/62/45/334376245.db2.gz VHNOWRQDYJNYHV-UCHQMPSGSA-N 2 1 278.484 3.806 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CC(C)(C)c2ccccc2)C1 ZINC000252440251 334379946 /nfs/dbraw/zinc/37/99/46/334379946.db2.gz YYVXTJHGSQVJDT-SJORKVTESA-N 2 1 288.479 3.674 20 0 CHADMP CSc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252641403 334383772 /nfs/dbraw/zinc/38/37/72/334383772.db2.gz LTIWQEPGMDIPMM-IMJJTQAJSA-N 2 1 290.476 3.686 20 0 CHADMP CC[C@@H](NCCC[N@H+]1CCCC[C@H]1C)c1ccc(F)cn1 ZINC000252769392 334392168 /nfs/dbraw/zinc/39/21/68/334392168.db2.gz JVPRNBMYUARFHP-GDBMZVCRSA-N 2 1 293.430 3.526 20 0 CHADMP CC(C)Cc1ccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000276710917 334804732 /nfs/dbraw/zinc/80/47/32/334804732.db2.gz VPYQJARLFBYPPN-OAHLLOKOSA-N 2 1 285.435 3.512 20 0 CHADMP Cc1cccc(CC[C@@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C)c1 ZINC000380791943 336030136 /nfs/dbraw/zinc/03/01/36/336030136.db2.gz IPUHMPJPZMLBFO-SJORKVTESA-N 2 1 276.468 3.634 20 0 CHADMP Cc1cccc(CC[C@@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C)c1 ZINC000380791943 336030138 /nfs/dbraw/zinc/03/01/38/336030138.db2.gz IPUHMPJPZMLBFO-SJORKVTESA-N 2 1 276.468 3.634 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000581259007 336033246 /nfs/dbraw/zinc/03/32/46/336033246.db2.gz VCWWVPAFTZORPQ-UHFFFAOYSA-N 2 1 299.462 3.782 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000581259007 336033248 /nfs/dbraw/zinc/03/32/48/336033248.db2.gz VCWWVPAFTZORPQ-UHFFFAOYSA-N 2 1 299.462 3.782 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000347060934 533770038 /nfs/dbraw/zinc/77/00/38/533770038.db2.gz YCTHGSJOWHAGQT-ZIAGYGMSSA-N 2 1 280.843 3.516 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC000125944429 519678073 /nfs/dbraw/zinc/67/80/73/519678073.db2.gz DAAMAGIQCOKUIR-LSDHHAIUSA-N 2 1 278.415 3.597 20 0 CHADMP CC(C)[NH2+]C1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000077281124 519719221 /nfs/dbraw/zinc/71/92/21/519719221.db2.gz IHXPLOOSLAXUHL-UHFFFAOYSA-N 2 1 294.870 3.735 20 0 CHADMP CC(C)[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000276720991 519798931 /nfs/dbraw/zinc/79/89/31/519798931.db2.gz WQCZMCLKMHTJEN-MRXNPFEDSA-N 2 1 291.826 3.603 20 0 CHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2nccc3ccccc32)C1 ZINC000289661138 519862090 /nfs/dbraw/zinc/86/20/90/519862090.db2.gz IRKIQUVPHQNJMC-HOTGVXAUSA-N 2 1 297.446 3.617 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2nccc3ccccc32)C1 ZINC000289661138 519862092 /nfs/dbraw/zinc/86/20/92/519862092.db2.gz IRKIQUVPHQNJMC-HOTGVXAUSA-N 2 1 297.446 3.617 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000289971539 520625450 /nfs/dbraw/zinc/62/54/50/520625450.db2.gz XJIVEDVWHAZBSI-HNNXBMFYSA-N 2 1 285.435 3.617 20 0 CHADMP CCC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccsc1 ZINC000276877489 520774619 /nfs/dbraw/zinc/77/46/19/520774619.db2.gz FTBNCOLCQHWGJU-OAHLLOKOSA-N 2 1 277.437 3.774 20 0 CHADMP CC[NH+]1CCC([NH2+]C2CC(c3ccc(Cl)cc3)C2)CC1 ZINC000038098084 521576837 /nfs/dbraw/zinc/57/68/37/521576837.db2.gz WXPJMRGTTXGZNC-UHFFFAOYSA-N 2 1 292.854 3.660 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(C)s1 ZINC000290641949 521662465 /nfs/dbraw/zinc/66/24/65/521662465.db2.gz YOYJEOPKLAJKCG-UHFFFAOYSA-N 2 1 291.464 3.728 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(C)s1 ZINC000290641949 521662469 /nfs/dbraw/zinc/66/24/69/521662469.db2.gz YOYJEOPKLAJKCG-UHFFFAOYSA-N 2 1 291.464 3.728 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1sccc1C ZINC000290317948 521662964 /nfs/dbraw/zinc/66/29/64/521662964.db2.gz CSKBMGYKDDQHOU-UHFFFAOYSA-N 2 1 291.464 3.728 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1sccc1C ZINC000290317948 521662968 /nfs/dbraw/zinc/66/29/68/521662968.db2.gz CSKBMGYKDDQHOU-UHFFFAOYSA-N 2 1 291.464 3.728 20 0 CHADMP CC[C@H](CSC)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340314512 522287210 /nfs/dbraw/zinc/28/72/10/522287210.db2.gz DHPYKELGOSNNIU-BRWVUGGUSA-N 2 1 292.492 3.553 20 0 CHADMP CC[C@H](CSC)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340314512 522287215 /nfs/dbraw/zinc/28/72/15/522287215.db2.gz DHPYKELGOSNNIU-BRWVUGGUSA-N 2 1 292.492 3.553 20 0 CHADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277099004 522944379 /nfs/dbraw/zinc/94/43/79/522944379.db2.gz GIZWALAZHMFSLN-DLBZAZTESA-N 2 1 260.425 3.554 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000130145316 524027231 /nfs/dbraw/zinc/02/72/31/524027231.db2.gz SWPJMDRTXBSCHN-FHLIZLRMSA-N 2 1 272.436 3.526 20 0 CHADMP CCc1ccc([C@H](CC)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000156568579 524048225 /nfs/dbraw/zinc/04/82/25/524048225.db2.gz KPIIDHVZCXHACW-OLMNPRSZSA-N 2 1 274.452 3.772 20 0 CHADMP CCc1ccc([C@H](CC)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000156568579 524048227 /nfs/dbraw/zinc/04/82/27/524048227.db2.gz KPIIDHVZCXHACW-OLMNPRSZSA-N 2 1 274.452 3.772 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)C1C(C)(C)C1(C)C ZINC000354511911 534768420 /nfs/dbraw/zinc/76/84/20/534768420.db2.gz WJXXNIPSBDCJNZ-CYBMUJFWSA-N 2 1 277.456 3.632 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)c2ccccc21 ZINC000278850580 524700927 /nfs/dbraw/zinc/70/09/27/524700927.db2.gz ACUFPXWHNIELPB-RKVPGOIHSA-N 2 1 295.430 3.674 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc2sccc2c1 ZINC000289904401 524909784 /nfs/dbraw/zinc/90/97/84/524909784.db2.gz UDCNXSXOESJBNS-WWGRRREGSA-N 2 1 288.460 3.720 20 0 CHADMP C[C@@H]([NH2+]C/C=C/c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000299105761 525392677 /nfs/dbraw/zinc/39/26/77/525392677.db2.gz VCMVFYMPGZATAM-LVJUENIKSA-N 2 1 298.474 3.942 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1csc(Cl)c1 ZINC000279054127 525398530 /nfs/dbraw/zinc/39/85/30/525398530.db2.gz YHKUNUXTCDOAHU-QWRGUYRKSA-N 2 1 295.839 3.511 20 0 CHADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000157482267 525419053 /nfs/dbraw/zinc/41/90/53/525419053.db2.gz XMZUCWAPIAIUSZ-VHSSKADRSA-N 2 1 266.388 3.790 20 0 CHADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(Cl)cn1 ZINC000274943005 525668030 /nfs/dbraw/zinc/66/80/30/525668030.db2.gz TXPLHNGHESAAPX-IUODEOHRSA-N 2 1 297.874 3.752 20 0 CHADMP Cc1ccoc1C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000266201992 525805813 /nfs/dbraw/zinc/80/58/13/525805813.db2.gz LIYRGFCQGJUQND-UHFFFAOYSA-N 2 1 286.419 3.718 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000279840853 526052704 /nfs/dbraw/zinc/05/27/04/526052704.db2.gz HPAYBYAGHPMPKT-STQMWFEESA-N 2 1 280.843 3.516 20 0 CHADMP c1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649276 526501277 /nfs/dbraw/zinc/50/12/77/526501277.db2.gz VUVJMDHBDMLYCS-HNAYVOBHSA-N 2 1 284.447 3.528 20 0 CHADMP c1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649277 526501351 /nfs/dbraw/zinc/50/13/51/526501351.db2.gz VUVJMDHBDMLYCS-BEFAXECRSA-N 2 1 284.447 3.528 20 0 CHADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@H]1CCCCc3ccccc31)C2 ZINC000275548551 526538328 /nfs/dbraw/zinc/53/83/28/526538328.db2.gz NEGQLCOQNYUVQR-QAPCUYQASA-N 2 1 295.430 3.503 20 0 CHADMP c1[nH+]c(C2CC[NH+](C[C@H]3CC=CCC3)CC2)n2c1CCCC2 ZINC000279364426 526594611 /nfs/dbraw/zinc/59/46/11/526594611.db2.gz HLITZIATEFPHOW-INIZCTEOSA-N 2 1 299.462 3.755 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000274295797 527422227 /nfs/dbraw/zinc/42/22/27/527422227.db2.gz SEVFTEDUJQVDCC-ZWKOTPCHSA-N 2 1 297.446 3.754 20 0 CHADMP CC(C)CCC[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352245707 527705629 /nfs/dbraw/zinc/70/56/29/527705629.db2.gz JHFNAVRSEFFCCF-CYBMUJFWSA-N 2 1 283.485 3.509 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3occc3c2)[C@H](C)C1 ZINC000347862863 527755386 /nfs/dbraw/zinc/75/53/86/527755386.db2.gz WVRFIPOJNSEWCG-RHSMWYFYSA-N 2 1 286.419 3.595 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc3occc3c2)[C@H](C)C1 ZINC000347862863 527755391 /nfs/dbraw/zinc/75/53/91/527755391.db2.gz WVRFIPOJNSEWCG-RHSMWYFYSA-N 2 1 286.419 3.595 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc3occc3c2)[C@H](C)C1 ZINC000347862863 527755398 /nfs/dbraw/zinc/75/53/98/527755398.db2.gz WVRFIPOJNSEWCG-RHSMWYFYSA-N 2 1 286.419 3.595 20 0 CHADMP CCC[C@H](CC)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192923779 528104983 /nfs/dbraw/zinc/10/49/83/528104983.db2.gz SVNUNKFBFAYERS-MSOLQXFVSA-N 2 1 274.452 3.677 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCCc1ccccc1 ZINC000191478953 528862046 /nfs/dbraw/zinc/86/20/46/528862046.db2.gz MGDHCACEASMJPW-UHFFFAOYSA-N 2 1 299.462 3.790 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCCc1ccccc1 ZINC000191478953 528862050 /nfs/dbraw/zinc/86/20/50/528862050.db2.gz MGDHCACEASMJPW-UHFFFAOYSA-N 2 1 299.462 3.790 20 0 CHADMP CCC[C@@H](CC)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192923742 528923002 /nfs/dbraw/zinc/92/30/02/528923002.db2.gz SVNUNKFBFAYERS-ZWKOTPCHSA-N 2 1 274.452 3.677 20 0 CHADMP CC[N@@H+]1CCC[C@@H]1CNCc1ccc(-c2ccccc2)cc1 ZINC000022936479 567948506 /nfs/dbraw/zinc/94/85/06/567948506.db2.gz ZOWCFDFANYUDIP-HXUWFJFHSA-N 2 1 294.442 3.928 20 0 CHADMP CC[N@H+]1CCC[C@@H]1CNCc1ccc(-c2ccccc2)cc1 ZINC000022936479 567948508 /nfs/dbraw/zinc/94/85/08/567948508.db2.gz ZOWCFDFANYUDIP-HXUWFJFHSA-N 2 1 294.442 3.928 20 0 CHADMP CC(C)[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000035054255 1117766981 /nfs/dbraw/zinc/76/69/81/1117766981.db2.gz KSOHKZZGBABQKN-MRXNPFEDSA-N 2 1 280.843 3.721 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccsc1 ZINC000624123556 1117986831 /nfs/dbraw/zinc/98/68/31/1117986831.db2.gz NZNWQVHZNACVSP-UKRRQHHQSA-N 2 1 266.454 3.521 20 0 CHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc2ncccc2c1 ZINC000130882505 1125486399 /nfs/dbraw/zinc/48/63/99/1125486399.db2.gz OENIJWXDCZOIQA-SFHVURJKSA-N 2 1 297.446 3.541 20 0 CHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc2ncccc2c1 ZINC000130882505 1125486401 /nfs/dbraw/zinc/48/64/01/1125486401.db2.gz OENIJWXDCZOIQA-SFHVURJKSA-N 2 1 297.446 3.541 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc2ncccc2c1 ZINC000130882505 1125486404 /nfs/dbraw/zinc/48/64/04/1125486404.db2.gz OENIJWXDCZOIQA-SFHVURJKSA-N 2 1 297.446 3.541 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc2ncccc2c1 ZINC000130882505 1125486408 /nfs/dbraw/zinc/48/64/08/1125486408.db2.gz OENIJWXDCZOIQA-SFHVURJKSA-N 2 1 297.446 3.541 20 0 CHADMP CC(C)CCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000685455216 1119610475 /nfs/dbraw/zinc/61/04/75/1119610475.db2.gz KXMFLCVIAMZXSL-HOTGVXAUSA-N 2 1 254.462 3.521 20 0 CHADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc(Cl)c1 ZINC000019913154 1120491450 /nfs/dbraw/zinc/49/14/50/1120491450.db2.gz SIARLGJSUWODBC-AWEZNQCLSA-N 2 1 280.843 3.694 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc(Cl)c1 ZINC000019913154 1120491451 /nfs/dbraw/zinc/49/14/51/1120491451.db2.gz SIARLGJSUWODBC-AWEZNQCLSA-N 2 1 280.843 3.694 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)c(C)c1 ZINC000221921092 1120938093 /nfs/dbraw/zinc/93/80/93/1120938093.db2.gz MQDPDYCMLPMHMW-MRXNPFEDSA-N 2 1 262.441 3.684 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000676207459 1121413296 /nfs/dbraw/zinc/41/32/96/1121413296.db2.gz IYXDLBSCZAYHJU-UONOGXRCSA-N 2 1 290.442 3.910 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000676207459 1121413298 /nfs/dbraw/zinc/41/32/98/1121413298.db2.gz IYXDLBSCZAYHJU-UONOGXRCSA-N 2 1 290.442 3.910 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC001182115885 1122110230 /nfs/dbraw/zinc/11/02/30/1122110230.db2.gz VKMJOLAPPWBMCM-OAGGEKHMSA-N 2 1 268.489 3.911 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC001182115885 1122110232 /nfs/dbraw/zinc/11/02/32/1122110232.db2.gz VKMJOLAPPWBMCM-OAGGEKHMSA-N 2 1 268.489 3.911 20 0 CHADMP CCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCC)C1)c1ccsc1 ZINC000191215662 1123398102 /nfs/dbraw/zinc/39/81/02/1123398102.db2.gz QOBVXISGHKQCFB-GOEBONIOSA-N 2 1 280.481 3.911 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCC(F)(F)F)C[C@H]1C ZINC000443621207 1123448837 /nfs/dbraw/zinc/44/88/37/1123448837.db2.gz LJTWQLAQBFZMHX-CHWSQXEVSA-N 2 1 280.378 3.524 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCC(F)(F)F)C[C@H]1C ZINC000443621207 1123448838 /nfs/dbraw/zinc/44/88/38/1123448838.db2.gz LJTWQLAQBFZMHX-CHWSQXEVSA-N 2 1 280.378 3.524 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCC(F)(F)F)C[C@H]1C ZINC000443621207 1123448840 /nfs/dbraw/zinc/44/88/40/1123448840.db2.gz LJTWQLAQBFZMHX-CHWSQXEVSA-N 2 1 280.378 3.524 20 0 CHADMP CCC[C@H]1CCCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000179520407 1125286058 /nfs/dbraw/zinc/28/60/58/1125286058.db2.gz ZJXLQPJTIIFRMG-INIZCTEOSA-N 2 1 263.429 3.626 20 0 CHADMP CCC[C@H]1CCCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000179520407 1125286061 /nfs/dbraw/zinc/28/60/61/1125286061.db2.gz ZJXLQPJTIIFRMG-INIZCTEOSA-N 2 1 263.429 3.626 20 0 CHADMP CCCCCC[C@H](CC)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001246598929 1131712236 /nfs/dbraw/zinc/71/22/36/1131712236.db2.gz AAVDBZMTZMBEPN-IRXDYDNUSA-N 2 1 266.473 3.811 20 0 CHADMP CCCCC[C@@H]([NH2+]CCCc1c[nH+]cn1C)C(C)(C)C ZINC000846849290 1131751149 /nfs/dbraw/zinc/75/11/49/1131751149.db2.gz LMYCBEPTAHGAEA-MRXNPFEDSA-N 2 1 279.472 3.937 20 0 CHADMP CCC[C@H](C)CC[C@@H](C)[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246643978 1131768185 /nfs/dbraw/zinc/76/81/85/1131768185.db2.gz OQEQBEJVUPLEET-GVDBMIGSSA-N 2 1 266.473 3.809 20 0 CHADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246643978 1131768192 /nfs/dbraw/zinc/76/81/92/1131768192.db2.gz OQEQBEJVUPLEET-GVDBMIGSSA-N 2 1 266.473 3.809 20 0 CHADMP C[NH+]1C(C)(C)CC([NH+]2CCC3(CC3)CC2)CC1(C)C ZINC001171632210 1132063160 /nfs/dbraw/zinc/06/31/60/1132063160.db2.gz WZLXQKZRLQQRRZ-UHFFFAOYSA-N 2 1 264.457 3.514 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)CC1CCC1)C2 ZINC001172109489 1132130172 /nfs/dbraw/zinc/13/01/72/1132130172.db2.gz DLSHMLSKKAKRGD-MUJYYYPQSA-N 2 1 264.457 3.560 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)CC1CCC1)C2 ZINC001172109489 1132130176 /nfs/dbraw/zinc/13/01/76/1132130176.db2.gz DLSHMLSKKAKRGD-MUJYYYPQSA-N 2 1 264.457 3.560 20 0 CHADMP CC[C@@H](CC(C)C)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172401997 1132223740 /nfs/dbraw/zinc/22/37/40/1132223740.db2.gz RLJXOMKOEQVBTM-ZOBUZTSGSA-N 2 1 266.473 3.936 20 0 CHADMP CCC[N@H+](Cc1cc(F)cc(C[NH+](C)C)c1)CC(C)C ZINC001232149045 1132427812 /nfs/dbraw/zinc/42/78/12/1132427812.db2.gz JIESGSDCWVFHNB-UHFFFAOYSA-N 2 1 280.431 3.755 20 0 CHADMP Cc1ccc(Cl)cc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC001233249869 1132589656 /nfs/dbraw/zinc/58/96/56/1132589656.db2.gz LMKRWGOSYICVLD-UHFFFAOYSA-N 2 1 280.843 3.566 20 0 CHADMP Cc1ccc(Cl)cc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001233249869 1132589660 /nfs/dbraw/zinc/58/96/60/1132589660.db2.gz LMKRWGOSYICVLD-UHFFFAOYSA-N 2 1 280.843 3.566 20 0 CHADMP CC[C@H]1CCCC[C@@H]1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001205535157 1133585423 /nfs/dbraw/zinc/58/54/23/1133585423.db2.gz GDUCRANJZYJCGX-DLBZAZTESA-N 2 1 266.473 3.621 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205537601 1133585940 /nfs/dbraw/zinc/58/59/40/1133585940.db2.gz INNPOXZYEQFCDX-HOTGVXAUSA-N 2 1 270.436 3.522 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222232861 1135211618 /nfs/dbraw/zinc/21/16/18/1135211618.db2.gz XSLPCZXHSIHBRH-CWIOURORSA-N 2 1 264.457 3.731 20 0 CHADMP Cc1c[nH+]ccc1NCc1ccccc1C[N@H+](C)C(C)C ZINC000191979011 1129238546 /nfs/dbraw/zinc/23/85/46/1129238546.db2.gz URPGBIIUMHYCAI-UHFFFAOYSA-N 2 1 283.419 3.842 20 0 CHADMP C[N@@H+](Cc1csc2ccccc12)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000054465516 1125540804 /nfs/dbraw/zinc/54/08/04/1125540804.db2.gz WSIWMLOBWMDSOW-YIONKMFJSA-N 2 1 286.444 3.616 20 0 CHADMP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3ccoc3)c2)CC1 ZINC000729683325 1125545090 /nfs/dbraw/zinc/54/50/90/1125545090.db2.gz ZYBPXLIGZHSNIE-UHFFFAOYSA-N 2 1 298.430 3.801 20 0 CHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1CC=CC1 ZINC001203149038 1125546119 /nfs/dbraw/zinc/54/61/19/1125546119.db2.gz BMIBDOYCUMSEMH-UHFFFAOYSA-N 2 1 286.463 3.700 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205980783 1125560879 /nfs/dbraw/zinc/56/08/79/1125560879.db2.gz AEWBEVXAUPCEQX-FEFZKZJHSA-N 2 1 266.473 3.820 20 0 CHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000105457293 1125568443 /nfs/dbraw/zinc/56/84/43/1125568443.db2.gz MRNHSZIKCMPQIX-VYDXJSESSA-N 2 1 290.451 3.613 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000105457293 1125568445 /nfs/dbraw/zinc/56/84/45/1125568445.db2.gz MRNHSZIKCMPQIX-VYDXJSESSA-N 2 1 290.451 3.613 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCSc3ccccc32)[C@@H](C)C1 ZINC000246971160 1125651220 /nfs/dbraw/zinc/65/12/20/1125651220.db2.gz JEFMJIQKJPGPDN-CWRNSKLLSA-N 2 1 290.476 3.543 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccsc1 ZINC000247177111 1125654179 /nfs/dbraw/zinc/65/41/79/1125654179.db2.gz UXLLBRIDDJOQPD-HUUCEWRRSA-N 2 1 280.481 3.911 20 0 CHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc2cccnc21 ZINC000075860332 1125658115 /nfs/dbraw/zinc/65/81/15/1125658115.db2.gz GLMTUJJPWXAUQO-GOSISDBHSA-N 2 1 297.446 3.541 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccc2cccnc21 ZINC000075860332 1125658117 /nfs/dbraw/zinc/65/81/17/1125658117.db2.gz GLMTUJJPWXAUQO-GOSISDBHSA-N 2 1 297.446 3.541 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccc2cccnc21 ZINC000075860332 1125658118 /nfs/dbraw/zinc/65/81/18/1125658118.db2.gz GLMTUJJPWXAUQO-GOSISDBHSA-N 2 1 297.446 3.541 20 0 CHADMP CCC(CC)C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886659590 1125704111 /nfs/dbraw/zinc/70/41/11/1125704111.db2.gz QIGJLTBMOBHXGU-UHFFFAOYSA-N 2 1 263.429 3.642 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1 ZINC000161515962 1125705015 /nfs/dbraw/zinc/70/50/15/1125705015.db2.gz HGQQDUXUTXOJJO-JTQLQIEISA-N 2 1 287.234 3.738 20 0 CHADMP Cc1[nH]c(C2CC[NH+](Cc3ccc(F)cc3)CC2)[nH+]c1C ZINC000886662650 1125705715 /nfs/dbraw/zinc/70/57/15/1125705715.db2.gz JBRVTPJJLFCGTH-UHFFFAOYSA-N 2 1 287.382 3.545 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(C)c1 ZINC000285647516 1125715372 /nfs/dbraw/zinc/71/53/72/1125715372.db2.gz MDUAOPTVHIDJMO-QAPCUYQASA-N 2 1 272.436 3.520 20 0 CHADMP CCC[N@@H+](Cc1ccc(C)c(Cl)c1)C1CC[NH2+]CC1 ZINC000261658766 1125737591 /nfs/dbraw/zinc/73/75/91/1125737591.db2.gz BLLIVWHPYGXYHS-UHFFFAOYSA-N 2 1 280.843 3.612 20 0 CHADMP CS[C@H](C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000090725415 1125745554 /nfs/dbraw/zinc/74/55/54/1125745554.db2.gz MKAMMSBBDOIBJM-OLZOCXBDSA-N 2 1 289.448 3.583 20 0 CHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C3CCC3)cc2)CCN1C ZINC000508734830 1125786368 /nfs/dbraw/zinc/78/63/68/1125786368.db2.gz QHURWYXRIWTTMU-DNVCBOLYSA-N 2 1 286.463 3.869 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C3CCC3)cc2)CC[N@@H+]1C ZINC000508734830 1125786374 /nfs/dbraw/zinc/78/63/74/1125786374.db2.gz QHURWYXRIWTTMU-DNVCBOLYSA-N 2 1 286.463 3.869 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C3CCC3)cc2)CC[N@H+]1C ZINC000508734830 1125786379 /nfs/dbraw/zinc/78/63/79/1125786379.db2.gz QHURWYXRIWTTMU-DNVCBOLYSA-N 2 1 286.463 3.869 20 0 CHADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C3CCC3)cc2)CC[NH+]1C ZINC000508734830 1125786386 /nfs/dbraw/zinc/78/63/86/1125786386.db2.gz QHURWYXRIWTTMU-DNVCBOLYSA-N 2 1 286.463 3.869 20 0 CHADMP CSC(C)(C)C[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC001258320840 1129193598 /nfs/dbraw/zinc/19/35/98/1129193598.db2.gz FSKPCWIGSPUKBW-GJZGRUSLSA-N 2 1 286.529 3.761 20 0 CHADMP Cc1cc(C(F)(F)F)cc(NC(C)(C)CC[NH+](C)C)[nH+]1 ZINC001169711897 1129750549 /nfs/dbraw/zinc/75/05/49/1129750549.db2.gz STXUYDIEAAAVRD-UHFFFAOYSA-N 2 1 289.345 3.551 20 0 CHADMP C[C@@H]([NH2+]CCSC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000801937934 1129961302 /nfs/dbraw/zinc/96/13/02/1129961302.db2.gz BQAVTNUFJMUZMR-CABCVRRESA-N 2 1 298.540 3.761 20 0 CHADMP CC(C)CCC[C@H](C)[N@H+](CCN)Cc1ccccc1 ZINC001170057790 1130095045 /nfs/dbraw/zinc/09/50/45/1130095045.db2.gz NIODANJWOSMHRI-INIZCTEOSA-N 2 1 262.441 3.662 20 0 CHADMP CC(C)CCC[C@H](C)[N@@H+](CCN)Cc1ccccc1 ZINC001170057790 1130095049 /nfs/dbraw/zinc/09/50/49/1130095049.db2.gz NIODANJWOSMHRI-INIZCTEOSA-N 2 1 262.441 3.662 20 0 CHADMP CC(C)CCC[C@H](C)[N@H+](CC[NH3+])Cc1ccccc1 ZINC001170057790 1130095054 /nfs/dbraw/zinc/09/50/54/1130095054.db2.gz NIODANJWOSMHRI-INIZCTEOSA-N 2 1 262.441 3.662 20 0 CHADMP CC(C)CCC[C@H](C)[N@@H+](CC[NH3+])Cc1ccccc1 ZINC001170057790 1130095060 /nfs/dbraw/zinc/09/50/60/1130095060.db2.gz NIODANJWOSMHRI-INIZCTEOSA-N 2 1 262.441 3.662 20 0 CHADMP CC(C)CCC[C@@H](C)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001170063568 1130113339 /nfs/dbraw/zinc/11/33/39/1130113339.db2.gz FOLXFVQCENFHTH-MRXNPFEDSA-N 3 1 299.547 3.677 20 0 CHADMP CSC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001258331392 1129208730 /nfs/dbraw/zinc/20/87/30/1129208730.db2.gz NJLKZIHCZIMLBS-SOUVJXGZSA-N 2 1 286.529 3.615 20 0 CHADMP Cc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2C)C2CCC2)o1 ZINC000338016005 1126710893 /nfs/dbraw/zinc/71/08/93/1126710893.db2.gz YOYSVSHUGITIKN-KRWDZBQOSA-N 2 1 287.407 3.614 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000338015428 1126711109 /nfs/dbraw/zinc/71/11/09/1126711109.db2.gz SUDGKOBYYFMZSA-HNNXBMFYSA-N 2 1 297.446 3.811 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000556037537 1126729843 /nfs/dbraw/zinc/72/98/43/1126729843.db2.gz COPYJUFZYHESSL-OALUTQOASA-N 2 1 298.405 3.751 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000556037537 1126729846 /nfs/dbraw/zinc/72/98/46/1126729846.db2.gz COPYJUFZYHESSL-OALUTQOASA-N 2 1 298.405 3.751 20 0 CHADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000481955689 1126735342 /nfs/dbraw/zinc/73/53/42/1126735342.db2.gz WXFCLZTXXPWFSU-CABCVRRESA-N 2 1 286.419 3.937 20 0 CHADMP CCCc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000481973940 1126736337 /nfs/dbraw/zinc/73/63/37/1126736337.db2.gz BCNJBWBPSYLCSH-IBGZPJMESA-N 2 1 286.463 3.557 20 0 CHADMP Cc1cc2[nH]c(C[NH+](C)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2c(C)c1 ZINC000482007844 1126738608 /nfs/dbraw/zinc/73/86/08/1126738608.db2.gz KQTLNCRSNIXUGV-RDJZCZTQSA-N 2 1 299.462 3.699 20 0 CHADMP Cc1cc2[nH]c(C[NH+](C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2c(C)c1 ZINC000482007844 1126738609 /nfs/dbraw/zinc/73/86/09/1126738609.db2.gz KQTLNCRSNIXUGV-RDJZCZTQSA-N 2 1 299.462 3.699 20 0 CHADMP Cc1cc2[nH]c(C[N@@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)cc2c(C)c1 ZINC000482007844 1126738611 /nfs/dbraw/zinc/73/86/11/1126738611.db2.gz KQTLNCRSNIXUGV-RDJZCZTQSA-N 2 1 299.462 3.699 20 0 CHADMP Cc1cc2[nH]c(C[N@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)cc2c(C)c1 ZINC000482007844 1126738613 /nfs/dbraw/zinc/73/86/13/1126738613.db2.gz KQTLNCRSNIXUGV-RDJZCZTQSA-N 2 1 299.462 3.699 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000482231977 1126746850 /nfs/dbraw/zinc/74/68/50/1126746850.db2.gz YFICIKOJQDPANH-OKZBNKHCSA-N 2 1 278.484 3.785 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000482231977 1126746854 /nfs/dbraw/zinc/74/68/54/1126746854.db2.gz YFICIKOJQDPANH-OKZBNKHCSA-N 2 1 278.484 3.785 20 0 CHADMP CC(C)=CCC[C@H](C)CC[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000482231977 1126746856 /nfs/dbraw/zinc/74/68/56/1126746856.db2.gz YFICIKOJQDPANH-OKZBNKHCSA-N 2 1 278.484 3.785 20 0 CHADMP CC(C)=CCC[C@H](C)CC[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000482231977 1126746861 /nfs/dbraw/zinc/74/68/61/1126746861.db2.gz YFICIKOJQDPANH-OKZBNKHCSA-N 2 1 278.484 3.785 20 0 CHADMP C[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000483135682 1126769160 /nfs/dbraw/zinc/76/91/60/1126769160.db2.gz GKNYMUPTEFATOJ-WRQOLXDDSA-N 2 1 266.473 3.521 20 0 CHADMP CC(C)c1ccc(CCC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000483181049 1126771359 /nfs/dbraw/zinc/77/13/59/1126771359.db2.gz KOWLLPDMSHSONL-QFBILLFUSA-N 2 1 288.479 3.672 20 0 CHADMP CCc1ccc([C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)o1 ZINC000483158465 1126770894 /nfs/dbraw/zinc/77/08/94/1126770894.db2.gz UQGDJDWUOSDTHO-BBRMVZONSA-N 2 1 280.456 3.859 20 0 CHADMP CC(C)[C@H](C)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000483303144 1126780098 /nfs/dbraw/zinc/78/00/98/1126780098.db2.gz DBWXXQRYLXAVNR-MJQMVNBJSA-N 2 1 288.479 3.777 20 0 CHADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251769106 1126794506 /nfs/dbraw/zinc/79/45/06/1126794506.db2.gz MIIDNYJTCMSJSJ-DAXOMENPSA-N 2 1 280.843 3.850 20 0 CHADMP CC[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)s2)CC[C@H]1[NH3+] ZINC000251757870 1126794905 /nfs/dbraw/zinc/79/49/05/1126794905.db2.gz LTAYBIVQGPLEFL-TZMCWYRMSA-N 2 1 280.481 3.605 20 0 CHADMP CCSc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000483750613 1126800064 /nfs/dbraw/zinc/80/00/64/1126800064.db2.gz VVYQBVFFNZMPBA-KKUMJFAQSA-N 2 1 292.492 3.932 20 0 CHADMP CCSc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000483750613 1126800066 /nfs/dbraw/zinc/80/00/66/1126800066.db2.gz VVYQBVFFNZMPBA-KKUMJFAQSA-N 2 1 292.492 3.932 20 0 CHADMP CC(C)[NH+](CCC[NH2+][C@@H](C)c1ccc(F)cc1)C(C)C ZINC000483847007 1126802421 /nfs/dbraw/zinc/80/24/21/1126802421.db2.gz DBNISVIRSIIHLM-HNNXBMFYSA-N 2 1 280.431 3.985 20 0 CHADMP C[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2n1)C[NH+]1CCCC1 ZINC000178244331 1126810459 /nfs/dbraw/zinc/81/04/59/1126810459.db2.gz SWTZKCQGJUIDQD-HOTGVXAUSA-N 2 1 297.446 3.617 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C2CC2)cc1 ZINC000178366205 1126812085 /nfs/dbraw/zinc/81/20/85/1126812085.db2.gz WZULGMGWBKQQFZ-CHWSQXEVSA-N 2 1 269.392 3.630 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C2CC2)cc1 ZINC000178366192 1126812261 /nfs/dbraw/zinc/81/22/61/1126812261.db2.gz WZULGMGWBKQQFZ-STQMWFEESA-N 2 1 269.392 3.630 20 0 CHADMP c1c2ccccc2[nH]c1[C@@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000178972400 1126822193 /nfs/dbraw/zinc/82/21/93/1126822193.db2.gz YTDJKMKNEQFKAW-IBGZPJMESA-N 2 1 297.446 3.695 20 0 CHADMP [NH3+][C@H](C[NH2+][C@@H]1CCC[C@H](c2ccccc2)CC1)CC(F)F ZINC000904470607 1126853818 /nfs/dbraw/zinc/85/38/18/1126853818.db2.gz ZQLVPMZIDWGMPM-HRCADAONSA-N 2 1 296.405 3.675 20 0 CHADMP C[C@@H](CCc1cccc(F)c1)[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000183356950 1126885735 /nfs/dbraw/zinc/88/57/35/1126885735.db2.gz UODSPOJBOUMOPP-MPGHIAIKSA-N 2 1 292.442 3.561 20 0 CHADMP C[C@@H](CCc1cccc(F)c1)[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000183356950 1126885740 /nfs/dbraw/zinc/88/57/40/1126885740.db2.gz UODSPOJBOUMOPP-MPGHIAIKSA-N 2 1 292.442 3.561 20 0 CHADMP C[C@@H](CCc1cccc(F)c1)[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000183356950 1126885748 /nfs/dbraw/zinc/88/57/48/1126885748.db2.gz UODSPOJBOUMOPP-MPGHIAIKSA-N 2 1 292.442 3.561 20 0 CHADMP C[C@@H](CCc1cccc(F)c1)[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000183356950 1126885751 /nfs/dbraw/zinc/88/57/51/1126885751.db2.gz UODSPOJBOUMOPP-MPGHIAIKSA-N 2 1 292.442 3.561 20 0 CHADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(F)cc(Cl)c2)C[C@@H]1C ZINC000485687035 1126943239 /nfs/dbraw/zinc/94/32/39/1126943239.db2.gz VFKOTIDYXGSCQW-LRDDRELGSA-N 2 1 298.833 3.784 20 0 CHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000485701174 1126945824 /nfs/dbraw/zinc/94/58/24/1126945824.db2.gz ZYALAUMJBNAGHC-CYBMUJFWSA-N 2 1 298.833 3.689 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000485701174 1126945826 /nfs/dbraw/zinc/94/58/26/1126945826.db2.gz ZYALAUMJBNAGHC-CYBMUJFWSA-N 2 1 298.833 3.689 20 0 CHADMP CCCC[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000906529296 1126956989 /nfs/dbraw/zinc/95/69/89/1126956989.db2.gz KVJCSZFCIBTTBX-HNNXBMFYSA-N 2 1 260.425 3.602 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2 ZINC000193060682 1126965719 /nfs/dbraw/zinc/96/57/19/1126965719.db2.gz QNLAMVSBSRTBSE-PHSGOXPASA-N 2 1 284.447 3.587 20 0 CHADMP CC(C)[NH+](CCC[NH2+][C@H](C)c1cccc(O)c1)C(C)C ZINC000194906742 1126977648 /nfs/dbraw/zinc/97/76/48/1126977648.db2.gz WHZKRCIWLBKEIF-OAHLLOKOSA-N 2 1 278.440 3.552 20 0 CHADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000267438614 1126999694 /nfs/dbraw/zinc/99/96/94/1126999694.db2.gz OOKATZPIFSFJEG-INIZCTEOSA-N 2 1 299.418 3.577 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000268826054 1127025337 /nfs/dbraw/zinc/02/53/37/1127025337.db2.gz QZJQBYUEEJGQLG-JTQLQIEISA-N 2 1 298.217 3.849 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000268858590 1127026587 /nfs/dbraw/zinc/02/65/87/1127026587.db2.gz MDMPCBFHVMUFTM-KRWDZBQOSA-N 2 1 283.419 3.594 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(Cl)ccc1Cl ZINC000269834343 1127046022 /nfs/dbraw/zinc/04/60/22/1127046022.db2.gz AIHXRTGQYMYXIO-UHFFFAOYSA-N 2 1 298.217 3.678 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000269943420 1127047862 /nfs/dbraw/zinc/04/78/62/1127047862.db2.gz SJRUFBAGJCXNLV-HOCLYGCPSA-N 2 1 287.407 3.648 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000269943420 1127047865 /nfs/dbraw/zinc/04/78/65/1127047865.db2.gz SJRUFBAGJCXNLV-HOCLYGCPSA-N 2 1 287.407 3.648 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000271107959 1127068697 /nfs/dbraw/zinc/06/86/97/1127068697.db2.gz BQLWTXFWDACUCN-AWEZNQCLSA-N 2 1 295.386 3.844 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC=CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000271522213 1127088610 /nfs/dbraw/zinc/08/86/10/1127088610.db2.gz QOOMRCOPEKZLIR-BHIYHBOVSA-N 2 1 284.447 3.738 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC=CCC2)CC[N@H+]1Cc1ccccc1 ZINC000271522213 1127088614 /nfs/dbraw/zinc/08/86/14/1127088614.db2.gz QOOMRCOPEKZLIR-BHIYHBOVSA-N 2 1 284.447 3.738 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC=CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000271522216 1127088924 /nfs/dbraw/zinc/08/89/24/1127088924.db2.gz QOOMRCOPEKZLIR-QRQLOZEOSA-N 2 1 284.447 3.738 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC=CCC2)CC[N@H+]1Cc1ccccc1 ZINC000271522216 1127088926 /nfs/dbraw/zinc/08/89/26/1127088926.db2.gz QOOMRCOPEKZLIR-QRQLOZEOSA-N 2 1 284.447 3.738 20 0 CHADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1csc(C(F)(F)F)c1 ZINC000924850987 1127113679 /nfs/dbraw/zinc/11/36/79/1127113679.db2.gz AEMDGJCQCHNDIK-NXEZZACHSA-N 2 1 294.386 3.758 20 0 CHADMP c1cc([C@@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)cs1 ZINC000351310108 1127188287 /nfs/dbraw/zinc/18/82/87/1127188287.db2.gz ZOKJYBFIVTUNBI-INIZCTEOSA-N 2 1 278.465 3.761 20 0 CHADMP c1cc([C@@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)cs1 ZINC000351310108 1127188290 /nfs/dbraw/zinc/18/82/90/1127188290.db2.gz ZOKJYBFIVTUNBI-INIZCTEOSA-N 2 1 278.465 3.761 20 0 CHADMP CC/C=C\CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000466806338 1127212150 /nfs/dbraw/zinc/21/21/50/1127212150.db2.gz SRHVVFPPSFEENO-HMECNJMJSA-N 2 1 286.463 3.797 20 0 CHADMP CC/C=C\CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000466806338 1127212153 /nfs/dbraw/zinc/21/21/53/1127212153.db2.gz SRHVVFPPSFEENO-HMECNJMJSA-N 2 1 286.463 3.797 20 0 CHADMP CC/C=C\CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000466806338 1127212154 /nfs/dbraw/zinc/21/21/54/1127212154.db2.gz SRHVVFPPSFEENO-HMECNJMJSA-N 2 1 286.463 3.797 20 0 CHADMP Cc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC000589837022 1127236671 /nfs/dbraw/zinc/23/66/71/1127236671.db2.gz WRMZSPXYVNRQMV-QGZVFWFLSA-N 2 1 288.479 3.905 20 0 CHADMP CC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1cccc(C)c1 ZINC000353408115 1127267594 /nfs/dbraw/zinc/26/75/94/1127267594.db2.gz YILNDAPWHSJZIB-QAPCUYQASA-N 2 1 285.435 3.877 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000353946385 1127281061 /nfs/dbraw/zinc/28/10/61/1127281061.db2.gz VNDPVSQCZSKOPH-APWZRJJASA-N 2 1 299.462 3.857 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC000287320226 1127301113 /nfs/dbraw/zinc/30/11/13/1127301113.db2.gz LSBYBJFYDWXZHV-SCTDSRPQSA-N 2 1 284.447 3.589 20 0 CHADMP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccnc(Cl)c1 ZINC000760896760 1127324606 /nfs/dbraw/zinc/32/46/06/1127324606.db2.gz JDXBOLCMIFYPCD-ZDUSSCGKSA-N 2 1 295.858 3.508 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc2ccccc21 ZINC000226327454 1127391416 /nfs/dbraw/zinc/39/14/16/1127391416.db2.gz PREAVEQNOPUMDS-ZMSDIMECSA-N 2 1 282.431 3.973 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc2ccccc21 ZINC000226327454 1127391421 /nfs/dbraw/zinc/39/14/21/1127391421.db2.gz PREAVEQNOPUMDS-ZMSDIMECSA-N 2 1 282.431 3.973 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2SC)C[C@@H]1C ZINC000358030282 1127397271 /nfs/dbraw/zinc/39/72/71/1127397271.db2.gz GLSZARZKBRBTER-HOCLYGCPSA-N 2 1 292.492 3.713 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2SC)C[C@@H]1C ZINC000358030282 1127397273 /nfs/dbraw/zinc/39/72/73/1127397273.db2.gz GLSZARZKBRBTER-HOCLYGCPSA-N 2 1 292.492 3.713 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2SC)C[C@@H]1C ZINC000358030282 1127397276 /nfs/dbraw/zinc/39/72/76/1127397276.db2.gz GLSZARZKBRBTER-HOCLYGCPSA-N 2 1 292.492 3.713 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2SC)C[C@@H]1C ZINC000358030282 1127397279 /nfs/dbraw/zinc/39/72/79/1127397279.db2.gz GLSZARZKBRBTER-HOCLYGCPSA-N 2 1 292.492 3.713 20 0 CHADMP c1ccc([C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C2CCC2)cc1 ZINC000641771114 1127415992 /nfs/dbraw/zinc/41/59/92/1127415992.db2.gz XJXAMJNUJGTFJZ-KXBFYZLASA-N 2 1 284.447 3.602 20 0 CHADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000574981061 1127459956 /nfs/dbraw/zinc/45/99/56/1127459956.db2.gz UHEINDWMKHTJND-PWSUYJOCSA-N 2 1 272.795 3.503 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(F)F)cc2)C[C@@H]1C ZINC000359615224 1127469813 /nfs/dbraw/zinc/46/98/13/1127469813.db2.gz WZFMENWIAITILV-BBRMVZONSA-N 2 1 296.405 3.929 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(F)F)cc2)C[C@@H]1C ZINC000359615224 1127469814 /nfs/dbraw/zinc/46/98/14/1127469814.db2.gz WZFMENWIAITILV-BBRMVZONSA-N 2 1 296.405 3.929 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(F)F)cc2)C[C@@H]1C ZINC000359615224 1127469817 /nfs/dbraw/zinc/46/98/17/1127469817.db2.gz WZFMENWIAITILV-BBRMVZONSA-N 2 1 296.405 3.929 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000359633988 1127470852 /nfs/dbraw/zinc/47/08/52/1127470852.db2.gz LZZQHWPPYFFBAL-OAHLLOKOSA-N 2 1 278.440 3.613 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000359633988 1127470853 /nfs/dbraw/zinc/47/08/53/1127470853.db2.gz LZZQHWPPYFFBAL-OAHLLOKOSA-N 2 1 278.440 3.613 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CCCC(F)(F)F ZINC000359629739 1127470911 /nfs/dbraw/zinc/47/09/11/1127470911.db2.gz GGPCNZJJAWROAV-VXGBXAGGSA-N 2 1 291.361 3.538 20 0 CHADMP c1ccc([C@@H]2CCC[C@@H]2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000294681447 1127591630 /nfs/dbraw/zinc/59/16/30/1127591630.db2.gz BQJKNOFLEGDEMX-WCIQWLHISA-N 2 1 298.474 3.787 20 0 CHADMP CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(F)cc1F ZINC000361972071 1127603975 /nfs/dbraw/zinc/60/39/75/1127603975.db2.gz OZKDZHJBFNPUBM-VBQJREDUSA-N 2 1 296.405 3.878 20 0 CHADMP CCC[C@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295054914 1127617446 /nfs/dbraw/zinc/61/74/46/1127617446.db2.gz PVOBAEIYXYBJPP-MVCQKVDPSA-N 2 1 286.463 3.613 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CC2=CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000401179723 1127640538 /nfs/dbraw/zinc/64/05/38/1127640538.db2.gz XSSVRAVORCVEHW-LPHOPBHVSA-N 2 1 284.447 3.739 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]2c2ccccc2)CC[N@H+]1C ZINC000295863519 1127655821 /nfs/dbraw/zinc/65/58/21/1127655821.db2.gz BPVUVCBFCGEIHK-LULLPPNCSA-N 2 1 286.463 3.643 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3CCC34CCC4)C2)cc1 ZINC000669699143 1127672232 /nfs/dbraw/zinc/67/22/32/1127672232.db2.gz SQRZGEDOIKBBPX-MOPGFXCFSA-N 2 1 298.474 3.821 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+][C@@H]3CCC34CCC4)C2)cc1 ZINC000669699145 1127672941 /nfs/dbraw/zinc/67/29/41/1127672941.db2.gz SQRZGEDOIKBBPX-RBUKOAKNSA-N 2 1 298.474 3.821 20 0 CHADMP c1ccc([C@H]2CCC[C@@H]2C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000297409268 1127695606 /nfs/dbraw/zinc/69/56/06/1127695606.db2.gz LFMUYVXHIFQPHM-YLJYHZDGSA-N 2 1 298.474 3.787 20 0 CHADMP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccsc1 ZINC000297649044 1127703069 /nfs/dbraw/zinc/70/30/69/1127703069.db2.gz KBTMWVPJHWDUPN-OAHLLOKOSA-N 2 1 277.437 3.774 20 0 CHADMP c1ccc(CC2(C[NH2+]C3CC[NH+](C4CC4)CC3)CCC2)cc1 ZINC000297691020 1127705014 /nfs/dbraw/zinc/70/50/14/1127705014.db2.gz PUEMGHVUJOMWHV-UHFFFAOYSA-N 2 1 298.474 3.616 20 0 CHADMP CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCc1cncn1C ZINC000297748384 1127706509 /nfs/dbraw/zinc/70/65/09/1127706509.db2.gz KYRMWDQESNHPNR-OALUTQOASA-N 2 1 297.446 3.621 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)CCOC2CCCCCC2)CC1 ZINC000605439079 1127735903 /nfs/dbraw/zinc/73/59/03/1127735903.db2.gz KJTYMVHFCXGMSN-UHFFFAOYSA-N 2 1 296.499 3.530 20 0 CHADMP C[C@@H](c1ccccc1F)[N@@H+](C)CCCCCCC[NH3+] ZINC000062019069 1127730915 /nfs/dbraw/zinc/73/09/15/1127730915.db2.gz QHBREQSQGWICEP-AWEZNQCLSA-N 2 1 266.404 3.728 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000412013195 1127888031 /nfs/dbraw/zinc/88/80/31/1127888031.db2.gz NQGICWDGPCPITH-MOPGFXCFSA-N 2 1 297.446 3.850 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000412013195 1127888035 /nfs/dbraw/zinc/88/80/35/1127888035.db2.gz NQGICWDGPCPITH-MOPGFXCFSA-N 2 1 297.446 3.850 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC000378961843 1127900725 /nfs/dbraw/zinc/90/07/25/1127900725.db2.gz RBCJNKZPWHHSBH-ZGXWSNOMSA-N 2 1 298.474 3.677 20 0 CHADMP C[C@H]([NH2+][C@@H](c1ccccc1)C(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000400429690 1127928699 /nfs/dbraw/zinc/92/86/99/1127928699.db2.gz ZSKXXPUGSFPLRQ-IMJJTQAJSA-N 2 1 260.425 3.504 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C)c2C)C[C@@H]1C ZINC000539817309 1127941636 /nfs/dbraw/zinc/94/16/36/1127941636.db2.gz GZHCXFIHKBICBV-YJBOKZPZSA-N 2 1 274.452 3.608 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C)c2C)C[C@@H]1C ZINC000539817309 1127941639 /nfs/dbraw/zinc/94/16/39/1127941639.db2.gz GZHCXFIHKBICBV-YJBOKZPZSA-N 2 1 274.452 3.608 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C)c2C)C[C@@H]1C ZINC000539817309 1127941641 /nfs/dbraw/zinc/94/16/41/1127941641.db2.gz GZHCXFIHKBICBV-YJBOKZPZSA-N 2 1 274.452 3.608 20 0 CHADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000540052442 1127959530 /nfs/dbraw/zinc/95/95/30/1127959530.db2.gz DKVGALRZCHSZPU-NTDBWNAOSA-N 2 1 290.495 3.761 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C2CCCC2)[C@H](C)C1 ZINC000540143953 1127962448 /nfs/dbraw/zinc/96/24/48/1127962448.db2.gz KCGIASRHIILFEU-ZBFHGGJFSA-N 2 1 266.473 3.523 20 0 CHADMP Cc1ccc2[nH]c(C[N@H+](C)CCC[NH+]3CCCC3)cc2c1C ZINC000467511200 1127972102 /nfs/dbraw/zinc/97/21/02/1127972102.db2.gz BNTMYFNZVOOREJ-UHFFFAOYSA-N 2 1 299.462 3.702 20 0 CHADMP Cc1ccc2[nH]c(C[N@@H+](C)CCC[NH+]3CCCC3)cc2c1C ZINC000467511200 1127972104 /nfs/dbraw/zinc/97/21/04/1127972104.db2.gz BNTMYFNZVOOREJ-UHFFFAOYSA-N 2 1 299.462 3.702 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000540607374 1127986187 /nfs/dbraw/zinc/98/61/87/1127986187.db2.gz SSKIJOABZTWGLA-QGZVFWFLSA-N 2 1 290.838 3.569 20 0 CHADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000300414524 1128000812 /nfs/dbraw/zinc/00/08/12/1128000812.db2.gz LRXHZLUPVROPOL-KGLIPLIRSA-N 2 1 282.859 3.591 20 0 CHADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000300414524 1128000815 /nfs/dbraw/zinc/00/08/15/1128000815.db2.gz LRXHZLUPVROPOL-KGLIPLIRSA-N 2 1 282.859 3.591 20 0 CHADMP CCC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CCCCC1 ZINC000545161390 1128002605 /nfs/dbraw/zinc/00/26/05/1128002605.db2.gz UFEANKWQEGVBOQ-OWCLPIDISA-N 2 1 266.473 3.665 20 0 CHADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000541537549 1128025458 /nfs/dbraw/zinc/02/54/58/1128025458.db2.gz UDSVZOWDAMTBHK-YWTNHNAXSA-N 2 1 290.495 3.761 20 0 CHADMP C[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000541537549 1128025460 /nfs/dbraw/zinc/02/54/60/1128025460.db2.gz UDSVZOWDAMTBHK-YWTNHNAXSA-N 2 1 290.495 3.761 20 0 CHADMP C[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000541537549 1128025464 /nfs/dbraw/zinc/02/54/64/1128025464.db2.gz UDSVZOWDAMTBHK-YWTNHNAXSA-N 2 1 290.495 3.761 20 0 CHADMP Cc1ccc(-c2cccc(C[N@@H+]3CC[C@H]([C@@H](C)[NH3+])C3)c2)cc1 ZINC000469848143 1128055771 /nfs/dbraw/zinc/05/57/71/1128055771.db2.gz GJYRPRPNTUYXEG-UZLBHIALSA-N 2 1 294.442 3.831 20 0 CHADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000470019483 1128062666 /nfs/dbraw/zinc/06/26/66/1128062666.db2.gz FLWYGZGDXQTRKL-OAHLLOKOSA-N 2 1 298.405 3.534 20 0 CHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000470019483 1128062669 /nfs/dbraw/zinc/06/26/69/1128062669.db2.gz FLWYGZGDXQTRKL-OAHLLOKOSA-N 2 1 298.405 3.534 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@H](C)c2cccc(Cl)c2)C1 ZINC000470198547 1128065917 /nfs/dbraw/zinc/06/59/17/1128065917.db2.gz SQHPSNJUUCTQJS-LSDHHAIUSA-N 2 1 294.870 3.765 20 0 CHADMP C[N@H+]1CCCC12CC[NH+]([C@H]1CCCc3ccccc31)CC2 ZINC000542266290 1128061103 /nfs/dbraw/zinc/06/11/03/1128061103.db2.gz ULKJEROGEPQGMJ-SFHVURJKSA-N 2 1 284.447 3.624 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H]2C2CCCCC2)CC1 ZINC001257221757 1128074467 /nfs/dbraw/zinc/07/44/67/1128074467.db2.gz GNNTVDDIQUCNKP-SFHVURJKSA-N 2 1 278.484 3.904 20 0 CHADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@H]2C2CCCCC2)CC1 ZINC001257221757 1128074472 /nfs/dbraw/zinc/07/44/72/1128074472.db2.gz GNNTVDDIQUCNKP-SFHVURJKSA-N 2 1 278.484 3.904 20 0 CHADMP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470959821 1128083783 /nfs/dbraw/zinc/08/37/83/1128083783.db2.gz PMCPFIQGCMVPJH-ZBFHGGJFSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470959821 1128083787 /nfs/dbraw/zinc/08/37/87/1128083787.db2.gz PMCPFIQGCMVPJH-ZBFHGGJFSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@H](c1cccc(F)c1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470959821 1128083791 /nfs/dbraw/zinc/08/37/91/1128083791.db2.gz PMCPFIQGCMVPJH-ZBFHGGJFSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@H](c1cccc(F)c1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470959821 1128083795 /nfs/dbraw/zinc/08/37/95/1128083795.db2.gz PMCPFIQGCMVPJH-ZBFHGGJFSA-N 2 1 290.426 3.550 20 0 CHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+]([C@@H]2CCCc3ccccc32)C1 ZINC000470976117 1128084267 /nfs/dbraw/zinc/08/42/67/1128084267.db2.gz KGMIQHSVJMXIDI-FXAWDEMLSA-N 2 1 298.474 3.728 20 0 CHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000470976117 1128084270 /nfs/dbraw/zinc/08/42/70/1128084270.db2.gz KGMIQHSVJMXIDI-FXAWDEMLSA-N 2 1 298.474 3.728 20 0 CHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000470976117 1128084275 /nfs/dbraw/zinc/08/42/75/1128084275.db2.gz KGMIQHSVJMXIDI-FXAWDEMLSA-N 2 1 298.474 3.728 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000173325191 1128087241 /nfs/dbraw/zinc/08/72/41/1128087241.db2.gz QJNPWOFFDXKXDS-SJORKVTESA-N 2 1 274.452 3.849 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000557262203 1128097363 /nfs/dbraw/zinc/09/73/63/1128097363.db2.gz JTKHDKSJRWKLMX-OIISXLGYSA-N 2 1 277.456 3.632 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1coc2ccccc12 ZINC000924715842 1128111011 /nfs/dbraw/zinc/11/10/11/1128111011.db2.gz QAPXCFWODBUICX-CYBMUJFWSA-N 2 1 283.375 3.679 20 0 CHADMP C[C@H]([NH2+][C@H]1C=CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309868867 1128125423 /nfs/dbraw/zinc/12/54/23/1128125423.db2.gz QINYNHJLPMTPIV-UHOSZYNNSA-N 2 1 284.447 3.595 20 0 CHADMP CCC(CC)(C[NH2+][C@H]1CC[NH2+]C12CCCC2)C(F)(F)F ZINC000925732895 1128138950 /nfs/dbraw/zinc/13/89/50/1128138950.db2.gz GTLHXIZSQUQQEG-LBPRGKRZSA-N 2 1 292.389 3.619 20 0 CHADMP CC1(C)C[C@]1(C)C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000925735433 1128139096 /nfs/dbraw/zinc/13/90/96/1128139096.db2.gz ZUBOGHQJVYGYQH-JFIYKMOQSA-N 2 1 272.436 3.506 20 0 CHADMP C/C(=C\c1ccccc1)C[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000494234850 1128166966 /nfs/dbraw/zinc/16/69/66/1128166966.db2.gz RUVPSSHURWRAJK-QRURKXGXSA-N 2 1 272.436 3.506 20 0 CHADMP C/C(=C\c1ccccc1)C[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000494234850 1128166968 /nfs/dbraw/zinc/16/69/68/1128166968.db2.gz RUVPSSHURWRAJK-QRURKXGXSA-N 2 1 272.436 3.506 20 0 CHADMP C/C(=C\c1ccccc1)C[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000494234850 1128166969 /nfs/dbraw/zinc/16/69/69/1128166969.db2.gz RUVPSSHURWRAJK-QRURKXGXSA-N 2 1 272.436 3.506 20 0 CHADMP C/C(=C\c1ccccc1)C[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000494234850 1128166971 /nfs/dbraw/zinc/16/69/71/1128166971.db2.gz RUVPSSHURWRAJK-QRURKXGXSA-N 2 1 272.436 3.506 20 0 CHADMP C[C@@H](C[NH2+][C@@H](C)c1csc(C(F)(F)F)c1)C[NH+](C)C ZINC000926476258 1128174192 /nfs/dbraw/zinc/17/41/92/1128174192.db2.gz ZFDRLWQBJMIAMT-UWVGGRQHSA-N 2 1 294.386 3.615 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CCC(C)CC2)C[C@@H]1C ZINC000542507365 1128199067 /nfs/dbraw/zinc/19/90/67/1128199067.db2.gz VTJSOCSLBOWROM-ODZFXCKXSA-N 2 1 266.473 3.617 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CCC(C)CC2)C[C@@H]1C ZINC000542507365 1128199069 /nfs/dbraw/zinc/19/90/69/1128199069.db2.gz VTJSOCSLBOWROM-ODZFXCKXSA-N 2 1 266.473 3.617 20 0 CHADMP C[N@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000660074412 1128199862 /nfs/dbraw/zinc/19/98/62/1128199862.db2.gz PRZQEQMMENEJIR-REPLKXPHSA-N 2 1 298.474 3.629 20 0 CHADMP C[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000660074412 1128199866 /nfs/dbraw/zinc/19/98/66/1128199866.db2.gz PRZQEQMMENEJIR-REPLKXPHSA-N 2 1 298.474 3.629 20 0 CHADMP CC1CCC(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000542508577 1128200868 /nfs/dbraw/zinc/20/08/68/1128200868.db2.gz HYVQYOXUHVCIGX-WXVPWVKJSA-N 2 1 290.495 3.761 20 0 CHADMP CC1CCC(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000542508577 1128200871 /nfs/dbraw/zinc/20/08/71/1128200871.db2.gz HYVQYOXUHVCIGX-WXVPWVKJSA-N 2 1 290.495 3.761 20 0 CHADMP CC1CCC(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000542508577 1128200874 /nfs/dbraw/zinc/20/08/74/1128200874.db2.gz HYVQYOXUHVCIGX-WXVPWVKJSA-N 2 1 290.495 3.761 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCCC(F)(F)C2)[C@H](C)C1 ZINC000495001053 1128222043 /nfs/dbraw/zinc/22/20/43/1128222043.db2.gz VYQZAOMFHFQJEQ-ILXRZTDVSA-N 2 1 288.426 3.522 20 0 CHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2C[C@@H](C)[C@H]2C)CC1 ZINC000495074385 1128228311 /nfs/dbraw/zinc/22/83/11/1128228311.db2.gz MFZRRLWDTAZMAH-JEWRLFTDSA-N 2 1 286.463 3.846 20 0 CHADMP C[C@H](C[NH2+][C@H]1CCSc2ccc(Cl)cc21)C[NH+](C)C ZINC000336817056 1129228561 /nfs/dbraw/zinc/22/85/61/1129228561.db2.gz OKXMHQLOWLOKGF-RISCZKNCSA-N 2 1 298.883 3.664 20 0 CHADMP CCC[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000561612779 1128341032 /nfs/dbraw/zinc/34/10/32/1128341032.db2.gz QNCPCJPSLXSWOE-HKUYNNGSSA-N 2 1 288.479 3.890 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H](C)C(C)(C)C)C1 ZINC000670268131 1128378808 /nfs/dbraw/zinc/37/88/08/1128378808.db2.gz JVPBACHXUOBNJK-JKSUJKDBSA-N 2 1 268.489 3.626 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000562417906 1128401469 /nfs/dbraw/zinc/40/14/69/1128401469.db2.gz SXALCOLOPQEAPK-HZPDHXFCSA-N 2 1 266.473 3.619 20 0 CHADMP c1ccc2cc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)ccc2c1 ZINC000036996424 1128404823 /nfs/dbraw/zinc/40/48/23/1128404823.db2.gz LOUNHFOHRSKILE-RBUKOAKNSA-N 2 1 280.415 3.556 20 0 CHADMP c1ccc2cc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)ccc2c1 ZINC000036996424 1128404825 /nfs/dbraw/zinc/40/48/25/1128404825.db2.gz LOUNHFOHRSKILE-RBUKOAKNSA-N 2 1 280.415 3.556 20 0 CHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc3ccccc32)CCN1C ZINC000123412822 1128420085 /nfs/dbraw/zinc/42/00/85/1128420085.db2.gz RLLIQNJUMYSWCI-YJBOKZPZSA-N 2 1 282.431 3.754 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc3ccccc32)CC[N@@H+]1C ZINC000123412822 1128420087 /nfs/dbraw/zinc/42/00/87/1128420087.db2.gz RLLIQNJUMYSWCI-YJBOKZPZSA-N 2 1 282.431 3.754 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc3ccccc32)CC[N@H+]1C ZINC000123412822 1128420088 /nfs/dbraw/zinc/42/00/88/1128420088.db2.gz RLLIQNJUMYSWCI-YJBOKZPZSA-N 2 1 282.431 3.754 20 0 CHADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc3ccccc32)CC[NH+]1C ZINC000123412822 1128420090 /nfs/dbraw/zinc/42/00/90/1128420090.db2.gz RLLIQNJUMYSWCI-YJBOKZPZSA-N 2 1 282.431 3.754 20 0 CHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc3ccccc32)CC[NH+]1C ZINC000123412822 1128420091 /nfs/dbraw/zinc/42/00/91/1128420091.db2.gz RLLIQNJUMYSWCI-YJBOKZPZSA-N 2 1 282.431 3.754 20 0 CHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cccc(Cl)c3)C2)CC1 ZINC000798957295 1128420861 /nfs/dbraw/zinc/42/08/61/1128420861.db2.gz RFGDSYVKKXSQST-UHFFFAOYSA-N 2 1 292.854 3.648 20 0 CHADMP CC1=CCC[C@@H](C)[C@@H]1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798957014 1128421348 /nfs/dbraw/zinc/42/13/48/1128421348.db2.gz IMPDUKWKURTQHO-QZTJIDSGSA-N 2 1 290.495 3.787 20 0 CHADMP CCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000562834878 1128422635 /nfs/dbraw/zinc/42/26/35/1128422635.db2.gz MWEZZLUBJWURRI-IAGOWNOFSA-N 2 1 274.452 3.848 20 0 CHADMP CCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000562834878 1128422637 /nfs/dbraw/zinc/42/26/37/1128422637.db2.gz MWEZZLUBJWURRI-IAGOWNOFSA-N 2 1 274.452 3.848 20 0 CHADMP CC[NH+]1CCC([N@H+](C)C/C(C)=C/c2ccccc2)CC1 ZINC000125249511 1128448222 /nfs/dbraw/zinc/44/82/22/1128448222.db2.gz DUGAAOBHFPQDAJ-JQIJEIRASA-N 2 1 272.436 3.506 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)C/C(C)=C/c2ccccc2)CC1 ZINC000125249511 1128448224 /nfs/dbraw/zinc/44/82/24/1128448224.db2.gz DUGAAOBHFPQDAJ-JQIJEIRASA-N 2 1 272.436 3.506 20 0 CHADMP CC(C)C[C@@H](C[N@@H+](C)C1CC[NH2+]CC1)c1ccccc1 ZINC000563131708 1128451664 /nfs/dbraw/zinc/45/16/64/1128451664.db2.gz GVUGELMSSJBHRI-KRWDZBQOSA-N 2 1 274.452 3.500 20 0 CHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000125871509 1128455350 /nfs/dbraw/zinc/45/53/50/1128455350.db2.gz SZNYMYKVSHYMCD-UONOGXRCSA-N 2 1 296.405 3.736 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000125871509 1128455352 /nfs/dbraw/zinc/45/53/52/1128455352.db2.gz SZNYMYKVSHYMCD-UONOGXRCSA-N 2 1 296.405 3.736 20 0 CHADMP CC(C)(C)c1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000126443386 1128463898 /nfs/dbraw/zinc/46/38/98/1128463898.db2.gz SKJHGCHAWFMOOX-CYBMUJFWSA-N 2 1 292.492 3.620 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc2ccccc2s1 ZINC000126524594 1128464999 /nfs/dbraw/zinc/46/49/99/1128464999.db2.gz JBYFRTREYTVIAU-UONOGXRCSA-N 2 1 288.460 3.894 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc2ccccc2s1 ZINC000126524594 1128465001 /nfs/dbraw/zinc/46/50/01/1128465001.db2.gz JBYFRTREYTVIAU-UONOGXRCSA-N 2 1 288.460 3.894 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(C)(C)C ZINC000126870364 1128470122 /nfs/dbraw/zinc/47/01/22/1128470122.db2.gz JQCVZUHWSUSPBH-CABCVRRESA-N 2 1 294.508 3.984 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C(C)(C)C ZINC000126870364 1128470124 /nfs/dbraw/zinc/47/01/24/1128470124.db2.gz JQCVZUHWSUSPBH-CABCVRRESA-N 2 1 294.508 3.984 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2CC(C)(C)CC(C)(C)C2)CC[N@@H+]1C ZINC000127858205 1128483230 /nfs/dbraw/zinc/48/32/30/1128483230.db2.gz ZDOGIEIBMDWUOF-KGLIPLIRSA-N 2 1 266.473 3.664 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2CC(C)(C)CC(C)(C)C2)CC[N@H+]1C ZINC000127858205 1128483231 /nfs/dbraw/zinc/48/32/31/1128483231.db2.gz ZDOGIEIBMDWUOF-KGLIPLIRSA-N 2 1 266.473 3.664 20 0 CHADMP CCC1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000564231695 1128499730 /nfs/dbraw/zinc/49/97/30/1128499730.db2.gz FTYBOFILGDTZSU-YQBZFSLMSA-N 2 1 286.463 3.818 20 0 CHADMP CCC1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000564231695 1128499731 /nfs/dbraw/zinc/49/97/31/1128499731.db2.gz FTYBOFILGDTZSU-YQBZFSLMSA-N 2 1 286.463 3.818 20 0 CHADMP CC(C)c1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000565391853 1128525208 /nfs/dbraw/zinc/52/52/08/1128525208.db2.gz ZVVBQPVCCXCLAJ-QAPCUYQASA-N 2 1 274.452 3.582 20 0 CHADMP CC(C)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000565391853 1128525211 /nfs/dbraw/zinc/52/52/11/1128525211.db2.gz ZVVBQPVCCXCLAJ-QAPCUYQASA-N 2 1 274.452 3.582 20 0 CHADMP CC(C)c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000565391853 1128525214 /nfs/dbraw/zinc/52/52/14/1128525214.db2.gz ZVVBQPVCCXCLAJ-QAPCUYQASA-N 2 1 274.452 3.582 20 0 CHADMP CC(C)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000565391853 1128525219 /nfs/dbraw/zinc/52/52/19/1128525219.db2.gz ZVVBQPVCCXCLAJ-QAPCUYQASA-N 2 1 274.452 3.582 20 0 CHADMP CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000129081892 1128530458 /nfs/dbraw/zinc/53/04/58/1128530458.db2.gz OMUKCAVDZGRLQK-DOTOQJQBSA-N 2 1 277.456 3.872 20 0 CHADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000129081892 1128530460 /nfs/dbraw/zinc/53/04/60/1128530460.db2.gz OMUKCAVDZGRLQK-DOTOQJQBSA-N 2 1 277.456 3.872 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000154774011 1128561679 /nfs/dbraw/zinc/56/16/79/1128561679.db2.gz XBHADJUHLPEPIY-ZDUSSCGKSA-N 2 1 280.843 3.675 20 0 CHADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000556179088 1128560349 /nfs/dbraw/zinc/56/03/49/1128560349.db2.gz NYWRGOIPZZYMRT-OQIJWPOYSA-N 2 1 286.463 3.848 20 0 CHADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000556179088 1128560351 /nfs/dbraw/zinc/56/03/51/1128560351.db2.gz NYWRGOIPZZYMRT-OQIJWPOYSA-N 2 1 286.463 3.848 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC=CCC2)C[C@H]1c1ccccc1 ZINC000556064023 1128543847 /nfs/dbraw/zinc/54/38/47/1128543847.db2.gz UBNFYNBWHWDXHF-WDSOQIARSA-N 2 1 284.447 3.768 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC=CCC2)C[C@H]1c1ccccc1 ZINC000556064023 1128543849 /nfs/dbraw/zinc/54/38/49/1128543849.db2.gz UBNFYNBWHWDXHF-WDSOQIARSA-N 2 1 284.447 3.768 20 0 CHADMP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000566729356 1128550759 /nfs/dbraw/zinc/55/07/59/1128550759.db2.gz JFEQGEXBOAFDAT-ILXRZTDVSA-N 2 1 265.445 3.632 20 0 CHADMP CC1(C)C[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851349 1128573188 /nfs/dbraw/zinc/57/31/88/1128573188.db2.gz BERLAOQIZHYIMH-MSOLQXFVSA-N 2 1 298.474 3.819 20 0 CHADMP CC1(C)C[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851349 1128573190 /nfs/dbraw/zinc/57/31/90/1128573190.db2.gz BERLAOQIZHYIMH-MSOLQXFVSA-N 2 1 298.474 3.819 20 0 CHADMP CCC[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000567875215 1128573634 /nfs/dbraw/zinc/57/36/34/1128573634.db2.gz WYFYDWQDNRHSNL-XMTFNYHQSA-N 2 1 272.436 3.600 20 0 CHADMP CCC[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000567875215 1128573637 /nfs/dbraw/zinc/57/36/37/1128573637.db2.gz WYFYDWQDNRHSNL-XMTFNYHQSA-N 2 1 272.436 3.600 20 0 CHADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCCc1cccc2ccccc21 ZINC000568162216 1128578471 /nfs/dbraw/zinc/57/84/71/1128578471.db2.gz RCNPFUPCXVOFCL-YJBOKZPZSA-N 2 1 282.431 3.584 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCC2CCCC2)C1 ZINC000568564740 1128587558 /nfs/dbraw/zinc/58/75/58/1128587558.db2.gz ARDCUSGGMWZIKA-WBVHZDCISA-N 2 1 266.473 3.665 20 0 CHADMP CC[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC1(C)CC1 ZINC000568824766 1128592565 /nfs/dbraw/zinc/59/25/65/1128592565.db2.gz VBGJCUBTDBTKON-GOSISDBHSA-N 2 1 286.463 3.631 20 0 CHADMP C[N@H+]1CCCC[C@@H]1CCN1CCC=C(c2ccccc2)C1 ZINC000556506953 1128598113 /nfs/dbraw/zinc/59/81/13/1128598113.db2.gz YLIXCEPOYIVGTL-LJQANCHMSA-N 2 1 284.447 3.650 20 0 CHADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC=C(c2ccccc2)C1 ZINC000556506953 1128598115 /nfs/dbraw/zinc/59/81/15/1128598115.db2.gz YLIXCEPOYIVGTL-LJQANCHMSA-N 2 1 284.447 3.650 20 0 CHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC=C(c2ccccc2)C1 ZINC000556506953 1128598117 /nfs/dbraw/zinc/59/81/17/1128598117.db2.gz YLIXCEPOYIVGTL-LJQANCHMSA-N 2 1 284.447 3.650 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)CCCc2cccc(Cl)c2)CC1 ZINC001236212595 1128615926 /nfs/dbraw/zinc/61/59/26/1128615926.db2.gz IPIKDSOBEQLNRP-UHFFFAOYSA-N 2 1 294.870 3.735 20 0 CHADMP CC(C)Oc1ccc([C@H](C)[NH2+]CCC[NH+](C)C)cc1Cl ZINC000556593017 1128608055 /nfs/dbraw/zinc/60/80/55/1128608055.db2.gz VIVRCRJKLPGOHW-ZDUSSCGKSA-N 2 1 298.858 3.730 20 0 CHADMP CC(C)[NH+](CCC[NH2+][C@H](C)c1ccnc(Cl)c1)C(C)C ZINC000155831322 1128616405 /nfs/dbraw/zinc/61/64/05/1128616405.db2.gz MEURRXPKWCZVBQ-CQSZACIVSA-N 2 1 297.874 3.895 20 0 CHADMP c1cc(-c2ccccc2)sc1C[NH2+]CCC[NH+]1CCC1 ZINC000570582191 1128626712 /nfs/dbraw/zinc/62/67/12/1128626712.db2.gz YYTGQNUYZMUBPC-UHFFFAOYSA-N 2 1 286.444 3.601 20 0 CHADMP CC1=CC[C@H]([NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000556833706 1128628419 /nfs/dbraw/zinc/62/84/19/1128628419.db2.gz JRNOJEPRZFYQFA-IKGGRYGDSA-N 2 1 276.468 3.728 20 0 CHADMP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719912 1128629902 /nfs/dbraw/zinc/62/99/02/1128629902.db2.gz WGJRVLXGYHRUPJ-HZPDHXFCSA-N 2 1 290.426 3.695 20 0 CHADMP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719912 1128629906 /nfs/dbraw/zinc/62/99/06/1128629906.db2.gz WGJRVLXGYHRUPJ-HZPDHXFCSA-N 2 1 290.426 3.695 20 0 CHADMP CC[C@@H](C[N@@H+](CC)CC1CC[NH2+]CC1)c1ccccc1 ZINC000570682432 1128629907 /nfs/dbraw/zinc/62/99/07/1128629907.db2.gz FCIJKLDXIYLHCD-KRWDZBQOSA-N 2 1 274.452 3.502 20 0 CHADMP CC(C)Cc1cccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)c1 ZINC000556893389 1128637042 /nfs/dbraw/zinc/63/70/42/1128637042.db2.gz YPDASSAHSCESDO-HNNXBMFYSA-N 2 1 285.435 3.512 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCC(C)C)C2)s1 ZINC000572079769 1128641246 /nfs/dbraw/zinc/64/12/46/1128641246.db2.gz QCAYPUFYVPSQED-INIZCTEOSA-N 2 1 294.508 3.856 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCC(C)C)C2)s1 ZINC000572079769 1128641249 /nfs/dbraw/zinc/64/12/49/1128641249.db2.gz QCAYPUFYVPSQED-INIZCTEOSA-N 2 1 294.508 3.856 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000073656709 1128646842 /nfs/dbraw/zinc/64/68/42/1128646842.db2.gz IXDNIBGGPCJLNV-YLJYHZDGSA-N 2 1 294.442 3.829 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000073656709 1128646844 /nfs/dbraw/zinc/64/68/44/1128646844.db2.gz IXDNIBGGPCJLNV-YLJYHZDGSA-N 2 1 294.442 3.829 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000073656716 1128646779 /nfs/dbraw/zinc/64/67/79/1128646779.db2.gz IXDNIBGGPCJLNV-PXNSSMCTSA-N 2 1 294.442 3.829 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000073656716 1128646782 /nfs/dbraw/zinc/64/67/82/1128646782.db2.gz IXDNIBGGPCJLNV-PXNSSMCTSA-N 2 1 294.442 3.829 20 0 CHADMP Cc1ccccc1-c1cccc(C[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000573119620 1128651449 /nfs/dbraw/zinc/65/14/49/1128651449.db2.gz FUTJXFPMFMAAJI-GOSISDBHSA-N 2 1 294.442 3.833 20 0 CHADMP CCc1ccc(C[N@H+](CC)CCC[NH+]2CCCC2)s1 ZINC000573433847 1128654291 /nfs/dbraw/zinc/65/42/91/1128654291.db2.gz DYIMFOGAVIZHAP-UHFFFAOYSA-N 2 1 280.481 3.618 20 0 CHADMP CCc1ccc(C[N@@H+](CC)CCC[NH+]2CCCC2)s1 ZINC000573433847 1128654293 /nfs/dbraw/zinc/65/42/93/1128654293.db2.gz DYIMFOGAVIZHAP-UHFFFAOYSA-N 2 1 280.481 3.618 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)c3ccccc32)C1 ZINC000574114192 1128661626 /nfs/dbraw/zinc/66/16/26/1128661626.db2.gz CGNWEACSLFOWJP-IIDMSEBBSA-N 2 1 272.436 3.556 20 0 CHADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccccc1Oc1ccccc1 ZINC000574924318 1128664652 /nfs/dbraw/zinc/66/46/52/1128664652.db2.gz CKGURYRNMXEWDU-RDJZCZTQSA-N 2 1 296.414 3.791 20 0 CHADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccccc1Oc1ccccc1 ZINC000574924318 1128664655 /nfs/dbraw/zinc/66/46/55/1128664655.db2.gz CKGURYRNMXEWDU-RDJZCZTQSA-N 2 1 296.414 3.791 20 0 CHADMP Cc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000578370006 1128715965 /nfs/dbraw/zinc/71/59/65/1128715965.db2.gz MCWZKBPRVXWOSU-IEBWSBKVSA-N 2 1 288.479 3.636 20 0 CHADMP Cc1ccnc([C@@H](C)NCCC[N@@H+](C)C2CCCCC2)c1 ZINC000578853774 1128731285 /nfs/dbraw/zinc/73/12/85/1128731285.db2.gz KMYAWJWOJCNIMP-MRXNPFEDSA-N 2 1 289.467 3.695 20 0 CHADMP CC(C)[C@H]1CC[C@@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000578918579 1128732675 /nfs/dbraw/zinc/73/26/75/1128732675.db2.gz JQXSPCQNFSUIEN-MSOLQXFVSA-N 2 1 274.452 3.533 20 0 CHADMP Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CCCc2cncn2C)C1 ZINC000579729061 1117767197 /nfs/dbraw/zinc/76/71/97/1117767197.db2.gz QRFVJSNKDMWSEL-IRXDYDNUSA-N 2 1 297.446 3.539 20 0 CHADMP Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000579729061 1117767206 /nfs/dbraw/zinc/76/72/06/1117767206.db2.gz QRFVJSNKDMWSEL-IRXDYDNUSA-N 2 1 297.446 3.539 20 0 CHADMP Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000579729061 1117767211 /nfs/dbraw/zinc/76/72/11/1117767211.db2.gz QRFVJSNKDMWSEL-IRXDYDNUSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](CC(C)C)c2ccccc2)CC1 ZINC000035012706 1117790097 /nfs/dbraw/zinc/79/00/97/1117790097.db2.gz YCQONWICMBGRSR-GOSISDBHSA-N 2 1 274.452 3.848 20 0 CHADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@H]2C2CCCCC2)CC1 ZINC001208109108 1117795501 /nfs/dbraw/zinc/79/55/01/1117795501.db2.gz LTOKWJVQSJFPRJ-KRWDZBQOSA-N 2 1 278.484 3.763 20 0 CHADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623343535 1117835981 /nfs/dbraw/zinc/83/59/81/1117835981.db2.gz YXDNNTHIPYEFSD-SJORKVTESA-N 2 1 292.442 3.985 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+][C@@H](c2ccccc2)C2CC2)CC1(C)C ZINC000623344915 1117836814 /nfs/dbraw/zinc/83/68/14/1117836814.db2.gz IFWAWAZDODBSLU-SJORKVTESA-N 2 1 272.436 3.600 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+][C@H](c2cccs2)C2CC2)CC1(C)C ZINC000623345208 1117837845 /nfs/dbraw/zinc/83/78/45/1117837845.db2.gz WFGYCVLEQSXIGU-HIFRSBDPSA-N 2 1 278.465 3.662 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+][C@H](c2cccs2)C2CC2)CC1(C)C ZINC000623345208 1117837847 /nfs/dbraw/zinc/83/78/47/1117837847.db2.gz WFGYCVLEQSXIGU-HIFRSBDPSA-N 2 1 278.465 3.662 20 0 CHADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623351097 1117839372 /nfs/dbraw/zinc/83/93/72/1117839372.db2.gz AYCYTOKTRNZBPB-MSOLQXFVSA-N 2 1 288.479 3.889 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000623357826 1117840479 /nfs/dbraw/zinc/84/04/79/1117840479.db2.gz BNGCMLCMDKJPKI-MRXNPFEDSA-N 2 1 299.462 3.770 20 0 CHADMP Cc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c(C)c1 ZINC000623410870 1117851151 /nfs/dbraw/zinc/85/11/51/1117851151.db2.gz JEABBYOWLSUQHN-SJLPKXTDSA-N 2 1 288.479 3.697 20 0 CHADMP CSc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623513082 1117864276 /nfs/dbraw/zinc/86/42/76/1117864276.db2.gz HLYZJPMBKVKHNP-ZFWWWQNUSA-N 2 1 292.492 3.932 20 0 CHADMP CCCCc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)s1 ZINC001206772193 1117872345 /nfs/dbraw/zinc/87/23/45/1117872345.db2.gz ZAOVVUXBIUSOFV-ZIAGYGMSSA-N 2 1 280.481 3.650 20 0 CHADMP C[C@@H](CCc1ccccc1)C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623657466 1117883837 /nfs/dbraw/zinc/88/38/37/1117883837.db2.gz RFWLRXFRSMGWEM-PKOBYXMFSA-N 2 1 288.479 3.577 20 0 CHADMP CC(C)[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000623656801 1117884884 /nfs/dbraw/zinc/88/48/84/1117884884.db2.gz CELMSXRUZBHTOX-HKUYNNGSSA-N 2 1 288.479 3.748 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000178183310 1117889395 /nfs/dbraw/zinc/88/93/95/1117889395.db2.gz RTEKNFDHTWXUKY-CRAIPNDOSA-N 2 1 285.435 3.815 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](C1CC1)C1CCC(C)CC1 ZINC001167072084 1117889766 /nfs/dbraw/zinc/88/97/66/1117889766.db2.gz PEEWCZJBYXKTPN-UHFFFAOYSA-N 2 1 266.473 3.761 20 0 CHADMP CC[N@H+](CCC[NH2+][C@@H](C)c1cccnc1)C1CCCCC1 ZINC000650131608 1117896623 /nfs/dbraw/zinc/89/66/23/1117896623.db2.gz UXOLEYCRKOJEJQ-INIZCTEOSA-N 2 1 289.467 3.777 20 0 CHADMP CC[N@@H+](CCC[NH2+][C@@H](C)c1cccnc1)C1CCCCC1 ZINC000650131608 1117896628 /nfs/dbraw/zinc/89/66/28/1117896628.db2.gz UXOLEYCRKOJEJQ-INIZCTEOSA-N 2 1 289.467 3.777 20 0 CHADMP CCC[C@@H](C)C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236371818 1128742595 /nfs/dbraw/zinc/74/25/95/1128742595.db2.gz NPKFKXQDZOCDHD-HZPDHXFCSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@H](CC[N@H+]1CCC2(C1)CC[NH+](C)CC2)CC(C)(C)C ZINC001208663611 1117902164 /nfs/dbraw/zinc/90/21/64/1117902164.db2.gz JCZUWCBSEUTZLH-MRXNPFEDSA-N 2 1 280.500 3.867 20 0 CHADMP CSc1ccc(CNC[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000623727272 1117903043 /nfs/dbraw/zinc/90/30/43/1117903043.db2.gz SIHRXOCCHDRBLT-INIZCTEOSA-N 2 1 290.476 3.515 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(C)ccc1C ZINC000623861301 1117945354 /nfs/dbraw/zinc/94/53/54/1117945354.db2.gz URVRMGLAJIMFSI-APWZRJJASA-N 2 1 286.463 3.828 20 0 CHADMP Cc1csc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)n1 ZINC000623864238 1117945936 /nfs/dbraw/zinc/94/59/36/1117945936.db2.gz JQYIOOAFDUFJAK-ZFWWWQNUSA-N 2 1 295.496 3.614 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3[C@@H]4CCC[C@@H]43)CC23CC3)cc1 ZINC000579377287 1128746915 /nfs/dbraw/zinc/74/69/15/1128746915.db2.gz LUVKLDSVUHQZPV-OKYOBFRVSA-N 2 1 296.458 3.572 20 0 CHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3[C@@H]4CCC[C@@H]43)CC23CC3)cc1 ZINC000579377287 1128746916 /nfs/dbraw/zinc/74/69/16/1128746916.db2.gz LUVKLDSVUHQZPV-OKYOBFRVSA-N 2 1 296.458 3.572 20 0 CHADMP Cc1cc(C)c(C[NH+]2CCC([NH2+]C(C)C)CC2)cc1C ZINC000179831547 1117982223 /nfs/dbraw/zinc/98/22/23/1117982223.db2.gz WXOXBSWIWZQNGR-UHFFFAOYSA-N 2 1 274.452 3.574 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000624119844 1117984033 /nfs/dbraw/zinc/98/40/33/1117984033.db2.gz KVUBKYNHKHFSEE-KBPBESRZSA-N 2 1 280.843 3.723 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(C)s1 ZINC000624119888 1117984073 /nfs/dbraw/zinc/98/40/73/1117984073.db2.gz LTVISMFLZXQBLL-DZGCQCFKSA-N 2 1 280.481 3.747 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)c(F)c1 ZINC000624122462 1117984473 /nfs/dbraw/zinc/98/44/73/1117984473.db2.gz RTCBCGDBDHGUEE-OLZOCXBDSA-N 2 1 298.833 3.862 20 0 CHADMP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000624120945 1117984590 /nfs/dbraw/zinc/98/45/90/1117984590.db2.gz KOOBHLYFMIJLOT-IAGOWNOFSA-N 2 1 274.452 3.686 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000624123078 1117985730 /nfs/dbraw/zinc/98/57/30/1117985730.db2.gz FNNGLJWSOUWZCO-XUWVNRHRSA-N 2 1 292.492 3.562 20 0 CHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000624121733 1117986112 /nfs/dbraw/zinc/98/61/12/1117986112.db2.gz CCCZGZBHLWIZEQ-KDOFPFPSSA-N 2 1 290.426 3.598 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000380634503 1118002532 /nfs/dbraw/zinc/00/25/32/1118002532.db2.gz JBQICRLVNHJGFC-IRXDYDNUSA-N 2 1 278.484 3.809 20 0 CHADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(C)cc1 ZINC000181711748 1118004438 /nfs/dbraw/zinc/00/44/38/1118004438.db2.gz FQVKEFSNIPWRGK-SJORKVTESA-N 2 1 260.425 3.520 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCc2ccccc2Cl)C1 ZINC000181954297 1118009956 /nfs/dbraw/zinc/00/99/56/1118009956.db2.gz SAQUJZLALXIFLC-HNNXBMFYSA-N 2 1 294.870 3.546 20 0 CHADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCCc2ccccc2Cl)C1 ZINC000181954297 1118009946 /nfs/dbraw/zinc/00/99/46/1118009946.db2.gz SAQUJZLALXIFLC-HNNXBMFYSA-N 2 1 294.870 3.546 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCc2ccccc2Cl)C1 ZINC000181954297 1118009952 /nfs/dbraw/zinc/00/99/52/1118009952.db2.gz SAQUJZLALXIFLC-HNNXBMFYSA-N 2 1 294.870 3.546 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCc2ccccc2Cl)C1 ZINC000181954297 1118009962 /nfs/dbraw/zinc/00/99/62/1118009962.db2.gz SAQUJZLALXIFLC-HNNXBMFYSA-N 2 1 294.870 3.546 20 0 CHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CCCC2)C1 ZINC000237672294 1128750566 /nfs/dbraw/zinc/75/05/66/1128750566.db2.gz LFUDMWAXRLQIFU-INIZCTEOSA-N 2 1 286.463 3.951 20 0 CHADMP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)C1(C)CC1 ZINC000361735385 1118031690 /nfs/dbraw/zinc/03/16/90/1118031690.db2.gz IVTAHDWYWNWZIX-JKSUJKDBSA-N 2 1 274.452 3.675 20 0 CHADMP C(C[N@H+]1CC[C@@H](C2CCCCC2)C1)C[NH+]1CCCCC1 ZINC001209451394 1118063300 /nfs/dbraw/zinc/06/33/00/1118063300.db2.gz XLQTWOHMYVDVMM-GOSISDBHSA-N 2 1 278.484 3.765 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccoc1 ZINC000370662122 1118063565 /nfs/dbraw/zinc/06/35/65/1118063565.db2.gz IYMUFVISIMOLLW-BXWFABGCSA-N 2 1 298.430 3.841 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccoc1 ZINC000370662122 1118063570 /nfs/dbraw/zinc/06/35/70/1118063570.db2.gz IYMUFVISIMOLLW-BXWFABGCSA-N 2 1 298.430 3.841 20 0 CHADMP C[C@H]([NH2+]CCC1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185725392 1118063750 /nfs/dbraw/zinc/06/37/50/1118063750.db2.gz UISUSVYPZZDNMI-DOTOQJQBSA-N 2 1 278.484 3.809 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(C3CC3)c2)C1 ZINC000340188102 1118106392 /nfs/dbraw/zinc/10/63/92/1118106392.db2.gz DWYGJEZGKGYETG-LSDHHAIUSA-N 2 1 272.436 3.556 20 0 CHADMP CC(C)[C@H](C[NH2+][C@H](C)CSC(C)(C)C)[NH+]1CCCC1 ZINC000764839271 1118120775 /nfs/dbraw/zinc/12/07/75/1118120775.db2.gz AOWXKDSGKNGLJM-CABCVRRESA-N 2 1 286.529 3.617 20 0 CHADMP CC/C=C/CC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001167256532 1118123435 /nfs/dbraw/zinc/12/34/35/1118123435.db2.gz ZCPIQLZDNSXEIE-WRFKIARRSA-N 2 1 278.484 3.787 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@H]2C(C)(C)C)CC[N@H+]1C ZINC000765386600 1118148404 /nfs/dbraw/zinc/14/84/04/1118148404.db2.gz UDHFANXWLWEGRS-QBPKDAKJSA-N 2 1 280.500 3.911 20 0 CHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2nccc3ccccc32)CC1 ZINC000765406254 1118149279 /nfs/dbraw/zinc/14/92/79/1118149279.db2.gz STYOAKBBBHVVLL-UHFFFAOYSA-N 2 1 297.446 3.587 20 0 CHADMP CSc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000282191840 1118280937 /nfs/dbraw/zinc/28/09/37/1118280937.db2.gz GGCHSUJQMWGLSX-HZSPNIEDSA-N 2 1 278.465 3.542 20 0 CHADMP CSc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000282191845 1118281066 /nfs/dbraw/zinc/28/10/66/1118281066.db2.gz GGCHSUJQMWGLSX-MELADBBJSA-N 2 1 278.465 3.542 20 0 CHADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC[N@@H+]1C ZINC000624329090 1118284080 /nfs/dbraw/zinc/28/40/80/1118284080.db2.gz LIZKAWCPXGJDBL-YLQAJVPDSA-N 2 1 292.854 3.790 20 0 CHADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC[N@H+]1C ZINC000624329090 1118284083 /nfs/dbraw/zinc/28/40/83/1118284083.db2.gz LIZKAWCPXGJDBL-YLQAJVPDSA-N 2 1 292.854 3.790 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3CC[NH2+][C@@H](C)CC3)cc2)cc1 ZINC001210495731 1118298892 /nfs/dbraw/zinc/29/88/92/1118298892.db2.gz BECVCJRCCPVIQQ-KRWDZBQOSA-N 2 1 294.442 3.846 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CC[NH2+][C@@H](C)CC3)cc2)cc1 ZINC001210495731 1118298893 /nfs/dbraw/zinc/29/88/93/1118298893.db2.gz BECVCJRCCPVIQQ-KRWDZBQOSA-N 2 1 294.442 3.846 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)CCc1ccsc1 ZINC000580017027 1118303376 /nfs/dbraw/zinc/30/33/76/1118303376.db2.gz LMOJSKURQPODFS-CABCVRRESA-N 2 1 282.497 3.779 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)CCc1ccsc1 ZINC000580017027 1118303381 /nfs/dbraw/zinc/30/33/81/1118303381.db2.gz LMOJSKURQPODFS-CABCVRRESA-N 2 1 282.497 3.779 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001649095585 1118347362 /nfs/dbraw/zinc/34/73/62/1118347362.db2.gz FXFUZDYDKHUMGL-NXHRZFHOSA-N 2 1 278.484 3.809 20 0 CHADMP Cc1cc[nH+]c(C)c1NC1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001210705793 1118366124 /nfs/dbraw/zinc/36/61/24/1118366124.db2.gz QRZYLWGDIOJZCV-MRXNPFEDSA-N 2 1 271.408 3.643 20 0 CHADMP CC[NH+](CC)CCC[N@H+](C)Cc1cccc(Cl)c1 ZINC000340593632 1118373968 /nfs/dbraw/zinc/37/39/68/1118373968.db2.gz CSQIHOYZXOVVJQ-UHFFFAOYSA-N 2 1 268.832 3.504 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](C)Cc1cccc(Cl)c1 ZINC000340593632 1118373973 /nfs/dbraw/zinc/37/39/73/1118373973.db2.gz CSQIHOYZXOVVJQ-UHFFFAOYSA-N 2 1 268.832 3.504 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC2(C)CC2)CC1 ZINC000683831821 1118399730 /nfs/dbraw/zinc/39/97/30/1118399730.db2.gz FSXPLVSNPTWPCI-INIZCTEOSA-N 2 1 278.484 3.763 20 0 CHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccnc(Cl)c2)C1 ZINC000765785539 1118405740 /nfs/dbraw/zinc/40/57/40/1118405740.db2.gz XIOFKGROGYHFLF-KGLIPLIRSA-N 2 1 295.858 3.506 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccnc(Cl)c2)C1 ZINC000765785539 1118405744 /nfs/dbraw/zinc/40/57/44/1118405744.db2.gz XIOFKGROGYHFLF-KGLIPLIRSA-N 2 1 295.858 3.506 20 0 CHADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@H]1CCCCC1(C)C ZINC001659041973 1118475702 /nfs/dbraw/zinc/47/57/02/1118475702.db2.gz ADFWWMOIDFFIMP-OAHLLOKOSA-N 2 1 266.473 3.667 20 0 CHADMP c1c2ccccc2[nH]c1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000684021904 1118489642 /nfs/dbraw/zinc/48/96/42/1118489642.db2.gz XWNJPDPJEZVYPD-GOSISDBHSA-N 2 1 297.446 3.618 20 0 CHADMP c1c2ccccc2[nH]c1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000684021904 1118489643 /nfs/dbraw/zinc/48/96/43/1118489643.db2.gz XWNJPDPJEZVYPD-GOSISDBHSA-N 2 1 297.446 3.618 20 0 CHADMP CC(C)[NH+](CC[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1)C(C)C ZINC000084981251 1118504654 /nfs/dbraw/zinc/50/46/54/1118504654.db2.gz OXSJWDPFFSPECS-PMPSAXMXSA-N 2 1 254.462 3.520 20 0 CHADMP Cc1ccccc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000580841141 1118513440 /nfs/dbraw/zinc/51/34/40/1118513440.db2.gz IGZNFPCKQNYEMK-LPHOPBHVSA-N 2 1 294.442 3.974 20 0 CHADMP CCCC[N@@H+](CCc1cncn1C)[C@H](C)c1ccc(C)o1 ZINC000656424597 1118548422 /nfs/dbraw/zinc/54/84/22/1118548422.db2.gz HUBCNMJPXIECTR-OAHLLOKOSA-N 2 1 289.423 3.727 20 0 CHADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCCc1cccc2ccccc21 ZINC000430584235 1118575765 /nfs/dbraw/zinc/57/57/65/1118575765.db2.gz UPHBSVHBUKDVTI-LJQANCHMSA-N 2 1 284.447 3.735 20 0 CHADMP CCc1ccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)cc1 ZINC000109916740 1118586968 /nfs/dbraw/zinc/58/69/68/1118586968.db2.gz VICYWOIYCLAURJ-UHFFFAOYSA-N 2 1 288.479 3.993 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000723617955 1118670453 /nfs/dbraw/zinc/67/04/53/1118670453.db2.gz BEFQVRDZVZAYJI-IXDOHACOSA-N 2 1 275.440 3.530 20 0 CHADMP CC(C)[C@H]1C[C@@H](C[NH2+]C2CC[NH+](C)CC2)c2ccccc21 ZINC000341386111 1118682570 /nfs/dbraw/zinc/68/25/70/1118682570.db2.gz YJCXZGFMUBQMOZ-HNAYVOBHSA-N 2 1 286.463 3.597 20 0 CHADMP CC(C)[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1Cl ZINC000471760793 1118719696 /nfs/dbraw/zinc/71/96/96/1118719696.db2.gz RBYLPXFRNYDAAP-MRXNPFEDSA-N 2 1 291.826 3.603 20 0 CHADMP C[C@H]1C[C@@H](Nc2cc[nH+]c3cc(Cl)ccc23)CC[N@@H+]1C ZINC000090795111 1118764984 /nfs/dbraw/zinc/76/49/84/1118764984.db2.gz LZTUEMMSYUYEJR-AAEUAGOBSA-N 2 1 289.810 3.783 20 0 CHADMP C[C@H]1C[C@@H](Nc2cc[nH+]c3cc(Cl)ccc23)CC[N@H+]1C ZINC000090795111 1118764988 /nfs/dbraw/zinc/76/49/88/1118764988.db2.gz LZTUEMMSYUYEJR-AAEUAGOBSA-N 2 1 289.810 3.783 20 0 CHADMP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000430749213 1118766452 /nfs/dbraw/zinc/76/64/52/1118766452.db2.gz INBHRYFWIRPGGD-OUUBHVDSSA-N 2 1 298.474 3.675 20 0 CHADMP C[N@@H+](CCC[NH2+][C@@H]1CC[C@H]1C1CCC1)Cc1ccccc1 ZINC000510665819 1118784764 /nfs/dbraw/zinc/78/47/64/1118784764.db2.gz CXIZCBQQXXQXMV-RBUKOAKNSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000510675959 1118786075 /nfs/dbraw/zinc/78/60/75/1118786075.db2.gz RIQMOOUYJYUFHF-BPQIPLTHSA-N 2 1 278.484 3.667 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000510676211 1118786502 /nfs/dbraw/zinc/78/65/02/1118786502.db2.gz UAWSNKHMUBZTOK-KBAYOESNSA-N 2 1 278.484 3.809 20 0 CHADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000562956414 1118794939 /nfs/dbraw/zinc/79/49/39/1118794939.db2.gz SJQDCGOQQSAELB-GFCCVEGCSA-N 2 1 283.485 3.614 20 0 CHADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCC2(CCCC2)CC1 ZINC000129369504 1118806563 /nfs/dbraw/zinc/80/65/63/1118806563.db2.gz MYELEOHKROICBB-HNNXBMFYSA-N 2 1 266.473 3.809 20 0 CHADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CC[C@@H]1C1CCC1)C2 ZINC000510736964 1118806615 /nfs/dbraw/zinc/80/66/15/1118806615.db2.gz QOSAPOVLURUGBB-WOJBJXKFSA-N 2 1 298.474 3.603 20 0 CHADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CC[C@@H]1C1CCC1)C2 ZINC000510736964 1118806619 /nfs/dbraw/zinc/80/66/19/1118806619.db2.gz QOSAPOVLURUGBB-WOJBJXKFSA-N 2 1 298.474 3.603 20 0 CHADMP C1CC([C@@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C2CCCC2)C1 ZINC000647235529 1118957364 /nfs/dbraw/zinc/95/73/64/1118957364.db2.gz KXQOAPUVGQRXSG-SQNIBIBYSA-N 2 1 276.468 3.562 20 0 CHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@@H]1C=CCCCCC1 ZINC001167509075 1118969691 /nfs/dbraw/zinc/96/96/91/1118969691.db2.gz KQHACZFUQXLOOM-SJORKVTESA-N 2 1 264.457 3.682 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1C=CCCCCC1 ZINC001167509075 1118969694 /nfs/dbraw/zinc/96/96/94/1118969694.db2.gz KQHACZFUQXLOOM-SJORKVTESA-N 2 1 264.457 3.682 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@@H]1C=CCCCCC1 ZINC001167509075 1118969696 /nfs/dbraw/zinc/96/96/96/1118969696.db2.gz KQHACZFUQXLOOM-SJORKVTESA-N 2 1 264.457 3.682 20 0 CHADMP CC[C@@H]1CCC[C@@H]([NH2+]CCCn2cc[nH+]c2C)CC1 ZINC000657317592 1118997129 /nfs/dbraw/zinc/99/71/29/1118997129.db2.gz CRAQBBQJZMNKRM-HZPDHXFCSA-N 2 1 263.429 3.530 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@H]1c1ccccc1 ZINC000582095530 1119006477 /nfs/dbraw/zinc/00/64/77/1119006477.db2.gz VXRHOMMCVIDJMN-MSOLQXFVSA-N 2 1 272.436 3.698 20 0 CHADMP C[C@@H](F)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000375667759 1119012432 /nfs/dbraw/zinc/01/24/32/1119012432.db2.gz YSHDHTIGMKPDHS-WBVHZDCISA-N 2 1 292.442 3.625 20 0 CHADMP C[C@@H](F)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000375667759 1119012435 /nfs/dbraw/zinc/01/24/35/1119012435.db2.gz YSHDHTIGMKPDHS-WBVHZDCISA-N 2 1 292.442 3.625 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001207282298 1119036072 /nfs/dbraw/zinc/03/60/72/1119036072.db2.gz GWDIZXDNRJJVJP-OAHLLOKOSA-N 2 1 294.870 3.717 20 0 CHADMP C[C@H]1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207284736 1119044616 /nfs/dbraw/zinc/04/46/16/1119044616.db2.gz QIBGPNKKMNIOAT-KRWDZBQOSA-N 2 1 286.463 3.631 20 0 CHADMP Cc1nccn1CC[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000342574000 1119089157 /nfs/dbraw/zinc/08/91/57/1119089157.db2.gz HGSPJFSVNPRTGE-QGZVFWFLSA-N 2 1 275.440 3.626 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000342574000 1119089161 /nfs/dbraw/zinc/08/91/61/1119089161.db2.gz HGSPJFSVNPRTGE-QGZVFWFLSA-N 2 1 275.440 3.626 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000342574000 1119089163 /nfs/dbraw/zinc/08/91/63/1119089163.db2.gz HGSPJFSVNPRTGE-QGZVFWFLSA-N 2 1 275.440 3.626 20 0 CHADMP CCCC[C@@H](CCC)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC000225935117 1119109951 /nfs/dbraw/zinc/10/99/51/1119109951.db2.gz CXKVCTZJVSHVHL-OAHLLOKOSA-N 2 1 263.429 3.882 20 0 CHADMP CCC[NH+](CCC)CCC[NH2+][C@H]1CCCc2cccnc21 ZINC000684956001 1119141961 /nfs/dbraw/zinc/14/19/61/1119141961.db2.gz WTKNZTCVCDQNTH-KRWDZBQOSA-N 2 1 289.467 3.561 20 0 CHADMP CCC[NH+](CCC)CCC[NH2+][C@@H]1CCCc2cccnc21 ZINC000684956002 1119142277 /nfs/dbraw/zinc/14/22/77/1119142277.db2.gz WTKNZTCVCDQNTH-QGZVFWFLSA-N 2 1 289.467 3.561 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000342863778 1119215903 /nfs/dbraw/zinc/21/59/03/1119215903.db2.gz JODVRGGEWIXIFA-LJQANCHMSA-N 2 1 295.430 3.734 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000342863778 1119215906 /nfs/dbraw/zinc/21/59/06/1119215906.db2.gz JODVRGGEWIXIFA-LJQANCHMSA-N 2 1 295.430 3.734 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)F)CC[N@@H+]1Cc1ccccc1 ZINC000657644713 1119219924 /nfs/dbraw/zinc/21/99/24/1119219924.db2.gz BBPSXJLZVPNQMC-RDJZCZTQSA-N 2 1 292.442 3.767 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)F)CC[N@H+]1Cc1ccccc1 ZINC000657644713 1119219928 /nfs/dbraw/zinc/21/99/28/1119219928.db2.gz BBPSXJLZVPNQMC-RDJZCZTQSA-N 2 1 292.442 3.767 20 0 CHADMP CC(C)(C)c1cc[nH+]c(N2C(C)(C)CC([NH3+])CC2(C)C)c1 ZINC001167626880 1119237459 /nfs/dbraw/zinc/23/74/59/1119237459.db2.gz WQYVADASJQKNGM-UHFFFAOYSA-N 2 1 289.467 3.864 20 0 CHADMP Cc1c(Cl)cccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001204607943 1119365942 /nfs/dbraw/zinc/36/59/42/1119365942.db2.gz ATSKEXNHFFSSQE-IUODEOHRSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1c(Cl)cccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001204607943 1119365946 /nfs/dbraw/zinc/36/59/46/1119365946.db2.gz ATSKEXNHFFSSQE-IUODEOHRSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1c(Cl)cccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC001204607943 1119365949 /nfs/dbraw/zinc/36/59/49/1119365949.db2.gz ATSKEXNHFFSSQE-IUODEOHRSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1c(Cl)cccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC001204607943 1119365953 /nfs/dbraw/zinc/36/59/53/1119365953.db2.gz ATSKEXNHFFSSQE-IUODEOHRSA-N 2 1 280.843 3.563 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CC1 ZINC000657773358 1119383472 /nfs/dbraw/zinc/38/34/72/1119383472.db2.gz QSYFFCBJONRBEQ-VQIMIIECSA-N 2 1 298.474 3.677 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC1CCC(C)(C)CC1 ZINC000343325948 1119385459 /nfs/dbraw/zinc/38/54/59/1119385459.db2.gz OCHJFBVUUKFXKN-UHFFFAOYSA-N 2 1 277.456 3.730 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC1CCC(C)(C)CC1 ZINC000343325948 1119385460 /nfs/dbraw/zinc/38/54/60/1119385460.db2.gz OCHJFBVUUKFXKN-UHFFFAOYSA-N 2 1 277.456 3.730 20 0 CHADMP C[C@H](NCC[N@@H+]1CC[C@@H](C)C1)c1cccc(C2CC2)c1 ZINC000583645426 1119390213 /nfs/dbraw/zinc/39/02/13/1119390213.db2.gz WJJPJZNTHDHTNJ-CABCVRRESA-N 2 1 272.436 3.556 20 0 CHADMP C[C@H](NCC[N@H+]1CC[C@@H](C)C1)c1cccc(C2CC2)c1 ZINC000583645426 1119390215 /nfs/dbraw/zinc/39/02/15/1119390215.db2.gz WJJPJZNTHDHTNJ-CABCVRRESA-N 2 1 272.436 3.556 20 0 CHADMP C[N@@H+](CCC[NH2+][C@H]1CC2CCC1CC2)Cc1ccccc1 ZINC000382293228 1119400556 /nfs/dbraw/zinc/40/05/56/1119400556.db2.gz QGONBFAUBDMFCE-KVZIAJEVSA-N 2 1 286.463 3.677 20 0 CHADMP CC1(C)CCC[NH+]1CCCCC[N@@H+]1CCCC1(C)C ZINC000583723480 1119401248 /nfs/dbraw/zinc/40/12/48/1119401248.db2.gz UBUZFTXGEKOZPN-UHFFFAOYSA-N 2 1 266.473 3.906 20 0 CHADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000583733526 1119404731 /nfs/dbraw/zinc/40/47/31/1119404731.db2.gz QDJBQMQRUOLVLU-IKGGRYGDSA-N 2 1 266.473 3.523 20 0 CHADMP Cc1cccc2c1CCC[C@@H]2[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000657797288 1119419572 /nfs/dbraw/zinc/41/95/72/1119419572.db2.gz KMNJAYUOKTULPX-SFHVURJKSA-N 2 1 295.430 3.623 20 0 CHADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)C(C)(C)C(F)F ZINC000657829768 1119478278 /nfs/dbraw/zinc/47/82/78/1119478278.db2.gz HZIANESCIFCFPF-CYBMUJFWSA-N 2 1 290.442 3.910 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C(C)(C)C(F)F ZINC000657838466 1119496280 /nfs/dbraw/zinc/49/62/80/1119496280.db2.gz UHWBVNCLMCNVKZ-ZIAGYGMSSA-N 2 1 290.442 3.910 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000708527391 1119520506 /nfs/dbraw/zinc/52/05/06/1119520506.db2.gz COPBKJFCQFWGTE-XLSIIYIISA-N 2 1 298.474 3.533 20 0 CHADMP C[C@H](CC1CCC1)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000128639472 1119580840 /nfs/dbraw/zinc/58/08/40/1119580840.db2.gz JQGACRMPVYVAJU-MRXNPFEDSA-N 2 1 274.452 3.677 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cc2ccccc2[nH]1 ZINC000926575135 1119581866 /nfs/dbraw/zinc/58/18/66/1119581866.db2.gz XTVICLKHQAUBJQ-GJZGRUSLSA-N 2 1 285.435 3.550 20 0 CHADMP C[NH+]1CCC([C@H]2CC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC000685463103 1119610727 /nfs/dbraw/zinc/61/07/27/1119610727.db2.gz DMLWBHOKUCMULH-SFHVURJKSA-N 2 1 278.484 3.621 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C2CCC(F)(F)CC2)C1 ZINC000685455737 1119611109 /nfs/dbraw/zinc/61/11/09/1119611109.db2.gz ZMDNNSCJPUKUDJ-KBPBESRZSA-N 2 1 288.426 3.520 20 0 CHADMP Cc1cc(Cl)ccc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000685470668 1119612123 /nfs/dbraw/zinc/61/21/23/1119612123.db2.gz FUWHRUYYXLZPAO-WBVHZDCISA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000685470668 1119612124 /nfs/dbraw/zinc/61/21/24/1119612124.db2.gz FUWHRUYYXLZPAO-WBVHZDCISA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000685470668 1119612126 /nfs/dbraw/zinc/61/21/26/1119612126.db2.gz FUWHRUYYXLZPAO-WBVHZDCISA-N 2 1 292.854 3.565 20 0 CHADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000223071654 1119655005 /nfs/dbraw/zinc/65/50/05/1119655005.db2.gz QLYDNDKIAQUFRD-UONOGXRCSA-N 2 1 282.859 3.591 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCCSCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000657969781 1119655370 /nfs/dbraw/zinc/65/53/70/1119655370.db2.gz UQICCUYOYRVNKG-ARFHVFGLSA-N 2 1 296.524 3.515 20 0 CHADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1F ZINC000658166352 1119695540 /nfs/dbraw/zinc/69/55/40/1119695540.db2.gz KCQOEVWRICMRST-VBQJREDUSA-N 2 1 278.415 3.595 20 0 CHADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1F ZINC000658166352 1119695541 /nfs/dbraw/zinc/69/55/41/1119695541.db2.gz KCQOEVWRICMRST-VBQJREDUSA-N 2 1 278.415 3.595 20 0 CHADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000300316684 1119696543 /nfs/dbraw/zinc/69/65/43/1119696543.db2.gz VCHCKMSSNSFOMP-BRWVUGGUSA-N 2 1 266.473 3.521 20 0 CHADMP Cc1cccc(NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000309932084 1119697428 /nfs/dbraw/zinc/69/74/28/1119697428.db2.gz ZNGVYWBUMUHDCI-LJQANCHMSA-N 2 1 295.430 3.714 20 0 CHADMP Cc1cccc(NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000309932084 1119697432 /nfs/dbraw/zinc/69/74/32/1119697432.db2.gz ZNGVYWBUMUHDCI-LJQANCHMSA-N 2 1 295.430 3.714 20 0 CHADMP Cc1cccc(NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000309932084 1119697436 /nfs/dbraw/zinc/69/74/36/1119697436.db2.gz ZNGVYWBUMUHDCI-LJQANCHMSA-N 2 1 295.430 3.714 20 0 CHADMP C[C@@H]([NH2+]CCC(C)(C)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658191119 1119698259 /nfs/dbraw/zinc/69/82/59/1119698259.db2.gz KNWGDPXXHJBAKK-NVXWUHKLSA-N 2 1 292.442 3.625 20 0 CHADMP C[C@@H](Cc1cccs1)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658229262 1119706785 /nfs/dbraw/zinc/70/67/85/1119706785.db2.gz PYPGSUHNPDOHOH-GJZGRUSLSA-N 2 1 292.492 3.676 20 0 CHADMP C[C@@H](Cc1cccs1)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658229262 1119706787 /nfs/dbraw/zinc/70/67/87/1119706787.db2.gz PYPGSUHNPDOHOH-GJZGRUSLSA-N 2 1 292.492 3.676 20 0 CHADMP C[C@H]([NH2+][C@@]1(C)CC1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658306686 1119717053 /nfs/dbraw/zinc/71/70/53/1119717053.db2.gz YVWAAVMQQUIYSS-IEZWGBDMSA-N 2 1 286.463 3.675 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]C2CC(C)(C)C2)C[C@H]1c1ccccc1 ZINC000658347129 1119728712 /nfs/dbraw/zinc/72/87/12/1119728712.db2.gz ZOUDGZSDEAUCDC-RDJZCZTQSA-N 2 1 272.436 3.600 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C2CC(C)(C)C2)C[C@H]1c1ccccc1 ZINC000658347129 1119728716 /nfs/dbraw/zinc/72/87/16/1119728716.db2.gz ZOUDGZSDEAUCDC-RDJZCZTQSA-N 2 1 272.436 3.600 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]C2CC(C)(C)C2)C[C@@H]1c1ccccc1 ZINC000658347127 1119728805 /nfs/dbraw/zinc/72/88/05/1119728805.db2.gz ZOUDGZSDEAUCDC-NVXWUHKLSA-N 2 1 272.436 3.600 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]C2CC(C)(C)C2)C[C@@H]1c1ccccc1 ZINC000658347127 1119728807 /nfs/dbraw/zinc/72/88/07/1119728807.db2.gz ZOUDGZSDEAUCDC-NVXWUHKLSA-N 2 1 272.436 3.600 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(F)c1F ZINC000224996641 1119730563 /nfs/dbraw/zinc/73/05/63/1119730563.db2.gz JEVATXHHJNJPIE-RLAWYHOSSA-N 2 1 294.389 3.631 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1F ZINC000224996641 1119730566 /nfs/dbraw/zinc/73/05/66/1119730566.db2.gz JEVATXHHJNJPIE-RLAWYHOSSA-N 2 1 294.389 3.631 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccsc2)C[C@H]1c1ccccc1 ZINC000340180630 1119745786 /nfs/dbraw/zinc/74/57/86/1119745786.db2.gz JIRQWQDAUBSHLS-SJORKVTESA-N 2 1 286.444 3.673 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccsc2)C[C@H]1c1ccccc1 ZINC000340180630 1119745789 /nfs/dbraw/zinc/74/57/89/1119745789.db2.gz JIRQWQDAUBSHLS-SJORKVTESA-N 2 1 286.444 3.673 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCC[C@@H]2CCc2ccccc2)CC1 ZINC000545242235 1119772812 /nfs/dbraw/zinc/77/28/12/1119772812.db2.gz PORUOJNAXBITHZ-UXHICEINSA-N 2 1 298.474 3.639 20 0 CHADMP c1sc2ccccc2c1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482836 1119793287 /nfs/dbraw/zinc/79/32/87/1119793287.db2.gz BYOYJKZJYNJILT-UHFFFAOYSA-N 2 1 286.444 3.618 20 0 CHADMP Clc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1Cl ZINC000647482875 1119793384 /nfs/dbraw/zinc/79/33/84/1119793384.db2.gz FHRFJISFHHBKEU-UHFFFAOYSA-N 2 1 299.245 3.710 20 0 CHADMP Clc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1Cl ZINC000647482875 1119793387 /nfs/dbraw/zinc/79/33/87/1119793387.db2.gz FHRFJISFHHBKEU-UHFFFAOYSA-N 2 1 299.245 3.710 20 0 CHADMP C/C=C/C[C@@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000626164227 1119794982 /nfs/dbraw/zinc/79/49/82/1119794982.db2.gz ZDRIOEACSMRDBR-REMYHPOOSA-N 2 1 275.440 3.650 20 0 CHADMP C/C=C/C[C@@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000626164227 1119794983 /nfs/dbraw/zinc/79/49/83/1119794983.db2.gz ZDRIOEACSMRDBR-REMYHPOOSA-N 2 1 275.440 3.650 20 0 CHADMP CC[C@H]1CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000570072245 1119796364 /nfs/dbraw/zinc/79/63/64/1119796364.db2.gz UZZOVYRZVXPEJY-MAUKXSAKSA-N 2 1 274.452 3.805 20 0 CHADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC000376006399 1119806830 /nfs/dbraw/zinc/80/68/30/1119806830.db2.gz JCVPKKCBBHZRMY-SDNTUTLCSA-N 2 1 292.854 3.658 20 0 CHADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)CC[N@H+]1C ZINC000376006399 1119806832 /nfs/dbraw/zinc/80/68/32/1119806832.db2.gz JCVPKKCBBHZRMY-SDNTUTLCSA-N 2 1 292.854 3.658 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)CCc2ccc3ccccc3c2)CC[N@@H+]1C ZINC000531142952 1119887908 /nfs/dbraw/zinc/88/79/08/1119887908.db2.gz GTIPHWZAXVNAPE-OXQOHEQNSA-N 2 1 296.458 3.797 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)CCc2ccc3ccccc3c2)CC[N@H+]1C ZINC000531142952 1119887914 /nfs/dbraw/zinc/88/79/14/1119887914.db2.gz GTIPHWZAXVNAPE-OXQOHEQNSA-N 2 1 296.458 3.797 20 0 CHADMP C[C@@H]1C[C@H]([N@H+](C)CCc2ccc3ccccc3c2)CC[NH+]1C ZINC000531142952 1119887920 /nfs/dbraw/zinc/88/79/20/1119887920.db2.gz GTIPHWZAXVNAPE-OXQOHEQNSA-N 2 1 296.458 3.797 20 0 CHADMP C[C@@H]1C[C@H]([N@@H+](C)CCc2ccc3ccccc3c2)CC[NH+]1C ZINC000531142952 1119887926 /nfs/dbraw/zinc/88/79/26/1119887926.db2.gz GTIPHWZAXVNAPE-OXQOHEQNSA-N 2 1 296.458 3.797 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)s1 ZINC000414172584 1119926460 /nfs/dbraw/zinc/92/64/60/1119926460.db2.gz FMCVAOCRNVDJKY-RYUDHWBXSA-N 2 1 286.872 3.784 20 0 CHADMP CCC[C@H](C)[C@@H](CC)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414176440 1119928240 /nfs/dbraw/zinc/92/82/40/1119928240.db2.gz IZZWHQCSIHJLLF-ARFHVFGLSA-N 2 1 254.462 3.523 20 0 CHADMP c1ccc([C@@H]2C[C@@H]2C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000668819678 1119928950 /nfs/dbraw/zinc/92/89/50/1119928950.db2.gz PSHPKJLUBUDFAN-RLLQIKCJSA-N 2 1 298.474 3.502 20 0 CHADMP CSc1ccccc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414190093 1119932695 /nfs/dbraw/zinc/93/26/95/1119932695.db2.gz RGJDRXBREOAXFM-CABCVRRESA-N 2 1 292.492 3.791 20 0 CHADMP Clc1cscc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544372 1120003621 /nfs/dbraw/zinc/00/36/21/1120003621.db2.gz ZOOAHPGAYKYUHG-CHWSQXEVSA-N 2 1 298.883 3.613 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1CC2CCC1CC2 ZINC000381724925 1128885594 /nfs/dbraw/zinc/88/55/94/1128885594.db2.gz RZJDBNVAONZFNH-VXLLPVPCSA-N 2 1 266.473 3.521 20 0 CHADMP C[C@@H](CC[NH2+][C@@H](C)c1ccncc1)[N@H+](C)Cc1ccccc1 ZINC000177465753 1120037747 /nfs/dbraw/zinc/03/77/47/1120037747.db2.gz PKAYGRBADRXUCC-IRXDYDNUSA-N 2 1 297.446 3.643 20 0 CHADMP C[C@@H](CC[NH2+][C@@H](C)c1ccncc1)[N@@H+](C)Cc1ccccc1 ZINC000177465753 1120037752 /nfs/dbraw/zinc/03/77/52/1120037752.db2.gz PKAYGRBADRXUCC-IRXDYDNUSA-N 2 1 297.446 3.643 20 0 CHADMP C[C@H](C[NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000623657334 1120064940 /nfs/dbraw/zinc/06/49/40/1120064940.db2.gz NXGXUACVWBIDCO-HUUCEWRRSA-N 2 1 294.870 3.765 20 0 CHADMP CCSc1cccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000623657552 1120065900 /nfs/dbraw/zinc/06/59/00/1120065900.db2.gz UHCJPNQQDZGUAI-MRXNPFEDSA-N 2 1 292.492 3.620 20 0 CHADMP CCC[C@H](C)[C@H](CC)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120916 1120068582 /nfs/dbraw/zinc/06/85/82/1120068582.db2.gz KAAZRAFTEMAVBA-XHSDSOJGSA-N 2 1 254.462 3.523 20 0 CHADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000251698480 1128888024 /nfs/dbraw/zinc/88/80/24/1128888024.db2.gz IUKFUGFMWPVCHQ-BRWVUGGUSA-N 2 1 266.473 3.665 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@H+](C2CCC(C(C)(C)C)CC2)C1 ZINC000040591887 1120069620 /nfs/dbraw/zinc/06/96/20/1120069620.db2.gz CEZUEMZKRVJSFC-QQFBHYJXSA-N 2 1 266.473 3.523 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](CCC)Cc1ccccc1 ZINC000414814217 1120126849 /nfs/dbraw/zinc/12/68/49/1120126849.db2.gz NLVJPAOYYQPGMA-SJORKVTESA-N 2 1 262.441 3.505 20 0 CHADMP Cc1ccccc1[C@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000472769284 1120168500 /nfs/dbraw/zinc/16/85/00/1120168500.db2.gz YELRCFIVJZWCPQ-DLBZAZTESA-N 2 1 274.452 3.862 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1[C@@H]2CCCC[C@@H]2C1(C)C ZINC000122474497 1120173863 /nfs/dbraw/zinc/17/38/63/1120173863.db2.gz ADMRVBAWMSWKHS-IXDOHACOSA-N 2 1 289.467 3.776 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCCC1 ZINC000156175680 1120175641 /nfs/dbraw/zinc/17/56/41/1120175641.db2.gz OUMMPHCMRKBIQX-BHYGNILZSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)C1CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000379038443 1120183866 /nfs/dbraw/zinc/18/38/66/1120183866.db2.gz JHTRJZFYHZQSIJ-FRQCXROJSA-N 2 1 286.463 3.675 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc3ccccc3c2)[C@H](C)C1 ZINC000178025535 1120224375 /nfs/dbraw/zinc/22/43/75/1120224375.db2.gz JXVPBUMZWCKRET-OXQOHEQNSA-N 2 1 296.458 3.702 20 0 CHADMP CCCCCC(C)(C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000388662246 1120234760 /nfs/dbraw/zinc/23/47/60/1120234760.db2.gz BOSQBHWDUATTJL-UHFFFAOYSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000216004244 1120241268 /nfs/dbraw/zinc/24/12/68/1120241268.db2.gz KLWSNYSXZKFAJO-JKSUJKDBSA-N 2 1 260.425 3.602 20 0 CHADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309697075 1120345667 /nfs/dbraw/zinc/34/56/67/1120345667.db2.gz FFZUTTYIINLWSI-BHIYHBOVSA-N 2 1 286.463 3.677 20 0 CHADMP C(=C\c1ccccc1)\C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000255506181 1120374049 /nfs/dbraw/zinc/37/40/49/1120374049.db2.gz ZZWDXPMKZHDACZ-FUKWUPMWSA-N 2 1 284.447 3.650 20 0 CHADMP C(=C\c1ccccc1)\C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000255506181 1120374053 /nfs/dbraw/zinc/37/40/53/1120374053.db2.gz ZZWDXPMKZHDACZ-FUKWUPMWSA-N 2 1 284.447 3.650 20 0 CHADMP Cc1cccc([C@@H]2CCC[N@@H+]2CCC2CC[NH+](C)CC2)c1 ZINC001207479633 1120375722 /nfs/dbraw/zinc/37/57/22/1120375722.db2.gz LFLWKCRUZJVBBJ-IBGZPJMESA-N 2 1 286.463 3.864 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000629542956 1128914701 /nfs/dbraw/zinc/91/47/01/1128914701.db2.gz PZMYMPCVKJSADA-NJMOYASZSA-N 2 1 298.883 3.624 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417331950 1120428925 /nfs/dbraw/zinc/42/89/25/1120428925.db2.gz WRMYNXQRKAJJHA-SOUVJXGZSA-N 2 1 280.481 3.560 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+]CCCC2CCCCC2)C1 ZINC000584746201 1120430095 /nfs/dbraw/zinc/43/00/95/1120430095.db2.gz CPAKZDVSYYNHOF-QGZVFWFLSA-N 2 1 266.473 3.668 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2CC=CC2)cc1 ZINC000660202265 1120437430 /nfs/dbraw/zinc/43/74/30/1120437430.db2.gz BNHHRHYGXSHYAM-AWEZNQCLSA-N 2 1 281.403 3.798 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCN[C@H]1CCc2ccc(F)cc21 ZINC000479889478 1120489096 /nfs/dbraw/zinc/48/90/96/1120489096.db2.gz SFBNAWXRUQDQDU-KSSFIOAISA-N 2 1 290.426 3.667 20 0 CHADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000479889478 1120489099 /nfs/dbraw/zinc/48/90/99/1120489099.db2.gz SFBNAWXRUQDQDU-KSSFIOAISA-N 2 1 290.426 3.667 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000479889478 1120489101 /nfs/dbraw/zinc/48/91/01/1120489101.db2.gz SFBNAWXRUQDQDU-KSSFIOAISA-N 2 1 290.426 3.667 20 0 CHADMP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cc2ccccc2o1 ZINC000019905914 1120548179 /nfs/dbraw/zinc/54/81/79/1120548179.db2.gz BMIWUEMVHYHQOO-CYBMUJFWSA-N 2 1 274.408 3.671 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCc2ccccc21 ZINC000019913088 1120549136 /nfs/dbraw/zinc/54/91/36/1120549136.db2.gz AULFMTJKMCQIKL-CRAIPNDOSA-N 2 1 272.436 3.528 20 0 CHADMP Cc1csc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)n1 ZINC000623864490 1120552524 /nfs/dbraw/zinc/55/25/24/1120552524.db2.gz PZMVOFZZEMYPLM-LSDHHAIUSA-N 2 1 295.496 3.757 20 0 CHADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCC(OCC)CC1 ZINC000657872897 1120569459 /nfs/dbraw/zinc/56/94/59/1120569459.db2.gz QBJJWUMOYKYYBN-LXPRWKDFSA-N 2 1 296.499 3.578 20 0 CHADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCC(OCC)CC1 ZINC000657872897 1120569461 /nfs/dbraw/zinc/56/94/61/1120569461.db2.gz QBJJWUMOYKYYBN-LXPRWKDFSA-N 2 1 296.499 3.578 20 0 CHADMP Cc1cc(Oc2ccccc2)ccc1C[NH+]1CCC([NH3+])CC1 ZINC001204646007 1120604693 /nfs/dbraw/zinc/60/46/93/1120604693.db2.gz GJEBMDPUUFCPBT-UHFFFAOYSA-N 2 1 296.414 3.710 20 0 CHADMP CC(C)=CCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000660434129 1120605654 /nfs/dbraw/zinc/60/56/54/1120605654.db2.gz FAUFYTQYVXUBQL-UHFFFAOYSA-N 2 1 287.451 3.755 20 0 CHADMP CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000429017185 1120616960 /nfs/dbraw/zinc/61/69/60/1120616960.db2.gz DUAZEDRIBQACLK-APWZRJJASA-N 2 1 286.463 3.899 20 0 CHADMP CC(C)c1ccc([C@@H](C)[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000429017185 1120616963 /nfs/dbraw/zinc/61/69/63/1120616963.db2.gz DUAZEDRIBQACLK-APWZRJJASA-N 2 1 286.463 3.899 20 0 CHADMP CC(C)c1ccc([C@@H](C)[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000429017185 1120616965 /nfs/dbraw/zinc/61/69/65/1120616965.db2.gz DUAZEDRIBQACLK-APWZRJJASA-N 2 1 286.463 3.899 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c3ccccc23)CC[N@H+]1C ZINC000631079572 1120633262 /nfs/dbraw/zinc/63/32/62/1120633262.db2.gz IJFZTIUDRHUQQT-HIFRSBDPSA-N 2 1 286.394 3.551 20 0 CHADMP Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000300417371 1120653718 /nfs/dbraw/zinc/65/37/18/1120653718.db2.gz SFQDQDBXCPIYFP-DOTOQJQBSA-N 2 1 292.854 3.612 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000300417371 1120653722 /nfs/dbraw/zinc/65/37/22/1120653722.db2.gz SFQDQDBXCPIYFP-DOTOQJQBSA-N 2 1 292.854 3.612 20 0 CHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC[C@H]1CCc3ccccc31)C2 ZINC000660660267 1120674333 /nfs/dbraw/zinc/67/43/33/1120674333.db2.gz FLWNSAPRNDBHSI-UYAOXDASSA-N 2 1 298.474 3.524 20 0 CHADMP CC(C)[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccccc1F ZINC000661482984 1120770286 /nfs/dbraw/zinc/77/02/86/1120770286.db2.gz FKWBPCJVSBTCGP-PBHICJAKSA-N 2 1 278.415 3.597 20 0 CHADMP Cc1ccc2[nH]c(C[NH+](C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2c1C ZINC000473133237 1120794902 /nfs/dbraw/zinc/79/49/02/1120794902.db2.gz QSTOXGIBAWVCBJ-WMLDXEAASA-N 2 1 299.462 3.699 20 0 CHADMP Cc1ccc2[nH]c(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2c1C ZINC000473133237 1120794905 /nfs/dbraw/zinc/79/49/05/1120794905.db2.gz QSTOXGIBAWVCBJ-WMLDXEAASA-N 2 1 299.462 3.699 20 0 CHADMP Cc1ccc2[nH]c(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)cc2c1C ZINC000473133237 1120794907 /nfs/dbraw/zinc/79/49/07/1120794907.db2.gz QSTOXGIBAWVCBJ-WMLDXEAASA-N 2 1 299.462 3.699 20 0 CHADMP Cc1ccc2[nH]c(C[N@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)cc2c1C ZINC000473133237 1120794909 /nfs/dbraw/zinc/79/49/09/1120794909.db2.gz QSTOXGIBAWVCBJ-WMLDXEAASA-N 2 1 299.462 3.699 20 0 CHADMP C[C@H](C1CC1)[NH+](C)CCCCC[N@H+](C)[C@H](C)C1CC1 ZINC000247161460 1120876032 /nfs/dbraw/zinc/87/60/32/1120876032.db2.gz ZKXORQYHXMEQGT-HUUCEWRRSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251768735 1120884285 /nfs/dbraw/zinc/88/42/85/1120884285.db2.gz MGGDWPAKJIXVGU-QWQRMKEZSA-N 2 1 268.404 3.570 20 0 CHADMP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662249948 1120912034 /nfs/dbraw/zinc/91/20/34/1120912034.db2.gz VXQPWQUDXBMCPG-KBAYOESNSA-N 2 1 274.452 3.533 20 0 CHADMP C[N@@H+](Cc1cccc(C(C)(C)C)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662263493 1120913470 /nfs/dbraw/zinc/91/34/70/1120913470.db2.gz BVANMARNDKGBBQ-JWTNVVGKSA-N 2 1 286.463 3.699 20 0 CHADMP c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000662276438 1120917573 /nfs/dbraw/zinc/91/75/73/1120917573.db2.gz MPJJZPFDWLKHNW-GGPKGHCWSA-N 2 1 298.474 3.571 20 0 CHADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662278076 1120917593 /nfs/dbraw/zinc/91/75/93/1120917593.db2.gz VENRQVRERVLBFL-DJIMGWMZSA-N 2 1 274.452 3.533 20 0 CHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)s2)[C@@H]1CCC[NH3+] ZINC000662316757 1120924849 /nfs/dbraw/zinc/92/48/49/1120924849.db2.gz NBJZBUARGXFZFQ-DGCLKSJQSA-N 2 1 286.872 3.741 20 0 CHADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3C[C@@H]4CCCC[C@H]34)CC[NH2+]2)cc1 ZINC000925764894 1120930708 /nfs/dbraw/zinc/93/07/08/1120930708.db2.gz KMIMJIRBTVEGHB-XCDZQEORSA-N 2 1 284.447 3.648 20 0 CHADMP CC(C)Oc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000221921493 1120937654 /nfs/dbraw/zinc/93/76/54/1120937654.db2.gz BDIXIFKGADSHCT-MRXNPFEDSA-N 2 1 292.467 3.855 20 0 CHADMP CC(C)Oc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000221921493 1120937655 /nfs/dbraw/zinc/93/76/55/1120937655.db2.gz BDIXIFKGADSHCT-MRXNPFEDSA-N 2 1 292.467 3.855 20 0 CHADMP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663464144 1120980933 /nfs/dbraw/zinc/98/09/33/1120980933.db2.gz COWVDGNIRSDRPD-BRWVUGGUSA-N 2 1 278.484 3.523 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1ccccc1C ZINC001167823711 1120995525 /nfs/dbraw/zinc/99/55/25/1120995525.db2.gz DYAOUXGUCABJOS-QGZVFWFLSA-N 2 1 276.468 3.937 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1ccccc1F ZINC001167825863 1121000228 /nfs/dbraw/zinc/00/02/28/1121000228.db2.gz LFUKKQIVVXDMFL-HNNXBMFYSA-N 2 1 280.431 3.768 20 0 CHADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(SC2CCCC2)cc1 ZINC000643528312 1121007207 /nfs/dbraw/zinc/00/72/07/1121007207.db2.gz GUATWKJENWOZAH-STQMWFEESA-N 2 1 278.465 3.719 20 0 CHADMP C[C@H]([NH3+])C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000643529305 1121007817 /nfs/dbraw/zinc/00/78/17/1121007817.db2.gz YIMBEZMYEKWBLM-GUYCJALGSA-N 2 1 288.822 3.561 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000300402530 1121018983 /nfs/dbraw/zinc/01/89/83/1121018983.db2.gz ULSJPSOYJNHICZ-LSDHHAIUSA-N 2 1 254.462 3.521 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432409935 1121054531 /nfs/dbraw/zinc/05/45/31/1121054531.db2.gz KJHCWCYJKBQALH-BZSNNMDCSA-N 2 1 298.515 3.538 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432409935 1121054540 /nfs/dbraw/zinc/05/45/40/1121054540.db2.gz KJHCWCYJKBQALH-BZSNNMDCSA-N 2 1 298.515 3.538 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2c(F)cccc2C1 ZINC001167842471 1121064740 /nfs/dbraw/zinc/06/47/40/1121064740.db2.gz XWLZITYDZAUOQK-HNNXBMFYSA-N 2 1 292.442 3.694 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCC2(CCC2)C1 ZINC001167842480 1121065581 /nfs/dbraw/zinc/06/55/81/1121065581.db2.gz XWPXFNXEJDIADZ-MRXNPFEDSA-N 2 1 266.473 3.763 20 0 CHADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000344065547 1121072917 /nfs/dbraw/zinc/07/29/17/1121072917.db2.gz OSUAVIROJDQXFL-SFHVURJKSA-N 2 1 295.430 3.803 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccccc1CC ZINC000429226571 1121117090 /nfs/dbraw/zinc/11/70/90/1121117090.db2.gz LFEUCXRSWXRRHR-UHFFFAOYSA-N 2 1 299.462 3.920 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccccc1CC ZINC000429226571 1121117094 /nfs/dbraw/zinc/11/70/94/1121117094.db2.gz LFEUCXRSWXRRHR-UHFFFAOYSA-N 2 1 299.462 3.920 20 0 CHADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000436228214 1121215638 /nfs/dbraw/zinc/21/56/38/1121215638.db2.gz ATSDFOLZKUACEY-JQHSSLGASA-N 2 1 274.452 3.643 20 0 CHADMP c1coc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000112710476 1121263140 /nfs/dbraw/zinc/26/31/40/1121263140.db2.gz SSFQEVNMFAKEHF-UHFFFAOYSA-N 2 1 298.430 3.945 20 0 CHADMP CC(C)C[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512334059 1121272293 /nfs/dbraw/zinc/27/22/93/1121272293.db2.gz ZFEWIPSLUFAGKA-JYJNAYRXSA-N 2 1 266.473 3.664 20 0 CHADMP CC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658320533 1121298830 /nfs/dbraw/zinc/29/88/30/1121298830.db2.gz ZGDUFKTUGPVJBG-FUHWJXTLSA-N 2 1 286.463 3.677 20 0 CHADMP CC[C@@H]1CCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000675750198 1121349547 /nfs/dbraw/zinc/34/95/47/1121349547.db2.gz VAXUJECEYOQHCH-GVDBMIGSSA-N 2 1 266.473 3.667 20 0 CHADMP Cc1cc(C)[nH+]c(NC2=CC[N@H+](Cc3ccccc3)CC2)c1 ZINC001175505954 1121350813 /nfs/dbraw/zinc/35/08/13/1121350813.db2.gz WTHAXSPSKCDHNQ-UHFFFAOYSA-N 2 1 293.414 3.900 20 0 CHADMP Cc1cc(C)[nH+]c(NC2=CC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001175505954 1121350821 /nfs/dbraw/zinc/35/08/21/1121350821.db2.gz WTHAXSPSKCDHNQ-UHFFFAOYSA-N 2 1 293.414 3.900 20 0 CHADMP C[C@H](CCC1CCCCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000675752208 1121351119 /nfs/dbraw/zinc/35/11/19/1121351119.db2.gz NPUUIHXLZYXMBA-NXHRZFHOSA-N 2 1 278.484 3.952 20 0 CHADMP C[C@@H](CCc1cccc(F)c1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000432790537 1121354024 /nfs/dbraw/zinc/35/40/24/1121354024.db2.gz CJZMEMQHUNCDHZ-MAUKXSAKSA-N 2 1 292.442 3.563 20 0 CHADMP C[C@H](CCc1cccc(F)c1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000432790538 1121354364 /nfs/dbraw/zinc/35/43/64/1121354364.db2.gz CJZMEMQHUNCDHZ-QAPCUYQASA-N 2 1 292.442 3.563 20 0 CHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000675778305 1121355424 /nfs/dbraw/zinc/35/54/24/1121355424.db2.gz CIVDRYCIVNYYJS-JTDSTZFVSA-N 2 1 286.463 3.533 20 0 CHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000675778304 1121355674 /nfs/dbraw/zinc/35/56/74/1121355674.db2.gz CIVDRYCIVNYYJS-GPMSIDNRSA-N 2 1 286.463 3.533 20 0 CHADMP Cc1occc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000675780401 1121356072 /nfs/dbraw/zinc/35/60/72/1121356072.db2.gz XWEVDGZBWSMBBH-RDTXWAMCSA-N 2 1 290.451 3.721 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(F)c2ccccc12 ZINC000631045406 1128980835 /nfs/dbraw/zinc/98/08/35/1128980835.db2.gz FINDMSPROQBXKE-UHFFFAOYSA-N 2 1 297.377 3.664 20 0 CHADMP CC[C@H](C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000432816118 1121379372 /nfs/dbraw/zinc/37/93/72/1121379372.db2.gz NDSJZXAKLCRLQQ-SJLPKXTDSA-N 2 1 274.452 3.596 20 0 CHADMP Cc1scc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1C ZINC000631081935 1128984080 /nfs/dbraw/zinc/98/40/80/1128984080.db2.gz BWWTYIWEUZBVSL-UHFFFAOYSA-N 2 1 292.492 3.862 20 0 CHADMP Cc1cccc([C@H](C)[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1 ZINC001175767636 1121459544 /nfs/dbraw/zinc/45/95/44/1121459544.db2.gz JGESLLOCYMURTA-SJORKVTESA-N 2 1 295.430 3.662 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000219234544 1121469423 /nfs/dbraw/zinc/46/94/23/1121469423.db2.gz GPADXURDIJDRIU-MAZHCROVSA-N 2 1 280.843 3.863 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000219234544 1121469428 /nfs/dbraw/zinc/46/94/28/1121469428.db2.gz GPADXURDIJDRIU-MAZHCROVSA-N 2 1 280.843 3.863 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000766161915 1121530947 /nfs/dbraw/zinc/53/09/47/1121530947.db2.gz KFSORCPUTHGRSA-GOSISDBHSA-N 2 1 283.419 3.557 20 0 CHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](c2ccccc2)C1 ZINC000433044472 1121534671 /nfs/dbraw/zinc/53/46/71/1121534671.db2.gz NEBSVNFBEYWCPW-RTBURBONSA-N 2 1 286.463 3.740 20 0 CHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433044472 1121534674 /nfs/dbraw/zinc/53/46/74/1121534674.db2.gz NEBSVNFBEYWCPW-RTBURBONSA-N 2 1 286.463 3.740 20 0 CHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433044472 1121534680 /nfs/dbraw/zinc/53/46/80/1121534680.db2.gz NEBSVNFBEYWCPW-RTBURBONSA-N 2 1 286.463 3.740 20 0 CHADMP C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000682029869 1121571765 /nfs/dbraw/zinc/57/17/65/1121571765.db2.gz GRNFFNYENZUOPR-UONOGXRCSA-N 2 1 292.389 3.525 20 0 CHADMP C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CCC[NH+]1CCCCC1 ZINC000682029869 1121571771 /nfs/dbraw/zinc/57/17/71/1121571771.db2.gz GRNFFNYENZUOPR-UONOGXRCSA-N 2 1 292.389 3.525 20 0 CHADMP C[C@@H](c1ccccc1F)[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000317373055 1121602977 /nfs/dbraw/zinc/60/29/77/1121602977.db2.gz KBTBFRJOHZWHHI-AWEZNQCLSA-N 2 1 298.405 3.664 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C1CCC(C(C)C)CC1 ZINC000433167627 1121603338 /nfs/dbraw/zinc/60/33/38/1121603338.db2.gz NWPBEKRYPRKHKA-UHFFFAOYSA-N 2 1 277.456 3.728 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)C1CCC(C(C)C)CC1 ZINC000433167627 1121603340 /nfs/dbraw/zinc/60/33/40/1121603340.db2.gz NWPBEKRYPRKHKA-UHFFFAOYSA-N 2 1 277.456 3.728 20 0 CHADMP c1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C2CCC2)cc1 ZINC000166487391 1121629108 /nfs/dbraw/zinc/62/91/08/1121629108.db2.gz ZQCXVNPGQPAENM-QRVBRYPASA-N 2 1 284.447 3.744 20 0 CHADMP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000161617772 1121643181 /nfs/dbraw/zinc/64/31/81/1121643181.db2.gz ABZIKGOHANUTDY-VQHPVUNQSA-N 2 1 264.457 3.562 20 0 CHADMP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000161630466 1121646718 /nfs/dbraw/zinc/64/67/18/1121646718.db2.gz XACZZJFDWSMLLI-NMLBUPMWSA-N 2 1 298.474 3.614 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1cccc(C)c1C ZINC000428749484 1121658043 /nfs/dbraw/zinc/65/80/43/1121658043.db2.gz NVPSHMAEMAVPOZ-UHFFFAOYSA-N 2 1 285.435 3.721 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1cccc(C)c1C ZINC000428749484 1121658047 /nfs/dbraw/zinc/65/80/47/1121658047.db2.gz NVPSHMAEMAVPOZ-UHFFFAOYSA-N 2 1 285.435 3.721 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000513236992 1121674860 /nfs/dbraw/zinc/67/48/60/1121674860.db2.gz ROWLAOXHDTWBMC-AEFFLSMTSA-N 2 1 274.452 3.801 20 0 CHADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC001177611732 1121742678 /nfs/dbraw/zinc/74/26/78/1121742678.db2.gz HENFSJXWQSOEHN-LSDHHAIUSA-N 2 1 254.462 3.523 20 0 CHADMP CC(C)(C)C1CCC([N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000709968874 1121691772 /nfs/dbraw/zinc/69/17/72/1121691772.db2.gz CWKQTKJVESRDGZ-HTWSVDAQSA-N 2 1 278.484 3.667 20 0 CHADMP CCc1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC001204179113 1121698352 /nfs/dbraw/zinc/69/83/52/1121698352.db2.gz IZTZFZDQNAUVQC-UHFFFAOYSA-N 2 1 286.463 3.699 20 0 CHADMP CC(C)[C@H]1CCC[C@@H]([NH2+]C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001177261710 1121720465 /nfs/dbraw/zinc/72/04/65/1121720465.db2.gz ITINYCSDWKCGTK-ZJPYXAASSA-N 2 1 280.500 3.911 20 0 CHADMP CC(C)[C@H]1CCC[C@@H]([NH2+]C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001177261710 1121720471 /nfs/dbraw/zinc/72/04/71/1121720471.db2.gz ITINYCSDWKCGTK-ZJPYXAASSA-N 2 1 280.500 3.911 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206297681 1121720778 /nfs/dbraw/zinc/72/07/78/1121720778.db2.gz ZZQPSTIMOJSKDH-IRXDYDNUSA-N 2 1 266.473 3.820 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)c(F)c1 ZINC000212814742 1121725111 /nfs/dbraw/zinc/72/51/11/1121725111.db2.gz SORCLFXPZJSLRO-FPMFFAJLSA-N 2 1 296.817 3.757 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)c(F)c1 ZINC000212814742 1121725116 /nfs/dbraw/zinc/72/51/16/1121725116.db2.gz SORCLFXPZJSLRO-FPMFFAJLSA-N 2 1 296.817 3.757 20 0 CHADMP CC[C@H](C)[N@H+](C)CC[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC001177611732 1121742675 /nfs/dbraw/zinc/74/26/75/1121742675.db2.gz HENFSJXWQSOEHN-LSDHHAIUSA-N 2 1 254.462 3.523 20 0 CHADMP CCCC[C@@H](CC)CC[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000535597495 1121744453 /nfs/dbraw/zinc/74/44/53/1121744453.db2.gz HZJFVINHLIIMQA-HZPDHXFCSA-N 2 1 254.462 3.524 20 0 CHADMP CCCC[C@H](CCC)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166812197 1121752573 /nfs/dbraw/zinc/75/25/73/1121752573.db2.gz KZRFYIZOOFISMI-YESZJQIVSA-N 2 1 266.473 3.809 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)CCCSC(C)(C)C)CC1 ZINC000878034284 1121764670 /nfs/dbraw/zinc/76/46/70/1121764670.db2.gz LQKBISGOXIVMJD-UHFFFAOYSA-N 2 1 286.529 3.713 20 0 CHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCSc3ccccc32)C1 ZINC000414170847 1121833329 /nfs/dbraw/zinc/83/33/29/1121833329.db2.gz CKDRDQNUXGXLAN-ZBFHGGJFSA-N 2 1 290.476 3.545 20 0 CHADMP c1ccc2cc(C[N@H+](CC3CC[NH2+]CC3)C3CC3)ccc2c1 ZINC000262332570 1129016031 /nfs/dbraw/zinc/01/60/31/1129016031.db2.gz SPVUHAAYDACFOY-UHFFFAOYSA-N 2 1 294.442 3.804 20 0 CHADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H]([C@@H]3CCCC3(C)C)C2)CC1 ZINC001206394190 1121904201 /nfs/dbraw/zinc/90/42/01/1121904201.db2.gz ZPSNMMOILOURSK-MSOLQXFVSA-N 2 1 292.511 3.867 20 0 CHADMP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)C1 ZINC001179816785 1121913147 /nfs/dbraw/zinc/91/31/47/1121913147.db2.gz NTFCEMJDPIULLY-FLXSYLCISA-N 2 1 278.484 3.521 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)C/C=C/c2cccc(F)c2)C[C@@H]1C ZINC001179898273 1121918624 /nfs/dbraw/zinc/91/86/24/1121918624.db2.gz KHVXFUGKRJRQQK-UCSQHBGMSA-N 2 1 290.426 3.644 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C/C=C/c2cccc(F)c2)C[C@@H]1C ZINC001179898273 1121918630 /nfs/dbraw/zinc/91/86/30/1121918630.db2.gz KHVXFUGKRJRQQK-UCSQHBGMSA-N 2 1 290.426 3.644 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C/C=C/c2cccc(F)c2)C[C@@H]1C ZINC001179898273 1121918634 /nfs/dbraw/zinc/91/86/34/1121918634.db2.gz KHVXFUGKRJRQQK-UCSQHBGMSA-N 2 1 290.426 3.644 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C/C=C/c2cccc(F)c2)C[C@@H]1C ZINC001179898273 1121918638 /nfs/dbraw/zinc/91/86/38/1121918638.db2.gz KHVXFUGKRJRQQK-UCSQHBGMSA-N 2 1 290.426 3.644 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)C/C=C/c2cccc(F)c2)C[C@H]1C ZINC001179898272 1121918822 /nfs/dbraw/zinc/91/88/22/1121918822.db2.gz KHVXFUGKRJRQQK-OUEBKFTGSA-N 2 1 290.426 3.644 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C/C=C/c2cccc(F)c2)C[C@H]1C ZINC001179898272 1121918826 /nfs/dbraw/zinc/91/88/26/1121918826.db2.gz KHVXFUGKRJRQQK-OUEBKFTGSA-N 2 1 290.426 3.644 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C/C=C/c2cccc(F)c2)C[C@H]1C ZINC001179898272 1121918830 /nfs/dbraw/zinc/91/88/30/1121918830.db2.gz KHVXFUGKRJRQQK-OUEBKFTGSA-N 2 1 290.426 3.644 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C/C=C/c2cccc(F)c2)C[C@H]1C ZINC001179898272 1121918834 /nfs/dbraw/zinc/91/88/34/1121918834.db2.gz KHVXFUGKRJRQQK-OUEBKFTGSA-N 2 1 290.426 3.644 20 0 CHADMP CCC[N@H+](C[C@@H](C)[NH3+])[C@@H](C)c1cc2ccccc2o1 ZINC000420295785 1121995074 /nfs/dbraw/zinc/99/50/74/1121995074.db2.gz ASNVLDYBTLLFRE-OLZOCXBDSA-N 2 1 260.381 3.553 20 0 CHADMP CCC[N@@H+](C[C@@H](C)[NH3+])[C@@H](C)c1cc2ccccc2o1 ZINC000420295785 1121995082 /nfs/dbraw/zinc/99/50/82/1121995082.db2.gz ASNVLDYBTLLFRE-OLZOCXBDSA-N 2 1 260.381 3.553 20 0 CHADMP Cc1cccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)c1 ZINC000420295428 1121995861 /nfs/dbraw/zinc/99/58/61/1121995861.db2.gz AHPFGUKHZFGRAE-WMZOPIPTSA-N 2 1 272.436 3.522 20 0 CHADMP CCC[N@@H+](Cc1cccc(C(F)F)c1)C1CC[NH2+]CC1 ZINC000420308967 1121998363 /nfs/dbraw/zinc/99/83/63/1121998363.db2.gz DHYSQYQMXLTRKU-UHFFFAOYSA-N 2 1 282.378 3.588 20 0 CHADMP [NH3+]C[C@H]([NH2+]CCc1c(F)cccc1Cl)C1CCCCC1 ZINC000420374773 1122003250 /nfs/dbraw/zinc/00/32/50/1122003250.db2.gz SKOSIRQQLCXWBP-INIZCTEOSA-N 2 1 298.833 3.519 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](CC)C[C@H]1CCCC[C@H]1C ZINC001181506320 1122059477 /nfs/dbraw/zinc/05/94/77/1122059477.db2.gz PYRGYUURUDAMIP-IAGOWNOFSA-N 2 1 268.489 3.867 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC001181534047 1122062034 /nfs/dbraw/zinc/06/20/34/1122062034.db2.gz FMDJEYNEVGMMNP-TVFCKZIOSA-N 2 1 278.484 3.619 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC001181534047 1122062040 /nfs/dbraw/zinc/06/20/40/1122062040.db2.gz FMDJEYNEVGMMNP-TVFCKZIOSA-N 2 1 278.484 3.619 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC001181534047 1122062048 /nfs/dbraw/zinc/06/20/48/1122062048.db2.gz FMDJEYNEVGMMNP-TVFCKZIOSA-N 2 1 278.484 3.619 20 0 CHADMP CC[C@@H](c1ccccc1)[N@@H+](CC)CC[C@@H]1CCC[NH+]1C ZINC000502688986 1122134174 /nfs/dbraw/zinc/13/41/74/1122134174.db2.gz DTLRJOSQENIXLP-ROUUACIJSA-N 2 1 274.452 3.944 20 0 CHADMP CC[C@@H](c1ccccc1)[NH+](CC)CC[C@@H]1CCC[N@@H+]1C ZINC000502688986 1122134175 /nfs/dbraw/zinc/13/41/75/1122134175.db2.gz DTLRJOSQENIXLP-ROUUACIJSA-N 2 1 274.452 3.944 20 0 CHADMP CC[C@@H](c1ccccc1)[NH+](CC)CC[C@@H]1CCC[N@H+]1C ZINC000502688986 1122134180 /nfs/dbraw/zinc/13/41/80/1122134180.db2.gz DTLRJOSQENIXLP-ROUUACIJSA-N 2 1 274.452 3.944 20 0 CHADMP Cc1ccc([C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)cc1C ZINC000502693815 1122137862 /nfs/dbraw/zinc/13/78/62/1122137862.db2.gz XMKBUYCXKGNKGR-OALUTQOASA-N 2 1 286.463 3.925 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)cc1C ZINC000502693815 1122137865 /nfs/dbraw/zinc/13/78/65/1122137865.db2.gz XMKBUYCXKGNKGR-OALUTQOASA-N 2 1 286.463 3.925 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)cc1C ZINC000502693815 1122137869 /nfs/dbraw/zinc/13/78/69/1122137869.db2.gz XMKBUYCXKGNKGR-OALUTQOASA-N 2 1 286.463 3.925 20 0 CHADMP C1=C[C@H]([N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CCC1 ZINC000502737494 1122143026 /nfs/dbraw/zinc/14/30/26/1122143026.db2.gz DZFLJHQICGHAGU-MSOLQXFVSA-N 2 1 276.468 3.683 20 0 CHADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCC[C@H]2C(C)(C)C)s1 ZINC000414542632 1122147772 /nfs/dbraw/zinc/14/77/72/1122147772.db2.gz YHJHBCYMENAGSQ-KGLIPLIRSA-N 2 1 295.496 3.509 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000503065472 1122164371 /nfs/dbraw/zinc/16/43/71/1122164371.db2.gz VMTPLDRODHUXLA-QGZVFWFLSA-N 2 1 290.426 3.669 20 0 CHADMP CC(C)[C@@H]1CCC[NH+]1C/C=C\C[N@@H+]1CCC[C@H]1C(C)C ZINC000620140076 1129035737 /nfs/dbraw/zinc/03/57/37/1129035737.db2.gz HKBSAVAKNOZRSD-SLXDBMQSSA-N 2 1 278.484 3.783 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000503094212 1122167763 /nfs/dbraw/zinc/16/77/63/1122167763.db2.gz HUMVELUOYYZYSI-ZWKOTPCHSA-N 2 1 286.463 3.596 20 0 CHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC001182714981 1122184752 /nfs/dbraw/zinc/18/47/52/1122184752.db2.gz PFPCKDYKIPDOMQ-HRCADAONSA-N 2 1 294.508 3.808 20 0 CHADMP CC(C)c1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001206542280 1122191549 /nfs/dbraw/zinc/19/15/49/1122191549.db2.gz WZKMPJXFBWLTLV-GOSISDBHSA-N 2 1 274.452 3.761 20 0 CHADMP CC1=C(C)C[C@H]([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC001182908910 1122196094 /nfs/dbraw/zinc/19/60/94/1122196094.db2.gz DDVMSIVLEXGTAE-OKZBNKHCSA-N 2 1 278.484 3.833 20 0 CHADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc3ccccc32)CC1 ZINC001205263994 1122218494 /nfs/dbraw/zinc/21/84/94/1122218494.db2.gz GOYCULMUENETQY-GOSISDBHSA-N 2 1 268.404 3.543 20 0 CHADMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205273654 1122227344 /nfs/dbraw/zinc/22/73/44/1122227344.db2.gz NOSIDKOTJCYHPJ-GOSISDBHSA-N 2 1 274.452 3.687 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000273581523 1122240231 /nfs/dbraw/zinc/24/02/31/1122240231.db2.gz MSZSULZEWVHWSN-MRXNPFEDSA-N 2 1 289.810 3.512 20 0 CHADMP C[C@@H]1C[C@]1([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000503368533 1122256564 /nfs/dbraw/zinc/25/65/64/1122256564.db2.gz DMQUJXWIUMRZDG-XOKHGSTOSA-N 2 1 292.854 3.649 20 0 CHADMP Cc1nccn1CCC[N@H+]1CC[C@@](C)(c2ccc(C)cc2)C1 ZINC000434737091 1122410201 /nfs/dbraw/zinc/41/02/01/1122410201.db2.gz IWLQQSWMAXGJEZ-LJQANCHMSA-N 2 1 297.446 3.554 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@](C)(c2ccc(C)cc2)C1 ZINC000434737091 1122410203 /nfs/dbraw/zinc/41/02/03/1122410203.db2.gz IWLQQSWMAXGJEZ-LJQANCHMSA-N 2 1 297.446 3.554 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@](C)(c2ccc(C)cc2)C1 ZINC000434737091 1122410207 /nfs/dbraw/zinc/41/02/07/1122410207.db2.gz IWLQQSWMAXGJEZ-LJQANCHMSA-N 2 1 297.446 3.554 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](C)c2ccccc2)C1 ZINC000514991471 1122468653 /nfs/dbraw/zinc/46/86/53/1122468653.db2.gz VBSOTMNRXCSQIG-ROUUACIJSA-N 2 1 288.479 3.748 20 0 CHADMP CC[NH+](CC)[C@@H](C[NH2+]C[C@H]1CC=CCC1)CC(C)C ZINC000515083634 1122474319 /nfs/dbraw/zinc/47/43/19/1122474319.db2.gz COFCKFXEWIBEEI-DLBZAZTESA-N 2 1 266.473 3.689 20 0 CHADMP C[C@H](CC1CC1)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000436293418 1122534035 /nfs/dbraw/zinc/53/40/35/1122534035.db2.gz VCZKHYQRZUMDGD-PBHICJAKSA-N 2 1 264.457 3.562 20 0 CHADMP CC1(C)C[C@@H](c2ccccc2)[N@@H+](CCCn2ccnc2)C1 ZINC000425543372 1122547737 /nfs/dbraw/zinc/54/77/37/1122547737.db2.gz PELUMVJMGONQGZ-KRWDZBQOSA-N 2 1 283.419 3.746 20 0 CHADMP CC[C@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000516678022 1122621103 /nfs/dbraw/zinc/62/11/03/1122621103.db2.gz APRUBKDJEQVMDU-INIZCTEOSA-N 2 1 274.452 3.629 20 0 CHADMP CCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167961956 1122623748 /nfs/dbraw/zinc/62/37/48/1122623748.db2.gz RBSRXEWGWPCUDR-IHWFROFDSA-N 2 1 298.474 3.744 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](C)c2ccc(F)cc2)CC1 ZINC000437596075 1122642196 /nfs/dbraw/zinc/64/21/96/1122642196.db2.gz UVGYLFGCWLNWBG-HNNXBMFYSA-N 2 1 292.442 3.734 20 0 CHADMP CC(C)c1ccc(CC[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001205602525 1122649411 /nfs/dbraw/zinc/64/94/11/1122649411.db2.gz JDVSJBWYVRGXJL-VQIMIIECSA-N 2 1 288.479 3.659 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205603908 1122651709 /nfs/dbraw/zinc/65/17/09/1122651709.db2.gz SNBVNZAHVYEKNG-YESZJQIVSA-N 2 1 266.473 3.676 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)CC[C@H]1C[NH3+] ZINC001205605251 1122656719 /nfs/dbraw/zinc/65/67/19/1122656719.db2.gz ZOLOUXGYBFBPPL-WBVHZDCISA-N 2 1 288.479 3.791 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)CC[C@@H]1C[NH3+] ZINC001205605243 1122657044 /nfs/dbraw/zinc/65/70/44/1122657044.db2.gz ZOLOUXGYBFBPPL-DOTOQJQBSA-N 2 1 288.479 3.791 20 0 CHADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(C)c(F)c1 ZINC001192880421 1122662720 /nfs/dbraw/zinc/66/27/20/1122662720.db2.gz AQWSXOPMKNWYHK-KRWDZBQOSA-N 2 1 289.398 3.770 20 0 CHADMP Cc1ccc2cc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)oc2c1 ZINC000425939622 1122670679 /nfs/dbraw/zinc/67/06/79/1122670679.db2.gz UOMWORRKBWBMEA-ZIAGYGMSSA-N 2 1 274.408 3.590 20 0 CHADMP C[C@H](C[NH2+][C@H](C)c1cc2cc(Cl)ccc2o1)C[NH+](C)C ZINC000425943758 1122672900 /nfs/dbraw/zinc/67/29/00/1122672900.db2.gz SPUGFVZHBZUXHS-VXGBXAGGSA-N 2 1 294.826 3.935 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000438086530 1122674760 /nfs/dbraw/zinc/67/47/60/1122674760.db2.gz HVZVXTAOQFPZIN-HAGHYFMRSA-N 2 1 298.474 3.713 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000438086530 1122674763 /nfs/dbraw/zinc/67/47/63/1122674763.db2.gz HVZVXTAOQFPZIN-HAGHYFMRSA-N 2 1 298.474 3.713 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000438108401 1122679495 /nfs/dbraw/zinc/67/94/95/1122679495.db2.gz KINXXUHPJBKMHH-JKSUJKDBSA-N 2 1 292.442 3.593 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000438108401 1122679498 /nfs/dbraw/zinc/67/94/98/1122679498.db2.gz KINXXUHPJBKMHH-JKSUJKDBSA-N 2 1 292.442 3.593 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000438108401 1122679500 /nfs/dbraw/zinc/67/95/00/1122679500.db2.gz KINXXUHPJBKMHH-JKSUJKDBSA-N 2 1 292.442 3.593 20 0 CHADMP CC[C@@H](C[N@@H+](CC)CC[C@H]1CCC[NH+]1C)c1ccccc1 ZINC001193592263 1122699734 /nfs/dbraw/zinc/69/97/34/1122699734.db2.gz DBMOFCKPNZMFFU-PKOBYXMFSA-N 2 1 288.479 3.986 20 0 CHADMP CC[C@@H](C[NH+](CC)CC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001193592263 1122699740 /nfs/dbraw/zinc/69/97/40/1122699740.db2.gz DBMOFCKPNZMFFU-PKOBYXMFSA-N 2 1 288.479 3.986 20 0 CHADMP CC[C@@H](C[NH+](CC)CC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001193592263 1122699745 /nfs/dbraw/zinc/69/97/45/1122699745.db2.gz DBMOFCKPNZMFFU-PKOBYXMFSA-N 2 1 288.479 3.986 20 0 CHADMP CC(C)c1cccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1 ZINC001205651236 1122727754 /nfs/dbraw/zinc/72/77/54/1122727754.db2.gz BFZIVWSGWCHVKW-YJBOKZPZSA-N 2 1 274.452 3.617 20 0 CHADMP CCc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000506384659 1122730867 /nfs/dbraw/zinc/73/08/67/1122730867.db2.gz XBNSCCYDHDSCIN-UHFFFAOYSA-N 2 1 274.452 3.554 20 0 CHADMP Cc1cc(F)cc(Cl)c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205652107 1122746048 /nfs/dbraw/zinc/74/60/48/1122746048.db2.gz ODWZMGNCKQICOH-YPMHNXCESA-N 2 1 298.833 3.594 20 0 CHADMP C[C@H]([NH2+]CCC(C)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295584930 1122752626 /nfs/dbraw/zinc/75/26/26/1122752626.db2.gz BQONSQKKPWLTJH-HOCLYGCPSA-N 2 1 296.405 3.532 20 0 CHADMP c1ccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167963781 1122758496 /nfs/dbraw/zinc/75/84/96/1122758496.db2.gz DLBYJDHCCBYEIR-YQQQUEKLSA-N 2 1 296.458 3.671 20 0 CHADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000518769904 1122790187 /nfs/dbraw/zinc/79/01/87/1122790187.db2.gz GYNLPJRANJSKFO-BDAKNGLRSA-N 2 1 294.748 3.574 20 0 CHADMP c1ccc2c(c1)cccc2CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298510613 1122817905 /nfs/dbraw/zinc/81/79/05/1122817905.db2.gz QXYFQVQSNZLITI-UHFFFAOYSA-N 2 1 294.442 3.599 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2ccccc2C)C[C@H]1C ZINC000440328900 1122838368 /nfs/dbraw/zinc/83/83/68/1122838368.db2.gz UGRCBOCUTJDIBR-MJGOQNOKSA-N 2 1 288.479 3.732 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2ccccc2C)C[C@H]1C ZINC000440328900 1122838372 /nfs/dbraw/zinc/83/83/72/1122838372.db2.gz UGRCBOCUTJDIBR-MJGOQNOKSA-N 2 1 288.479 3.732 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2ccccc2C)C[C@H]1C ZINC000440328900 1122838375 /nfs/dbraw/zinc/83/83/75/1122838375.db2.gz UGRCBOCUTJDIBR-MJGOQNOKSA-N 2 1 288.479 3.732 20 0 CHADMP CC(C)CSCCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000154062647 1129081630 /nfs/dbraw/zinc/08/16/30/1129081630.db2.gz LAGOAJKSHJYLDI-QGZVFWFLSA-N 2 1 298.540 3.716 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1C ZINC001204742217 1122846193 /nfs/dbraw/zinc/84/61/93/1122846193.db2.gz KLPGZTOOVKKIBL-UHFFFAOYSA-N 2 1 286.463 3.577 20 0 CHADMP CCc1ccc(C[N@H+](CCn2cc[nH+]c2C)CC(C)C)cc1 ZINC001195412280 1122867394 /nfs/dbraw/zinc/86/73/94/1122867394.db2.gz ATDTVTRRSSSTPN-UHFFFAOYSA-N 2 1 299.462 3.912 20 0 CHADMP CCc1ccc(C[N@@H+](CCn2cc[nH+]c2C)CC(C)C)cc1 ZINC001195412280 1122867399 /nfs/dbraw/zinc/86/73/99/1122867399.db2.gz ATDTVTRRSSSTPN-UHFFFAOYSA-N 2 1 299.462 3.912 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(CC)o2)CC1 ZINC000506859930 1122909248 /nfs/dbraw/zinc/90/92/48/1122909248.db2.gz GLVIYGWBTAXNEV-UHFFFAOYSA-N 2 1 292.467 3.786 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000506942602 1122913082 /nfs/dbraw/zinc/91/30/82/1122913082.db2.gz KOKNQFQOPQTESV-KRWDZBQOSA-N 2 1 278.484 3.787 20 0 CHADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC001197255897 1122949435 /nfs/dbraw/zinc/94/94/35/1122949435.db2.gz LNOJBZRRDAASKA-YJBOKZPZSA-N 2 1 272.436 3.653 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC001197255897 1122949439 /nfs/dbraw/zinc/94/94/39/1122949439.db2.gz LNOJBZRRDAASKA-YJBOKZPZSA-N 2 1 272.436 3.653 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000267519489 1129088920 /nfs/dbraw/zinc/08/89/20/1129088920.db2.gz NCVBSEXDRPTUKA-QAPCUYQASA-N 2 1 272.436 3.572 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000267519489 1129088924 /nfs/dbraw/zinc/08/89/24/1129088924.db2.gz NCVBSEXDRPTUKA-QAPCUYQASA-N 2 1 272.436 3.572 20 0 CHADMP c1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc(CC2CCC2)c1 ZINC001199078923 1123020306 /nfs/dbraw/zinc/02/03/06/1123020306.db2.gz WZHNPRMPZRKENF-UHFFFAOYSA-N 2 1 298.474 3.746 20 0 CHADMP CSc1ccccc1[C@H](C)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000440612439 1123022133 /nfs/dbraw/zinc/02/21/33/1123022133.db2.gz JJTSHHVANFVMOA-GJZGRUSLSA-N 2 1 292.492 3.934 20 0 CHADMP CSc1ccccc1[C@H](C)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000440612439 1123022137 /nfs/dbraw/zinc/02/21/37/1123022137.db2.gz JJTSHHVANFVMOA-GJZGRUSLSA-N 2 1 292.492 3.934 20 0 CHADMP C[C@@H]1CCC[C@@H]([NH2+]CC[N@H+](C)C2CCCCC2)CC1 ZINC001199812100 1123042062 /nfs/dbraw/zinc/04/20/62/1123042062.db2.gz HHFALTPSVQKEPH-HZPDHXFCSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+](C)C2CCCCC2)CC1 ZINC001199812100 1123042065 /nfs/dbraw/zinc/04/20/65/1123042065.db2.gz HHFALTPSVQKEPH-HZPDHXFCSA-N 2 1 266.473 3.809 20 0 CHADMP CCC[NH+](CCC)CCC[NH2+]Cc1ccc(F)c(F)c1 ZINC000520216024 1123063609 /nfs/dbraw/zinc/06/36/09/1123063609.db2.gz PIMMODIBRADGMM-UHFFFAOYSA-N 2 1 284.394 3.567 20 0 CHADMP Clc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC001200921014 1123064163 /nfs/dbraw/zinc/06/41/63/1123064163.db2.gz AZEPYNXWDMFCKJ-UHFFFAOYSA-N 2 1 292.854 3.837 20 0 CHADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC001205903962 1123064988 /nfs/dbraw/zinc/06/49/88/1123064988.db2.gz SGGNQUYSLJOWJB-ZBFHGGJFSA-N 2 1 274.452 3.543 20 0 CHADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC001205903960 1123065260 /nfs/dbraw/zinc/06/52/60/1123065260.db2.gz SGGNQUYSLJOWJB-HOCLYGCPSA-N 2 1 274.452 3.543 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205903059 1123065808 /nfs/dbraw/zinc/06/58/08/1123065808.db2.gz NFQNLNOKMLXZOF-ZIAGYGMSSA-N 2 1 288.460 3.769 20 0 CHADMP CC(C)C1CCC(C[NH2+]Cc2c[nH+]ccc2N(C)C)CC1 ZINC001201192218 1123077912 /nfs/dbraw/zinc/07/79/12/1123077912.db2.gz JRQBTBYLALDDPK-UHFFFAOYSA-N 2 1 289.467 3.700 20 0 CHADMP CCC(C)(C)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441400942 1123084394 /nfs/dbraw/zinc/08/43/94/1123084394.db2.gz MAVDFNACHTVGJP-NVXWUHKLSA-N 2 1 278.484 3.761 20 0 CHADMP CCC(C)(C)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441400942 1123084399 /nfs/dbraw/zinc/08/43/99/1123084399.db2.gz MAVDFNACHTVGJP-NVXWUHKLSA-N 2 1 278.484 3.761 20 0 CHADMP CCC(C)(C)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441400942 1123084403 /nfs/dbraw/zinc/08/44/03/1123084403.db2.gz MAVDFNACHTVGJP-NVXWUHKLSA-N 2 1 278.484 3.761 20 0 CHADMP CCC(C)(C)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441400941 1123084791 /nfs/dbraw/zinc/08/47/91/1123084791.db2.gz MAVDFNACHTVGJP-DOTOQJQBSA-N 2 1 278.484 3.761 20 0 CHADMP CCC(C)(C)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441400941 1123084793 /nfs/dbraw/zinc/08/47/93/1123084793.db2.gz MAVDFNACHTVGJP-DOTOQJQBSA-N 2 1 278.484 3.761 20 0 CHADMP CCC(C)(C)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441400941 1123084796 /nfs/dbraw/zinc/08/47/96/1123084796.db2.gz MAVDFNACHTVGJP-DOTOQJQBSA-N 2 1 278.484 3.761 20 0 CHADMP C1=CC[C@H](C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)CC1 ZINC001201411118 1123096229 /nfs/dbraw/zinc/09/62/29/1123096229.db2.gz OMMYCMRTJGLFHJ-KRWDZBQOSA-N 2 1 288.479 3.683 20 0 CHADMP C[N@@H+](CC1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994811 1123103186 /nfs/dbraw/zinc/10/31/86/1123103186.db2.gz QDWUWJYLXZPYDC-JWTNVVGKSA-N 2 1 276.468 3.514 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001201489790 1123108623 /nfs/dbraw/zinc/10/86/23/1123108623.db2.gz GRTAJPAGXHUHJE-INIZCTEOSA-N 2 1 266.473 3.643 20 0 CHADMP C[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@H](C)C1 ZINC001167996145 1123117027 /nfs/dbraw/zinc/11/70/27/1123117027.db2.gz XLADJYAQEXSJSH-SUQXETJPSA-N 2 1 276.468 3.512 20 0 CHADMP C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@H](C)C1 ZINC001167996145 1123117029 /nfs/dbraw/zinc/11/70/29/1123117029.db2.gz XLADJYAQEXSJSH-SUQXETJPSA-N 2 1 276.468 3.512 20 0 CHADMP CCC[C@H](C)C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001201552088 1123118538 /nfs/dbraw/zinc/11/85/38/1123118538.db2.gz JHHGDKFQBZZRMM-ULQDDVLXSA-N 2 1 266.473 3.761 20 0 CHADMP CCC[C@H](C)C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001201552088 1123118541 /nfs/dbraw/zinc/11/85/41/1123118541.db2.gz JHHGDKFQBZZRMM-ULQDDVLXSA-N 2 1 266.473 3.761 20 0 CHADMP CCC[C@H](C)C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001201552088 1123118546 /nfs/dbraw/zinc/11/85/46/1123118546.db2.gz JHHGDKFQBZZRMM-ULQDDVLXSA-N 2 1 266.473 3.761 20 0 CHADMP CCC[C@@H](C)C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001201552087 1123119065 /nfs/dbraw/zinc/11/90/65/1123119065.db2.gz JHHGDKFQBZZRMM-IXDOHACOSA-N 2 1 266.473 3.761 20 0 CHADMP CCC[C@@H](C)C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001201552087 1123119066 /nfs/dbraw/zinc/11/90/66/1123119066.db2.gz JHHGDKFQBZZRMM-IXDOHACOSA-N 2 1 266.473 3.761 20 0 CHADMP CCC[C@@H](C)C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001201552087 1123119067 /nfs/dbraw/zinc/11/90/67/1123119067.db2.gz JHHGDKFQBZZRMM-IXDOHACOSA-N 2 1 266.473 3.761 20 0 CHADMP CC(C)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001201616968 1123131967 /nfs/dbraw/zinc/13/19/67/1123131967.db2.gz DOUVRKORLQYXQN-GBESFXJTSA-N 2 1 286.463 3.533 20 0 CHADMP CCCC[N@@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001201713859 1123139477 /nfs/dbraw/zinc/13/94/77/1123139477.db2.gz ZCJPYQJEEIGAGP-FHWLQOOXSA-N 2 1 286.463 3.897 20 0 CHADMP CCCC[NH+]1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001201713859 1123139478 /nfs/dbraw/zinc/13/94/78/1123139478.db2.gz ZCJPYQJEEIGAGP-FHWLQOOXSA-N 2 1 286.463 3.897 20 0 CHADMP CCCCCC[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001201751330 1123145471 /nfs/dbraw/zinc/14/54/71/1123145471.db2.gz SBRBPXXLYSQOPV-UHFFFAOYSA-N 2 1 275.440 3.509 20 0 CHADMP CCCCCC[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001201755303 1123146046 /nfs/dbraw/zinc/14/60/46/1123146046.db2.gz XQECDCOAOITWEA-UHFFFAOYSA-N 2 1 254.462 3.619 20 0 CHADMP CCCCC[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001201734734 1123149332 /nfs/dbraw/zinc/14/93/32/1123149332.db2.gz HZJHRCSBVVHILT-UHFFFAOYSA-N 2 1 290.451 3.758 20 0 CHADMP CC(C)[C@H](Cc1ccccc1)[NH2+]CCC[N@@H+](C)C(C)C ZINC000427612011 1123195102 /nfs/dbraw/zinc/19/51/02/1123195102.db2.gz JZNNUQHSGIJKRB-SFHVURJKSA-N 2 1 276.468 3.574 20 0 CHADMP Cc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1Cl ZINC000507808560 1123215520 /nfs/dbraw/zinc/21/55/20/1123215520.db2.gz BELYIQWQXWBLBG-DOTOQJQBSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1Cl ZINC000507808560 1123215522 /nfs/dbraw/zinc/21/55/22/1123215522.db2.gz BELYIQWQXWBLBG-DOTOQJQBSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1Cl ZINC000507808560 1123215525 /nfs/dbraw/zinc/21/55/25/1123215525.db2.gz BELYIQWQXWBLBG-DOTOQJQBSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1Cl ZINC000507808560 1123215526 /nfs/dbraw/zinc/21/55/26/1123215526.db2.gz BELYIQWQXWBLBG-DOTOQJQBSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1Cl ZINC000507808560 1123215531 /nfs/dbraw/zinc/21/55/31/1123215531.db2.gz BELYIQWQXWBLBG-DOTOQJQBSA-N 2 1 292.854 3.565 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3ccc(Cl)cc32)C1 ZINC000536496456 1123233684 /nfs/dbraw/zinc/23/36/84/1123233684.db2.gz GZRZJOZVFBDJPR-DYVFJYSZSA-N 2 1 292.854 3.649 20 0 CHADMP Cc1ccc([C@H]([NH2+]CC2([NH3+])CCCC2)C2CCCC2)o1 ZINC000665248244 1123258319 /nfs/dbraw/zinc/25/83/19/1123258319.db2.gz SMCXNDFPCBEYKZ-MRXNPFEDSA-N 2 1 276.424 3.680 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2C=CCC2)cc1 ZINC000850509923 1123277753 /nfs/dbraw/zinc/27/77/53/1123277753.db2.gz QAMXLSGRJODTER-BBRMVZONSA-N 2 1 267.376 3.550 20 0 CHADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc2ccccc2c1 ZINC000271914938 1129116578 /nfs/dbraw/zinc/11/65/78/1129116578.db2.gz YSGTUQMRDXVGDV-OAHLLOKOSA-N 2 1 280.415 3.752 20 0 CHADMP c1ccc2c(c1)sc1c2CCC[C@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277629 1123308175 /nfs/dbraw/zinc/30/81/75/1123308175.db2.gz GXDNXYGVHKPOCJ-HBSPSFQMSA-N 2 1 298.455 3.620 20 0 CHADMP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc2ccccc21 ZINC000665279579 1123311403 /nfs/dbraw/zinc/31/14/03/1123311403.db2.gz GKHPHUFXQIXQDE-WHDUELSGSA-N 2 1 280.415 3.633 20 0 CHADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000665280707 1123312829 /nfs/dbraw/zinc/31/28/29/1123312829.db2.gz JGCHJEUGCDECHN-IINYFYTJSA-N 2 1 272.795 3.503 20 0 CHADMP CCC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccsc1 ZINC000443104399 1123356758 /nfs/dbraw/zinc/35/67/58/1123356758.db2.gz SCLIVAVDVRKTAR-OAHLLOKOSA-N 2 1 268.470 3.909 20 0 CHADMP CCC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccsc1 ZINC000443104399 1123356762 /nfs/dbraw/zinc/35/67/62/1123356762.db2.gz SCLIVAVDVRKTAR-OAHLLOKOSA-N 2 1 268.470 3.909 20 0 CHADMP Cc1ccc(CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000272251398 1129117305 /nfs/dbraw/zinc/11/73/05/1129117305.db2.gz YHQCMFFOBLEEEL-WMZOPIPTSA-N 2 1 298.430 3.588 20 0 CHADMP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000272251398 1129117307 /nfs/dbraw/zinc/11/73/07/1129117307.db2.gz YHQCMFFOBLEEEL-WMZOPIPTSA-N 2 1 298.430 3.588 20 0 CHADMP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000272251398 1129117309 /nfs/dbraw/zinc/11/73/09/1129117309.db2.gz YHQCMFFOBLEEEL-WMZOPIPTSA-N 2 1 298.430 3.588 20 0 CHADMP CC(C)c1cccc(C[N@@H+](C)C2CCC([NH3+])CC2)c1 ZINC000852741443 1123414173 /nfs/dbraw/zinc/41/41/73/1123414173.db2.gz SVRUEKQFUFAEGV-UHFFFAOYSA-N 2 1 260.425 3.512 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCC(F)(F)F)C[C@@H]1C ZINC000443621211 1123448771 /nfs/dbraw/zinc/44/87/71/1123448771.db2.gz LJTWQLAQBFZMHX-QWHCGFSZSA-N 2 1 280.378 3.524 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCC(F)(F)F)C[C@@H]1C ZINC000443621211 1123448772 /nfs/dbraw/zinc/44/87/72/1123448772.db2.gz LJTWQLAQBFZMHX-QWHCGFSZSA-N 2 1 280.378 3.524 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCC(F)(F)F)C[C@@H]1C ZINC000443621211 1123448774 /nfs/dbraw/zinc/44/87/74/1123448774.db2.gz LJTWQLAQBFZMHX-QWHCGFSZSA-N 2 1 280.378 3.524 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2CC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000395165133 1123461153 /nfs/dbraw/zinc/46/11/53/1123461153.db2.gz CBDPUBIVESXKFA-DOTOQJQBSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2CC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000395165133 1123461157 /nfs/dbraw/zinc/46/11/57/1123461157.db2.gz CBDPUBIVESXKFA-DOTOQJQBSA-N 2 1 286.463 3.818 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2C(C)=CCC[C@H]2C)C[C@@H]1C ZINC000443662077 1123464675 /nfs/dbraw/zinc/46/46/75/1123464675.db2.gz UMVRWRKEKCFAIT-VSZNYVQBSA-N 2 1 278.484 3.783 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2C(C)=CCC[C@H]2C)C[C@@H]1C ZINC000443662077 1123464678 /nfs/dbraw/zinc/46/46/78/1123464678.db2.gz UMVRWRKEKCFAIT-VSZNYVQBSA-N 2 1 278.484 3.783 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2C(C)=CCC[C@H]2C)C[C@@H]1C ZINC000443662077 1123464680 /nfs/dbraw/zinc/46/46/80/1123464680.db2.gz UMVRWRKEKCFAIT-VSZNYVQBSA-N 2 1 278.484 3.783 20 0 CHADMP c1cc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)co1 ZINC000727469787 1123466390 /nfs/dbraw/zinc/46/63/90/1123466390.db2.gz HCQPJNJTCGFSHH-UHFFFAOYSA-N 2 1 298.430 3.945 20 0 CHADMP Cc1cc[nH+]c(NC2CCC([NH+]3CCC(C)CC3)CC2)c1 ZINC000443716771 1123481519 /nfs/dbraw/zinc/48/15/19/1123481519.db2.gz JMYRZLUBCMKOCT-UHFFFAOYSA-N 2 1 287.451 3.845 20 0 CHADMP CC[NH+]1CCC([NH2+]C2CCC(CC)(CC)CC2)CC1 ZINC000474433166 1123530147 /nfs/dbraw/zinc/53/01/47/1123530147.db2.gz TXEMKJQDJSZHPR-UHFFFAOYSA-N 2 1 266.473 3.809 20 0 CHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000474465204 1123534942 /nfs/dbraw/zinc/53/49/42/1123534942.db2.gz WOKRTFRPXFWHEQ-HZPDHXFCSA-N 2 1 292.467 3.507 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@H](CC(C)C)c2ccccc2)C1 ZINC000474497802 1123541028 /nfs/dbraw/zinc/54/10/28/1123541028.db2.gz ZBSRURNBGHKBOI-HKUYNNGSSA-N 2 1 288.479 3.748 20 0 CHADMP C[NH+]1CCC([C@H]2CC[N@@H+](CCC3CCCCC3)C2)CC1 ZINC000519565777 1123554433 /nfs/dbraw/zinc/55/44/33/1123554433.db2.gz GWGVJQYQSXXYTA-SFHVURJKSA-N 2 1 278.484 3.621 20 0 CHADMP C[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1)C1CCSCC1 ZINC000474608951 1123557326 /nfs/dbraw/zinc/55/73/26/1123557326.db2.gz ZQSYUVFUXUUYGR-BFYDXBDKSA-N 2 1 298.540 3.618 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C(C)(C)C ZINC000157889330 1129134004 /nfs/dbraw/zinc/13/40/04/1129134004.db2.gz WIMCODQLABTLLZ-CABCVRRESA-N 2 1 254.462 3.665 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1OC ZINC000858095135 1123631002 /nfs/dbraw/zinc/63/10/02/1123631002.db2.gz LUXXPHAJHPKTCI-GDBMZVCRSA-N 2 1 290.451 3.609 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1OC ZINC000858095135 1123631004 /nfs/dbraw/zinc/63/10/04/1123631004.db2.gz LUXXPHAJHPKTCI-GDBMZVCRSA-N 2 1 290.451 3.609 20 0 CHADMP Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000858491630 1123657764 /nfs/dbraw/zinc/65/77/64/1123657764.db2.gz MDBWVIAOXBTRCG-LSDHHAIUSA-N 2 1 278.415 3.517 20 0 CHADMP C[C@@H](c1ccco1)[N@@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000346131311 1123665214 /nfs/dbraw/zinc/66/52/14/1123665214.db2.gz AOYAQIOHLKXQCN-LBPRGKRZSA-N 2 1 287.388 3.720 20 0 CHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H]1C(C)(C)C ZINC000346143323 1123666429 /nfs/dbraw/zinc/66/64/29/1123666429.db2.gz QHRXAQNIGIAYEZ-KRWDZBQOSA-N 2 1 298.434 3.586 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)CCC2CC2)c1 ZINC000346595781 1123695987 /nfs/dbraw/zinc/69/59/87/1123695987.db2.gz OAWGRFDOYWXMHZ-HNNXBMFYSA-N 2 1 274.452 3.807 20 0 CHADMP CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)C1CCCCC1 ZINC000163274207 1129140350 /nfs/dbraw/zinc/14/03/50/1129140350.db2.gz MRCBNSFFUZABDW-WBVHZDCISA-N 2 1 266.473 3.667 20 0 CHADMP CCSc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000158157504 1129140753 /nfs/dbraw/zinc/14/07/53/1129140753.db2.gz XTKNUAQTOFUNLM-LSDHHAIUSA-N 2 1 292.492 3.791 20 0 CHADMP CC(C)C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccs1 ZINC000158204596 1129141174 /nfs/dbraw/zinc/14/11/74/1129141174.db2.gz LGIOUCIZMVHHIP-GJZGRUSLSA-N 2 1 280.481 3.767 20 0 CHADMP CC(C)C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccs1 ZINC000158204596 1129141176 /nfs/dbraw/zinc/14/11/76/1129141176.db2.gz LGIOUCIZMVHHIP-GJZGRUSLSA-N 2 1 280.481 3.767 20 0 CHADMP CC1=CCC[C@@H](C)[C@H]1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000475131413 1123796456 /nfs/dbraw/zinc/79/64/56/1123796456.db2.gz RNSILQGMBSXIDN-SJORKVTESA-N 2 1 276.468 3.539 20 0 CHADMP CCC[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1cc(C)ccn1 ZINC000631651913 1123851205 /nfs/dbraw/zinc/85/12/05/1123851205.db2.gz NFHKKIXXXXEBGS-IRXDYDNUSA-N 2 1 289.467 3.553 20 0 CHADMP CCC[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc(C)ccn1 ZINC000631651913 1123851212 /nfs/dbraw/zinc/85/12/12/1123851212.db2.gz NFHKKIXXXXEBGS-IRXDYDNUSA-N 2 1 289.467 3.553 20 0 CHADMP CCC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(C)ccn1 ZINC000631651913 1123851216 /nfs/dbraw/zinc/85/12/16/1123851216.db2.gz NFHKKIXXXXEBGS-IRXDYDNUSA-N 2 1 289.467 3.553 20 0 CHADMP C[C@H]1CC([N@@H+]2C[C@H]3CC[C@@H]2C3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168063806 1123858689 /nfs/dbraw/zinc/85/86/89/1123858689.db2.gz NMSUTJXMXKRNOQ-PBWTXFEYSA-N 2 1 298.474 3.912 20 0 CHADMP C[C@H]1CC([N@H+]2C[C@H]3CC[C@@H]2C3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168063806 1123858697 /nfs/dbraw/zinc/85/86/97/1123858697.db2.gz NMSUTJXMXKRNOQ-PBWTXFEYSA-N 2 1 298.474 3.912 20 0 CHADMP C[C@H](CC[NH+](C)C)Nc1cc[nH+]c2ccc(Cl)cc12 ZINC000301363855 1123894884 /nfs/dbraw/zinc/89/48/84/1123894884.db2.gz MVDGWZSFTCDYJL-LLVKDONJSA-N 2 1 277.799 3.640 20 0 CHADMP Cc1[nH+]ccn1CCCCSCC[NH+](C(C)C)C(C)C ZINC000159079389 1129158190 /nfs/dbraw/zinc/15/81/90/1129158190.db2.gz BNJKNUUZQSWASQ-UHFFFAOYSA-N 2 1 297.512 3.824 20 0 CHADMP C[NH+](C)[C@@H](CNc1cc[nH+]c2ccc(Cl)cc12)C1CC1 ZINC000301979275 1123947691 /nfs/dbraw/zinc/94/76/91/1123947691.db2.gz HGQIKGHVPHHBHS-INIZCTEOSA-N 2 1 289.810 3.640 20 0 CHADMP Cc1cccc(NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)[nH+]1 ZINC000302236441 1123964156 /nfs/dbraw/zinc/96/41/56/1123964156.db2.gz JQOZZFSZTJAFON-GJZGRUSLSA-N 2 1 275.440 3.560 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000035011806 1124023530 /nfs/dbraw/zinc/02/35/30/1124023530.db2.gz PQUHCAYNXZCWBH-OAHLLOKOSA-N 2 1 286.463 3.700 20 0 CHADMP CCCc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC)C2)s1 ZINC000621331884 1129164102 /nfs/dbraw/zinc/16/41/02/1129164102.db2.gz RZKHGRHHCYAHJJ-AWEZNQCLSA-N 2 1 280.481 3.522 20 0 CHADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000866706681 1124094547 /nfs/dbraw/zinc/09/45/47/1124094547.db2.gz JODUDDRSKWKZNY-KRWDZBQOSA-N 2 1 296.405 3.821 20 0 CHADMP CCc1ccc(CN(C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000525271861 1124119014 /nfs/dbraw/zinc/11/90/14/1124119014.db2.gz HLMCGBYVPXHXAP-GOSISDBHSA-N 2 1 274.452 3.555 20 0 CHADMP CCc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000525271861 1124119015 /nfs/dbraw/zinc/11/90/15/1124119015.db2.gz HLMCGBYVPXHXAP-GOSISDBHSA-N 2 1 274.452 3.555 20 0 CHADMP CCc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000525271861 1124119018 /nfs/dbraw/zinc/11/90/18/1124119018.db2.gz HLMCGBYVPXHXAP-GOSISDBHSA-N 2 1 274.452 3.555 20 0 CHADMP CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC)C1)c1cc(C)ccn1 ZINC001118991243 1131244420 /nfs/dbraw/zinc/24/44/20/1131244420.db2.gz JPCVFGAOJBWKMY-IRXDYDNUSA-N 2 1 289.467 3.553 20 0 CHADMP CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)c1cc(C)ccn1 ZINC001118991243 1131244424 /nfs/dbraw/zinc/24/44/24/1131244424.db2.gz JPCVFGAOJBWKMY-IRXDYDNUSA-N 2 1 289.467 3.553 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(Cl)c1 ZINC000447315233 1124462852 /nfs/dbraw/zinc/46/28/52/1124462852.db2.gz YEIRSJBATOVRPC-NVXWUHKLSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(Cl)c1 ZINC000447315233 1124462856 /nfs/dbraw/zinc/46/28/56/1124462856.db2.gz YEIRSJBATOVRPC-NVXWUHKLSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(Cl)c1 ZINC000447315233 1124462862 /nfs/dbraw/zinc/46/28/62/1124462862.db2.gz YEIRSJBATOVRPC-NVXWUHKLSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(Cl)c1 ZINC000447315233 1124462866 /nfs/dbraw/zinc/46/28/66/1124462866.db2.gz YEIRSJBATOVRPC-NVXWUHKLSA-N 2 1 292.854 3.565 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C(C)C)c3ccccc32)CC1 ZINC000447521199 1124479843 /nfs/dbraw/zinc/47/98/43/1124479843.db2.gz VPSNXKOZRILUNH-RBUKOAKNSA-N 2 1 286.463 3.945 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CCCc3occc32)C1 ZINC000447553441 1124482956 /nfs/dbraw/zinc/48/29/56/1124482956.db2.gz WNDVNIGJSONBME-UXLLHSPISA-N 2 1 290.451 3.615 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCCc3occc32)C1 ZINC000447553441 1124482959 /nfs/dbraw/zinc/48/29/59/1124482959.db2.gz WNDVNIGJSONBME-UXLLHSPISA-N 2 1 290.451 3.615 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCc2occc21 ZINC000447536702 1124484474 /nfs/dbraw/zinc/48/44/74/1124484474.db2.gz PJWHLTRACGKFDH-WBVHZDCISA-N 2 1 290.451 3.901 20 0 CHADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000447536964 1124485294 /nfs/dbraw/zinc/48/52/94/1124485294.db2.gz ROSSZUNULRCPHG-UIAACRFSSA-N 2 1 298.474 3.945 20 0 CHADMP CC(C)C[C@H](C[NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000525985815 1124490466 /nfs/dbraw/zinc/49/04/66/1124490466.db2.gz URIAICJCSZUUBY-IEBWSBKVSA-N 2 1 288.479 3.748 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c(C)o1 ZINC000447585611 1124493024 /nfs/dbraw/zinc/49/30/24/1124493024.db2.gz KWHDNIULRPRXMP-DOTOQJQBSA-N 2 1 292.467 3.915 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c(C)o1 ZINC000447585611 1124493031 /nfs/dbraw/zinc/49/30/31/1124493031.db2.gz KWHDNIULRPRXMP-DOTOQJQBSA-N 2 1 292.467 3.915 20 0 CHADMP C[C@H](C[NH2+]C[C@@H](C)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000447813453 1124531759 /nfs/dbraw/zinc/53/17/59/1124531759.db2.gz RZAUGNDPYLXLRS-BRWVUGGUSA-N 2 1 274.452 3.500 20 0 CHADMP C[C@H](C[NH2+]C[C@@H](C)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000447813453 1124531765 /nfs/dbraw/zinc/53/17/65/1124531765.db2.gz RZAUGNDPYLXLRS-BRWVUGGUSA-N 2 1 274.452 3.500 20 0 CHADMP C[C@H](CC[NH2+]C1CC2(CCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000448057305 1124561961 /nfs/dbraw/zinc/56/19/61/1124561961.db2.gz BJIRCPYZOQGHJL-MRXNPFEDSA-N 2 1 286.463 3.819 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCC12CCC2 ZINC000449081167 1124646381 /nfs/dbraw/zinc/64/63/81/1124646381.db2.gz CGTOCWVMLVSBJV-SJORKVTESA-N 2 1 278.484 3.953 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCC12CCC2 ZINC000449081164 1124646677 /nfs/dbraw/zinc/64/66/77/1124646677.db2.gz CGTOCWVMLVSBJV-DLBZAZTESA-N 2 1 278.484 3.953 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)C1CCCC1 ZINC000449131482 1124653379 /nfs/dbraw/zinc/65/33/79/1124653379.db2.gz MWQNCTFPHVVARM-WBVHZDCISA-N 2 1 266.473 3.665 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3c(F)cccc32)[C@H](C)C1 ZINC000449349856 1124697403 /nfs/dbraw/zinc/69/74/03/1124697403.db2.gz KNFVJMGQBVFWHY-JEBQAFNWSA-N 2 1 290.426 3.523 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2CC(C)(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000449377441 1124715644 /nfs/dbraw/zinc/71/56/44/1124715644.db2.gz UBBDBWLBHIZHCY-WSDZMALLSA-N 2 1 290.426 3.520 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2CC(C)(F)C2)CC[N@H+]1Cc1ccccc1 ZINC000449377441 1124715651 /nfs/dbraw/zinc/71/56/51/1124715651.db2.gz UBBDBWLBHIZHCY-WSDZMALLSA-N 2 1 290.426 3.520 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccc(Cl)c(Cl)c1 ZINC001246097231 1131310324 /nfs/dbraw/zinc/31/03/24/1131310324.db2.gz XNNXTWXFJHGQJS-UMNHJUIQSA-N 2 1 287.234 3.785 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)CCC2=CCCCC2)CC1 ZINC000450338449 1124985650 /nfs/dbraw/zinc/98/56/50/1124985650.db2.gz KPNMANYCMHYYRL-UHFFFAOYSA-N 2 1 264.457 3.682 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)CC/C=C\c2ccccc2)CCN1C ZINC000450472048 1125039610 /nfs/dbraw/zinc/03/96/10/1125039610.db2.gz XCTSPDBIABOVCQ-AQOIUKNXSA-N 2 1 272.436 3.504 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)CC/C=C\c2ccccc2)CC[N@@H+]1C ZINC000450472048 1125039617 /nfs/dbraw/zinc/03/96/17/1125039617.db2.gz XCTSPDBIABOVCQ-AQOIUKNXSA-N 2 1 272.436 3.504 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)CC/C=C\c2ccccc2)CC[N@H+]1C ZINC000450472048 1125039626 /nfs/dbraw/zinc/03/96/26/1125039626.db2.gz XCTSPDBIABOVCQ-AQOIUKNXSA-N 2 1 272.436 3.504 20 0 CHADMP C[C@@H]1C[C@@H]([N@H+](C)CC/C=C\c2ccccc2)CC[NH+]1C ZINC000450472048 1125039631 /nfs/dbraw/zinc/03/96/31/1125039631.db2.gz XCTSPDBIABOVCQ-AQOIUKNXSA-N 2 1 272.436 3.504 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)CC/C=C\c2ccccc2)CC[NH+]1C ZINC000450472048 1125039639 /nfs/dbraw/zinc/03/96/39/1125039639.db2.gz XCTSPDBIABOVCQ-AQOIUKNXSA-N 2 1 272.436 3.504 20 0 CHADMP CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390714785 1125110682 /nfs/dbraw/zinc/11/06/82/1125110682.db2.gz IXTOCHZHQRRZCO-QGZVFWFLSA-N 2 1 274.452 3.677 20 0 CHADMP CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390714785 1125110685 /nfs/dbraw/zinc/11/06/85/1125110685.db2.gz IXTOCHZHQRRZCO-QGZVFWFLSA-N 2 1 274.452 3.677 20 0 CHADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390727992 1125111099 /nfs/dbraw/zinc/11/10/99/1125111099.db2.gz SUNCVCYPLRQNEO-QRVBRYPASA-N 2 1 286.463 3.677 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCSC(C)(C)C)C1 ZINC000878162825 1125124854 /nfs/dbraw/zinc/12/48/54/1125124854.db2.gz QERWIHFMGGYVAB-OAHLLOKOSA-N 2 1 286.529 3.572 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCSC(C)(C)C)C1 ZINC000878162825 1125124857 /nfs/dbraw/zinc/12/48/57/1125124857.db2.gz QERWIHFMGGYVAB-OAHLLOKOSA-N 2 1 286.529 3.572 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)c2ccccc2)C[C@@H]1C ZINC000530901780 1125186139 /nfs/dbraw/zinc/18/61/39/1125186139.db2.gz AVKKAGXXFUWLED-BQFCYCMXSA-N 2 1 274.452 3.595 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)c2ccccc2)C[C@@H]1C ZINC000530901780 1125186142 /nfs/dbraw/zinc/18/61/42/1125186142.db2.gz AVKKAGXXFUWLED-BQFCYCMXSA-N 2 1 274.452 3.595 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)c2ccccc2)C[C@@H]1C ZINC000530901780 1125186145 /nfs/dbraw/zinc/18/61/45/1125186145.db2.gz AVKKAGXXFUWLED-BQFCYCMXSA-N 2 1 274.452 3.595 20 0 CHADMP Cc1cc2cc(CN[C@@H]3CC[N@@H+](C)[C@@H](C)C3)oc2cc1C ZINC000530913154 1125187146 /nfs/dbraw/zinc/18/71/46/1125187146.db2.gz USHGPZITCCYCIS-GOEBONIOSA-N 2 1 286.419 3.622 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C(C)(C)C)cc2)CC[N@@H+]1C ZINC000531378860 1125211443 /nfs/dbraw/zinc/21/14/43/1125211443.db2.gz DIQPMWVGGAMTAD-MAUKXSAKSA-N 2 1 288.479 3.899 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C(C)(C)C)cc2)CC[N@H+]1C ZINC000531378860 1125211446 /nfs/dbraw/zinc/21/14/46/1125211446.db2.gz DIQPMWVGGAMTAD-MAUKXSAKSA-N 2 1 288.479 3.899 20 0 CHADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(C(C)(C)C)cc2)CC[NH+]1C ZINC000531378860 1125211452 /nfs/dbraw/zinc/21/14/52/1125211452.db2.gz DIQPMWVGGAMTAD-MAUKXSAKSA-N 2 1 288.479 3.899 20 0 CHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C(C)(C)C)cc2)CC[NH+]1C ZINC000531378860 1125211454 /nfs/dbraw/zinc/21/14/54/1125211454.db2.gz DIQPMWVGGAMTAD-MAUKXSAKSA-N 2 1 288.479 3.899 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCC1CCCCC1 ZINC000532195354 1125240005 /nfs/dbraw/zinc/24/00/05/1125240005.db2.gz FFDRREHIQNHSQJ-INMHGKMJSA-N 2 1 266.473 3.665 20 0 CHADMP CC1([NH+]2CCCCC2)CC[NH+](CCc2cccs2)CC1 ZINC000879949200 1125240688 /nfs/dbraw/zinc/24/06/88/1125240688.db2.gz SEBWCUFTSQVFSO-UHFFFAOYSA-N 2 1 292.492 3.631 20 0 CHADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](CCC4CC4)C3)C2)cc1 ZINC000475745916 1125286893 /nfs/dbraw/zinc/28/68/93/1125286893.db2.gz FSGDEEGBOZQYCH-FQEVSTJZSA-N 2 1 298.474 3.775 20 0 CHADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](CCC4CC4)C3)C2)cc1 ZINC000475745916 1125286897 /nfs/dbraw/zinc/28/68/97/1125286897.db2.gz FSGDEEGBOZQYCH-FQEVSTJZSA-N 2 1 298.474 3.775 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CCC4CC4)C3)C2)cc1 ZINC000475745916 1125286901 /nfs/dbraw/zinc/28/69/01/1125286901.db2.gz FSGDEEGBOZQYCH-FQEVSTJZSA-N 2 1 298.474 3.775 20 0 CHADMP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC000897415339 1125317890 /nfs/dbraw/zinc/31/78/90/1125317890.db2.gz YCNMEIHEBQBWIK-GDBMZVCRSA-N 2 1 290.451 3.527 20 0 CHADMP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@@H]1C ZINC000321948415 1125335322 /nfs/dbraw/zinc/33/53/22/1125335322.db2.gz WIZIUYUNGCWGKJ-IPELMVKDSA-N 2 1 286.463 3.675 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@@H]1C ZINC000321947464 1125335561 /nfs/dbraw/zinc/33/55/61/1125335561.db2.gz WEXKFINNXZLEHZ-WNHJNPCNSA-N 2 1 286.463 3.533 20 0 CHADMP C[C@H]([NH2+]CCC(C)(C)c1ccccc1)c1c[nH+]ccc1N ZINC000643463565 1125342380 /nfs/dbraw/zinc/34/23/80/1125342380.db2.gz GISYSVRLRKIETG-AWEZNQCLSA-N 2 1 283.419 3.513 20 0 CHADMP CC[C@@H](CC(C)C)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001246140019 1131350638 /nfs/dbraw/zinc/35/06/38/1131350638.db2.gz DNXIQGHSJCPSCN-BBWFWOEESA-N 2 1 260.425 3.504 20 0 CHADMP Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000061017778 1125367894 /nfs/dbraw/zinc/36/78/94/1125367894.db2.gz PFPFYATZWOTBTD-UHFFFAOYSA-N 2 1 294.442 3.749 20 0 CHADMP CCC1([NH+](C)C)CC[NH+](CCCCC(F)(F)F)CC1 ZINC000640016827 1125368201 /nfs/dbraw/zinc/36/82/01/1125368201.db2.gz DMUHABWKTLAJNK-UHFFFAOYSA-N 2 1 280.378 3.525 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1sccc1Cl ZINC000883172172 1125374822 /nfs/dbraw/zinc/37/48/22/1125374822.db2.gz YPOUXWVGHHHSOM-SMDDNHRTSA-N 2 1 298.883 3.927 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1sccc1Cl ZINC000883172172 1125374824 /nfs/dbraw/zinc/37/48/24/1125374824.db2.gz YPOUXWVGHHHSOM-SMDDNHRTSA-N 2 1 298.883 3.927 20 0 CHADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccnc(Cl)c2)CC1 ZINC000131207985 1125377430 /nfs/dbraw/zinc/37/74/30/1125377430.db2.gz PICYROJZRXDLIL-CYBMUJFWSA-N 2 1 295.858 3.506 20 0 CHADMP CCSc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000883245915 1125383781 /nfs/dbraw/zinc/38/37/81/1125383781.db2.gz VLLLCFOORTTXMW-UHFFFAOYSA-N 2 1 290.476 3.515 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(C(C)C)cc2)[C@H](C)C1 ZINC000532441836 1125386472 /nfs/dbraw/zinc/38/64/72/1125386472.db2.gz BZMRTWAUFAWQJS-APWZRJJASA-N 2 1 288.479 3.672 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC000040620650 1125388908 /nfs/dbraw/zinc/38/89/08/1125388908.db2.gz VPUYLJLAQMBQMC-QGZVFWFLSA-N 2 1 288.479 3.804 20 0 CHADMP C=C/C=C/CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000883268979 1125389045 /nfs/dbraw/zinc/38/90/45/1125389045.db2.gz XOHDGSNVULNHCS-BGWDEVLHSA-N 2 1 296.458 3.904 20 0 CHADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)c2cccc3ccccc32)C1 ZINC000226539679 1125391793 /nfs/dbraw/zinc/39/17/93/1125391793.db2.gz VUAKBSMIFONPSO-DZKIICNBSA-N 2 1 268.404 3.570 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527916 1125393977 /nfs/dbraw/zinc/39/39/77/1125393977.db2.gz KYOGNPYVSPSSDC-HUUCEWRRSA-N 2 1 268.404 3.572 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCC(C)(C)c3ccccc32)C1 ZINC000044535555 1125394119 /nfs/dbraw/zinc/39/41/19/1125394119.db2.gz HYABHIAJFLVFJJ-YJBOKZPZSA-N 2 1 286.463 3.731 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2cccs2)C2CCCC2)C1 ZINC000044533007 1125394181 /nfs/dbraw/zinc/39/41/81/1125394181.db2.gz WVFJVIKBANMVQF-WMLDXEAASA-N 2 1 292.492 3.911 20 0 CHADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1F ZINC000532503963 1125407566 /nfs/dbraw/zinc/40/75/66/1125407566.db2.gz WPEBLQTUWPDEEC-BBRMVZONSA-N 2 1 280.431 3.843 20 0 CHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4ccccc4c3)CC[C@H]21 ZINC000532536502 1125409003 /nfs/dbraw/zinc/40/90/03/1125409003.db2.gz OAGMSUNIGKRZAT-VQTJNVASSA-N 2 1 294.442 3.756 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CC1CCC(C)(C)CC1 ZINC000348235389 1125424411 /nfs/dbraw/zinc/42/44/11/1125424411.db2.gz ASXVKLYICQQYSD-AWEZNQCLSA-N 2 1 277.456 3.634 20 0 CHADMP C[C@H](C[NH2+]C[C@@H]1C[C@H]1c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000348238447 1125426376 /nfs/dbraw/zinc/42/63/76/1125426376.db2.gz FGVRFLZVBVHHFW-FPAYPSAMSA-N 2 1 286.463 3.500 20 0 CHADMP C[C@H](C[NH2+]C[C@@H]1C[C@H]1c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000348238447 1125426379 /nfs/dbraw/zinc/42/63/79/1125426379.db2.gz FGVRFLZVBVHHFW-FPAYPSAMSA-N 2 1 286.463 3.500 20 0 CHADMP C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)c(F)c1 ZINC000251780706 1125430401 /nfs/dbraw/zinc/43/04/01/1125430401.db2.gz SORCLFXPZJSLRO-UBHSHLNASA-N 2 1 296.817 3.757 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)c(F)c1 ZINC000251780706 1125430402 /nfs/dbraw/zinc/43/04/02/1125430402.db2.gz SORCLFXPZJSLRO-UBHSHLNASA-N 2 1 296.817 3.757 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)c(F)c1 ZINC000251780706 1125430403 /nfs/dbraw/zinc/43/04/03/1125430403.db2.gz SORCLFXPZJSLRO-UBHSHLNASA-N 2 1 296.817 3.757 20 0 CHADMP CC[C@H]1CCCCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000124292367 1125436209 /nfs/dbraw/zinc/43/62/09/1125436209.db2.gz UCJZLVHMIWGQEA-INIZCTEOSA-N 2 1 263.429 3.626 20 0 CHADMP CC[C@H]1CCCCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000124292367 1125436210 /nfs/dbraw/zinc/43/62/10/1125436210.db2.gz UCJZLVHMIWGQEA-INIZCTEOSA-N 2 1 263.429 3.626 20 0 CHADMP CC[C@@H]1c2ccsc2CCN1CC[C@@H]1CCC[N@H+]1C ZINC000124925947 1125443030 /nfs/dbraw/zinc/44/30/30/1125443030.db2.gz USKOMTPNBBBKMI-DZGCQCFKSA-N 2 1 278.465 3.542 20 0 CHADMP CC[C@@H]1c2ccsc2CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000124925947 1125443033 /nfs/dbraw/zinc/44/30/33/1125443033.db2.gz USKOMTPNBBBKMI-DZGCQCFKSA-N 2 1 278.465 3.542 20 0 CHADMP CC[C@@H]1c2ccsc2CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000124925947 1125443036 /nfs/dbraw/zinc/44/30/36/1125443036.db2.gz USKOMTPNBBBKMI-DZGCQCFKSA-N 2 1 278.465 3.542 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC001202612012 1125443382 /nfs/dbraw/zinc/44/33/82/1125443382.db2.gz QAMMBIWGAOORCH-BRWVUGGUSA-N 2 1 266.473 3.689 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC001202612012 1125443386 /nfs/dbraw/zinc/44/33/86/1125443386.db2.gz QAMMBIWGAOORCH-BRWVUGGUSA-N 2 1 266.473 3.689 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000235999608 1125444885 /nfs/dbraw/zinc/44/48/85/1125444885.db2.gz IPTFKIQWZTWJFW-RDJZCZTQSA-N 2 1 292.854 3.612 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000235999608 1125444887 /nfs/dbraw/zinc/44/48/87/1125444887.db2.gz IPTFKIQWZTWJFW-RDJZCZTQSA-N 2 1 292.854 3.612 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000125783134 1125452344 /nfs/dbraw/zinc/45/23/44/1125452344.db2.gz NYISISIFOCYTHP-AEFFLSMTSA-N 2 1 274.452 3.848 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000348267280 1125452453 /nfs/dbraw/zinc/45/24/53/1125452453.db2.gz PUGGNPFLRWNURP-MSOLQXFVSA-N 2 1 272.436 3.602 20 0 CHADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(-c3ccccc3)o2)C1 ZINC000163304294 1129200654 /nfs/dbraw/zinc/20/06/54/1129200654.db2.gz XCZRATIUXAAFFU-HOTGVXAUSA-N 2 1 298.430 3.939 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(-c3ccccc3)o2)C1 ZINC000163304294 1129200657 /nfs/dbraw/zinc/20/06/57/1129200657.db2.gz XCZRATIUXAAFFU-HOTGVXAUSA-N 2 1 298.430 3.939 20 0 CHADMP CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000165020862 1129211400 /nfs/dbraw/zinc/21/14/00/1129211400.db2.gz KJBOCRDQPWUCBA-BHIYHBOVSA-N 2 1 288.479 3.860 20 0 CHADMP CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000165020862 1129211402 /nfs/dbraw/zinc/21/14/02/1129211402.db2.gz KJBOCRDQPWUCBA-BHIYHBOVSA-N 2 1 288.479 3.860 20 0 CHADMP CC[C@H]([NH2+]C1CCN(C(C)C)CC1)c1ccsc1 ZINC000294434360 1129216344 /nfs/dbraw/zinc/21/63/44/1129216344.db2.gz PWPHJLBOSDYDOS-HNNXBMFYSA-N 2 1 266.454 3.662 20 0 CHADMP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccsc1 ZINC000294434360 1129216348 /nfs/dbraw/zinc/21/63/48/1129216348.db2.gz PWPHJLBOSDYDOS-HNNXBMFYSA-N 2 1 266.454 3.662 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H](C)C1CCCCC1 ZINC000166369624 1129223213 /nfs/dbraw/zinc/22/32/13/1129223213.db2.gz ITGZBPANCNWTJS-PNBKFKSVSA-N 2 1 266.473 3.664 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H](C)C1CCCCC1 ZINC000166369624 1129223215 /nfs/dbraw/zinc/22/32/15/1129223215.db2.gz ITGZBPANCNWTJS-PNBKFKSVSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638287657 1129252392 /nfs/dbraw/zinc/25/23/92/1129252392.db2.gz VRKHAKXOQPNPGJ-WMZOPIPTSA-N 2 1 272.436 3.600 20 0 CHADMP CC(C)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638287657 1129252393 /nfs/dbraw/zinc/25/23/93/1129252393.db2.gz VRKHAKXOQPNPGJ-WMZOPIPTSA-N 2 1 272.436 3.600 20 0 CHADMP CC1=C(C)C[C@@H]([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000638321325 1129253726 /nfs/dbraw/zinc/25/37/26/1129253726.db2.gz LNBFWIQRMACAQB-HOTGVXAUSA-N 2 1 276.468 3.728 20 0 CHADMP CC1=C(C)C[C@H]([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000638358767 1129255440 /nfs/dbraw/zinc/25/54/40/1129255440.db2.gz KBMHEBZXDMHRKV-BRWVUGGUSA-N 2 1 276.468 3.585 20 0 CHADMP CC1=C(C)C[C@H]([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000638358770 1129255484 /nfs/dbraw/zinc/25/54/84/1129255484.db2.gz KBMHEBZXDMHRKV-GVDBMIGSSA-N 2 1 276.468 3.585 20 0 CHADMP CC1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638722784 1129267277 /nfs/dbraw/zinc/26/72/77/1129267277.db2.gz VDHSHKLGOPUTDL-WMZOPIPTSA-N 2 1 284.447 3.744 20 0 CHADMP CC1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638722784 1129267279 /nfs/dbraw/zinc/26/72/79/1129267279.db2.gz VDHSHKLGOPUTDL-WMZOPIPTSA-N 2 1 284.447 3.744 20 0 CHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(C(F)F)c1 ZINC000348059158 1129278464 /nfs/dbraw/zinc/27/84/64/1129278464.db2.gz WBISWIMIPQGCAT-MRXNPFEDSA-N 2 1 296.405 3.930 20 0 CHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(C(F)F)c1 ZINC000348059158 1129278466 /nfs/dbraw/zinc/27/84/66/1129278466.db2.gz WBISWIMIPQGCAT-MRXNPFEDSA-N 2 1 296.405 3.930 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccc(C(F)F)c1 ZINC000348059158 1129278469 /nfs/dbraw/zinc/27/84/69/1129278469.db2.gz WBISWIMIPQGCAT-MRXNPFEDSA-N 2 1 296.405 3.930 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccc(C(F)F)c1 ZINC000348059158 1129278470 /nfs/dbraw/zinc/27/84/70/1129278470.db2.gz WBISWIMIPQGCAT-MRXNPFEDSA-N 2 1 296.405 3.930 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000639105124 1129281544 /nfs/dbraw/zinc/28/15/44/1129281544.db2.gz RVTPNWVAASDKRA-GUDVDZBRSA-N 2 1 286.463 3.596 20 0 CHADMP C[C@@H]([N@@H+](C)C/C=C/C[NH+](C)[C@@H](C)C1(C)CC1)C1(C)CC1 ZINC000177230342 1129282754 /nfs/dbraw/zinc/28/27/54/1129282754.db2.gz JMUCYNWEQNNFJE-COAGQGPPSA-N 2 1 278.484 3.783 20 0 CHADMP C[C@@H]([NH+](C)C/C=C/C[N@H+](C)[C@@H](C)C1(C)CC1)C1(C)CC1 ZINC000177230342 1129282758 /nfs/dbraw/zinc/28/27/58/1129282758.db2.gz JMUCYNWEQNNFJE-COAGQGPPSA-N 2 1 278.484 3.783 20 0 CHADMP C[C@@H]([NH+](C)C/C=C/C[N@@H+](C)[C@@H](C)C1(C)CC1)C1(C)CC1 ZINC000177230342 1129282761 /nfs/dbraw/zinc/28/27/61/1129282761.db2.gz JMUCYNWEQNNFJE-COAGQGPPSA-N 2 1 278.484 3.783 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000639169619 1129288209 /nfs/dbraw/zinc/28/82/09/1129288209.db2.gz HNBAIEGKSPSBSN-XUWVNRHRSA-N 2 1 292.492 3.560 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639166102 1129288393 /nfs/dbraw/zinc/28/83/93/1129288393.db2.gz DIZPKDWELSQAKB-TWKWOARYSA-N 2 1 284.447 3.743 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639166102 1129288395 /nfs/dbraw/zinc/28/83/95/1129288395.db2.gz DIZPKDWELSQAKB-TWKWOARYSA-N 2 1 284.447 3.743 20 0 CHADMP FCCCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639196283 1129291263 /nfs/dbraw/zinc/29/12/63/1129291263.db2.gz NPYDBQCBDYDQBI-SJLPKXTDSA-N 2 1 290.426 3.694 20 0 CHADMP FCCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639196283 1129291268 /nfs/dbraw/zinc/29/12/68/1129291268.db2.gz NPYDBQCBDYDQBI-SJLPKXTDSA-N 2 1 290.426 3.694 20 0 CHADMP C1=CCC(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639347154 1129304877 /nfs/dbraw/zinc/30/48/77/1129304877.db2.gz YLDOWJATWZDDRD-AZUAARDMSA-N 2 1 296.458 3.910 20 0 CHADMP C1=CCC(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639347154 1129304882 /nfs/dbraw/zinc/30/48/82/1129304882.db2.gz YLDOWJATWZDDRD-AZUAARDMSA-N 2 1 296.458 3.910 20 0 CHADMP CCCCC[C@@H](CC)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001258443669 1129362523 /nfs/dbraw/zinc/36/25/23/1129362523.db2.gz NWLUYZLGSPIHQC-OAHLLOKOSA-N 2 1 266.473 3.904 20 0 CHADMP CCCC[NH+]1CCC([NH2+]Cc2cc(Cl)cs2)CC1 ZINC000093094534 1129416452 /nfs/dbraw/zinc/41/64/52/1129416452.db2.gz ZVJBKWFYFWGNCS-UHFFFAOYSA-N 2 1 286.872 3.756 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c3ccccc31)CC2 ZINC000643468911 1129442466 /nfs/dbraw/zinc/44/24/66/1129442466.db2.gz JATAYUBVSRGTPN-IPMKNSEASA-N 2 1 278.399 3.717 20 0 CHADMP CCC[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000643528911 1129444403 /nfs/dbraw/zinc/44/44/03/1129444403.db2.gz QUBVXDZCIJBUKA-TVQRCGJNSA-N 2 1 275.223 3.771 20 0 CHADMP CCCCC[C@@H](CCC)[NH2+]C1CC[NH+](CC)CC1 ZINC001258662268 1129471067 /nfs/dbraw/zinc/47/10/67/1129471067.db2.gz OHXUWJFETQMBMY-OAHLLOKOSA-N 2 1 254.462 3.809 20 0 CHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccoc2)[C@H]1c1cccs1 ZINC000742373972 1129475103 /nfs/dbraw/zinc/47/51/03/1129475103.db2.gz XESJHKUCPKVOSZ-ZBFHGGJFSA-N 2 1 290.432 3.514 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccoc2)[C@H]1c1cccs1 ZINC000742373972 1129475107 /nfs/dbraw/zinc/47/51/07/1129475107.db2.gz XESJHKUCPKVOSZ-ZBFHGGJFSA-N 2 1 290.432 3.514 20 0 CHADMP CC1(C)CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000251119081 1129511102 /nfs/dbraw/zinc/51/11/02/1129511102.db2.gz DRSPGFJXWDYWST-XHSDSOJGSA-N 2 1 264.457 3.562 20 0 CHADMP CC[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344262 1129571901 /nfs/dbraw/zinc/57/19/01/1129571901.db2.gz MUEMHJTUBPZWMU-NQYYFHDYSA-N 2 1 286.463 3.500 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000647354054 1129574766 /nfs/dbraw/zinc/57/47/66/1129574766.db2.gz FEHIEJFAPFIOEY-ABHMUUKNSA-N 2 1 298.474 3.675 20 0 CHADMP CC(C)(C)c1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647482980 1129578563 /nfs/dbraw/zinc/57/85/63/1129578563.db2.gz PHNSHAAGMILFOF-UHFFFAOYSA-N 2 1 286.463 3.701 20 0 CHADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000647498939 1129580209 /nfs/dbraw/zinc/58/02/09/1129580209.db2.gz UINCCRUZXXXDIM-XJKSGUPXSA-N 2 1 286.419 3.554 20 0 CHADMP CCC[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1)c1ccccc1 ZINC000647498628 1129580544 /nfs/dbraw/zinc/58/05/44/1129580544.db2.gz LLTMKCQQJQROBK-CGTJXYLNSA-N 2 1 274.452 3.630 20 0 CHADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(C3CCCCC3)cc2)C1 ZINC000647829725 1129585278 /nfs/dbraw/zinc/58/52/78/1129585278.db2.gz QXHKLSSFRPVFLD-MRXNPFEDSA-N 2 1 272.436 3.515 20 0 CHADMP C[C@@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647889294 1129587115 /nfs/dbraw/zinc/58/71/15/1129587115.db2.gz CLFWAYGDPDEHKV-DLBZAZTESA-N 2 1 294.442 3.956 20 0 CHADMP Cc1cc[nH+]c(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000381061936 1129642420 /nfs/dbraw/zinc/64/24/20/1129642420.db2.gz LHEQSULJJVUHPI-SFHVURJKSA-N 2 1 295.430 3.714 20 0 CHADMP Cc1cc[nH+]c(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000381061936 1129642423 /nfs/dbraw/zinc/64/24/23/1129642423.db2.gz LHEQSULJJVUHPI-SFHVURJKSA-N 2 1 295.430 3.714 20 0 CHADMP Cc1nc(C)c([C@@H](C)[N@@H+](C)CCCC2CC[NH2+]CC2)s1 ZINC000649412947 1129644126 /nfs/dbraw/zinc/64/41/26/1129644126.db2.gz FVMVLARKPYZSPJ-CYBMUJFWSA-N 2 1 295.496 3.533 20 0 CHADMP CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001169060502 1129693781 /nfs/dbraw/zinc/69/37/81/1129693781.db2.gz YGIZAFSVMJAVSH-OALUTQOASA-N 2 1 288.479 3.718 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001169098871 1129696506 /nfs/dbraw/zinc/69/65/06/1129696506.db2.gz LXDGQVIVYCZIGQ-FJIDUMEYSA-N 2 1 272.436 3.743 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC001169101259 1129697599 /nfs/dbraw/zinc/69/75/99/1129697599.db2.gz PYSUKLJCUVKTSX-FJIDUMEYSA-N 2 1 290.426 3.882 20 0 CHADMP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC001169119558 1129700035 /nfs/dbraw/zinc/70/00/35/1129700035.db2.gz UJWPYCHASYRCGE-WCXIOVBPSA-N 2 1 272.436 3.579 20 0 CHADMP Cc1ccc(CC2(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001169117143 1129700414 /nfs/dbraw/zinc/70/04/14/1129700414.db2.gz WLMVWYDKOALVCA-LDLYASANSA-N 2 1 298.474 3.533 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCCC1CCCCC1)C2 ZINC001169124773 1129701345 /nfs/dbraw/zinc/70/13/45/1129701345.db2.gz SZYBSZPZRLWKDM-BCDXTJNWSA-N 2 1 278.484 3.952 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H](Cc3ccccc3)C1)C2 ZINC001169139264 1129702293 /nfs/dbraw/zinc/70/22/93/1129702293.db2.gz AFNLRYQXRGNTRM-VNTMZGSJSA-N 2 1 298.474 3.566 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](Cc3ccccc3)C1)C2 ZINC001169139264 1129702297 /nfs/dbraw/zinc/70/22/97/1129702297.db2.gz AFNLRYQXRGNTRM-VNTMZGSJSA-N 2 1 298.474 3.566 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](Cc3ccccc3)C1)C2 ZINC001169139264 1129702300 /nfs/dbraw/zinc/70/23/00/1129702300.db2.gz AFNLRYQXRGNTRM-VNTMZGSJSA-N 2 1 298.474 3.566 20 0 CHADMP Cc1cc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1Cl ZINC001169108060 1129703056 /nfs/dbraw/zinc/70/30/56/1129703056.db2.gz NPOWLZRLFQJEHH-QCEMKRCNSA-N 2 1 292.854 3.924 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(C)(C)C1CCCCC1)C2 ZINC001169113979 1129703084 /nfs/dbraw/zinc/70/30/84/1129703084.db2.gz VLXCPFUMQAHPQI-MUJYYYPQSA-N 2 1 264.457 3.560 20 0 CHADMP CC[C@@H](C)C1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169112737 1129703698 /nfs/dbraw/zinc/70/36/98/1129703698.db2.gz SEHVBHYHCIATIS-APFOPLSGSA-N 2 1 278.484 3.806 20 0 CHADMP CC[C@@H](C)C1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169112739 1129703782 /nfs/dbraw/zinc/70/37/82/1129703782.db2.gz SEHVBHYHCIATIS-IGXMABEMSA-N 2 1 278.484 3.806 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H](c3ccccc3)CC1)C2 ZINC001169144645 1129704858 /nfs/dbraw/zinc/70/48/58/1129704858.db2.gz LIOBXGLKHJMTDK-HAGHYFMRSA-N 2 1 298.474 3.881 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H](c3ccccc3)CC1)C2 ZINC001169144645 1129704859 /nfs/dbraw/zinc/70/48/59/1129704859.db2.gz LIOBXGLKHJMTDK-HAGHYFMRSA-N 2 1 298.474 3.881 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@H](c3ccccc3)CC1)C2 ZINC001169144645 1129704861 /nfs/dbraw/zinc/70/48/61/1129704861.db2.gz LIOBXGLKHJMTDK-HAGHYFMRSA-N 2 1 298.474 3.881 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H]1C1CCCCC1)C2 ZINC001169153660 1129705148 /nfs/dbraw/zinc/70/51/48/1129705148.db2.gz KXKUQOPECWEXQY-MHORFTMASA-N 2 1 276.468 3.656 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H]1C1CCCCC1)C2 ZINC001169153660 1129705151 /nfs/dbraw/zinc/70/51/51/1129705151.db2.gz KXKUQOPECWEXQY-MHORFTMASA-N 2 1 276.468 3.656 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@H]1C1CCCCC1)C2 ZINC001169153660 1129705154 /nfs/dbraw/zinc/70/51/54/1129705154.db2.gz KXKUQOPECWEXQY-MHORFTMASA-N 2 1 276.468 3.656 20 0 CHADMP Cc1cc[nH+]c(C)c1N[C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169150073 1129705214 /nfs/dbraw/zinc/70/52/14/1129705214.db2.gz AQFILPAEIKYAOQ-YOEHRIQHSA-N 2 1 275.440 3.654 20 0 CHADMP Cc1cccc(C[NH+](C2CC2)[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C ZINC001169153426 1129705407 /nfs/dbraw/zinc/70/54/07/1129705407.db2.gz ISZYNTKGJDHXCV-ACDBMABISA-N 2 1 298.474 3.893 20 0 CHADMP Cc1cccc(C[NH+](C2CC2)[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC001169153426 1129705409 /nfs/dbraw/zinc/70/54/09/1129705409.db2.gz ISZYNTKGJDHXCV-ACDBMABISA-N 2 1 298.474 3.893 20 0 CHADMP Cc1cccc(C[N@H+](C2CC2)[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1C ZINC001169153426 1129705410 /nfs/dbraw/zinc/70/54/10/1129705410.db2.gz ISZYNTKGJDHXCV-ACDBMABISA-N 2 1 298.474 3.893 20 0 CHADMP Cc1cccc(C[N@@H+](C2CC2)[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1C ZINC001169153426 1129705413 /nfs/dbraw/zinc/70/54/13/1129705413.db2.gz ISZYNTKGJDHXCV-ACDBMABISA-N 2 1 298.474 3.893 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@]23C[C@H]4C[C@@](C)(C2)C[C@](C)(C4)C3)CC1 ZINC001169233133 1129711252 /nfs/dbraw/zinc/71/12/52/1129711252.db2.gz MKUYPEJBUJKIHK-IDDHLTTGSA-N 2 1 290.495 3.809 20 0 CHADMP CC[N@H+](Cc1ccc(Cl)cc1)C1CC[NH+](CC)CC1 ZINC001169266590 1129712377 /nfs/dbraw/zinc/71/23/77/1129712377.db2.gz XAAXLTNHXRWHNL-UHFFFAOYSA-N 2 1 280.843 3.646 20 0 CHADMP CC[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH+](CC)CC1 ZINC001169266590 1129712381 /nfs/dbraw/zinc/71/23/81/1129712381.db2.gz XAAXLTNHXRWHNL-UHFFFAOYSA-N 2 1 280.843 3.646 20 0 CHADMP CC(C)Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001206011511 1129726813 /nfs/dbraw/zinc/72/68/13/1129726813.db2.gz CZTDFLNYJSKZSA-QFBILLFUSA-N 2 1 288.479 3.692 20 0 CHADMP CC[C@H](Cc1cccs1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000651491998 1129741102 /nfs/dbraw/zinc/74/11/02/1129741102.db2.gz HABRPLCFEIGVER-CQSZACIVSA-N 2 1 280.481 3.533 20 0 CHADMP CCC[C@H](C)CCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC001169762086 1129755223 /nfs/dbraw/zinc/75/52/23/1129755223.db2.gz SCINJORTIAOGMO-INIZCTEOSA-N 2 1 254.462 3.621 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2(C3CCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000651984175 1129755663 /nfs/dbraw/zinc/75/56/63/1129755663.db2.gz VYFYDRYXCSTKDV-QFBILLFUSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2(C3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000651984175 1129755665 /nfs/dbraw/zinc/75/56/65/1129755665.db2.gz VYFYDRYXCSTKDV-QFBILLFUSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@@H]1c2sccc2CC[N@@H+]1CCCCCCC[NH3+] ZINC000712356538 1129758992 /nfs/dbraw/zinc/75/89/92/1129758992.db2.gz KJFUKIBZWFRLQS-CYBMUJFWSA-N 2 1 266.454 3.576 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000653557143 1129783888 /nfs/dbraw/zinc/78/38/88/1129783888.db2.gz DQCOFVPSITWYOV-HNNXBMFYSA-N 2 1 277.456 3.501 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000653557143 1129783891 /nfs/dbraw/zinc/78/38/91/1129783891.db2.gz DQCOFVPSITWYOV-HNNXBMFYSA-N 2 1 277.456 3.501 20 0 CHADMP CC(C)(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC000653586879 1129786404 /nfs/dbraw/zinc/78/64/04/1129786404.db2.gz GJUZOXTZXFLALH-CRAIPNDOSA-N 2 1 290.495 3.761 20 0 CHADMP CC(C)(CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CC1 ZINC000653586879 1129786406 /nfs/dbraw/zinc/78/64/06/1129786406.db2.gz GJUZOXTZXFLALH-CRAIPNDOSA-N 2 1 290.495 3.761 20 0 CHADMP CC(C)(CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CC1 ZINC000653586879 1129786410 /nfs/dbraw/zinc/78/64/10/1129786410.db2.gz GJUZOXTZXFLALH-CRAIPNDOSA-N 2 1 290.495 3.761 20 0 CHADMP CC(C)(CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC000653586880 1129786846 /nfs/dbraw/zinc/78/68/46/1129786846.db2.gz GJUZOXTZXFLALH-MAUKXSAKSA-N 2 1 290.495 3.761 20 0 CHADMP CC(C)(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CC1 ZINC000653586880 1129786850 /nfs/dbraw/zinc/78/68/50/1129786850.db2.gz GJUZOXTZXFLALH-MAUKXSAKSA-N 2 1 290.495 3.761 20 0 CHADMP CC(C)(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CC1 ZINC000653586880 1129786853 /nfs/dbraw/zinc/78/68/53/1129786853.db2.gz GJUZOXTZXFLALH-MAUKXSAKSA-N 2 1 290.495 3.761 20 0 CHADMP CC[C@@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000380945867 1129833292 /nfs/dbraw/zinc/83/32/92/1129833292.db2.gz OTQCEKGMVOHSHH-MOPGFXCFSA-N 2 1 288.479 3.923 20 0 CHADMP Cc1ccccc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768159891 1129836732 /nfs/dbraw/zinc/83/67/32/1129836732.db2.gz HIAHUAVZKVMQOC-UHFFFAOYSA-N 2 1 282.431 3.689 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@](C)(F)CC1 ZINC001258907077 1129844301 /nfs/dbraw/zinc/84/43/01/1129844301.db2.gz FEAODRZKTVZHSH-JKSUJKDBSA-N 2 1 272.452 3.711 20 0 CHADMP CCCC[C@H](CCC)[NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F ZINC001246221375 1131409872 /nfs/dbraw/zinc/40/98/72/1131409872.db2.gz NVOCWGNUSKGGNT-UONOGXRCSA-N 2 1 276.415 3.570 20 0 CHADMP [NH3+]C1(C[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000902413967 1130007461 /nfs/dbraw/zinc/00/74/61/1130007461.db2.gz QAZHITWTFMKAAP-ZDUSSCGKSA-N 2 1 285.218 3.525 20 0 CHADMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c(C)c1 ZINC000903072706 1130108897 /nfs/dbraw/zinc/10/88/97/1130108897.db2.gz KZZVAENQRRQTHD-JLYLLQBASA-N 2 1 284.447 3.551 20 0 CHADMP C[C@@H]1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[C@@H](C)C1 ZINC000903098833 1130111600 /nfs/dbraw/zinc/11/16/00/1130111600.db2.gz ARADAHSORXTION-ZGCYUVHPSA-N 2 1 276.468 3.559 20 0 CHADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903105822 1130113292 /nfs/dbraw/zinc/11/32/92/1130113292.db2.gz UTDISVOCUJUGRJ-MTCJNKRRSA-N 2 1 298.474 3.926 20 0 CHADMP c1ccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CC2)cc1 ZINC000903151841 1130119368 /nfs/dbraw/zinc/11/93/68/1130119368.db2.gz JAOKQQYQKDAEFW-JLYLLQBASA-N 2 1 296.458 3.509 20 0 CHADMP CC1(C)CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903177241 1130124424 /nfs/dbraw/zinc/12/44/24/1130124424.db2.gz JDNGJHZPWBRGAZ-ZBSSRIJBSA-N 2 1 276.468 3.560 20 0 CHADMP CC(C)(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CC1 ZINC000903176710 1130124746 /nfs/dbraw/zinc/12/47/46/1130124746.db2.gz DFTNVTVXSNZRRM-ZXFUBFMLSA-N 2 1 276.468 3.560 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@]12C[C@@H]1CCCC2 ZINC000903211554 1130131129 /nfs/dbraw/zinc/13/11/29/1130131129.db2.gz GUMXMHZKLFKUID-DVOYLCCYSA-N 2 1 288.479 3.703 20 0 CHADMP C[C@@H](CC1CCCC1)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903378063 1130167802 /nfs/dbraw/zinc/16/78/02/1130167802.db2.gz BCNOXBOCVBYSOY-YJBOKZPZSA-N 2 1 289.467 3.633 20 0 CHADMP CCCCC[C@H](C)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903385224 1130169791 /nfs/dbraw/zinc/16/97/91/1130169791.db2.gz WIGJAGBUEBPSCQ-DOTOQJQBSA-N 2 1 277.456 3.633 20 0 CHADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(Cl)cc3ccccc32)C1 ZINC000903422636 1130174964 /nfs/dbraw/zinc/17/49/64/1130174964.db2.gz HCFOZYADHGWSOP-ZDUSSCGKSA-N 2 1 288.822 3.535 20 0 CHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc3ccccc32)C1 ZINC000903422636 1130174967 /nfs/dbraw/zinc/17/49/67/1130174967.db2.gz HCFOZYADHGWSOP-ZDUSSCGKSA-N 2 1 288.822 3.535 20 0 CHADMP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903455986 1130179749 /nfs/dbraw/zinc/17/97/49/1130179749.db2.gz AUJVDQZKYYFKTQ-MCIONIFRSA-N 2 1 295.496 3.695 20 0 CHADMP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2ccccc2CF)CCC1 ZINC000903811569 1130200846 /nfs/dbraw/zinc/20/08/46/1130200846.db2.gz NHTGOQNKKSWWFE-QGZVFWFLSA-N 2 1 290.426 3.640 20 0 CHADMP c1cc([C@H]2CCCCC[N@@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)ccn1 ZINC000903873430 1130207211 /nfs/dbraw/zinc/20/72/11/1130207211.db2.gz RBAZIHCMMHYWJP-ZCTYVAAUSA-N 2 1 299.462 3.529 20 0 CHADMP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903889982 1130208012 /nfs/dbraw/zinc/20/80/12/1130208012.db2.gz XCUDRAKLLCUUTK-ARFHVFGLSA-N 2 1 296.405 3.627 20 0 CHADMP CCSc1cccc(C[NH+]2CCC([NH3+])(CC)CC2)c1 ZINC000903946001 1130211936 /nfs/dbraw/zinc/21/19/36/1130211936.db2.gz CPJPHGHEWIONTK-UHFFFAOYSA-N 2 1 278.465 3.502 20 0 CHADMP c1cc(C[NH+]2CCCCC2)cc(-c2cc[nH+]c3c2CCN3)c1 ZINC001240174191 1130228384 /nfs/dbraw/zinc/22/83/84/1130228384.db2.gz KVSIJOOFEACSQO-UHFFFAOYSA-N 2 1 293.414 3.703 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)C2CCC(F)(F)CC2)CC1 ZINC001254232412 1130230191 /nfs/dbraw/zinc/23/01/91/1130230191.db2.gz TZQAKJHOWPXDOX-UHFFFAOYSA-N 2 1 288.426 3.761 20 0 CHADMP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1ccc(F)c(Cl)c1 ZINC001254504751 1130257120 /nfs/dbraw/zinc/25/71/20/1130257120.db2.gz WAPBUGAZBKDHKV-YPMHNXCESA-N 2 1 284.806 3.614 20 0 CHADMP CC[C@@H](c1ccccc1)[N@@H+](C)[C@H]1CCC[NH+](C)CC1 ZINC001254524488 1130261060 /nfs/dbraw/zinc/26/10/60/1130261060.db2.gz CICFHYNVQDRJJI-IRXDYDNUSA-N 2 1 260.425 3.554 20 0 CHADMP CC[C@@H](c1ccccc1)[NH+](C)[C@H]1CCC[N@H+](C)CC1 ZINC001254524488 1130261064 /nfs/dbraw/zinc/26/10/64/1130261064.db2.gz CICFHYNVQDRJJI-IRXDYDNUSA-N 2 1 260.425 3.554 20 0 CHADMP CC[C@@H](c1ccccc1)[NH+](C)[C@H]1CCC[N@@H+](C)CC1 ZINC001254524488 1130261067 /nfs/dbraw/zinc/26/10/67/1130261067.db2.gz CICFHYNVQDRJJI-IRXDYDNUSA-N 2 1 260.425 3.554 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000678281981 1130390329 /nfs/dbraw/zinc/39/03/29/1130390329.db2.gz KODQYHUTTVEXGA-MRXNPFEDSA-N 2 1 286.463 3.728 20 0 CHADMP c1ccc(C[N@H+]2Cc3cccc(C4=CCC[NH2+]C4)c3C2)cc1 ZINC001240663658 1130409061 /nfs/dbraw/zinc/40/90/61/1130409061.db2.gz BHLZIIXAPFALKG-UHFFFAOYSA-N 2 1 290.410 3.579 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2c3ccccc3CC[C@@H]2C)C1 ZINC000678767551 1130451031 /nfs/dbraw/zinc/45/10/31/1130451031.db2.gz NEEZRWRRDITVCO-FCEWJHQRSA-N 2 1 286.463 3.632 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)CC(C)(C)c2ccccc2)CC1 ZINC000678811523 1130457790 /nfs/dbraw/zinc/45/77/90/1130457790.db2.gz BYBGYGMLRIJSND-UHFFFAOYSA-N 2 1 288.479 3.769 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CC(C)(C)c2ccccc2)[C@H](C)C1 ZINC000678835678 1130463308 /nfs/dbraw/zinc/46/33/08/1130463308.db2.gz NNEAJHDLKVSDGL-AEFFLSMTSA-N 2 1 288.479 3.626 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CC(C)(C)c2ccccc2)[C@H](C)C1 ZINC000678835678 1130463311 /nfs/dbraw/zinc/46/33/11/1130463311.db2.gz NNEAJHDLKVSDGL-AEFFLSMTSA-N 2 1 288.479 3.626 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CC(C)(C)c2ccccc2)[C@H](C)C1 ZINC000678835678 1130463315 /nfs/dbraw/zinc/46/33/15/1130463315.db2.gz NNEAJHDLKVSDGL-AEFFLSMTSA-N 2 1 288.479 3.626 20 0 CHADMP C[C@H](Cc1ccccc1Cl)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001170250000 1130472745 /nfs/dbraw/zinc/47/27/45/1130472745.db2.gz FZKQMLXDYTWZQF-CABCVRRESA-N 2 1 294.870 3.593 20 0 CHADMP C[C@@H](Cc1ccccc1Cl)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001170250004 1130472902 /nfs/dbraw/zinc/47/29/02/1130472902.db2.gz FZKQMLXDYTWZQF-LSDHHAIUSA-N 2 1 294.870 3.593 20 0 CHADMP CC(C)[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]CC1 ZINC001206579906 1130487220 /nfs/dbraw/zinc/48/72/20/1130487220.db2.gz AUCOIJSVSSXBAB-MRXNPFEDSA-N 2 1 280.843 3.693 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(O)cc1 ZINC000679399473 1130526972 /nfs/dbraw/zinc/52/69/72/1130526972.db2.gz AFKOUQLEJKBSHO-UHFFFAOYSA-N 2 1 298.430 3.522 20 0 CHADMP CCC(CC)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000679738933 1130553145 /nfs/dbraw/zinc/55/31/45/1130553145.db2.gz GVHQFAIWSVLKPB-GDBMZVCRSA-N 2 1 266.473 3.665 20 0 CHADMP Fc1cccc2c(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)cccc12 ZINC001235001628 1130699784 /nfs/dbraw/zinc/69/97/84/1130699784.db2.gz UMQRVEXEBXMDBE-LJQANCHMSA-N 2 1 298.405 3.554 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234994229 1130700097 /nfs/dbraw/zinc/70/00/97/1130700097.db2.gz QIHIQJLUMKZUEK-ZWKOTPCHSA-N 2 1 278.484 3.835 20 0 CHADMP CC(C)=CCCC1=CC[C@@H](C[N@H+]2CC3CC2(C[NH3+])C3)CC1 ZINC001235006119 1130703768 /nfs/dbraw/zinc/70/37/68/1130703768.db2.gz FDWKJCNABJUNIE-LMDPOFIKSA-N 2 1 288.479 3.882 20 0 CHADMP CCCc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)s1 ZINC001235042460 1130704486 /nfs/dbraw/zinc/70/44/86/1130704486.db2.gz CICHCNJCYWRKGY-KRWDZBQOSA-N 2 1 292.492 3.809 20 0 CHADMP CCc1cccc(C)c1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235037296 1130704850 /nfs/dbraw/zinc/70/48/50/1130704850.db2.gz GBBNPJCCTNTDDY-IBGZPJMESA-N 2 1 286.463 3.666 20 0 CHADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)CC1 ZINC001235042613 1130705476 /nfs/dbraw/zinc/70/54/76/1130705476.db2.gz YGCGBOOAEXWXDR-RCCFBDPRSA-N 2 1 276.468 3.587 20 0 CHADMP CC1=CC[C@H](CC[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)C1(C)C ZINC001235038286 1130705893 /nfs/dbraw/zinc/70/58/93/1130705893.db2.gz FLDNBGHMTVBXSH-MJGOQNOKSA-N 2 1 290.495 3.977 20 0 CHADMP C(C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1)C1CCCCC1 ZINC001235042645 1130705939 /nfs/dbraw/zinc/70/59/39/1130705939.db2.gz ZIMKPIOOKDDXAU-KRWDZBQOSA-N 2 1 264.457 3.565 20 0 CHADMP CCCC[C@H](CC)C[N@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001235088681 1130709286 /nfs/dbraw/zinc/70/92/86/1130709286.db2.gz NVTUULMDHYCLDD-LSDHHAIUSA-N 2 1 288.426 3.524 20 0 CHADMP C[C@H](C[N@@H+]1CCC[C@@]12CC[NH2+]C2)c1cccc2ccccc21 ZINC001235111677 1130712002 /nfs/dbraw/zinc/71/20/02/1130712002.db2.gz RXILTTPHYAPXSU-UZLBHIALSA-N 2 1 294.442 3.771 20 0 CHADMP C[C@H](C[N@H+]1CCC[C@@]12CC[NH2+]C2)c1cccc2ccccc21 ZINC001235111677 1130712006 /nfs/dbraw/zinc/71/20/06/1130712006.db2.gz RXILTTPHYAPXSU-UZLBHIALSA-N 2 1 294.442 3.771 20 0 CHADMP Cc1ccc(-c2ccc(C[NH+]3CCC4(CC[NH2+]4)CC3)cc2)o1 ZINC001235111771 1130712484 /nfs/dbraw/zinc/71/24/84/1130712484.db2.gz VCWKQXQZGAHFBM-UHFFFAOYSA-N 2 1 296.414 3.583 20 0 CHADMP C[C@H](CC[N@@H+]1CCCC[C@]12CC[NH2+]C2)CC(C)(C)C ZINC001235126671 1130713704 /nfs/dbraw/zinc/71/37/04/1130713704.db2.gz VZKHVJZLEUFOBS-NVXWUHKLSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@H](CC[N@H+]1CCCC[C@]12CC[NH2+]C2)CC(C)(C)C ZINC001235126671 1130713707 /nfs/dbraw/zinc/71/37/07/1130713707.db2.gz VZKHVJZLEUFOBS-NVXWUHKLSA-N 2 1 266.473 3.667 20 0 CHADMP c1ccc2c(c1)cccc2C[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235124330 1130713869 /nfs/dbraw/zinc/71/38/69/1130713869.db2.gz MQLAXDUBCXCNCZ-IBGZPJMESA-N 2 1 280.415 3.558 20 0 CHADMP c1ccc2c(c1)cccc2C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235124330 1130713874 /nfs/dbraw/zinc/71/38/74/1130713874.db2.gz MQLAXDUBCXCNCZ-IBGZPJMESA-N 2 1 280.415 3.558 20 0 CHADMP c1cc2ccc(C[N@H+]3CCCC34CC[NH2+]CC4)cc2s1 ZINC001235143524 1130714790 /nfs/dbraw/zinc/71/47/90/1130714790.db2.gz DMSFEBKZRQARJG-UHFFFAOYSA-N 2 1 286.444 3.619 20 0 CHADMP c1cc2c(cccc2C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)o1 ZINC001235158673 1130716257 /nfs/dbraw/zinc/71/62/57/1130716257.db2.gz VFSZICQJXGSGGQ-SFHVURJKSA-N 2 1 298.430 3.787 20 0 CHADMP CCc1ccccc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235159796 1130716337 /nfs/dbraw/zinc/71/63/37/1130716337.db2.gz ORGDATCUDXAOOJ-IBGZPJMESA-N 2 1 286.463 3.603 20 0 CHADMP c1cc2cccc(C[N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)c2[nH]1 ZINC001235156337 1130716373 /nfs/dbraw/zinc/71/63/73/1130716373.db2.gz GBLHERGASNCSSQ-SFHVURJKSA-N 2 1 297.446 3.522 20 0 CHADMP c1cc2cccc(C[N@@H+]3CCCC[C@]34CCC[NH2+]C4)c2o1 ZINC001235177803 1130718573 /nfs/dbraw/zinc/71/85/73/1130718573.db2.gz KOYMHWKOROSSKF-GOSISDBHSA-N 2 1 284.403 3.541 20 0 CHADMP c1cc2cccc(C[N@H+]3CCCC[C@]34CCC[NH2+]C4)c2o1 ZINC001235177803 1130718580 /nfs/dbraw/zinc/71/85/80/1130718580.db2.gz KOYMHWKOROSSKF-GOSISDBHSA-N 2 1 284.403 3.541 20 0 CHADMP c1cc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)c2cccccc1-2 ZINC001235181153 1130718941 /nfs/dbraw/zinc/71/89/41/1130718941.db2.gz ZDMMCMCOEALWBT-HXUWFJFHSA-N 2 1 294.442 3.900 20 0 CHADMP c1cc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)c2cccccc1-2 ZINC001235181153 1130718947 /nfs/dbraw/zinc/71/89/47/1130718947.db2.gz ZDMMCMCOEALWBT-HXUWFJFHSA-N 2 1 294.442 3.900 20 0 CHADMP C(CC1CCCC1)C[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235175804 1130719456 /nfs/dbraw/zinc/71/94/56/1130719456.db2.gz XUSLNWFPKWQOHW-QGZVFWFLSA-N 2 1 264.457 3.565 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CCCCC23CC[NH2+]CC3)c(C)c1 ZINC001235191707 1130722158 /nfs/dbraw/zinc/72/21/58/1130722158.db2.gz WKKWUZYSBHKYCX-UHFFFAOYSA-N 2 1 286.463 3.720 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001235191370 1130722839 /nfs/dbraw/zinc/72/28/39/1130722839.db2.gz SHTCEEGPEMVABS-KRWDZBQOSA-N 2 1 278.484 3.977 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235191370 1130722842 /nfs/dbraw/zinc/72/28/42/1130722842.db2.gz SHTCEEGPEMVABS-KRWDZBQOSA-N 2 1 278.484 3.977 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001235394194 1130738309 /nfs/dbraw/zinc/73/83/09/1130738309.db2.gz CGCNPCAEQCBWHE-YESZJQIVSA-N 2 1 296.474 3.768 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)sc1C ZINC001235428682 1130742442 /nfs/dbraw/zinc/74/24/42/1130742442.db2.gz RBXHQTZEEGRNTF-HOTGVXAUSA-N 2 1 292.492 3.577 20 0 CHADMP C[N@H+](Cc1sc(Cl)c2ccccc21)C1CC[NH2+]CC1 ZINC001235464213 1130746840 /nfs/dbraw/zinc/74/68/40/1130746840.db2.gz APVZDUQIRSWWSS-UHFFFAOYSA-N 2 1 294.851 3.739 20 0 CHADMP C[N@@H+](Cc1sc(Cl)c2ccccc21)C1CC[NH2+]CC1 ZINC001235464213 1130746842 /nfs/dbraw/zinc/74/68/42/1130746842.db2.gz APVZDUQIRSWWSS-UHFFFAOYSA-N 2 1 294.851 3.739 20 0 CHADMP C[C@H](C1CC1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000782189903 1130759002 /nfs/dbraw/zinc/75/90/02/1130759002.db2.gz JOGMKJQMHAXSCS-UXPWSPDFSA-N 2 1 298.474 3.771 20 0 CHADMP C[C@H](C1CC1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000782189903 1130759008 /nfs/dbraw/zinc/75/90/08/1130759008.db2.gz JOGMKJQMHAXSCS-UXPWSPDFSA-N 2 1 298.474 3.771 20 0 CHADMP C[C@H](C1CC1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000782189903 1130759012 /nfs/dbraw/zinc/75/90/12/1130759012.db2.gz JOGMKJQMHAXSCS-UXPWSPDFSA-N 2 1 298.474 3.771 20 0 CHADMP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000782192216 1130761257 /nfs/dbraw/zinc/76/12/57/1130761257.db2.gz YYTLLSIUTLMRDF-SUMWQHHRSA-N 2 1 292.854 3.601 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000782192216 1130761263 /nfs/dbraw/zinc/76/12/63/1130761263.db2.gz YYTLLSIUTLMRDF-SUMWQHHRSA-N 2 1 292.854 3.601 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000782192216 1130761268 /nfs/dbraw/zinc/76/12/68/1130761268.db2.gz YYTLLSIUTLMRDF-SUMWQHHRSA-N 2 1 292.854 3.601 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000782192216 1130761271 /nfs/dbraw/zinc/76/12/71/1130761271.db2.gz YYTLLSIUTLMRDF-SUMWQHHRSA-N 2 1 292.854 3.601 20 0 CHADMP CCCC[N@@H+](Cc1ccccc1)C[C@H]([NH3+])Cc1ccccc1 ZINC001235664798 1130764018 /nfs/dbraw/zinc/76/40/18/1130764018.db2.gz WJNHWJYQHCXGEZ-HXUWFJFHSA-N 2 1 296.458 3.859 20 0 CHADMP CCCC[N@H+](Cc1ccccc1)C[C@H]([NH3+])Cc1ccccc1 ZINC001235664798 1130764019 /nfs/dbraw/zinc/76/40/19/1130764019.db2.gz WJNHWJYQHCXGEZ-HXUWFJFHSA-N 2 1 296.458 3.859 20 0 CHADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001235675335 1130766398 /nfs/dbraw/zinc/76/63/98/1130766398.db2.gz WBDRUWBTRJDFLA-AWEZNQCLSA-N 2 1 299.462 3.636 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCCC[NH2+]2)cc1 ZINC001235679049 1130768298 /nfs/dbraw/zinc/76/82/98/1130768298.db2.gz OFJJMJOVAMCLLW-ROUUACIJSA-N 2 1 272.436 3.664 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@@H+]2C[C@H]([NH3+])Cc2ccccc2)cc1 ZINC001235679117 1130768390 /nfs/dbraw/zinc/76/83/90/1130768390.db2.gz OUSOWEFMZJGMAC-UXHICEINSA-N 2 1 294.442 3.702 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@H+]2C[C@H]([NH3+])Cc2ccccc2)cc1 ZINC001235679117 1130768392 /nfs/dbraw/zinc/76/83/92/1130768392.db2.gz OUSOWEFMZJGMAC-UXHICEINSA-N 2 1 294.442 3.702 20 0 CHADMP CC1(C[N@H+]2CCC[C@@H]2c2ccccc2Cl)CC[NH2+]CC1 ZINC001235693514 1130770292 /nfs/dbraw/zinc/77/02/92/1130770292.db2.gz BOHRBZIZPHGXHY-MRXNPFEDSA-N 2 1 292.854 3.867 20 0 CHADMP C[N@@H+](CCCc1cccc(Cl)c1)CCC1CC[NH2+]CC1 ZINC001235713836 1130772181 /nfs/dbraw/zinc/77/21/81/1130772181.db2.gz HNMGFLBFJJJYOF-UHFFFAOYSA-N 2 1 294.870 3.594 20 0 CHADMP Cc1cccc(C)c1-c1cccc(C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC001235748583 1130775857 /nfs/dbraw/zinc/77/58/57/1130775857.db2.gz CHTLYCYDXAMRHO-GOSISDBHSA-N 2 1 294.442 3.751 20 0 CHADMP [NH3+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2ccccc2)cc1 ZINC001235812400 1130781346 /nfs/dbraw/zinc/78/13/46/1130781346.db2.gz VBCUEUPVROUMGZ-ACDBMABISA-N 2 1 292.426 3.808 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC001235812685 1130782083 /nfs/dbraw/zinc/78/20/83/1130782083.db2.gz ZYFLQRHPSDWVFB-NXOAAHMSSA-N 2 1 264.457 3.713 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+](C)C[C@@H]3CC[NH2+]C3)cc2)cc1 ZINC001235843544 1130787695 /nfs/dbraw/zinc/78/76/95/1130787695.db2.gz YPUWNAGEPIKEKD-GOSISDBHSA-N 2 1 294.442 3.703 20 0 CHADMP Cc1c(C[N@H+]2C[C@H]([NH3+])CC[C@H]2C)cccc1-c1ccccc1 ZINC001235891741 1130795232 /nfs/dbraw/zinc/79/52/32/1130795232.db2.gz IQJMHKCVFVLDFS-DNVCBOLYSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1c(C[N@@H+]2C[C@H]([NH3+])CC[C@H]2C)cccc1-c1ccccc1 ZINC001235891741 1130795235 /nfs/dbraw/zinc/79/52/35/1130795235.db2.gz IQJMHKCVFVLDFS-DNVCBOLYSA-N 2 1 294.442 3.974 20 0 CHADMP C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000783224222 1130803274 /nfs/dbraw/zinc/80/32/74/1130803274.db2.gz PGXFBDWFBQIJRU-GPMSIDNRSA-N 2 1 286.463 3.949 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+]1C[C@H]([NH3+])CC[C@@H]1C ZINC001235909082 1130805391 /nfs/dbraw/zinc/80/53/91/1130805391.db2.gz YYANAFZMSUYUKS-WCQYABFASA-N 2 1 274.433 3.521 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+]1C[C@H]([NH3+])CC[C@@H]1C ZINC001235909082 1130805399 /nfs/dbraw/zinc/80/53/99/1130805399.db2.gz YYANAFZMSUYUKS-WCQYABFASA-N 2 1 274.433 3.521 20 0 CHADMP C(C1CC2(C1)CC[NH2+]CC2)[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001235949740 1130813842 /nfs/dbraw/zinc/81/38/42/1130813842.db2.gz SEGGHHZQSTXVJT-GOSISDBHSA-N 2 1 290.495 3.668 20 0 CHADMP CC[C@@H](c1ccccc1)[N@@H+](C)CC1CC2(C1)CC[NH2+]CC2 ZINC001235959297 1130816809 /nfs/dbraw/zinc/81/68/09/1130816809.db2.gz GSJOJEUHUQHQBO-SFHVURJKSA-N 2 1 286.463 3.849 20 0 CHADMP CCC(C)(C)c1ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC001235956700 1130816874 /nfs/dbraw/zinc/81/68/74/1130816874.db2.gz FXPQMNKAQPZVIU-QGZVFWFLSA-N 2 1 288.479 3.806 20 0 CHADMP CC1(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)CC[NH2+]CC1 ZINC001235960581 1130818184 /nfs/dbraw/zinc/81/81/84/1130818184.db2.gz ULBSHNNVIROJEY-GOSISDBHSA-N 2 1 286.463 3.646 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(C[NH3+])cc1 ZINC001235960757 1130818862 /nfs/dbraw/zinc/81/88/62/1130818862.db2.gz XNAOWDIDCGXMSZ-GOSISDBHSA-N 2 1 268.404 3.728 20 0 CHADMP Cc1ccc(-c2cccc(C[N@@H+]3C[C@@H]4CC[C@]4([NH3+])C3)c2)cc1 ZINC001235990150 1130825242 /nfs/dbraw/zinc/82/52/42/1130825242.db2.gz LLJPTLRYALBZBX-PMACEKPBSA-N 2 1 292.426 3.585 20 0 CHADMP Cc1ccc(-c2cccc(C[N@H+]3C[C@@H]4CC[C@]4([NH3+])C3)c2)cc1 ZINC001235990150 1130825246 /nfs/dbraw/zinc/82/52/46/1130825246.db2.gz LLJPTLRYALBZBX-PMACEKPBSA-N 2 1 292.426 3.585 20 0 CHADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1cccc3c4ccccc4oc31)C2 ZINC001235989634 1130825514 /nfs/dbraw/zinc/82/55/14/1130825514.db2.gz JCNMURLNRZCRSQ-AUUYWEPGSA-N 2 1 292.382 3.509 20 0 CHADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1cccc3c4ccccc4oc31)C2 ZINC001235989634 1130825520 /nfs/dbraw/zinc/82/55/20/1130825520.db2.gz JCNMURLNRZCRSQ-AUUYWEPGSA-N 2 1 292.382 3.509 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235990273 1130825789 /nfs/dbraw/zinc/82/57/89/1130825789.db2.gz MGWPPNXKLRSLAM-XLIONFOSSA-N 2 1 292.426 3.585 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235990273 1130825795 /nfs/dbraw/zinc/82/57/95/1130825795.db2.gz MGWPPNXKLRSLAM-XLIONFOSSA-N 2 1 292.426 3.585 20 0 CHADMP CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc2c(c1)C[NH2+]C2 ZINC001236058763 1130842776 /nfs/dbraw/zinc/84/27/76/1130842776.db2.gz AXYUDGDZIPWJAQ-HXUWFJFHSA-N 2 1 292.426 3.799 20 0 CHADMP C[C@H]1C[N@H+](Cc2ccccc2-c2ccc(F)cc2)CCC[NH2+]1 ZINC001236095812 1130859899 /nfs/dbraw/zinc/85/98/99/1130859899.db2.gz ZHTOJDCGRHJERS-HNNXBMFYSA-N 2 1 298.405 3.677 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2-c2ccc(F)cc2)CCC[NH2+]1 ZINC001236095812 1130859902 /nfs/dbraw/zinc/85/99/02/1130859902.db2.gz ZHTOJDCGRHJERS-HNNXBMFYSA-N 2 1 298.405 3.677 20 0 CHADMP C[N@@H+](CCCC[NH3+])Cc1cccc(Oc2ccccc2)c1 ZINC001236141231 1130873969 /nfs/dbraw/zinc/87/39/69/1130873969.db2.gz IWAHQYTXQNFSFO-UHFFFAOYSA-N 2 1 284.403 3.650 20 0 CHADMP CCC[N@@H+](Cc1ccc(F)c2ccoc21)C1CC[NH2+]CC1 ZINC001236183943 1130882036 /nfs/dbraw/zinc/88/20/36/1130882036.db2.gz CLUZQCXAZOPUSV-UHFFFAOYSA-N 2 1 290.382 3.536 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@@H+](C)CCCC[NH3+] ZINC001236190647 1130883172 /nfs/dbraw/zinc/88/31/72/1130883172.db2.gz WHQQOQPAAFQUOF-CQSZACIVSA-N 2 1 256.393 3.572 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236207175 1130886141 /nfs/dbraw/zinc/88/61/41/1130886141.db2.gz MTRLXFSJKVKELB-LJQANCHMSA-N 2 1 282.431 3.722 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236207175 1130886149 /nfs/dbraw/zinc/88/61/49/1130886149.db2.gz MTRLXFSJKVKELB-LJQANCHMSA-N 2 1 282.431 3.722 20 0 CHADMP CCn1ccc2c1cccc2C[N@@H+](C)C1CCC([NH2+]C)CC1 ZINC001236211958 1130887275 /nfs/dbraw/zinc/88/72/75/1130887275.db2.gz ASFFHPAKKYECKZ-UHFFFAOYSA-N 2 1 299.462 3.624 20 0 CHADMP COc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1C(C)C ZINC001236214830 1130891319 /nfs/dbraw/zinc/89/13/19/1130891319.db2.gz FQMMRMFNVXNEFR-IRXDYDNUSA-N 2 1 290.451 3.520 20 0 CHADMP COc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1C(C)C ZINC001236214830 1130891324 /nfs/dbraw/zinc/89/13/24/1130891324.db2.gz FQMMRMFNVXNEFR-IRXDYDNUSA-N 2 1 290.451 3.520 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2coc3ccc(F)cc23)CC1 ZINC001236213753 1130891777 /nfs/dbraw/zinc/89/17/77/1130891777.db2.gz UZATUCGHFLSMRV-UHFFFAOYSA-N 2 1 290.382 3.534 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(F)c(C)c2Cl)CC1 ZINC001236216266 1130892148 /nfs/dbraw/zinc/89/21/48/1130892148.db2.gz WJIKKYFGLMDXDQ-UHFFFAOYSA-N 2 1 298.833 3.750 20 0 CHADMP C[N@H+](Cc1csc2ccccc12)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236220292 1130893865 /nfs/dbraw/zinc/89/38/65/1130893865.db2.gz YRBDECHRCXURMT-LSDHHAIUSA-N 2 1 274.433 3.603 20 0 CHADMP C[N@@H+](Cc1csc2ccccc12)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236220292 1130893872 /nfs/dbraw/zinc/89/38/72/1130893872.db2.gz YRBDECHRCXURMT-LSDHHAIUSA-N 2 1 274.433 3.603 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+](C)[C@H]3CC[C@H]([NH3+])CC3)cc2)o1 ZINC001236221585 1130894647 /nfs/dbraw/zinc/89/46/47/1130894647.db2.gz CVWQIJQQVRTCNN-IYARVYRRSA-N 2 1 298.430 3.957 20 0 CHADMP C[N@@H+](Cc1ccc(C2CCC2)cc1)C1(C)CC[NH2+]CC1 ZINC001236225748 1130896515 /nfs/dbraw/zinc/89/65/15/1130896515.db2.gz FEKWRTOUFFPVBO-UHFFFAOYSA-N 2 1 272.436 3.528 20 0 CHADMP C[C@@H](CC[N@@H+](C)[C@H]1CC[C@H]([NH3+])CC1)CC(C)(C)C ZINC001236223167 1130897950 /nfs/dbraw/zinc/89/79/50/1130897950.db2.gz NQDKVMZPDMQZTG-KKUMJFAQSA-N 2 1 254.462 3.651 20 0 CHADMP CC1(C)[C@@H]2C[C@H]([N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)C[C@@H]21 ZINC001170758856 1130901191 /nfs/dbraw/zinc/90/11/91/1130901191.db2.gz YDCDXMIHMZICCS-ZJPYXAASSA-N 2 1 290.495 3.761 20 0 CHADMP Cc1ccc(C[N@@H+](C)CC2CC3(C2)CC[NH2+]CC3)cc1C ZINC001236239373 1130901605 /nfs/dbraw/zinc/90/16/05/1130901605.db2.gz FAMDHDHBENWETG-UHFFFAOYSA-N 2 1 286.463 3.515 20 0 CHADMP c1ccc(C[N@H+](C[C@H]2CC=CCC2)C2CC[NH2+]CC2)cc1 ZINC001236286798 1130911512 /nfs/dbraw/zinc/91/15/12/1130911512.db2.gz OVTFFARQTBPJGZ-SFHVURJKSA-N 2 1 284.447 3.597 20 0 CHADMP CCC[C@@H](C)C[N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236366421 1130919847 /nfs/dbraw/zinc/91/98/47/1130919847.db2.gz BWOXUMFCMKAFSU-OAHLLOKOSA-N 2 1 292.442 3.816 20 0 CHADMP Cc1csc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236374813 1130923301 /nfs/dbraw/zinc/92/33/01/1130923301.db2.gz UNCLGWVHLRNIRY-OAHLLOKOSA-N 2 1 292.492 3.801 20 0 CHADMP Cc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC001236375525 1130923316 /nfs/dbraw/zinc/92/33/16/1130923316.db2.gz ZTHVMYMYHIRRIJ-SFHVURJKSA-N 2 1 286.463 3.739 20 0 CHADMP CC[C@H](C)C[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236383709 1130924579 /nfs/dbraw/zinc/92/45/79/1130924579.db2.gz WHFLTXUNNBTYPZ-HNNXBMFYSA-N 2 1 292.442 3.673 20 0 CHADMP CC[N@@H+](C[C@H](C)c1cccc2ccccc21)C[C@@H]1CC[NH2+]C1 ZINC001236408320 1130930986 /nfs/dbraw/zinc/93/09/86/1130930986.db2.gz NOWKOCZUYNIQKA-DLBZAZTESA-N 2 1 296.458 3.875 20 0 CHADMP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1cccc2c3ccccc3oc21 ZINC001236419412 1130934503 /nfs/dbraw/zinc/93/45/03/1130934503.db2.gz INSOLOLECCMIBI-DYVFJYSZSA-N 2 1 294.398 3.898 20 0 CHADMP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1cccc2c3ccccc3oc21 ZINC001236419412 1130934506 /nfs/dbraw/zinc/93/45/06/1130934506.db2.gz INSOLOLECCMIBI-DYVFJYSZSA-N 2 1 294.398 3.898 20 0 CHADMP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1cccc2c3ccccc3oc21 ZINC001236419411 1130935113 /nfs/dbraw/zinc/93/51/13/1130935113.db2.gz INSOLOLECCMIBI-CXAGYDPISA-N 2 1 294.398 3.898 20 0 CHADMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1cccc2c3ccccc3oc21 ZINC001236419411 1130935115 /nfs/dbraw/zinc/93/51/15/1130935115.db2.gz INSOLOLECCMIBI-CXAGYDPISA-N 2 1 294.398 3.898 20 0 CHADMP Cc1c(C)c(C)c(C[N@H+]2CCC[C@@H]([NH3+])[C@H]2C)c(C)c1C ZINC001236421398 1130935478 /nfs/dbraw/zinc/93/54/78/1130935478.db2.gz QRRJPLBXVFBYAG-SJLPKXTDSA-N 2 1 274.452 3.540 20 0 CHADMP Cc1c(C)c(C)c(C[N@@H+]2CCC[C@@H]([NH3+])[C@H]2C)c(C)c1C ZINC001236421398 1130935479 /nfs/dbraw/zinc/93/54/79/1130935479.db2.gz QRRJPLBXVFBYAG-SJLPKXTDSA-N 2 1 274.452 3.540 20 0 CHADMP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001236421143 1130936084 /nfs/dbraw/zinc/93/60/84/1130936084.db2.gz PYGRJNVZVGFDLR-LIRRHRJNSA-N 2 1 298.405 3.804 20 0 CHADMP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001236421143 1130936087 /nfs/dbraw/zinc/93/60/87/1130936087.db2.gz PYGRJNVZVGFDLR-LIRRHRJNSA-N 2 1 298.405 3.804 20 0 CHADMP CC(C)C[NH2+]Cc1ccc(-c2ccc3[nH]c(N)[nH+]c3c2)cc1 ZINC001236437396 1130941819 /nfs/dbraw/zinc/94/18/19/1130941819.db2.gz XYKWOGMNUJHBBR-UHFFFAOYSA-N 2 1 294.402 3.558 20 0 CHADMP Cc1sccc1C[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236459411 1130947125 /nfs/dbraw/zinc/94/71/25/1130947125.db2.gz NDQNYVFLBKJGRT-UHFFFAOYSA-N 2 1 280.481 3.657 20 0 CHADMP CCc1ccc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)s1 ZINC001236476437 1130950236 /nfs/dbraw/zinc/95/02/36/1130950236.db2.gz XWARPSYDNVSQKD-CQSZACIVSA-N 2 1 280.481 3.521 20 0 CHADMP CCc1ccc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)s1 ZINC001236476437 1130950240 /nfs/dbraw/zinc/95/02/40/1130950240.db2.gz XWARPSYDNVSQKD-CQSZACIVSA-N 2 1 280.481 3.521 20 0 CHADMP CCCCC[N@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001236489742 1130955614 /nfs/dbraw/zinc/95/56/14/1130955614.db2.gz QLMBTXJUPCHYIB-UHFFFAOYSA-N 2 1 292.442 3.878 20 0 CHADMP CCCCC[N@@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001236489742 1130955617 /nfs/dbraw/zinc/95/56/17/1130955617.db2.gz QLMBTXJUPCHYIB-UHFFFAOYSA-N 2 1 292.442 3.878 20 0 CHADMP CCC(CC)C[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236541441 1130968751 /nfs/dbraw/zinc/96/87/51/1130968751.db2.gz KVJQFXVXDQKYAY-QAQDUYKDSA-N 2 1 266.473 3.795 20 0 CHADMP Cc1cc(C[N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)oc1C ZINC001236542454 1130969108 /nfs/dbraw/zinc/96/91/08/1130969108.db2.gz WSWXEWYVZMSGTD-QAQDUYKDSA-N 2 1 290.451 3.768 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2)CC2CCC2)CC1 ZINC001236542003 1130969212 /nfs/dbraw/zinc/96/92/12/1130969212.db2.gz RWEBFJPIYDNTFW-IYARVYRRSA-N 2 1 272.436 3.559 20 0 CHADMP Cc1cc(C[N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)ccc1F ZINC001236549884 1130973944 /nfs/dbraw/zinc/97/39/44/1130973944.db2.gz FNXFXXIHFBECKS-QAQDUYKDSA-N 2 1 292.442 3.862 20 0 CHADMP Cc1cccc(F)c1C[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236553893 1130974612 /nfs/dbraw/zinc/97/46/12/1130974612.db2.gz UUAFRCSWDOFFDM-WKILWMFISA-N 2 1 290.426 3.616 20 0 CHADMP Cc1ccsc1C[N@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552812 1130974967 /nfs/dbraw/zinc/97/49/67/1130974967.db2.gz ZZWWGKFSYWFNNR-SHTZXODSSA-N 2 1 280.481 3.784 20 0 CHADMP Cc1cc(C[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c(C)s1 ZINC001236572829 1130978711 /nfs/dbraw/zinc/97/87/11/1130978711.db2.gz UMLCSIUKRZLBIN-JCNLHEQBSA-N 2 1 292.492 3.989 20 0 CHADMP CC(C)CCC[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236572204 1130978917 /nfs/dbraw/zinc/97/89/17/1130978917.db2.gz NXBARDZURLRZRY-KOMQPUFPSA-N 2 1 252.446 3.547 20 0 CHADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001236604810 1130983262 /nfs/dbraw/zinc/98/32/62/1130983262.db2.gz OKFRJINKPOVIRD-LJQANCHMSA-N 2 1 298.405 3.663 20 0 CHADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2sc(Cl)c3ccccc32)C1 ZINC001236615480 1130984234 /nfs/dbraw/zinc/98/42/34/1130984234.db2.gz IYZHCMVCPGTJHY-HNNXBMFYSA-N 2 1 294.851 3.725 20 0 CHADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2sc(Cl)c3ccccc32)C1 ZINC001236615480 1130984236 /nfs/dbraw/zinc/98/42/36/1130984236.db2.gz IYZHCMVCPGTJHY-HNNXBMFYSA-N 2 1 294.851 3.725 20 0 CHADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(C3CCCCC3)cc2)C1 ZINC001236617391 1130984864 /nfs/dbraw/zinc/98/48/64/1130984864.db2.gz VBBIVTOMQFCLJJ-LJQANCHMSA-N 2 1 286.463 3.905 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236633399 1130986345 /nfs/dbraw/zinc/98/63/45/1130986345.db2.gz GSZYHQQIVBSNJW-INIZCTEOSA-N 2 1 278.484 3.975 20 0 CHADMP CC(C)c1cccc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c1 ZINC001236636350 1130986459 /nfs/dbraw/zinc/98/64/59/1130986459.db2.gz DALRBCLGTIKAFP-UHFFFAOYSA-N 2 1 286.463 3.917 20 0 CHADMP Cc1ccsc1C[N@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236646066 1130989055 /nfs/dbraw/zinc/98/90/55/1130989055.db2.gz DIGDQBFDFIHKJA-HNNXBMFYSA-N 2 1 278.465 3.553 20 0 CHADMP Cc1ccsc1C[N@@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236646066 1130989057 /nfs/dbraw/zinc/98/90/57/1130989057.db2.gz DIGDQBFDFIHKJA-HNNXBMFYSA-N 2 1 278.465 3.553 20 0 CHADMP CCCC[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236742237 1131002557 /nfs/dbraw/zinc/00/25/57/1131002557.db2.gz LWCFQMKGHWLDDL-QAQDUYKDSA-N 2 1 278.415 3.698 20 0 CHADMP CCC[N@@H+](CC[C@H](C)CC(C)(C)C)C[C@@H]1CC[NH2+]C1 ZINC001236830738 1131017688 /nfs/dbraw/zinc/01/76/88/1131017688.db2.gz OGMWXBSFAZPJLO-JKSUJKDBSA-N 2 1 268.489 3.770 20 0 CHADMP CCC[N@H+](Cc1ccc2ccccc2c1)C[C@@H]1CC[NH2+]C1 ZINC001236834832 1131019207 /nfs/dbraw/zinc/01/92/07/1131019207.db2.gz IPBRTCVLGXWYCF-QGZVFWFLSA-N 2 1 282.431 3.661 20 0 CHADMP CCC[N@H+](Cc1ccc2ccccc2c1)C[C@H]1CC[NH2+]C1 ZINC001236834831 1131019835 /nfs/dbraw/zinc/01/98/35/1131019835.db2.gz IPBRTCVLGXWYCF-KRWDZBQOSA-N 2 1 282.431 3.661 20 0 CHADMP CCC[N@H+](Cc1cc(C)c(Cl)c(C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236843708 1131020450 /nfs/dbraw/zinc/02/04/50/1131020450.db2.gz PVXGYBQSCQJQPO-OAHLLOKOSA-N 2 1 294.870 3.778 20 0 CHADMP CCC[N@H+](Cc1cccc(C(C)C)c1)C[C@H]1CC[NH2+]C1 ZINC001236842566 1131020916 /nfs/dbraw/zinc/02/09/16/1131020916.db2.gz FNJQNZZSJSFNRC-KRWDZBQOSA-N 2 1 274.452 3.632 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001237058210 1131043211 /nfs/dbraw/zinc/04/32/11/1131043211.db2.gz XUDANKPFUKUBMY-MRXNPFEDSA-N 2 1 282.378 3.621 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CCC[C@](C)(C[NH3+])C3)cc2)o1 ZINC001237059277 1131043557 /nfs/dbraw/zinc/04/35/57/1131043557.db2.gz SGHCVVLVIJTVMM-LJQANCHMSA-N 2 1 298.430 3.816 20 0 CHADMP C[C@@H](CC[N@H+]1CCC[C@](C)(C[NH3+])C1)CC(C)(C)C ZINC001237056074 1131043718 /nfs/dbraw/zinc/04/37/18/1131043718.db2.gz FXKOWMFEGZVKCF-GOEBONIOSA-N 2 1 254.462 3.510 20 0 CHADMP Cc1cc(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)cc(C)c1Cl ZINC001237081762 1131046994 /nfs/dbraw/zinc/04/69/94/1131046994.db2.gz MEVLRVGBDQQFNX-MRXNPFEDSA-N 2 1 280.843 3.518 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)cc(C)c1Cl ZINC001237081762 1131046999 /nfs/dbraw/zinc/04/69/99/1131046999.db2.gz MEVLRVGBDQQFNX-MRXNPFEDSA-N 2 1 280.843 3.518 20 0 CHADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2c(F)cccc12 ZINC001237082545 1131048232 /nfs/dbraw/zinc/04/82/32/1131048232.db2.gz RVPCCXUCZUZKSA-VHRNVKJDSA-N 2 1 298.405 3.681 20 0 CHADMP Cc1cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C)s1 ZINC000798956540 1131064682 /nfs/dbraw/zinc/06/46/82/1131064682.db2.gz CKXBNIQBVGDIOO-UHFFFAOYSA-N 2 1 292.492 3.673 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC001206084745 1131080014 /nfs/dbraw/zinc/08/00/14/1131080014.db2.gz MVJIJFYLTDUSOF-GJZGRUSLSA-N 2 1 296.886 3.981 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC001206084745 1131080020 /nfs/dbraw/zinc/08/00/20/1131080020.db2.gz MVJIJFYLTDUSOF-GJZGRUSLSA-N 2 1 296.886 3.981 20 0 CHADMP c1ccc2c(c1)C[NH2+]C21CC[NH+](CCC2CCCC2)CC1 ZINC001237359378 1131092509 /nfs/dbraw/zinc/09/25/09/1131092509.db2.gz OAKDJHQVGQYPCD-UHFFFAOYSA-N 2 1 284.447 3.661 20 0 CHADMP CCCCc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)s1 ZINC001237394839 1131093499 /nfs/dbraw/zinc/09/34/99/1131093499.db2.gz WLLNIMSXEGEGCH-PBHICJAKSA-N 2 1 292.492 3.665 20 0 CHADMP CCCCc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)s1 ZINC001237394839 1131093504 /nfs/dbraw/zinc/09/35/04/1131093504.db2.gz WLLNIMSXEGEGCH-PBHICJAKSA-N 2 1 292.492 3.665 20 0 CHADMP c1cc(-c2ccccc2)oc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237405080 1131096400 /nfs/dbraw/zinc/09/64/00/1131096400.db2.gz PCYOPTDWKNCGGG-FUHWJXTLSA-N 2 1 296.414 3.521 20 0 CHADMP c1cc(-c2ccccc2)oc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237405080 1131096405 /nfs/dbraw/zinc/09/64/05/1131096405.db2.gz PCYOPTDWKNCGGG-FUHWJXTLSA-N 2 1 296.414 3.521 20 0 CHADMP c1cc(-c2ccccc2)oc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237405082 1131096600 /nfs/dbraw/zinc/09/66/00/1131096600.db2.gz PCYOPTDWKNCGGG-WMZOPIPTSA-N 2 1 296.414 3.521 20 0 CHADMP c1cc(-c2ccccc2)oc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237405082 1131096606 /nfs/dbraw/zinc/09/66/06/1131096606.db2.gz PCYOPTDWKNCGGG-WMZOPIPTSA-N 2 1 296.414 3.521 20 0 CHADMP C[N@H+]1CCC[C@]2(CCC[NH+](CC3(C)CCCCC3)C2)C1 ZINC001278149800 1131143206 /nfs/dbraw/zinc/14/32/06/1131143206.db2.gz NTNFQSRAMZEFEG-SFHVURJKSA-N 2 1 278.484 3.765 20 0 CHADMP CC[N@H+](Cc1ccc(C)cc1)Cc1cccc2c[nH+]cn21 ZINC001238111205 1131171913 /nfs/dbraw/zinc/17/19/13/1131171913.db2.gz RUEJCWXQADSLOC-UHFFFAOYSA-N 2 1 279.387 3.665 20 0 CHADMP CC[N@@H+](Cc1ccc(C)cc1)Cc1cccc2c[nH+]cn21 ZINC001238111205 1131171919 /nfs/dbraw/zinc/17/19/19/1131171919.db2.gz RUEJCWXQADSLOC-UHFFFAOYSA-N 2 1 279.387 3.665 20 0 CHADMP CC(C)Oc1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000817888381 1131185495 /nfs/dbraw/zinc/18/54/95/1131185495.db2.gz KVFCUMPKXGCIRM-RTBURBONSA-N 2 1 296.414 3.708 20 0 CHADMP CCCC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC)C1 ZINC001117550040 1131188378 /nfs/dbraw/zinc/18/83/78/1131188378.db2.gz IGXJDWMDHQMXER-HRCADAONSA-N 2 1 254.462 3.523 20 0 CHADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(SC(F)F)cc1 ZINC000817965051 1131193452 /nfs/dbraw/zinc/19/34/52/1131193452.db2.gz ODVBRYRMCUJUJP-JTQLQIEISA-N 2 1 286.391 3.533 20 0 CHADMP CC(C)CC(CC(C)C)[NH2+][C@@H](C[NH3+])Cc1ccccc1 ZINC001246267514 1131436107 /nfs/dbraw/zinc/43/61/07/1131436107.db2.gz NHJXNHOAKVALKE-GOSISDBHSA-N 2 1 276.468 3.607 20 0 CHADMP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)C1CCCC1 ZINC000823737023 1131439089 /nfs/dbraw/zinc/43/90/89/1131439089.db2.gz RIKNENXSFVRYOG-DOTOQJQBSA-N 2 1 266.473 3.667 20 0 CHADMP CC(C)CC(CC(C)C)[NH2+]C[C@@H]([NH3+])Cc1ccccc1 ZINC001246299362 1131451598 /nfs/dbraw/zinc/45/15/98/1131451598.db2.gz JLVOJSPCTHAQRW-KRWDZBQOSA-N 2 1 276.468 3.607 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2C)cc1 ZINC001138547230 1131518214 /nfs/dbraw/zinc/51/82/14/1131518214.db2.gz IEDAFOFSWKVKEN-HUUCEWRRSA-N 2 1 283.419 3.801 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C)cc1 ZINC001138547230 1131518217 /nfs/dbraw/zinc/51/82/17/1131518217.db2.gz IEDAFOFSWKVKEN-HUUCEWRRSA-N 2 1 283.419 3.801 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CC3(C2)CCCC3)cc1 ZINC001138544373 1131518344 /nfs/dbraw/zinc/51/83/44/1131518344.db2.gz HOMWBZVIPZXCOW-UHFFFAOYSA-N 2 1 281.403 3.557 20 0 CHADMP Cc1nccn1-c1ccc(C[N@@H+]2C[C@@H](C)CC23CC3)cc1 ZINC001138550348 1131519697 /nfs/dbraw/zinc/51/96/97/1131519697.db2.gz QMBPEFAPLFVXMO-AWEZNQCLSA-N 2 1 281.403 3.555 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@@H](C)CC23CC3)cc1 ZINC001138550348 1131519699 /nfs/dbraw/zinc/51/96/99/1131519699.db2.gz QMBPEFAPLFVXMO-AWEZNQCLSA-N 2 1 281.403 3.555 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@@H](C)CC23CC3)cc1 ZINC001138550348 1131519701 /nfs/dbraw/zinc/51/97/01/1131519701.db2.gz QMBPEFAPLFVXMO-AWEZNQCLSA-N 2 1 281.403 3.555 20 0 CHADMP CCc1nc(C)c([C@H](C)[N@@H+](C)CCCCCCC[NH3+])s1 ZINC000844221441 1131537139 /nfs/dbraw/zinc/53/71/39/1131537139.db2.gz MQGUCNCQDPKOGX-AWEZNQCLSA-N 2 1 297.512 3.916 20 0 CHADMP CCn1ccc2c1cccc2C[N@@H+](CC)C1CCN(C)CC1 ZINC001139153418 1131586564 /nfs/dbraw/zinc/58/65/64/1131586564.db2.gz JOUIKQYFQFNZLU-UHFFFAOYSA-N 2 1 299.462 3.577 20 0 CHADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246547881 1131595006 /nfs/dbraw/zinc/59/50/06/1131595006.db2.gz CZCLZCVNZBHHCH-XHSDSOJGSA-N 2 1 254.462 3.795 20 0 CHADMP CCCC[C@H](CC(C)C)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246556499 1131617068 /nfs/dbraw/zinc/61/70/68/1131617068.db2.gz HMDBDNJZVXJZOS-GVDBMIGSSA-N 2 1 268.489 3.898 20 0 CHADMP CCCC[C@H](CC(C)C)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246564534 1131625494 /nfs/dbraw/zinc/62/54/94/1131625494.db2.gz ZBHFRPQQOGUMNA-HZPDHXFCSA-N 2 1 272.452 3.744 20 0 CHADMP CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@](C)(F)C2)C[C@H](CC)[NH2+]1 ZINC001246570967 1131645789 /nfs/dbraw/zinc/64/57/89/1131645789.db2.gz CBRDJBVWZSFYEF-FZKCQIBNSA-N 2 1 270.436 3.510 20 0 CHADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(F)c4ccccc34)C2)C1 ZINC001139891503 1131647333 /nfs/dbraw/zinc/64/73/33/1131647333.db2.gz ATPMXHBLQRXMMP-LJQANCHMSA-N 2 1 298.405 3.507 20 0 CHADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(F)c4ccccc34)C2)C1 ZINC001139891503 1131647334 /nfs/dbraw/zinc/64/73/34/1131647334.db2.gz ATPMXHBLQRXMMP-LJQANCHMSA-N 2 1 298.405 3.507 20 0 CHADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(F)c4ccccc34)C2)C1 ZINC001139891503 1131647335 /nfs/dbraw/zinc/64/73/35/1131647335.db2.gz ATPMXHBLQRXMMP-LJQANCHMSA-N 2 1 298.405 3.507 20 0 CHADMP Cc1nccn1-c1ccccc1C[N@H+]1CCC[C@@H](F)CC1 ZINC001140022259 1131657550 /nfs/dbraw/zinc/65/75/50/1131657550.db2.gz CECVPPRTYDGIAT-MRXNPFEDSA-N 2 1 287.382 3.505 20 0 CHADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)CC1CCCC1 ZINC001140025512 1131657866 /nfs/dbraw/zinc/65/78/66/1131657866.db2.gz CCLBPDASBFALOA-UHFFFAOYSA-N 2 1 283.419 3.803 20 0 CHADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)CC1CCCC1 ZINC001140025512 1131657870 /nfs/dbraw/zinc/65/78/70/1131657870.db2.gz CCLBPDASBFALOA-UHFFFAOYSA-N 2 1 283.419 3.803 20 0 CHADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)CC(C)(C)C ZINC001140028582 1131658388 /nfs/dbraw/zinc/65/83/88/1131658388.db2.gz XTIGFWFMJLOHAE-UHFFFAOYSA-N 2 1 271.408 3.659 20 0 CHADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)CC(C)(C)C ZINC001140028582 1131658390 /nfs/dbraw/zinc/65/83/90/1131658390.db2.gz XTIGFWFMJLOHAE-UHFFFAOYSA-N 2 1 271.408 3.659 20 0 CHADMP CCC(C)(C)C1CCC([N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246584192 1131688532 /nfs/dbraw/zinc/68/85/32/1131688532.db2.gz ICIYRPDXBWEPBS-CKUJCDMFSA-N 2 1 284.463 3.743 20 0 CHADMP CCC(C)(C)C1CCC([N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246584192 1131688535 /nfs/dbraw/zinc/68/85/35/1131688535.db2.gz ICIYRPDXBWEPBS-CKUJCDMFSA-N 2 1 284.463 3.743 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000846217623 1131700817 /nfs/dbraw/zinc/70/08/17/1131700817.db2.gz GAONBLFLJUOIPT-INIZCTEOSA-N 2 1 282.378 3.621 20 0 CHADMP CCCCC[C@H](C)[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001246593118 1131707100 /nfs/dbraw/zinc/70/71/00/1131707100.db2.gz LHNYFHCDSBNLRR-JKSUJKDBSA-N 2 1 254.462 3.808 20 0 CHADMP CC(C)C[N@@H+](C)CCC[NH2+]C1CCc2ccccc2CC1 ZINC001203032974 1131714010 /nfs/dbraw/zinc/71/40/10/1131714010.db2.gz SNMYUBFFCBAJEG-UHFFFAOYSA-N 2 1 288.479 3.502 20 0 CHADMP CCC[C@H]1CCCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000834903309 1131727420 /nfs/dbraw/zinc/72/74/20/1131727420.db2.gz OAUDPZPUBWRWFH-VQTPCSAVSA-N 2 1 278.484 3.808 20 0 CHADMP CC1(C)CCC[C@@H]([N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)C1 ZINC001246633694 1131739761 /nfs/dbraw/zinc/73/97/61/1131739761.db2.gz LSDGUQHQLVLHLS-WBVHZDCISA-N 2 1 264.457 3.563 20 0 CHADMP CC1(C)CCC[C@@H]([N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)C1 ZINC001246633694 1131739756 /nfs/dbraw/zinc/73/97/56/1131739756.db2.gz LSDGUQHQLVLHLS-WBVHZDCISA-N 2 1 264.457 3.563 20 0 CHADMP CCCC[C@@H](CCC)[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246634428 1131741084 /nfs/dbraw/zinc/74/10/84/1131741084.db2.gz NQHUEORKNVLETQ-IAGOWNOFSA-N 2 1 266.473 3.953 20 0 CHADMP CCCC[C@@H](CCC)[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246634428 1131741087 /nfs/dbraw/zinc/74/10/87/1131741087.db2.gz NQHUEORKNVLETQ-IAGOWNOFSA-N 2 1 266.473 3.953 20 0 CHADMP CCCC1CCC([N@H+]2CCCC[C@]23CC[NH2+]C3)CC1 ZINC001246642680 1131763304 /nfs/dbraw/zinc/76/33/04/1131763304.db2.gz IVTDJWSGYOLWLL-OFLPRAFFSA-N 2 1 264.457 3.563 20 0 CHADMP CCCCC[C@@H](CCC)[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246643521 1131767858 /nfs/dbraw/zinc/76/78/58/1131767858.db2.gz NNUDWGDIMUHJJT-IAGOWNOFSA-N 2 1 266.473 3.953 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246643982 1131768954 /nfs/dbraw/zinc/76/89/54/1131768954.db2.gz OQEQBEJVUPLEET-YESZJQIVSA-N 2 1 266.473 3.809 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246643982 1131768959 /nfs/dbraw/zinc/76/89/59/1131768959.db2.gz OQEQBEJVUPLEET-YESZJQIVSA-N 2 1 266.473 3.809 20 0 CHADMP CC1(C)CCC[C@H]([N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC001246679089 1131780033 /nfs/dbraw/zinc/78/00/33/1131780033.db2.gz RXTKFAYSMAAHQH-ZACQAIPSSA-N 2 1 278.484 3.667 20 0 CHADMP CC[C@@H]1CC([N@@H+]2CCC[C@@H]3CCC[C@H]32)C[C@@H](CC)[NH2+]1 ZINC001246819816 1131785181 /nfs/dbraw/zinc/78/51/81/1131785181.db2.gz KGOYGVFCENPQNR-KLZNWCGWSA-N 2 1 264.457 3.560 20 0 CHADMP CC[C@@H]1CC([N@H+]2CCC[C@@H]3CCC[C@H]32)C[C@@H](CC)[NH2+]1 ZINC001246819816 1131785184 /nfs/dbraw/zinc/78/51/84/1131785184.db2.gz KGOYGVFCENPQNR-KLZNWCGWSA-N 2 1 264.457 3.560 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@H+](C)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246908732 1131807510 /nfs/dbraw/zinc/80/75/10/1131807510.db2.gz MHOYLBKQIZKIRB-XJFOESAGSA-N 2 1 280.843 3.862 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@@H+](C)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246908732 1131807519 /nfs/dbraw/zinc/80/75/19/1131807519.db2.gz MHOYLBKQIZKIRB-XJFOESAGSA-N 2 1 280.843 3.862 20 0 CHADMP CC[C@@H]1CC([N@H+]2CCCC3(CCC3)C2)C[C@@H](CC)[NH2+]1 ZINC001246938694 1131822640 /nfs/dbraw/zinc/82/26/40/1131822640.db2.gz FVWSENCFPNHMED-HUUCEWRRSA-N 2 1 264.457 3.562 20 0 CHADMP CCCC[C@H]1C[C@H]([N@@H+](C)[C@H]2CC[C@H](C)CC2)CC[NH2+]1 ZINC001246995022 1131838464 /nfs/dbraw/zinc/83/84/64/1131838464.db2.gz FELLKIDXSUHQBZ-LUKYLMHMSA-N 2 1 266.473 3.808 20 0 CHADMP CC(C)Cc1ccc(C[NH+]2CCC3(CCC[NH2+]3)CC2)cc1 ZINC001228557199 1131909661 /nfs/dbraw/zinc/90/96/61/1131909661.db2.gz WDKVGUZQPUIEKL-UHFFFAOYSA-N 2 1 286.463 3.603 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC001140802642 1131926843 /nfs/dbraw/zinc/92/68/43/1131926843.db2.gz BRWOOOSKIDDXCH-SFHVURJKSA-N 2 1 292.386 3.685 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCCC[C@H]1c1cccnc1 ZINC001140802642 1131926849 /nfs/dbraw/zinc/92/68/49/1131926849.db2.gz BRWOOOSKIDDXCH-SFHVURJKSA-N 2 1 292.386 3.685 20 0 CHADMP C[N@H+](C/C=C/c1ccccc1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140805027 1131930384 /nfs/dbraw/zinc/93/03/84/1131930384.db2.gz OTXCETBRZUNIOB-VMPITWQZSA-N 2 1 277.371 3.708 20 0 CHADMP C[N@@H+](C/C=C/c1ccccc1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140805027 1131930389 /nfs/dbraw/zinc/93/03/89/1131930389.db2.gz OTXCETBRZUNIOB-VMPITWQZSA-N 2 1 277.371 3.708 20 0 CHADMP C[N@H+]1CC[C@]2(CCN(Cc3cccc(C(C)(C)C)c3)C2)C1 ZINC001141106302 1132020401 /nfs/dbraw/zinc/02/04/01/1132020401.db2.gz WTQOWRKVURYETJ-IBGZPJMESA-N 2 1 286.463 3.512 20 0 CHADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc(C(C)(C)C)c3)C2)C1 ZINC001141106302 1132020409 /nfs/dbraw/zinc/02/04/09/1132020409.db2.gz WTQOWRKVURYETJ-IBGZPJMESA-N 2 1 286.463 3.512 20 0 CHADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc(C(C)(C)C)c3)C2)C1 ZINC001141106302 1132020415 /nfs/dbraw/zinc/02/04/15/1132020415.db2.gz WTQOWRKVURYETJ-IBGZPJMESA-N 2 1 286.463 3.512 20 0 CHADMP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@@H]3CCC[C@@H]3C2)CC1(C)C ZINC001171632283 1132063027 /nfs/dbraw/zinc/06/30/27/1132063027.db2.gz YQAOHALLAVTBIW-LSDHHAIUSA-N 2 1 278.484 3.760 20 0 CHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@H]3CCC[C@@H]3C2)CC1(C)C ZINC001171632283 1132063032 /nfs/dbraw/zinc/06/30/32/1132063032.db2.gz YQAOHALLAVTBIW-LSDHHAIUSA-N 2 1 278.484 3.760 20 0 CHADMP C[N@@H+](CC1CC(F)(F)C1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639239 1132080752 /nfs/dbraw/zinc/08/07/52/1132080752.db2.gz ASMQKSBIRPHFRN-UHFFFAOYSA-N 2 1 288.426 3.615 20 0 CHADMP C[C@@H]1CC[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171975470 1132116885 /nfs/dbraw/zinc/11/68/85/1132116885.db2.gz DCWFEUXTHBFQFX-NVXWUHKLSA-N 2 1 272.436 3.524 20 0 CHADMP C[C@@H]1CC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171975470 1132116892 /nfs/dbraw/zinc/11/68/92/1132116892.db2.gz DCWFEUXTHBFQFX-NVXWUHKLSA-N 2 1 272.436 3.524 20 0 CHADMP C[C@@H]1CC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975470 1132116896 /nfs/dbraw/zinc/11/68/96/1132116896.db2.gz DCWFEUXTHBFQFX-NVXWUHKLSA-N 2 1 272.436 3.524 20 0 CHADMP C[C@@H]1CC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975470 1132116903 /nfs/dbraw/zinc/11/69/03/1132116903.db2.gz DCWFEUXTHBFQFX-NVXWUHKLSA-N 2 1 272.436 3.524 20 0 CHADMP CC(C)[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977461 1132120321 /nfs/dbraw/zinc/12/03/21/1132120321.db2.gz RLVYZSOUXGUBIY-KRWDZBQOSA-N 2 1 274.452 3.770 20 0 CHADMP CC(C)[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977461 1132120324 /nfs/dbraw/zinc/12/03/24/1132120324.db2.gz RLVYZSOUXGUBIY-KRWDZBQOSA-N 2 1 274.452 3.770 20 0 CHADMP CC(C)[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977461 1132120327 /nfs/dbraw/zinc/12/03/27/1132120327.db2.gz RLVYZSOUXGUBIY-KRWDZBQOSA-N 2 1 274.452 3.770 20 0 CHADMP CC(C)[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977461 1132120329 /nfs/dbraw/zinc/12/03/29/1132120329.db2.gz RLVYZSOUXGUBIY-KRWDZBQOSA-N 2 1 274.452 3.770 20 0 CHADMP CC1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172078807 1132122987 /nfs/dbraw/zinc/12/29/87/1132122987.db2.gz IYQKJVOBRWCDHO-REPLKXPHSA-N 2 1 284.447 3.524 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccccc1C(F)F)C2 ZINC001172099015 1132123905 /nfs/dbraw/zinc/12/39/05/1132123905.db2.gz HVDBEOZUWKDFFU-QDMKHBRRSA-N 2 1 294.389 3.729 20 0 CHADMP CC1CC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172067302 1132125288 /nfs/dbraw/zinc/12/52/88/1132125288.db2.gz MKSYAHQRAYAVQL-KTZCGAGPSA-N 2 1 298.474 3.960 20 0 CHADMP C[C@H]([NH3+])c1ccc2c(ccn2[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172100960 1132125417 /nfs/dbraw/zinc/12/54/17/1132125417.db2.gz VDJQXJGWCGDXLW-RUGDWHBFSA-N 2 1 297.446 3.849 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H]3CCCC[C@@H]31)C2 ZINC001172127036 1132125954 /nfs/dbraw/zinc/12/59/54/1132125954.db2.gz GNFDJNPAYOPJTF-SFFUCWETSA-N 2 1 276.468 3.656 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H]3CCCC[C@@H]31)C2 ZINC001172127036 1132125958 /nfs/dbraw/zinc/12/59/58/1132125958.db2.gz GNFDJNPAYOPJTF-SFFUCWETSA-N 2 1 276.468 3.656 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@H]3CCCC[C@@H]31)C2 ZINC001172127036 1132125963 /nfs/dbraw/zinc/12/59/63/1132125963.db2.gz GNFDJNPAYOPJTF-SFFUCWETSA-N 2 1 276.468 3.656 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H]3CCCC[C@@H]31)C2 ZINC001172127036 1132125965 /nfs/dbraw/zinc/12/59/65/1132125965.db2.gz GNFDJNPAYOPJTF-SFFUCWETSA-N 2 1 276.468 3.656 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@H](C3CCCCC3)C1)C2 ZINC001172127608 1132126262 /nfs/dbraw/zinc/12/62/62/1132126262.db2.gz JVSRBAMZAZRLMN-AKHDSKFASA-N 2 1 290.495 3.904 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@H](C3CCCCC3)C1)C2 ZINC001172127608 1132126263 /nfs/dbraw/zinc/12/62/63/1132126263.db2.gz JVSRBAMZAZRLMN-AKHDSKFASA-N 2 1 290.495 3.904 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@@H](C3CCCCC3)C1)C2 ZINC001172127608 1132126265 /nfs/dbraw/zinc/12/62/65/1132126265.db2.gz JVSRBAMZAZRLMN-AKHDSKFASA-N 2 1 290.495 3.904 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@@H](C3CCCCC3)C1)C2 ZINC001172127608 1132126268 /nfs/dbraw/zinc/12/62/68/1132126268.db2.gz JVSRBAMZAZRLMN-AKHDSKFASA-N 2 1 290.495 3.904 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CC[C@@H](F)C3)CC1)C2 ZINC001172129051 1132127672 /nfs/dbraw/zinc/12/76/72/1132127672.db2.gz VUTYLZNIYAFSHU-WCXIOVBPSA-N 2 1 294.458 3.606 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CC[C@@H](F)C3)CC1)C2 ZINC001172129051 1132127673 /nfs/dbraw/zinc/12/76/73/1132127673.db2.gz VUTYLZNIYAFSHU-WCXIOVBPSA-N 2 1 294.458 3.606 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@H]3CCCC[C@H]31)C2 ZINC001172105392 1132129346 /nfs/dbraw/zinc/12/93/46/1132129346.db2.gz IAHUSQCQCDGAKR-RPVYPSMYSA-N 2 1 290.495 3.950 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@H]3CCCC[C@H]31)C2 ZINC001172105392 1132129348 /nfs/dbraw/zinc/12/93/48/1132129348.db2.gz IAHUSQCQCDGAKR-RPVYPSMYSA-N 2 1 290.495 3.950 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC(=[NH2+])C1CCCCCC1)C2 ZINC001172106536 1132129938 /nfs/dbraw/zinc/12/99/38/1132129938.db2.gz QAFFNEXSUUWRAR-MUJYYYPQSA-N 2 1 277.456 3.539 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172107378 1132130686 /nfs/dbraw/zinc/13/06/86/1132130686.db2.gz WHGFSTCPJNZJOM-VXIBKDFQSA-N 2 1 284.447 3.587 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172107378 1132130690 /nfs/dbraw/zinc/13/06/90/1132130690.db2.gz WHGFSTCPJNZJOM-VXIBKDFQSA-N 2 1 284.447 3.587 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(c3ccccc3)CCC1)C2 ZINC001172118792 1132134280 /nfs/dbraw/zinc/13/42/80/1132134280.db2.gz SVTVGMPICYRTSY-BCDXTJNWSA-N 2 1 284.447 3.671 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(c3ccccc3)CCC1)C2 ZINC001172118792 1132134284 /nfs/dbraw/zinc/13/42/84/1132134284.db2.gz SVTVGMPICYRTSY-BCDXTJNWSA-N 2 1 284.447 3.671 20 0 CHADMP CCC[N@H+]([C@@H](C)CC)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172114218 1132134429 /nfs/dbraw/zinc/13/44/29/1132134429.db2.gz PKJSXDJKWYWMQE-JONQDZQNSA-N 2 1 252.446 3.512 20 0 CHADMP CCC[N@@H+]([C@@H](C)CC)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172114218 1132134432 /nfs/dbraw/zinc/13/44/32/1132134432.db2.gz PKJSXDJKWYWMQE-JONQDZQNSA-N 2 1 252.446 3.512 20 0 CHADMP CCC[NH+]([C@@H](C)CC)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172114218 1132134436 /nfs/dbraw/zinc/13/44/36/1132134436.db2.gz PKJSXDJKWYWMQE-JONQDZQNSA-N 2 1 252.446 3.512 20 0 CHADMP CCC[NH+]([C@@H](C)CC)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172114218 1132134439 /nfs/dbraw/zinc/13/44/39/1132134439.db2.gz PKJSXDJKWYWMQE-JONQDZQNSA-N 2 1 252.446 3.512 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]3CCCC[C@@H]31)C2 ZINC001172123509 1132135548 /nfs/dbraw/zinc/13/55/48/1132135548.db2.gz GNFDJNPAYOPJTF-ZBRFXRBCSA-N 2 1 276.468 3.656 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]3CCCC[C@@H]31)C2 ZINC001172123509 1132135552 /nfs/dbraw/zinc/13/55/52/1132135552.db2.gz GNFDJNPAYOPJTF-ZBRFXRBCSA-N 2 1 276.468 3.656 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]3CCCC[C@@H]31)C2 ZINC001172123509 1132135555 /nfs/dbraw/zinc/13/55/55/1132135555.db2.gz GNFDJNPAYOPJTF-ZBRFXRBCSA-N 2 1 276.468 3.656 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H]3CCCC[C@@H]31)C2 ZINC001172123509 1132135559 /nfs/dbraw/zinc/13/55/59/1132135559.db2.gz GNFDJNPAYOPJTF-ZBRFXRBCSA-N 2 1 276.468 3.656 20 0 CHADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1csc2ccccc12 ZINC000838928616 1132159813 /nfs/dbraw/zinc/15/98/13/1132159813.db2.gz QDPPQMCYUDYKQT-GFCCVEGCSA-N 2 1 285.416 3.528 20 0 CHADMP C1CC1[NH+]1CCC([NH2+]C(C2CCCC2)C2CCCC2)CC1 ZINC000838958941 1132160637 /nfs/dbraw/zinc/16/06/37/1132160637.db2.gz HGEAMJSPZSNMSG-UHFFFAOYSA-N 2 1 290.495 3.952 20 0 CHADMP CCCCCC[C@@H](CCC)n1c[nH+]cc1CC[NH3+] ZINC001172379067 1132169693 /nfs/dbraw/zinc/16/96/93/1132169693.db2.gz QKMAMHWQVDNPOI-CQSZACIVSA-N 2 1 251.418 3.696 20 0 CHADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001172358134 1132187050 /nfs/dbraw/zinc/18/70/50/1132187050.db2.gz DONTXSRYFVDXGB-ARFHVFGLSA-N 2 1 254.462 3.523 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001172367092 1132193134 /nfs/dbraw/zinc/19/31/34/1132193134.db2.gz FIMUSRPDBIQGNQ-QBPKDAKJSA-N 2 1 278.484 3.808 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001172367092 1132193138 /nfs/dbraw/zinc/19/31/38/1132193138.db2.gz FIMUSRPDBIQGNQ-QBPKDAKJSA-N 2 1 278.484 3.808 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2cc(Cl)ccc12 ZINC001141591234 1132193650 /nfs/dbraw/zinc/19/36/50/1132193650.db2.gz VTBYPGMXJIEPEV-UHFFFAOYSA-N 2 1 293.842 3.595 20 0 CHADMP CC[C@H](CC(C)C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172383913 1132210633 /nfs/dbraw/zinc/21/06/33/1132210633.db2.gz CLFSFFLWLIPQRC-RBUKOAKNSA-N 2 1 288.479 3.923 20 0 CHADMP CC[C@@H](CC(C)C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172383912 1132210674 /nfs/dbraw/zinc/21/06/74/1132210674.db2.gz CLFSFFLWLIPQRC-OALUTQOASA-N 2 1 288.479 3.923 20 0 CHADMP C[NH+](C)CCC[N@H+](C)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001141734878 1132244764 /nfs/dbraw/zinc/24/47/64/1132244764.db2.gz MNMOZPOUNYTLQN-UHFFFAOYSA-N 2 1 294.442 3.641 20 0 CHADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001141734878 1132244769 /nfs/dbraw/zinc/24/47/69/1132244769.db2.gz MNMOZPOUNYTLQN-UHFFFAOYSA-N 2 1 294.442 3.641 20 0 CHADMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172531851 1132245369 /nfs/dbraw/zinc/24/53/69/1132245369.db2.gz BPGVDPNUNNRIFN-QZTJIDSGSA-N 2 1 274.452 3.772 20 0 CHADMP c1[nH+]cn([C@H]2CC[C@@H](c3ccccc3)C2)c1C1CC[NH2+]CC1 ZINC001172570477 1132272775 /nfs/dbraw/zinc/27/27/75/1132272775.db2.gz XKOQICUDINZOKW-MSOLQXFVSA-N 2 1 295.430 3.859 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172569826 1132272981 /nfs/dbraw/zinc/27/29/81/1132272981.db2.gz VKILQHVKWWAFSK-MOPGFXCFSA-N 2 1 288.479 3.986 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172538783 1132276392 /nfs/dbraw/zinc/27/63/92/1132276392.db2.gz SUFIKTYJABAXLK-MSOLQXFVSA-N 2 1 283.419 3.508 20 0 CHADMP C1C[NH+](C2CC[NH+](C3CCC4(CCCC4)CC3)CC2)C1 ZINC001172730376 1132303301 /nfs/dbraw/zinc/30/33/01/1132303301.db2.gz FSVLOPGARHYACA-UHFFFAOYSA-N 2 1 276.468 3.660 20 0 CHADMP Cc1c(C)c(C)c(C[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1C ZINC001231493139 1132304372 /nfs/dbraw/zinc/30/43/72/1132304372.db2.gz RVPGZSUIJWVDSW-UHFFFAOYSA-N 2 1 288.479 3.755 20 0 CHADMP Cc1c(C)c(C)c(C[N@H+](C)C2CC[NH+](C)CC2)c(C)c1C ZINC001231493139 1132304378 /nfs/dbraw/zinc/30/43/78/1132304378.db2.gz RVPGZSUIJWVDSW-UHFFFAOYSA-N 2 1 288.479 3.755 20 0 CHADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172708478 1132308355 /nfs/dbraw/zinc/30/83/55/1132308355.db2.gz GZASJWKEDMJSFZ-QGZVFWFLSA-N 2 1 294.870 3.519 20 0 CHADMP Cc1ccc2c(c1)C[C@@H]([NH2+]CC[NH+](C(C)C)C(C)C)CC2 ZINC001172824492 1132321818 /nfs/dbraw/zinc/32/18/18/1132321818.db2.gz YZYQYZROGLGRAF-IBGZPJMESA-N 2 1 288.479 3.561 20 0 CHADMP CCCOC1CCC([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CC1 ZINC001173095709 1132386187 /nfs/dbraw/zinc/38/61/87/1132386187.db2.gz DZYRMSZXCJCNND-AOCRQIFASA-N 2 1 296.499 3.565 20 0 CHADMP CC[NH+](CC)C1CCC([N@@H+](C)CC2CC(F)(F)C2)CC1 ZINC001173114785 1132393584 /nfs/dbraw/zinc/39/35/84/1132393584.db2.gz SQSYTMWGKNWMPT-UHFFFAOYSA-N 2 1 288.426 3.617 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC001173112141 1132393837 /nfs/dbraw/zinc/39/38/37/1132393837.db2.gz QZZZTGQEPPLMII-XNIRIUNOSA-N 2 1 266.473 3.760 20 0 CHADMP CCC[N@@H+](C1CCOCC1)C1CCC([NH+](CC)CC)CC1 ZINC001173113044 1132393858 /nfs/dbraw/zinc/39/38/58/1132393858.db2.gz HDDFTFUSFJXFJX-UHFFFAOYSA-N 2 1 296.499 3.530 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCCC3(CCC3)C2)CC1 ZINC001173113863 1132393947 /nfs/dbraw/zinc/39/39/47/1132393947.db2.gz NGIUIHQGHBFYKD-UHFFFAOYSA-N 2 1 278.484 3.906 20 0 CHADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001232013874 1132410138 /nfs/dbraw/zinc/41/01/38/1132410138.db2.gz DYCUEBCFIRZWAC-MRXNPFEDSA-N 2 1 291.398 3.943 20 0 CHADMP CCCC[C@H](CC(C)C)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001173259316 1132427405 /nfs/dbraw/zinc/42/74/05/1132427405.db2.gz HHOFGJXUMRVIHY-QGZVFWFLSA-N 2 1 266.473 3.761 20 0 CHADMP CC[C@@H]1CC[C@@H]([N@@H+](CCC[NH3+])C2CCCCC2)C1 ZINC001173265663 1132431831 /nfs/dbraw/zinc/43/18/31/1132431831.db2.gz UUMARGQPWSJHOW-GDBMZVCRSA-N 2 1 252.446 3.549 20 0 CHADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H]1c1ccccc1 ZINC000842471732 1132433560 /nfs/dbraw/zinc/43/35/60/1132433560.db2.gz VXZNIHMAGKTFDY-KRWDZBQOSA-N 2 1 260.425 3.733 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)[C@H]2CC[C@H](CC)C2)CC1 ZINC001173281617 1132454426 /nfs/dbraw/zinc/45/44/26/1132454426.db2.gz AHPRVGCVNSUKQF-RDJZCZTQSA-N 2 1 266.473 3.761 20 0 CHADMP CC[C@H]1CC[C@H](N(c2[nH+]cccc2C)C2CC[NH2+]CC2)C1 ZINC001173282013 1132454844 /nfs/dbraw/zinc/45/48/44/1132454844.db2.gz CIVGYXDWPLSBSK-RDJZCZTQSA-N 2 1 287.451 3.527 20 0 CHADMP CC[C@@H]1CC[C@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001173283407 1132454925 /nfs/dbraw/zinc/45/49/25/1132454925.db2.gz VCYZYWBIQYWTDV-AEFFLSMTSA-N 2 1 290.495 3.906 20 0 CHADMP CC(C)[C@@H](C[N@@H+](C)C1CCC([NH3+])CC1)c1ccccc1 ZINC000843055078 1132494346 /nfs/dbraw/zinc/49/43/46/1132494346.db2.gz PRABAQHAHYAQBY-DAWZGUTISA-N 2 1 274.452 3.628 20 0 CHADMP C[N@@H+](Cc1c(Cl)oc2ccccc21)C1CCC([NH3+])CC1 ZINC000843055990 1132494753 /nfs/dbraw/zinc/49/47/53/1132494753.db2.gz VDZUVFANEVUVHE-UHFFFAOYSA-N 2 1 292.810 3.788 20 0 CHADMP C[C@H](C[N@@H+](C)C1CCC([NH3+])CC1)c1cccc(Cl)c1 ZINC000843054743 1132494948 /nfs/dbraw/zinc/49/49/48/1132494948.db2.gz FAMBZOUSPNHOBZ-UWTIGNOOSA-N 2 1 280.843 3.645 20 0 CHADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(Cc2ccccc2)cc1 ZINC001233330056 1132602069 /nfs/dbraw/zinc/60/20/69/1132602069.db2.gz TXZODSNEKLFCCJ-UHFFFAOYSA-N 2 1 296.458 3.661 20 0 CHADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(Cc2ccccc2)cc1 ZINC001233330056 1132602071 /nfs/dbraw/zinc/60/20/71/1132602071.db2.gz TXZODSNEKLFCCJ-UHFFFAOYSA-N 2 1 296.458 3.661 20 0 CHADMP Cc1ccc(C)c(Nc2ccccc2C[NH+](C)C)[nH+]1 ZINC001173930326 1132643603 /nfs/dbraw/zinc/64/36/03/1132643603.db2.gz UGQWJACQXDIULK-UHFFFAOYSA-N 2 1 255.365 3.504 20 0 CHADMP C[C@H]1CCCC[N@@H+]1CCCNc1ccc2c([nH+]1)CCCC2 ZINC001156929493 1132716352 /nfs/dbraw/zinc/71/63/52/1132716352.db2.gz WWZLANUJBCCMNW-HNNXBMFYSA-N 2 1 287.451 3.637 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCNc1ccc2c([nH+]1)CCCC2 ZINC001156929493 1132716357 /nfs/dbraw/zinc/71/63/57/1132716357.db2.gz WWZLANUJBCCMNW-HNNXBMFYSA-N 2 1 287.451 3.637 20 0 CHADMP Cc1ccc2c(C)cc(N3CCC[C@@](C)(C[NH3+])C3)[nH+]c2c1C ZINC001158682266 1132788398 /nfs/dbraw/zinc/78/83/98/1132788398.db2.gz CDFNJNWRZZLHPQ-IBGZPJMESA-N 2 1 297.446 3.725 20 0 CHADMP Cc1cccc(Nc2ccc(C3CC[NH2+]CC3)cc2)[nH+]1 ZINC001159105299 1132807173 /nfs/dbraw/zinc/80/71/73/1132807173.db2.gz RPCZHVSEYJZFFG-UHFFFAOYSA-N 2 1 267.376 3.601 20 0 CHADMP Cc1ccc(C)c(Nc2ccc(C3CC[NH2+]CC3)cc2)[nH+]1 ZINC001159229540 1132817559 /nfs/dbraw/zinc/81/75/59/1132817559.db2.gz CGIHVPXKTMSPPG-UHFFFAOYSA-N 2 1 281.403 3.909 20 0 CHADMP Cc1c[nH+]c(Nc2ccc([C@@H]3CCC[NH2+]3)cc2)c(C)c1 ZINC001159234145 1132818030 /nfs/dbraw/zinc/81/80/30/1132818030.db2.gz FYFZXXDGUJWURT-INIZCTEOSA-N 2 1 267.376 3.867 20 0 CHADMP c1cc2cc[nH+]cc2c(Nc2ccc3c(c2)C[NH2+]C3)c1 ZINC001159471030 1132851867 /nfs/dbraw/zinc/85/18/67/1132851867.db2.gz QHHUGXFVPCHIOP-UHFFFAOYSA-N 2 1 261.328 3.582 20 0 CHADMP c1cc2cc[nH+]cc2c(Nc2cccc3c2CC[NH2+]C3)c1 ZINC001159547479 1132861059 /nfs/dbraw/zinc/86/10/59/1132861059.db2.gz BFVWPTVVULKSLL-UHFFFAOYSA-N 2 1 275.355 3.624 20 0 CHADMP Cc1cc([NH+]2CCCCC2)ccc1NC1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001159818362 1132912059 /nfs/dbraw/zinc/91/20/59/1132912059.db2.gz NNLJWYQIHKOCLR-CVEARBPZSA-N 2 1 297.446 3.805 20 0 CHADMP Cn1c[nH+]c2cccc(Nc3ccc([C@H]4CCC[NH2+]4)cc3)c21 ZINC001159850936 1132916115 /nfs/dbraw/zinc/91/61/15/1132916115.db2.gz QFCNYHXNHZGLDZ-OAHLLOKOSA-N 2 1 292.386 3.741 20 0 CHADMP Cc1nc(N(C)C)cc(NCC[PH+](C(C)C)C(C)C)[nH+]1 ZINC001162358304 1133071604 /nfs/dbraw/zinc/07/16/04/1133071604.db2.gz MESXBZBYSGUWRE-UHFFFAOYSA-N 2 1 296.399 3.562 20 0 CHADMP Cc1cc(C)c2[nH+]c(N[C@H]3CCC[C@H]([NH3+])C3)cc(C)c2c1 ZINC001162395836 1133074455 /nfs/dbraw/zinc/07/44/55/1133074455.db2.gz VZSAPTOZNNXNAJ-GJZGRUSLSA-N 2 1 283.419 3.842 20 0 CHADMP Cc1ccc2c(C)cc(NC[C@H]3CCC[NH2+]C[C@@H]3C)[nH+]c2c1 ZINC001162462342 1133078856 /nfs/dbraw/zinc/07/88/56/1133078856.db2.gz UZCOUNZBACBXBJ-JKSUJKDBSA-N 2 1 297.446 3.899 20 0 CHADMP Cc1cc(C)c2[nH+]c(NC[C@H]3C[NH2+][C@H](C)C3)cc(C)c2c1 ZINC001162553184 1133091485 /nfs/dbraw/zinc/09/14/85/1133091485.db2.gz XJRWTHALYNFEQA-HUUCEWRRSA-N 2 1 283.419 3.570 20 0 CHADMP COC(=[NH2+])c1cccc(-n2ccc3cc([C@H](C)[NH3+])ccc32)c1 ZINC001162908975 1133121150 /nfs/dbraw/zinc/12/11/50/1133121150.db2.gz TYHALSOIYCEJKV-LBPRGKRZSA-N 2 1 293.370 3.622 20 0 CHADMP CC(C)c1cccc(NCc2cccc(C[NH+](C)C)c2)[nH+]1 ZINC001163993999 1133191056 /nfs/dbraw/zinc/19/10/56/1133191056.db2.gz QYNHWBAGKYFUTA-UHFFFAOYSA-N 2 1 283.419 3.879 20 0 CHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C ZINC001206715466 1133266083 /nfs/dbraw/zinc/26/60/83/1133266083.db2.gz RPHIWQYKYWPTJG-CABCVRRESA-N 2 1 266.473 3.665 20 0 CHADMP C[C@H](C[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)C(C)(C)C ZINC001206715466 1133266089 /nfs/dbraw/zinc/26/60/89/1133266089.db2.gz RPHIWQYKYWPTJG-CABCVRRESA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cccc(Cl)c2)CC1 ZINC001203800232 1133370073 /nfs/dbraw/zinc/37/00/73/1133370073.db2.gz MWQXSHGWJLZWJS-UHFFFAOYSA-N 2 1 294.870 3.892 20 0 CHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2c[nH]c3ccccc23)CC1 ZINC001204043623 1133404070 /nfs/dbraw/zinc/40/40/70/1133404070.db2.gz ALWUSBNRDWRCMP-UHFFFAOYSA-N 2 1 299.462 3.720 20 0 CHADMP CC[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC001204549958 1133461369 /nfs/dbraw/zinc/46/13/69/1133461369.db2.gz DHVHGCWIWLGDPA-KURKYZTESA-N 2 1 280.500 3.867 20 0 CHADMP CCC[N@@H+](CCC[NH2+]C1CCCCC1)[C@H](C)CC ZINC001204630221 1133469212 /nfs/dbraw/zinc/46/92/12/1133469212.db2.gz OHCCBEUOVRZEEG-OAHLLOKOSA-N 2 1 254.462 3.809 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204734719 1133479663 /nfs/dbraw/zinc/47/96/63/1133479663.db2.gz CSWGAVFAXMLICM-UHFFFAOYSA-N 2 1 292.854 3.614 20 0 CHADMP c1ccc(C2CC2)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204734971 1133479731 /nfs/dbraw/zinc/47/97/31/1133479731.db2.gz HUAXUDMSPOESNA-UHFFFAOYSA-N 2 1 284.447 3.530 20 0 CHADMP CCCCCCc1ccc(C[N@@H+]2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)s1 ZINC001204918615 1133498979 /nfs/dbraw/zinc/49/89/79/1133498979.db2.gz IQWNXWIKJLECRD-OSYLJGHBSA-N 2 1 292.492 3.507 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3[C@@H](C)CC[C@H]3C[NH3+])cc2)cc1 ZINC001205076887 1133524069 /nfs/dbraw/zinc/52/40/69/1133524069.db2.gz YKQBBKNMFPALSB-JXFKEZNVSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3[C@@H](C)CC[C@H]3C[NH3+])cc2)cc1 ZINC001205076887 1133524075 /nfs/dbraw/zinc/52/40/75/1133524075.db2.gz YKQBBKNMFPALSB-JXFKEZNVSA-N 2 1 294.442 3.974 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205093470 1133527933 /nfs/dbraw/zinc/52/79/33/1133527933.db2.gz AWGVOTBFJYRDIW-QGZUEGPWSA-N 2 1 252.446 3.716 20 0 CHADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc3oc4ccccc4c3c2)CC1 ZINC001205101230 1133530333 /nfs/dbraw/zinc/53/03/33/1133530333.db2.gz BUAOKXROHNIQBK-OAHLLOKOSA-N 2 1 294.398 3.899 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CCC[C@H]([NH3+])CC3)cc2)o1 ZINC001205110309 1133531309 /nfs/dbraw/zinc/53/13/09/1133531309.db2.gz RSXFNSMGYNQCOK-KRWDZBQOSA-N 2 1 284.403 3.568 20 0 CHADMP Cc1csc2sc(C[N@@H+]3C[C@H](C)[C@H](C[NH3+])C3)c(C)c12 ZINC001205145761 1133536403 /nfs/dbraw/zinc/53/64/03/1133536403.db2.gz FWNKTEMSJYLZGC-JOYOIKCWSA-N 2 1 294.489 3.606 20 0 CHADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CCCCC2)Cc2ccccc21 ZINC001205164680 1133539404 /nfs/dbraw/zinc/53/94/04/1133539404.db2.gz MYEDJLPCPOPKKY-MRXNPFEDSA-N 2 1 286.463 3.918 20 0 CHADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CCCCC2)Cc2ccccc21 ZINC001205164680 1133539408 /nfs/dbraw/zinc/53/94/08/1133539408.db2.gz MYEDJLPCPOPKKY-MRXNPFEDSA-N 2 1 286.463 3.918 20 0 CHADMP C[C@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)Cc2ccccc21 ZINC001205164439 1133539692 /nfs/dbraw/zinc/53/96/92/1133539692.db2.gz GBOHWPMDKIWUCB-ZDUSSCGKSA-N 2 1 298.455 3.513 20 0 CHADMP c1ccc([C@H]2CCCC[N@@H+]2CCC2CC[NH2+]CC2)cc1 ZINC001205164900 1133540957 /nfs/dbraw/zinc/54/09/57/1133540957.db2.gz VEDMCGPIZZBVDN-GOSISDBHSA-N 2 1 272.436 3.603 20 0 CHADMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cccc2c3ccccc3oc21 ZINC001205182774 1133542009 /nfs/dbraw/zinc/54/20/09/1133542009.db2.gz KTERWIRYGIREKD-MLGOLLRUSA-N 2 1 280.371 3.508 20 0 CHADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cccc2c3ccccc3oc21 ZINC001205182774 1133542011 /nfs/dbraw/zinc/54/20/11/1133542011.db2.gz KTERWIRYGIREKD-MLGOLLRUSA-N 2 1 280.371 3.508 20 0 CHADMP C[C@]1([NH3+])CCC[N@@H+](Cc2c[nH]c3ccc(Cl)cc23)CC1 ZINC001205266659 1133553003 /nfs/dbraw/zinc/55/30/03/1133553003.db2.gz VMKSFDPUERYPGN-INIZCTEOSA-N 2 1 291.826 3.525 20 0 CHADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc3ccsc3c2)CC1 ZINC001205281522 1133554484 /nfs/dbraw/zinc/55/44/84/1133554484.db2.gz UIXATDJABFCJAS-MRXNPFEDSA-N 2 1 274.433 3.605 20 0 CHADMP Cc1c(C)c(C)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(C)c1C ZINC001205281188 1133554916 /nfs/dbraw/zinc/55/49/16/1133554916.db2.gz QYMOSHMPWKJOLL-LJQANCHMSA-N 2 1 288.479 3.932 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2ccccc2-c2ccccc2)C[C@H]1C[NH3+] ZINC001205304289 1133556759 /nfs/dbraw/zinc/55/67/59/1133556759.db2.gz NOFZICZJGRHSNA-QFBILLFUSA-N 2 1 294.442 3.770 20 0 CHADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(-c2ccccc2)s1 ZINC001205325987 1133560902 /nfs/dbraw/zinc/56/09/02/1133560902.db2.gz SOWWJYJARNWLHS-AWEZNQCLSA-N 2 1 286.444 3.599 20 0 CHADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc(-c2ccccc2)s1 ZINC001205325987 1133560906 /nfs/dbraw/zinc/56/09/06/1133560906.db2.gz SOWWJYJARNWLHS-AWEZNQCLSA-N 2 1 286.444 3.599 20 0 CHADMP CC1=CC[C@@H](CC[N@H+]2CCC[C@](F)(C[NH3+])CC2)C1(C)C ZINC001205536762 1133585796 /nfs/dbraw/zinc/58/57/96/1133585796.db2.gz ATEIRVWRQCOSBO-DOTOQJQBSA-N 2 1 282.447 3.522 20 0 CHADMP C[C@H](CC[N@H+]1CCC[C@@](F)(C[NH3+])CC1)CC(C)(C)C ZINC001205545766 1133587652 /nfs/dbraw/zinc/58/76/52/1133587652.db2.gz MYDZFPZXXJVDAE-ZBFHGGJFSA-N 2 1 272.452 3.602 20 0 CHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc3[nH]ccc3c2)CC1 ZINC001205593722 1133592835 /nfs/dbraw/zinc/59/28/35/1133592835.db2.gz INTJGBSWXHKNDW-UHFFFAOYSA-N 2 1 299.462 3.720 20 0 CHADMP CCc1cccc2c(C[N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)CC3)c[nH]c21 ZINC001205615776 1133594615 /nfs/dbraw/zinc/59/46/15/1133594615.db2.gz AYGJUIDWFPKXHM-HOCLYGCPSA-N 2 1 299.462 3.537 20 0 CHADMP Cc1ccc(Cl)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1F ZINC001205618929 1133596348 /nfs/dbraw/zinc/59/63/48/1133596348.db2.gz ZGRIFBCSPOAFGM-WCQYABFASA-N 2 1 298.833 3.594 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2ccc(C3CCC3)cc2)CC[C@H]1C[NH3+] ZINC001205651217 1133599762 /nfs/dbraw/zinc/59/97/62/1133599762.db2.gz BDPNUJFPQKZDNL-BEFAXECRSA-N 2 1 286.463 3.761 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(C)c1Cl ZINC001205665644 1133599904 /nfs/dbraw/zinc/59/99/04/1133599904.db2.gz SZAPOBPRLIVRCI-DOMZBBRYSA-N 2 1 294.870 3.764 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2ccc3cccccc2-3)CC[C@@H]1C[NH3+] ZINC001205651653 1133600015 /nfs/dbraw/zinc/60/00/15/1133600015.db2.gz HXLIGTGMZIYOBA-DOTOQJQBSA-N 2 1 282.431 3.598 20 0 CHADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@@H](C)c1ccc(C)cc1 ZINC001205693257 1133603965 /nfs/dbraw/zinc/60/39/65/1133603965.db2.gz SOMWXLPNFBVNTQ-GOSISDBHSA-N 2 1 288.479 3.906 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC001205716572 1133604629 /nfs/dbraw/zinc/60/46/29/1133604629.db2.gz JVPAUMROZHHHQV-FHWLQOOXSA-N 2 1 286.463 3.787 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC001205716572 1133604632 /nfs/dbraw/zinc/60/46/32/1133604632.db2.gz JVPAUMROZHHHQV-FHWLQOOXSA-N 2 1 286.463 3.787 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC001205716592 1133605746 /nfs/dbraw/zinc/60/57/46/1133605746.db2.gz JZGDQRBNRBSUNU-FHWLQOOXSA-N 2 1 286.463 3.787 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC001205716592 1133605752 /nfs/dbraw/zinc/60/57/52/1133605752.db2.gz JZGDQRBNRBSUNU-FHWLQOOXSA-N 2 1 286.463 3.787 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@H]1CC2CCC1CC2 ZINC001205716843 1133606429 /nfs/dbraw/zinc/60/64/29/1133606429.db2.gz MKTHWFCGORQVSY-VLMYXLFRSA-N 2 1 278.484 3.665 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@H]1CC2CCC1CC2 ZINC001205716843 1133606431 /nfs/dbraw/zinc/60/64/31/1133606431.db2.gz MKTHWFCGORQVSY-VLMYXLFRSA-N 2 1 278.484 3.665 20 0 CHADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1CC1(c2ccccc2)CCCC1 ZINC001205901778 1133628274 /nfs/dbraw/zinc/62/82/74/1133628274.db2.gz GFRWADXMHYEEQF-DLBZAZTESA-N 2 1 286.463 3.558 20 0 CHADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccccc1-c1ccccc1 ZINC001205913544 1133629814 /nfs/dbraw/zinc/62/98/14/1133629814.db2.gz IYQWLYRZXUCYOR-FUHWJXTLSA-N 2 1 294.442 3.913 20 0 CHADMP [NH3+][C@@H]1CCCC[N@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001205931548 1133632705 /nfs/dbraw/zinc/63/27/05/1133632705.db2.gz LCWWRJQYSMUPEN-GOSISDBHSA-N 2 1 280.415 3.667 20 0 CHADMP [NH3+][C@@H]1CCCC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001205931548 1133632709 /nfs/dbraw/zinc/63/27/09/1133632709.db2.gz LCWWRJQYSMUPEN-GOSISDBHSA-N 2 1 280.415 3.667 20 0 CHADMP [NH3+][C@@H]1CCCC[N@H+](Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001205940053 1133632984 /nfs/dbraw/zinc/63/29/84/1133632984.db2.gz ZKTXFKMVABBMAT-HXUWFJFHSA-N 2 1 294.442 3.591 20 0 CHADMP [NH3+][C@@H]1CCCC[N@@H+](Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001205940053 1133632989 /nfs/dbraw/zinc/63/29/89/1133632989.db2.gz ZKTXFKMVABBMAT-HXUWFJFHSA-N 2 1 294.442 3.591 20 0 CHADMP Cc1cccc(-c2ccc(C[N@@H+]3CCCC[C@@H]([NH3+])C3)cc2)c1 ZINC001205938930 1133633116 /nfs/dbraw/zinc/63/31/16/1133633116.db2.gz LZJFAKPAPCIPMW-HXUWFJFHSA-N 2 1 294.442 3.975 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3CCCC[C@@H]([NH3+])C3)cc2)c1 ZINC001205938930 1133633121 /nfs/dbraw/zinc/63/31/21/1133633121.db2.gz LZJFAKPAPCIPMW-HXUWFJFHSA-N 2 1 294.442 3.975 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1CCCC[C@H]([NH3+])C1 ZINC001205932388 1133633284 /nfs/dbraw/zinc/63/32/84/1133633284.db2.gz RGZPSLRATZBYBX-SFHVURJKSA-N 2 1 294.442 3.975 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1CCCC[C@H]([NH3+])C1 ZINC001205932388 1133633288 /nfs/dbraw/zinc/63/32/88/1133633288.db2.gz RGZPSLRATZBYBX-SFHVURJKSA-N 2 1 294.442 3.975 20 0 CHADMP CCCC[C@H](CC)C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205981752 1133637792 /nfs/dbraw/zinc/63/77/92/1133637792.db2.gz GSONHJHPGZHXNQ-HRCADAONSA-N 2 1 254.462 3.510 20 0 CHADMP CC1=CC[C@H](CC[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)C1(C)C ZINC001205981436 1133638049 /nfs/dbraw/zinc/63/80/49/1133638049.db2.gz CIVKDZIJJHSMRY-BHYGNILZSA-N 2 1 278.484 3.676 20 0 CHADMP Cc1ccc(F)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1Cl ZINC001205992085 1133638874 /nfs/dbraw/zinc/63/88/74/1133638874.db2.gz DKHSBJHTCABDMH-CHWSQXEVSA-N 2 1 298.833 3.594 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)o2)CCC[C@@H]1C[NH3+] ZINC001206011598 1133640944 /nfs/dbraw/zinc/64/09/44/1133640944.db2.gz FJLKHRKEFUIYOD-NVXWUHKLSA-N 2 1 298.430 3.753 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccc(F)c(C3CC3)c2)CCC[C@@H]1C[NH3+] ZINC001206036559 1133646331 /nfs/dbraw/zinc/64/63/31/1133646331.db2.gz LAACYMFMOZRDCV-XJKSGUPXSA-N 2 1 290.426 3.510 20 0 CHADMP CCSc1ccccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206036514 1133646572 /nfs/dbraw/zinc/64/65/72/1133646572.db2.gz KNLFLRHVSVOGQT-GJZGRUSLSA-N 2 1 292.492 3.605 20 0 CHADMP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2)CC[C@@H]1F ZINC001206184578 1133668331 /nfs/dbraw/zinc/66/83/31/1133668331.db2.gz IWHKSBCZPRTNFA-OALUTQOASA-N 2 1 298.405 3.615 20 0 CHADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2)CC[C@@H]1F ZINC001206184578 1133668332 /nfs/dbraw/zinc/66/83/32/1133668332.db2.gz IWHKSBCZPRTNFA-OALUTQOASA-N 2 1 298.405 3.615 20 0 CHADMP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001206214946 1133671268 /nfs/dbraw/zinc/67/12/68/1133671268.db2.gz HUBVSFXXBQTSEA-OKZBNKHCSA-N 2 1 280.500 3.913 20 0 CHADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1cccc2c3ccccc3oc21 ZINC001206257733 1133677550 /nfs/dbraw/zinc/67/75/50/1133677550.db2.gz IYAPVAWZZQUEJU-AWEZNQCLSA-N 2 1 294.398 3.770 20 0 CHADMP C[C@H]1C[NH2+]CC[N@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001206276753 1133680964 /nfs/dbraw/zinc/68/09/64/1133680964.db2.gz HZMPCSBEHDTPJK-HNNXBMFYSA-N 2 1 298.405 3.534 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@@H+](CCCC2CCCCC2)CC1 ZINC001206296062 1133685364 /nfs/dbraw/zinc/68/53/64/1133685364.db2.gz PBCNKQXJKAKHCW-KRWDZBQOSA-N 2 1 266.473 3.798 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1C ZINC001206318080 1133688572 /nfs/dbraw/zinc/68/85/72/1133688572.db2.gz MBCDGKQUHDBCMI-SFHVURJKSA-N 2 1 274.452 3.563 20 0 CHADMP Cc1c(Cl)cccc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206327889 1133690061 /nfs/dbraw/zinc/69/00/61/1133690061.db2.gz ZOLZFNOAMZXWTA-INIZCTEOSA-N 2 1 280.843 3.599 20 0 CHADMP CCCCc1ccc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206360755 1133694854 /nfs/dbraw/zinc/69/48/54/1133694854.db2.gz ATBANBJYUCHLRI-GOSISDBHSA-N 2 1 292.442 3.682 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206360755 1133694856 /nfs/dbraw/zinc/69/48/56/1133694856.db2.gz ATBANBJYUCHLRI-GOSISDBHSA-N 2 1 292.442 3.682 20 0 CHADMP Cc1cccc(CC[C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C)c1 ZINC001206537805 1133715888 /nfs/dbraw/zinc/71/58/88/1133715888.db2.gz OHQSYKHQEFUGTE-GOSISDBHSA-N 2 1 290.495 3.884 20 0 CHADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccccc2C(F)F)C1 ZINC001206556650 1133717315 /nfs/dbraw/zinc/71/73/15/1133717315.db2.gz USUHZICLKMGWJI-MRXNPFEDSA-N 2 1 282.378 3.575 20 0 CHADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC001206564921 1133717812 /nfs/dbraw/zinc/71/78/12/1133717812.db2.gz RPWWFFLFDNIENJ-GOSISDBHSA-N 2 1 272.436 3.515 20 0 CHADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC001206564923 1133718324 /nfs/dbraw/zinc/71/83/24/1133718324.db2.gz RPWWFFLFDNIENJ-SFHVURJKSA-N 2 1 272.436 3.515 20 0 CHADMP Cc1cc([NH+]2CCCCC2)ccc1Nc1cc[nH+]c(N)c1 ZINC001206567705 1133719848 /nfs/dbraw/zinc/71/98/48/1133719848.db2.gz BICUUERPXSGHMS-UHFFFAOYSA-N 2 1 282.391 3.706 20 0 CHADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(F)c(C3CC3)c2)C1 ZINC001206575356 1133720480 /nfs/dbraw/zinc/72/04/80/1133720480.db2.gz WHNKGSOUZISAGD-GOSISDBHSA-N 2 1 290.426 3.654 20 0 CHADMP Cc1cc(F)cc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c1Cl ZINC001206573209 1133721003 /nfs/dbraw/zinc/72/10/03/1133721003.db2.gz JUARFNHQNRXRFF-MRXNPFEDSA-N 2 1 298.833 3.738 20 0 CHADMP Cc1cc(F)cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1Cl ZINC001206573209 1133721008 /nfs/dbraw/zinc/72/10/08/1133721008.db2.gz JUARFNHQNRXRFF-MRXNPFEDSA-N 2 1 298.833 3.738 20 0 CHADMP Cc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(C)c1Cl ZINC001206580586 1133722129 /nfs/dbraw/zinc/72/21/29/1133722129.db2.gz FJLHFYNLQIGOIE-QGZVFWFLSA-N 2 1 294.870 3.908 20 0 CHADMP CC(C)[N@H+](Cc1ccc(F)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC001206580114 1133722387 /nfs/dbraw/zinc/72/23/87/1133722387.db2.gz CHGAVCRWGCJBBU-OAHLLOKOSA-N 2 1 298.833 3.832 20 0 CHADMP CC(C)[N@@H+](Cc1ccc(F)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC001206580114 1133722391 /nfs/dbraw/zinc/72/23/91/1133722391.db2.gz CHGAVCRWGCJBBU-OAHLLOKOSA-N 2 1 298.833 3.832 20 0 CHADMP CC(C)[N@H+](Cc1cc(F)ccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC001206591645 1133723937 /nfs/dbraw/zinc/72/39/37/1133723937.db2.gz UQCRLWWHQYFJGX-HNNXBMFYSA-N 2 1 298.833 3.832 20 0 CHADMP CC(C)[N@@H+](Cc1cc(F)ccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC001206591645 1133723941 /nfs/dbraw/zinc/72/39/41/1133723941.db2.gz UQCRLWWHQYFJGX-HNNXBMFYSA-N 2 1 298.833 3.832 20 0 CHADMP CC(C)[N@@H+](Cc1ccc2occc2c1)[C@H]1CCC[NH2+]CC1 ZINC001206591837 1133724611 /nfs/dbraw/zinc/72/46/11/1133724611.db2.gz WOJGJDZRBWUUFC-KRWDZBQOSA-N 2 1 286.419 3.785 20 0 CHADMP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c2ccccc12 ZINC001206768664 1133745484 /nfs/dbraw/zinc/74/54/84/1133745484.db2.gz LHUYMGFNGGYJLH-CVEARBPZSA-N 2 1 282.431 3.707 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1-c1ccccc1 ZINC001206771854 1133747209 /nfs/dbraw/zinc/74/72/09/1133747209.db2.gz YIQSIXVOFNXSKW-IRXDYDNUSA-N 2 1 294.442 3.913 20 0 CHADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc(C)c1Cl ZINC001206811396 1133751160 /nfs/dbraw/zinc/75/11/60/1133751160.db2.gz SYHRHDGFYYWNFL-UONOGXRCSA-N 2 1 280.843 3.516 20 0 CHADMP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(C)c1Cl ZINC001206807258 1133751199 /nfs/dbraw/zinc/75/11/99/1133751199.db2.gz IBFPSLXNUKPUGS-JSGCOSHPSA-N 2 1 280.843 3.516 20 0 CHADMP C[C@H]1CCCC[N@H+]1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207283955 1133787371 /nfs/dbraw/zinc/78/73/71/1133787371.db2.gz GDPSJFLGDGPBCU-KRWDZBQOSA-N 2 1 286.463 3.773 20 0 CHADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001207627231 1133831790 /nfs/dbraw/zinc/83/17/90/1133831790.db2.gz UNYOHMFZXPXQFZ-ZSYWTGECSA-N 2 1 288.479 3.539 20 0 CHADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001207627228 1133833225 /nfs/dbraw/zinc/83/32/25/1133833225.db2.gz UNYOHMFZXPXQFZ-MANSERQUSA-N 2 1 288.479 3.539 20 0 CHADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@H]2c2ccccc2)CC1 ZINC001208107669 1133876379 /nfs/dbraw/zinc/87/63/79/1133876379.db2.gz XVHWCHSQCKXWLB-KRWDZBQOSA-N 2 1 272.436 3.555 20 0 CHADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001208107682 1133877768 /nfs/dbraw/zinc/87/77/68/1133877768.db2.gz YIEKKRNLDZWICM-GOSISDBHSA-N 2 1 286.463 3.598 20 0 CHADMP CC[N@@H+](Cc1cccc(Cl)c1)CC1(C)CC[NH+](C)CC1 ZINC001208112691 1133878769 /nfs/dbraw/zinc/87/87/69/1133878769.db2.gz XHTJUDHUGVVSEU-UHFFFAOYSA-N 2 1 294.870 3.894 20 0 CHADMP C[NH+](C)CC1(C[N@@H+]2CC=C(c3ccccc3)CC2)CCCC1 ZINC001208186533 1133902883 /nfs/dbraw/zinc/90/28/83/1133902883.db2.gz TZTHBVYJIUWNFG-UHFFFAOYSA-N 2 1 298.474 3.898 20 0 CHADMP C[C@H]1CC[C@H]([N@@H+](C)CC2(C[NH+](C)C)CCCC2)CC1 ZINC001208188235 1133903408 /nfs/dbraw/zinc/90/34/08/1133903408.db2.gz IBMGVQXBSSBPFE-WKILWMFISA-N 2 1 266.473 3.619 20 0 CHADMP CC/C=C\CCCCC[NH+]1CCC([N@@H+](C)CC)CC1 ZINC001208196314 1133903909 /nfs/dbraw/zinc/90/39/09/1133903909.db2.gz OVECXJMALVAKBX-SREVYHEPSA-N 2 1 266.473 3.929 20 0 CHADMP CC[NH+]1CCC(C[N@@H+](C)CCc2ccc(Cl)cc2)CC1 ZINC001208598547 1133918241 /nfs/dbraw/zinc/91/82/41/1133918241.db2.gz SEMPZKYEXGMMDM-UHFFFAOYSA-N 2 1 294.870 3.546 20 0 CHADMP CC(C)CC[NH+](CCC(C)C)C[C@H]1CCC[N@H+](C)C1 ZINC001208619444 1133918777 /nfs/dbraw/zinc/91/87/77/1133918777.db2.gz XQDGIDONPAZDQQ-KRWDZBQOSA-N 2 1 268.489 3.722 20 0 CHADMP CC(C)CC[NH+](CCC(C)C)C[C@H]1CCC[N@@H+](C)C1 ZINC001208619444 1133918781 /nfs/dbraw/zinc/91/87/81/1133918781.db2.gz XQDGIDONPAZDQQ-KRWDZBQOSA-N 2 1 268.489 3.722 20 0 CHADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H]2c2ccc(C)cc2)CC1 ZINC001208600866 1133920224 /nfs/dbraw/zinc/92/02/24/1133920224.db2.gz YDIIJORUTSBHDZ-IBGZPJMESA-N 2 1 286.463 3.864 20 0 CHADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](CCC4CC4)CC[C@@H]3C2)cc1 ZINC001208687051 1133926754 /nfs/dbraw/zinc/92/67/54/1133926754.db2.gz ZBDSOBUSJDFHBS-VQTJNVASSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CCC4CC4)CC[C@@H]3C2)cc1 ZINC001208687051 1133926757 /nfs/dbraw/zinc/92/67/57/1133926757.db2.gz ZBDSOBUSJDFHBS-VQTJNVASSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CCC4CC4)CC[C@@H]3C2)cc1 ZINC001208687051 1133926763 /nfs/dbraw/zinc/92/67/63/1133926763.db2.gz ZBDSOBUSJDFHBS-VQTJNVASSA-N 2 1 298.474 3.631 20 0 CHADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208928340 1133962959 /nfs/dbraw/zinc/96/29/59/1133962959.db2.gz FXFCLFLTNBDWDW-IEBWSBKVSA-N 2 1 286.463 3.631 20 0 CHADMP C[C@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001208943275 1133965244 /nfs/dbraw/zinc/96/52/44/1133965244.db2.gz UBUHSGIVBMAJMG-PKOBYXMFSA-N 2 1 286.463 3.631 20 0 CHADMP C[C@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208943275 1133965246 /nfs/dbraw/zinc/96/52/46/1133965246.db2.gz UBUHSGIVBMAJMG-PKOBYXMFSA-N 2 1 286.463 3.631 20 0 CHADMP C[C@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208943275 1133965250 /nfs/dbraw/zinc/96/52/50/1133965250.db2.gz UBUHSGIVBMAJMG-PKOBYXMFSA-N 2 1 286.463 3.631 20 0 CHADMP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC34CCCC4)C2)cc1 ZINC001208933480 1133967116 /nfs/dbraw/zinc/96/71/16/1133967116.db2.gz VWGQJDQSWKWANZ-LJQANCHMSA-N 2 1 298.474 3.917 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC34CCCC4)C2)cc1 ZINC001208933480 1133967120 /nfs/dbraw/zinc/96/71/20/1133967120.db2.gz VWGQJDQSWKWANZ-LJQANCHMSA-N 2 1 298.474 3.917 20 0 CHADMP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCC34CCCC4)C2)cc1 ZINC001208933480 1133967127 /nfs/dbraw/zinc/96/71/27/1133967127.db2.gz VWGQJDQSWKWANZ-LJQANCHMSA-N 2 1 298.474 3.917 20 0 CHADMP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCC34CCCC4)C2)cc1 ZINC001208933480 1133967129 /nfs/dbraw/zinc/96/71/29/1133967129.db2.gz VWGQJDQSWKWANZ-LJQANCHMSA-N 2 1 298.474 3.917 20 0 CHADMP CC1(C)CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208949591 1133967605 /nfs/dbraw/zinc/96/76/05/1133967605.db2.gz LRSOATBEPAERAX-GOSISDBHSA-N 2 1 286.463 3.631 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCC4(CCC4)CC3)C2)cc1 ZINC001208940181 1133968019 /nfs/dbraw/zinc/96/80/19/1133968019.db2.gz AVXPZMKVHRNORC-LJQANCHMSA-N 2 1 298.474 3.775 20 0 CHADMP CCc1ccc(C[N@H+](C)CCC[NH+]2CCCCC2)cc1 ZINC001209450024 1134024220 /nfs/dbraw/zinc/02/42/20/1134024220.db2.gz DXYZXXGKHFSLTG-UHFFFAOYSA-N 2 1 274.452 3.557 20 0 CHADMP CCc1ccc(C[N@@H+](C)CCC[NH+]2CCCCC2)cc1 ZINC001209450024 1134024227 /nfs/dbraw/zinc/02/42/27/1134024227.db2.gz DXYZXXGKHFSLTG-UHFFFAOYSA-N 2 1 274.452 3.557 20 0 CHADMP C[N@H+](CCC[NH+]1CCCCC1)Cc1ccc(Cl)cc1 ZINC001209448794 1134025335 /nfs/dbraw/zinc/02/53/35/1134025335.db2.gz IPSVXPUGZRSKBS-UHFFFAOYSA-N 2 1 280.843 3.648 20 0 CHADMP C[N@@H+](CCC[NH+]1CCCCC1)Cc1ccc(Cl)cc1 ZINC001209448794 1134025337 /nfs/dbraw/zinc/02/53/37/1134025337.db2.gz IPSVXPUGZRSKBS-UHFFFAOYSA-N 2 1 280.843 3.648 20 0 CHADMP CCC(C)(C)c1ccc(C[N@@H+]2CC[NH2+][C@@H](C)CC2)cc1 ZINC001210499201 1134229905 /nfs/dbraw/zinc/22/99/05/1134229905.db2.gz SRQZBHJMJSTYSW-HNNXBMFYSA-N 2 1 274.452 3.558 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CC[NH2+][C@@H](C)CC2)cc1 ZINC001210499201 1134229909 /nfs/dbraw/zinc/22/99/09/1134229909.db2.gz SRQZBHJMJSTYSW-HNNXBMFYSA-N 2 1 274.452 3.558 20 0 CHADMP C[C@H]1CC[N@H+](Cc2cccc(-c3ccc(F)cc3)c2)CC[NH2+]1 ZINC001210498327 1134230600 /nfs/dbraw/zinc/23/06/00/1134230600.db2.gz QSCIUPGSKPCHGU-HNNXBMFYSA-N 2 1 298.405 3.677 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)CC[NH2+]1 ZINC001210498327 1134230604 /nfs/dbraw/zinc/23/06/04/1134230604.db2.gz QSCIUPGSKPCHGU-HNNXBMFYSA-N 2 1 298.405 3.677 20 0 CHADMP Cc1cc(C)[nH+]c(NC2=CC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC001210705411 1134276638 /nfs/dbraw/zinc/27/66/38/1134276638.db2.gz SFRAENAEUYKRNX-MRXNPFEDSA-N 2 1 271.408 3.643 20 0 CHADMP C[N@@H+](CCC[NH2+]C1C[C@H]2CC[C@@H](C1)S2)C1CCCCC1 ZINC000403515569 1134791776 /nfs/dbraw/zinc/79/17/76/1134791776.db2.gz NWIGJORNDBZNLP-ZXFUBFMLSA-N 2 1 296.524 3.657 20 0 CHADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001222141754 1135199374 /nfs/dbraw/zinc/19/93/74/1135199374.db2.gz RZBUPMXMUXQXRP-IBGZPJMESA-N 2 1 286.463 3.560 20 0 CHADMP CC(C)(C)CC[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222154962 1135200800 /nfs/dbraw/zinc/20/08/00/1135200800.db2.gz USCHRXLYBDKSLG-KRWDZBQOSA-N 2 1 266.473 3.668 20 0 CHADMP CC1=CC[C@@H](CC[N@H+]2CCC[C@]23CCC[NH2+]C3)C1(C)C ZINC001222230725 1135211132 /nfs/dbraw/zinc/21/11/32/1135211132.db2.gz CLCSMWHVEIMCFS-WMZOPIPTSA-N 2 1 276.468 3.587 20 0 CHADMP c1ccc(C2(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)CCCC2)cc1 ZINC001222231375 1135211798 /nfs/dbraw/zinc/21/17/98/1135211798.db2.gz LKHZQDFPKWZKER-HXUWFJFHSA-N 2 1 298.474 3.716 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222259384 1135215779 /nfs/dbraw/zinc/21/57/79/1135215779.db2.gz OJUCDPHUSYLGGW-ROUUACIJSA-N 2 1 278.484 3.835 20 0 CHADMP c1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c2cccccc1-2 ZINC001222276092 1135217627 /nfs/dbraw/zinc/21/76/27/1135217627.db2.gz BDNMGWCITLOGKB-HXUWFJFHSA-N 2 1 294.442 3.757 20 0 CHADMP C(CC1CCCCC1)C[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001222287575 1135218954 /nfs/dbraw/zinc/21/89/54/1135218954.db2.gz MQKIXZAMMAKRJU-UHFFFAOYSA-N 2 1 278.484 3.955 20 0 CHADMP Fc1cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)ccc1Cl ZINC001222308717 1135222776 /nfs/dbraw/zinc/22/27/76/1135222776.db2.gz LURZPMHIHNCFDU-MRXNPFEDSA-N 2 1 296.817 3.587 20 0 CHADMP Fc1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)ccc1Cl ZINC001222308717 1135222779 /nfs/dbraw/zinc/22/27/79/1135222779.db2.gz LURZPMHIHNCFDU-MRXNPFEDSA-N 2 1 296.817 3.587 20 0 CHADMP Clc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)s1 ZINC001222310280 1135222943 /nfs/dbraw/zinc/22/29/43/1135222943.db2.gz SPQQNEPJXYFALO-CQSZACIVSA-N 2 1 284.856 3.510 20 0 CHADMP Clc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)s1 ZINC001222310280 1135222947 /nfs/dbraw/zinc/22/29/47/1135222947.db2.gz SPQQNEPJXYFALO-CQSZACIVSA-N 2 1 284.856 3.510 20 0 CHADMP C(CC1CCCCC1)C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222310264 1135222974 /nfs/dbraw/zinc/22/29/74/1135222974.db2.gz SOVSPFMNCXIXMD-GOSISDBHSA-N 2 1 278.484 3.955 20 0 CHADMP CSc1ccccc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222314508 1135224190 /nfs/dbraw/zinc/22/41/90/1135224190.db2.gz GYCIQEQBCLKONY-QGZVFWFLSA-N 2 1 290.476 3.517 20 0 CHADMP Cc1cccc(Cl)c1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222314840 1135224633 /nfs/dbraw/zinc/22/46/33/1135224633.db2.gz JGGGYVOCXPSXTM-KRWDZBQOSA-N 2 1 292.854 3.757 20 0 CHADMP CC/C=C\CCCCCC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222464916 1135245167 /nfs/dbraw/zinc/24/51/67/1135245167.db2.gz HXWKUONRGQNBJL-CWIOURORSA-N 2 1 264.457 3.731 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222464916 1135245172 /nfs/dbraw/zinc/24/51/72/1135245172.db2.gz HXWKUONRGQNBJL-CWIOURORSA-N 2 1 264.457 3.731 20 0 CHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC2(C)C)CC1 ZINC000353633009 529998500 /nfs/dbraw/zinc/99/85/00/529998500.db2.gz RJAWOHYHASYTMZ-ABHNRTSZSA-N 2 1 286.463 3.818 20 0 CHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2(C)CC2)CC1 ZINC000353626711 529998668 /nfs/dbraw/zinc/99/86/68/529998668.db2.gz YLAIRJUQNJATKJ-UHFFFAOYSA-N 2 1 286.463 3.819 20 0 CHADMP CC(C)CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)C1CC1 ZINC000310726038 260226044 /nfs/dbraw/zinc/22/60/44/260226044.db2.gz UHLQKUKUSREQMG-MRXNPFEDSA-N 2 1 254.462 3.521 20 0 CHADMP CSc1ccc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1F ZINC000348008530 533001458 /nfs/dbraw/zinc/00/14/58/533001458.db2.gz IIKTWGNCCMJGCR-NWDGAFQWSA-N 2 1 284.444 3.538 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)s1 ZINC000020189366 171055845 /nfs/dbraw/zinc/05/58/45/171055845.db2.gz XESQLVWWRGDOAV-ZDUSSCGKSA-N 2 1 266.454 3.580 20 0 CHADMP CC(C)CC[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000020545054 171243032 /nfs/dbraw/zinc/24/30/32/171243032.db2.gz OJFUJKXEAOUBNN-CVEARBPZSA-N 2 1 254.462 3.665 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCCCCCC1 ZINC000021813436 171330997 /nfs/dbraw/zinc/33/09/97/171330997.db2.gz KYRHJXXKOYQUQZ-INIZCTEOSA-N 2 1 266.473 3.953 20 0 CHADMP C[C@@H](C[NH2+]Cc1ccccc1Cl)C[NH+]1CCCCC1 ZINC000037997473 173958638 /nfs/dbraw/zinc/95/86/38/173958638.db2.gz HEGBOTXTUXSGGS-AWEZNQCLSA-N 2 1 280.843 3.552 20 0 CHADMP C[C@H]1CCCC[N@@H+]1CCNc1cc[nH+]c2cc(F)ccc12 ZINC000354674996 227064854 /nfs/dbraw/zinc/06/48/54/227064854.db2.gz GICCOFNBBXWPED-ZDUSSCGKSA-N 2 1 287.382 3.660 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCNc1cc[nH+]c2cc(F)ccc12 ZINC000354674996 227064864 /nfs/dbraw/zinc/06/48/64/227064864.db2.gz GICCOFNBBXWPED-ZDUSSCGKSA-N 2 1 287.382 3.660 20 0 CHADMP C[NH+](C)Cc1cnc(C[NH2+]CCCCC(C)(C)C)s1 ZINC000352768844 227201364 /nfs/dbraw/zinc/20/13/64/227201364.db2.gz GLMCQYQJQNSBNC-UHFFFAOYSA-N 2 1 283.485 3.511 20 0 CHADMP Cc1ccc(CCC[N@H+](C)[C@@H]2CCC[C@@H](C)C2)cn1 ZINC000353380762 228092997 /nfs/dbraw/zinc/09/29/97/228092997.db2.gz LHNLUTJZTIOTBP-RHSMWYFYSA-N 2 1 260.425 3.833 20 0 CHADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]CC(C)(C)C)C1 ZINC000521378525 260091467 /nfs/dbraw/zinc/09/14/67/260091467.db2.gz OSJCGFUNKMFJTI-AWEZNQCLSA-N 2 1 254.462 3.523 20 0 CHADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]CC(C)(C)C)C1 ZINC000521378525 260091469 /nfs/dbraw/zinc/09/14/69/260091469.db2.gz OSJCGFUNKMFJTI-AWEZNQCLSA-N 2 1 254.462 3.523 20 0 CHADMP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccccc1OC ZINC000037413580 260100882 /nfs/dbraw/zinc/10/08/82/260100882.db2.gz WOKAJAUDQFVSJT-KRWDZBQOSA-N 2 1 290.451 3.609 20 0 CHADMP CC(C)C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000037649388 260115144 /nfs/dbraw/zinc/11/51/44/260115144.db2.gz DBPKWUUGGDONMT-LPHOPBHVSA-N 2 1 286.463 3.848 20 0 CHADMP CCc1ccc([C@H](CC)[NH2+]C2CC[NH+](CC)CC2)cc1 ZINC000038098064 260125942 /nfs/dbraw/zinc/12/59/42/260125942.db2.gz FULLKKBQJWAYKA-SFHVURJKSA-N 2 1 274.452 3.774 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCNCc1ccsc1Cl ZINC000312584011 260159990 /nfs/dbraw/zinc/15/99/90/260159990.db2.gz OODNYFBJYKKUSX-LBPRGKRZSA-N 2 1 286.872 3.756 20 0 CHADMP CC(C)C1CCC(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000312599864 260172519 /nfs/dbraw/zinc/17/25/19/260172519.db2.gz MZHJGKPPDFCQLM-AQFXKWCLSA-N 2 1 278.484 3.523 20 0 CHADMP CC(C)C1CCC(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000312599871 260172943 /nfs/dbraw/zinc/17/29/43/260172943.db2.gz MZHJGKPPDFCQLM-CGZBRXJRSA-N 2 1 278.484 3.523 20 0 CHADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000312755444 260197351 /nfs/dbraw/zinc/19/73/51/260197351.db2.gz OGRWXWXKGYXFRE-PSASIEDQSA-N 2 1 293.263 3.662 20 0 CHADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)C[NH+](C)C ZINC000310780139 260228482 /nfs/dbraw/zinc/22/84/82/260228482.db2.gz RKKPHQQMPNSYTL-QWRGUYRKSA-N 2 1 289.250 3.842 20 0 CHADMP CSc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000091959898 260267086 /nfs/dbraw/zinc/26/70/86/260267086.db2.gz LJMYAGNKCUUPPZ-IPYPFGDCSA-N 2 1 278.465 3.542 20 0 CHADMP CSc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000091959898 260267087 /nfs/dbraw/zinc/26/70/87/260267087.db2.gz LJMYAGNKCUUPPZ-IPYPFGDCSA-N 2 1 278.465 3.542 20 0 CHADMP CC[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000091959943 260267446 /nfs/dbraw/zinc/26/74/46/260267446.db2.gz GPADXURDIJDRIU-UHOFOFEASA-N 2 1 280.843 3.863 20 0 CHADMP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000091959943 260267447 /nfs/dbraw/zinc/26/74/47/260267447.db2.gz GPADXURDIJDRIU-UHOFOFEASA-N 2 1 280.843 3.863 20 0 CHADMP COc1ccccc1[C@H](C)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000093496493 260290120 /nfs/dbraw/zinc/29/01/20/260290120.db2.gz YMNJIWRPBCSJJE-HRCADAONSA-N 2 1 290.451 3.657 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000126540365 260353710 /nfs/dbraw/zinc/35/37/10/260353710.db2.gz OVBOQTJATACSEQ-VCBZYWHSSA-N 2 1 284.447 3.699 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCc2ccccc2C)C1 ZINC000084678397 260366478 /nfs/dbraw/zinc/36/64/78/260366478.db2.gz KCDLZPWGCSLLJQ-GOSISDBHSA-N 2 1 288.479 3.591 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCc2ccccc2C)C1 ZINC000084678397 260366480 /nfs/dbraw/zinc/36/64/80/260366480.db2.gz KCDLZPWGCSLLJQ-GOSISDBHSA-N 2 1 288.479 3.591 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCc2ccccc2C)C1 ZINC000084678397 260366481 /nfs/dbraw/zinc/36/64/81/260366481.db2.gz KCDLZPWGCSLLJQ-GOSISDBHSA-N 2 1 288.479 3.591 20 0 CHADMP C([NH2+]C1CCC2(CCCC2)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000129319674 260385057 /nfs/dbraw/zinc/38/50/57/260385057.db2.gz UCFWHXHXRMSNIT-HNNXBMFYSA-N 2 1 276.468 3.563 20 0 CHADMP c1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130217932 260394485 /nfs/dbraw/zinc/39/44/85/260394485.db2.gz KGYBEUXMEKWTNH-LMMKCTJWSA-N 2 1 284.447 3.671 20 0 CHADMP CC[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000152177241 261060785 /nfs/dbraw/zinc/06/07/85/261060785.db2.gz SAQIPMHNYCSBKN-QWHCGFSZSA-N 2 1 257.381 3.630 20 0 CHADMP C[C@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000153978048 261086219 /nfs/dbraw/zinc/08/62/19/261086219.db2.gz BXWRFUMPJJMVLW-ZIAGYGMSSA-N 2 1 292.854 3.517 20 0 CHADMP C[C@@H](c1ccccc1F)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173603219 261166743 /nfs/dbraw/zinc/16/67/43/261166743.db2.gz FLABVUKDPKXGQZ-JKSUJKDBSA-N 2 1 290.426 3.695 20 0 CHADMP C[C@@H](c1ccccc1F)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173603219 261166746 /nfs/dbraw/zinc/16/67/46/261166746.db2.gz FLABVUKDPKXGQZ-JKSUJKDBSA-N 2 1 290.426 3.695 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)c2ccccc2Cl)CC[N@H+]1C ZINC000164121168 261341061 /nfs/dbraw/zinc/34/10/61/261341061.db2.gz UCTXWRFVPMTUGV-ZIAGYGMSSA-N 2 1 294.870 3.690 20 0 CHADMP Cc1ccsc1[C@@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000164636576 261355930 /nfs/dbraw/zinc/35/59/30/261355930.db2.gz IKFJWXRVJDGVJX-CYBMUJFWSA-N 2 1 277.437 3.692 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000164701130 261357580 /nfs/dbraw/zinc/35/75/80/261357580.db2.gz PULWUILEUJTHEI-HNNXBMFYSA-N 2 1 271.408 3.631 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C(F)F)cc2)CC[N@@H+]1C ZINC000183955170 262002146 /nfs/dbraw/zinc/00/21/46/262002146.db2.gz KXSXVXCKJXKPHT-SWLSCSKDSA-N 2 1 282.378 3.539 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C(F)F)cc2)CC[N@H+]1C ZINC000183955170 262002148 /nfs/dbraw/zinc/00/21/48/262002148.db2.gz KXSXVXCKJXKPHT-SWLSCSKDSA-N 2 1 282.378 3.539 20 0 CHADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(C(F)F)cc2)CC[NH+]1C ZINC000183955170 262002149 /nfs/dbraw/zinc/00/21/49/262002149.db2.gz KXSXVXCKJXKPHT-SWLSCSKDSA-N 2 1 282.378 3.539 20 0 CHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C(F)F)cc2)CC[NH+]1C ZINC000183955170 262002152 /nfs/dbraw/zinc/00/21/52/262002152.db2.gz KXSXVXCKJXKPHT-SWLSCSKDSA-N 2 1 282.378 3.539 20 0 CHADMP COc1ccsc1[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000186202208 262084362 /nfs/dbraw/zinc/08/43/62/262084362.db2.gz PVVAEIXEXINJKX-GFCCVEGCSA-N 2 1 296.480 3.670 20 0 CHADMP CCCC[C@H](CC)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000514088512 262185315 /nfs/dbraw/zinc/18/53/15/262185315.db2.gz LYSRCWLHOKGHFS-HZMVEIRTSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000019913239 262205774 /nfs/dbraw/zinc/20/57/74/262205774.db2.gz ZOTQZBRAMBYFHA-QGZVFWFLSA-N 2 1 282.431 3.859 20 0 CHADMP CCc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000019993094 262212345 /nfs/dbraw/zinc/21/23/45/262212345.db2.gz UVMHYHSBANQODE-INIZCTEOSA-N 2 1 274.452 3.603 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000221913757 262322768 /nfs/dbraw/zinc/32/27/68/262322768.db2.gz FLTMJAXRTFEVCJ-OAHLLOKOSA-N 2 1 274.452 3.556 20 0 CHADMP CC(C)=CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390905156 262360944 /nfs/dbraw/zinc/36/09/44/262360944.db2.gz RBLUBDZWDQEWKW-SFHVURJKSA-N 2 1 286.463 3.843 20 0 CHADMP CC(C)=CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390905156 262360945 /nfs/dbraw/zinc/36/09/45/262360945.db2.gz RBLUBDZWDQEWKW-SFHVURJKSA-N 2 1 286.463 3.843 20 0 CHADMP CC(C)[C@@H](C[NH2+]C[C@H](C)c1ccccc1)[NH+]1CCCC1 ZINC000021045005 262375056 /nfs/dbraw/zinc/37/50/56/262375056.db2.gz FEJDUKMCJJEFEC-FUHWJXTLSA-N 2 1 274.452 3.500 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000187160605 262387710 /nfs/dbraw/zinc/38/77/10/262387710.db2.gz XMMHFTTXPPFURK-QFBILLFUSA-N 2 1 299.462 3.685 20 0 CHADMP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414676921 263030511 /nfs/dbraw/zinc/03/05/11/263030511.db2.gz IEXJITHTQGPWHK-QLFBSQMISA-N 2 1 286.419 3.814 20 0 CHADMP CC[N@H+](Cc1ccc(Cl)cc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414677039 263030621 /nfs/dbraw/zinc/03/06/21/263030621.db2.gz ODUXDBSFAMOOOL-DZGCQCFKSA-N 2 1 280.843 3.550 20 0 CHADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)CC[NH2+]1 ZINC000414677813 263031129 /nfs/dbraw/zinc/03/11/29/263031129.db2.gz PKSCOQLNBFEZBU-CKEIUWERSA-N 2 1 292.854 3.865 20 0 CHADMP CCC[N@@H+](CCC[NH3+])[C@@H](C)c1cc2ccccc2o1 ZINC000414687749 263032617 /nfs/dbraw/zinc/03/26/17/263032617.db2.gz HZGWKUVFSZGDCS-ZDUSSCGKSA-N 2 1 260.381 3.555 20 0 CHADMP Cc1ccc(C)c([C@H](C)[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414703584 263033435 /nfs/dbraw/zinc/03/34/35/263033435.db2.gz MGCDXICDCLXENA-IKGGRYGDSA-N 2 1 274.452 3.684 20 0 CHADMP [NH3+]CCC[N@H+]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000414708708 263033744 /nfs/dbraw/zinc/03/37/44/263033744.db2.gz QNXUVLPHYFKQFK-HNNXBMFYSA-N 2 1 266.816 3.606 20 0 CHADMP CC(C)([NH3+])C[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000414803676 263051522 /nfs/dbraw/zinc/05/15/22/263051522.db2.gz MLSMHCPPHZTBCJ-UHFFFAOYSA-N 2 1 294.851 3.895 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CCc1ccc(Cl)s1 ZINC000414814209 263053401 /nfs/dbraw/zinc/05/34/01/263053401.db2.gz NLICMMDBTSHULN-NWDGAFQWSA-N 2 1 288.888 3.830 20 0 CHADMP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2c(F)cccc2Cl)cc1 ZINC000414815837 263053772 /nfs/dbraw/zinc/05/37/72/263053772.db2.gz YJIYQRLTTLUXMY-NSHDSACASA-N 2 1 292.785 3.789 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000414816994 263054251 /nfs/dbraw/zinc/05/42/51/263054251.db2.gz RHCGSQXLDUUEKN-OKZBNKHCSA-N 2 1 274.452 3.505 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)CC(C)(C)c1ccccc1 ZINC000414851842 263068781 /nfs/dbraw/zinc/06/87/81/263068781.db2.gz PVSUETNMERKZBZ-NVXWUHKLSA-N 2 1 276.468 3.706 20 0 CHADMP Fc1cc(-c2ccccc2)ccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000414912798 263118577 /nfs/dbraw/zinc/11/85/77/263118577.db2.gz IHTSLUNLJHDDGX-SFHVURJKSA-N 2 1 298.405 3.724 20 0 CHADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000414963453 263167720 /nfs/dbraw/zinc/16/77/20/263167720.db2.gz TXHYFHJJWPMLDR-IFXJQAMLSA-N 2 1 298.405 3.580 20 0 CHADMP FC(F)c1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415034769 263257106 /nfs/dbraw/zinc/25/71/06/263257106.db2.gz DBMGOTMTJCXNAY-HOTGVXAUSA-N 2 1 294.389 3.588 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c(C)s1 ZINC000453391561 263260033 /nfs/dbraw/zinc/26/00/33/263260033.db2.gz DTTQJTNXMDVMRV-CYBMUJFWSA-N 2 1 280.481 3.890 20 0 CHADMP Cc1ccc([C@@H]([NH2+]C2CC[NH+](C)CC2)C2CCCC2)cc1 ZINC000187708857 263267393 /nfs/dbraw/zinc/26/73/93/263267393.db2.gz VNISJTJIYYNBOE-IBGZPJMESA-N 2 1 286.463 3.910 20 0 CHADMP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000415096623 263272937 /nfs/dbraw/zinc/27/29/37/263272937.db2.gz BUFYCKHCNBBITN-GXFFZTMASA-N 2 1 287.234 3.614 20 0 CHADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@@H]2CCC[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000415113855 263274003 /nfs/dbraw/zinc/27/40/03/263274003.db2.gz SABYJFAHGXZXHF-PSBWJHGTSA-N 2 1 286.463 3.643 20 0 CHADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC3CCCCC3)CC[NH2+]2)cc1 ZINC000415100803 263274008 /nfs/dbraw/zinc/27/40/08/263274008.db2.gz IDEPFNOKWVDWBG-ROUUACIJSA-N 2 1 272.436 3.650 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1F ZINC000157470176 264383624 /nfs/dbraw/zinc/38/36/24/264383624.db2.gz SOAJISNWSGOURX-OCBCSQNSSA-N 2 1 284.378 3.930 20 0 CHADMP CCCc1cccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000518837993 265122199 /nfs/dbraw/zinc/12/21/99/265122199.db2.gz GPHVFNSDAQVLRX-MOPGFXCFSA-N 2 1 286.463 3.555 20 0 CHADMP CCCc1cccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000518837993 265122202 /nfs/dbraw/zinc/12/22/02/265122202.db2.gz GPHVFNSDAQVLRX-MOPGFXCFSA-N 2 1 286.463 3.555 20 0 CHADMP CCCc1cccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000518837993 265122206 /nfs/dbraw/zinc/12/22/06/265122206.db2.gz GPHVFNSDAQVLRX-MOPGFXCFSA-N 2 1 286.463 3.555 20 0 CHADMP Cc1oc2ccccc2c1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000519033708 265300510 /nfs/dbraw/zinc/30/05/10/265300510.db2.gz ZRQLAKIURNVAEH-MAUKXSAKSA-N 2 1 298.430 3.657 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000519033708 265300513 /nfs/dbraw/zinc/30/05/13/265300513.db2.gz ZRQLAKIURNVAEH-MAUKXSAKSA-N 2 1 298.430 3.657 20 0 CHADMP Cc1oc2ccccc2c1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000519033708 265300515 /nfs/dbraw/zinc/30/05/15/265300515.db2.gz ZRQLAKIURNVAEH-MAUKXSAKSA-N 2 1 298.430 3.657 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000356391293 266106842 /nfs/dbraw/zinc/10/68/42/266106842.db2.gz PRGOILDXDHHTGC-VYENPZKTSA-N 2 1 295.430 3.759 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000356391293 266106846 /nfs/dbraw/zinc/10/68/46/266106846.db2.gz PRGOILDXDHHTGC-VYENPZKTSA-N 2 1 295.430 3.759 20 0 CHADMP CC[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(F)c1 ZINC000356853181 266191413 /nfs/dbraw/zinc/19/14/13/266191413.db2.gz OAIGCTCLAIPZOI-KRWDZBQOSA-N 2 1 278.415 3.522 20 0 CHADMP CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(F)c1 ZINC000356853181 266191415 /nfs/dbraw/zinc/19/14/15/266191415.db2.gz OAIGCTCLAIPZOI-KRWDZBQOSA-N 2 1 278.415 3.522 20 0 CHADMP CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc(F)c1 ZINC000356853181 266191418 /nfs/dbraw/zinc/19/14/18/266191418.db2.gz OAIGCTCLAIPZOI-KRWDZBQOSA-N 2 1 278.415 3.522 20 0 CHADMP CC[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccc(F)c1 ZINC000356853181 266191420 /nfs/dbraw/zinc/19/14/20/266191420.db2.gz OAIGCTCLAIPZOI-KRWDZBQOSA-N 2 1 278.415 3.522 20 0 CHADMP Fc1ccc2c(c1)nccc2NCc1ccn2ccnc2c1 ZINC000357430459 266294205 /nfs/dbraw/zinc/29/42/05/266294205.db2.gz AWLFPTHNYMRWKJ-UHFFFAOYSA-N 2 1 292.317 3.634 20 0 CHADMP c1ccc2c(c1)CC[C@@H]2[N@@H+](CCC1CC[NH2+]CC1)C1CC1 ZINC000359226214 266552306 /nfs/dbraw/zinc/55/23/06/266552306.db2.gz ULFWQSAAWLFFMI-IBGZPJMESA-N 2 1 284.447 3.528 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1nccc2ccccc21 ZINC000368126691 267146236 /nfs/dbraw/zinc/14/62/36/267146236.db2.gz SVSCLYLGRLRQJZ-USXIJHARSA-N 2 1 295.430 3.512 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1nccc2ccccc21 ZINC000368126691 267146240 /nfs/dbraw/zinc/14/62/40/267146240.db2.gz SVSCLYLGRLRQJZ-USXIJHARSA-N 2 1 295.430 3.512 20 0 CHADMP CCC(CC)C[N@H+](CC)CCCCn1cc[nH+]c1C ZINC000119115257 267302624 /nfs/dbraw/zinc/30/26/24/267302624.db2.gz HEAPKQDLIBDRIV-UHFFFAOYSA-N 2 1 265.445 3.730 20 0 CHADMP CCC(CC)C[N@@H+](CC)CCCCn1cc[nH+]c1C ZINC000119115257 267302626 /nfs/dbraw/zinc/30/26/26/267302626.db2.gz HEAPKQDLIBDRIV-UHFFFAOYSA-N 2 1 265.445 3.730 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)c(C)o1 ZINC000119426814 267334973 /nfs/dbraw/zinc/33/49/73/267334973.db2.gz NHWXGCCMVRTCHF-AWEZNQCLSA-N 2 1 290.451 3.954 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccsc1 ZINC000178294655 327793567 /nfs/dbraw/zinc/79/35/67/327793567.db2.gz DIQJENLBJPCPGH-CYBMUJFWSA-N 2 1 278.465 3.806 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CC2CC2)c2ccccc2)CC[N@@H+]1C ZINC000531725287 328023681 /nfs/dbraw/zinc/02/36/81/328023681.db2.gz ZJYVBABRUPRWKT-JLSDUUJJSA-N 2 1 272.436 3.600 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CC2CC2)c2ccccc2)CC[N@H+]1C ZINC000531725287 328023683 /nfs/dbraw/zinc/02/36/83/328023683.db2.gz ZJYVBABRUPRWKT-JLSDUUJJSA-N 2 1 272.436 3.600 20 0 CHADMP CC(C)C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccs1 ZINC000531724910 328023623 /nfs/dbraw/zinc/02/36/23/328023623.db2.gz ARCZPQXGABUZRB-ZNMIVQPWSA-N 2 1 280.481 3.908 20 0 CHADMP CC(C)C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccs1 ZINC000531724910 328023624 /nfs/dbraw/zinc/02/36/24/328023624.db2.gz ARCZPQXGABUZRB-ZNMIVQPWSA-N 2 1 280.481 3.908 20 0 CHADMP C[C@@H]1[C@H](N2CCCC2)CC[N@H+]1C[C@@H]1CCCC(C)(C)C1 ZINC000571448014 328122650 /nfs/dbraw/zinc/12/26/50/328122650.db2.gz OBRRLZHIVVLUIS-BRWVUGGUSA-N 2 1 278.484 3.761 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C(C)(C)C)[C@H](C)C1 ZINC000414309069 328154235 /nfs/dbraw/zinc/15/42/35/328154235.db2.gz UKHHNVYVKVLABA-FXUDXRNXSA-N 2 1 266.473 3.521 20 0 CHADMP CC[N@@H+](Cc1cc2ccccc2s1)[C@@H]1CCC[NH2+]CC1 ZINC000414717351 328216200 /nfs/dbraw/zinc/21/62/00/328216200.db2.gz PUASMHDXWDBHTK-OAHLLOKOSA-N 2 1 288.460 3.865 20 0 CHADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@H]1c1cccc(F)c1 ZINC000414709830 328215282 /nfs/dbraw/zinc/21/52/82/328215282.db2.gz QIRQYBWSDNOTPA-ATNYBXOESA-N 2 1 290.426 3.597 20 0 CHADMP C[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@H]1c1cccc(F)c1 ZINC000414709832 328215311 /nfs/dbraw/zinc/21/53/11/328215311.db2.gz QIRQYBWSDNOTPA-LUXYFRNMSA-N 2 1 290.426 3.597 20 0 CHADMP [NH3+]C[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C1CCCCC1 ZINC000414832440 328233241 /nfs/dbraw/zinc/23/32/41/328233241.db2.gz DMSNISZRQDKQHY-RDBSUJKOSA-N 2 1 292.389 3.605 20 0 CHADMP Cc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1Cl ZINC000289722311 328256008 /nfs/dbraw/zinc/25/60/08/328256008.db2.gz PJXAGZZUAWVOOT-XYPWUTKMSA-N 2 1 292.854 3.705 20 0 CHADMP Cc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Cl ZINC000289722311 328256010 /nfs/dbraw/zinc/25/60/10/328256010.db2.gz PJXAGZZUAWVOOT-XYPWUTKMSA-N 2 1 292.854 3.705 20 0 CHADMP Cc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000289722311 328256012 /nfs/dbraw/zinc/25/60/12/328256012.db2.gz PJXAGZZUAWVOOT-XYPWUTKMSA-N 2 1 292.854 3.705 20 0 CHADMP Cc1ccccc1CC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415083083 328302503 /nfs/dbraw/zinc/30/25/03/328302503.db2.gz FEHOMFQQPGGVDP-VQTJNVASSA-N 2 1 294.442 3.620 20 0 CHADMP Cc1cccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c1C ZINC000048463006 328313501 /nfs/dbraw/zinc/31/35/01/328313501.db2.gz BLLHRBITNWBAPJ-INIZCTEOSA-N 2 1 274.452 3.658 20 0 CHADMP CC(C)c1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000531932189 328320792 /nfs/dbraw/zinc/32/07/92/328320792.db2.gz HFCCGJXROKEBHL-JTDSTZFVSA-N 2 1 288.479 3.671 20 0 CHADMP CC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC000531958279 328340420 /nfs/dbraw/zinc/34/04/20/328340420.db2.gz BLTZUVWQEZAXGS-QZTJIDSGSA-N 2 1 274.452 3.807 20 0 CHADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000049554045 328371828 /nfs/dbraw/zinc/37/18/28/328371828.db2.gz HAHFRUQHGNZPEA-TZMCWYRMSA-N 2 1 274.408 3.732 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC(C(C)C)CC2)[C@H](C)C1 ZINC000531993280 328386094 /nfs/dbraw/zinc/38/60/94/328386094.db2.gz IXDVLAWZFKUVNJ-VXLLPVPCSA-N 2 1 266.473 3.521 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc3cc(C)ccc3o2)[C@H](C)C1 ZINC000557826377 327029485 /nfs/dbraw/zinc/02/94/85/327029485.db2.gz GEIJQTUARJFTIS-PBHICJAKSA-N 2 1 286.419 3.561 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc3cc(C)ccc3o2)[C@H](C)C1 ZINC000557826377 327029486 /nfs/dbraw/zinc/02/94/86/327029486.db2.gz GEIJQTUARJFTIS-PBHICJAKSA-N 2 1 286.419 3.561 20 0 CHADMP CC(C)=CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000576521997 327034172 /nfs/dbraw/zinc/03/41/72/327034172.db2.gz WNHJBWZMKRSCDO-MRXNPFEDSA-N 2 1 292.492 3.776 20 0 CHADMP CC(C)=CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000576521997 327034174 /nfs/dbraw/zinc/03/41/74/327034174.db2.gz WNHJBWZMKRSCDO-MRXNPFEDSA-N 2 1 292.492 3.776 20 0 CHADMP CC(C)=CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000576521997 327034175 /nfs/dbraw/zinc/03/41/75/327034175.db2.gz WNHJBWZMKRSCDO-MRXNPFEDSA-N 2 1 292.492 3.776 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261564024 327051694 /nfs/dbraw/zinc/05/16/94/327051694.db2.gz CBZIVQWPMGVXNR-MGPQQGTHSA-N 2 1 280.843 3.721 20 0 CHADMP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000558490904 327098138 /nfs/dbraw/zinc/09/81/38/327098138.db2.gz LQDIVKOYWKIUFN-BHYGNILZSA-N 2 1 276.468 3.585 20 0 CHADMP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000558490904 327098140 /nfs/dbraw/zinc/09/81/40/327098140.db2.gz LQDIVKOYWKIUFN-BHYGNILZSA-N 2 1 276.468 3.585 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000569351549 327157035 /nfs/dbraw/zinc/15/70/35/327157035.db2.gz HDOMEZQHHPYPKE-SJLPKXTDSA-N 2 1 297.446 3.621 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000569351549 327157036 /nfs/dbraw/zinc/15/70/36/327157036.db2.gz HDOMEZQHHPYPKE-SJLPKXTDSA-N 2 1 297.446 3.621 20 0 CHADMP CC(C)C1([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000559327491 327160082 /nfs/dbraw/zinc/16/00/82/327160082.db2.gz UFHMZCYLFNVNAB-AEFFLSMTSA-N 2 1 286.463 3.818 20 0 CHADMP CC(C)C1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000559327491 327160083 /nfs/dbraw/zinc/16/00/83/327160083.db2.gz UFHMZCYLFNVNAB-AEFFLSMTSA-N 2 1 286.463 3.818 20 0 CHADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000410378045 327188787 /nfs/dbraw/zinc/18/87/87/327188787.db2.gz KASZIEKUFYVOLV-DLBZAZTESA-N 2 1 266.473 3.619 20 0 CHADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000554376556 327216712 /nfs/dbraw/zinc/21/67/12/327216712.db2.gz SJLCGQFPQDUKPI-PVAVHDDUSA-N 2 1 264.457 3.562 20 0 CHADMP CC(C)C[C@H](C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000566230421 327248565 /nfs/dbraw/zinc/24/85/65/327248565.db2.gz QMRJEALFWLCNNA-RTBURBONSA-N 2 1 286.463 3.502 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000559733989 327258988 /nfs/dbraw/zinc/25/89/88/327258988.db2.gz SLDYYIMWHVEGIV-WOJBJXKFSA-N 2 1 294.442 3.654 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000559733989 327258989 /nfs/dbraw/zinc/25/89/89/327258989.db2.gz SLDYYIMWHVEGIV-WOJBJXKFSA-N 2 1 294.442 3.654 20 0 CHADMP C[C@H](c1ccccc1Cl)N(C)CC[C@@H]1CCC[N@H+]1C ZINC000559841757 327265087 /nfs/dbraw/zinc/26/50/87/327265087.db2.gz DWTLXRXMIGMHLR-KGLIPLIRSA-N 2 1 280.843 3.817 20 0 CHADMP CC(C)C1([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000559890968 327268571 /nfs/dbraw/zinc/26/85/71/327268571.db2.gz LNJBTZDVNVOGOP-GBESFXJTSA-N 2 1 298.474 3.675 20 0 CHADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)CCC(C)(C)C)CC1 ZINC000560245317 327292996 /nfs/dbraw/zinc/29/29/96/327292996.db2.gz JFNNDMPFBXDANX-INIZCTEOSA-N 2 1 298.515 3.680 20 0 CHADMP C[C@H](CC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000560594070 327329152 /nfs/dbraw/zinc/32/91/52/327329152.db2.gz FWHHWDVCZJMBNF-MJGOQNOKSA-N 2 1 286.463 3.598 20 0 CHADMP C[C@H](CC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000560594070 327329153 /nfs/dbraw/zinc/32/91/53/327329153.db2.gz FWHHWDVCZJMBNF-MJGOQNOKSA-N 2 1 286.463 3.598 20 0 CHADMP C[C@H](CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000560594070 327329155 /nfs/dbraw/zinc/32/91/55/327329155.db2.gz FWHHWDVCZJMBNF-MJGOQNOKSA-N 2 1 286.463 3.598 20 0 CHADMP Cc1cc(F)c(C[NH2+]Cc2ccc(C[NH3+])cc2)c(Cl)c1 ZINC000574519300 327341846 /nfs/dbraw/zinc/34/18/46/327341846.db2.gz MHJJFEPRDMVYIB-UHFFFAOYSA-N 2 1 292.785 3.536 20 0 CHADMP CCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000560910380 327351869 /nfs/dbraw/zinc/35/18/69/327351869.db2.gz HWQMAZBHBDKUIN-FUHWJXTLSA-N 2 1 286.463 3.819 20 0 CHADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000560910380 327351870 /nfs/dbraw/zinc/35/18/70/327351870.db2.gz HWQMAZBHBDKUIN-FUHWJXTLSA-N 2 1 286.463 3.819 20 0 CHADMP CCC[NH+]1CCC([N@H+](C)Cc2cc(C)sc2C)CC1 ZINC000171940544 329082276 /nfs/dbraw/zinc/08/22/76/329082276.db2.gz CPHSOUBEPBDXNW-UHFFFAOYSA-N 2 1 280.481 3.671 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(C)sc2C)CC1 ZINC000171940544 329082277 /nfs/dbraw/zinc/08/22/77/329082277.db2.gz CPHSOUBEPBDXNW-UHFFFAOYSA-N 2 1 280.481 3.671 20 0 CHADMP CC[C@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000582476966 329094863 /nfs/dbraw/zinc/09/48/63/329094863.db2.gz OQDPOVWXWRWFNR-ZLPCBKJTSA-N 2 1 274.452 3.818 20 0 CHADMP C[C@@H]([NH2+]CCCC1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000394547912 329125727 /nfs/dbraw/zinc/12/57/27/329125727.db2.gz FSIQHMZCYPKYCD-APWZRJJASA-N 2 1 286.463 3.677 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(C)s1 ZINC000172575342 329137489 /nfs/dbraw/zinc/13/74/89/329137489.db2.gz AHQMSXMAPCJMEQ-KRWDZBQOSA-N 2 1 292.492 3.815 20 0 CHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C1CC1 ZINC000177370274 329183667 /nfs/dbraw/zinc/18/36/67/329183667.db2.gz MBFQPKTXLCNXCU-OAHLLOKOSA-N 2 1 298.430 3.800 20 0 CHADMP CC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccc(C)cc1 ZINC000178696983 329202349 /nfs/dbraw/zinc/20/23/49/329202349.db2.gz GDBYZXDMWFSJPR-MAUKXSAKSA-N 2 1 285.435 3.877 20 0 CHADMP CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccc(C)cc1 ZINC000178696973 329202456 /nfs/dbraw/zinc/20/24/56/329202456.db2.gz GDBYZXDMWFSJPR-YJBOKZPZSA-N 2 1 285.435 3.877 20 0 CHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccco1 ZINC000183188978 329245544 /nfs/dbraw/zinc/24/55/44/329245544.db2.gz WDXZVXYCOFCCIO-SOUVJXGZSA-N 2 1 276.424 3.583 20 0 CHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccco1 ZINC000183188978 329245545 /nfs/dbraw/zinc/24/55/45/329245545.db2.gz WDXZVXYCOFCCIO-SOUVJXGZSA-N 2 1 276.424 3.583 20 0 CHADMP CCC1(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CCC1 ZINC000582955457 329293713 /nfs/dbraw/zinc/29/37/13/329293713.db2.gz ZQNKRFHBCXACQB-ROUUACIJSA-N 2 1 286.463 3.992 20 0 CHADMP CCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CCC1 ZINC000582955457 329293714 /nfs/dbraw/zinc/29/37/14/329293714.db2.gz ZQNKRFHBCXACQB-ROUUACIJSA-N 2 1 286.463 3.992 20 0 CHADMP CCCc1cccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000187204996 329354978 /nfs/dbraw/zinc/35/49/78/329354978.db2.gz WEPWBXZPFDMRRS-HNNXBMFYSA-N 2 1 285.435 3.570 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C2(C4CC4)CC2)C3)cc1 ZINC000583243292 329393004 /nfs/dbraw/zinc/39/30/04/329393004.db2.gz NGUXUDOPYZODJK-REPLKXPHSA-N 2 1 296.458 3.714 20 0 CHADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCCc1cccc2ccccc21 ZINC000420362367 329762017 /nfs/dbraw/zinc/76/20/17/329762017.db2.gz NBSNRXDGVHDGJJ-SFHVURJKSA-N 2 1 284.447 3.735 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CC2(C1)CCCCC2 ZINC000421322321 329811978 /nfs/dbraw/zinc/81/19/78/329811978.db2.gz DJMJDKZUCCSLNI-AWEZNQCLSA-N 2 1 275.440 3.530 20 0 CHADMP CCc1nc(C)c([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)s1 ZINC000246953276 329873235 /nfs/dbraw/zinc/87/32/35/329873235.db2.gz HNAAZHSHGACBCJ-FPMFFAJLSA-N 2 1 295.496 3.537 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCCCc1ccccc1 ZINC000162438652 330045639 /nfs/dbraw/zinc/04/56/39/330045639.db2.gz APSBMTLRAJVORJ-AOIWGVFYSA-N 2 1 288.479 3.718 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000379649924 330145745 /nfs/dbraw/zinc/14/57/45/330145745.db2.gz QGRVGXVFOKEJIT-HKUYMTLNSA-N 2 1 298.474 3.818 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC000379649924 330145747 /nfs/dbraw/zinc/14/57/47/330145747.db2.gz QGRVGXVFOKEJIT-HKUYMTLNSA-N 2 1 298.474 3.818 20 0 CHADMP CC[N@@H+](Cc1cccc(C2CC2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000422551177 330148979 /nfs/dbraw/zinc/14/89/79/330148979.db2.gz CYYTUGILBWPQNJ-GOSISDBHSA-N 2 1 272.436 3.528 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422706509 330151110 /nfs/dbraw/zinc/15/11/10/330151110.db2.gz UNLCYHZKKULZEM-SPUZQDLCSA-N 2 1 272.436 3.648 20 0 CHADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc2ccccc2n1 ZINC000422703941 330151204 /nfs/dbraw/zinc/15/12/04/330151204.db2.gz OFKADOGYKNLNFI-NVXWUHKLSA-N 2 1 297.446 3.635 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)C1CCCC1 ZINC000422726612 330152380 /nfs/dbraw/zinc/15/23/80/330152380.db2.gz FNESRFXBIUVEEB-JCGIZDLHSA-N 2 1 272.436 3.648 20 0 CHADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000422736745 330152641 /nfs/dbraw/zinc/15/26/41/330152641.db2.gz WLJXMJIUPKTGSU-YIZRAAEISA-N 2 1 293.213 3.909 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cccc2ccccc21 ZINC000422759158 330153524 /nfs/dbraw/zinc/15/35/24/330153524.db2.gz KUEYDEJUNIQVAP-QWQRMKEZSA-N 2 1 268.404 3.631 20 0 CHADMP c1ccc([C@@H]2C[C@H]([NH2+]CCC3CCCC3)CC[NH2+]2)cc1 ZINC000422801022 330155524 /nfs/dbraw/zinc/15/55/24/330155524.db2.gz DKCREMWILSLLIW-MSOLQXFVSA-N 2 1 272.436 3.650 20 0 CHADMP C[C@@H]([NH2+][C@@H](c1ccccc1)C(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000422839296 330157058 /nfs/dbraw/zinc/15/70/58/330157058.db2.gz ZSKXXPUGSFPLRQ-KBMXLJTQSA-N 2 1 260.425 3.504 20 0 CHADMP Cc1cccc(C([NH2+][C@H](C)C2C[NH2+]C2)c2cccc(C)c2)c1 ZINC000422848656 330157501 /nfs/dbraw/zinc/15/75/01/330157501.db2.gz KIDPWBLXSFKIIP-MRXNPFEDSA-N 2 1 294.442 3.590 20 0 CHADMP [NH3+][C@H]1C[C@H]([NH2+]C2(c3ccccc3)CCC2)c2ccccc21 ZINC000422924855 330160792 /nfs/dbraw/zinc/16/07/92/330160792.db2.gz AGIRFSRKQULLBU-ROUUACIJSA-N 2 1 278.399 3.800 20 0 CHADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(F)ccc32)c2ccccc21 ZINC000422933157 330161057 /nfs/dbraw/zinc/16/10/57/330161057.db2.gz HGFXFPLUXRTQIF-FGTMMUONSA-N 2 1 282.362 3.547 20 0 CHADMP CCC1(C[NH2+][C@@H](C)c2c[nH+]ccc2N)CCCCC1 ZINC000423055501 330167411 /nfs/dbraw/zinc/16/74/11/330167411.db2.gz WNLILQBAOVMXSJ-ZDUSSCGKSA-N 2 1 261.413 3.505 20 0 CHADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])ccc1-c1ccccc1 ZINC000423066776 330168192 /nfs/dbraw/zinc/16/81/92/330168192.db2.gz XVMPBMUZSULZSI-RTBURBONSA-N 2 1 280.415 3.631 20 0 CHADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(C3CC3)cc2)c2ccccc21 ZINC000423077722 330168616 /nfs/dbraw/zinc/16/86/16/330168616.db2.gz MWRYPFFFFFUMRQ-MOPGFXCFSA-N 2 1 278.399 3.798 20 0 CHADMP C[C@@H]([NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423096442 330169956 /nfs/dbraw/zinc/16/99/56/330169956.db2.gz OVHAQMVZGTVLAW-WNOSKKOXSA-N 2 1 292.854 3.706 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CC2([NH3+])CCCCC2)c2ccsc2S1 ZINC000423177262 330175003 /nfs/dbraw/zinc/17/50/03/330175003.db2.gz ITHWQVBFXKVWQZ-AAEUAGOBSA-N 2 1 296.505 3.925 20 0 CHADMP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]CCC[NH2+]C ZINC000423205933 330177130 /nfs/dbraw/zinc/17/71/30/330177130.db2.gz WGUBOQGJVNTLMY-ZDUSSCGKSA-N 2 1 274.408 3.564 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccc(Cl)c1F ZINC000423211314 330178058 /nfs/dbraw/zinc/17/80/58/330178058.db2.gz KWTLBVNREHFVSD-FZMZJTMJSA-N 2 1 284.806 3.519 20 0 CHADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000423269940 330181701 /nfs/dbraw/zinc/18/17/01/330181701.db2.gz HKDXVMLEUOTFDZ-BXUZGUMPSA-N 2 1 274.408 3.556 20 0 CHADMP Cc1ccsc1[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423259163 330183328 /nfs/dbraw/zinc/18/33/28/330183328.db2.gz DDFYZWHWHORPCK-OCCSQVGLSA-N 2 1 266.454 3.615 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)s1 ZINC000423258968 330183348 /nfs/dbraw/zinc/18/33/48/330183348.db2.gz CSLRGCIFBNIHOT-OCCSQVGLSA-N 2 1 266.454 3.615 20 0 CHADMP Cc1cc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cs1 ZINC000423259679 330183419 /nfs/dbraw/zinc/18/34/19/330183419.db2.gz FNBLZOMYUHEDAX-WFASDCNBSA-N 2 1 266.454 3.615 20 0 CHADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccsc1 ZINC000423259180 330183558 /nfs/dbraw/zinc/18/35/58/330183558.db2.gz DDKOSECRPJFWOC-LSDHHAIUSA-N 2 1 266.454 3.696 20 0 CHADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)C1CCC(F)(F)CC1 ZINC000423263773 330183682 /nfs/dbraw/zinc/18/36/82/330183682.db2.gz OVOYZNUEXPOGDU-WFASDCNBSA-N 2 1 288.426 3.698 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000423267133 330184145 /nfs/dbraw/zinc/18/41/45/330184145.db2.gz SUVXDEXXBKZMIY-DNVCBOLYSA-N 2 1 297.446 3.773 20 0 CHADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000423266114 330184166 /nfs/dbraw/zinc/18/41/66/330184166.db2.gz CUBPPCUFMGOMDP-RYUDHWBXSA-N 2 1 288.357 3.729 20 0 CHADMP CC(C)=CCC[C@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423269594 330184516 /nfs/dbraw/zinc/18/45/16/330184516.db2.gz VXADBZUQBAMAAB-GOEBONIOSA-N 2 1 252.446 3.619 20 0 CHADMP [NH3+]C[C@H]([NH2+][C@H]1CCSc2ccccc21)C1CCCCC1 ZINC000423272125 330184815 /nfs/dbraw/zinc/18/48/15/330184815.db2.gz YNICFBOZTOTMSR-HOTGVXAUSA-N 2 1 290.476 3.721 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000423272094 330184852 /nfs/dbraw/zinc/18/48/52/330184852.db2.gz YJYOTRJQDJIRHR-DYVFJYSZSA-N 2 1 285.435 3.508 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000423280764 330185550 /nfs/dbraw/zinc/18/55/50/330185550.db2.gz ABPCHUHAXVWKQD-LLVKDONJSA-N 2 1 299.256 3.617 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000423284357 330185826 /nfs/dbraw/zinc/18/58/26/330185826.db2.gz YEZRPXKAPXQRGK-SMDDNHRTSA-N 2 1 288.357 3.729 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000423287784 330186049 /nfs/dbraw/zinc/18/60/49/330186049.db2.gz ONDPXKMCVRPTLU-CMPLNLGQSA-N 2 1 284.494 3.781 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000423287709 330186052 /nfs/dbraw/zinc/18/60/52/330186052.db2.gz NXVXRGMOXRFXDH-NSHDSACASA-N 2 1 299.256 3.617 20 0 CHADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1cccc(OCc2ccccc2)c1 ZINC000423288617 330186484 /nfs/dbraw/zinc/18/64/84/330186484.db2.gz TYWIYAFELCDCIJ-OAHLLOKOSA-N 2 1 298.430 3.654 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000423298129 330188657 /nfs/dbraw/zinc/18/86/57/330188657.db2.gz NHARIQPQWURROR-HOCLYGCPSA-N 2 1 278.440 3.642 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCCC12CCCC2 ZINC000423304455 330189258 /nfs/dbraw/zinc/18/92/58/330189258.db2.gz YWJJVDXUPFOXLP-HUUCEWRRSA-N 2 1 252.446 3.597 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cccc(Cl)c1F ZINC000423365073 330194402 /nfs/dbraw/zinc/19/44/02/330194402.db2.gz CUKZBDUMDMRTCC-BPNCWPANSA-N 2 1 284.806 3.518 20 0 CHADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cccc(-c2ccccc2)c1 ZINC000423434571 330201143 /nfs/dbraw/zinc/20/11/43/330201143.db2.gz CZOMIAJSXBASKF-ILXRZTDVSA-N 2 1 268.404 3.740 20 0 CHADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(SC(C)C)cc1 ZINC000423465029 330204451 /nfs/dbraw/zinc/20/44/51/330204451.db2.gz MJHYRGOGLFEYLO-JSGCOSHPSA-N 2 1 266.454 3.575 20 0 CHADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1 ZINC000423468577 330204851 /nfs/dbraw/zinc/20/48/51/330204851.db2.gz ONTPAOMUJRKMFI-PGUXBMHVSA-N 2 1 266.816 3.507 20 0 CHADMP CCC[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccsc1 ZINC000423498291 330208279 /nfs/dbraw/zinc/20/82/79/330208279.db2.gz HWZABWBJFCNHJE-LSDHHAIUSA-N 2 1 266.454 3.696 20 0 CHADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000423529652 330210387 /nfs/dbraw/zinc/21/03/87/330210387.db2.gz QFEZOISODRSIRB-CYBMUJFWSA-N 2 1 272.392 3.534 20 0 CHADMP Clc1cccc2c1SCC[C@@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423532330 330210446 /nfs/dbraw/zinc/21/04/46/330210446.db2.gz VGBRJAFYOJIHJO-AWEZNQCLSA-N 2 1 296.867 3.609 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527701359 330274587 /nfs/dbraw/zinc/27/45/87/330274587.db2.gz QEZMIYUVIOHFCJ-BEKAIBRUSA-N 2 1 298.474 3.533 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(C)ccc1C ZINC000527817797 330282804 /nfs/dbraw/zinc/28/28/04/330282804.db2.gz CMXISNXUNAQDHN-SCTDSRPQSA-N 2 1 286.463 3.971 20 0 CHADMP CC(C)c1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000527864595 330285354 /nfs/dbraw/zinc/28/53/54/330285354.db2.gz JLSOBHCONSWPNG-RVKKMQEKSA-N 2 1 274.452 3.943 20 0 CHADMP CC(C)c1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000527864595 330285355 /nfs/dbraw/zinc/28/53/55/330285355.db2.gz JLSOBHCONSWPNG-RVKKMQEKSA-N 2 1 274.452 3.943 20 0 CHADMP CC(C)c1cccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)c1 ZINC000527843748 330287408 /nfs/dbraw/zinc/28/74/08/330287408.db2.gz DEQGZKGBGIBQSH-CQSZACIVSA-N 2 1 260.425 3.555 20 0 CHADMP CCCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000044533356 330329737 /nfs/dbraw/zinc/32/97/37/330329737.db2.gz JYGMHWGMKIIRMJ-WMZOPIPTSA-N 2 1 274.452 3.849 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCCC2 ZINC000044534229 330329747 /nfs/dbraw/zinc/32/97/47/330329747.db2.gz FBYWFVDSHKSONJ-HOTGVXAUSA-N 2 1 286.463 3.558 20 0 CHADMP CCc1ccc([C@@H](CC)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044533989 330329838 /nfs/dbraw/zinc/32/98/38/330329838.db2.gz UYFCMRFGFKIMFL-FUHWJXTLSA-N 2 1 274.452 3.632 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000044534527 330329929 /nfs/dbraw/zinc/32/99/29/330329929.db2.gz GLGNASSGKSZMHC-CJNGLKHVSA-N 2 1 280.843 3.723 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000424337463 330343530 /nfs/dbraw/zinc/34/35/30/330343530.db2.gz RVBHCTCKGBGCOL-LERXQTSPSA-N 2 1 286.341 3.626 20 0 CHADMP Cc1cc(C)c(C[NH+]2CCC([NH2+]C(C)C)CC2)c(C)c1 ZINC000108370464 330353560 /nfs/dbraw/zinc/35/35/60/330353560.db2.gz PMOCXTJFVPMQBO-UHFFFAOYSA-N 2 1 274.452 3.574 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H](C)C1CCCCC1 ZINC000119684848 330378738 /nfs/dbraw/zinc/37/87/38/330378738.db2.gz RPNCOGOGUZFEAB-HUUCEWRRSA-N 2 1 278.484 3.808 20 0 CHADMP CC(C)c1ccc(CC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000121406624 330399948 /nfs/dbraw/zinc/39/99/48/330399948.db2.gz KDCAZPMAXBFUQS-APWZRJJASA-N 2 1 288.479 3.767 20 0 CHADMP CC(C)c1ccc(CC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000121406624 330399949 /nfs/dbraw/zinc/39/99/49/330399949.db2.gz KDCAZPMAXBFUQS-APWZRJJASA-N 2 1 288.479 3.767 20 0 CHADMP CC(C)c1ccc(CC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000121406624 330399950 /nfs/dbraw/zinc/39/99/50/330399950.db2.gz KDCAZPMAXBFUQS-APWZRJJASA-N 2 1 288.479 3.767 20 0 CHADMP CC(C)c1ccc(CC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000121406624 330399951 /nfs/dbraw/zinc/39/99/51/330399951.db2.gz KDCAZPMAXBFUQS-APWZRJJASA-N 2 1 288.479 3.767 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)Nc1cc[nH+]c2ccsc21 ZINC000432145924 330593851 /nfs/dbraw/zinc/59/38/51/330593851.db2.gz XUBNTSLZIWVJRV-ZDUSSCGKSA-N 2 1 291.464 3.641 20 0 CHADMP CC[C@H](C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1)[NH+]1CCCC1 ZINC000436285136 330673416 /nfs/dbraw/zinc/67/34/16/330673416.db2.gz CYBOJPUMXXWWEE-CEXWTWQISA-N 2 1 286.463 3.787 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC000450856550 331003069 /nfs/dbraw/zinc/00/30/69/331003069.db2.gz PCBUKDWRINAXRW-AWEZNQCLSA-N 2 1 299.409 3.593 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H]1CCC(F)(F)C1 ZINC000450856550 331003070 /nfs/dbraw/zinc/00/30/70/331003070.db2.gz PCBUKDWRINAXRW-AWEZNQCLSA-N 2 1 299.409 3.593 20 0 CHADMP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)CC(C)C)CC1 ZINC000450870953 331003881 /nfs/dbraw/zinc/00/38/81/331003881.db2.gz MRFLOYXZFGZLGV-HNNXBMFYSA-N 2 1 276.424 3.668 20 0 CHADMP CC(C)C[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000450871553 331003977 /nfs/dbraw/zinc/00/39/77/331003977.db2.gz AEXZJANCVQCIHA-HNNXBMFYSA-N 2 1 289.467 3.833 20 0 CHADMP CCC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)C(C)(C)C ZINC000451442133 331029702 /nfs/dbraw/zinc/02/97/02/331029702.db2.gz UGLSNAPCFNETGD-UKRRQHHQSA-N 2 1 265.445 3.632 20 0 CHADMP C[C@@H](CCCC(F)(F)F)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000163484399 331046042 /nfs/dbraw/zinc/04/60/42/331046042.db2.gz RRCPKZMTOSFRPT-LBPRGKRZSA-N 2 1 280.378 3.572 20 0 CHADMP CC[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccncc1 ZINC000453070763 331086508 /nfs/dbraw/zinc/08/65/08/331086508.db2.gz CBAXCWORIKHJEC-IBGZPJMESA-N 2 1 297.446 3.644 20 0 CHADMP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)C1CCC1 ZINC000453107623 331089797 /nfs/dbraw/zinc/08/97/97/331089797.db2.gz LQPBUZGAQHNSKV-DOTOQJQBSA-N 2 1 266.473 3.665 20 0 CHADMP CC[C@@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)C1CCC1 ZINC000453124117 331091688 /nfs/dbraw/zinc/09/16/88/331091688.db2.gz OEIYKLVSKHFDBW-QGZVFWFLSA-N 2 1 287.451 3.527 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c2sccc21 ZINC000453126653 331091871 /nfs/dbraw/zinc/09/18/71/331091871.db2.gz YAFDOVILZGXAKL-CXTNEJHOSA-N 2 1 278.465 3.759 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c2sccc21 ZINC000453126653 331091872 /nfs/dbraw/zinc/09/18/72/331091872.db2.gz YAFDOVILZGXAKL-CXTNEJHOSA-N 2 1 278.465 3.759 20 0 CHADMP Cc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C2CCC2)o1 ZINC000453344785 331119687 /nfs/dbraw/zinc/11/96/87/331119687.db2.gz JEQTUJIYFRKAIJ-YCXXCVGLSA-N 2 1 288.435 3.644 20 0 CHADMP Cc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CCC2)o1 ZINC000453344785 331119688 /nfs/dbraw/zinc/11/96/88/331119688.db2.gz JEQTUJIYFRKAIJ-YCXXCVGLSA-N 2 1 288.435 3.644 20 0 CHADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc2c(c1)CCC2 ZINC000453386125 331126481 /nfs/dbraw/zinc/12/64/81/331126481.db2.gz ABKDJADGBRYRQX-HNNXBMFYSA-N 2 1 286.463 3.700 20 0 CHADMP CCC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)C1CCCC1 ZINC000453386290 331126575 /nfs/dbraw/zinc/12/65/75/331126575.db2.gz ALNZWTARMGPOBU-KRWDZBQOSA-N 2 1 266.473 3.809 20 0 CHADMP Cc1cccc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000453387830 331126902 /nfs/dbraw/zinc/12/69/02/331126902.db2.gz BHRUODLRFISSJG-HNNXBMFYSA-N 2 1 260.425 3.520 20 0 CHADMP Cc1cc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cs1 ZINC000453394400 331127777 /nfs/dbraw/zinc/12/77/77/331127777.db2.gz GSXJUMUYIVJBBE-ZDUSSCGKSA-N 2 1 266.454 3.582 20 0 CHADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453399159 331128258 /nfs/dbraw/zinc/12/82/58/331128258.db2.gz KXPYHSLSJXXZJP-LJQANCHMSA-N 2 1 288.479 3.718 20 0 CHADMP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(F)c1 ZINC000453398659 331128318 /nfs/dbraw/zinc/12/83/18/331128318.db2.gz KSHUHWCPRUOTKT-QGZVFWFLSA-N 2 1 278.415 3.741 20 0 CHADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453402875 331128855 /nfs/dbraw/zinc/12/88/55/331128855.db2.gz NZTSWRFQTMLDGX-SFHVURJKSA-N 2 1 288.479 3.780 20 0 CHADMP C[C@@H](CCc1ccc(F)cc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453411642 331130045 /nfs/dbraw/zinc/13/00/45/331130045.db2.gz VUUBUNLWFVQBJL-HNNXBMFYSA-N 2 1 292.442 3.611 20 0 CHADMP Cc1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)cc1Cl ZINC000453595800 331135402 /nfs/dbraw/zinc/13/54/02/331135402.db2.gz KUEVWJBQTIFPPU-UHFFFAOYSA-N 2 1 280.843 3.612 20 0 CHADMP C[N@@H+](CCCC[NH2+]Cc1ccc2ccccc2c1)C1CC1 ZINC000453606275 331136153 /nfs/dbraw/zinc/13/61/53/331136153.db2.gz VSCCXAYRUUMETM-UHFFFAOYSA-N 2 1 282.431 3.804 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000164618507 331265244 /nfs/dbraw/zinc/26/52/44/331265244.db2.gz RYEBCHBJQXCFBY-CQSZACIVSA-N 2 1 289.398 3.770 20 0 CHADMP CCC(CC)[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1 ZINC000459390077 331279684 /nfs/dbraw/zinc/27/96/84/331279684.db2.gz IFSLJHBIJUOLFJ-SFHVURJKSA-N 2 1 285.435 3.730 20 0 CHADMP CC(C)[C@H](C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000459725019 331295961 /nfs/dbraw/zinc/29/59/61/331295961.db2.gz AWWPQLNBNAPTQD-HKUYNNGSSA-N 2 1 288.479 3.748 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCC[C@H]1C ZINC000459730576 331296521 /nfs/dbraw/zinc/29/65/21/331296521.db2.gz DVRXDEPTRUSJJV-TWMKSMIVSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cc2ccccc2o1 ZINC000459732677 331296699 /nfs/dbraw/zinc/29/66/99/331296699.db2.gz MNMMNLOFENQHJF-CABCVRRESA-N 2 1 286.419 3.815 20 0 CHADMP C[C@@H]1[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C[C@@H]1c1ccccc1 ZINC000459793125 331301247 /nfs/dbraw/zinc/30/12/47/331301247.db2.gz SVGFJPTVOUVWLN-PBWTXFEYSA-N 2 1 286.463 3.500 20 0 CHADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000459800721 331301586 /nfs/dbraw/zinc/30/15/86/331301586.db2.gz ZZJFMNXNQTZACU-GVDBMIGSSA-N 2 1 266.473 3.523 20 0 CHADMP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CC[C@H](C)C1)CC(C)C ZINC000462684052 331325119 /nfs/dbraw/zinc/32/51/19/331325119.db2.gz PZAHCSFYZNOIAH-XHSDSOJGSA-N 2 1 254.462 3.521 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CC[N@@H+]1C ZINC000464060323 331355788 /nfs/dbraw/zinc/35/57/88/331355788.db2.gz UTKHCMJKJJRZRN-BGTYHANMSA-N 2 1 286.463 3.641 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CC[N@H+]1C ZINC000464060323 331355789 /nfs/dbraw/zinc/35/57/89/331355789.db2.gz UTKHCMJKJJRZRN-BGTYHANMSA-N 2 1 286.463 3.641 20 0 CHADMP CCC[N@H+](CC)CC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000466368783 331393734 /nfs/dbraw/zinc/39/37/34/331393734.db2.gz OZZWTOBIQUPCDY-UHFFFAOYSA-N 2 1 294.405 3.677 20 0 CHADMP CCC[N@@H+](CC)CC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000466368783 331393735 /nfs/dbraw/zinc/39/37/35/331393735.db2.gz OZZWTOBIQUPCDY-UHFFFAOYSA-N 2 1 294.405 3.677 20 0 CHADMP CCCc1ccc([C@H]([NH2+]CCc2c[nH+]cn2C)C(C)C)cc1 ZINC000471771416 331519663 /nfs/dbraw/zinc/51/96/63/331519663.db2.gz MENSYDMUENEOMF-LJQANCHMSA-N 2 1 299.462 3.902 20 0 CHADMP CC(C)[NH+](CC[NH2+][C@H](C)C1CCC(F)(F)CC1)C(C)C ZINC000474067141 331567325 /nfs/dbraw/zinc/56/73/25/331567325.db2.gz RGWGDDASCFGDJG-CQSZACIVSA-N 2 1 290.442 3.909 20 0 CHADMP CCC[C@H](CCc1ccccc1)[NH2+]CCCn1cc[nH+]c1C ZINC000510935245 332921141 /nfs/dbraw/zinc/92/11/41/332921141.db2.gz SIMCBINWJFSUTF-LJQANCHMSA-N 2 1 299.462 3.973 20 0 CHADMP CC(C)[NH+](CCC[NH2+][C@@H]1CCc2cc(F)ccc21)C(C)C ZINC000483853410 331886897 /nfs/dbraw/zinc/88/68/97/331886897.db2.gz UYDNZRLEDALOSW-GOSISDBHSA-N 2 1 292.442 3.912 20 0 CHADMP CC(C)[NH+](CCC[NH2+][C@@H]1CCc2c1cccc2F)C(C)C ZINC000483873156 331888404 /nfs/dbraw/zinc/88/84/04/331888404.db2.gz QTICJNDXQAFFFM-GOSISDBHSA-N 2 1 292.442 3.912 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000488443482 332009191 /nfs/dbraw/zinc/00/91/91/332009191.db2.gz OFERVVHVKSNXEP-OWYHZJEWSA-N 2 1 286.463 3.643 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000488443482 332009193 /nfs/dbraw/zinc/00/91/93/332009193.db2.gz OFERVVHVKSNXEP-OWYHZJEWSA-N 2 1 286.463 3.643 20 0 CHADMP C[C@H]1C[C@H]1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000488444482 332009523 /nfs/dbraw/zinc/00/95/23/332009523.db2.gz HXISQZIPNFXFNF-YJBOKZPZSA-N 2 1 298.430 3.657 20 0 CHADMP Cc1ccc([C@@H]2C[C@H](C)[N@H+](CC[C@@H]3CCC[NH+]3C)C2)cc1 ZINC000490033635 332077489 /nfs/dbraw/zinc/07/74/89/332077489.db2.gz PYPDPMCFNMADKI-UHOSZYNNSA-N 2 1 286.463 3.657 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+](C)C(C)C)[C@H](C)C2 ZINC000491379486 332200596 /nfs/dbraw/zinc/20/05/96/332200596.db2.gz IYNFFJLSLUVEMK-CRAIPNDOSA-N 2 1 274.452 3.548 20 0 CHADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(C(C)(C)C)cc1 ZINC000401765197 332758986 /nfs/dbraw/zinc/75/89/86/332758986.db2.gz LDPMQTWEOIXWHH-AWEZNQCLSA-N 2 1 285.435 3.611 20 0 CHADMP C[C@H]1CC[C@@H]1[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000513047684 333001371 /nfs/dbraw/zinc/00/13/71/333001371.db2.gz UPUOORTUXDBASL-RDJZCZTQSA-N 2 1 274.452 3.533 20 0 CHADMP C[N@H+](Cc1ccc(C(C)(C)C)cc1)CC1CC[NH+](C)CC1 ZINC000513742042 333036891 /nfs/dbraw/zinc/03/68/91/333036891.db2.gz SYOZABVHCJQSTG-UHFFFAOYSA-N 2 1 288.479 3.758 20 0 CHADMP C[C@H]([NH2+]CC1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309684555 333047150 /nfs/dbraw/zinc/04/71/50/333047150.db2.gz AMDYVXMJIBGBBB-LPHOPBHVSA-N 2 1 286.463 3.677 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C2CCCCC2)C1 ZINC000177299197 333057231 /nfs/dbraw/zinc/05/72/31/333057231.db2.gz CPGXIRYLKOORBA-JKSUJKDBSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1cccc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1 ZINC000312051831 333076081 /nfs/dbraw/zinc/07/60/81/333076081.db2.gz STIGOBVCIFICMA-IAGOWNOFSA-N 2 1 274.452 3.910 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](c2ccccc2)C1(C)C ZINC000516876162 333085122 /nfs/dbraw/zinc/08/51/22/333085122.db2.gz ORAOGDIPOKJSDX-SFHVURJKSA-N 2 1 297.446 3.621 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](c2ccccc2)C1(C)C ZINC000516876162 333085123 /nfs/dbraw/zinc/08/51/23/333085123.db2.gz ORAOGDIPOKJSDX-SFHVURJKSA-N 2 1 297.446 3.621 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183185104 333119502 /nfs/dbraw/zinc/11/95/02/333119502.db2.gz IBMJUXDJSANWFL-XAUMDUMWSA-N 2 1 298.474 3.917 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000189178465 333183687 /nfs/dbraw/zinc/18/36/87/333183687.db2.gz ULUBGNVEPUJOCT-DLBZAZTESA-N 2 1 278.484 3.667 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1csc(Cl)c1 ZINC000191328492 333218347 /nfs/dbraw/zinc/21/83/47/333218347.db2.gz SYSQBHRZUWPGBL-UHTWSYAYSA-N 2 1 286.872 3.925 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000191518512 333220932 /nfs/dbraw/zinc/22/09/32/333220932.db2.gz FUINJSPTPHUJFK-QGZVFWFLSA-N 2 1 299.462 3.961 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000191518512 333220933 /nfs/dbraw/zinc/22/09/33/333220933.db2.gz FUINJSPTPHUJFK-QGZVFWFLSA-N 2 1 299.462 3.961 20 0 CHADMP CC[C@H](C)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000521942089 333224681 /nfs/dbraw/zinc/22/46/81/333224681.db2.gz WEESHSGLHAMPQM-HOCLYGCPSA-N 2 1 294.508 3.856 20 0 CHADMP CC[C@H](C)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000521942089 333224682 /nfs/dbraw/zinc/22/46/82/333224682.db2.gz WEESHSGLHAMPQM-HOCLYGCPSA-N 2 1 294.508 3.856 20 0 CHADMP CC[C@H](C)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000521942089 333224683 /nfs/dbraw/zinc/22/46/83/333224683.db2.gz WEESHSGLHAMPQM-HOCLYGCPSA-N 2 1 294.508 3.856 20 0 CHADMP CC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H](C)c1cc2ccccc2o1 ZINC000226437119 333261021 /nfs/dbraw/zinc/26/10/21/333261021.db2.gz CBARAJXPEPIUGS-LSDHHAIUSA-N 2 1 286.419 3.815 20 0 CHADMP CC[C@@H](NCCC[N@@H+](C)C(C)C)c1ccccc1F ZINC000226564231 333264822 /nfs/dbraw/zinc/26/48/22/333264822.db2.gz NOAZJXZFVJLTBQ-MRXNPFEDSA-N 2 1 266.404 3.597 20 0 CHADMP CC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccccc1F ZINC000226564231 333264824 /nfs/dbraw/zinc/26/48/24/333264824.db2.gz NOAZJXZFVJLTBQ-MRXNPFEDSA-N 2 1 266.404 3.597 20 0 CHADMP CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccccc1F ZINC000226564231 333264825 /nfs/dbraw/zinc/26/48/25/333264825.db2.gz NOAZJXZFVJLTBQ-MRXNPFEDSA-N 2 1 266.404 3.597 20 0 CHADMP CCCCC[NH+]1CCC(C[N@@H+](C)CCCC)CC1 ZINC000303688969 333345436 /nfs/dbraw/zinc/34/54/36/333345436.db2.gz LKPRKYPLDOPIQF-UHFFFAOYSA-N 2 1 254.462 3.621 20 0 CHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000237523785 333380062 /nfs/dbraw/zinc/38/00/62/333380062.db2.gz CDDZBRLNTRUSLK-HOTGVXAUSA-N 2 1 286.463 3.949 20 0 CHADMP [NH3+]CCC[N@H+](Cc1ccnc2ccccc12)CC1CCCC1 ZINC000576040793 335144377 /nfs/dbraw/zinc/14/43/77/335144377.db2.gz TXQMAZUYALOALE-UHFFFAOYSA-N 2 1 297.446 3.576 20 0 CHADMP C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530178558 333526929 /nfs/dbraw/zinc/52/69/29/333526929.db2.gz MFVBALJWYBYIPA-WCQYABFASA-N 2 1 298.883 3.597 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc2ccccc21 ZINC000530218327 333528857 /nfs/dbraw/zinc/52/88/57/333528857.db2.gz IQONKTJIOGQMPD-RDTXWAMCSA-N 2 1 280.415 3.775 20 0 CHADMP c1csc([C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C2CCCC2)c1 ZINC000530222930 333528965 /nfs/dbraw/zinc/52/89/65/333528965.db2.gz SBDDQWMAPRMXHS-CVEARBPZSA-N 2 1 290.476 3.854 20 0 CHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CCCC1 ZINC000174450386 335155386 /nfs/dbraw/zinc/15/53/86/335155386.db2.gz GOTJJDBVNUPSNR-UHFFFAOYSA-N 2 1 298.430 3.944 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(C)(C)C ZINC000129003201 333735328 /nfs/dbraw/zinc/73/53/28/333735328.db2.gz HHXRWFZLWSUZQK-MRXNPFEDSA-N 2 1 288.479 3.718 20 0 CHADMP C[C@H](CC[NH2+][C@@H](C)c1cc(F)cc(F)c1)[NH+]1CCCCC1 ZINC000541559351 333780261 /nfs/dbraw/zinc/78/02/61/333780261.db2.gz NFVJOPQFMBXCOX-KGLIPLIRSA-N 2 1 296.405 3.880 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2)[C@H](C)C1 ZINC000174629615 335161145 /nfs/dbraw/zinc/16/11/45/335161145.db2.gz RNWLIAQFBUCSQP-DNVCBOLYSA-N 2 1 282.431 3.660 20 0 CHADMP CC(C)=CCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000564304656 334039749 /nfs/dbraw/zinc/03/97/49/334039749.db2.gz MEHMVYNVPUSEQN-HKUYNNGSSA-N 2 1 286.463 3.843 20 0 CHADMP CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000078005371 334120285 /nfs/dbraw/zinc/12/02/85/334120285.db2.gz SVEVILMLJCIZTN-APWZRJJASA-N 2 1 286.463 3.819 20 0 CHADMP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245430496 334192528 /nfs/dbraw/zinc/19/25/28/334192528.db2.gz AEQIYDFIRONYDC-HOTGVXAUSA-N 2 1 290.426 3.695 20 0 CHADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245430496 334192529 /nfs/dbraw/zinc/19/25/29/334192529.db2.gz AEQIYDFIRONYDC-HOTGVXAUSA-N 2 1 290.426 3.695 20 0 CHADMP C[C@H](c1cccc(Cl)c1)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000550238835 334216922 /nfs/dbraw/zinc/21/69/22/334216922.db2.gz MDBDWXQBTFPPIF-PBHICJAKSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000550238835 334216925 /nfs/dbraw/zinc/21/69/25/334216925.db2.gz MDBDWXQBTFPPIF-PBHICJAKSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000550238835 334216926 /nfs/dbraw/zinc/21/69/26/334216926.db2.gz MDBDWXQBTFPPIF-PBHICJAKSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000550238835 334216927 /nfs/dbraw/zinc/21/69/27/334216927.db2.gz MDBDWXQBTFPPIF-PBHICJAKSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000550238835 334216928 /nfs/dbraw/zinc/21/69/28/334216928.db2.gz MDBDWXQBTFPPIF-PBHICJAKSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000550238886 334216971 /nfs/dbraw/zinc/21/69/71/334216971.db2.gz OEBKMCDJISWXFN-YOEHRIQHSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000550238886 334216974 /nfs/dbraw/zinc/21/69/74/334216974.db2.gz OEBKMCDJISWXFN-YOEHRIQHSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000550238886 334216975 /nfs/dbraw/zinc/21/69/75/334216975.db2.gz OEBKMCDJISWXFN-YOEHRIQHSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000550238886 334216976 /nfs/dbraw/zinc/21/69/76/334216976.db2.gz OEBKMCDJISWXFN-YOEHRIQHSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000550238886 334216977 /nfs/dbraw/zinc/21/69/77/334216977.db2.gz OEBKMCDJISWXFN-YOEHRIQHSA-N 2 1 292.854 3.819 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC2CCC2)C3)cc1 ZINC000245788491 334219948 /nfs/dbraw/zinc/21/99/48/334219948.db2.gz ZVJIUVZLUFILMV-REPLKXPHSA-N 2 1 284.447 3.572 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000246996351 334273516 /nfs/dbraw/zinc/27/35/16/334273516.db2.gz KLAHBVARYCKHHI-DYVFJYSZSA-N 2 1 292.854 3.649 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000245917963 334223974 /nfs/dbraw/zinc/22/39/74/334223974.db2.gz FWDOFLLNBOUGFO-OWSLCNJRSA-N 2 1 278.484 3.808 20 0 CHADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)o1 ZINC000550619083 334225498 /nfs/dbraw/zinc/22/54/98/334225498.db2.gz KHOSTAGNECJQOX-IEBWSBKVSA-N 2 1 298.430 3.556 20 0 CHADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)o1 ZINC000550619083 334225499 /nfs/dbraw/zinc/22/54/99/334225499.db2.gz KHOSTAGNECJQOX-IEBWSBKVSA-N 2 1 298.430 3.556 20 0 CHADMP CCCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000247019932 334273949 /nfs/dbraw/zinc/27/39/49/334273949.db2.gz UMNVSWOVYZLOCA-MAUKXSAKSA-N 2 1 274.452 3.554 20 0 CHADMP CCCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000247019932 334273950 /nfs/dbraw/zinc/27/39/50/334273950.db2.gz UMNVSWOVYZLOCA-MAUKXSAKSA-N 2 1 274.452 3.554 20 0 CHADMP CCCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247019932 334273952 /nfs/dbraw/zinc/27/39/52/334273952.db2.gz UMNVSWOVYZLOCA-MAUKXSAKSA-N 2 1 274.452 3.554 20 0 CHADMP CCCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000247019932 334273953 /nfs/dbraw/zinc/27/39/53/334273953.db2.gz UMNVSWOVYZLOCA-MAUKXSAKSA-N 2 1 274.452 3.554 20 0 CHADMP CC1=CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000550934386 334234318 /nfs/dbraw/zinc/23/43/18/334234318.db2.gz BUIGAHCMAUTOAB-WMZOPIPTSA-N 2 1 276.468 3.872 20 0 CHADMP Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000551000064 334236033 /nfs/dbraw/zinc/23/60/33/334236033.db2.gz ZEEGJDRAXWNDDJ-UXHICEINSA-N 2 1 294.442 3.920 20 0 CHADMP Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000551000064 334236034 /nfs/dbraw/zinc/23/60/34/334236034.db2.gz ZEEGJDRAXWNDDJ-UXHICEINSA-N 2 1 294.442 3.920 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]CC2CC(C)(C)C2)C[C@H]1c1ccccc1 ZINC000551176371 334240097 /nfs/dbraw/zinc/24/00/97/334240097.db2.gz SYYSYQVCKKZILW-ROUUACIJSA-N 2 1 286.463 3.848 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC2CC(C)(C)C2)C[C@H]1c1ccccc1 ZINC000551176371 334240098 /nfs/dbraw/zinc/24/00/98/334240098.db2.gz SYYSYQVCKKZILW-ROUUACIJSA-N 2 1 286.463 3.848 20 0 CHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3F)CC2)C1 ZINC000551309116 334246296 /nfs/dbraw/zinc/24/62/96/334246296.db2.gz ZPSWHTJVTYNZGZ-BSWAZPDLSA-N 2 1 282.447 3.510 20 0 CHADMP CCSc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247156235 334276650 /nfs/dbraw/zinc/27/66/50/334276650.db2.gz XLNWJCIKHAXCTA-OFQRWUPVSA-N 2 1 292.492 3.932 20 0 CHADMP CCSc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000247156235 334276652 /nfs/dbraw/zinc/27/66/52/334276652.db2.gz XLNWJCIKHAXCTA-OFQRWUPVSA-N 2 1 292.492 3.932 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)Cc2ccccc2)[C@@H](C)C1 ZINC000246361242 334253731 /nfs/dbraw/zinc/25/37/31/334253731.db2.gz IMJJEJJLKQLKDT-WMZOPIPTSA-N 2 1 288.479 3.575 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC000247116059 334275999 /nfs/dbraw/zinc/27/59/99/334275999.db2.gz UFIIKVQODBVLKB-HUUCEWRRSA-N 2 1 278.415 3.597 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccs2)C1 ZINC000246493633 334260034 /nfs/dbraw/zinc/26/00/34/334260034.db2.gz SAPXAAHAVSPZAI-CABCVRRESA-N 2 1 280.481 3.767 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000246647980 334266275 /nfs/dbraw/zinc/26/62/75/334266275.db2.gz SQYRPQVHQALPTF-DLBZAZTESA-N 2 1 275.440 3.626 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000246647980 334266276 /nfs/dbraw/zinc/26/62/76/334266276.db2.gz SQYRPQVHQALPTF-DLBZAZTESA-N 2 1 275.440 3.626 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](CCc2ccccc2)C(C)C)C1 ZINC000247173817 334276951 /nfs/dbraw/zinc/27/69/51/334276951.db2.gz USUJAXFABLETAM-RTBURBONSA-N 2 1 288.479 3.575 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cccs1 ZINC000247167045 334277035 /nfs/dbraw/zinc/27/70/35/334277035.db2.gz ULNKCFNSSHZOAY-LSDHHAIUSA-N 2 1 280.481 3.911 20 0 CHADMP C[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000552048964 334281478 /nfs/dbraw/zinc/28/14/78/334281478.db2.gz FZXMMFONQREKTI-NXWXRZEISA-N 2 1 286.463 3.643 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2oc3ccccc3c2C)[C@@H](C)C1 ZINC000248139441 334295571 /nfs/dbraw/zinc/29/55/71/334295571.db2.gz PMHMNRLQDVCAGP-BBRMVZONSA-N 2 1 286.419 3.561 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2oc3ccccc3c2C)[C@@H](C)C1 ZINC000248139441 334295572 /nfs/dbraw/zinc/29/55/72/334295572.db2.gz PMHMNRLQDVCAGP-BBRMVZONSA-N 2 1 286.419 3.561 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)c2ccccc2C)C1 ZINC000248147784 334295936 /nfs/dbraw/zinc/29/59/36/334295936.db2.gz QJWYENWLEKEFIT-IAGOWNOFSA-N 2 1 274.452 3.720 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248406658 334300248 /nfs/dbraw/zinc/30/02/48/334300248.db2.gz SRSNCUSBUFXBTA-CAOSSQGBSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000248467456 334303271 /nfs/dbraw/zinc/30/32/71/334303271.db2.gz STOUPHCMHDOUIF-HOTGVXAUSA-N 2 1 274.452 3.755 20 0 CHADMP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000552246410 334307875 /nfs/dbraw/zinc/30/78/75/334307875.db2.gz TWRPYMVAVKPYHQ-NNXHMXCWSA-N 2 1 296.524 3.513 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000552248727 334308618 /nfs/dbraw/zinc/30/86/18/334308618.db2.gz QWCKWZYFQGGAGQ-UFYCRDLUSA-N 2 1 294.442 3.802 20 0 CHADMP CCC[N@H+]1CC[C@H](CN[C@H](C)c2csc(Cl)c2)C1 ZINC000248692027 334313625 /nfs/dbraw/zinc/31/36/25/334313625.db2.gz JLZJLIOQMWULTP-VXGBXAGGSA-N 2 1 286.872 3.784 20 0 CHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2csc(Cl)c2)C1 ZINC000248692027 334313626 /nfs/dbraw/zinc/31/36/26/334313626.db2.gz JLZJLIOQMWULTP-VXGBXAGGSA-N 2 1 286.872 3.784 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2csc(Cl)c2)C1 ZINC000248692027 334313627 /nfs/dbraw/zinc/31/36/27/334313627.db2.gz JLZJLIOQMWULTP-VXGBXAGGSA-N 2 1 286.872 3.784 20 0 CHADMP Cc1cc(Cl)ccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248765736 334316741 /nfs/dbraw/zinc/31/67/41/334316741.db2.gz WZODALKXZCAZNP-BBRMVZONSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(Cl)ccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248765736 334316742 /nfs/dbraw/zinc/31/67/42/334316742.db2.gz WZODALKXZCAZNP-BBRMVZONSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(Cl)ccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000248765736 334316744 /nfs/dbraw/zinc/31/67/44/334316744.db2.gz WZODALKXZCAZNP-BBRMVZONSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000248765736 334316746 /nfs/dbraw/zinc/31/67/46/334316746.db2.gz WZODALKXZCAZNP-BBRMVZONSA-N 2 1 280.843 3.563 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000552324908 334317193 /nfs/dbraw/zinc/31/71/93/334317193.db2.gz MOKHSSATWKATFR-DBDQLMEASA-N 2 1 284.447 3.570 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000552338503 334318099 /nfs/dbraw/zinc/31/80/99/334318099.db2.gz GHXDKMVUKPWYRK-JZXOWHBKSA-N 2 1 274.452 3.643 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000552338503 334318101 /nfs/dbraw/zinc/31/81/01/334318101.db2.gz GHXDKMVUKPWYRK-JZXOWHBKSA-N 2 1 274.452 3.643 20 0 CHADMP C[C@H](CCC1CC1)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248971558 334323601 /nfs/dbraw/zinc/32/36/01/334323601.db2.gz GQYDRUHKGQBFHQ-INMHGKMJSA-N 2 1 278.484 3.808 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCC23CCCC3)C1 ZINC000249154548 334328980 /nfs/dbraw/zinc/32/89/80/334328980.db2.gz YKFCYKUZZFFAGE-SJORKVTESA-N 2 1 278.484 3.811 20 0 CHADMP CCC[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000249272199 334330696 /nfs/dbraw/zinc/33/06/96/334330696.db2.gz KSBDOPCSOLVTRR-SJLPKXTDSA-N 2 1 274.452 3.629 20 0 CHADMP CCC[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249272199 334330697 /nfs/dbraw/zinc/33/06/97/334330697.db2.gz KSBDOPCSOLVTRR-SJLPKXTDSA-N 2 1 274.452 3.629 20 0 CHADMP CCC[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000249272199 334330699 /nfs/dbraw/zinc/33/06/99/334330699.db2.gz KSBDOPCSOLVTRR-SJLPKXTDSA-N 2 1 274.452 3.629 20 0 CHADMP CC[C@H](C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)[NH+]1CCCC1 ZINC000249284427 334331442 /nfs/dbraw/zinc/33/14/42/334331442.db2.gz OTCBBMPHBZOBQN-MGPQQGTHSA-N 2 1 292.389 3.572 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000089541545 334346410 /nfs/dbraw/zinc/34/64/10/334346410.db2.gz NVWDVFDORMXLII-CPUCHLNUSA-N 2 1 294.870 3.591 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000250900404 334353085 /nfs/dbraw/zinc/35/30/85/334353085.db2.gz NDKLBGVATGHATI-WQVCFCJDSA-N 2 1 278.827 3.617 20 0 CHADMP Cc1cc2ccccc2nc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250927048 334353494 /nfs/dbraw/zinc/35/34/94/334353494.db2.gz SVVWYJYSLNBPAA-HOTGVXAUSA-N 2 1 281.403 3.582 20 0 CHADMP COc1cccc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1 ZINC000252094308 334373470 /nfs/dbraw/zinc/37/34/70/334373470.db2.gz FDXRLHVYSHFSOA-HZPDHXFCSA-N 2 1 290.451 3.610 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](CC(C)C)c2ccccc2)C1 ZINC000252438743 334380070 /nfs/dbraw/zinc/38/00/70/334380070.db2.gz FZZYYOODDSSKCO-FUHWJXTLSA-N 2 1 274.452 3.705 20 0 CHADMP Clc1cc(Cl)cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252674364 334385211 /nfs/dbraw/zinc/38/52/11/334385211.db2.gz QOWAVWQDHLBWKK-CABCVRRESA-N 2 1 299.245 3.710 20 0 CHADMP Clc1cc(Cl)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252674364 334385212 /nfs/dbraw/zinc/38/52/12/334385212.db2.gz QOWAVWQDHLBWKK-CABCVRRESA-N 2 1 299.245 3.710 20 0 CHADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCCc3sccc32)c2ccccc21 ZINC000252776020 334392416 /nfs/dbraw/zinc/39/24/16/334392416.db2.gz KIPFUDFGXIJTNK-OWCLPIDISA-N 2 1 284.428 3.860 20 0 CHADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252875238 334398296 /nfs/dbraw/zinc/39/82/96/334398296.db2.gz VOVIANUQEVYEBY-LESCFKLSSA-N 2 1 296.817 3.599 20 0 CHADMP CSc1ccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)s1 ZINC000565510453 334569924 /nfs/dbraw/zinc/56/99/24/334569924.db2.gz XMLBPSQSJLSQFS-UHFFFAOYSA-N 2 1 298.521 3.680 20 0 CHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]CC2(C)CC2)CC1 ZINC000565692274 334587853 /nfs/dbraw/zinc/58/78/53/334587853.db2.gz HMFBTUHYIUDWGO-OAHLLOKOSA-N 2 1 272.436 3.602 20 0 CHADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000567639437 334745102 /nfs/dbraw/zinc/74/51/02/334745102.db2.gz PCSCJZIPJXCIJV-AWEZNQCLSA-N 2 1 272.392 3.597 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000275440841 334790272 /nfs/dbraw/zinc/79/02/72/334790272.db2.gz FIBGBYJXISHKEG-ATZDWAIDSA-N 2 1 297.446 3.754 20 0 CHADMP CCCC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000344299712 335246464 /nfs/dbraw/zinc/24/64/64/335246464.db2.gz PLCMSIPGAKGPRJ-SFHVURJKSA-N 2 1 272.436 3.769 20 0 CHADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CCC1CCCCCC1 ZINC000577146996 335308633 /nfs/dbraw/zinc/30/86/33/335308633.db2.gz WDUSSAPQSTYYJS-RDJZCZTQSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CCC1CCCCCC1 ZINC000577146996 335308635 /nfs/dbraw/zinc/30/86/35/335308635.db2.gz WDUSSAPQSTYYJS-RDJZCZTQSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CCC1CCCCCC1 ZINC000577146996 335308636 /nfs/dbraw/zinc/30/86/36/335308636.db2.gz WDUSSAPQSTYYJS-RDJZCZTQSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CCC1CCCCCC1 ZINC000577146996 335308638 /nfs/dbraw/zinc/30/86/38/335308638.db2.gz WDUSSAPQSTYYJS-RDJZCZTQSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)CCC1CCCCCC1 ZINC000577146994 335308871 /nfs/dbraw/zinc/30/88/71/335308871.db2.gz WDUSSAPQSTYYJS-DOTOQJQBSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CCC1CCCCCC1 ZINC000577146994 335308872 /nfs/dbraw/zinc/30/88/72/335308872.db2.gz WDUSSAPQSTYYJS-DOTOQJQBSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)CCC1CCCCCC1 ZINC000577146994 335308873 /nfs/dbraw/zinc/30/88/73/335308873.db2.gz WDUSSAPQSTYYJS-DOTOQJQBSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CCC1CCCCCC1 ZINC000577146994 335308874 /nfs/dbraw/zinc/30/88/74/335308874.db2.gz WDUSSAPQSTYYJS-DOTOQJQBSA-N 2 1 266.473 3.619 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000192947287 335329040 /nfs/dbraw/zinc/32/90/40/335329040.db2.gz KWNIVFRXWAOBRM-IAGOWNOFSA-N 2 1 278.484 3.833 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CCc1ccc(C)cc1 ZINC000178695599 335445753 /nfs/dbraw/zinc/44/57/53/335445753.db2.gz LYROXRBOSRNPIU-IRXDYDNUSA-N 2 1 299.462 3.747 20 0 CHADMP C[C@@H](CC[NH2+][C@@H](C)c1ccsc1)[NH+]1CCCCC1 ZINC000184501800 335927530 /nfs/dbraw/zinc/92/75/30/335927530.db2.gz IYUBWXPFCPJELF-KBPBESRZSA-N 2 1 266.454 3.663 20 0 CHADMP Cc1ccc2cc[nH+]c(NCC3CC[NH+](C4CC4)CC3)c2c1 ZINC000581068893 336003555 /nfs/dbraw/zinc/00/35/55/336003555.db2.gz JHRQPOBURIZKCH-UHFFFAOYSA-N 2 1 295.430 3.830 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cs1 ZINC000381326281 336059316 /nfs/dbraw/zinc/05/93/16/336059316.db2.gz AEJSXGWZQSUQKF-DZGCQCFKSA-N 2 1 280.481 3.972 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cs1 ZINC000381326281 336059317 /nfs/dbraw/zinc/05/93/17/336059317.db2.gz AEJSXGWZQSUQKF-DZGCQCFKSA-N 2 1 280.481 3.972 20 0 CHADMP C[C@H]([NH2+][C@H]1CCC[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381777874 336072815 /nfs/dbraw/zinc/07/28/15/336072815.db2.gz XBNNELJWHZVWMC-JFRXWTBNSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H]1CCC[C@@H](CC[NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000352760367 533746791 /nfs/dbraw/zinc/74/67/91/533746791.db2.gz PBLTZPRUMGQOSJ-KGLIPLIRSA-N 2 1 295.496 3.511 20 0 CHADMP C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277356965 518443210 /nfs/dbraw/zinc/44/32/10/518443210.db2.gz FABYXFKGDIQEMM-ZWFBASDOSA-N 2 1 272.436 3.506 20 0 CHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(Cl)cn2)C1 ZINC000274880334 519677808 /nfs/dbraw/zinc/67/78/08/519677808.db2.gz HJJRIDYJPJGONG-ZIAGYGMSSA-N 2 1 295.858 3.506 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(Cl)cn2)C1 ZINC000274880334 519677810 /nfs/dbraw/zinc/67/78/10/519677810.db2.gz HJJRIDYJPJGONG-ZIAGYGMSSA-N 2 1 295.858 3.506 20 0 CHADMP CC(C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000126798010 519792316 /nfs/dbraw/zinc/79/23/16/519792316.db2.gz NRPVQBCXJSLQPC-CABCVRRESA-N 2 1 280.481 3.594 20 0 CHADMP CC(C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000126798010 519792317 /nfs/dbraw/zinc/79/23/17/519792317.db2.gz NRPVQBCXJSLQPC-CABCVRRESA-N 2 1 280.481 3.594 20 0 CHADMP CC(C)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000126798465 519792339 /nfs/dbraw/zinc/79/23/39/519792339.db2.gz NRPVQBCXJSLQPC-HUUCEWRRSA-N 2 1 280.481 3.594 20 0 CHADMP CC(C)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000126798465 519792340 /nfs/dbraw/zinc/79/23/40/519792340.db2.gz NRPVQBCXJSLQPC-HUUCEWRRSA-N 2 1 280.481 3.594 20 0 CHADMP CC(C)c1ccc([C@@H](C)[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000044527962 519839230 /nfs/dbraw/zinc/83/92/30/519839230.db2.gz OMWGBVDAZZWZOQ-HUUCEWRRSA-N 2 1 260.425 3.542 20 0 CHADMP CC(C)c1ccc([C@H](C)[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000044527963 519839807 /nfs/dbraw/zinc/83/98/07/519839807.db2.gz OMWGBVDAZZWZOQ-LSDHHAIUSA-N 2 1 260.425 3.542 20 0 CHADMP CC(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000275491057 519839974 /nfs/dbraw/zinc/83/99/74/519839974.db2.gz JBICBQWVYJAYKN-HOTGVXAUSA-N 2 1 297.446 3.920 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000076003189 520727076 /nfs/dbraw/zinc/72/70/76/520727076.db2.gz JALBJTIIRWFHGH-GJZGRUSLSA-N 2 1 278.415 3.550 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000076003189 520727088 /nfs/dbraw/zinc/72/70/88/520727088.db2.gz JALBJTIIRWFHGH-GJZGRUSLSA-N 2 1 278.415 3.550 20 0 CHADMP CCC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1cccs1 ZINC000049540916 520771911 /nfs/dbraw/zinc/77/19/11/520771911.db2.gz ZXRWHFBGPJMMFG-CQSZACIVSA-N 2 1 266.454 3.663 20 0 CHADMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC000081584824 521492418 /nfs/dbraw/zinc/49/24/18/521492418.db2.gz ZYPAQEPIVNKNGM-GJZGRUSLSA-N 2 1 278.415 3.550 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC000081584824 521492424 /nfs/dbraw/zinc/49/24/24/521492424.db2.gz ZYPAQEPIVNKNGM-GJZGRUSLSA-N 2 1 278.415 3.550 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000081584824 521492429 /nfs/dbraw/zinc/49/24/29/521492429.db2.gz ZYPAQEPIVNKNGM-GJZGRUSLSA-N 2 1 278.415 3.550 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000081584824 521492434 /nfs/dbraw/zinc/49/24/34/521492434.db2.gz ZYPAQEPIVNKNGM-GJZGRUSLSA-N 2 1 278.415 3.550 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CC(c3ccc(Cl)cc3)C2)C1 ZINC000037644378 521710436 /nfs/dbraw/zinc/71/04/36/521710436.db2.gz BSPJABYFHHNXSH-KTAKPFMOSA-N 2 1 292.854 3.517 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2C[C@H](C)Sc3sccc32)C1 ZINC000130351777 521711224 /nfs/dbraw/zinc/71/12/24/521711224.db2.gz PXDPUMRDVMYDQR-SGMGOOAPSA-N 2 1 296.505 3.605 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@H+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000277340281 522043459 /nfs/dbraw/zinc/04/34/59/522043459.db2.gz WBACWUHTIZXAOD-SJLPKXTDSA-N 2 1 290.426 3.619 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@H+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000277340286 522096774 /nfs/dbraw/zinc/09/67/74/522096774.db2.gz WBACWUHTIZXAOD-WMZOPIPTSA-N 2 1 290.426 3.619 20 0 CHADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cnc(C2CCCC2)s1 ZINC000352546518 534647643 /nfs/dbraw/zinc/64/76/43/534647643.db2.gz WHUSWZOQSIAWNW-AWEZNQCLSA-N 2 1 293.480 3.504 20 0 CHADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cnc(C2CCCC2)s1 ZINC000352546518 534647650 /nfs/dbraw/zinc/64/76/50/534647650.db2.gz WHUSWZOQSIAWNW-AWEZNQCLSA-N 2 1 293.480 3.504 20 0 CHADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(C(F)F)c3)CC[C@H]21 ZINC000279736581 523833506 /nfs/dbraw/zinc/83/35/06/523833506.db2.gz OKHZQUWPVDPDTK-HZPDHXFCSA-N 2 1 294.389 3.540 20 0 CHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(C(F)F)c3)CC[C@H]21 ZINC000279736581 523833513 /nfs/dbraw/zinc/83/35/13/523833513.db2.gz OKHZQUWPVDPDTK-HZPDHXFCSA-N 2 1 294.389 3.540 20 0 CHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(C(F)F)c3)CC[C@H]21 ZINC000279736581 523833519 /nfs/dbraw/zinc/83/35/19/523833519.db2.gz OKHZQUWPVDPDTK-HZPDHXFCSA-N 2 1 294.389 3.540 20 0 CHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(C(F)F)c3)CC[C@H]21 ZINC000279736581 523833529 /nfs/dbraw/zinc/83/35/29/523833529.db2.gz OKHZQUWPVDPDTK-HZPDHXFCSA-N 2 1 294.389 3.540 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(Cl)o1 ZINC000340424513 524101902 /nfs/dbraw/zinc/10/19/02/524101902.db2.gz FOOQXIDNQWQFBY-CYBMUJFWSA-N 2 1 284.831 3.677 20 0 CHADMP Cc1cccc(NCc2cccc(C[NH+]3CCCC3)c2)[nH+]1 ZINC000157029206 524687355 /nfs/dbraw/zinc/68/73/55/524687355.db2.gz ZAFXWLDHJXBNEL-UHFFFAOYSA-N 2 1 281.403 3.598 20 0 CHADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cn1)C[NH+]1CCCCC1 ZINC000274821003 524748679 /nfs/dbraw/zinc/74/86/79/524748679.db2.gz BSDVOIFKFTVLJJ-KBPBESRZSA-N 2 1 295.858 3.508 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2CC(c3ccccc3Cl)C2)CC[N@@H+]1C ZINC000157657789 525436731 /nfs/dbraw/zinc/43/67/31/525436731.db2.gz BWLPWQYEYQLUPC-FEWQNLEASA-N 2 1 292.854 3.658 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2CC(c3ccccc3Cl)C2)CC[N@H+]1C ZINC000157657789 525436741 /nfs/dbraw/zinc/43/67/41/525436741.db2.gz BWLPWQYEYQLUPC-FEWQNLEASA-N 2 1 292.854 3.658 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C)c3ccccc32)CC[N@@H+]1C ZINC000126784747 525448070 /nfs/dbraw/zinc/44/80/70/525448070.db2.gz WAESCGOZOUAQAS-BORJPKMPSA-N 2 1 272.436 3.697 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C)c3ccccc32)CC[N@H+]1C ZINC000126784747 525448080 /nfs/dbraw/zinc/44/80/80/525448080.db2.gz WAESCGOZOUAQAS-BORJPKMPSA-N 2 1 272.436 3.697 20 0 CHADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1nccc2ccccc21 ZINC000290710531 525610978 /nfs/dbraw/zinc/61/09/78/525610978.db2.gz NWQOKUWXXMBAEB-BHYGNILZSA-N 2 1 297.446 3.758 20 0 CHADMP Cc1ccc([C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C2CC2)cc1 ZINC000037648850 525775769 /nfs/dbraw/zinc/77/57/69/525775769.db2.gz UODNGVXQSFUFQB-DNVCBOLYSA-N 2 1 284.447 3.520 20 0 CHADMP Cc1c2ccccc2oc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000248151194 525985142 /nfs/dbraw/zinc/98/51/42/525985142.db2.gz QUQXJRVABUDWKB-XJKCOSOUSA-N 2 1 286.419 3.560 20 0 CHADMP Cc1c2ccccc2oc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000248151194 525985152 /nfs/dbraw/zinc/98/51/52/525985152.db2.gz QUQXJRVABUDWKB-XJKCOSOUSA-N 2 1 286.419 3.560 20 0 CHADMP CSc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000088163796 526001680 /nfs/dbraw/zinc/00/16/80/526001680.db2.gz USSAUVQRVZJCLG-MQVJKMGUSA-N 2 1 290.476 3.513 20 0 CHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc[nH]c1 ZINC000086251011 526251559 /nfs/dbraw/zinc/25/15/59/526251559.db2.gz CYKDJBRWZNMPSD-INIZCTEOSA-N 2 1 297.446 3.679 20 0 CHADMP c1cc(C2CCC2)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339189592 526417550 /nfs/dbraw/zinc/41/75/50/526417550.db2.gz LEKFOYHDXTVZDR-RBUKOAKNSA-N 2 1 284.447 3.671 20 0 CHADMP c1ccc([C@@H]2CC[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000130341456 526492758 /nfs/dbraw/zinc/49/27/58/526492758.db2.gz XNBRYFCXUYQHDG-AEFFLSMTSA-N 2 1 284.447 3.539 20 0 CHADMP Cc1oc2ccccc2c1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000290395753 526785991 /nfs/dbraw/zinc/78/59/91/526785991.db2.gz JBEVLEWOYNJBDR-CXAGYDPISA-N 2 1 286.419 3.513 20 0 CHADMP Cc1oc2ccccc2c1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000290395753 526785993 /nfs/dbraw/zinc/78/59/93/526785993.db2.gz JBEVLEWOYNJBDR-CXAGYDPISA-N 2 1 286.419 3.513 20 0 CHADMP Cc1oc2ccccc2c1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000290395753 526786000 /nfs/dbraw/zinc/78/60/00/526786000.db2.gz JBEVLEWOYNJBDR-CXAGYDPISA-N 2 1 286.419 3.513 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000290395753 526786003 /nfs/dbraw/zinc/78/60/03/526786003.db2.gz JBEVLEWOYNJBDR-CXAGYDPISA-N 2 1 286.419 3.513 20 0 CHADMP Clc1csc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000278418983 527002400 /nfs/dbraw/zinc/00/24/00/527002400.db2.gz IFQGMHFWKICLEL-UHFFFAOYSA-N 2 1 281.812 3.504 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000275468889 527424270 /nfs/dbraw/zinc/42/42/70/527424270.db2.gz INFSHEKVZIIBJZ-ROUUACIJSA-N 2 1 283.419 3.508 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3C)C2)[C@H](C)C1 ZINC000366976255 527809536 /nfs/dbraw/zinc/80/95/36/527809536.db2.gz YDRRZKXYZJMRTR-YWTNHNAXSA-N 2 1 286.463 3.561 20 0 CHADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc3occc3c2)C1 ZINC000347858895 527849766 /nfs/dbraw/zinc/84/97/66/527849766.db2.gz POSPXHUEBVJUQE-MRXNPFEDSA-N 2 1 286.419 3.597 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3occc3c2)C1 ZINC000347858895 527849768 /nfs/dbraw/zinc/84/97/68/527849768.db2.gz POSPXHUEBVJUQE-MRXNPFEDSA-N 2 1 286.419 3.597 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3occc3c2)C1 ZINC000347858895 527849769 /nfs/dbraw/zinc/84/97/69/527849769.db2.gz POSPXHUEBVJUQE-MRXNPFEDSA-N 2 1 286.419 3.597 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3occc3c2)C1 ZINC000347858895 527849773 /nfs/dbraw/zinc/84/97/73/527849773.db2.gz POSPXHUEBVJUQE-MRXNPFEDSA-N 2 1 286.419 3.597 20 0 CHADMP CCCC1CCC([NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000352777129 528078296 /nfs/dbraw/zinc/07/82/96/528078296.db2.gz AKCJNTPPQFDGLP-UHFFFAOYSA-N 2 1 295.496 3.653 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2cccc(C)c2)C1 ZINC000353525335 528254917 /nfs/dbraw/zinc/25/49/17/528254917.db2.gz YINCEHORGCMJOV-WMZOPIPTSA-N 2 1 274.452 3.768 20 0 CHADMP CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352828403 528874506 /nfs/dbraw/zinc/87/45/06/528874506.db2.gz UZKYWNZPGOMMLF-UKRRQHHQSA-N 2 1 295.496 3.653 20 0 CHADMP Cc1c[nH+]c(N2CCCC[C@@H]2CC[NH+]2CCCC2)cc1C ZINC001165049073 721976607 /nfs/dbraw/zinc/97/66/07/721976607.db2.gz MLNYGMATDQXJLK-QGZVFWFLSA-N 2 1 287.451 3.543 20 0 CHADMP CCC(C)(C)C1CCC([NH2+][C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396562951 1117804578 /nfs/dbraw/zinc/80/45/78/1117804578.db2.gz UIYNTWQEWVQLFA-LMPOIIKSSA-N 2 1 266.473 3.712 20 0 CHADMP C[C@@H](CCC(C)(C)C)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000671295787 1117811465 /nfs/dbraw/zinc/81/14/65/1117811465.db2.gz ZLIHRYZREIAQQX-GJZGRUSLSA-N 2 1 266.473 3.808 20 0 CHADMP C[C@@H](CC[N@H+]1CCC2(C1)CC[NH+](C)CC2)CC(C)(C)C ZINC001208663609 1117902655 /nfs/dbraw/zinc/90/26/55/1117902655.db2.gz JCZUWCBSEUTZLH-INIZCTEOSA-N 2 1 280.500 3.867 20 0 CHADMP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000579877965 1117979759 /nfs/dbraw/zinc/97/97/59/1117979759.db2.gz YMOACVAIBDUHCM-ULQDDVLXSA-N 2 1 268.489 3.911 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000131389077 1125492109 /nfs/dbraw/zinc/49/21/09/1125492109.db2.gz UKKRNAITUJEZSM-HNNXBMFYSA-N 2 1 296.455 3.684 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(Cl)c2)C1 ZINC000151119321 1119400539 /nfs/dbraw/zinc/40/05/39/1119400539.db2.gz CXKVEIQPSKWGOU-KBPBESRZSA-N 2 1 280.843 3.723 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCCC1 ZINC000250902660 1119553239 /nfs/dbraw/zinc/55/32/39/1119553239.db2.gz OUMMPHCMRKBIQX-OIISXLGYSA-N 2 1 264.457 3.562 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000348300917 1125499110 /nfs/dbraw/zinc/49/91/10/1125499110.db2.gz DQSBCENVEHMAEK-UHFFFAOYSA-N 2 1 297.446 3.765 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000348300917 1125499113 /nfs/dbraw/zinc/49/91/13/1125499113.db2.gz DQSBCENVEHMAEK-UHFFFAOYSA-N 2 1 297.446 3.765 20 0 CHADMP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccsc1 ZINC000050339210 1125502723 /nfs/dbraw/zinc/50/27/23/1125502723.db2.gz FKMMUTNQBWKMEJ-CQSZACIVSA-N 2 1 266.454 3.521 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)[C@H]1CC1(C)C ZINC000414111334 1119902144 /nfs/dbraw/zinc/90/21/44/1119902144.db2.gz IYKZWWOTWWFCER-XHSDSOJGSA-N 2 1 266.473 3.521 20 0 CHADMP CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467861 1120981792 /nfs/dbraw/zinc/98/17/92/1120981792.db2.gz IIMJNEXYMLJVTI-WMZOPIPTSA-N 2 1 278.484 3.833 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC001178831033 1121821492 /nfs/dbraw/zinc/82/14/92/1121821492.db2.gz FMQUFFQSQHQXRW-XHSDSOJGSA-N 2 1 268.489 3.911 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC001178831033 1121821499 /nfs/dbraw/zinc/82/14/99/1121821499.db2.gz FMQUFFQSQHQXRW-XHSDSOJGSA-N 2 1 268.489 3.911 20 0 CHADMP CCC[C@H](C)CCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001194519086 1122779183 /nfs/dbraw/zinc/77/91/83/1122779183.db2.gz GYNWFOZFXFEODO-IRXDYDNUSA-N 2 1 266.473 3.621 20 0 CHADMP CCC[C@H](C)CCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001194519086 1122779187 /nfs/dbraw/zinc/77/91/87/1122779187.db2.gz GYNWFOZFXFEODO-IRXDYDNUSA-N 2 1 266.473 3.621 20 0 CHADMP CCC[NH+]([C@H](C)CC)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172114220 1132131598 /nfs/dbraw/zinc/13/15/98/1132131598.db2.gz PKJSXDJKWYWMQE-LVQVYYBASA-N 2 1 252.446 3.512 20 0 CHADMP CCC[NH+]([C@H](C)CC)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172114220 1132131604 /nfs/dbraw/zinc/13/16/04/1132131604.db2.gz PKJSXDJKWYWMQE-LVQVYYBASA-N 2 1 252.446 3.512 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCC(C)(C)CC1)C2 ZINC001172116272 1132132294 /nfs/dbraw/zinc/13/22/94/1132132294.db2.gz GEEIETIFWHKULP-PHZGNYQRSA-N 2 1 264.457 3.560 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCC(C)(C)CC1)C2 ZINC001172116272 1132132296 /nfs/dbraw/zinc/13/22/96/1132132296.db2.gz GEEIETIFWHKULP-PHZGNYQRSA-N 2 1 264.457 3.560 20 0 CHADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)C1 ZINC001172368805 1132194578 /nfs/dbraw/zinc/19/45/78/1132194578.db2.gz JJLOUKVLCVDWRV-FPCVCCKLSA-N 2 1 266.473 3.664 20 0 CHADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)C1 ZINC001172368805 1132194581 /nfs/dbraw/zinc/19/45/81/1132194581.db2.gz JJLOUKVLCVDWRV-FPCVCCKLSA-N 2 1 266.473 3.664 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205902588 1133629060 /nfs/dbraw/zinc/62/90/60/1133629060.db2.gz KSIXHALIWPXQDF-PPPANMTLSA-N 2 1 266.473 3.962 20 0 CHADMP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(C)c1Cl ZINC001206807257 1133750532 /nfs/dbraw/zinc/75/05/32/1133750532.db2.gz IBFPSLXNUKPUGS-GXTWGEPZSA-N 2 1 280.843 3.516 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001208194925 1133905201 /nfs/dbraw/zinc/90/52/01/1133905201.db2.gz TVVXXCFPZMGCQG-CHYADLBTSA-N 2 1 264.457 3.541 20 0 CHADMP CC/C=C\CCCCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001208194925 1133905204 /nfs/dbraw/zinc/90/52/04/1133905204.db2.gz TVVXXCFPZMGCQG-CHYADLBTSA-N 2 1 264.457 3.541 20 0 CHADMP CC/C=C\CCCCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001208194925 1133905210 /nfs/dbraw/zinc/90/52/10/1133905210.db2.gz TVVXXCFPZMGCQG-CHYADLBTSA-N 2 1 264.457 3.541 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(C)(C)c1ccccc1 ZINC000119647696 1125536058 /nfs/dbraw/zinc/53/60/58/1125536058.db2.gz STMYCLANSAPVFI-OAHLLOKOSA-N 2 1 286.463 3.569 20 0 CHADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000121441133 1125560449 /nfs/dbraw/zinc/56/04/49/1125560449.db2.gz WDWKMBOKVJTDKY-LSDHHAIUSA-N 2 1 263.429 3.552 20 0 CHADMP CC(C)[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000532770024 1125577081 /nfs/dbraw/zinc/57/70/81/1125577081.db2.gz QRAFOXPMYYSILZ-QZTJIDSGSA-N 2 1 274.452 3.848 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)CCC2 ZINC000245627341 1125585715 /nfs/dbraw/zinc/58/57/15/1125585715.db2.gz YTXUAEIGBBBYMV-OHDICMOHSA-N 2 1 286.463 3.691 20 0 CHADMP CC[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245733367 1125591975 /nfs/dbraw/zinc/59/19/75/1125591975.db2.gz QLIBEUKWDJTYOZ-LEUOFYLZSA-N 2 1 272.436 3.570 20 0 CHADMP c1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)co1 ZINC000245748996 1125593043 /nfs/dbraw/zinc/59/30/43/1125593043.db2.gz SZIWEBQEJQLNTJ-REPLKXPHSA-N 2 1 296.414 3.565 20 0 CHADMP c1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)co1 ZINC000245748996 1125593046 /nfs/dbraw/zinc/59/30/46/1125593046.db2.gz SZIWEBQEJQLNTJ-REPLKXPHSA-N 2 1 296.414 3.565 20 0 CHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](CC)c2ccccc2F)C1 ZINC000245988549 1125600721 /nfs/dbraw/zinc/60/07/21/1125600721.db2.gz QJOSFVUZDJTGEM-WMLDXEAASA-N 2 1 278.415 3.598 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)c2ccccc2F)C1 ZINC000245988549 1125600724 /nfs/dbraw/zinc/60/07/24/1125600724.db2.gz QJOSFVUZDJTGEM-WMLDXEAASA-N 2 1 278.415 3.598 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000246192579 1125609311 /nfs/dbraw/zinc/60/93/11/1125609311.db2.gz LIWIMHBMJLTZFX-WMLDXEAASA-N 2 1 290.476 3.505 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000246192579 1125609317 /nfs/dbraw/zinc/60/93/17/1125609317.db2.gz LIWIMHBMJLTZFX-WMLDXEAASA-N 2 1 290.476 3.505 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000246192579 1125609319 /nfs/dbraw/zinc/60/93/19/1125609319.db2.gz LIWIMHBMJLTZFX-WMLDXEAASA-N 2 1 290.476 3.505 20 0 CHADMP CC(C)(C)[NH+]1CCC([NH2+]C/C=C/c2cccc(F)c2)CC1 ZINC000885928049 1125627239 /nfs/dbraw/zinc/62/72/39/1125627239.db2.gz ZYAMZXAXGJHATQ-FNORWQNLSA-N 2 1 290.426 3.691 20 0 CHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccsc1 ZINC000252157796 1125702691 /nfs/dbraw/zinc/70/26/91/1125702691.db2.gz NPKIEIFBPNMDPY-ZIAGYGMSSA-N 2 1 266.454 3.663 20 0 CHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccsc1 ZINC000252157796 1125702699 /nfs/dbraw/zinc/70/26/99/1125702699.db2.gz NPKIEIFBPNMDPY-ZIAGYGMSSA-N 2 1 266.454 3.663 20 0 CHADMP Cc1[nH]c(C2CC[NH+]([C@@H](C)c3ccccc3)CC2)[nH+]c1C ZINC000886665948 1125704964 /nfs/dbraw/zinc/70/49/64/1125704964.db2.gz JYMXBPZJQMOCKT-HNNXBMFYSA-N 2 1 283.419 3.967 20 0 CHADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(C)c1 ZINC000285872672 1125717795 /nfs/dbraw/zinc/71/77/95/1125717795.db2.gz ZAUPPFGJFWWXNW-SFHVURJKSA-N 2 1 272.436 3.663 20 0 CHADMP CCCCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000037515594 1125724611 /nfs/dbraw/zinc/72/46/11/1125724611.db2.gz AXRHTWOHSWRYCP-UHFFFAOYSA-N 2 1 288.479 3.863 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)C(C)C)CC1 ZINC000162135820 1125735666 /nfs/dbraw/zinc/73/56/66/1125735666.db2.gz UUOZRWPULUNCEP-MRXNPFEDSA-N 2 1 274.452 3.594 20 0 CHADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cc(-c3ccccc3)cs2)C1 ZINC000261658140 1125737781 /nfs/dbraw/zinc/73/77/81/1125737781.db2.gz FMLXYYRQWBAPGP-QGZVFWFLSA-N 2 1 286.444 3.586 20 0 CHADMP CS[C@@H](C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000090725416 1125745205 /nfs/dbraw/zinc/74/52/05/1125745205.db2.gz MKAMMSBBDOIBJM-QWHCGFSZSA-N 2 1 289.448 3.583 20 0 CHADMP c1ccc([C@@H]2C[N@H+](CC3CC[NH2+]CC3)[C@@H]3CCCC[C@H]23)cc1 ZINC000261918464 1125748091 /nfs/dbraw/zinc/74/80/91/1125748091.db2.gz KDWUDZOZTYNOHU-HSALFYBXSA-N 2 1 298.474 3.644 20 0 CHADMP CCC[C@H](Cc1ccccc1)[NH2+]CCCn1cc[nH+]c1C ZINC000338016559 1126710536 /nfs/dbraw/zinc/71/05/36/1126710536.db2.gz CQYOZMLISSRPAQ-GOSISDBHSA-N 2 1 285.435 3.583 20 0 CHADMP CCc1ccc([C@H](CC)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000338019222 1126711442 /nfs/dbraw/zinc/71/14/42/1126711442.db2.gz PRRXKMUTKRIKIX-SFHVURJKSA-N 2 1 285.435 3.885 20 0 CHADMP CC(C)=CCC[C@H](C)CC[NH2+]CCCn1cc[nH+]c1C ZINC000338160026 1126721598 /nfs/dbraw/zinc/72/15/98/1126721598.db2.gz UMQHAUZVORCGCE-INIZCTEOSA-N 2 1 277.456 3.944 20 0 CHADMP CCC(CC)[N@@H+]([C@@H]1CC[C@@H](C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170116749 1130273890 /nfs/dbraw/zinc/27/38/90/1130273890.db2.gz GCSJHEWGAWBKLU-MUIFIZLQSA-N 2 1 266.473 3.936 20 0 CHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)[C@@H]1CCc2ccc(F)cc21 ZINC000483062962 1126766382 /nfs/dbraw/zinc/76/63/82/1126766382.db2.gz LFMSEUISFLKLOZ-FUHWJXTLSA-N 2 1 290.426 3.619 20 0 CHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@@H]1CCc2ccc(F)cc21 ZINC000483062962 1126766384 /nfs/dbraw/zinc/76/63/84/1126766384.db2.gz LFMSEUISFLKLOZ-FUHWJXTLSA-N 2 1 290.426 3.619 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCc2ccc(F)cc21 ZINC000483062962 1126766387 /nfs/dbraw/zinc/76/63/87/1126766387.db2.gz LFMSEUISFLKLOZ-FUHWJXTLSA-N 2 1 290.426 3.619 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CCc2ccc(F)cc21 ZINC000483062962 1126766389 /nfs/dbraw/zinc/76/63/89/1126766389.db2.gz LFMSEUISFLKLOZ-FUHWJXTLSA-N 2 1 290.426 3.619 20 0 CHADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)ccc3ccccc32)C1 ZINC000483216791 1126773142 /nfs/dbraw/zinc/77/31/42/1126773142.db2.gz BLXKLPUPTRKGCV-QGZVFWFLSA-N 2 1 296.458 3.922 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)ccc3ccccc32)C1 ZINC000483216791 1126773145 /nfs/dbraw/zinc/77/31/45/1126773145.db2.gz BLXKLPUPTRKGCV-QGZVFWFLSA-N 2 1 296.458 3.922 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)ccc3ccccc32)C1 ZINC000483216791 1126773149 /nfs/dbraw/zinc/77/31/49/1126773149.db2.gz BLXKLPUPTRKGCV-QGZVFWFLSA-N 2 1 296.458 3.922 20 0 CHADMP CC(C)[C@@H](C)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000483303145 1126779340 /nfs/dbraw/zinc/77/93/40/1126779340.db2.gz DBWXXQRYLXAVNR-NTDBWNAOSA-N 2 1 288.479 3.777 20 0 CHADMP CC1=C(C)C[NH+](C/C=C\C[N@H+]2CCC(C)=C(C)C2)CC1 ZINC000483336380 1126781646 /nfs/dbraw/zinc/78/16/46/1126781646.db2.gz DVJWQPYOECCTSZ-WAYWQWQTSA-N 2 1 274.452 3.627 20 0 CHADMP CC[C@@H]1C[N@H+]([C@@H](C)c2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000251784106 1126795229 /nfs/dbraw/zinc/79/52/29/1126795229.db2.gz NFNKSGIUELPXRH-QMTMVMCOSA-N 2 1 282.431 3.960 20 0 CHADMP CC[C@@H]1C[N@H+]([C@H](C)c2ccc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000251855810 1126797451 /nfs/dbraw/zinc/79/74/51/1126797451.db2.gz SGFIATYFLGOKKH-CLCXKQKWSA-N 2 1 282.431 3.960 20 0 CHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)nc2)C1 ZINC000179121499 1126824436 /nfs/dbraw/zinc/82/44/36/1126824436.db2.gz VPEJNSHLUFYGAI-UONOGXRCSA-N 2 1 295.858 3.506 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)nc2)C1 ZINC000179121499 1126824439 /nfs/dbraw/zinc/82/44/39/1126824439.db2.gz VPEJNSHLUFYGAI-UONOGXRCSA-N 2 1 295.858 3.506 20 0 CHADMP CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000181741651 1126860674 /nfs/dbraw/zinc/86/06/74/1126860674.db2.gz GTKCRORRHZHCMO-IRXDYDNUSA-N 2 1 298.434 3.634 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235039899 1130705430 /nfs/dbraw/zinc/70/54/30/1130705430.db2.gz JDCIVUFJSSVGOC-MSOLQXFVSA-N 2 1 278.484 3.977 20 0 CHADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(F)cc(Cl)c2)C[C@@H]1C ZINC000485687033 1126942961 /nfs/dbraw/zinc/94/29/61/1126942961.db2.gz VFKOTIDYXGSCQW-BLLLJJGKSA-N 2 1 298.833 3.784 20 0 CHADMP CCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccsc1 ZINC000191208470 1126948963 /nfs/dbraw/zinc/94/89/63/1126948963.db2.gz HLCSCXOAOCYUNW-DZGCQCFKSA-N 2 1 266.454 3.521 20 0 CHADMP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000668713211 1127012139 /nfs/dbraw/zinc/01/21/39/1127012139.db2.gz IVFVRDPVQFJSSF-NEWSRXKRSA-N 2 1 298.474 3.534 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000268776030 1127023566 /nfs/dbraw/zinc/02/35/66/1127023566.db2.gz BEJMHAKKSMLNKZ-HNNXBMFYSA-N 2 1 271.408 3.549 20 0 CHADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(F)cc1F ZINC000268901877 1127028269 /nfs/dbraw/zinc/02/82/69/1127028269.db2.gz WUZKLDNZVACMCK-MRXNPFEDSA-N 2 1 293.361 3.601 20 0 CHADMP Fc1ccc2c(c1)[C@H]([N@H+]1CCC[C@@H](c3ncc[nH]3)C1)CCC2 ZINC000270007949 1127048852 /nfs/dbraw/zinc/04/88/52/1127048852.db2.gz KNTSFMPCSFEQGO-RHSMWYFYSA-N 2 1 299.393 3.806 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000270655506 1127059800 /nfs/dbraw/zinc/05/98/00/1127059800.db2.gz NBYFMFBOVXUXQY-DYVFJYSZSA-N 2 1 299.418 3.573 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000270655506 1127059806 /nfs/dbraw/zinc/05/98/06/1127059806.db2.gz NBYFMFBOVXUXQY-DYVFJYSZSA-N 2 1 299.418 3.573 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000270919702 1127063978 /nfs/dbraw/zinc/06/39/78/1127063978.db2.gz UZRWAHVQXUWYHA-UHFFFAOYSA-N 2 1 289.810 3.514 20 0 CHADMP CCC[NH+](CCC)CCC[NH2+]Cc1cc(C)nc(Cl)c1 ZINC000797594435 1130996066 /nfs/dbraw/zinc/99/60/66/1130996066.db2.gz OSEYGURUHMDHAE-UHFFFAOYSA-N 2 1 297.874 3.645 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(F)cn1 ZINC000271288036 1127074202 /nfs/dbraw/zinc/07/42/02/1127074202.db2.gz DNPLEIMHASGEDU-LSDHHAIUSA-N 2 1 293.430 3.526 20 0 CHADMP Cc1ccncc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000271463760 1127084138 /nfs/dbraw/zinc/08/41/38/1127084138.db2.gz QCKCUETUVYPKAL-NVXWUHKLSA-N 2 1 289.467 3.553 20 0 CHADMP Cc1cncc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000274338618 1127113674 /nfs/dbraw/zinc/11/36/74/1127113674.db2.gz AHAMCAVECNEIMS-DLBZAZTESA-N 2 1 289.467 3.695 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000274295791 1127111568 /nfs/dbraw/zinc/11/15/68/1127111568.db2.gz SEVFTEDUJQVDCC-QZTJIDSGSA-N 2 1 297.446 3.754 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]C1(c2cccc(C)c2)CCC1 ZINC000646022048 1127117747 /nfs/dbraw/zinc/11/77/47/1127117747.db2.gz WNKXPINEWGLDNY-UHFFFAOYSA-N 2 1 283.419 3.559 20 0 CHADMP C[C@H](C1CC1)[NH+](C)CC[C@H](C)CC[N@@H+](C)[C@@H](C)C1CC1 ZINC000571025128 1127153204 /nfs/dbraw/zinc/15/32/04/1127153204.db2.gz GMVABBVEAQSJJT-MUJYYYPQSA-N 2 1 280.500 3.863 20 0 CHADMP C[C@H](CC[NH+](C)[C@@H](C)C1CC1)CC[N@H+](C)[C@H](C)C1CC1 ZINC000571025128 1127153206 /nfs/dbraw/zinc/15/32/06/1127153206.db2.gz GMVABBVEAQSJJT-MUJYYYPQSA-N 2 1 280.500 3.863 20 0 CHADMP C[C@H](CC[NH+](C)[C@@H](C)C1CC1)CC[N@@H+](C)[C@H](C)C1CC1 ZINC000571025128 1127153208 /nfs/dbraw/zinc/15/32/08/1127153208.db2.gz GMVABBVEAQSJJT-MUJYYYPQSA-N 2 1 280.500 3.863 20 0 CHADMP Cc1ccccc1C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000284166663 1127177318 /nfs/dbraw/zinc/17/73/18/1127177318.db2.gz FFHBESNOYXIFNC-FQEVSTJZSA-N 2 1 298.474 3.533 20 0 CHADMP CC[C@H](C[NH2+]C/C(C)=C\c1ccccc1)[NH+]1CCCC1 ZINC000588177631 1127180605 /nfs/dbraw/zinc/18/06/05/1127180605.db2.gz MNNLZKQKMARURU-BBLCHGJFSA-N 2 1 272.436 3.554 20 0 CHADMP CCC[C@H]1CCCC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000351591357 1127196414 /nfs/dbraw/zinc/19/64/14/1127196414.db2.gz DIDWDSPOQSJLGH-KRWDZBQOSA-N 2 1 298.434 3.730 20 0 CHADMP CC[C@@H]1c2ccccc2CC[N@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168387739 1127215543 /nfs/dbraw/zinc/21/55/43/1127215543.db2.gz RXWCYTBVKSZWBU-HXUWFJFHSA-N 2 1 298.474 3.870 20 0 CHADMP CC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1cccc(C)c1 ZINC000353408114 1127268146 /nfs/dbraw/zinc/26/81/46/1127268146.db2.gz YILNDAPWHSJZIB-MAUKXSAKSA-N 2 1 285.435 3.877 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000669418361 1127316072 /nfs/dbraw/zinc/31/60/72/1127316072.db2.gz BUWGQGZZJKQRCW-XUWVNRHRSA-N 2 1 292.492 3.562 20 0 CHADMP Cc1oc2ccccc2c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000355215369 1127325832 /nfs/dbraw/zinc/32/58/32/1127325832.db2.gz ZDTYUMDFQTWFLG-CRAIPNDOSA-N 2 1 298.430 3.657 20 0 CHADMP Cc1oc2ccccc2c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000355215369 1127325835 /nfs/dbraw/zinc/32/58/35/1127325835.db2.gz ZDTYUMDFQTWFLG-CRAIPNDOSA-N 2 1 298.430 3.657 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000355215369 1127325837 /nfs/dbraw/zinc/32/58/37/1127325837.db2.gz ZDTYUMDFQTWFLG-CRAIPNDOSA-N 2 1 298.430 3.657 20 0 CHADMP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccsc1 ZINC000480601751 1127375135 /nfs/dbraw/zinc/37/51/35/1127375135.db2.gz QWSNHTKEHHLPOG-ZNMIVQPWSA-N 2 1 280.481 3.767 20 0 CHADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccsc1 ZINC000480601751 1127375139 /nfs/dbraw/zinc/37/51/39/1127375139.db2.gz QWSNHTKEHHLPOG-ZNMIVQPWSA-N 2 1 280.481 3.767 20 0 CHADMP C[C@H](CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccccc1 ZINC000289243090 1127378125 /nfs/dbraw/zinc/37/81/25/1127378125.db2.gz DTAMFVOEEDMOQV-YJJAZYOBSA-N 2 1 286.463 3.737 20 0 CHADMP C[C@H](CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000289243090 1127378129 /nfs/dbraw/zinc/37/81/29/1127378129.db2.gz DTAMFVOEEDMOQV-YJJAZYOBSA-N 2 1 286.463 3.737 20 0 CHADMP C[C@H](CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000289243090 1127378133 /nfs/dbraw/zinc/37/81/33/1127378133.db2.gz DTAMFVOEEDMOQV-YJJAZYOBSA-N 2 1 286.463 3.737 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CC(C)=C[C@H](C)C1 ZINC000356309844 1127381857 /nfs/dbraw/zinc/38/18/57/1127381857.db2.gz ULQGAZZOXWUIAO-WMLDXEAASA-N 2 1 275.440 3.506 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CC(C)=C[C@H](C)C1 ZINC000356309844 1127381860 /nfs/dbraw/zinc/38/18/60/1127381860.db2.gz ULQGAZZOXWUIAO-WMLDXEAASA-N 2 1 275.440 3.506 20 0 CHADMP CC(C)[C@@H](c1ccccc1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001308566737 1127391972 /nfs/dbraw/zinc/39/19/72/1127391972.db2.gz GJGVDGDPFOUEAI-SFHVURJKSA-N 2 1 274.452 3.657 20 0 CHADMP Cc1nc(C)c([C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)s1 ZINC000357838199 1127394754 /nfs/dbraw/zinc/39/47/54/1127394754.db2.gz WEGADEKJQHOFAF-LBPRGKRZSA-N 2 1 295.496 3.533 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CCC1CCCC1 ZINC000358090370 1127402034 /nfs/dbraw/zinc/40/20/34/1127402034.db2.gz DIRPDNOLWBMTDS-GJZGRUSLSA-N 2 1 277.456 3.776 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CC2(C)C)cc1 ZINC000358144393 1127404440 /nfs/dbraw/zinc/40/44/40/1127404440.db2.gz WELISONJJUXDGA-XJKSGUPXSA-N 2 1 283.419 3.877 20 0 CHADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1csc2ccccc12 ZINC000359221785 1127454374 /nfs/dbraw/zinc/45/43/74/1127454374.db2.gz XZUPKIUCYBKYBB-UHFFFAOYSA-N 2 1 288.460 3.723 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCCc3ccccc32)C1 ZINC000360233679 1127493621 /nfs/dbraw/zinc/49/36/21/1127493621.db2.gz JHDJXUCXYBQPQT-APWZRJJASA-N 2 1 286.463 3.776 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000360328341 1127496138 /nfs/dbraw/zinc/49/61/38/1127496138.db2.gz FPRTULICLSEWOK-RTBURBONSA-N 2 1 297.446 3.583 20 0 CHADMP CC(C)C1([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000293631748 1127509941 /nfs/dbraw/zinc/50/99/41/1127509941.db2.gz GOTRUKLAVFCJFE-REPLKXPHSA-N 2 1 298.474 3.960 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CCc1ccsc1 ZINC000360966586 1127524447 /nfs/dbraw/zinc/52/44/47/1127524447.db2.gz QAHXWROGFIWCQU-KBPBESRZSA-N 2 1 291.464 3.500 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000294307463 1127563807 /nfs/dbraw/zinc/56/38/07/1127563807.db2.gz VOXBRRQHKMBZPX-UHFFFAOYSA-N 2 1 297.446 3.682 20 0 CHADMP c1ccc([C@@H]2CCC[C@@H]2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000294681444 1127591679 /nfs/dbraw/zinc/59/16/79/1127591679.db2.gz BQJKNOFLEGDEMX-FYQPLNBISA-N 2 1 298.474 3.787 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CC2=CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000401179728 1127640950 /nfs/dbraw/zinc/64/09/50/1127640950.db2.gz XSSVRAVORCVEHW-VQIMIIECSA-N 2 1 284.447 3.739 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)c2ccsc2)C1 ZINC000295917402 1127657484 /nfs/dbraw/zinc/65/74/84/1127657484.db2.gz JNADLDQYLVOZHD-DZGCQCFKSA-N 2 1 266.454 3.521 20 0 CHADMP c1cc(-c2ccccc2)oc1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363616919 1127680085 /nfs/dbraw/zinc/68/00/85/1127680085.db2.gz XTNAAUDXDOOERX-IRXDYDNUSA-N 2 1 296.414 3.663 20 0 CHADMP CCCCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000605186833 1127731278 /nfs/dbraw/zinc/73/12/78/1127731278.db2.gz ZQQHPVHJCOPWSM-QGZVFWFLSA-N 2 1 266.473 3.621 20 0 CHADMP Cc1ccccc1[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366431545 1127745533 /nfs/dbraw/zinc/74/55/33/1127745533.db2.gz KXCVVPBKRCBWII-KLAILNCOSA-N 2 1 272.436 3.663 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCCF)cc1 ZINC000367545541 1127754708 /nfs/dbraw/zinc/75/47/08/1127754708.db2.gz WYGZLROGDOUPSW-ZDUSSCGKSA-N 2 1 275.371 3.581 20 0 CHADMP CCC[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCC1 ZINC000623548552 1127934567 /nfs/dbraw/zinc/93/45/67/1127934567.db2.gz YBWCPNXYXOXRPW-JKSUJKDBSA-N 2 1 266.473 3.808 20 0 CHADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2cc(Cl)ccc2F)CC1 ZINC000375470439 1127945623 /nfs/dbraw/zinc/94/56/23/1127945623.db2.gz DTPVQTQGJJCQTA-UHFFFAOYSA-N 2 1 296.817 3.539 20 0 CHADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cc(Cl)ccc2F)CC1 ZINC000375470439 1127945626 /nfs/dbraw/zinc/94/56/26/1127945626.db2.gz DTPVQTQGJJCQTA-UHFFFAOYSA-N 2 1 296.817 3.539 20 0 CHADMP C[NH+](C)C1(CNc2cc[nH+]c3ccsc32)CCCCC1 ZINC000462931543 1127961051 /nfs/dbraw/zinc/96/10/51/1127961051.db2.gz WQJICFDFNQBHLQ-UHFFFAOYSA-N 2 1 289.448 3.973 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)C1CCCCC1 ZINC000540146608 1127962416 /nfs/dbraw/zinc/96/24/16/1127962416.db2.gz HWYITYCTNJMMBZ-HLLBOEOZSA-N 2 1 280.500 3.911 20 0 CHADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000540147242 1127963172 /nfs/dbraw/zinc/96/31/72/1127963172.db2.gz HUZCLOZOELOZCM-BBWFWOEESA-N 2 1 266.473 3.523 20 0 CHADMP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1cc(F)cc(F)c1 ZINC000541559352 1128028646 /nfs/dbraw/zinc/02/86/46/1128028646.db2.gz NFVJOPQFMBXCOX-UONOGXRCSA-N 2 1 296.405 3.880 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CCCCCc2ccccc2)[C@@H](C)C1 ZINC000469142941 1128036828 /nfs/dbraw/zinc/03/68/28/1128036828.db2.gz ZBYYACNPHGHUOC-HKUYNNGSSA-N 2 1 288.479 3.719 20 0 CHADMP CCc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000469730907 1128051174 /nfs/dbraw/zinc/05/11/74/1128051174.db2.gz GZHMBKKLLZJADJ-ICSRJNTNSA-N 2 1 298.474 3.698 20 0 CHADMP CCc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000469730907 1128051178 /nfs/dbraw/zinc/05/11/78/1128051178.db2.gz GZHMBKKLLZJADJ-ICSRJNTNSA-N 2 1 298.474 3.698 20 0 CHADMP CCc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000469730907 1128051180 /nfs/dbraw/zinc/05/11/80/1128051180.db2.gz GZHMBKKLLZJADJ-ICSRJNTNSA-N 2 1 298.474 3.698 20 0 CHADMP C[C@H](CCC1CC1)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000469777951 1128053305 /nfs/dbraw/zinc/05/33/05/1128053305.db2.gz ZMIJKKCLDCJTRR-CVEARBPZSA-N 2 1 266.473 3.809 20 0 CHADMP C[NH2+]C1CC[NH+](Cc2cccc(-c3ccccc3C)c2)CC1 ZINC000470020256 1128062251 /nfs/dbraw/zinc/06/22/51/1128062251.db2.gz YKRSVVUZMBSRPI-UHFFFAOYSA-N 2 1 294.442 3.846 20 0 CHADMP CCC[N@@H+](Cc1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC000470023740 1128062606 /nfs/dbraw/zinc/06/26/06/1128062606.db2.gz FHOYSZNDYPREOR-UHFFFAOYSA-N 2 1 282.431 3.804 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000470259629 1128067188 /nfs/dbraw/zinc/06/71/88/1128067188.db2.gz RVMXGYCQMAAQRH-QAETUUGQSA-N 2 1 266.473 3.523 20 0 CHADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470958926 1128084048 /nfs/dbraw/zinc/08/40/48/1128084048.db2.gz LXFYLSXUFZWCFY-HKUYNNGSSA-N 2 1 286.463 3.801 20 0 CHADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470958926 1128084050 /nfs/dbraw/zinc/08/40/50/1128084050.db2.gz LXFYLSXUFZWCFY-HKUYNNGSSA-N 2 1 286.463 3.801 20 0 CHADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470958926 1128084052 /nfs/dbraw/zinc/08/40/52/1128084052.db2.gz LXFYLSXUFZWCFY-HKUYNNGSSA-N 2 1 286.463 3.801 20 0 CHADMP CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000924694763 1128110044 /nfs/dbraw/zinc/11/00/44/1128110044.db2.gz GYWFSAALJSSJLU-CBZIJGRNSA-N 2 1 276.468 3.728 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1coc2ccccc12 ZINC000924715715 1128110993 /nfs/dbraw/zinc/11/09/93/1128110993.db2.gz PEFFJPSWSJAHSL-AWEZNQCLSA-N 2 1 298.430 3.958 20 0 CHADMP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(Oc2ccccc2)cn1 ZINC000925736872 1128139507 /nfs/dbraw/zinc/13/95/07/1128139507.db2.gz DVJSINSDXAVLOR-CQSZACIVSA-N 2 1 299.418 3.652 20 0 CHADMP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1nc(-c2ccccc2)cs1 ZINC000925742861 1128140565 /nfs/dbraw/zinc/14/05/65/1128140565.db2.gz YBWCCVIHWAELQC-LBPRGKRZSA-N 2 1 289.448 3.588 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1coc2ccccc12 ZINC000926572182 1128181912 /nfs/dbraw/zinc/18/19/12/1128181912.db2.gz CGFFGKHIVFRKQE-CABCVRRESA-N 2 1 286.419 3.815 20 0 CHADMP Cc1ncc([C@@H](C)[NH2+]C2CC[NH+](CCC(C)C)CC2)s1 ZINC000926787901 1128194150 /nfs/dbraw/zinc/19/41/50/1128194150.db2.gz XMAJNDDLEJKECB-CYBMUJFWSA-N 2 1 295.496 3.613 20 0 CHADMP C[C@H](Cc1cccc(F)c1)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001168473325 1128208718 /nfs/dbraw/zinc/20/87/18/1128208718.db2.gz CNKKYABTYDWRCT-HZPDHXFCSA-N 2 1 292.442 3.598 20 0 CHADMP C[N@@H+](CC1CCC2(CC2)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930461092 1128319552 /nfs/dbraw/zinc/31/95/52/1128319552.db2.gz TWYIAYDBFGRXLJ-SJPCQFCGSA-N 2 1 276.468 3.514 20 0 CHADMP C[NH+](CC1CCC2(CC2)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000930461092 1128319555 /nfs/dbraw/zinc/31/95/55/1128319555.db2.gz TWYIAYDBFGRXLJ-SJPCQFCGSA-N 2 1 276.468 3.514 20 0 CHADMP C[NH+](CC1CCC2(CC2)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000930461092 1128319560 /nfs/dbraw/zinc/31/95/60/1128319560.db2.gz TWYIAYDBFGRXLJ-SJPCQFCGSA-N 2 1 276.468 3.514 20 0 CHADMP Cc1nc(C)c(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2C)[nH]1 ZINC000930663196 1128329301 /nfs/dbraw/zinc/32/93/01/1128329301.db2.gz FTNLICNGRWJNPC-QGZVFWFLSA-N 2 1 287.382 3.811 20 0 CHADMP Cc1nc(C)c(CN2CCC[C@@H]2c2ccc(F)cc2C)[nH]1 ZINC000930663196 1128329306 /nfs/dbraw/zinc/32/93/06/1128329306.db2.gz FTNLICNGRWJNPC-QGZVFWFLSA-N 2 1 287.382 3.811 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000322255305 1128341690 /nfs/dbraw/zinc/34/16/90/1128341690.db2.gz FISVLDNWGHWKRU-PKOBYXMFSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]1C ZINC000322341071 1128342245 /nfs/dbraw/zinc/34/22/45/1128342245.db2.gz RKBAYROHAUGTFH-AKKLJKOSSA-N 2 1 286.463 3.531 20 0 CHADMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000561983824 1128367610 /nfs/dbraw/zinc/36/76/10/1128367610.db2.gz UNTZMAROSNADGR-YJBOKZPZSA-N 2 1 298.430 3.719 20 0 CHADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(-c2ccccc2)o1 ZINC000561983824 1128367621 /nfs/dbraw/zinc/36/76/21/1128367621.db2.gz UNTZMAROSNADGR-YJBOKZPZSA-N 2 1 298.430 3.719 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(-c2ccccc2)o1 ZINC000561983824 1128367624 /nfs/dbraw/zinc/36/76/24/1128367624.db2.gz UNTZMAROSNADGR-YJBOKZPZSA-N 2 1 298.430 3.719 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000561983824 1128367628 /nfs/dbraw/zinc/36/76/28/1128367628.db2.gz UNTZMAROSNADGR-YJBOKZPZSA-N 2 1 298.430 3.719 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000561983824 1128367631 /nfs/dbraw/zinc/36/76/31/1128367631.db2.gz UNTZMAROSNADGR-YJBOKZPZSA-N 2 1 298.430 3.719 20 0 CHADMP C[C@H](C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C(C)(C)C ZINC000670264750 1128375746 /nfs/dbraw/zinc/37/57/46/1128375746.db2.gz UJXGFTRKBOOYKF-HZPDHXFCSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(C)(C)C ZINC000670268947 1128379750 /nfs/dbraw/zinc/37/97/50/1128379750.db2.gz UKUGTSWUCKNPKG-JYJNAYRXSA-N 2 1 280.500 3.911 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](c2ccc(F)cc2)C(C)(C)C)CC1 ZINC000037119052 1128416362 /nfs/dbraw/zinc/41/63/62/1128416362.db2.gz XZSJHLJMSRMCNN-QGZVFWFLSA-N 2 1 292.442 3.987 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001235950224 1128410612 /nfs/dbraw/zinc/41/06/12/1128410612.db2.gz VKXKATVPOJQEDX-OAHLLOKOSA-N 2 1 280.843 3.648 20 0 CHADMP CC[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)C(C)C ZINC000037200243 1128421515 /nfs/dbraw/zinc/42/15/15/1128421515.db2.gz OYFXGFMFBSPERN-QGZVFWFLSA-N 2 1 262.441 3.533 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(CC(C)C)cc2)C1 ZINC000037644108 1128433585 /nfs/dbraw/zinc/43/35/85/1128433585.db2.gz QIKIPVNJQLYJAN-WMZOPIPTSA-N 2 1 288.479 3.878 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000037644542 1128433959 /nfs/dbraw/zinc/43/39/59/1128433959.db2.gz IVXJPYJDGXAGGP-SUMWQHHRSA-N 2 1 292.854 3.723 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000037644541 1128434084 /nfs/dbraw/zinc/43/40/84/1128434084.db2.gz IVXJPYJDGXAGGP-CXAGYDPISA-N 2 1 292.854 3.723 20 0 CHADMP C[N@@H+](CCCNCc1cccc(F)c1F)C1CCCCC1 ZINC000037864373 1128436284 /nfs/dbraw/zinc/43/62/84/1128436284.db2.gz LCQDSJVBDGXZAC-UHFFFAOYSA-N 2 1 296.405 3.709 20 0 CHADMP C[C@H](C[NH2+]Cc1ccccc1Cl)C[NH+]1CCCCC1 ZINC000037997474 1128437995 /nfs/dbraw/zinc/43/79/95/1128437995.db2.gz HEGBOTXTUXSGGS-CQSZACIVSA-N 2 1 280.843 3.552 20 0 CHADMP CC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1CC1 ZINC000125182927 1128448313 /nfs/dbraw/zinc/44/83/13/1128448313.db2.gz QSPJXRLLKBMZOT-HNAYVOBHSA-N 2 1 286.463 3.990 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccccc1Cl ZINC000125424240 1128449940 /nfs/dbraw/zinc/44/99/40/1128449940.db2.gz IZVBRJSBRIBADF-UHFFFAOYSA-N 2 1 291.826 3.757 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccccc1Cl ZINC000125424240 1128449942 /nfs/dbraw/zinc/44/99/42/1128449942.db2.gz IZVBRJSBRIBADF-UHFFFAOYSA-N 2 1 291.826 3.757 20 0 CHADMP CCC[C@@H](C)CC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001257468055 1128458217 /nfs/dbraw/zinc/45/82/17/1128458217.db2.gz JFKQEKQJTYIWRQ-BZUAXINKSA-N 2 1 254.462 3.523 20 0 CHADMP CC[C@@H](Cc1ccccc1)[N@H+](C)CCCn1cc[nH+]c1C ZINC000127376563 1128477139 /nfs/dbraw/zinc/47/71/39/1128477139.db2.gz LGQCCKNUWHXKSK-SFHVURJKSA-N 2 1 285.435 3.535 20 0 CHADMP CC[C@@H](Cc1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000127376563 1128477145 /nfs/dbraw/zinc/47/71/45/1128477145.db2.gz LGQCCKNUWHXKSK-SFHVURJKSA-N 2 1 285.435 3.535 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C(C)C)C1CCCCC1 ZINC000127425852 1128477776 /nfs/dbraw/zinc/47/77/76/1128477776.db2.gz RQTLNSFWJKVLSK-UHFFFAOYSA-N 2 1 263.429 3.625 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C(C)C)C1CCCCC1 ZINC000127425852 1128477777 /nfs/dbraw/zinc/47/77/77/1128477777.db2.gz RQTLNSFWJKVLSK-UHFFFAOYSA-N 2 1 263.429 3.625 20 0 CHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CC[C@@H](F)C1 ZINC000563770435 1128478129 /nfs/dbraw/zinc/47/81/29/1128478129.db2.gz PPOCPMJTSQOMDA-SJORKVTESA-N 2 1 292.442 3.625 20 0 CHADMP CC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000128075800 1128486712 /nfs/dbraw/zinc/48/67/12/1128486712.db2.gz ACITXVRDGWEADH-PKOBYXMFSA-N 2 1 286.463 3.819 20 0 CHADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000565155976 1128520797 /nfs/dbraw/zinc/52/07/97/1128520797.db2.gz IHRLJTBXOMYYRL-CVEARBPZSA-N 2 1 277.456 3.547 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H](CC(C)C)c2ccccc2)C1 ZINC000566225309 1128540709 /nfs/dbraw/zinc/54/07/09/1128540709.db2.gz CRBCSCJIBWZVMK-MJGOQNOKSA-N 2 1 288.479 3.748 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000566230378 1128540771 /nfs/dbraw/zinc/54/07/71/1128540771.db2.gz KMJCHXRFFNPZHQ-UFYCRDLUSA-N 2 1 298.474 3.572 20 0 CHADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCc3sc(Cl)cc32)CC1 ZINC000129497957 1128541906 /nfs/dbraw/zinc/54/19/06/1128541906.db2.gz HQSULIONXLHKEH-CYBMUJFWSA-N 2 1 298.883 3.851 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](C)c2cc3c(s2)CCCC3)CC1 ZINC000129756037 1128556087 /nfs/dbraw/zinc/55/60/87/1128556087.db2.gz OURZVSWSOOUDPC-ZDUSSCGKSA-N 2 1 292.492 3.762 20 0 CHADMP Cc1ccc2cc[nH+]c(NC3CC[NH+](C4CCC4)CC3)c2c1 ZINC000567381315 1128563053 /nfs/dbraw/zinc/56/30/53/1128563053.db2.gz QQTWHJNDOJWMJX-UHFFFAOYSA-N 2 1 295.430 3.972 20 0 CHADMP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000130120704 1128567001 /nfs/dbraw/zinc/56/70/01/1128567001.db2.gz URBYSIREIAAGAA-OWCLPIDISA-N 2 1 290.451 3.607 20 0 CHADMP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000130120704 1128567004 /nfs/dbraw/zinc/56/70/04/1128567004.db2.gz URBYSIREIAAGAA-OWCLPIDISA-N 2 1 290.451 3.607 20 0 CHADMP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000130120704 1128567007 /nfs/dbraw/zinc/56/70/07/1128567007.db2.gz URBYSIREIAAGAA-OWCLPIDISA-N 2 1 290.451 3.607 20 0 CHADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc3ccccc3o2)C1 ZINC000567718569 1128570132 /nfs/dbraw/zinc/57/01/32/1128570132.db2.gz GYAXLBMSWDYBOV-LSDHHAIUSA-N 2 1 286.419 3.815 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc3ccccc3o2)C1 ZINC000567718569 1128570135 /nfs/dbraw/zinc/57/01/35/1128570135.db2.gz GYAXLBMSWDYBOV-LSDHHAIUSA-N 2 1 286.419 3.815 20 0 CHADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000568116762 1128577730 /nfs/dbraw/zinc/57/77/30/1128577730.db2.gz MEAJEBGXXDKACC-AYMQEEERSA-N 2 1 292.854 3.516 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000568116762 1128577733 /nfs/dbraw/zinc/57/77/33/1128577733.db2.gz MEAJEBGXXDKACC-AYMQEEERSA-N 2 1 292.854 3.516 20 0 CHADMP C[N@@H+](CCCC[NH3+])Cc1ccccc1-c1ccccc1 ZINC001236141602 1128577867 /nfs/dbraw/zinc/57/78/67/1128577867.db2.gz LGVOMWMFSMWVHL-UHFFFAOYSA-N 2 1 268.404 3.524 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC(C)=C[C@H](C)C2)C[C@H]1C ZINC000568455911 1128584835 /nfs/dbraw/zinc/58/48/35/1128584835.db2.gz HRYCKWDYOBBLFT-RANZSIQMSA-N 2 1 278.484 3.783 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC(C)=C[C@H](C)C2)C[C@H]1C ZINC000568455911 1128584838 /nfs/dbraw/zinc/58/48/38/1128584838.db2.gz HRYCKWDYOBBLFT-RANZSIQMSA-N 2 1 278.484 3.783 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC(C)=C[C@H](C)C2)C[C@H]1C ZINC000568455911 1128584840 /nfs/dbraw/zinc/58/48/40/1128584840.db2.gz HRYCKWDYOBBLFT-RANZSIQMSA-N 2 1 278.484 3.783 20 0 CHADMP C[C@H](CC[NH2+]CC[N@H+](C)C1CCCC1)c1ccccc1 ZINC000071377139 1128589590 /nfs/dbraw/zinc/58/95/90/1128589590.db2.gz DJJUJJSSJNZMAD-MRXNPFEDSA-N 2 1 274.452 3.644 20 0 CHADMP C[C@H](CC[NH2+]CC[N@@H+](C)C1CCCC1)c1ccccc1 ZINC000071377139 1128589594 /nfs/dbraw/zinc/58/95/94/1128589594.db2.gz DJJUJJSSJNZMAD-MRXNPFEDSA-N 2 1 274.452 3.644 20 0 CHADMP C[C@H](CCC1CC1)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000568787192 1128591465 /nfs/dbraw/zinc/59/14/65/1128591465.db2.gz FEPQQYXRQVCNMJ-LZQZEXGQSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@H](CCC1CC1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000568787192 1128591467 /nfs/dbraw/zinc/59/14/67/1128591467.db2.gz FEPQQYXRQVCNMJ-LZQZEXGQSA-N 2 1 286.463 3.990 20 0 CHADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(CC(F)(F)F)CC1 ZINC000556505827 1128597398 /nfs/dbraw/zinc/59/73/98/1128597398.db2.gz PEWUARJNSXUFSR-AWEZNQCLSA-N 2 1 292.389 3.525 20 0 CHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(CC(F)(F)F)CC1 ZINC000556505827 1128597401 /nfs/dbraw/zinc/59/74/01/1128597401.db2.gz PEWUARJNSXUFSR-AWEZNQCLSA-N 2 1 292.389 3.525 20 0 CHADMP CC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000569102631 1128598245 /nfs/dbraw/zinc/59/82/45/1128598245.db2.gz SJVXSJVGWMWEBK-QGZVFWFLSA-N 2 1 284.447 3.573 20 0 CHADMP CC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000569102631 1128598247 /nfs/dbraw/zinc/59/82/47/1128598247.db2.gz SJVXSJVGWMWEBK-QGZVFWFLSA-N 2 1 284.447 3.573 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CC2(F)F)c1 ZINC000638434197 1128617239 /nfs/dbraw/zinc/61/72/39/1128617239.db2.gz JDDYVINGAIHFSS-BBRMVZONSA-N 2 1 296.405 3.660 20 0 CHADMP Cc1c(Cl)ccc(C[N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)c1C ZINC001236224661 1128627206 /nfs/dbraw/zinc/62/72/06/1128627206.db2.gz UWFDWASQAXSTNZ-SHTZXODSSA-N 2 1 280.843 3.659 20 0 CHADMP CCC1CC([NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000570745645 1128631330 /nfs/dbraw/zinc/63/13/30/1128631330.db2.gz GAKOTRMAOQPQDP-LYGPFTKASA-N 2 1 286.463 3.990 20 0 CHADMP Cc1nccn1CC[N@H+](C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000499051670 1128635699 /nfs/dbraw/zinc/63/56/99/1128635699.db2.gz FGGZOLNXXGPYKP-MOPGFXCFSA-N 2 1 297.446 3.768 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000499051670 1128635702 /nfs/dbraw/zinc/63/57/02/1128635702.db2.gz FGGZOLNXXGPYKP-MOPGFXCFSA-N 2 1 297.446 3.768 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000499051670 1128635703 /nfs/dbraw/zinc/63/57/03/1128635703.db2.gz FGGZOLNXXGPYKP-MOPGFXCFSA-N 2 1 297.446 3.768 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CCC2=CCCCCC2)[C@H]2CCC[C@@H]21 ZINC000556892947 1128635264 /nfs/dbraw/zinc/63/52/64/1128635264.db2.gz QLKRTSLOHFASGO-SQNIBIBYSA-N 2 1 276.468 3.729 20 0 CHADMP CC(C)=CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000072966081 1128637835 /nfs/dbraw/zinc/63/78/35/1128637835.db2.gz NGOFWECMCVKHTE-IAGOWNOFSA-N 2 1 264.457 3.539 20 0 CHADMP CC(C)=CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000072966081 1128637837 /nfs/dbraw/zinc/63/78/37/1128637837.db2.gz NGOFWECMCVKHTE-IAGOWNOFSA-N 2 1 264.457 3.539 20 0 CHADMP CC(C)=CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000072966081 1128637838 /nfs/dbraw/zinc/63/78/38/1128637838.db2.gz NGOFWECMCVKHTE-IAGOWNOFSA-N 2 1 264.457 3.539 20 0 CHADMP CC(C)=CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000072966081 1128637840 /nfs/dbraw/zinc/63/78/40/1128637840.db2.gz NGOFWECMCVKHTE-IAGOWNOFSA-N 2 1 264.457 3.539 20 0 CHADMP CCC(CC)(CC)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000556933842 1128647237 /nfs/dbraw/zinc/64/72/37/1128647237.db2.gz GWZDZSAXCOMELK-KRWDZBQOSA-N 2 1 266.473 3.621 20 0 CHADMP CCC(CC)(CC)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000556933842 1128647239 /nfs/dbraw/zinc/64/72/39/1128647239.db2.gz GWZDZSAXCOMELK-KRWDZBQOSA-N 2 1 266.473 3.621 20 0 CHADMP CCC(CC)(CC)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000556933842 1128647241 /nfs/dbraw/zinc/64/72/41/1128647241.db2.gz GWZDZSAXCOMELK-KRWDZBQOSA-N 2 1 266.473 3.621 20 0 CHADMP CC[NH2+]CCC[NH2+][C@@H]1CCCOc2c(C(C)C)cccc21 ZINC000573593157 1128655927 /nfs/dbraw/zinc/65/59/27/1128655927.db2.gz BDMPWFSWZZBQPA-QGZVFWFLSA-N 2 1 290.451 3.613 20 0 CHADMP CC(C)C[NH+]1CCC([NH2+]C(C)(C)c2ccccc2F)CC1 ZINC001258008218 1128673289 /nfs/dbraw/zinc/67/32/89/1128673289.db2.gz LKROQMQCQOJNNW-UHFFFAOYSA-N 2 1 292.442 3.771 20 0 CHADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000577814715 1128690187 /nfs/dbraw/zinc/69/01/87/1128690187.db2.gz WZHDWOPDRMOYPR-MNEFBYGVSA-N 2 1 286.463 3.802 20 0 CHADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001258054633 1128711149 /nfs/dbraw/zinc/71/11/49/1128711149.db2.gz FQFKUFLRQZYADK-LSDHHAIUSA-N 2 1 266.473 3.664 20 0 CHADMP CCCCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246836605 1117748536 /nfs/dbraw/zinc/74/85/36/1117748536.db2.gz OKYYRLXRPXQXIA-RDJZCZTQSA-N 2 1 264.457 3.515 20 0 CHADMP CCCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246836605 1117748542 /nfs/dbraw/zinc/74/85/42/1117748542.db2.gz OKYYRLXRPXQXIA-RDJZCZTQSA-N 2 1 264.457 3.515 20 0 CHADMP CCCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246836605 1117748548 /nfs/dbraw/zinc/74/85/48/1117748548.db2.gz OKYYRLXRPXQXIA-RDJZCZTQSA-N 2 1 264.457 3.515 20 0 CHADMP C[C@@H](CCC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000671295787 1117811462 /nfs/dbraw/zinc/81/14/62/1117811462.db2.gz ZLIHRYZREIAQQX-GJZGRUSLSA-N 2 1 266.473 3.808 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001206767587 1117819652 /nfs/dbraw/zinc/81/96/52/1117819652.db2.gz CCTPNOYAXJPDSU-HOCLYGCPSA-N 2 1 274.452 3.543 20 0 CHADMP CCC[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623339893 1117837567 /nfs/dbraw/zinc/83/75/67/1117837567.db2.gz OMLBFYYSRKPLRI-DLBZAZTESA-N 2 1 274.452 3.990 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc3c(s2)CCCC3)CC1(C)C ZINC000623381239 1117847145 /nfs/dbraw/zinc/84/71/45/1117847145.db2.gz IWOATIYCVCOZLD-AWEZNQCLSA-N 2 1 292.492 3.589 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3Cl)CC1(C)C ZINC000623382085 1117847531 /nfs/dbraw/zinc/84/75/31/1117847531.db2.gz XEQQZYSZGOPFOM-LRDDRELGSA-N 2 1 292.854 3.790 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3Cl)CC1(C)C ZINC000623382086 1117847567 /nfs/dbraw/zinc/84/75/67/1117847567.db2.gz XEQQZYSZGOPFOM-MLGOLLRUSA-N 2 1 292.854 3.790 20 0 CHADMP Cc1cccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623384802 1117847871 /nfs/dbraw/zinc/84/78/71/1117847871.db2.gz KOSPDFGZBRNZOE-QGZVFWFLSA-N 2 1 288.479 3.735 20 0 CHADMP CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623398682 1117849550 /nfs/dbraw/zinc/84/95/50/1117849550.db2.gz MNZXIYSSRXXADE-ZWKOTPCHSA-N 2 1 288.479 3.860 20 0 CHADMP CCCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623398480 1117849652 /nfs/dbraw/zinc/84/96/52/1117849652.db2.gz HIANBRXWPOAQKP-OWCLPIDISA-N 2 1 266.473 3.808 20 0 CHADMP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623438996 1117857082 /nfs/dbraw/zinc/85/70/82/1117857082.db2.gz RTXOPZKXOXGJPN-ZOBUZTSGSA-N 2 1 274.452 3.641 20 0 CHADMP C[C@@H](CC1CCCCC1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623508895 1117863750 /nfs/dbraw/zinc/86/37/50/1117863750.db2.gz LEUYBAFIKPRFRI-GOEBONIOSA-N 2 1 266.473 3.808 20 0 CHADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623512971 1117864335 /nfs/dbraw/zinc/86/43/35/1117864335.db2.gz CEUBXTCZBYOZLB-ULQDDVLXSA-N 2 1 286.463 3.703 20 0 CHADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623512970 1117864974 /nfs/dbraw/zinc/86/49/74/1117864974.db2.gz CEUBXTCZBYOZLB-BRWVUGGUSA-N 2 1 286.463 3.703 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCC(F)(F)C2)CC1(C)C ZINC000623529462 1117867654 /nfs/dbraw/zinc/86/76/54/1117867654.db2.gz JGBTZBSKPJVVQT-KGLIPLIRSA-N 2 1 288.426 3.664 20 0 CHADMP C[N@H+]1CC[C@H](NCc2ccc(C(C)(F)F)cc2)CC1(C)C ZINC000623532353 1117868845 /nfs/dbraw/zinc/86/88/45/1117868845.db2.gz OHSONNSFCZEHAB-HNNXBMFYSA-N 2 1 296.405 3.761 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)(F)F)cc2)CC1(C)C ZINC000623532353 1117868851 /nfs/dbraw/zinc/86/88/51/1117868851.db2.gz OHSONNSFCZEHAB-HNNXBMFYSA-N 2 1 296.405 3.761 20 0 CHADMP CCCCc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)s1 ZINC001206772190 1117871934 /nfs/dbraw/zinc/87/19/34/1117871934.db2.gz ZAOVVUXBIUSOFV-KGLIPLIRSA-N 2 1 280.481 3.650 20 0 CHADMP C[C@H](CCc1ccccc1)C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623657464 1117883565 /nfs/dbraw/zinc/88/35/65/1117883565.db2.gz RFWLRXFRSMGWEM-IEBWSBKVSA-N 2 1 288.479 3.577 20 0 CHADMP CC(C)Oc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000179535545 1117907919 /nfs/dbraw/zinc/90/79/19/1117907919.db2.gz YINPIIHMLYDOKZ-RDJZCZTQSA-N 2 1 290.451 3.609 20 0 CHADMP CC(C)Oc1cccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)c1 ZINC000179683896 1117910087 /nfs/dbraw/zinc/91/00/87/1117910087.db2.gz FZAVAMCPBADCGE-NVXWUHKLSA-N 2 1 290.451 3.609 20 0 CHADMP C/C(=C\c1ccccc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000179853389 1117915250 /nfs/dbraw/zinc/91/52/50/1117915250.db2.gz YPVNRFRIVSTHDZ-UMEYKSNOSA-N 2 1 284.447 3.508 20 0 CHADMP C/C(=C\c1ccccc1)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000179853389 1117915252 /nfs/dbraw/zinc/91/52/52/1117915252.db2.gz YPVNRFRIVSTHDZ-UMEYKSNOSA-N 2 1 284.447 3.508 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CCCc2cccc(Cl)c2)[C@H](C)C1 ZINC000180461959 1117930918 /nfs/dbraw/zinc/93/09/18/1117930918.db2.gz XETRPWJTBGWJLA-PBHICJAKSA-N 2 1 294.870 3.593 20 0 CHADMP Cc1csc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)n1 ZINC000623864489 1117945840 /nfs/dbraw/zinc/94/58/40/1117945840.db2.gz PZMVOFZZEMYPLM-HUUCEWRRSA-N 2 1 295.496 3.757 20 0 CHADMP C[C@H](NCCC[N@H+]1CCCC[C@H]1C)c1cccnc1Cl ZINC000160263925 1117956460 /nfs/dbraw/zinc/95/64/60/1117956460.db2.gz DUNIJMFISDIDBQ-KGLIPLIRSA-N 2 1 295.858 3.650 20 0 CHADMP CCCn1ccnc1CCC[N@@H+](C)C[C@H]1CCCC[C@@H]1C ZINC000579407548 1128747285 /nfs/dbraw/zinc/74/72/85/1128747285.db2.gz GMKXXFXKJALLHO-DLBZAZTESA-N 2 1 291.483 3.984 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H]1CCCC[C@@H]1C ZINC000579407548 1128747288 /nfs/dbraw/zinc/74/72/88/1128747288.db2.gz GMKXXFXKJALLHO-DLBZAZTESA-N 2 1 291.483 3.984 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H]1CCCC[C@@H]1C ZINC000579407548 1128747292 /nfs/dbraw/zinc/74/72/92/1128747292.db2.gz GMKXXFXKJALLHO-DLBZAZTESA-N 2 1 291.483 3.984 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc2c(c1)CCC2 ZINC000624120020 1117983439 /nfs/dbraw/zinc/98/34/39/1117983439.db2.gz PRCUPTUWRHBRQT-CVEARBPZSA-N 2 1 286.463 3.558 20 0 CHADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000624121831 1117985070 /nfs/dbraw/zinc/98/50/70/1117985070.db2.gz DOZLAFFFIPFFIS-KBXCAEBGSA-N 2 1 290.426 3.525 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C(C)(C)c1ccccc1 ZINC000624122077 1117985276 /nfs/dbraw/zinc/98/52/76/1117985276.db2.gz JFNKEVITKRHERS-IRXDYDNUSA-N 2 1 288.479 3.674 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccccc1F ZINC000624121728 1117985844 /nfs/dbraw/zinc/98/58/44/1117985844.db2.gz BZTWVTZMBKXEFU-PBHICJAKSA-N 2 1 278.415 3.598 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccc1F ZINC000624121728 1117985848 /nfs/dbraw/zinc/98/58/48/1117985848.db2.gz BZTWVTZMBKXEFU-PBHICJAKSA-N 2 1 278.415 3.598 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(C2CC2)c1 ZINC000624124160 1117986739 /nfs/dbraw/zinc/98/67/39/1117986739.db2.gz YRKQCLSSAZHREB-CVEARBPZSA-N 2 1 286.463 3.947 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1nccc2ccccc21 ZINC000624123570 1117987165 /nfs/dbraw/zinc/98/71/65/1117987165.db2.gz OGXPHMDXKJZKOF-JKSUJKDBSA-N 2 1 297.446 3.617 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1nccc2ccccc21 ZINC000624123570 1117987168 /nfs/dbraw/zinc/98/71/68/1117987168.db2.gz OGXPHMDXKJZKOF-JKSUJKDBSA-N 2 1 297.446 3.617 20 0 CHADMP CCC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccsc1 ZINC000624123681 1117987550 /nfs/dbraw/zinc/98/75/50/1117987550.db2.gz QHQKMALCDAODSC-GOEBONIOSA-N 2 1 280.481 3.911 20 0 CHADMP CC[C@@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000579480503 1128748823 /nfs/dbraw/zinc/74/88/23/1128748823.db2.gz FRYHBVZUTIKICP-UKRRQHHQSA-N 2 1 280.481 3.609 20 0 CHADMP CC[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000579480503 1128748827 /nfs/dbraw/zinc/74/88/27/1128748827.db2.gz FRYHBVZUTIKICP-UKRRQHHQSA-N 2 1 280.481 3.609 20 0 CHADMP CC[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000579480503 1128748830 /nfs/dbraw/zinc/74/88/30/1128748830.db2.gz FRYHBVZUTIKICP-UKRRQHHQSA-N 2 1 280.481 3.609 20 0 CHADMP CC[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000579480503 1128748834 /nfs/dbraw/zinc/74/88/34/1128748834.db2.gz FRYHBVZUTIKICP-UKRRQHHQSA-N 2 1 280.481 3.609 20 0 CHADMP CC(C)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC000182073291 1118013107 /nfs/dbraw/zinc/01/31/07/1118013107.db2.gz QUJXBOKCFNIFSO-GUYCJALGSA-N 2 1 296.405 3.593 20 0 CHADMP FCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000360994801 1118027620 /nfs/dbraw/zinc/02/76/20/1118027620.db2.gz GJQRUJKQRDNRFQ-AYHJJNSGSA-N 2 1 290.426 3.521 20 0 CHADMP Cc1ccc(C)c([C@@H]2CCC[N@H+]2CCCn2ccnc2)c1 ZINC000182860734 1118031114 /nfs/dbraw/zinc/03/11/14/1118031114.db2.gz SIOJFVTWMZRRQR-SFHVURJKSA-N 2 1 283.419 3.727 20 0 CHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(F)c2F)C1 ZINC000183258447 1118041695 /nfs/dbraw/zinc/04/16/95/1118041695.db2.gz MCGVOMLGOINEGE-KBPBESRZSA-N 2 1 296.405 3.736 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(F)c2F)C1 ZINC000183258447 1118041701 /nfs/dbraw/zinc/04/17/01/1118041701.db2.gz MCGVOMLGOINEGE-KBPBESRZSA-N 2 1 296.405 3.736 20 0 CHADMP C[C@H](NCCC[N@H+]1CCCC[C@@H]1C)c1ccnc(Cl)c1 ZINC000160272417 1118060470 /nfs/dbraw/zinc/06/04/70/1118060470.db2.gz HUAYSZSNRLNLFH-KBPBESRZSA-N 2 1 295.858 3.650 20 0 CHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccnc(Cl)c1 ZINC000160272417 1118060476 /nfs/dbraw/zinc/06/04/76/1118060476.db2.gz HUAYSZSNRLNLFH-KBPBESRZSA-N 2 1 295.858 3.650 20 0 CHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccnc(Cl)c1 ZINC000160272417 1118060480 /nfs/dbraw/zinc/06/04/80/1118060480.db2.gz HUAYSZSNRLNLFH-KBPBESRZSA-N 2 1 295.858 3.650 20 0 CHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccsc3Cl)C2)CC1 ZINC000349149152 1118089046 /nfs/dbraw/zinc/08/90/46/1118089046.db2.gz LFQLLXCNQNKMMP-CYBMUJFWSA-N 2 1 298.883 3.565 20 0 CHADMP CC1CCC([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000236687602 1118111423 /nfs/dbraw/zinc/11/14/23/1118111423.db2.gz WBWNQMSHKMXIEL-CGZBRXJRSA-N 2 1 266.473 3.809 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000340232330 1118117644 /nfs/dbraw/zinc/11/76/44/1118117644.db2.gz RYDCSHORZIMGCJ-NVXWUHKLSA-N 2 1 289.467 3.920 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCC12CCCC2 ZINC000340233638 1118118257 /nfs/dbraw/zinc/11/82/57/1118118257.db2.gz ZABYCVZBZDLCLI-ZBFHGGJFSA-N 2 1 275.440 3.530 20 0 CHADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CCCCCCC2)C[C@H](C)O1 ZINC000765404331 1118149102 /nfs/dbraw/zinc/14/91/02/1118149102.db2.gz CTUKYWSCQJZOHN-CALCHBBNSA-N 2 1 296.499 3.578 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]C/C=C/c1cc(C)c(C)cc1C ZINC001648832999 1118245534 /nfs/dbraw/zinc/24/55/34/1118245534.db2.gz WJCTYXRFZKONQM-FNORWQNLSA-N 2 1 297.446 3.810 20 0 CHADMP COc1ccc(C(C)C)cc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000655940271 1118276283 /nfs/dbraw/zinc/27/62/83/1118276283.db2.gz ZPMHGNGHUGTQEW-KRWDZBQOSA-N 2 1 290.451 3.522 20 0 CHADMP CC[C@H](C)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001167322147 1118284671 /nfs/dbraw/zinc/28/46/71/1118284671.db2.gz QNTGNWXUZIDPOK-IRXDYDNUSA-N 2 1 266.473 3.621 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2F)cc1 ZINC000340525188 1118317569 /nfs/dbraw/zinc/31/75/69/1118317569.db2.gz WCQAATRQDXQJIS-AFAVFJNCSA-N 2 1 287.382 3.722 20 0 CHADMP C[C@H](CC[N@H+]1CCCC2(CC2)C1)[NH+]1CCCC2(CC2)C1 ZINC000352279511 1118341792 /nfs/dbraw/zinc/34/17/92/1118341792.db2.gz JXGLJXSFBBRIDB-MRXNPFEDSA-N 2 1 276.468 3.517 20 0 CHADMP C[C@H](CC[NH+]1CCCC2(CC2)C1)[N@@H+]1CCCC2(CC2)C1 ZINC000352279511 1118341796 /nfs/dbraw/zinc/34/17/96/1118341796.db2.gz JXGLJXSFBBRIDB-MRXNPFEDSA-N 2 1 276.468 3.517 20 0 CHADMP C[C@H](CC[NH+]1CCCC2(CC2)C1)[N@H+]1CCCC2(CC2)C1 ZINC000352279511 1118341804 /nfs/dbraw/zinc/34/18/04/1118341804.db2.gz JXGLJXSFBBRIDB-MRXNPFEDSA-N 2 1 276.468 3.517 20 0 CHADMP CCC(CC)(CC)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000671753512 1118343200 /nfs/dbraw/zinc/34/32/00/1118343200.db2.gz SRBNTNBPQUBTQS-ARFHVFGLSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1cc[nH+]c2cc(N[C@H]3CCCC[C@@H]3[NH+](C)C)ccc12 ZINC001168601183 1118366684 /nfs/dbraw/zinc/36/66/84/1118366684.db2.gz LORNZBUJWKYZPW-WMZOPIPTSA-N 2 1 283.419 3.828 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3sccc3c2)[C@H](C)C1 ZINC000580262063 1118411342 /nfs/dbraw/zinc/41/13/42/1118411342.db2.gz HZYFDXDWIPDHJA-CZUORRHYSA-N 2 1 288.460 3.721 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(C)C ZINC000126849865 1118512043 /nfs/dbraw/zinc/51/20/43/1118512043.db2.gz HUUTXIKMVXAAAB-RDJZCZTQSA-N 2 1 294.508 3.984 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C(C)C ZINC000126849865 1118512046 /nfs/dbraw/zinc/51/20/46/1118512046.db2.gz HUUTXIKMVXAAAB-RDJZCZTQSA-N 2 1 294.508 3.984 20 0 CHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CC34CC4)CC23CC3)cc1 ZINC000580892118 1118517645 /nfs/dbraw/zinc/51/76/45/1118517645.db2.gz CNGBCZDRYIZJKQ-ROUUACIJSA-N 2 1 296.458 3.573 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CC34CC4)CC23CC3)cc1 ZINC000580892118 1118517648 /nfs/dbraw/zinc/51/76/48/1118517648.db2.gz CNGBCZDRYIZJKQ-ROUUACIJSA-N 2 1 296.458 3.573 20 0 CHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@@H]3CC34CC4)CC23CC3)cc1 ZINC000580892120 1118517763 /nfs/dbraw/zinc/51/77/63/1118517763.db2.gz CNGBCZDRYIZJKQ-ZWKOTPCHSA-N 2 1 296.458 3.573 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@@H]3CC34CC4)CC23CC3)cc1 ZINC000580892120 1118517768 /nfs/dbraw/zinc/51/77/68/1118517768.db2.gz CNGBCZDRYIZJKQ-ZWKOTPCHSA-N 2 1 296.458 3.573 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000580916402 1118521214 /nfs/dbraw/zinc/52/12/14/1118521214.db2.gz UCNLCTKZTIUZOI-IHRRRGAJSA-N 2 1 294.405 3.818 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000580916402 1118521216 /nfs/dbraw/zinc/52/12/16/1118521216.db2.gz UCNLCTKZTIUZOI-IHRRRGAJSA-N 2 1 294.405 3.818 20 0 CHADMP CC(C)c1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC001167458224 1118576769 /nfs/dbraw/zinc/57/67/69/1118576769.db2.gz SLJPLQSAIMSQOV-QGZVFWFLSA-N 2 1 286.463 3.728 20 0 CHADMP C[C@@H]1CCC[C@](C[NH2+]C2CCCCCC2)([NH+](C)C)C1 ZINC000109923987 1118588559 /nfs/dbraw/zinc/58/85/59/1118588559.db2.gz FYNWKZMLWPWEAM-WBVHZDCISA-N 2 1 266.473 3.809 20 0 CHADMP c1c2ccccc2oc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656786241 1118656619 /nfs/dbraw/zinc/65/66/19/1118656619.db2.gz QOWDKQYKLZOOKF-QGZVFWFLSA-N 2 1 298.430 3.644 20 0 CHADMP CCC(CC)[C@@H](C[NH2+]C1CCC(F)(F)CC1)[NH+](C)C ZINC000647171058 1118657302 /nfs/dbraw/zinc/65/73/02/1118657302.db2.gz ZHCDKRLCEUUNHM-CQSZACIVSA-N 2 1 276.415 3.520 20 0 CHADMP CCc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000656785150 1118657560 /nfs/dbraw/zinc/65/75/60/1118657560.db2.gz JPYQUHYPHZIEPM-HNNXBMFYSA-N 2 1 292.492 3.522 20 0 CHADMP CCc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000656785151 1118657793 /nfs/dbraw/zinc/65/77/93/1118657793.db2.gz JPYQUHYPHZIEPM-OAHLLOKOSA-N 2 1 292.492 3.522 20 0 CHADMP C[NH+](C)[C@H](C[NH2+]C1CCC(F)(F)CC1)C1CCCCC1 ZINC000647172394 1118666860 /nfs/dbraw/zinc/66/68/60/1118666860.db2.gz VDNMOMSQKZCQPI-OAHLLOKOSA-N 2 1 288.426 3.664 20 0 CHADMP CC1(C)C[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647174996 1118680297 /nfs/dbraw/zinc/68/02/97/1118680297.db2.gz TZCIGLKCGFGCHQ-IAGOWNOFSA-N 2 1 284.447 3.572 20 0 CHADMP CC1(C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647174996 1118680299 /nfs/dbraw/zinc/68/02/99/1118680299.db2.gz TZCIGLKCGFGCHQ-IAGOWNOFSA-N 2 1 284.447 3.572 20 0 CHADMP CCC(CC)C[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550427 1128795570 /nfs/dbraw/zinc/79/55/70/1128795570.db2.gz IMXNLDQRIUITOL-WKILWMFISA-N 2 1 254.462 3.651 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000430669652 1118722279 /nfs/dbraw/zinc/72/22/79/1118722279.db2.gz UFYRZQVMCWBDAM-QGZVFWFLSA-N 2 1 296.458 3.704 20 0 CHADMP CC[N@@H+](CC1CC[NH+](C)CC1)[C@H](C)c1ccc(F)cc1 ZINC000891733530 1118753062 /nfs/dbraw/zinc/75/30/62/1118753062.db2.gz CNLFXMZKHDZSDS-CQSZACIVSA-N 2 1 278.415 3.550 20 0 CHADMP C[C@H]([NH2+]CC1=CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000401090821 1118778891 /nfs/dbraw/zinc/77/88/91/1118778891.db2.gz VLRPRKUJBQPAAI-QFBILLFUSA-N 2 1 284.447 3.597 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000510694413 1118788995 /nfs/dbraw/zinc/78/89/95/1118788995.db2.gz IKINYVAPNUEEPQ-NBMJBFSESA-N 2 1 292.511 3.913 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CCCF)C1 ZINC000510752891 1118806891 /nfs/dbraw/zinc/80/68/91/1118806891.db2.gz OCHDAKLUSZLKDA-KZNAEPCWSA-N 2 1 298.490 3.862 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2CCCF)C1 ZINC000510752892 1118807199 /nfs/dbraw/zinc/80/71/99/1118807199.db2.gz OCHDAKLUSZLKDA-SQNIBIBYSA-N 2 1 298.490 3.862 20 0 CHADMP Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000224117361 1118837285 /nfs/dbraw/zinc/83/72/85/1118837285.db2.gz LAKPSIZFUSHSMK-YESZJQIVSA-N 2 1 274.452 3.745 20 0 CHADMP Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000224117361 1118837288 /nfs/dbraw/zinc/83/72/88/1118837288.db2.gz LAKPSIZFUSHSMK-YESZJQIVSA-N 2 1 274.452 3.745 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000510928564 1118864314 /nfs/dbraw/zinc/86/43/14/1118864314.db2.gz AIDBACRUFXYCFS-HOTGVXAUSA-N 2 1 277.456 3.776 20 0 CHADMP CCc1cccc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)oc21 ZINC000657313770 1118988970 /nfs/dbraw/zinc/98/89/70/1118988970.db2.gz OMXVSDBAGQORJY-IAGOWNOFSA-N 2 1 298.430 3.712 20 0 CHADMP CCc1cccc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)oc21 ZINC000657313770 1118988973 /nfs/dbraw/zinc/98/89/73/1118988973.db2.gz OMXVSDBAGQORJY-IAGOWNOFSA-N 2 1 298.430 3.712 20 0 CHADMP CC[NH+]1CCC([N@H+](C)C[C@@H](C)c2ccc(C)cc2)CC1 ZINC000628128508 1128814963 /nfs/dbraw/zinc/81/49/63/1128814963.db2.gz ISTOZECXFDQQHL-MRXNPFEDSA-N 2 1 274.452 3.515 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](C)c2ccc(C)cc2)CC1 ZINC000628128508 1128814966 /nfs/dbraw/zinc/81/49/66/1128814966.db2.gz ISTOZECXFDQQHL-MRXNPFEDSA-N 2 1 274.452 3.515 20 0 CHADMP CC[C@H]1CCC[C@H]([NH2+]CCCCn2cc[nH+]c2C)CC1 ZINC000657374441 1119040421 /nfs/dbraw/zinc/04/04/21/1119040421.db2.gz LFDKKSJTEQQWAH-IRXDYDNUSA-N 2 1 277.456 3.920 20 0 CHADMP c1coc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000111391268 1119082512 /nfs/dbraw/zinc/08/25/12/1119082512.db2.gz JQWJAZKINLKBMZ-AYHJJNSGSA-N 2 1 296.414 3.565 20 0 CHADMP CC(C)(C)c1cc(Nc2cc[nH+]cc2C(F)(F)F)cc[nH+]1 ZINC001213160822 1119119142 /nfs/dbraw/zinc/11/91/42/1119119142.db2.gz MSGQXHASIQVLOX-UHFFFAOYSA-N 2 1 295.308 3.958 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000342670925 1119119425 /nfs/dbraw/zinc/11/94/25/1119119425.db2.gz PXYDPPFFOBTYML-IBGZPJMESA-N 2 1 297.446 3.679 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000342670925 1119119427 /nfs/dbraw/zinc/11/94/27/1119119427.db2.gz PXYDPPFFOBTYML-IBGZPJMESA-N 2 1 297.446 3.679 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](C(C)(C)C)CC2)C1 ZINC000226553351 1119138313 /nfs/dbraw/zinc/13/83/13/1119138313.db2.gz QSKHDNXETGSDHC-BRWVUGGUSA-N 2 1 280.500 3.913 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916049 1119183457 /nfs/dbraw/zinc/18/34/57/1119183457.db2.gz HKBYCUANVVGAQY-RYQLBKOJSA-N 2 1 290.426 3.741 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916500 1119183845 /nfs/dbraw/zinc/18/38/45/1119183845.db2.gz HBFQPUXTLRDIPE-KEYYUXOJSA-N 2 1 292.854 3.865 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916500 1119183846 /nfs/dbraw/zinc/18/38/46/1119183846.db2.gz HBFQPUXTLRDIPE-KEYYUXOJSA-N 2 1 292.854 3.865 20 0 CHADMP CCC[N@H+](CCCn1cc[nH+]c1C)[C@@H]1CCc2ccccc21 ZINC000342859892 1119212071 /nfs/dbraw/zinc/21/20/71/1119212071.db2.gz KXCNJFPIIGNDKT-LJQANCHMSA-N 2 1 297.446 3.981 20 0 CHADMP CCC[N@@H+](CCCn1cc[nH+]c1C)[C@@H]1CCc2ccccc21 ZINC000342859892 1119212074 /nfs/dbraw/zinc/21/20/74/1119212074.db2.gz KXCNJFPIIGNDKT-LJQANCHMSA-N 2 1 297.446 3.981 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1F)C(C)C ZINC000342864759 1119215961 /nfs/dbraw/zinc/21/59/61/1119215961.db2.gz QIQKUKDTHHFYJO-UHFFFAOYSA-N 2 1 289.398 3.631 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1F)C(C)C ZINC000342864759 1119215964 /nfs/dbraw/zinc/21/59/64/1119215964.db2.gz QIQKUKDTHHFYJO-UHFFFAOYSA-N 2 1 289.398 3.631 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000342864726 1119216198 /nfs/dbraw/zinc/21/61/98/1119216198.db2.gz POYVHYSGTVLUBH-QGZVFWFLSA-N 2 1 285.435 3.959 20 0 CHADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000300328641 1119273515 /nfs/dbraw/zinc/27/35/15/1119273515.db2.gz PDTVREQOONSWSO-KSZLIROESA-N 2 1 280.500 3.911 20 0 CHADMP Cc1ccoc1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000343061196 1119294591 /nfs/dbraw/zinc/29/45/91/1119294591.db2.gz CSWRYHZTSPJSOF-UHFFFAOYSA-N 2 1 298.430 3.864 20 0 CHADMP Clc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000343097596 1119309841 /nfs/dbraw/zinc/30/98/41/1119309841.db2.gz VBZKJCFXWGCQFY-YQQAZPJKSA-N 2 1 290.838 3.544 20 0 CHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000261837077 1119357376 /nfs/dbraw/zinc/35/73/76/1119357376.db2.gz CCAFIZGQCNPDRJ-HUUCEWRRSA-N 2 1 292.426 3.816 20 0 CHADMP C[C@@H]1CC([N@H+]2CCC[C@@H]2C2CCCCC2)C[C@@H](C)[NH2+]1 ZINC000708386411 1119423903 /nfs/dbraw/zinc/42/39/03/1119423903.db2.gz MIINRQHBYMWJFW-CKEIUWERSA-N 2 1 264.457 3.560 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000583944370 1119437760 /nfs/dbraw/zinc/43/77/60/1119437760.db2.gz LIEDNZNZBHUSSA-INIZCTEOSA-N 2 1 299.462 3.912 20 0 CHADMP CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1ccccc1F ZINC000168758437 1119475398 /nfs/dbraw/zinc/47/53/98/1119475398.db2.gz WXFAEAUQZLZYJF-PBHICJAKSA-N 2 1 278.415 3.598 20 0 CHADMP Cc1cc[nH+]c(N[C@H]2CC[N@H+](C)C(C)(C)C2)c1C1CC1 ZINC000628337461 1128848905 /nfs/dbraw/zinc/84/89/05/1128848905.db2.gz GVONJJUHGQNLDP-AWEZNQCLSA-N 2 1 273.424 3.552 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C(C)(C)C(F)F ZINC000657838464 1119496355 /nfs/dbraw/zinc/49/63/55/1119496355.db2.gz UHWBVNCLMCNVKZ-KGLIPLIRSA-N 2 1 290.442 3.910 20 0 CHADMP CC(C)[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(F)cc1 ZINC000146572851 1119584287 /nfs/dbraw/zinc/58/42/87/1119584287.db2.gz WSXHNJGSDFQRME-QGZVFWFLSA-N 2 1 278.415 3.520 20 0 CHADMP CC(C)[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccc(F)cc1 ZINC000146572851 1119584288 /nfs/dbraw/zinc/58/42/88/1119584288.db2.gz WSXHNJGSDFQRME-QGZVFWFLSA-N 2 1 278.415 3.520 20 0 CHADMP CC(C)CCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000685455215 1119610580 /nfs/dbraw/zinc/61/05/80/1119610580.db2.gz KXMFLCVIAMZXSL-CVEARBPZSA-N 2 1 254.462 3.521 20 0 CHADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000685455659 1119610861 /nfs/dbraw/zinc/61/08/61/1119610861.db2.gz DYEPLTZXKGRUAL-GVDBMIGSSA-N 2 1 268.489 3.767 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1cccc2cnccc21 ZINC000685459571 1119612335 /nfs/dbraw/zinc/61/23/35/1119612335.db2.gz BTWFRMOIEWGQIH-UHFFFAOYSA-N 2 1 299.462 3.789 20 0 CHADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(Cl)c1Cl ZINC000271890230 1119615176 /nfs/dbraw/zinc/61/51/76/1119615176.db2.gz RSJVPYOKURMWRA-NSHDSACASA-N 2 1 299.245 3.906 20 0 CHADMP C[C@H]1CCC[C@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000708569537 1119616879 /nfs/dbraw/zinc/61/68/79/1119616879.db2.gz ZFVFYOQEVPWYDA-OGWHTMIXSA-N 2 1 286.463 3.533 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC(C)(C)F)cc1 ZINC000658193447 1119700056 /nfs/dbraw/zinc/70/00/56/1119700056.db2.gz UZWSGMCRDAGXAS-CYBMUJFWSA-N 2 1 289.398 3.970 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccsc2)C[C@H]1c1ccccc1 ZINC000340180629 1119745550 /nfs/dbraw/zinc/74/55/50/1119745550.db2.gz JIRQWQDAUBSHLS-IRXDYDNUSA-N 2 1 286.444 3.673 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccsc2)C[C@H]1c1ccccc1 ZINC000340180629 1119745551 /nfs/dbraw/zinc/74/55/51/1119745551.db2.gz JIRQWQDAUBSHLS-IRXDYDNUSA-N 2 1 286.444 3.673 20 0 CHADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2csc(C)c2)CC1 ZINC000394481436 1119758625 /nfs/dbraw/zinc/75/86/25/1119758625.db2.gz LMADASBNOCXCCD-AWEZNQCLSA-N 2 1 280.481 3.972 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CC(C)(C)C1 ZINC000708787060 1119845017 /nfs/dbraw/zinc/84/50/17/1119845017.db2.gz FMYWRDVMSYNCKW-JYJNAYRXSA-N 2 1 266.473 3.523 20 0 CHADMP CC[C@@H]1C[N@@H+](C[C@@H](C)c2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000647497461 1119847816 /nfs/dbraw/zinc/84/78/16/1119847816.db2.gz IOLAGWCVQOYTGR-IOASZLSFSA-N 2 1 280.843 3.503 20 0 CHADMP C[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000173867860 1119917202 /nfs/dbraw/zinc/91/72/02/1119917202.db2.gz DVKPGHKEZDFGLP-ZWKOTPCHSA-N 2 1 286.463 3.598 20 0 CHADMP CCC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000414188375 1119931262 /nfs/dbraw/zinc/93/12/62/1119931262.db2.gz QPMCBDZFVDLARZ-FUHWJXTLSA-N 2 1 274.452 3.849 20 0 CHADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cc(F)ccc1F ZINC000414187593 1119931756 /nfs/dbraw/zinc/93/17/56/1119931756.db2.gz QCRDIGKFVIHEAZ-CXAGYDPISA-N 2 1 296.405 3.737 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc2ccccc2n1 ZINC000414189815 1119933124 /nfs/dbraw/zinc/93/31/24/1119933124.db2.gz RJSOUNXUIMXFTR-JKSUJKDBSA-N 2 1 297.446 3.617 20 0 CHADMP Cc1cccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000414197491 1119934565 /nfs/dbraw/zinc/93/45/65/1119934565.db2.gz WNSYGTXLNKJAEE-SJORKVTESA-N 2 1 274.452 3.686 20 0 CHADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414198765 1119934991 /nfs/dbraw/zinc/93/49/91/1119934991.db2.gz WKIHMFLDRRYVBV-RBUKOAKNSA-N 2 1 288.479 3.575 20 0 CHADMP C[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)[C@H]1c1ccccc1 ZINC000472590612 1119989462 /nfs/dbraw/zinc/98/94/62/1119989462.db2.gz GTRYHWVICPDSGD-BPQIPLTHSA-N 2 1 272.436 3.554 20 0 CHADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)[C@H]1c1ccccc1 ZINC000472590612 1119989465 /nfs/dbraw/zinc/98/94/65/1119989465.db2.gz GTRYHWVICPDSGD-BPQIPLTHSA-N 2 1 272.436 3.554 20 0 CHADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)[C@H]1c1ccccc1 ZINC000472590612 1119989467 /nfs/dbraw/zinc/98/94/67/1119989467.db2.gz GTRYHWVICPDSGD-BPQIPLTHSA-N 2 1 272.436 3.554 20 0 CHADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)[C@H]1c1ccccc1 ZINC000472590612 1119989470 /nfs/dbraw/zinc/98/94/70/1119989470.db2.gz GTRYHWVICPDSGD-BPQIPLTHSA-N 2 1 272.436 3.554 20 0 CHADMP Cc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C2CCC2)cc1 ZINC000187188031 1120012955 /nfs/dbraw/zinc/01/29/55/1120012955.db2.gz NUYIGJOBGYWMMJ-APWZRJJASA-N 2 1 286.463 3.768 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000623657061 1120065606 /nfs/dbraw/zinc/06/56/06/1120065606.db2.gz IZWVFUJEYCZIKE-UONOGXRCSA-N 2 1 280.843 3.723 20 0 CHADMP CC(C)CCC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120782 1120066495 /nfs/dbraw/zinc/06/64/95/1120066495.db2.gz GWJCFKLOZJORDE-JKSUJKDBSA-N 2 1 254.462 3.523 20 0 CHADMP Cc1ccc([C@@H]([NH2+]CCC[NH+]2CCCC2)C2CCC2)o1 ZINC000542674234 1120100972 /nfs/dbraw/zinc/10/09/72/1120100972.db2.gz OOWUZQMIPAEQLG-KRWDZBQOSA-N 2 1 276.424 3.505 20 0 CHADMP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000181745908 1120143367 /nfs/dbraw/zinc/14/33/67/1120143367.db2.gz UVGBAIVMBMYQEI-GVDBMIGSSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000111695826 1120155148 /nfs/dbraw/zinc/15/51/48/1120155148.db2.gz NSHSDCRZGYIKTE-ZBFHGGJFSA-N 2 1 274.452 3.543 20 0 CHADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CC[C@H]1CCCC[NH+]1C ZINC000472730397 1120156297 /nfs/dbraw/zinc/15/62/97/1120156297.db2.gz BHFFNAOHOCPZLK-BHIYHBOVSA-N 2 1 286.463 3.739 20 0 CHADMP C[C@@H]1C[C@@H](c2ccccc2)C[NH+]1CC[C@H]1CCCC[N@@H+]1C ZINC000472730397 1120156298 /nfs/dbraw/zinc/15/62/98/1120156298.db2.gz BHFFNAOHOCPZLK-BHIYHBOVSA-N 2 1 286.463 3.739 20 0 CHADMP C[C@@H](c1ccc(F)cc1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000472763747 1120164657 /nfs/dbraw/zinc/16/46/57/1120164657.db2.gz NIBZMXJGWWIEQP-WMLDXEAASA-N 2 1 278.415 3.693 20 0 CHADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000472763747 1120164658 /nfs/dbraw/zinc/16/46/58/1120164658.db2.gz NIBZMXJGWWIEQP-WMLDXEAASA-N 2 1 278.415 3.693 20 0 CHADMP C[C@@H](c1ccc(F)cc1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000472763747 1120164659 /nfs/dbraw/zinc/16/46/59/1120164659.db2.gz NIBZMXJGWWIEQP-WMLDXEAASA-N 2 1 278.415 3.693 20 0 CHADMP C[C@@H](c1ccc(F)cc1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000472763747 1120164660 /nfs/dbraw/zinc/16/46/60/1120164660.db2.gz NIBZMXJGWWIEQP-WMLDXEAASA-N 2 1 278.415 3.693 20 0 CHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(c2ccccc2)CC1 ZINC000472773650 1120170836 /nfs/dbraw/zinc/17/08/36/1120170836.db2.gz OOQABIVGOGKFLY-IBGZPJMESA-N 2 1 286.463 3.740 20 0 CHADMP CC(C)C[C@H]1CCCCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000565154620 1120186153 /nfs/dbraw/zinc/18/61/53/1120186153.db2.gz AVFJNYDBXJHIKJ-MRXNPFEDSA-N 2 1 277.456 3.643 20 0 CHADMP CC(C)C[C@H]1CCCCC[N@H+]1CCCc1c[nH+]cn1C ZINC000565154620 1120186155 /nfs/dbraw/zinc/18/61/55/1120186155.db2.gz AVFJNYDBXJHIKJ-MRXNPFEDSA-N 2 1 277.456 3.643 20 0 CHADMP CC[C@@H](C)[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000020088951 1120195250 /nfs/dbraw/zinc/19/52/50/1120195250.db2.gz RZKPHBYIQLMNOD-CVEARBPZSA-N 2 1 274.452 3.675 20 0 CHADMP CC[C@@H](C)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000020088947 1120195544 /nfs/dbraw/zinc/19/55/44/1120195544.db2.gz RZKPHBYIQLMNOD-HZPDHXFCSA-N 2 1 274.452 3.675 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)C2CCC(F)(F)CC2)C1 ZINC001116755520 1120208236 /nfs/dbraw/zinc/20/82/36/1120208236.db2.gz LIWLDLISDSKKPT-KBPBESRZSA-N 2 1 288.426 3.522 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CC3CCC2CC3)C1 ZINC000394428744 1120219072 /nfs/dbraw/zinc/21/90/72/1120219072.db2.gz AUOIFVURPWVKFV-MEEPFQLTSA-N 2 1 278.484 3.521 20 0 CHADMP CC1(C)CC([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000395313950 1120229465 /nfs/dbraw/zinc/22/94/65/1120229465.db2.gz ZHFFWEJAYBJTTM-QGZVFWFLSA-N 2 1 286.463 3.677 20 0 CHADMP CC1(C)CC([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000395313948 1120229543 /nfs/dbraw/zinc/22/95/43/1120229543.db2.gz ZHFFWEJAYBJTTM-KRWDZBQOSA-N 2 1 286.463 3.677 20 0 CHADMP CCC[N@@H+](CCCc1ccc(Cl)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236826935 1128900823 /nfs/dbraw/zinc/90/08/23/1128900823.db2.gz DGXQVMNBMFDYMH-MRXNPFEDSA-N 2 1 294.870 3.594 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000338775573 1120295360 /nfs/dbraw/zinc/29/53/60/1120295360.db2.gz FXXGSJQLSKJXNR-KRWDZBQOSA-N 2 1 277.456 3.776 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cccc(SC)c2)C1 ZINC000659973617 1120318354 /nfs/dbraw/zinc/31/83/54/1120318354.db2.gz DJGWJNUMDXKBID-MRXNPFEDSA-N 2 1 292.492 3.572 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc(SC)c2)C1 ZINC000659973617 1120318357 /nfs/dbraw/zinc/31/83/57/1120318357.db2.gz DJGWJNUMDXKBID-MRXNPFEDSA-N 2 1 292.492 3.572 20 0 CHADMP Cc1cccc(NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000309932083 1120326881 /nfs/dbraw/zinc/32/68/81/1120326881.db2.gz ZNGVYWBUMUHDCI-IBGZPJMESA-N 2 1 295.430 3.714 20 0 CHADMP Cc1cccc(NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000309932083 1120326884 /nfs/dbraw/zinc/32/68/84/1120326884.db2.gz ZNGVYWBUMUHDCI-IBGZPJMESA-N 2 1 295.430 3.714 20 0 CHADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000672603020 1120332198 /nfs/dbraw/zinc/33/21/98/1120332198.db2.gz JOGWLJYWTVXXNN-QRVBRYPASA-N 2 1 286.463 3.677 20 0 CHADMP CC(C)[C@@H](C)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309650282 1120343193 /nfs/dbraw/zinc/34/31/93/1120343193.db2.gz GFNBGDUALZYRMN-SJLPKXTDSA-N 2 1 274.452 3.533 20 0 CHADMP Cc1sccc1C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000339181977 1120346504 /nfs/dbraw/zinc/34/65/04/1120346504.db2.gz HGIKUWIXIDEGPO-CQSZACIVSA-N 2 1 280.481 3.801 20 0 CHADMP Cc1ccnc(NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000309796247 1120356537 /nfs/dbraw/zinc/35/65/37/1120356537.db2.gz IULDLMVXDCFJEI-LJQANCHMSA-N 2 1 295.430 3.714 20 0 CHADMP Cc1cc[nH+]c(NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000309796247 1120356539 /nfs/dbraw/zinc/35/65/39/1120356539.db2.gz IULDLMVXDCFJEI-LJQANCHMSA-N 2 1 295.430 3.714 20 0 CHADMP Cc1cc[nH+]c(NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000309796247 1120356543 /nfs/dbraw/zinc/35/65/43/1120356543.db2.gz IULDLMVXDCFJEI-LJQANCHMSA-N 2 1 295.430 3.714 20 0 CHADMP CCCC1(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000584669055 1120404528 /nfs/dbraw/zinc/40/45/28/1120404528.db2.gz FFUAFRDIYOHWGP-ZWKOTPCHSA-N 2 1 286.463 3.992 20 0 CHADMP CCCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000584669055 1120404530 /nfs/dbraw/zinc/40/45/30/1120404530.db2.gz FFUAFRDIYOHWGP-ZWKOTPCHSA-N 2 1 286.463 3.992 20 0 CHADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2(CF)CCC2)CC1 ZINC000584720658 1120420544 /nfs/dbraw/zinc/42/05/44/1120420544.db2.gz JHIBHJJPAGGZQG-HOCLYGCPSA-N 2 1 282.447 3.511 20 0 CHADMP CC[C@@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1)[NH+]1CCCC1 ZINC000417332723 1120429015 /nfs/dbraw/zinc/42/90/15/1120429015.db2.gz XQDADNPEIKWPNL-FXUDXRNXSA-N 2 1 292.492 3.704 20 0 CHADMP CC[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)[NH+]1CCCC1 ZINC000417332728 1120429098 /nfs/dbraw/zinc/42/90/98/1120429098.db2.gz XQDADNPEIKWPNL-YHUYYLMFSA-N 2 1 292.492 3.704 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417367583 1120438620 /nfs/dbraw/zinc/43/86/20/1120438620.db2.gz NZJHRRMFZWJTCI-LVQVYYBASA-N 2 1 292.492 3.562 20 0 CHADMP C[C@@H]([NH2+]CCCC1CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660255337 1120467833 /nfs/dbraw/zinc/46/78/33/1120467833.db2.gz BIKHNUHUVDQPIM-NVXWUHKLSA-N 2 1 278.484 3.809 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256034 1120468826 /nfs/dbraw/zinc/46/88/26/1120468826.db2.gz IDOMVLYDEVXEOO-TZNCUMHOSA-N 2 1 290.495 3.665 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000119704473 1120479584 /nfs/dbraw/zinc/47/95/84/1120479584.db2.gz NQKKSPDYDBRVHA-KUHUBIRLSA-N 2 1 284.447 3.841 20 0 CHADMP CC(C)C[C@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000019913243 1120492228 /nfs/dbraw/zinc/49/22/28/1120492228.db2.gz AYPYIMFIJPPYSH-INIZCTEOSA-N 2 1 262.441 3.533 20 0 CHADMP Cc1occc1C[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000320917885 1120519150 /nfs/dbraw/zinc/51/91/50/1120519150.db2.gz JXNYQLHDZKECMT-IBGZPJMESA-N 2 1 298.430 3.590 20 0 CHADMP Cc1occc1C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000320917885 1120519153 /nfs/dbraw/zinc/51/91/53/1120519153.db2.gz JXNYQLHDZKECMT-IBGZPJMESA-N 2 1 298.430 3.590 20 0 CHADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000543472394 1120529437 /nfs/dbraw/zinc/52/94/37/1120529437.db2.gz FVVAMCGKFCRCFP-BQFCYCMXSA-N 2 1 274.452 3.643 20 0 CHADMP CC(C)[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H](C)c1ccccc1 ZINC000428875514 1120548352 /nfs/dbraw/zinc/54/83/52/1120548352.db2.gz UYWKTMGXIFFCBJ-FUHWJXTLSA-N 2 1 274.452 3.942 20 0 CHADMP CC(C)[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H](C)c1ccccc1 ZINC000428875514 1120548356 /nfs/dbraw/zinc/54/83/56/1120548356.db2.gz UYWKTMGXIFFCBJ-FUHWJXTLSA-N 2 1 274.452 3.942 20 0 CHADMP CC(C)[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H](C)c1ccccc1 ZINC000428875514 1120548360 /nfs/dbraw/zinc/54/83/60/1120548360.db2.gz UYWKTMGXIFFCBJ-FUHWJXTLSA-N 2 1 274.452 3.942 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000226333577 1120578521 /nfs/dbraw/zinc/57/85/21/1120578521.db2.gz CIKUQFYMGUTUBD-UHFFFAOYSA-N 2 1 268.489 3.911 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC[C@H]2CCc3ccccc32)CC1 ZINC000660416643 1120590008 /nfs/dbraw/zinc/59/00/08/1120590008.db2.gz VEYCAQBLNUBJAH-QZTJIDSGSA-N 2 1 286.463 3.523 20 0 CHADMP CC1=CC[C@H](CC[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)C1(C)C ZINC001222421118 1120595247 /nfs/dbraw/zinc/59/52/47/1120595247.db2.gz IOLSTFLSWHAFFY-SJLPKXTDSA-N 2 1 276.468 3.587 20 0 CHADMP CC1=CC[C@H](CC[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)C1(C)C ZINC001222421118 1120595250 /nfs/dbraw/zinc/59/52/50/1120595250.db2.gz IOLSTFLSWHAFFY-SJLPKXTDSA-N 2 1 276.468 3.587 20 0 CHADMP Cc1cc(C)c(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)c(C)c1 ZINC000544132041 1120636571 /nfs/dbraw/zinc/63/65/71/1120636571.db2.gz DFVCXJCKGNUEJO-UHFFFAOYSA-N 2 1 286.463 3.672 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660656449 1120674391 /nfs/dbraw/zinc/67/43/91/1120674391.db2.gz UJIAUNNJXSCGHK-WMLDXEAASA-N 2 1 292.854 3.819 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000511875836 1120686499 /nfs/dbraw/zinc/68/64/99/1120686499.db2.gz UXIVNDYMBUFOMU-WTGUMLROSA-N 2 1 298.474 3.739 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000511875833 1120686916 /nfs/dbraw/zinc/68/69/16/1120686916.db2.gz UXIVNDYMBUFOMU-IYWMVGAKSA-N 2 1 298.474 3.739 20 0 CHADMP CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000257709775 1120742686 /nfs/dbraw/zinc/74/26/86/1120742686.db2.gz NMFDGRWHHCXPOB-CRAIPNDOSA-N 2 1 272.436 3.556 20 0 CHADMP c1cc2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2s1 ZINC000651863415 1120765295 /nfs/dbraw/zinc/76/52/95/1120765295.db2.gz IBWDLYSSTFUUCX-HZPDHXFCSA-N 2 1 286.444 3.618 20 0 CHADMP [NH3+][C@@H]1CCC[C@H](Nc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000115337649 1120893992 /nfs/dbraw/zinc/89/39/92/1120893992.db2.gz NAWYTIYMCPBBRY-NEPJUHHUSA-N 2 1 275.783 3.570 20 0 CHADMP CCC1([NH3+])CC[NH+]([C@@H](C)c2cnc3ccsc3c2)CC1 ZINC000925755362 1120900421 /nfs/dbraw/zinc/90/04/21/1120900421.db2.gz DYDWBFHNNNFBFY-LBPRGKRZSA-N 2 1 289.448 3.561 20 0 CHADMP CCC1([NH3+])CC[NH+]([C@H](C)c2sc(C(C)C)nc2C)CC1 ZINC000925757944 1120903354 /nfs/dbraw/zinc/90/33/54/1120903354.db2.gz XICHBESQDBHNNO-CYBMUJFWSA-N 2 1 295.496 3.839 20 0 CHADMP Cc1ccc([C@@H](C)C[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000628304865 1120910528 /nfs/dbraw/zinc/91/05/28/1120910528.db2.gz YPBGLJQNFQSIRL-INIZCTEOSA-N 2 1 274.452 3.563 20 0 CHADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000662272463 1120914508 /nfs/dbraw/zinc/91/45/08/1120914508.db2.gz NPYJLUVCNIJMMF-YQVWRLOYSA-N 2 1 286.463 3.631 20 0 CHADMP C[C@@H]1CC2(C[N@H+]1CC[C@@H]1CCc3ccccc31)CC[NH2+]CC2 ZINC000662283161 1120919241 /nfs/dbraw/zinc/91/92/41/1120919241.db2.gz LZSKMCZIVOTJEU-AEFFLSMTSA-N 2 1 298.474 3.571 20 0 CHADMP CC(C)c1cccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000663327650 1120934252 /nfs/dbraw/zinc/93/42/52/1120934252.db2.gz GELLNMKXGXCBBB-MRXNPFEDSA-N 2 1 274.452 3.632 20 0 CHADMP CC1(C)C[C@]1([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000663340721 1120939357 /nfs/dbraw/zinc/93/93/57/1120939357.db2.gz DATSSAJUVGKWFA-SCTDSRPQSA-N 2 1 284.447 3.528 20 0 CHADMP Clc1ccsc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344002 1120940498 /nfs/dbraw/zinc/94/04/98/1120940498.db2.gz LVAMXUAVPSGIOZ-CYBMUJFWSA-N 2 1 298.883 3.613 20 0 CHADMP Clc1ccsc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344002 1120940502 /nfs/dbraw/zinc/94/05/02/1120940502.db2.gz LVAMXUAVPSGIOZ-CYBMUJFWSA-N 2 1 298.883 3.613 20 0 CHADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344067 1120940775 /nfs/dbraw/zinc/94/07/75/1120940775.db2.gz NIYAYHBXDBUDFM-OIISXLGYSA-N 2 1 278.484 3.523 20 0 CHADMP Clc1sccc1CNC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344817 1120941493 /nfs/dbraw/zinc/94/14/93/1120941493.db2.gz YBAUGEOCNOOXAQ-ZDUSSCGKSA-N 2 1 298.883 3.613 20 0 CHADMP C([NH2+][C@@H](C1CC1)C1CCCC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663464998 1120979555 /nfs/dbraw/zinc/97/95/55/1120979555.db2.gz HWILUSWABPLYKU-QFBILLFUSA-N 2 1 290.495 3.667 20 0 CHADMP C([NH2+]C(C1CCC1)C1CCC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466237 1120980948 /nfs/dbraw/zinc/98/09/48/1120980948.db2.gz PVPLIUZADSFQNB-MRXNPFEDSA-N 2 1 290.495 3.667 20 0 CHADMP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663464145 1120981048 /nfs/dbraw/zinc/98/10/48/1120981048.db2.gz COWVDGNIRSDRPD-GVDBMIGSSA-N 2 1 278.484 3.523 20 0 CHADMP C([NH2+][C@H]1CCCC12CCCC2)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663465863 1120981062 /nfs/dbraw/zinc/98/10/62/1120981062.db2.gz LZOXZLRPPWCMRC-MSOLQXFVSA-N 2 1 290.495 3.811 20 0 CHADMP C[C@H](CC1CCCC1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663470221 1120984986 /nfs/dbraw/zinc/98/49/86/1120984986.db2.gz TTXJHVYICVPVLQ-CRAIPNDOSA-N 2 1 278.484 3.667 20 0 CHADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469594 1120985072 /nfs/dbraw/zinc/98/50/72/1120985072.db2.gz QWWQMVKWKKGAAA-BZSNNMDCSA-N 2 1 278.484 3.523 20 0 CHADMP CC[C@H](C)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390812356 1120991395 /nfs/dbraw/zinc/99/13/95/1120991395.db2.gz XNYQWONUAMZBAN-LZLYRXPVSA-N 2 1 274.452 3.533 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CC1CC1)C(C)C ZINC001167824253 1120996463 /nfs/dbraw/zinc/99/64/63/1120996463.db2.gz CVWJEUBKRGVHDI-HNNXBMFYSA-N 2 1 254.462 3.617 20 0 CHADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(-c2ccc(F)cc2)s1 ZINC000643528176 1121007861 /nfs/dbraw/zinc/00/78/61/1121007861.db2.gz DZVDDXIQKSALNB-GHMZBOCLSA-N 2 1 278.396 3.552 20 0 CHADMP CC[C@@H]1CCCC[N@H+]1[C@@H](C)CCC[NH+](CC)CC ZINC001167837821 1121040811 /nfs/dbraw/zinc/04/08/11/1121040811.db2.gz MXWZVJYMYNMDEW-JKSUJKDBSA-N 2 1 254.462 3.761 20 0 CHADMP CC[N@@H+](C)C1CCN(CCCc2cccc(Cl)c2)CC1 ZINC001207593250 1121041632 /nfs/dbraw/zinc/04/16/32/1121041632.db2.gz GUJYQYQAVOUVSB-UHFFFAOYSA-N 2 1 294.870 3.689 20 0 CHADMP CC[N@H+](C)C1CC[NH+](CCCc2cccc(Cl)c2)CC1 ZINC001207593250 1121041638 /nfs/dbraw/zinc/04/16/38/1121041638.db2.gz GUJYQYQAVOUVSB-UHFFFAOYSA-N 2 1 294.870 3.689 20 0 CHADMP CC[N@@H+](C)C1CC[NH+](CCCc2cccc(Cl)c2)CC1 ZINC001207593250 1121041644 /nfs/dbraw/zinc/04/16/44/1121041644.db2.gz GUJYQYQAVOUVSB-UHFFFAOYSA-N 2 1 294.870 3.689 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)CCc1cccc(F)c1 ZINC001167842367 1121065531 /nfs/dbraw/zinc/06/55/31/1121065531.db2.gz WPFXKKNXEHSRAF-MRXNPFEDSA-N 2 1 294.458 3.811 20 0 CHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512184091 1121149355 /nfs/dbraw/zinc/14/93/55/1121149355.db2.gz WLSAUIWAPQOMTJ-IBGZPJMESA-N 2 1 286.463 3.631 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(Cl)c2)[C@H](C)C1 ZINC000093638921 1128966225 /nfs/dbraw/zinc/96/62/25/1128966225.db2.gz PWKCEOWHDLVCEE-MLGOLLRUSA-N 2 1 298.833 3.641 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(Cl)c2)[C@H](C)C1 ZINC000093638921 1128966229 /nfs/dbraw/zinc/96/62/29/1128966229.db2.gz PWKCEOWHDLVCEE-MLGOLLRUSA-N 2 1 298.833 3.641 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)c(Cl)c2)[C@H](C)C1 ZINC000093638921 1128966233 /nfs/dbraw/zinc/96/62/33/1128966233.db2.gz PWKCEOWHDLVCEE-MLGOLLRUSA-N 2 1 298.833 3.641 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(Cl)c2)[C@H](C)C1 ZINC000093638921 1128966234 /nfs/dbraw/zinc/96/62/34/1128966234.db2.gz PWKCEOWHDLVCEE-MLGOLLRUSA-N 2 1 298.833 3.641 20 0 CHADMP CC1(C[NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CCC1 ZINC000435741276 1121200496 /nfs/dbraw/zinc/20/04/96/1121200496.db2.gz INFUSAZUGFAUNS-INIZCTEOSA-N 2 1 264.457 3.563 20 0 CHADMP CC[C@@H](C[NH+]1CCCC1)Nc1cc[nH+]c2cc(F)ccc12 ZINC000675151138 1121222529 /nfs/dbraw/zinc/22/25/29/1121222529.db2.gz HRIZDIZEQHXICG-AWEZNQCLSA-N 2 1 287.382 3.660 20 0 CHADMP CC[C@H](C)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512244245 1121222653 /nfs/dbraw/zinc/22/26/53/1121222653.db2.gz NEKOYJBOMGTRQJ-PKOBYXMFSA-N 2 1 286.463 3.631 20 0 CHADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+]([C@H]4C=CCCC4)C3)C2)cc1 ZINC000512245950 1121224389 /nfs/dbraw/zinc/22/43/89/1121224389.db2.gz UDSZPGWSHSKQRB-PMACEKPBSA-N 2 1 296.458 3.693 20 0 CHADMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+]([C@H]4C=CCCC4)C3)C2)cc1 ZINC000512245950 1121224394 /nfs/dbraw/zinc/22/43/94/1121224394.db2.gz UDSZPGWSHSKQRB-PMACEKPBSA-N 2 1 296.458 3.693 20 0 CHADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+]([C@H]4C=CCCC4)C3)C2)cc1 ZINC000512245950 1121224399 /nfs/dbraw/zinc/22/43/99/1121224399.db2.gz UDSZPGWSHSKQRB-PMACEKPBSA-N 2 1 296.458 3.693 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CCN(C/C(C)=C/c2ccccc2)C1 ZINC000093742256 1128972819 /nfs/dbraw/zinc/97/28/19/1128972819.db2.gz MXBXWKDWBUVCKD-XEYRCQSKSA-N 2 1 286.463 3.754 20 0 CHADMP CCC[N@H+](C)C[C@H]1CC[NH+](C/C(C)=C/c2ccccc2)C1 ZINC000093742256 1128972822 /nfs/dbraw/zinc/97/28/22/1128972822.db2.gz MXBXWKDWBUVCKD-XEYRCQSKSA-N 2 1 286.463 3.754 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C/C(C)=C/c2ccccc2)C1 ZINC000093742256 1128972825 /nfs/dbraw/zinc/97/28/25/1128972825.db2.gz MXBXWKDWBUVCKD-XEYRCQSKSA-N 2 1 286.463 3.754 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](C/C(C)=C/c2ccccc2)C1 ZINC000093742256 1128972830 /nfs/dbraw/zinc/97/28/30/1128972830.db2.gz MXBXWKDWBUVCKD-XEYRCQSKSA-N 2 1 286.463 3.754 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C/C(C)=C/c2ccccc2)C1 ZINC000093742256 1128972831 /nfs/dbraw/zinc/97/28/31/1128972831.db2.gz MXBXWKDWBUVCKD-XEYRCQSKSA-N 2 1 286.463 3.754 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc2ccccc21 ZINC000124368100 1121294228 /nfs/dbraw/zinc/29/42/28/1121294228.db2.gz MWMNGBIIAZCORE-HOTGVXAUSA-N 2 1 294.442 3.975 20 0 CHADMP C[N@H+]1CCC[C@@]2(CC[NH+](CC[C@H]3CCc4ccccc43)C2)C1 ZINC000660642728 1121325225 /nfs/dbraw/zinc/32/52/25/1121325225.db2.gz UXVOEVUHUJVEBF-UYAOXDASSA-N 2 1 298.474 3.524 20 0 CHADMP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000675752491 1121350020 /nfs/dbraw/zinc/35/00/20/1121350020.db2.gz WFYGTZNHDWZQSY-BBWFWOEESA-N 2 1 272.436 3.581 20 0 CHADMP Cc1occc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000675780397 1121356207 /nfs/dbraw/zinc/35/62/07/1121356207.db2.gz XWEVDGZBWSMBBH-KDOFPFPSSA-N 2 1 290.451 3.721 20 0 CHADMP Fc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc12 ZINC000631044808 1128980845 /nfs/dbraw/zinc/98/08/45/1128980845.db2.gz NWYHUDADMRRZRD-HZPDHXFCSA-N 2 1 298.405 3.695 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000432815847 1121382919 /nfs/dbraw/zinc/38/29/19/1121382919.db2.gz KTKPXLHMSMJGOJ-INIZCTEOSA-N 2 1 294.870 3.873 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000432815847 1121382928 /nfs/dbraw/zinc/38/29/28/1121382928.db2.gz KTKPXLHMSMJGOJ-INIZCTEOSA-N 2 1 294.870 3.873 20 0 CHADMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC001175610938 1121411580 /nfs/dbraw/zinc/41/15/80/1121411580.db2.gz JDXGQVNRUPSOFE-SFHVURJKSA-N 2 1 278.484 3.765 20 0 CHADMP Cc1cccc([C@@H](C)[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1 ZINC001175767620 1121459668 /nfs/dbraw/zinc/45/96/68/1121459668.db2.gz JGESLLOCYMURTA-DLBZAZTESA-N 2 1 295.430 3.662 20 0 CHADMP c1c[nH+]c(Nc2ccc([NH+]3CCCCCC3)cc2)[nH]1 ZINC001176084499 1121535209 /nfs/dbraw/zinc/53/52/09/1121535209.db2.gz NXVQXNCLSIXBNA-UHFFFAOYSA-N 2 1 256.353 3.534 20 0 CHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)c1ccncc1 ZINC000626062173 1121593385 /nfs/dbraw/zinc/59/33/85/1121593385.db2.gz KDRPGZKJJURMRQ-MRXNPFEDSA-N 2 1 297.446 3.726 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCC3(CCCCC3)CC2)C1 ZINC000466743551 1121594968 /nfs/dbraw/zinc/59/49/68/1121594968.db2.gz ONJDMBQCGFHWOW-MRXNPFEDSA-N 2 1 278.484 3.811 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+]C2CCC3(CCCCC3)CC2)CC1 ZINC000466744319 1121596569 /nfs/dbraw/zinc/59/65/69/1121596569.db2.gz PYOHDXIPUACJFV-UHFFFAOYSA-N 2 1 276.468 3.731 20 0 CHADMP Cc1c2ccccc2oc1[C@@H](C)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000152698384 1128999252 /nfs/dbraw/zinc/99/92/52/1128999252.db2.gz NDXGJIUBILMXAA-BPLDGKMQSA-N 2 1 286.419 3.875 20 0 CHADMP Cc1c2ccccc2oc1[C@@H](C)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000152698384 1128999254 /nfs/dbraw/zinc/99/92/54/1128999254.db2.gz NDXGJIUBILMXAA-BPLDGKMQSA-N 2 1 286.419 3.875 20 0 CHADMP Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1 ZINC000261747655 1121690898 /nfs/dbraw/zinc/69/08/98/1121690898.db2.gz BZWODTKXUVYZDN-WDSOQIARSA-N 2 1 286.463 3.563 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(CC)cc2)CC1 ZINC001204178815 1121697272 /nfs/dbraw/zinc/69/72/72/1121697272.db2.gz FEUBKOHGPKKAEY-UHFFFAOYSA-N 2 1 288.479 3.945 20 0 CHADMP Cc1cc(C)c(/C=C/C[NH2+]C2CC[NH+](C3CC3)CC2)cc1C ZINC001177161909 1121716097 /nfs/dbraw/zinc/71/60/97/1121716097.db2.gz GWMDLCYCEJODLB-SNAWJCMRSA-N 2 1 298.474 3.841 20 0 CHADMP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@@H](SC)C1)[NH+](C)C ZINC001177209027 1121716843 /nfs/dbraw/zinc/71/68/43/1121716843.db2.gz FHQHOAJWGGYLSA-OAGGEKHMSA-N 2 1 286.529 3.617 20 0 CHADMP C[C@H](C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001177261530 1121721214 /nfs/dbraw/zinc/72/12/14/1121721214.db2.gz FTSBFDANKSSUOV-TWMKSMIVSA-N 2 1 280.500 3.911 20 0 CHADMP C[C@H](C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001177261530 1121721218 /nfs/dbraw/zinc/72/12/18/1121721218.db2.gz FTSBFDANKSSUOV-TWMKSMIVSA-N 2 1 280.500 3.911 20 0 CHADMP C[NH+]1CCC([NH2+]Cc2ccccc2-c2ccccc2)CC1 ZINC000727644899 1121729529 /nfs/dbraw/zinc/72/95/29/1121729529.db2.gz YDCZEVQKLGLJSQ-UHFFFAOYSA-N 2 1 280.415 3.537 20 0 CHADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@@H]1CC=CCC1 ZINC001177741698 1121747540 /nfs/dbraw/zinc/74/75/40/1121747540.db2.gz BVMWIHIHRAWOHY-SJORKVTESA-N 2 1 264.457 3.587 20 0 CHADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+]C[C@@H]1CC=CCC1 ZINC001177741698 1121747546 /nfs/dbraw/zinc/74/75/46/1121747546.db2.gz BVMWIHIHRAWOHY-SJORKVTESA-N 2 1 264.457 3.587 20 0 CHADMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC001204940100 1121762859 /nfs/dbraw/zinc/76/28/59/1121762859.db2.gz VNTWGSCOONTSMS-LJQANCHMSA-N 2 1 280.415 3.667 20 0 CHADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC001204940100 1121762864 /nfs/dbraw/zinc/76/28/64/1121762864.db2.gz VNTWGSCOONTSMS-LJQANCHMSA-N 2 1 280.415 3.667 20 0 CHADMP Cc1c(C)c(C)c(C[N@@H+]2CCC[C@](C)([NH3+])C2)c(C)c1C ZINC001204946722 1121771798 /nfs/dbraw/zinc/77/17/98/1121771798.db2.gz RQNDOVCHNDXCAS-SFHVURJKSA-N 2 1 274.452 3.542 20 0 CHADMP Cc1c(C)c(C)c(C[N@H+]2CCC[C@](C)([NH3+])C2)c(C)c1C ZINC001204946722 1121771803 /nfs/dbraw/zinc/77/18/03/1121771803.db2.gz RQNDOVCHNDXCAS-SFHVURJKSA-N 2 1 274.452 3.542 20 0 CHADMP Cc1c(F)ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1Cl ZINC001206325750 1121779730 /nfs/dbraw/zinc/77/97/30/1121779730.db2.gz IUFOBTPGALDWDF-INIZCTEOSA-N 2 1 298.833 3.738 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(F)cc1Cl ZINC001206326948 1121782154 /nfs/dbraw/zinc/78/21/54/1121782154.db2.gz RAUUDRMDYJGPNR-INIZCTEOSA-N 2 1 298.833 3.738 20 0 CHADMP CSc1cc(C)cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206326495 1121783133 /nfs/dbraw/zinc/78/31/33/1121783133.db2.gz OFVYWJGGUWFGQU-KRWDZBQOSA-N 2 1 292.492 3.668 20 0 CHADMP Cc1ccccc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001178458308 1121788544 /nfs/dbraw/zinc/78/85/44/1121788544.db2.gz ZNBSAQWJUWWGIH-WMZOPIPTSA-N 2 1 286.463 3.738 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c3ccoc3ccc2F)CC1 ZINC001206336686 1121800330 /nfs/dbraw/zinc/80/03/30/1121800330.db2.gz NDLITVNLFCNLLB-KRWDZBQOSA-N 2 1 290.382 3.523 20 0 CHADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(C2CCC2)cc1 ZINC000631622297 1129014013 /nfs/dbraw/zinc/01/40/13/1129014013.db2.gz QTJBCNKTUMHDMW-AWEZNQCLSA-N 2 1 283.419 3.581 20 0 CHADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC001179829679 1121912970 /nfs/dbraw/zinc/91/29/70/1121912970.db2.gz GDLPOHNTEUKUCW-ZDUSSCGKSA-N 2 1 298.858 3.559 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C3CC3)cc2)[C@@H](C)C1 ZINC001179906658 1121929066 /nfs/dbraw/zinc/92/90/66/1121929066.db2.gz ZLGOKHIDONMNLM-KXBFYZLASA-N 2 1 286.463 3.726 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C3CC3)cc2)[C@@H](C)C1 ZINC001179906658 1121929073 /nfs/dbraw/zinc/92/90/73/1121929073.db2.gz ZLGOKHIDONMNLM-KXBFYZLASA-N 2 1 286.463 3.726 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C3CC3)cc2)[C@@H](C)C1 ZINC001179906658 1121929078 /nfs/dbraw/zinc/92/90/78/1121929078.db2.gz ZLGOKHIDONMNLM-KXBFYZLASA-N 2 1 286.463 3.726 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)CCC)CC1 ZINC000501100052 1121954452 /nfs/dbraw/zinc/95/44/52/1121954452.db2.gz HKYJWGSJSDAYFP-HNNXBMFYSA-N 2 1 254.462 3.619 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)CCC)CC1 ZINC000501100053 1121954489 /nfs/dbraw/zinc/95/44/89/1121954489.db2.gz HKYJWGSJSDAYFP-OAHLLOKOSA-N 2 1 254.462 3.619 20 0 CHADMP CC[NH+]1CCC(C[N@H+]2CCCC3(CCCCC3)C2)CC1 ZINC001180296470 1121976818 /nfs/dbraw/zinc/97/68/18/1121976818.db2.gz IKYRKOZYJKNHEH-UHFFFAOYSA-N 2 1 278.484 3.765 20 0 CHADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccccc2Oc2ccccc2)C1 ZINC000420312223 1121996805 /nfs/dbraw/zinc/99/68/05/1121996805.db2.gz RYMFELNDBVCTOU-CVEARBPZSA-N 2 1 296.414 3.648 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000420304141 1121997676 /nfs/dbraw/zinc/99/76/76/1121997676.db2.gz KYOWJKSBZSSFAZ-KBPBESRZSA-N 2 1 292.854 3.865 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000420304143 1121997971 /nfs/dbraw/zinc/99/79/71/1121997971.db2.gz KYOWJKSBZSSFAZ-UONOGXRCSA-N 2 1 292.854 3.865 20 0 CHADMP Cc1ccc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)s1 ZINC000420298874 1121998546 /nfs/dbraw/zinc/99/85/46/1121998546.db2.gz IDSLBNABZSHHBR-HUUCEWRRSA-N 2 1 278.465 3.583 20 0 CHADMP Clc1ccc([C@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000420298111 1121998621 /nfs/dbraw/zinc/99/86/21/1121998621.db2.gz GSZMGYKHMFDWPV-ZBFHGGJFSA-N 2 1 292.854 3.519 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420317142 1122000824 /nfs/dbraw/zinc/00/08/24/1122000824.db2.gz NIPFUVQLBCPSJI-WMZOPIPTSA-N 2 1 272.436 3.522 20 0 CHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420946058 1122048426 /nfs/dbraw/zinc/04/84/26/1122048426.db2.gz LMQIXPMOMHTETJ-ZIAGYGMSSA-N 2 1 292.389 3.525 20 0 CHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420946058 1122048431 /nfs/dbraw/zinc/04/84/31/1122048431.db2.gz LMQIXPMOMHTETJ-ZIAGYGMSSA-N 2 1 292.389 3.525 20 0 CHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420946058 1122048437 /nfs/dbraw/zinc/04/84/37/1122048437.db2.gz LMQIXPMOMHTETJ-ZIAGYGMSSA-N 2 1 292.389 3.525 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCCC(C)(C)C1 ZINC001182151806 1122115183 /nfs/dbraw/zinc/11/51/83/1122115183.db2.gz CXXICMWEKOLUTG-GJZGRUSLSA-N 2 1 254.462 3.665 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CC3(C2)CCCCC3)C1 ZINC000421322067 1122092768 /nfs/dbraw/zinc/09/27/68/1122092768.db2.gz FODICIGADVRNFH-INIZCTEOSA-N 2 1 278.484 3.809 20 0 CHADMP Cc1ccc(CC[NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)cc1 ZINC001181932614 1122097768 /nfs/dbraw/zinc/09/77/68/1122097768.db2.gz GLQQIBOTDLGARA-IBGZPJMESA-N 2 1 288.479 3.638 20 0 CHADMP CC(C)[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(F)cc1 ZINC000502536436 1122101331 /nfs/dbraw/zinc/10/13/31/1122101331.db2.gz WPGNRACAIXHVBO-DLBZAZTESA-N 2 1 278.415 3.597 20 0 CHADMP FC(F)C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000421375529 1122103680 /nfs/dbraw/zinc/10/36/80/1122103680.db2.gz QFNNJOHWBJTADC-XHSDSOJGSA-N 2 1 294.389 3.599 20 0 CHADMP FC(F)C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000421375529 1122103687 /nfs/dbraw/zinc/10/36/87/1122103687.db2.gz QFNNJOHWBJTADC-XHSDSOJGSA-N 2 1 294.389 3.599 20 0 CHADMP C[N@@H+](CCCC[NH2+]C1CC2(C1)CCCCC2)C1CC1 ZINC000421380119 1122105519 /nfs/dbraw/zinc/10/55/19/1122105519.db2.gz JOEWFSGLVMTRER-UHFFFAOYSA-N 2 1 264.457 3.563 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CCCC(C)(C)C1 ZINC001182151806 1122115181 /nfs/dbraw/zinc/11/51/81/1122115181.db2.gz CXXICMWEKOLUTG-GJZGRUSLSA-N 2 1 254.462 3.665 20 0 CHADMP CC[C@H](C)[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000502685416 1122136605 /nfs/dbraw/zinc/13/66/05/1122136605.db2.gz UMPHQMHWIMZRAV-WMZOPIPTSA-N 2 1 274.452 3.771 20 0 CHADMP CC[C@H](C)[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000502685416 1122136610 /nfs/dbraw/zinc/13/66/10/1122136610.db2.gz UMPHQMHWIMZRAV-WMZOPIPTSA-N 2 1 274.452 3.771 20 0 CHADMP CC[C@H](C)[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000502685416 1122136613 /nfs/dbraw/zinc/13/66/13/1122136613.db2.gz UMPHQMHWIMZRAV-WMZOPIPTSA-N 2 1 274.452 3.771 20 0 CHADMP CC(C)[C@H](c1ccccc1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000502853973 1122152267 /nfs/dbraw/zinc/15/22/67/1122152267.db2.gz DMYMEJGNIJXCGX-ZWKOTPCHSA-N 2 1 274.452 3.800 20 0 CHADMP CC(C)[C@H](c1ccccc1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000502853973 1122152271 /nfs/dbraw/zinc/15/22/71/1122152271.db2.gz DMYMEJGNIJXCGX-ZWKOTPCHSA-N 2 1 274.452 3.800 20 0 CHADMP CC(C)CC[C@H]1CCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000503064603 1122164615 /nfs/dbraw/zinc/16/46/15/1122164615.db2.gz SALMTYUYTHSFKW-IAGOWNOFSA-N 2 1 266.473 3.761 20 0 CHADMP CC(C)CC[C@H]1CCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000503064603 1122164617 /nfs/dbraw/zinc/16/46/17/1122164617.db2.gz SALMTYUYTHSFKW-IAGOWNOFSA-N 2 1 266.473 3.761 20 0 CHADMP Cc1ccc(C)c([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)c1 ZINC000503064540 1122164999 /nfs/dbraw/zinc/16/49/99/1122164999.db2.gz RFWKTOQUBSDCIX-IEBWSBKVSA-N 2 1 286.463 3.925 20 0 CHADMP Cc1ccc(C)c([C@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)c1 ZINC000503064540 1122165001 /nfs/dbraw/zinc/16/50/01/1122165001.db2.gz RFWKTOQUBSDCIX-IEBWSBKVSA-N 2 1 286.463 3.925 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000271908418 1122182779 /nfs/dbraw/zinc/18/27/79/1122182779.db2.gz ZROYOZONGMYJFH-SFHVURJKSA-N 2 1 290.426 3.659 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000271908416 1122182952 /nfs/dbraw/zinc/18/29/52/1122182952.db2.gz ZROYOZONGMYJFH-GOSISDBHSA-N 2 1 290.426 3.659 20 0 CHADMP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC001182903019 1122194879 /nfs/dbraw/zinc/19/48/79/1122194879.db2.gz VRFKTEINQBLWCH-OALUTQOASA-N 2 1 288.479 3.719 20 0 CHADMP C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001182958577 1122196886 /nfs/dbraw/zinc/19/68/86/1122196886.db2.gz BUYAWWLCTUAVSO-BFYDXBDKSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001182958577 1122196887 /nfs/dbraw/zinc/19/68/87/1122196887.db2.gz BUYAWWLCTUAVSO-BFYDXBDKSA-N 2 1 264.457 3.562 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001182959837 1122197057 /nfs/dbraw/zinc/19/70/57/1122197057.db2.gz MRUQRFXBEYJSKA-BPQIPLTHSA-N 2 1 278.484 3.808 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001182959837 1122197060 /nfs/dbraw/zinc/19/70/60/1122197060.db2.gz MRUQRFXBEYJSKA-BPQIPLTHSA-N 2 1 278.484 3.808 20 0 CHADMP CC(C)(C)Oc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001205281295 1122239329 /nfs/dbraw/zinc/23/93/29/1122239329.db2.gz RUXXUYWJFJGHLC-GOSISDBHSA-N 2 1 290.451 3.567 20 0 CHADMP C[NH+](C)C1(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CCCCC1 ZINC000503212161 1122250895 /nfs/dbraw/zinc/25/08/95/1122250895.db2.gz NFWVUYRIWZHVRJ-QZTJIDSGSA-N 2 1 286.463 3.644 20 0 CHADMP CCc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)ccc1Cl ZINC001205288395 1122251907 /nfs/dbraw/zinc/25/19/07/1122251907.db2.gz KGOFTEXQHFEZKB-MRXNPFEDSA-N 2 1 280.843 3.606 20 0 CHADMP CC(C)(C)Oc1ccccc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205289405 1122252380 /nfs/dbraw/zinc/25/23/80/1122252380.db2.gz XVYRNZKMQRBHAM-SFHVURJKSA-N 2 1 290.451 3.567 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@@H+](C)CC1CCC(C)(C)CC1 ZINC001184196405 1122259064 /nfs/dbraw/zinc/25/90/64/1122259064.db2.gz GUHYPWWFUJTCGE-UHFFFAOYSA-N 2 1 268.489 3.722 20 0 CHADMP CC[C@@H]1CCC[C@H](C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)C1 ZINC001184290336 1122269604 /nfs/dbraw/zinc/26/96/04/1122269604.db2.gz KBMGAPOEVADUEK-ICBNADEASA-N 2 1 292.511 3.865 20 0 CHADMP C[N@H+]1C[C@]23C[NH+](CCC4CCCCC4)C[C@@]2(C1)CCCC3 ZINC001184396991 1122274902 /nfs/dbraw/zinc/27/49/02/1122274902.db2.gz APHMQSIZMDPCHP-KDURUIRLSA-N 2 1 290.495 3.765 20 0 CHADMP C[NH+]1C[C@]23C[N@H+](CCC4CCCCC4)C[C@@]2(C1)CCCC3 ZINC001184396991 1122274909 /nfs/dbraw/zinc/27/49/09/1122274909.db2.gz APHMQSIZMDPCHP-KDURUIRLSA-N 2 1 290.495 3.765 20 0 CHADMP C[NH+]1C[C@]23C[N@@H+](CCC4CCCCC4)C[C@@]2(C1)CCCC3 ZINC001184396991 1122274912 /nfs/dbraw/zinc/27/49/12/1122274912.db2.gz APHMQSIZMDPCHP-KDURUIRLSA-N 2 1 290.495 3.765 20 0 CHADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167953123 1122302279 /nfs/dbraw/zinc/30/22/79/1122302279.db2.gz RNVKUCWSTAJGPG-ACDBMABISA-N 2 1 298.474 3.629 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000514819948 1122455080 /nfs/dbraw/zinc/45/50/80/1122455080.db2.gz GCTGUFLETKGHLJ-HRCADAONSA-N 2 1 272.452 3.615 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000514819948 1122455081 /nfs/dbraw/zinc/45/50/81/1122455081.db2.gz GCTGUFLETKGHLJ-HRCADAONSA-N 2 1 272.452 3.615 20 0 CHADMP FC1(F)CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167958969 1122464400 /nfs/dbraw/zinc/46/44/00/1122464400.db2.gz LIHWWGUYMMLNEK-MQVJKMGUSA-N 2 1 298.421 3.559 20 0 CHADMP CC[N@H+](CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1)C(C)C ZINC000436229567 1122525260 /nfs/dbraw/zinc/52/52/60/1122525260.db2.gz FNSGWGHVHPPWOG-ZWKOTPCHSA-N 2 1 274.452 3.643 20 0 CHADMP CC[N@@H+](CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1)C(C)C ZINC000436229567 1122525262 /nfs/dbraw/zinc/52/52/62/1122525262.db2.gz FNSGWGHVHPPWOG-ZWKOTPCHSA-N 2 1 274.452 3.643 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000436283410 1122530815 /nfs/dbraw/zinc/53/08/15/1122530815.db2.gz UYRUEFJIKDGVAU-BHIYHBOVSA-N 2 1 286.463 3.644 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC(C)(C)CCc2ccccc21 ZINC000436285729 1122531335 /nfs/dbraw/zinc/53/13/35/1122531335.db2.gz PQPWHCYWCOZDQR-SFHVURJKSA-N 2 1 297.446 3.885 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C[C@H]1c1ccccc1 ZINC000414172870 1129061893 /nfs/dbraw/zinc/06/18/93/1129061893.db2.gz FQUDDINMNYXRLG-BCYZHJNNSA-N 2 1 284.447 3.600 20 0 CHADMP CC[C@H](C)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001190652317 1122549943 /nfs/dbraw/zinc/54/99/43/1122549943.db2.gz ZOHACQNJSADUPV-RCCFBDPRSA-N 2 1 280.500 3.865 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C[C@H]1c1ccccc1 ZINC000414172870 1129061895 /nfs/dbraw/zinc/06/18/95/1129061895.db2.gz FQUDDINMNYXRLG-BCYZHJNNSA-N 2 1 284.447 3.600 20 0 CHADMP C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)C1CCCCCC1 ZINC001191120363 1122574629 /nfs/dbraw/zinc/57/46/29/1122574629.db2.gz FKHMAYIOKGJJKZ-GOSISDBHSA-N 2 1 278.484 3.765 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1csc2ccccc12 ZINC000925011502 1122577722 /nfs/dbraw/zinc/57/77/22/1122577722.db2.gz QJLOHXYUSBFZAZ-ZIAGYGMSSA-N 2 1 288.460 3.894 20 0 CHADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc3ccsc3c2)CC1 ZINC001205580217 1122632522 /nfs/dbraw/zinc/63/25/22/1122632522.db2.gz ROKSCLAHZADBHR-INIZCTEOSA-N 2 1 292.423 3.554 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CCC(C)C)C2CC2)C1 ZINC000517042773 1122643233 /nfs/dbraw/zinc/64/32/33/1122643233.db2.gz ADVJPZKPNVNIMB-NVXWUHKLSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@H]1CC[N@@H+](CCCCCc2ccccc2)CC[C@@H]1C[NH3+] ZINC001205603644 1122654164 /nfs/dbraw/zinc/65/41/64/1122654164.db2.gz ROYGPEVLMUIFRQ-PKOBYXMFSA-N 2 1 288.479 3.706 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000438117908 1122677013 /nfs/dbraw/zinc/67/70/13/1122677013.db2.gz WRMGHAZDEPGNCI-CVEARBPZSA-N 2 1 292.442 3.593 20 0 CHADMP C[C@@H](C[N@@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccc(F)cc1 ZINC000438132665 1122681521 /nfs/dbraw/zinc/68/15/21/1122681521.db2.gz ZNWKRCFKEQRDOQ-MAUKXSAKSA-N 2 1 292.442 3.735 20 0 CHADMP C[C@@H](C[NH+](C)CC[C@H]1CCCC[N@@H+]1C)c1ccc(F)cc1 ZINC000438132665 1122681522 /nfs/dbraw/zinc/68/15/22/1122681522.db2.gz ZNWKRCFKEQRDOQ-MAUKXSAKSA-N 2 1 292.442 3.735 20 0 CHADMP C[C@@H](C[NH+](C)CC[C@H]1CCCC[N@H+]1C)c1ccc(F)cc1 ZINC000438132665 1122681526 /nfs/dbraw/zinc/68/15/26/1122681526.db2.gz ZNWKRCFKEQRDOQ-MAUKXSAKSA-N 2 1 292.442 3.735 20 0 CHADMP CC(C)c1ccccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205637444 1122699423 /nfs/dbraw/zinc/69/94/23/1122699423.db2.gz HDTYEZROCQFPEB-JKSUJKDBSA-N 2 1 274.452 3.617 20 0 CHADMP Cc1cc(C)c(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1C ZINC000506370750 1122725185 /nfs/dbraw/zinc/72/51/85/1122725185.db2.gz SGZSRUWIYCQNBA-UHFFFAOYSA-N 2 1 288.479 3.916 20 0 CHADMP CC(C)(C)C[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001195213928 1122855726 /nfs/dbraw/zinc/85/57/26/1122855726.db2.gz MHMHFQYXRCOQCP-INIZCTEOSA-N 2 1 266.473 3.621 20 0 CHADMP CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)CC1CC1 ZINC001167977418 1122891895 /nfs/dbraw/zinc/89/18/95/1122891895.db2.gz CAZIIFWRGYZZRP-AYHJJNSGSA-N 2 1 290.495 3.808 20 0 CHADMP C[C@H]1c2ccccc2CC[N@@H+]1CCCCCCC[NH3+] ZINC000842471815 1123017282 /nfs/dbraw/zinc/01/72/82/1123017282.db2.gz BGSNERFNAMBBLO-HNNXBMFYSA-N 2 1 260.425 3.515 20 0 CHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc4ccccc4o3)C2)CC1 ZINC000519726137 1123019206 /nfs/dbraw/zinc/01/92/06/1123019206.db2.gz RMQNPFDNZSAWDM-KRWDZBQOSA-N 2 1 298.430 3.597 20 0 CHADMP CCC(CC)[C@H](C[NH2+][C@H]1CC[C@@H](C)SC1)[NH+]1CCCC1 ZINC001199144874 1123021378 /nfs/dbraw/zinc/02/13/78/1123021378.db2.gz YDHRDJMQTNSMPZ-PVAVHDDUSA-N 2 1 298.540 3.761 20 0 CHADMP CC(C)CC[C@@H]([NH2+]CCC[NH2+]C(C)C)c1ccoc1 ZINC000519767383 1123022928 /nfs/dbraw/zinc/02/29/28/1123022928.db2.gz ZXXSODKURSPVMN-MRXNPFEDSA-N 2 1 266.429 3.735 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C[C@@H]2CCCC[C@@H]2C)C1 ZINC001199329542 1123028307 /nfs/dbraw/zinc/02/83/07/1123028307.db2.gz VVCKYQNKHHRVCJ-MHORFTMASA-N 2 1 280.500 3.770 20 0 CHADMP CC[C@H](F)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000440781687 1123039359 /nfs/dbraw/zinc/03/93/59/1123039359.db2.gz ISECJAOBPNDWTG-NJAFHUGGSA-N 2 1 292.442 3.719 20 0 CHADMP CC[C@H](F)C[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000440781687 1123039362 /nfs/dbraw/zinc/03/93/62/1123039362.db2.gz ISECJAOBPNDWTG-NJAFHUGGSA-N 2 1 292.442 3.719 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205901692 1123060482 /nfs/dbraw/zinc/06/04/82/1123060482.db2.gz FDVBPJFTJWYEEN-MSNYOWOLSA-N 2 1 252.446 3.572 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205902002 1123060554 /nfs/dbraw/zinc/06/05/54/1123060554.db2.gz GUTUPTJRPZWDIZ-GVDBMIGSSA-N 2 1 266.473 3.818 20 0 CHADMP Cc1cccc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000520204922 1123062388 /nfs/dbraw/zinc/06/23/88/1123062388.db2.gz MLYYAQFAZZNIJA-HDICACEKSA-N 2 1 288.479 3.843 20 0 CHADMP C1=CC[C@H](C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC1 ZINC001201418797 1123098070 /nfs/dbraw/zinc/09/80/70/1123098070.db2.gz SERFPZQKIGPJJT-ROUUACIJSA-N 2 1 276.468 3.683 20 0 CHADMP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](CC(C)(C)C)CC1 ZINC001201442417 1123105402 /nfs/dbraw/zinc/10/54/02/1123105402.db2.gz ZPMLRFUYVRKJIH-UHFFFAOYSA-N 2 1 292.442 3.768 20 0 CHADMP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](CC(C)(C)C)CC1 ZINC001201442417 1123105403 /nfs/dbraw/zinc/10/54/03/1123105403.db2.gz ZPMLRFUYVRKJIH-UHFFFAOYSA-N 2 1 292.442 3.768 20 0 CHADMP CCC[C@@H](C)C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001201550296 1123117890 /nfs/dbraw/zinc/11/78/90/1123117890.db2.gz IEXKBTYYXHEHEA-SJORKVTESA-N 2 1 266.473 3.763 20 0 CHADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000268823873 1129100390 /nfs/dbraw/zinc/10/03/90/1129100390.db2.gz QEDIIYNKSQFKQQ-OAHLLOKOSA-N 2 1 277.799 3.586 20 0 CHADMP CC(C)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001201616967 1123131493 /nfs/dbraw/zinc/13/14/93/1123131493.db2.gz DOUVRKORLQYXQN-CEXWTWQISA-N 2 1 286.463 3.533 20 0 CHADMP CCCC[NH+]1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001201706425 1123138643 /nfs/dbraw/zinc/13/86/43/1123138643.db2.gz MXWHKEZWPQEFGH-QGZVFWFLSA-N 2 1 290.451 3.756 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001201982463 1123161012 /nfs/dbraw/zinc/16/10/12/1123161012.db2.gz UJGBOZOWFRVMPW-RCCFBDPRSA-N 2 1 278.484 3.643 20 0 CHADMP C[N@@H+](CC1CCCC1)C1CC[NH+](C2CCCCC2)CC1 ZINC001202189673 1123184451 /nfs/dbraw/zinc/18/44/51/1123184451.db2.gz GKDNJBNCLVBMLZ-UHFFFAOYSA-N 2 1 278.484 3.906 20 0 CHADMP C[C@@H]1CC([NH2+]C2(C)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168008185 1123216014 /nfs/dbraw/zinc/21/60/14/1123216014.db2.gz WMANPTUVSMGGGB-HUUCEWRRSA-N 2 1 272.436 3.570 20 0 CHADMP Cc1cc2c(cc1C)[C@@H]([NH2+]CC1([NH3+])CCCC1)CCS2 ZINC000665248512 1123261527 /nfs/dbraw/zinc/26/15/27/1123261527.db2.gz YGJOEVOGVZTLAQ-HNNXBMFYSA-N 2 1 290.476 3.701 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CC2([NH3+])CCCC2)c2ccsc2S1 ZINC000665249500 1123263876 /nfs/dbraw/zinc/26/38/76/1123263876.db2.gz RRGPKWVLIXIVAF-JQWIXIFHSA-N 2 1 282.478 3.535 20 0 CHADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(-c2ccncc2)cc1 ZINC000665249419 1123264029 /nfs/dbraw/zinc/26/40/29/1123264029.db2.gz QALHWLKKJYORSN-OAHLLOKOSA-N 2 1 295.430 3.671 20 0 CHADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(C(F)F)nc1 ZINC000850440412 1123266794 /nfs/dbraw/zinc/26/67/94/1123266794.db2.gz XHTMYKXQTUDWTO-FPMFFAJLSA-N 2 1 297.393 3.543 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]([NH3+])c3ccccc31)[C@H](C)C2 ZINC000665272931 1123302576 /nfs/dbraw/zinc/30/25/76/1123302576.db2.gz NRUAFJKQWUNVLY-RHMWYWNKSA-N 2 1 292.426 3.963 20 0 CHADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000442919930 1123348929 /nfs/dbraw/zinc/34/89/29/1123348929.db2.gz KLDHZRQKBDYKPC-GFCCVEGCSA-N 2 1 292.810 3.647 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2c3ccccc3-c3ccccc32)CCN1C ZINC000388871746 1123382786 /nfs/dbraw/zinc/38/27/86/1123382786.db2.gz QCNXXHBMTHCELD-GJZGRUSLSA-N 2 1 292.426 3.829 20 0 CHADMP CC1=CCC[C@H](C)[C@H]1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000443414164 1123394423 /nfs/dbraw/zinc/39/44/23/1123394423.db2.gz ONMAIYJULMBEEB-WMZOPIPTSA-N 2 1 278.484 3.783 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000443413249 1123398377 /nfs/dbraw/zinc/39/83/77/1123398377.db2.gz FPSLWHXLJDUTJS-ARFHVFGLSA-N 2 1 273.424 3.582 20 0 CHADMP C[N@H+](CC[NH2+][C@H]1CCC12CCCC2)C1CCCCC1 ZINC000474073012 1123411023 /nfs/dbraw/zinc/41/10/23/1123411023.db2.gz MPEFGTAXDQZOJW-INIZCTEOSA-N 2 1 264.457 3.563 20 0 CHADMP C[N@@H+](CC[NH2+][C@H]1CCC12CCCC2)C1CCCCC1 ZINC000474073012 1123411026 /nfs/dbraw/zinc/41/10/26/1123411026.db2.gz MPEFGTAXDQZOJW-INIZCTEOSA-N 2 1 264.457 3.563 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)C[C@@H](C)C1 ZINC000252114855 1123412651 /nfs/dbraw/zinc/41/26/51/1123412651.db2.gz IISPYOIGOZHJRR-VVLHAWIVSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC2(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168020892 1123420517 /nfs/dbraw/zinc/42/05/17/1123420517.db2.gz OKBZQYWGUFUFBI-CYGHRXIMSA-N 2 1 286.463 3.816 20 0 CHADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853239327 1123428876 /nfs/dbraw/zinc/42/88/76/1123428876.db2.gz FMWXQURORSIZPV-XLIONFOSSA-N 2 1 298.474 3.694 20 0 CHADMP CCC1([NH+]2CCC2)CC[NH+](Cc2sccc2C)CC1 ZINC000895828452 1123517256 /nfs/dbraw/zinc/51/72/56/1123517256.db2.gz SUVSEDZLNLVGEV-UHFFFAOYSA-N 2 1 278.465 3.507 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@@H](C)C1CCCCC1 ZINC000474462727 1123534641 /nfs/dbraw/zinc/53/46/41/1123534641.db2.gz UIOLBYBNQDSSIV-OWCLPIDISA-N 2 1 278.484 3.665 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000163265855 1129128794 /nfs/dbraw/zinc/12/87/94/1129128794.db2.gz YOXUIRXUKDPVPO-LZQZEXGQSA-N 2 1 286.463 3.818 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000163265855 1129128796 /nfs/dbraw/zinc/12/87/96/1129128796.db2.gz YOXUIRXUKDPVPO-LZQZEXGQSA-N 2 1 286.463 3.818 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](C(C)C)C2)C1 ZINC000474602593 1123556660 /nfs/dbraw/zinc/55/66/60/1123556660.db2.gz NCNONADIBIFKGY-BRWVUGGUSA-N 2 1 266.473 3.523 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](C(C)C)C2)C1 ZINC000474628594 1123561736 /nfs/dbraw/zinc/56/17/36/1123561736.db2.gz LNTTWJVJZXVJFU-BRWVUGGUSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039968 1123563366 /nfs/dbraw/zinc/56/33/66/1123563366.db2.gz JCTSMBXUJPKFEO-SBCNTATESA-N 2 1 298.474 3.816 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]CC2=CCCCC2)C[C@H]1c1ccccc1 ZINC000453250867 1123563845 /nfs/dbraw/zinc/56/38/45/1123563845.db2.gz MXPDZPSULSTJKO-OALUTQOASA-N 2 1 284.447 3.912 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC2=CCCCC2)C[C@H]1c1ccccc1 ZINC000453250867 1123563849 /nfs/dbraw/zinc/56/38/49/1123563849.db2.gz MXPDZPSULSTJKO-OALUTQOASA-N 2 1 284.447 3.912 20 0 CHADMP CC(C)Cc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000429539390 1123575563 /nfs/dbraw/zinc/57/55/63/1123575563.db2.gz KLITZEURRMEVAN-IBGZPJMESA-N 2 1 288.479 3.801 20 0 CHADMP CCC[N@H+](CC)CC[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000474795015 1123588269 /nfs/dbraw/zinc/58/82/69/1123588269.db2.gz UXBGRTQJPFNZJB-JKSUJKDBSA-N 2 1 292.467 3.509 20 0 CHADMP CCC[N@@H+](CC)CC[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000474795015 1123588270 /nfs/dbraw/zinc/58/82/70/1123588270.db2.gz UXBGRTQJPFNZJB-JKSUJKDBSA-N 2 1 292.467 3.509 20 0 CHADMP CC[NH+](CC)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168041824 1123590490 /nfs/dbraw/zinc/59/04/90/1123590490.db2.gz VYQVBVPWGQNRMJ-HZPDHXFCSA-N 2 1 274.452 3.770 20 0 CHADMP C[C@H]1CC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168042281 1123594660 /nfs/dbraw/zinc/59/46/60/1123594660.db2.gz YSJPKNMLOFXEDC-BMFAXAFESA-N 2 1 286.463 3.770 20 0 CHADMP C[C@H]1CC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168042281 1123594664 /nfs/dbraw/zinc/59/46/64/1123594664.db2.gz YSJPKNMLOFXEDC-BMFAXAFESA-N 2 1 286.463 3.770 20 0 CHADMP C[C@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168042281 1123594668 /nfs/dbraw/zinc/59/46/68/1123594668.db2.gz YSJPKNMLOFXEDC-BMFAXAFESA-N 2 1 286.463 3.770 20 0 CHADMP C[C@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168042281 1123594672 /nfs/dbraw/zinc/59/46/72/1123594672.db2.gz YSJPKNMLOFXEDC-BMFAXAFESA-N 2 1 286.463 3.770 20 0 CHADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168043841 1123606452 /nfs/dbraw/zinc/60/64/52/1123606452.db2.gz DCYODULQQKWPII-IZZQQSIFSA-N 2 1 298.474 3.914 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC3(CC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168043841 1123606454 /nfs/dbraw/zinc/60/64/54/1123606454.db2.gz DCYODULQQKWPII-IZZQQSIFSA-N 2 1 298.474 3.914 20 0 CHADMP C[C@@H]1C[C@@H]([N@H+]2CCC3(CC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168043841 1123606456 /nfs/dbraw/zinc/60/64/56/1123606456.db2.gz DCYODULQQKWPII-IZZQQSIFSA-N 2 1 298.474 3.914 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C(C)(C)C ZINC000157889481 1129133937 /nfs/dbraw/zinc/13/39/37/1129133937.db2.gz WIMCODQLABTLLZ-GJZGRUSLSA-N 2 1 254.462 3.665 20 0 CHADMP CC(C)[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000157894714 1129135252 /nfs/dbraw/zinc/13/52/52/1129135252.db2.gz SAJYGGXFZUWCNN-DOTOQJQBSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@@H]([NH2+]C1CC(C)(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000395279770 1123655170 /nfs/dbraw/zinc/65/51/70/1123655170.db2.gz BPWGJWZXSIYWBL-NVXWUHKLSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CCCCCCc2ccccc2)CC[N@H+]1C ZINC000858460720 1123656031 /nfs/dbraw/zinc/65/60/31/1123656031.db2.gz CVMPCGMHRUMHBF-PKOBYXMFSA-N 2 1 288.479 3.862 20 0 CHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)C1CCCCCC1 ZINC000346139879 1123666631 /nfs/dbraw/zinc/66/66/31/1123666631.db2.gz LUABMXWWPXTTGL-UHFFFAOYSA-N 2 1 298.434 3.730 20 0 CHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@H](C)CCC[C@H]1C ZINC000346192238 1123671439 /nfs/dbraw/zinc/67/14/39/1123671439.db2.gz DSHWTSQGLJXZOB-HUUCEWRRSA-N 2 1 298.434 3.586 20 0 CHADMP CCC[C@H]1CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000346229511 1123673524 /nfs/dbraw/zinc/67/35/24/1123673524.db2.gz VGEBTZILNGYYMX-INIZCTEOSA-N 2 1 298.434 3.588 20 0 CHADMP CC[N@H+](CCn1cc[nH+]c1C)Cc1ccc2ccccc2c1 ZINC000346299462 1123679098 /nfs/dbraw/zinc/67/90/98/1123679098.db2.gz BBPRJEUXXFVPIZ-UHFFFAOYSA-N 2 1 293.414 3.867 20 0 CHADMP CC[N@@H+](CCn1cc[nH+]c1C)Cc1ccc2ccccc2c1 ZINC000346299462 1123679100 /nfs/dbraw/zinc/67/91/00/1123679100.db2.gz BBPRJEUXXFVPIZ-UHFFFAOYSA-N 2 1 293.414 3.867 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)CCC2CC2)c1 ZINC000346595783 1123696195 /nfs/dbraw/zinc/69/61/95/1123696195.db2.gz OAWGRFDOYWXMHZ-OAHLLOKOSA-N 2 1 274.452 3.807 20 0 CHADMP Cc1ccccc1-c1cccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000469861766 1123767083 /nfs/dbraw/zinc/76/70/83/1123767083.db2.gz XZXLGYOPVOTGBF-WMZOPIPTSA-N 2 1 294.442 3.831 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H]1C ZINC000309806615 1123773912 /nfs/dbraw/zinc/77/39/12/1123773912.db2.gz USMWZSDCIACFNJ-JFRXWTBNSA-N 2 1 286.463 3.533 20 0 CHADMP C[C@@H]1CCC[N@@H+]1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168056004 1123788601 /nfs/dbraw/zinc/78/86/01/1123788601.db2.gz ZTSGWZMMTLMTCA-IKGGRYGDSA-N 2 1 286.463 3.912 20 0 CHADMP C[C@@H]1CCC[N@H+]1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168056004 1123788606 /nfs/dbraw/zinc/78/86/06/1123788606.db2.gz ZTSGWZMMTLMTCA-IKGGRYGDSA-N 2 1 286.463 3.912 20 0 CHADMP Cc1oc2ccccc2c1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000925140169 1123823225 /nfs/dbraw/zinc/82/32/25/1123823225.db2.gz JAUWQMHBHVIGCI-KCQAQPDRSA-N 2 1 286.419 3.875 20 0 CHADMP Cc1oc2ccccc2c1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000925140169 1123823230 /nfs/dbraw/zinc/82/32/30/1123823230.db2.gz JAUWQMHBHVIGCI-KCQAQPDRSA-N 2 1 286.419 3.875 20 0 CHADMP C[C@@H](Nc1cc[nH+]c2ccsc21)C(C)(C)C[NH+](C)C ZINC000301631522 1123919590 /nfs/dbraw/zinc/91/95/90/1123919590.db2.gz JDASFPUDQQYTKJ-LLVKDONJSA-N 2 1 277.437 3.685 20 0 CHADMP CC(C)C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccs1 ZINC000152448857 1124002601 /nfs/dbraw/zinc/00/26/01/1124002601.db2.gz FIDYKWLZLNOWFG-GDBMZVCRSA-N 2 1 292.492 3.909 20 0 CHADMP CC(C)C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccs1 ZINC000152448570 1124004115 /nfs/dbraw/zinc/00/41/15/1124004115.db2.gz FIDYKWLZLNOWFG-HOCLYGCPSA-N 2 1 292.492 3.909 20 0 CHADMP C[NH+]1CCC([NH2+][C@H]2CCc3cccc4cccc2c43)CC1 ZINC000866216693 1124038978 /nfs/dbraw/zinc/03/89/78/1124038978.db2.gz AUPFSZKILWDWNP-SFHVURJKSA-N 2 1 280.415 3.511 20 0 CHADMP CCC[C@@H](C)[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000444596008 1124044344 /nfs/dbraw/zinc/04/43/44/1124044344.db2.gz KURVPCOJLMOCSO-IAGOWNOFSA-N 2 1 266.473 3.763 20 0 CHADMP CC[C@@H](C)[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000444602025 1124045418 /nfs/dbraw/zinc/04/54/18/1124045418.db2.gz YBRATHXTASRITP-SJORKVTESA-N 2 1 266.473 3.763 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC(CC)(CC)C(F)(F)F)[C@@H](C)C1 ZINC000866505671 1124074020 /nfs/dbraw/zinc/07/40/20/1124074020.db2.gz RJJNHPCMYFSCNZ-STQMWFEESA-N 2 1 294.405 3.675 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000445904086 1124106220 /nfs/dbraw/zinc/10/62/20/1124106220.db2.gz NVBRINWJBCKYGV-CYBMUJFWSA-N 2 1 291.361 3.538 20 0 CHADMP C[N@@H+](CCC(C)(C)C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000525268961 1124120868 /nfs/dbraw/zinc/12/08/68/1124120868.db2.gz SOUUFYWUFRKSRK-SFHVURJKSA-N 2 1 288.479 3.877 20 0 CHADMP C[NH+](CCC(C)(C)C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000525268961 1124120869 /nfs/dbraw/zinc/12/08/69/1124120869.db2.gz SOUUFYWUFRKSRK-SFHVURJKSA-N 2 1 288.479 3.877 20 0 CHADMP C[NH+](CCC(C)(C)C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000525268961 1124120870 /nfs/dbraw/zinc/12/08/70/1124120870.db2.gz SOUUFYWUFRKSRK-SFHVURJKSA-N 2 1 288.479 3.877 20 0 CHADMP CC1CC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000621384322 1129170069 /nfs/dbraw/zinc/17/00/69/1129170069.db2.gz BUYQRWOCKUMYEX-JGJLBUBWSA-N 2 1 286.463 3.675 20 0 CHADMP CC1CC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000621384322 1129170071 /nfs/dbraw/zinc/17/00/71/1129170071.db2.gz BUYQRWOCKUMYEX-JGJLBUBWSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC[C@H]2c2ccccc2)CC[NH2+]1 ZINC000414728183 1129178541 /nfs/dbraw/zinc/17/85/41/1129178541.db2.gz CGTMRCJHKHQJDS-RYRKJORJSA-N 2 1 272.436 3.602 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000525694641 1124458058 /nfs/dbraw/zinc/45/80/58/1124458058.db2.gz DCEVRBFMCBCRDE-PVAVHDDUSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2occc21 ZINC000447536700 1124484434 /nfs/dbraw/zinc/48/44/34/1124484434.db2.gz PJWHLTRACGKFDH-NVXWUHKLSA-N 2 1 290.451 3.901 20 0 CHADMP CC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000447573108 1124489193 /nfs/dbraw/zinc/48/91/93/1124489193.db2.gz FUFCPAYIINXSJY-NNZMDNLPSA-N 2 1 284.447 3.572 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000525985805 1124490305 /nfs/dbraw/zinc/49/03/05/1124490305.db2.gz SWIXZFMRKYYOMI-SOUVJXGZSA-N 2 1 294.870 3.763 20 0 CHADMP CC(C)C[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000525985814 1124490634 /nfs/dbraw/zinc/49/06/34/1124490634.db2.gz URIAICJCSZUUBY-HKUYNNGSSA-N 2 1 288.479 3.748 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c(C)o1 ZINC000447585614 1124491839 /nfs/dbraw/zinc/49/18/39/1124491839.db2.gz KWHDNIULRPRXMP-WBVHZDCISA-N 2 1 292.467 3.915 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c(C)o1 ZINC000447585614 1124491844 /nfs/dbraw/zinc/49/18/44/1124491844.db2.gz KWHDNIULRPRXMP-WBVHZDCISA-N 2 1 292.467 3.915 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000447600440 1124498785 /nfs/dbraw/zinc/49/87/85/1124498785.db2.gz LZQGZPQKEJLDQS-JUSBFGHESA-N 2 1 298.474 3.960 20 0 CHADMP C[C@H](C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000447821847 1124529085 /nfs/dbraw/zinc/52/90/85/1124529085.db2.gz NPYZTXNKKLHDKE-ZWKOTPCHSA-N 2 1 288.479 3.892 20 0 CHADMP C[C@@H]([NH2+]CCCC(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001119931338 1131267311 /nfs/dbraw/zinc/26/73/11/1131267311.db2.gz KXBHLRKSTPMPIX-OLZOCXBDSA-N 2 1 292.389 3.572 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccc3ccoc32)CC1 ZINC000449010889 1124633454 /nfs/dbraw/zinc/63/34/54/1124633454.db2.gz WGPWUIOGQIYVNG-UHFFFAOYSA-N 2 1 286.419 3.737 20 0 CHADMP Cc1ccccc1-c1ccccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000449061696 1124640753 /nfs/dbraw/zinc/64/07/53/1124640753.db2.gz JJLCDXVMVURREJ-UHFFFAOYSA-N 2 1 294.442 3.846 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449079068 1124646669 /nfs/dbraw/zinc/64/66/69/1124646669.db2.gz ZIELOTDQTVQOJZ-UHFFFAOYSA-N 2 1 296.499 3.577 20 0 CHADMP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000449083016 1124646963 /nfs/dbraw/zinc/64/69/63/1124646963.db2.gz RREOHVGDDBOFFD-JLSDUUJJSA-N 2 1 298.430 3.580 20 0 CHADMP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000449083016 1124646966 /nfs/dbraw/zinc/64/69/66/1124646966.db2.gz RREOHVGDDBOFFD-JLSDUUJJSA-N 2 1 298.430 3.580 20 0 CHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(C2=CCC[NH2+]CC2)nc1 ZINC001238939271 1131274953 /nfs/dbraw/zinc/27/49/53/1131274953.db2.gz BOTNAONURXPQAG-IBGZPJMESA-N 2 1 299.462 3.785 20 0 CHADMP CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](CCC)C1)C1CCCC1 ZINC000449095471 1124649983 /nfs/dbraw/zinc/64/99/83/1124649983.db2.gz YQICEXRMRKSOFY-WBVHZDCISA-N 2 1 266.473 3.667 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000449211245 1124669464 /nfs/dbraw/zinc/66/94/64/1124669464.db2.gz RTIJFWKPDXYYEK-DLBZAZTESA-N 2 1 278.484 3.667 20 0 CHADMP CC/C=C\C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449461606 1124757260 /nfs/dbraw/zinc/75/72/60/1124757260.db2.gz UABDYYYNXHMZJX-ALYQMLPJSA-N 2 1 272.436 3.595 20 0 CHADMP CC/C=C\C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449461606 1124757263 /nfs/dbraw/zinc/75/72/63/1124757263.db2.gz UABDYYYNXHMZJX-ALYQMLPJSA-N 2 1 272.436 3.595 20 0 CHADMP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c2ccccc21 ZINC000873273531 1124759417 /nfs/dbraw/zinc/75/94/17/1124759417.db2.gz HYMUESMBOUVFOX-BARDWOONSA-N 2 1 296.336 3.618 20 0 CHADMP Cc1cc([NH+]2CCCCC2)ccc1NC1=C[NH2+]CCC1 ZINC001159818740 1131287033 /nfs/dbraw/zinc/28/70/33/1131287033.db2.gz WWRRUNCZBPOPBR-UHFFFAOYSA-N 2 1 271.408 3.622 20 0 CHADMP C[C@H](CCC1CCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560076 1124802427 /nfs/dbraw/zinc/80/24/27/1124802427.db2.gz FTQFJHFYVBZTRG-HZTRTUMWSA-N 2 1 264.457 3.560 20 0 CHADMP C[C@H](CCCC(F)(F)F)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449780950 1124870488 /nfs/dbraw/zinc/87/04/88/1124870488.db2.gz HNWPUPROBIBXNQ-GFCCVEGCSA-N 2 1 280.378 3.572 20 0 CHADMP C[C@H](CCCC(F)(F)F)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449780950 1124870494 /nfs/dbraw/zinc/87/04/94/1124870494.db2.gz HNWPUPROBIBXNQ-GFCCVEGCSA-N 2 1 280.378 3.572 20 0 CHADMP CCC(C)(C)C1CCC([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC001246099854 1131317002 /nfs/dbraw/zinc/31/70/02/1131317002.db2.gz ABLHYTHFBDTPEO-PRLABOORSA-N 2 1 266.473 3.569 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCC1CCCCC1 ZINC000120407533 1124935124 /nfs/dbraw/zinc/93/51/24/1124935124.db2.gz FKWABECASVFRJE-UHFFFAOYSA-N 2 1 277.456 3.874 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)CCC1CCCCC1 ZINC000120407533 1124935129 /nfs/dbraw/zinc/93/51/29/1124935129.db2.gz FKWABECASVFRJE-UHFFFAOYSA-N 2 1 277.456 3.874 20 0 CHADMP C(=C\c1ccccc1)\CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000450437943 1125027045 /nfs/dbraw/zinc/02/70/45/1125027045.db2.gz LQNHEUVIEPBHOJ-OZVOWOKYSA-N 2 1 298.474 3.898 20 0 CHADMP CC[NH+]1CCC([N@H+](C)CC/C=C\c2ccccc2)CC1 ZINC000450470428 1125039027 /nfs/dbraw/zinc/03/90/27/1125039027.db2.gz UJVUCHWIBYIROB-XFFZJAGNSA-N 2 1 272.436 3.506 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)CC/C=C\c2ccccc2)CC1 ZINC000450470428 1125039033 /nfs/dbraw/zinc/03/90/33/1125039033.db2.gz UJVUCHWIBYIROB-XFFZJAGNSA-N 2 1 272.436 3.506 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000121439339 1125121638 /nfs/dbraw/zinc/12/16/38/1125121638.db2.gz SLPIJNXFAPVWEQ-LSDHHAIUSA-N 2 1 297.446 3.667 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CCCc2ccc(Cl)cc2)CC1(C)C ZINC000623404706 1125137310 /nfs/dbraw/zinc/13/73/10/1125137310.db2.gz HSLMGJBAHYLQPL-INIZCTEOSA-N 2 1 294.870 3.735 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)cccc2C)C[C@H]1C ZINC000530663050 1125170173 /nfs/dbraw/zinc/17/01/73/1125170173.db2.gz CLUQXIPNNIGNLN-SJORKVTESA-N 2 1 274.452 3.608 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)cccc2C)C[C@H]1C ZINC000530663050 1125170175 /nfs/dbraw/zinc/17/01/75/1125170175.db2.gz CLUQXIPNNIGNLN-SJORKVTESA-N 2 1 274.452 3.608 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)cccc2C)C[C@H]1C ZINC000530663050 1125170179 /nfs/dbraw/zinc/17/01/79/1125170179.db2.gz CLUQXIPNNIGNLN-SJORKVTESA-N 2 1 274.452 3.608 20 0 CHADMP CC(C)=CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000530711828 1125173604 /nfs/dbraw/zinc/17/36/04/1125173604.db2.gz ILOFFBIGFAKFFX-HKUYNNGSSA-N 2 1 286.463 3.938 20 0 CHADMP CC(C)=CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000530711828 1125173608 /nfs/dbraw/zinc/17/36/08/1125173608.db2.gz ILOFFBIGFAKFFX-HKUYNNGSSA-N 2 1 286.463 3.938 20 0 CHADMP CC(C)=CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000530711828 1125173612 /nfs/dbraw/zinc/17/36/12/1125173612.db2.gz ILOFFBIGFAKFFX-HKUYNNGSSA-N 2 1 286.463 3.938 20 0 CHADMP CC(C)=CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000530711828 1125173615 /nfs/dbraw/zinc/17/36/15/1125173615.db2.gz ILOFFBIGFAKFFX-HKUYNNGSSA-N 2 1 286.463 3.938 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)c2ccccc2)C[C@H]1C ZINC000530901783 1125185797 /nfs/dbraw/zinc/18/57/97/1125185797.db2.gz AVKKAGXXFUWLED-NUJGCVRESA-N 2 1 274.452 3.595 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)c2ccccc2)C[C@H]1C ZINC000530901783 1125185802 /nfs/dbraw/zinc/18/58/02/1125185802.db2.gz AVKKAGXXFUWLED-NUJGCVRESA-N 2 1 274.452 3.595 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)c2ccccc2)C[C@H]1C ZINC000530901783 1125185805 /nfs/dbraw/zinc/18/58/05/1125185805.db2.gz AVKKAGXXFUWLED-NUJGCVRESA-N 2 1 274.452 3.595 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C(C)(C)C)cc2)CC[N@@H+]1C ZINC000531378861 1125211756 /nfs/dbraw/zinc/21/17/56/1125211756.db2.gz DIQPMWVGGAMTAD-QAPCUYQASA-N 2 1 288.479 3.899 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C(C)(C)C)cc2)CC[N@H+]1C ZINC000531378861 1125211759 /nfs/dbraw/zinc/21/17/59/1125211759.db2.gz DIQPMWVGGAMTAD-QAPCUYQASA-N 2 1 288.479 3.899 20 0 CHADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C(C)(C)C)cc2)CC[NH+]1C ZINC000531378861 1125211762 /nfs/dbraw/zinc/21/17/62/1125211762.db2.gz DIQPMWVGGAMTAD-QAPCUYQASA-N 2 1 288.479 3.899 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C(C)(C)C)cc2)CC[NH+]1C ZINC000531378861 1125211766 /nfs/dbraw/zinc/21/17/66/1125211766.db2.gz DIQPMWVGGAMTAD-QAPCUYQASA-N 2 1 288.479 3.899 20 0 CHADMP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccco1 ZINC000123059890 1125222588 /nfs/dbraw/zinc/22/25/88/1125222588.db2.gz YKRMZVHGNZTJJS-OAHLLOKOSA-N 2 1 284.403 3.726 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCc2ccccc21 ZINC000532191749 1125237701 /nfs/dbraw/zinc/23/77/01/1125237701.db2.gz PWKKVLNKFRHOKB-VQIMIIECSA-N 2 1 286.463 3.918 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCc2ccccc21 ZINC000532191747 1125238330 /nfs/dbraw/zinc/23/83/30/1125238330.db2.gz PWKKVLNKFRHOKB-LPHOPBHVSA-N 2 1 286.463 3.918 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@]1(C)c1ccccc1 ZINC000880371305 1125268844 /nfs/dbraw/zinc/26/88/44/1125268844.db2.gz FHHFEKYMGQNMTC-GOSISDBHSA-N 2 1 283.419 3.593 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@]1(C)c1ccccc1 ZINC000880371305 1125268846 /nfs/dbraw/zinc/26/88/46/1125268846.db2.gz FHHFEKYMGQNMTC-GOSISDBHSA-N 2 1 283.419 3.593 20 0 CHADMP Cc1csc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c1 ZINC001137157122 1125283131 /nfs/dbraw/zinc/28/31/31/1125283131.db2.gz LVLSMWRUYDIDNQ-UHFFFAOYSA-N 2 1 280.481 3.609 20 0 CHADMP Cc1csc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c1 ZINC001137158419 1125285614 /nfs/dbraw/zinc/28/56/14/1125285614.db2.gz ROALBQAJUCVCKD-JKSUJKDBSA-N 2 1 292.492 3.895 20 0 CHADMP Cc1csc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001137158419 1125285620 /nfs/dbraw/zinc/28/56/20/1125285620.db2.gz ROALBQAJUCVCKD-JKSUJKDBSA-N 2 1 292.492 3.895 20 0 CHADMP Cc1csc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001137158419 1125285626 /nfs/dbraw/zinc/28/56/26/1125285626.db2.gz ROALBQAJUCVCKD-JKSUJKDBSA-N 2 1 292.492 3.895 20 0 CHADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](CCC4CC4)C3)C2)cc1 ZINC000475745917 1125286797 /nfs/dbraw/zinc/28/67/97/1125286797.db2.gz FSGDEEGBOZQYCH-HXUWFJFHSA-N 2 1 298.474 3.775 20 0 CHADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](CCC4CC4)C3)C2)cc1 ZINC000475745917 1125286800 /nfs/dbraw/zinc/28/68/00/1125286800.db2.gz FSGDEEGBOZQYCH-HXUWFJFHSA-N 2 1 298.474 3.775 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](CCC4CC4)C3)C2)cc1 ZINC000475745917 1125286803 /nfs/dbraw/zinc/28/68/03/1125286803.db2.gz FSGDEEGBOZQYCH-HXUWFJFHSA-N 2 1 298.474 3.775 20 0 CHADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000122294216 1125348756 /nfs/dbraw/zinc/34/87/56/1125348756.db2.gz MIIDNYJTCMSJSJ-KCXAZCMYSA-N 2 1 280.843 3.850 20 0 CHADMP CC(C)Cc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC001307517314 1125370262 /nfs/dbraw/zinc/37/02/62/1125370262.db2.gz XOKUIIYMQKVLMZ-VQIMIIECSA-N 2 1 288.479 3.800 20 0 CHADMP CC(C)Cc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC001307517314 1125370263 /nfs/dbraw/zinc/37/02/63/1125370263.db2.gz XOKUIIYMQKVLMZ-VQIMIIECSA-N 2 1 288.479 3.800 20 0 CHADMP CC(C)Cc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001307517314 1125370265 /nfs/dbraw/zinc/37/02/65/1125370265.db2.gz XOKUIIYMQKVLMZ-VQIMIIECSA-N 2 1 288.479 3.800 20 0 CHADMP CC(C)Cc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001307517314 1125370266 /nfs/dbraw/zinc/37/02/66/1125370266.db2.gz XOKUIIYMQKVLMZ-VQIMIIECSA-N 2 1 288.479 3.800 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1sccc1Cl ZINC000883172171 1125375086 /nfs/dbraw/zinc/37/50/86/1125375086.db2.gz YPOUXWVGHHHSOM-RISCZKNCSA-N 2 1 298.883 3.927 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1sccc1Cl ZINC000883172171 1125375087 /nfs/dbraw/zinc/37/50/87/1125375087.db2.gz YPOUXWVGHHHSOM-RISCZKNCSA-N 2 1 298.883 3.927 20 0 CHADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccnc(Cl)c2)CC1 ZINC000131207772 1125377148 /nfs/dbraw/zinc/37/71/48/1125377148.db2.gz PICYROJZRXDLIL-ZDUSSCGKSA-N 2 1 295.858 3.506 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCCC2(CC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000883216728 1125378929 /nfs/dbraw/zinc/37/89/29/1125378929.db2.gz VNYFDJXGAMBIHW-YESZJQIVSA-N 2 1 290.495 3.952 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000229620709 1125395254 /nfs/dbraw/zinc/39/52/54/1125395254.db2.gz FIQNWOYABSKCLG-HNNXBMFYSA-N 2 1 285.435 3.522 20 0 CHADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)c2ccccc21 ZINC000132089007 1125414175 /nfs/dbraw/zinc/41/41/75/1125414175.db2.gz FSDTZGDJJKDXSD-HOTGVXAUSA-N 2 1 272.779 3.574 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)Cc2csc3ccccc23)CC[N@@H+]1C ZINC000123778189 1125433098 /nfs/dbraw/zinc/43/30/98/1125433098.db2.gz CMQICMXTFKDIOH-UKRRQHHQSA-N 2 1 288.460 3.816 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)Cc2csc3ccccc23)CC[N@H+]1C ZINC000123778189 1125433099 /nfs/dbraw/zinc/43/30/99/1125433099.db2.gz CMQICMXTFKDIOH-UKRRQHHQSA-N 2 1 288.460 3.816 20 0 CHADMP C[C@@H]1C[C@H]([N@H+](C)Cc2csc3ccccc23)CC[NH+]1C ZINC000123778189 1125433100 /nfs/dbraw/zinc/43/31/00/1125433100.db2.gz CMQICMXTFKDIOH-UKRRQHHQSA-N 2 1 288.460 3.816 20 0 CHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2csc3ccccc23)CC[NH+]1C ZINC000123778189 1125433101 /nfs/dbraw/zinc/43/31/01/1125433101.db2.gz CMQICMXTFKDIOH-UKRRQHHQSA-N 2 1 288.460 3.816 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1ccco1)C1CCCC1 ZINC000124960629 1125444077 /nfs/dbraw/zinc/44/40/77/1125444077.db2.gz CDURGFBFIPBPSN-OAHLLOKOSA-N 2 1 276.424 3.509 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1ccco1)C1CCCC1 ZINC000124960629 1125444079 /nfs/dbraw/zinc/44/40/79/1125444079.db2.gz CDURGFBFIPBPSN-OAHLLOKOSA-N 2 1 276.424 3.509 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1ccco1)C1CCCC1 ZINC000124960629 1125444080 /nfs/dbraw/zinc/44/40/80/1125444080.db2.gz CDURGFBFIPBPSN-OAHLLOKOSA-N 2 1 276.424 3.509 20 0 CHADMP CC(C)[C@H](C[NH2+]C[C@H]1C[C@H]1c1ccccc1)[NH+]1CCCC1 ZINC000348258469 1125447930 /nfs/dbraw/zinc/44/79/30/1125447930.db2.gz KIYLBFDEKUORBX-QYZOEREBSA-N 2 1 286.463 3.500 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](CC(C)C)CC(C)(C)C ZINC000125445040 1125448847 /nfs/dbraw/zinc/44/88/47/1125448847.db2.gz NQTFXCIYSPJMJE-UHFFFAOYSA-N 2 1 279.472 3.976 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](CC(C)C)CC(C)(C)C ZINC000125445040 1125448849 /nfs/dbraw/zinc/44/88/49/1125448849.db2.gz NQTFXCIYSPJMJE-UHFFFAOYSA-N 2 1 279.472 3.976 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(C)(C)C ZINC000165331579 1129215179 /nfs/dbraw/zinc/21/51/79/1129215179.db2.gz VAVFKYCRYUGFTR-WMZOPIPTSA-N 2 1 288.479 3.575 20 0 CHADMP CC[C@@H]([NH2+]C1CCN(C(C)C)CC1)c1ccsc1 ZINC000294434365 1129216407 /nfs/dbraw/zinc/21/64/07/1129216407.db2.gz PWPHJLBOSDYDOS-OAHLLOKOSA-N 2 1 266.454 3.662 20 0 CHADMP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccsc1 ZINC000294434365 1129216410 /nfs/dbraw/zinc/21/64/10/1129216410.db2.gz PWPHJLBOSDYDOS-OAHLLOKOSA-N 2 1 266.454 3.662 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)C[C@@]2(C)C[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000638117253 1129243815 /nfs/dbraw/zinc/24/38/15/1129243815.db2.gz PVKMAZQGPZLNCH-JCHJZTRSSA-N 2 1 286.463 3.595 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)C[C@@]2(C)C[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000638117253 1129243817 /nfs/dbraw/zinc/24/38/17/1129243817.db2.gz PVKMAZQGPZLNCH-JCHJZTRSSA-N 2 1 286.463 3.595 20 0 CHADMP C[C@H]1C[C@H]([N@H+](C)C[C@@]2(C)C[C@@H]2c2ccccc2)CC[NH+]1C ZINC000638117253 1129243820 /nfs/dbraw/zinc/24/38/20/1129243820.db2.gz PVKMAZQGPZLNCH-JCHJZTRSSA-N 2 1 286.463 3.595 20 0 CHADMP C[C@H]1C[C@H]([N@@H+](C)C[C@@]2(C)C[C@@H]2c2ccccc2)CC[NH+]1C ZINC000638117253 1129243821 /nfs/dbraw/zinc/24/38/21/1129243821.db2.gz PVKMAZQGPZLNCH-JCHJZTRSSA-N 2 1 286.463 3.595 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCC12CCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000282661141 1129276209 /nfs/dbraw/zinc/27/62/09/1129276209.db2.gz INTRYAKMSQNAOE-QXAKKESOSA-N 2 1 298.474 3.819 20 0 CHADMP C[C@H](F)CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639210588 1129293052 /nfs/dbraw/zinc/29/30/52/1129293052.db2.gz MWIVDHUNPXJRHE-ZVZYQTTQSA-N 2 1 290.426 3.692 20 0 CHADMP C[C@H](F)CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639210588 1129293056 /nfs/dbraw/zinc/29/30/56/1129293056.db2.gz MWIVDHUNPXJRHE-ZVZYQTTQSA-N 2 1 290.426 3.692 20 0 CHADMP CCC1([NH+](C)C)CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000640018226 1129345137 /nfs/dbraw/zinc/34/51/37/1129345137.db2.gz XNALVTOKVVBDKJ-HNNXBMFYSA-N 2 1 290.451 3.562 20 0 CHADMP CCCCC[C@@H](CC)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001258433947 1129348689 /nfs/dbraw/zinc/34/86/89/1129348689.db2.gz CUVCRHKSNWSCNW-VQHPVUNQSA-N 2 1 266.473 3.950 20 0 CHADMP CCCCC[C@@H](CC)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001258433947 1129348693 /nfs/dbraw/zinc/34/86/93/1129348693.db2.gz CUVCRHKSNWSCNW-VQHPVUNQSA-N 2 1 266.473 3.950 20 0 CHADMP C[C@@H](CC1CC1)[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001258473630 1129408721 /nfs/dbraw/zinc/40/87/21/1129408721.db2.gz PFSQJSRWRIZTKT-BHYGNILZSA-N 2 1 264.457 3.514 20 0 CHADMP C[C@@H](CC1CC1)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001258473630 1129408723 /nfs/dbraw/zinc/40/87/23/1129408723.db2.gz PFSQJSRWRIZTKT-BHYGNILZSA-N 2 1 264.457 3.514 20 0 CHADMP C[C@@H](CC1CC1)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001258473630 1129408726 /nfs/dbraw/zinc/40/87/26/1129408726.db2.gz PFSQJSRWRIZTKT-BHYGNILZSA-N 2 1 264.457 3.514 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1csc(Cl)c1 ZINC000643548960 1129446110 /nfs/dbraw/zinc/44/61/10/1129446110.db2.gz XXTSIEYWVYCKJY-ZYHUDNBSSA-N 2 1 284.856 3.727 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2=CCCC2)cc1 ZINC000645847447 1129509150 /nfs/dbraw/zinc/50/91/50/1129509150.db2.gz UGHGFKYSCYESCL-CQSZACIVSA-N 2 1 281.403 3.942 20 0 CHADMP C[C@@H]1C[C@@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)CC(C)(C)C1 ZINC001258702491 1129527744 /nfs/dbraw/zinc/52/77/44/1129527744.db2.gz YHGNLRAFISAIFR-HZPDHXFCSA-N 2 1 278.484 3.619 20 0 CHADMP CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344731 1129571845 /nfs/dbraw/zinc/57/18/45/1129571845.db2.gz YBIGXDXSXBQWGR-NXHRZFHOSA-N 2 1 288.479 3.746 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C1CCC1 ZINC000647344417 1129571897 /nfs/dbraw/zinc/57/18/97/1129571897.db2.gz QDXNGXKETMQVOO-CEXWTWQISA-N 2 1 286.463 3.500 20 0 CHADMP CC[C@H]1CCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344264 1129572096 /nfs/dbraw/zinc/57/20/96/1129572096.db2.gz MUEMHJTUBPZWMU-WZGPROSRSA-N 2 1 286.463 3.500 20 0 CHADMP C1C[N@@H+]2CCCC[C@@H]2[C@@H]1[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000252425294 1129572576 /nfs/dbraw/zinc/57/25/76/1129572576.db2.gz MNAXFEWXJYNGNM-DUQPFJRNSA-N 2 1 276.468 3.562 20 0 CHADMP C1C[N@H+]2CCCC[C@@H]2[C@@H]1[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000252425294 1129572579 /nfs/dbraw/zinc/57/25/79/1129572579.db2.gz MNAXFEWXJYNGNM-DUQPFJRNSA-N 2 1 276.468 3.562 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000647882037 1129587226 /nfs/dbraw/zinc/58/72/26/1129587226.db2.gz DIKQETHSEWEPJB-HZPDHXFCSA-N 2 1 294.442 3.975 20 0 CHADMP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000037197190 1129596859 /nfs/dbraw/zinc/59/68/59/1129596859.db2.gz QTDZVXARTDGJLP-CQSZACIVSA-N 2 1 296.455 3.540 20 0 CHADMP CCCCN(C)c1ccc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000252830482 1129599147 /nfs/dbraw/zinc/59/91/47/1129599147.db2.gz ABQRRBRWZNPOPL-RDJZCZTQSA-N 2 1 289.467 3.818 20 0 CHADMP CCCC[N@H+](C)c1ccc(N[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000252830482 1129599150 /nfs/dbraw/zinc/59/91/50/1129599150.db2.gz ABQRRBRWZNPOPL-RDJZCZTQSA-N 2 1 289.467 3.818 20 0 CHADMP CCCC[N@@H+](C)c1ccc(N[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000252830482 1129599153 /nfs/dbraw/zinc/59/91/53/1129599153.db2.gz ABQRRBRWZNPOPL-RDJZCZTQSA-N 2 1 289.467 3.818 20 0 CHADMP CCCC[NH+](C)c1ccc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000252830482 1129599155 /nfs/dbraw/zinc/59/91/55/1129599155.db2.gz ABQRRBRWZNPOPL-RDJZCZTQSA-N 2 1 289.467 3.818 20 0 CHADMP CCCC[NH+](C)c1ccc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000252830482 1129599158 /nfs/dbraw/zinc/59/91/58/1129599158.db2.gz ABQRRBRWZNPOPL-RDJZCZTQSA-N 2 1 289.467 3.818 20 0 CHADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000648560359 1129614291 /nfs/dbraw/zinc/61/42/91/1129614291.db2.gz BGDGXHCZIXNOPS-ZACQAIPSSA-N 2 1 289.467 3.640 20 0 CHADMP CC(C)[NH+](CCC[NH2+]Cc1cnc2ccccc2c1)C(C)C ZINC000746053904 1129624220 /nfs/dbraw/zinc/62/42/20/1129624220.db2.gz UGQQUHMEBVEOQU-UHFFFAOYSA-N 2 1 299.462 3.833 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CC[C@@H](C)c2ccccc2)C1 ZINC000194422984 1129647143 /nfs/dbraw/zinc/64/71/43/1129647143.db2.gz VJBXALKRSQCTAC-MSOLQXFVSA-N 2 1 288.479 3.890 20 0 CHADMP CC(C)C[C@@H](Cc1ccccc1)[N@@H+](CCC[NH3+])C(C)C ZINC001169049951 1129691797 /nfs/dbraw/zinc/69/17/97/1129691797.db2.gz MFGIHVGOBWEVHK-SFHVURJKSA-N 2 1 276.468 3.703 20 0 CHADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H](Cc1ccccc1)CC(C)C ZINC001169049232 1129692066 /nfs/dbraw/zinc/69/20/66/1129692066.db2.gz FKMUSPGFKDPVHF-QGZVFWFLSA-N 2 1 285.435 3.523 20 0 CHADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc2c(c1)CCCC2 ZINC001169096760 1129696366 /nfs/dbraw/zinc/69/63/66/1129696366.db2.gz YDUBVAJDMWOHFF-PPRPKMEESA-N 2 1 298.474 3.841 20 0 CHADMP CC(C)[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1F ZINC001169101121 1129697355 /nfs/dbraw/zinc/69/73/55/1129697355.db2.gz OQWYQXVDAAGYQS-AFIMGQEJSA-N 2 1 290.426 3.738 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC001169100529 1129697650 /nfs/dbraw/zinc/69/76/50/1129697650.db2.gz KPDGWSJRMQBDSE-FJIDUMEYSA-N 2 1 290.426 3.882 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@H]3CCCC[C@H]31)C2 ZINC001169101780 1129697854 /nfs/dbraw/zinc/69/78/54/1129697854.db2.gz UZVHYHQZKHQFTI-OOOWVJFSSA-N 2 1 276.468 3.560 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C)c1C ZINC001169119810 1129700192 /nfs/dbraw/zinc/70/01/92/1129700192.db2.gz WMBNYAGDNSPMBU-VXIBKDFQSA-N 2 1 286.463 3.969 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(C)(C)c1ccc(Cl)cc1)C2 ZINC001169091876 1129700333 /nfs/dbraw/zinc/70/03/33/1129700333.db2.gz WSOXWPAHXRJELM-MUJYYYPQSA-N 2 1 292.854 3.790 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@@H](C(C)(C)C)CC1)C2 ZINC001169123834 1129701459 /nfs/dbraw/zinc/70/14/59/1129701459.db2.gz NCJRMJGGGYDEAB-KFESYUHLSA-N 2 1 278.484 3.806 20 0 CHADMP Cc1ccccc1[C@@H]1CCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169129872 1129701612 /nfs/dbraw/zinc/70/16/12/1129701612.db2.gz LEVBEMPRASBTCJ-ZMMAXQRCSA-N 2 1 284.447 3.757 20 0 CHADMP Cc1ccccc1[C@@H]1CCC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169129872 1129701616 /nfs/dbraw/zinc/70/16/16/1129701616.db2.gz LEVBEMPRASBTCJ-ZMMAXQRCSA-N 2 1 284.447 3.757 20 0 CHADMP Cc1ccccc1[C@@H]1CCC[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169129872 1129701617 /nfs/dbraw/zinc/70/16/17/1129701617.db2.gz LEVBEMPRASBTCJ-ZMMAXQRCSA-N 2 1 284.447 3.757 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H]1c1ccc(F)cc1)C2 ZINC001169127004 1129701974 /nfs/dbraw/zinc/70/19/74/1129701974.db2.gz ZHSIOQAQXRBFQM-XMTFNYHQSA-N 2 1 288.410 3.588 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H]1c1ccc(F)cc1)C2 ZINC001169127004 1129701977 /nfs/dbraw/zinc/70/19/77/1129701977.db2.gz ZHSIOQAQXRBFQM-XMTFNYHQSA-N 2 1 288.410 3.588 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H]1c1ccc(F)cc1)C2 ZINC001169127004 1129701980 /nfs/dbraw/zinc/70/19/80/1129701980.db2.gz ZHSIOQAQXRBFQM-XMTFNYHQSA-N 2 1 288.410 3.588 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC001169108605 1129703519 /nfs/dbraw/zinc/70/35/19/1129703519.db2.gz TUZDKYQBBYEBKW-LUKYLMHMSA-N 2 1 272.436 3.579 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H]1c1cccc(F)c1)C2 ZINC001169142441 1129704137 /nfs/dbraw/zinc/70/41/37/1129704137.db2.gz USYUIFQTQFKZET-MLHJIOFPSA-N 2 1 288.410 3.588 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]1c1cccc(F)c1)C2 ZINC001169142441 1129704140 /nfs/dbraw/zinc/70/41/40/1129704140.db2.gz USYUIFQTQFKZET-MLHJIOFPSA-N 2 1 288.410 3.588 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H]1c1cccc(F)c1)C2 ZINC001169142441 1129704142 /nfs/dbraw/zinc/70/41/42/1129704142.db2.gz USYUIFQTQFKZET-MLHJIOFPSA-N 2 1 288.410 3.588 20 0 CHADMP Cc1ccccc1CC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169115626 1129704815 /nfs/dbraw/zinc/70/48/15/1129704815.db2.gz LRKPQXNWGLWFTC-REPLKXPHSA-N 2 1 298.474 3.533 20 0 CHADMP CC1(C)C[C@H](Nc2ccc3[nH]c[nH+]c3c2)C[C@](C)(C[NH3+])C1 ZINC001169152781 1129705197 /nfs/dbraw/zinc/70/51/97/1129705197.db2.gz QLDAUNXPDCTHNF-GUYCJALGSA-N 2 1 286.423 3.519 20 0 CHADMP CCc1cccc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)[nH+]1 ZINC001169151702 1129705359 /nfs/dbraw/zinc/70/53/59/1129705359.db2.gz LXZGFWNWCDIKBK-YOEHRIQHSA-N 2 1 275.440 3.600 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2c2ccccc2)CC1 ZINC001169233881 1129711604 /nfs/dbraw/zinc/71/16/04/1129711604.db2.gz XMWKEADJJURNQR-KVPLUYHFSA-N 2 1 298.474 3.643 20 0 CHADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccc(C)cc2)CC1 ZINC001169255622 1129713320 /nfs/dbraw/zinc/71/33/20/1129713320.db2.gz UMSKJPBZZIESMG-GOSISDBHSA-N 2 1 272.436 3.616 20 0 CHADMP CC[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccc(C)cc2)CC1 ZINC001169255622 1129713323 /nfs/dbraw/zinc/71/33/23/1129713323.db2.gz UMSKJPBZZIESMG-GOSISDBHSA-N 2 1 272.436 3.616 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cccn2c[nH+]cc12 ZINC001169689632 1129746505 /nfs/dbraw/zinc/74/65/05/1129746505.db2.gz GRKCKBRSYNGGPV-OAHLLOKOSA-N 2 1 292.386 3.574 20 0 CHADMP c1cc2cccc(C[NH2+]C3CC[NH+](C4CC4)CC3)c2s1 ZINC000651863619 1129750394 /nfs/dbraw/zinc/75/03/94/1129750394.db2.gz QNPXCVXESFGRMS-UHFFFAOYSA-N 2 1 286.444 3.618 20 0 CHADMP CC(C)C[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)c1ccncc1 ZINC000652222289 1129760613 /nfs/dbraw/zinc/76/06/13/1129760613.db2.gz JQNWRUJVUFQGCK-SFHVURJKSA-N 2 1 291.483 3.736 20 0 CHADMP CC(C)C[C@H]([NH2+]CCC[N@H+](C)CC(C)C)c1ccccn1 ZINC000652222617 1129760727 /nfs/dbraw/zinc/76/07/27/1129760727.db2.gz TUOWQKUKAMTQQO-SFHVURJKSA-N 2 1 291.483 3.736 20 0 CHADMP CC(C)C[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)c1ccccn1 ZINC000652222617 1129760730 /nfs/dbraw/zinc/76/07/30/1129760730.db2.gz TUOWQKUKAMTQQO-SFHVURJKSA-N 2 1 291.483 3.736 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000381983703 1129853853 /nfs/dbraw/zinc/85/38/53/1129853853.db2.gz NNJBOAXRXVCXEJ-NEWSRXKRSA-N 2 1 286.463 3.677 20 0 CHADMP C[NH+](C)C1CC[NH+](Cc2ccccc2-c2ccccc2)CC1 ZINC000768530869 1129859947 /nfs/dbraw/zinc/85/99/47/1129859947.db2.gz XQHDOGHGHXGNPK-UHFFFAOYSA-N 2 1 294.442 3.880 20 0 CHADMP CC(C)CCC[C@@H](C)[N@H+](CC[NH3+])Cc1ccccc1 ZINC001170057791 1130094662 /nfs/dbraw/zinc/09/46/62/1130094662.db2.gz NIODANJWOSMHRI-MRXNPFEDSA-N 2 1 262.441 3.662 20 0 CHADMP CC(C)CCC[C@@H](C)[N@H+](CCN)Cc1ccccc1 ZINC001170057791 1130094649 /nfs/dbraw/zinc/09/46/49/1130094649.db2.gz NIODANJWOSMHRI-MRXNPFEDSA-N 2 1 262.441 3.662 20 0 CHADMP CC(C)CCC[C@@H](C)[N@@H+](CCN)Cc1ccccc1 ZINC001170057791 1130094656 /nfs/dbraw/zinc/09/46/56/1130094656.db2.gz NIODANJWOSMHRI-MRXNPFEDSA-N 2 1 262.441 3.662 20 0 CHADMP CC(C)CCC[C@@H](C)[N@@H+](CC[NH3+])Cc1ccccc1 ZINC001170057791 1130094669 /nfs/dbraw/zinc/09/46/69/1130094669.db2.gz NIODANJWOSMHRI-MRXNPFEDSA-N 2 1 262.441 3.662 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)s1 ZINC000903076406 1130108503 /nfs/dbraw/zinc/10/85/03/1130108503.db2.gz PIWJGWVGKFAOIW-WYQXTGKHSA-N 2 1 290.476 3.865 20 0 CHADMP C[C@@H]1CCCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903079343 1130109409 /nfs/dbraw/zinc/10/94/09/1130109409.db2.gz MJHLRZIHPFOGOM-PETKQJPQSA-N 2 1 276.468 3.560 20 0 CHADMP CC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903082337 1130109760 /nfs/dbraw/zinc/10/97/60/1130109760.db2.gz YWOYBORXASAEEM-SHFXZJCHSA-N 2 1 298.474 3.928 20 0 CHADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903083787 1130109931 /nfs/dbraw/zinc/10/99/31/1130109931.db2.gz NPYLVVHUQASGKX-IVZBYUQCSA-N 2 1 296.458 3.730 20 0 CHADMP CC[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903099590 1130111668 /nfs/dbraw/zinc/11/16/68/1130111668.db2.gz JULFUOUYBQMJKS-XILPPMENSA-N 2 1 276.468 3.703 20 0 CHADMP CCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCCC1 ZINC000903112640 1130115819 /nfs/dbraw/zinc/11/58/19/1130115819.db2.gz PHNBNEGPISAVHX-ZXFUBFMLSA-N 2 1 276.468 3.704 20 0 CHADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1C[C@@H]1C1CCCCC1)C2 ZINC000903122445 1130116312 /nfs/dbraw/zinc/11/63/12/1130116312.db2.gz YZHMNQKCYBFKML-ROUSISIUSA-N 2 1 288.479 3.703 20 0 CHADMP CC[C@@H]1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903179045 1130125008 /nfs/dbraw/zinc/12/50/08/1130125008.db2.gz LRSWANPHSQTBIR-PETKQJPQSA-N 2 1 276.468 3.560 20 0 CHADMP CCC(C)(C)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903200367 1130129210 /nfs/dbraw/zinc/12/92/10/1130129210.db2.gz RIRYPKXWBADWEU-WPXLMEDKSA-N 2 1 264.457 3.559 20 0 CHADMP CC(C)CCC[C@H](C)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001170071421 1130143583 /nfs/dbraw/zinc/14/35/83/1130143583.db2.gz NMNBCWRMNOPVLC-INIZCTEOSA-N 2 1 289.467 3.546 20 0 CHADMP CCCCC[C@H](C)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903385226 1130169660 /nfs/dbraw/zinc/16/96/60/1130169660.db2.gz WIGJAGBUEBPSCQ-RDJZCZTQSA-N 2 1 277.456 3.633 20 0 CHADMP Cl/C=C\C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000903443172 1130177734 /nfs/dbraw/zinc/17/77/34/1130177734.db2.gz CNUNAFUJOJYTGA-DEJVHIGNSA-N 2 1 290.838 3.524 20 0 CHADMP [NH3+]CC1([C@H]2CCCC[N@H+]2CCCc2ccsc2)CCC1 ZINC000903811281 1130200570 /nfs/dbraw/zinc/20/05/70/1130200570.db2.gz KSKSUKXTOJPURJ-MRXNPFEDSA-N 2 1 292.492 3.664 20 0 CHADMP C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCc2ccccc21 ZINC000903876226 1130206874 /nfs/dbraw/zinc/20/68/74/1130206874.db2.gz FYGIPABQGAYQLQ-SOXMVSPVSA-N 2 1 284.447 3.526 20 0 CHADMP c1ccc([C@@H]2C[C@@H]([NH2+]C3CCC=CCC3)CC[NH2+]2)cc1 ZINC000903962894 1130212607 /nfs/dbraw/zinc/21/26/07/1130212607.db2.gz LUPIIDFPFKMBDE-ROUUACIJSA-N 2 1 270.420 3.568 20 0 CHADMP Cc1c(Cl)cccc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206572137 1130236741 /nfs/dbraw/zinc/23/67/41/1130236741.db2.gz BGSFQCBPSURSKK-INIZCTEOSA-N 2 1 280.843 3.599 20 0 CHADMP CCC(CC)[N@@H+]([C@H]1CC[C@H](C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170116751 1130274099 /nfs/dbraw/zinc/27/40/99/1130274099.db2.gz GCSJHEWGAWBKLU-OTRWWLKZSA-N 2 1 266.473 3.936 20 0 CHADMP C[C@H]([NH3+])c1ccccc1C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001240387784 1130286199 /nfs/dbraw/zinc/28/61/99/1130286199.db2.gz XEXLMPFBHIXGFP-INIZCTEOSA-N 2 1 292.426 3.996 20 0 CHADMP CC(C)CC1(C)CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000677161589 1130295736 /nfs/dbraw/zinc/29/57/36/1130295736.db2.gz OOTBIZKPQOHMKB-INIZCTEOSA-N 2 1 266.473 3.619 20 0 CHADMP Cc1ccccc1[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000677240278 1130298348 /nfs/dbraw/zinc/29/83/48/1130298348.db2.gz FCTATHUQNBONSY-YQVWRLOYSA-N 2 1 284.447 3.663 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c(C)n1 ZINC000678411431 1130411691 /nfs/dbraw/zinc/41/16/91/1130411691.db2.gz CYERXMHBBNECCY-HOTGVXAUSA-N 2 1 289.467 3.614 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c(C)n1 ZINC000678411431 1130411694 /nfs/dbraw/zinc/41/16/94/1130411694.db2.gz CYERXMHBBNECCY-HOTGVXAUSA-N 2 1 289.467 3.614 20 0 CHADMP C[C@H]1CC[C@H]([N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)C1 ZINC001170160520 1130415076 /nfs/dbraw/zinc/41/50/76/1130415076.db2.gz IGRTWJDYNLDLDX-YJBOKZPZSA-N 2 1 278.484 3.904 20 0 CHADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+](CC)CC1 ZINC000678772859 1130453368 /nfs/dbraw/zinc/45/33/68/1130453368.db2.gz GONCVSFDQIRLMA-INIZCTEOSA-N 2 1 294.870 3.735 20 0 CHADMP CC1([NH+]2CCCC2)CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC001204047021 1130687910 /nfs/dbraw/zinc/68/79/10/1130687910.db2.gz YJFLTHIJWJCANS-UHFFFAOYSA-N 2 1 297.446 3.618 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235032296 1130702280 /nfs/dbraw/zinc/70/22/80/1130702280.db2.gz JHNVNDIZQXEHNG-LJQANCHMSA-N 2 1 286.463 3.560 20 0 CHADMP C[C@H](C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)c1cccc2ccccc21 ZINC001235018927 1130702415 /nfs/dbraw/zinc/70/24/15/1130702415.db2.gz YGKVITPIYKCXHC-OXFYSEKESA-N 2 1 294.442 3.627 20 0 CHADMP C[C@H](C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)c1cccc2ccccc21 ZINC001235018927 1130702419 /nfs/dbraw/zinc/70/24/19/1130702419.db2.gz YGKVITPIYKCXHC-OXFYSEKESA-N 2 1 294.442 3.627 20 0 CHADMP C[C@@H](C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)c1cccc2ccccc21 ZINC001235033270 1130702790 /nfs/dbraw/zinc/70/27/90/1130702790.db2.gz XBJLMLOFNMRNFW-JXFKEZNVSA-N 2 1 294.442 3.629 20 0 CHADMP CC(C)=CCCC1=CC[C@H](C[N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)CC1 ZINC001235026332 1130703288 /nfs/dbraw/zinc/70/32/88/1130703288.db2.gz NMKSZNCHBIFIRH-GBESFXJTSA-N 2 1 288.479 3.753 20 0 CHADMP C(CC1CCCC1)C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235040696 1130704501 /nfs/dbraw/zinc/70/45/01/1130704501.db2.gz MZPZTJLHMWDTOL-KRWDZBQOSA-N 2 1 264.457 3.565 20 0 CHADMP CSc1ccccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235040474 1130704948 /nfs/dbraw/zinc/70/49/48/1130704948.db2.gz SQAZYKLOWUTFNR-KRWDZBQOSA-N 2 1 290.476 3.517 20 0 CHADMP CCCC[C@@H](CC)C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235037166 1130705251 /nfs/dbraw/zinc/70/52/51/1130705251.db2.gz CRFLONOKLKSZBJ-SJORKVTESA-N 2 1 266.473 3.811 20 0 CHADMP CCC(C)(C)c1ccc(C[N@@H+]2CCC23CC[NH2+]CC3)cc1 ZINC001235101986 1130710880 /nfs/dbraw/zinc/71/08/80/1130710880.db2.gz JWGFUURQXHTOKP-UHFFFAOYSA-N 2 1 286.463 3.702 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CCC23CC[NH2+]CC3)cc1 ZINC001235101986 1130710883 /nfs/dbraw/zinc/71/08/83/1130710883.db2.gz JWGFUURQXHTOKP-UHFFFAOYSA-N 2 1 286.463 3.702 20 0 CHADMP c1csc(-c2ccc(C[N@H+]3CCC34CC[NH2+]CC4)cc2)c1 ZINC001235103852 1130712237 /nfs/dbraw/zinc/71/22/37/1130712237.db2.gz XVOPQYFLBOEBRN-UHFFFAOYSA-N 2 1 298.455 3.743 20 0 CHADMP c1c2ccccc2[nH]c1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235151830 1130714218 /nfs/dbraw/zinc/71/42/18/1130714218.db2.gz BTBLTZYXDAHXHW-LJQANCHMSA-N 2 1 297.446 3.522 20 0 CHADMP c1cc2cc(C[N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)ccc2o1 ZINC001235153430 1130715983 /nfs/dbraw/zinc/71/59/83/1130715983.db2.gz KBFOWNXQXYBGHO-SFHVURJKSA-N 2 1 298.430 3.787 20 0 CHADMP c1ccc(C2CC2)c(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)c1 ZINC001235167300 1130716048 /nfs/dbraw/zinc/71/60/48/1130716048.db2.gz HQZQUCBOGJLBRW-IBGZPJMESA-N 2 1 284.447 3.672 20 0 CHADMP c1ccc(C2CC2)c(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)c1 ZINC001235167300 1130716055 /nfs/dbraw/zinc/71/60/55/1130716055.db2.gz HQZQUCBOGJLBRW-IBGZPJMESA-N 2 1 284.447 3.672 20 0 CHADMP c1cc2c(c(C[N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)c1)CCC2 ZINC001235158770 1130716436 /nfs/dbraw/zinc/71/64/36/1130716436.db2.gz VQNWBIHHIQYKLL-HXUWFJFHSA-N 2 1 298.474 3.529 20 0 CHADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CC1 ZINC001235152962 1130716665 /nfs/dbraw/zinc/71/66/65/1130716665.db2.gz QEIPKDXCINEEIL-UHOSZYNNSA-N 2 1 290.495 3.833 20 0 CHADMP Clc1cccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235159182 1130716882 /nfs/dbraw/zinc/71/68/82/1130716882.db2.gz VXSLYINHBKHSAG-QGZVFWFLSA-N 2 1 292.854 3.694 20 0 CHADMP c1cc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)c2c(c1)CCCC2 ZINC001235175637 1130719607 /nfs/dbraw/zinc/71/96/07/1130719607.db2.gz ABHPNHLOHNOVMR-HXUWFJFHSA-N 2 1 298.474 3.674 20 0 CHADMP c1cc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)c2c(c1)CCCC2 ZINC001235175637 1130719611 /nfs/dbraw/zinc/71/96/11/1130719611.db2.gz ABHPNHLOHNOVMR-HXUWFJFHSA-N 2 1 298.474 3.674 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CCCCC23CC[NH2+]CC3)cc1C ZINC001235189260 1130721486 /nfs/dbraw/zinc/72/14/86/1130721486.db2.gz FSLNRDVNEHSAID-UHFFFAOYSA-N 2 1 286.463 3.720 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@@H]4C[C@H]3C[C@@H]4[NH3+])cc2)cc1 ZINC001235252953 1130727804 /nfs/dbraw/zinc/72/78/04/1130727804.db2.gz ARAYZZJDTWAXAS-UFYCRDLUSA-N 2 1 292.426 3.584 20 0 CHADMP c1cc(-c2cccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)c2)cs1 ZINC001235266911 1130731026 /nfs/dbraw/zinc/73/10/26/1130731026.db2.gz HQVYGZIODSNNLJ-WMZOPIPTSA-N 2 1 298.455 3.599 20 0 CHADMP c1cc(C2CCCCC2)ccc1C[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235342185 1130734385 /nfs/dbraw/zinc/73/43/85/1130734385.db2.gz URIUVFKDXUNHJF-LJQANCHMSA-N 2 1 298.474 3.776 20 0 CHADMP C[C@@H](c1ccccc1)[N@@H+](CCCC[NH3+])Cc1ccccc1 ZINC001235348006 1130735982 /nfs/dbraw/zinc/73/59/82/1130735982.db2.gz CJBRVOPOCIHHOG-KRWDZBQOSA-N 2 1 282.431 3.989 20 0 CHADMP c1cc2cc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)ccc2o1 ZINC001235422789 1130741537 /nfs/dbraw/zinc/74/15/37/1130741537.db2.gz FMFCSNWZVVIWCJ-QZTJIDSGSA-N 2 1 298.430 3.644 20 0 CHADMP C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)C1CCCCC1 ZINC001235423563 1130741891 /nfs/dbraw/zinc/74/18/91/1130741891.db2.gz HAOCOYUXDFIGDC-QZTJIDSGSA-N 2 1 278.484 3.668 20 0 CHADMP Clc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235426123 1130742065 /nfs/dbraw/zinc/74/20/65/1130742065.db2.gz NIYZEOKAAZASJE-CVEARBPZSA-N 2 1 292.854 3.552 20 0 CHADMP Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@H](N)Cc1ccccc1 ZINC001235439098 1130743935 /nfs/dbraw/zinc/74/39/35/1130743935.db2.gz BBLHOAJBTKSEIH-QUCCMNQESA-N 2 1 294.442 3.702 20 0 CHADMP Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H]([NH3+])Cc1ccccc1 ZINC001235439098 1130743939 /nfs/dbraw/zinc/74/39/39/1130743939.db2.gz BBLHOAJBTKSEIH-QUCCMNQESA-N 2 1 294.442 3.702 20 0 CHADMP CCCC[N@@H+](CCCCCC[NH3+])Cc1ccccc1 ZINC001235663907 1130763080 /nfs/dbraw/zinc/76/30/80/1130763080.db2.gz NRRNYIVPDMEUAY-UHFFFAOYSA-N 2 1 262.441 3.808 20 0 CHADMP C[N@@H+](CC[C@H]1CCCC[NH2+]1)Cc1cccc2ccccc21 ZINC001235662505 1130763215 /nfs/dbraw/zinc/76/32/15/1130763215.db2.gz IPGZRDNVIPQCSK-GOSISDBHSA-N 2 1 282.431 3.804 20 0 CHADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccsc3)c2)C1 ZINC001235672296 1130764229 /nfs/dbraw/zinc/76/42/29/1130764229.db2.gz AEQCMLQUJXMRGN-HNNXBMFYSA-N 2 1 286.444 3.586 20 0 CHADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccs3)s2)C1 ZINC001235672859 1130764810 /nfs/dbraw/zinc/76/48/10/1130764810.db2.gz ISDUYHDNELQDCL-LBPRGKRZSA-N 2 1 292.473 3.647 20 0 CHADMP Fc1ccccc1[C@@H]1CCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001235677065 1130765441 /nfs/dbraw/zinc/76/54/41/1130765441.db2.gz FMLDSOUCCRCMRF-SFHVURJKSA-N 2 1 290.426 3.742 20 0 CHADMP Clc1ccc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC001235674124 1130765744 /nfs/dbraw/zinc/76/57/44/1130765744.db2.gz MPVPYHZQZGFBDJ-RHSMWYFYSA-N 2 1 292.854 3.867 20 0 CHADMP CC(C)=CCCC1=CC[C@H](C[N@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC001235751234 1130776095 /nfs/dbraw/zinc/77/60/95/1130776095.db2.gz XHZLKCGVLVOYFH-ROUUACIJSA-N 2 1 276.468 3.740 20 0 CHADMP C[NH2+]C1CC[NH+](Cc2ccc(-c3cccs3)cc2)CC1 ZINC001235789648 1130780286 /nfs/dbraw/zinc/78/02/86/1130780286.db2.gz UYUICDXJIRHTHO-UHFFFAOYSA-N 2 1 286.444 3.599 20 0 CHADMP C[N@H+](Cc1ccccc1-c1ccc(F)cc1)C[C@@H]1CC[NH2+]C1 ZINC001235843631 1130787400 /nfs/dbraw/zinc/78/74/00/1130787400.db2.gz ZYRYYAYTCVUJOR-OAHLLOKOSA-N 2 1 298.405 3.534 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1C[C@@H]([NH3+])CC[C@@H]1C ZINC001235900794 1130799467 /nfs/dbraw/zinc/79/94/67/1130799467.db2.gz BTPLTPBMGMELBA-WMZOPIPTSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1C[C@@H]([NH3+])CC[C@@H]1C ZINC001235900794 1130799471 /nfs/dbraw/zinc/79/94/71/1130799471.db2.gz BTPLTPBMGMELBA-WMZOPIPTSA-N 2 1 294.442 3.974 20 0 CHADMP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001235903032 1130800201 /nfs/dbraw/zinc/80/02/01/1130800201.db2.gz ICTVNXUURZKSRQ-AUUYWEPGSA-N 2 1 298.405 3.804 20 0 CHADMP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001235903032 1130800205 /nfs/dbraw/zinc/80/02/05/1130800205.db2.gz ICTVNXUURZKSRQ-AUUYWEPGSA-N 2 1 298.405 3.804 20 0 CHADMP Cc1c(C)c(C)c(C[N@H+]2C[C@H]([NH3+])CC[C@H]2C)c(C)c1C ZINC001235905059 1130801805 /nfs/dbraw/zinc/80/18/05/1130801805.db2.gz KPAJBFSCOJQOMK-PIGZYNQJSA-N 2 1 274.452 3.540 20 0 CHADMP Cc1c(C)c(C)c(C[N@@H+]2C[C@H]([NH3+])CC[C@H]2C)c(C)c1C ZINC001235905059 1130801814 /nfs/dbraw/zinc/80/18/14/1130801814.db2.gz KPAJBFSCOJQOMK-PIGZYNQJSA-N 2 1 274.452 3.540 20 0 CHADMP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1cccc2c3ccccc3oc21 ZINC001235906831 1130803954 /nfs/dbraw/zinc/80/39/54/1130803954.db2.gz OVTLRNBVSYZYEZ-ZFWWWQNUSA-N 2 1 294.398 3.898 20 0 CHADMP C[C@H]1CC[C@H]([NH3+])C[N@H+]1Cc1cccc2c3ccccc3oc21 ZINC001235906831 1130803960 /nfs/dbraw/zinc/80/39/60/1130803960.db2.gz OVTLRNBVSYZYEZ-ZFWWWQNUSA-N 2 1 294.398 3.898 20 0 CHADMP C[C@@H](C[N@H+]1CCC[C@H]1CC[NH3+])c1cccc2ccccc21 ZINC001235925555 1130805855 /nfs/dbraw/zinc/80/58/55/1130805855.db2.gz UYWKIEFCJASQNQ-RDJZCZTQSA-N 2 1 282.431 3.757 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CCC[C@H]2CC[NH3+])cc1 ZINC001235925112 1130805918 /nfs/dbraw/zinc/80/59/18/1130805918.db2.gz AVVXCRUDKBWKSE-KRWDZBQOSA-N 2 1 274.452 3.687 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235925128 1130806690 /nfs/dbraw/zinc/80/66/90/1130806690.db2.gz BUUQSVMAENNUSX-ZDUSSCGKSA-N 2 1 274.433 3.523 20 0 CHADMP c1cc(C2CCCCC2)ccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235934784 1130810984 /nfs/dbraw/zinc/81/09/84/1130810984.db2.gz ALEYGGSCMXRREM-VQTJNVASSA-N 2 1 298.474 3.776 20 0 CHADMP C[C@@H](C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+])c1cccc2ccccc21 ZINC001235958308 1130815892 /nfs/dbraw/zinc/81/58/92/1130815892.db2.gz DJRVJISHZNIFPB-REGYPHIPSA-N 2 1 294.442 3.612 20 0 CHADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@H](c3ccccc3)CC2)cc1 ZINC001235959743 1130817424 /nfs/dbraw/zinc/81/74/24/1130817424.db2.gz JWMLUPMRXZJZLE-FQEVSTJZSA-N 2 1 294.442 3.915 20 0 CHADMP CC[N@@H+](CCC[NH2+]C1CCCCC1)Cc1ccc(F)cc1 ZINC001235962854 1130818548 /nfs/dbraw/zinc/81/85/48/1130818548.db2.gz PBUFUQCZFNAOEM-UHFFFAOYSA-N 2 1 292.442 3.960 20 0 CHADMP Cc1cccc(-c2ccc(C[N@@H+]3C[C@@H]4CC[C@]4([NH3+])C3)cc2)c1 ZINC001235994787 1130824594 /nfs/dbraw/zinc/82/45/94/1130824594.db2.gz UNNPEBPNYNETKT-PMACEKPBSA-N 2 1 292.426 3.585 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3C[C@@H]4CC[C@]4([NH3+])C3)cc2)c1 ZINC001235994787 1130824600 /nfs/dbraw/zinc/82/46/00/1130824600.db2.gz UNNPEBPNYNETKT-PMACEKPBSA-N 2 1 292.426 3.585 20 0 CHADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001236049836 1130838662 /nfs/dbraw/zinc/83/86/62/1130838662.db2.gz QTOHLGXVSGFILB-RDTXWAMCSA-N 2 1 298.405 3.662 20 0 CHADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001236049836 1130838667 /nfs/dbraw/zinc/83/86/67/1130838667.db2.gz QTOHLGXVSGFILB-RDTXWAMCSA-N 2 1 298.405 3.662 20 0 CHADMP CC[N@@H+](CCC1CC[NH2+]CC1)Cc1c(F)cccc1Cl ZINC001236104948 1130865147 /nfs/dbraw/zinc/86/51/47/1130865147.db2.gz OSYBVEAJJLAYAJ-UHFFFAOYSA-N 2 1 298.833 3.691 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC001236130003 1130871456 /nfs/dbraw/zinc/87/14/56/1130871456.db2.gz QGBDGEMHKOFWOO-INIZCTEOSA-N 2 1 282.378 3.621 20 0 CHADMP Cc1cccc(-c2ccc(C[N@@H+](C)CCCC[NH3+])cc2)c1 ZINC001236142525 1130874646 /nfs/dbraw/zinc/87/46/46/1130874646.db2.gz YAXAPYNUBBGRPL-UHFFFAOYSA-N 2 1 282.431 3.833 20 0 CHADMP Cc1csc2sc(C[N@@H+](C)CCCC[NH3+])c(C)c12 ZINC001236141844 1130874771 /nfs/dbraw/zinc/87/47/71/1130874771.db2.gz MTRFFWKLPVSMKS-UHFFFAOYSA-N 2 1 282.478 3.750 20 0 CHADMP CCC[N@@H+](CC[C@H]1CC=C(C)C1(C)C)C1CC[NH2+]CC1 ZINC001236180434 1130879613 /nfs/dbraw/zinc/87/96/13/1130879613.db2.gz HIJAJKDRRSIQLP-MRXNPFEDSA-N 2 1 278.484 3.833 20 0 CHADMP CCC[N@@H+](CCCCCc1ccccc1)C1CC[NH2+]CC1 ZINC001236180884 1130879766 /nfs/dbraw/zinc/87/97/66/1130879766.db2.gz PPTWNAJSNXSDBC-UHFFFAOYSA-N 2 1 288.479 3.863 20 0 CHADMP CCC[N@@H+](CC[C@@H](C)c1ccc(C)o1)C1CC[NH2+]CC1 ZINC001236180823 1130880630 /nfs/dbraw/zinc/88/06/30/1130880630.db2.gz OPLLMKYKRAMESM-CQSZACIVSA-N 2 1 278.440 3.546 20 0 CHADMP CCC[N@@H+](Cc1ccc2ccsc2c1)C1CC[NH2+]CC1 ZINC001236185139 1130882198 /nfs/dbraw/zinc/88/21/98/1130882198.db2.gz XMEOGKVQGYAGTJ-UHFFFAOYSA-N 2 1 288.460 3.865 20 0 CHADMP CCC[N@H+](Cc1c2ccoc2ccc1F)C1CC[NH2+]CC1 ZINC001236184705 1130882364 /nfs/dbraw/zinc/88/23/64/1130882364.db2.gz MENBCZSBGRNBGK-UHFFFAOYSA-N 2 1 290.382 3.536 20 0 CHADMP CCC[N@@H+](Cc1c2ccoc2ccc1F)C1CC[NH2+]CC1 ZINC001236184705 1130882374 /nfs/dbraw/zinc/88/23/74/1130882374.db2.gz MENBCZSBGRNBGK-UHFFFAOYSA-N 2 1 290.382 3.536 20 0 CHADMP CCCCOc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236210316 1130888220 /nfs/dbraw/zinc/88/82/20/1130888220.db2.gz AUSFPPDWIKELMW-ZWKOTPCHSA-N 2 1 290.451 3.567 20 0 CHADMP CCCCOc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236210316 1130888228 /nfs/dbraw/zinc/88/82/28/1130888228.db2.gz AUSFPPDWIKELMW-ZWKOTPCHSA-N 2 1 290.451 3.567 20 0 CHADMP C[N@H+](Cc1cc2ccccc2s1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236211919 1130888742 /nfs/dbraw/zinc/88/87/42/1130888742.db2.gz JXTOQNHLQTUNJN-CABCVRRESA-N 2 1 274.433 3.603 20 0 CHADMP C[N@@H+](Cc1cc2ccccc2s1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236211919 1130888746 /nfs/dbraw/zinc/88/87/46/1130888746.db2.gz JXTOQNHLQTUNJN-CABCVRRESA-N 2 1 274.433 3.603 20 0 CHADMP CCc1cc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])ccc1Cl ZINC001236214548 1130889370 /nfs/dbraw/zinc/88/93/70/1130889370.db2.gz FSZNZNYGXDXCMK-CVEARBPZSA-N 2 1 280.843 3.604 20 0 CHADMP CCc1cc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])ccc1Cl ZINC001236214548 1130889378 /nfs/dbraw/zinc/88/93/78/1130889378.db2.gz FSZNZNYGXDXCMK-CVEARBPZSA-N 2 1 280.843 3.604 20 0 CHADMP C[N@H+](Cc1c[nH]c2ccc(Cl)cc12)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236212952 1130889790 /nfs/dbraw/zinc/88/97/90/1130889790.db2.gz MWCLREHYNDGFBT-GOEBONIOSA-N 2 1 291.826 3.523 20 0 CHADMP C[N@@H+](Cc1c[nH]c2ccc(Cl)cc12)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236212952 1130889796 /nfs/dbraw/zinc/88/97/96/1130889796.db2.gz MWCLREHYNDGFBT-GOEBONIOSA-N 2 1 291.826 3.523 20 0 CHADMP C[N@H+](Cc1c[nH]c2cccc(Cl)c12)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215324 1130890286 /nfs/dbraw/zinc/89/02/86/1130890286.db2.gz GVZXXGMGRZPGQZ-ZFWWWQNUSA-N 2 1 291.826 3.523 20 0 CHADMP C[N@@H+](Cc1c[nH]c2cccc(Cl)c12)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215324 1130890292 /nfs/dbraw/zinc/89/02/92/1130890292.db2.gz GVZXXGMGRZPGQZ-ZFWWWQNUSA-N 2 1 291.826 3.523 20 0 CHADMP CCCCc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])s1 ZINC001236216877 1130893040 /nfs/dbraw/zinc/89/30/40/1130893040.db2.gz LTLIGZSVDZUFSX-HZPDHXFCSA-N 2 1 280.481 3.792 20 0 CHADMP CCCCc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])s1 ZINC001236216877 1130893048 /nfs/dbraw/zinc/89/30/48/1130893048.db2.gz LTLIGZSVDZUFSX-HZPDHXFCSA-N 2 1 280.481 3.792 20 0 CHADMP C[N@H+](Cc1ccc(OC(C)(C)C)cc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219824 1130893531 /nfs/dbraw/zinc/89/35/31/1130893531.db2.gz XUTWRESGGQNTNF-SJORKVTESA-N 2 1 290.451 3.566 20 0 CHADMP C[N@@H+](Cc1ccc(OC(C)(C)C)cc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219824 1130893539 /nfs/dbraw/zinc/89/35/39/1130893539.db2.gz XUTWRESGGQNTNF-SJORKVTESA-N 2 1 290.451 3.566 20 0 CHADMP CC(C)c1ccc(C[N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236220960 1130894781 /nfs/dbraw/zinc/89/47/81/1130894781.db2.gz BHXDXUUUJOSGSC-QAQDUYKDSA-N 2 1 260.425 3.512 20 0 CHADMP COC(C)(C)CCC[C@@H](C)CC[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236222556 1130895018 /nfs/dbraw/zinc/89/50/18/1130895018.db2.gz IZPQHWWJFGIWAK-MRXNPFEDSA-N 2 1 298.515 3.682 20 0 CHADMP CCCCOc1cccc(C[N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236224462 1130896157 /nfs/dbraw/zinc/89/61/57/1130896157.db2.gz UPSOBXYCAXWCKE-QAQDUYKDSA-N 2 1 290.451 3.567 20 0 CHADMP C[N@@H+](Cc1cc(Cl)cc(Cl)c1)C1(C)CC[NH2+]CC1 ZINC001236223371 1130896829 /nfs/dbraw/zinc/89/68/29/1130896829.db2.gz NFYSHOMUAWWRPY-UHFFFAOYSA-N 2 1 287.234 3.567 20 0 CHADMP Cc1cc(C[N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)cc(C)c1Cl ZINC001236222949 1130898132 /nfs/dbraw/zinc/89/81/32/1130898132.db2.gz KHTGMXXHYFBHED-SHTZXODSSA-N 2 1 280.843 3.659 20 0 CHADMP Cc1ccc(C[N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)cc1C ZINC001236241789 1130902713 /nfs/dbraw/zinc/90/27/13/1130902713.db2.gz VPGPDQYCWHBJCM-UHFFFAOYSA-N 2 1 294.442 3.581 20 0 CHADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(C)c(C)c1 ZINC001236242103 1130903325 /nfs/dbraw/zinc/90/33/25/1130903325.db2.gz XFTUUWVUMCVWET-QGZVFWFLSA-N 2 1 274.452 3.515 20 0 CHADMP Cc1ccccc1C[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236285223 1130911177 /nfs/dbraw/zinc/91/11/77/1130911177.db2.gz CVTUYYLYPJQXSD-UHFFFAOYSA-N 2 1 294.442 3.749 20 0 CHADMP [NH3+]CCCC[N@H+]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001236302661 1130911530 /nfs/dbraw/zinc/91/15/30/1130911530.db2.gz AIJYSLOMVFRKJJ-CQSZACIVSA-N 2 1 286.341 3.581 20 0 CHADMP C[C@H](CC[N@H+]1CC[C@H]([NH3+])[C@@H](C(F)(F)F)C1)CC(C)(C)C ZINC001236354520 1130917073 /nfs/dbraw/zinc/91/70/73/1130917073.db2.gz KFBCFTYHFNSHAV-AGIUHOORSA-N 2 1 294.405 3.660 20 0 CHADMP Cc1ccsc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373888 1130923873 /nfs/dbraw/zinc/92/38/73/1130923873.db2.gz MYQRYKFCZPYFNH-OAHLLOKOSA-N 2 1 292.492 3.801 20 0 CHADMP Fc1ccc(C[N@H+](CC2CCCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236388108 1130925063 /nfs/dbraw/zinc/92/50/63/1130925063.db2.gz HWRNMXJNVGPMNR-SFHVURJKSA-N 2 1 290.426 3.570 20 0 CHADMP Fc1ccc(C[N@@H+](CC2CCCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236388108 1130925066 /nfs/dbraw/zinc/92/50/66/1130925066.db2.gz HWRNMXJNVGPMNR-SFHVURJKSA-N 2 1 290.426 3.570 20 0 CHADMP CC[N@@H+](C[C@H](C)c1cccc2ccccc21)C[C@H]1CC[NH2+]C1 ZINC001236408323 1130931226 /nfs/dbraw/zinc/93/12/26/1130931226.db2.gz NOWKOCZUYNIQKA-IRXDYDNUSA-N 2 1 296.458 3.875 20 0 CHADMP CCCCCCc1ccc(C[N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)s1 ZINC001236411806 1130932831 /nfs/dbraw/zinc/93/28/31/1130932831.db2.gz PKRMJVVNUITRKK-FVQHAEBGSA-N 2 1 292.492 3.521 20 0 CHADMP CCCCCCc1ccc(C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)s1 ZINC001236411806 1130932834 /nfs/dbraw/zinc/93/28/34/1130932834.db2.gz PKRMJVVNUITRKK-FVQHAEBGSA-N 2 1 292.492 3.521 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H](C)c1cccc2ccccc21 ZINC001236420594 1130935508 /nfs/dbraw/zinc/93/55/08/1130935508.db2.gz QAEWOEKQPDQTIF-NVXWUHKLSA-N 2 1 282.431 3.627 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H](C)c1cccc2ccccc21 ZINC001236420594 1130935515 /nfs/dbraw/zinc/93/55/15/1130935515.db2.gz QAEWOEKQPDQTIF-NVXWUHKLSA-N 2 1 282.431 3.627 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+]1CCC[C@H]([NH3+])[C@@H]1C ZINC001236421958 1130936890 /nfs/dbraw/zinc/93/68/90/1130936890.db2.gz UYJXSOLGTWKAGV-JSGCOSHPSA-N 2 1 274.433 3.521 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+]1CCC[C@H]([NH3+])[C@@H]1C ZINC001236421958 1130936893 /nfs/dbraw/zinc/93/68/93/1130936893.db2.gz UYJXSOLGTWKAGV-JSGCOSHPSA-N 2 1 274.433 3.521 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3CCC[C@@H]([NH3+])[C@@H]3C)cc2)c1 ZINC001236422609 1130937235 /nfs/dbraw/zinc/93/72/35/1130937235.db2.gz YRCZVRONLYAKIC-OXJNMPFZSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1cccc(-c2ccc(C[N@@H+]3CCC[C@@H]([NH3+])[C@@H]3C)cc2)c1 ZINC001236422609 1130937238 /nfs/dbraw/zinc/93/72/38/1130937238.db2.gz YRCZVRONLYAKIC-OXJNMPFZSA-N 2 1 294.442 3.974 20 0 CHADMP C[NH+](C)Cc1cccc(-c2ccc([C@H]3CC[N@@H+](C)C3)cc2)c1 ZINC001236425822 1130938434 /nfs/dbraw/zinc/93/84/34/1130938434.db2.gz IKNCBWXNDLHZBO-FQEVSTJZSA-N 2 1 294.442 3.834 20 0 CHADMP Cc1cc(C)cc([C@@H]2CCC[N@H+]2CCCCCC[NH3+])c1 ZINC001236428977 1130939604 /nfs/dbraw/zinc/93/96/04/1130939604.db2.gz UBIGQZVEJOGQBH-SFHVURJKSA-N 2 1 274.452 3.959 20 0 CHADMP Cc1cc(C)cc([C@@H]2CCC[N@H+]2CCCCC[NH3+])c1 ZINC001236428797 1130940148 /nfs/dbraw/zinc/94/01/48/1130940148.db2.gz NUADBYXGRBIHIG-KRWDZBQOSA-N 2 1 260.425 3.569 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001236435111 1130940411 /nfs/dbraw/zinc/94/04/11/1130940411.db2.gz RYMWUDRYMYIYLM-LJQANCHMSA-N 2 1 298.405 3.535 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001236435111 1130940415 /nfs/dbraw/zinc/94/04/15/1130940415.db2.gz RYMWUDRYMYIYLM-LJQANCHMSA-N 2 1 298.405 3.535 20 0 CHADMP COc1cc(C)[nH+]cc1-c1ccc(C[NH2+]CC(C)C)cc1 ZINC001236435202 1130941291 /nfs/dbraw/zinc/94/12/91/1130941291.db2.gz CITURQGPCIXKTB-UHFFFAOYSA-N 2 1 284.403 3.811 20 0 CHADMP c1ccc(C[N@H+](CC2CC3(C2)CC[NH2+]CC3)C2CCC2)cc1 ZINC001236439856 1130942595 /nfs/dbraw/zinc/94/25/95/1130942595.db2.gz BSCAIGRETSIWCU-UHFFFAOYSA-N 2 1 298.474 3.821 20 0 CHADMP c1ccc(C[N@H+](CC[C@H]2CCCC[NH2+]2)C2CCC2)cc1 ZINC001236439939 1130942787 /nfs/dbraw/zinc/94/27/87/1130942787.db2.gz CHHGUQVEGDHYPF-QGZVFWFLSA-N 2 1 272.436 3.573 20 0 CHADMP C[C@@H]1C[C@@H]1C[N@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001236449916 1130945279 /nfs/dbraw/zinc/94/52/79/1130945279.db2.gz DVTGFGNIUJDXAB-UKRRQHHQSA-N 2 1 292.854 3.550 20 0 CHADMP C[C@@H]1C[C@@H]1C[N@@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001236449916 1130945281 /nfs/dbraw/zinc/94/52/81/1130945281.db2.gz DVTGFGNIUJDXAB-UKRRQHHQSA-N 2 1 292.854 3.550 20 0 CHADMP Cc1ccc(F)cc1C[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236458536 1130946983 /nfs/dbraw/zinc/94/69/83/1130946983.db2.gz WGAZBNVXKLFGEY-UHFFFAOYSA-N 2 1 292.442 3.734 20 0 CHADMP CC(C)(C)C[N@@H+](Cc1cccc2[nH]ccc21)C1CC[NH2+]CC1 ZINC001236456793 1130947282 /nfs/dbraw/zinc/94/72/82/1130947282.db2.gz HEKFNHBDYMUCIQ-UHFFFAOYSA-N 2 1 299.462 3.768 20 0 CHADMP Cc1ccc(F)c(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236551756 1130973740 /nfs/dbraw/zinc/97/37/40/1130973740.db2.gz MXKAZQRPQLORLH-QAQDUYKDSA-N 2 1 290.426 3.616 20 0 CHADMP Cc1cc(C)cc(C[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236571884 1130977944 /nfs/dbraw/zinc/97/79/44/1130977944.db2.gz JGTUMSQQIAHETA-UAPYVXQJSA-N 2 1 286.463 3.928 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2Cl)C2CCC2)CC1 ZINC001236572874 1130978214 /nfs/dbraw/zinc/97/82/14/1130978214.db2.gz VVYSFIBMAGNHNT-KOMQPUFPSA-N 2 1 292.854 3.964 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(Cl)cc2)C2CCC2)CC1 ZINC001236572937 1130978459 /nfs/dbraw/zinc/97/84/59/1130978459.db2.gz XGYQJINTHNECIY-JCNLHEQBSA-N 2 1 292.854 3.964 20 0 CHADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc3oc4ccccc4c3c2)C1 ZINC001236605329 1130983219 /nfs/dbraw/zinc/98/32/19/1130983219.db2.gz QWWZSPNBRUWANY-IBGZPJMESA-N 2 1 294.398 3.757 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CC[C@](C)(C[NH3+])C3)cc2)cc1 ZINC001236605476 1130983631 /nfs/dbraw/zinc/98/36/31/1130983631.db2.gz VKNHCBFRJILIEA-HXUWFJFHSA-N 2 1 294.442 3.833 20 0 CHADMP C(CC1CCCC1)C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236634799 1130986429 /nfs/dbraw/zinc/98/64/29/1130986429.db2.gz XXISXARMOPIPLE-UHFFFAOYSA-N 2 1 264.457 3.563 20 0 CHADMP CC1(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)CCCCC1 ZINC001236633837 1130987523 /nfs/dbraw/zinc/98/75/23/1130987523.db2.gz MZNQGDWYJFDCON-UHFFFAOYSA-N 2 1 264.457 3.563 20 0 CHADMP Cc1cccc(C[N@H+](C2CCC2)C2CC[NH2+]CC2)c1Cl ZINC001236637736 1130987542 /nfs/dbraw/zinc/98/75/42/1130987542.db2.gz UTMNPZIBGDWQIT-UHFFFAOYSA-N 2 1 292.854 3.755 20 0 CHADMP Cc1cccc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c1Cl ZINC001236637736 1130987546 /nfs/dbraw/zinc/98/75/46/1130987546.db2.gz UTMNPZIBGDWQIT-UHFFFAOYSA-N 2 1 292.854 3.755 20 0 CHADMP Cc1cc(C)c(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)cc1C ZINC001236637745 1130987699 /nfs/dbraw/zinc/98/76/99/1130987699.db2.gz UWZKITPWUSGOOQ-UHFFFAOYSA-N 2 1 286.463 3.718 20 0 CHADMP Cc1cccc(C[N@@H+](Cc2ccco2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236726651 1131000602 /nfs/dbraw/zinc/00/06/02/1131000602.db2.gz MEJZLCUQXXUXJY-IYARVYRRSA-N 2 1 298.430 3.860 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000815583642 1131003381 /nfs/dbraw/zinc/00/33/81/1131003381.db2.gz KWOXEIAQTMLYBI-AWEZNQCLSA-N 2 1 289.398 3.770 20 0 CHADMP Cc1c[nH]c(C[N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1C ZINC001236768814 1131004788 /nfs/dbraw/zinc/00/47/88/1131004788.db2.gz XBAAHMGKMSNGPD-WKILWMFISA-N 2 1 291.483 3.750 20 0 CHADMP CC(C)(C)C[N@@H+](Cc1cccs1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236769697 1131005150 /nfs/dbraw/zinc/00/51/50/1131005150.db2.gz ZNFPEZLGUXYLMC-HDJSIYSDSA-N 2 1 280.481 3.866 20 0 CHADMP CCC[N@H+](Cc1ccc(C(C)C)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236835609 1131018690 /nfs/dbraw/zinc/01/86/90/1131018690.db2.gz NWNPMDYPHMFSLK-QGZVFWFLSA-N 2 1 274.452 3.632 20 0 CHADMP CCC[N@H+](Cc1ccc(C)c2ccccc12)C[C@@H]1CC[NH2+]C1 ZINC001236835910 1131019353 /nfs/dbraw/zinc/01/93/53/1131019353.db2.gz QOJBXPNDFULBME-QGZVFWFLSA-N 2 1 296.458 3.970 20 0 CHADMP CCC[N@H+](Cc1ccc2cccccc1-2)C[C@H]1CC[NH2+]C1 ZINC001236842992 1131020423 /nfs/dbraw/zinc/02/04/23/1131020423.db2.gz JDZCJIPHGNMRCB-INIZCTEOSA-N 2 1 282.431 3.613 20 0 CHADMP CCC[N@@H+](Cc1cc(C)c(Cl)cc1F)C[C@H]1CC[NH2+]C1 ZINC001236843149 1131020946 /nfs/dbraw/zinc/02/09/46/1131020946.db2.gz LDTYXTXXXIJLQQ-ZDUSSCGKSA-N 2 1 298.833 3.609 20 0 CHADMP CCC[N@H+](Cc1cc(C)c(Cl)cc1F)C[C@H]1CC[NH2+]C1 ZINC001236843149 1131020952 /nfs/dbraw/zinc/02/09/52/1131020952.db2.gz LDTYXTXXXIJLQQ-ZDUSSCGKSA-N 2 1 298.833 3.609 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H](CCc2ccccc2)C1 ZINC001236947592 1131033129 /nfs/dbraw/zinc/03/31/29/1131033129.db2.gz AKUMWWHQDLESLW-IBGZPJMESA-N 2 1 288.479 3.850 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c2ccccc12 ZINC001237059805 1131042395 /nfs/dbraw/zinc/04/23/95/1131042395.db2.gz VNYDWZZGQFJBSJ-IBGZPJMESA-N 2 1 282.431 3.709 20 0 CHADMP Cc1c(C)c(C)c(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c(C)c1C ZINC001237055231 1131042673 /nfs/dbraw/zinc/04/26/73/1131042673.db2.gz BPQBUKUBWLRTCQ-IBGZPJMESA-N 2 1 288.479 3.790 20 0 CHADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237060283 1131043503 /nfs/dbraw/zinc/04/35/03/1131043503.db2.gz ZHJYGYOCCVHRDX-AEFFLSMTSA-N 2 1 298.515 3.669 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237055105 1131044042 /nfs/dbraw/zinc/04/40/42/1131044042.db2.gz ADQCDIQNOXYJGV-QGZVFWFLSA-N 2 1 288.460 3.771 20 0 CHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccsc3Cl)C2)CC1 ZINC000798957158 1131063950 /nfs/dbraw/zinc/06/39/50/1131063950.db2.gz WWEDXFLEKPSZHG-UHFFFAOYSA-N 2 1 298.883 3.709 20 0 CHADMP CC(C)CCC[N@@H+]1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237306126 1131080779 /nfs/dbraw/zinc/08/07/79/1131080779.db2.gz ZUUPPKBQDUUNDJ-UHFFFAOYSA-N 2 1 272.436 3.517 20 0 CHADMP CC(C)CCC[N@H+]1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237306126 1131080783 /nfs/dbraw/zinc/08/07/83/1131080783.db2.gz ZUUPPKBQDUUNDJ-UHFFFAOYSA-N 2 1 272.436 3.517 20 0 CHADMP CCC[C@@H](C)C[N@H+]1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237301734 1131080947 /nfs/dbraw/zinc/08/09/47/1131080947.db2.gz ZOPDZXYOLAHPKJ-OAHLLOKOSA-N 2 1 272.436 3.517 20 0 CHADMP Cc1cc(F)cc(C)c1C[N@H+](C(C)C)C1CCN(C)CC1 ZINC001237336294 1131086300 /nfs/dbraw/zinc/08/63/00/1131086300.db2.gz VBOIFJHDMSRDJT-UHFFFAOYSA-N 2 1 292.442 3.747 20 0 CHADMP CCc1cccc(C)c1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001237333126 1131086982 /nfs/dbraw/zinc/08/69/82/1131086982.db2.gz IWMIJUWYNKFYAH-UHFFFAOYSA-N 2 1 286.463 3.618 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237375503 1131091460 /nfs/dbraw/zinc/09/14/60/1131091460.db2.gz NDOTWBBVYVDNAY-OKZBNKHCSA-N 2 1 278.484 3.833 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237375503 1131091466 /nfs/dbraw/zinc/09/14/66/1131091466.db2.gz NDOTWBBVYVDNAY-OKZBNKHCSA-N 2 1 278.484 3.833 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237379610 1131093070 /nfs/dbraw/zinc/09/30/70/1131093070.db2.gz BZVTZVLWNFFILY-NMBNSIPYSA-N 2 1 264.457 3.587 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237411144 1131097883 /nfs/dbraw/zinc/09/78/83/1131097883.db2.gz GBRHVILTJIBNFG-PBHICJAKSA-N 2 1 292.854 3.531 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237411144 1131097889 /nfs/dbraw/zinc/09/78/89/1131097889.db2.gz GBRHVILTJIBNFG-PBHICJAKSA-N 2 1 292.854 3.531 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(Cl)s2)C1 ZINC001116293377 1131140205 /nfs/dbraw/zinc/14/02/05/1131140205.db2.gz PUJWOMUCFMILTC-VXGBXAGGSA-N 2 1 286.872 3.784 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC001116410092 1131144632 /nfs/dbraw/zinc/14/46/32/1131144632.db2.gz SSEOZAXSZDOPBB-GUYCJALGSA-N 2 1 292.854 3.649 20 0 CHADMP Cc1ccc(C2CC([NH2+][C@@H]3CCCC[C@@H]3[NH+](C)C)C2)cc1 ZINC001116535938 1131152906 /nfs/dbraw/zinc/15/29/06/1131152906.db2.gz UCSNPLGZZZMMRR-GMNCBBECSA-N 2 1 286.463 3.703 20 0 CHADMP Cc1ccccc1C1CC([NH2+][C@@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001116544199 1131154421 /nfs/dbraw/zinc/15/44/21/1131154421.db2.gz JWXSXKHUZAAVBG-LRMJVLKBSA-N 2 1 286.463 3.703 20 0 CHADMP CC(C)(C)C1CC[NH+](Cc2cccc3c[nH+]cn32)CC1 ZINC001238104091 1131172747 /nfs/dbraw/zinc/17/27/47/1131172747.db2.gz SMFVCIBFPGSJJK-UHFFFAOYSA-N 2 1 271.408 3.592 20 0 CHADMP C[C@@H]([NH2+]CC1CCCCCCC1)c1c[nH+]ccc1N ZINC000817890776 1131185962 /nfs/dbraw/zinc/18/59/62/1131185962.db2.gz YVPMIFOYWVSOSZ-CYBMUJFWSA-N 2 1 261.413 3.505 20 0 CHADMP Cc1cccc(C)c1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000817908047 1131188394 /nfs/dbraw/zinc/18/83/94/1131188394.db2.gz MQGASSUQYHSNTC-ROUUACIJSA-N 2 1 266.388 3.538 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccccc1SC(C)(C)C ZINC000817964508 1131192309 /nfs/dbraw/zinc/19/23/09/1131192309.db2.gz BBJUXWUFTFIKEH-IUODEOHRSA-N 2 1 292.492 3.965 20 0 CHADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccccc1SC(C)(C)C ZINC000817980711 1131195245 /nfs/dbraw/zinc/19/52/45/1131195245.db2.gz WPJJVGQWPXSVIV-CHWSQXEVSA-N 2 1 280.481 3.965 20 0 CHADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001246323713 1131468550 /nfs/dbraw/zinc/46/85/50/1131468550.db2.gz DVLTYJMEQAKYCE-OWCLPIDISA-N 2 1 264.457 3.610 20 0 CHADMP Cc1ccc2c(C[NH+]3CCC([NH+]4CCCC4)CC3)c[nH]c2c1 ZINC001136967654 1131490377 /nfs/dbraw/zinc/49/03/77/1131490377.db2.gz LZRPBYKPNLXTJN-UHFFFAOYSA-N 2 1 297.446 3.537 20 0 CHADMP Cc1c2ccccc2sc1C[NH+]1CCC([NH+](C)C)CC1 ZINC001138458641 1131507897 /nfs/dbraw/zinc/50/78/97/1131507897.db2.gz GSFREESTXFBTFV-UHFFFAOYSA-N 2 1 288.460 3.736 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCCC[C@@H](F)C2)cc1 ZINC001138545039 1131518986 /nfs/dbraw/zinc/51/89/86/1131518986.db2.gz QSJDJQXIUJQFNU-MRXNPFEDSA-N 2 1 287.382 3.505 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCCC[C@@H](F)C2)cc1 ZINC001138545039 1131518988 /nfs/dbraw/zinc/51/89/88/1131518988.db2.gz QSJDJQXIUJQFNU-MRXNPFEDSA-N 2 1 287.382 3.505 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(C)(C)CC2)cc1 ZINC001138547065 1131518999 /nfs/dbraw/zinc/51/89/99/1131518999.db2.gz DHHCRJPYWWWXMB-UHFFFAOYSA-N 2 1 283.419 3.803 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CC3(C2)CCCCC3)cc1 ZINC001138548300 1131520288 /nfs/dbraw/zinc/52/02/88/1131520288.db2.gz DNGYSJUBGZLNCI-UHFFFAOYSA-N 2 1 295.430 3.947 20 0 CHADMP CCCCc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)s1 ZINC001138756690 1131546888 /nfs/dbraw/zinc/54/68/88/1131546888.db2.gz IEIPVBCSGPVKDG-UHFFFAOYSA-N 2 1 294.508 3.864 20 0 CHADMP CCC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@H](C)CC ZINC001138768784 1131548483 /nfs/dbraw/zinc/54/84/83/1131548483.db2.gz AYVJIFZCVFFFRB-MRXNPFEDSA-N 2 1 292.467 3.638 20 0 CHADMP C[C@@H]1CC[N@H+]([C@H]2CCCC3(CCCCC3)C2)C[C@@H]1C[NH3+] ZINC001246553805 1131612409 /nfs/dbraw/zinc/61/24/09/1131612409.db2.gz UYYHFKDVZLCTJU-IKGGRYGDSA-N 2 1 278.484 3.796 20 0 CHADMP CCCC[C@H](CC(C)C)[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246564637 1131625835 /nfs/dbraw/zinc/62/58/35/1131625835.db2.gz YCZOOLDMLAWQKF-BRWVUGGUSA-N 2 1 268.489 3.898 20 0 CHADMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCCC3(CCCCC3)C2)CC[C@H]1F ZINC001246567232 1131635070 /nfs/dbraw/zinc/63/50/70/1131635070.db2.gz HOWWDOMDVFLOFD-BZUAXINKSA-N 2 1 282.447 3.641 20 0 CHADMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCCC3(CCCCC3)C2)CC[C@H]1F ZINC001246567232 1131635074 /nfs/dbraw/zinc/63/50/74/1131635074.db2.gz HOWWDOMDVFLOFD-BZUAXINKSA-N 2 1 282.447 3.641 20 0 CHADMP [NH3+][C@@H]1CC[N@@H+]([C@H]2CCCC3(CCCCC3)C2)CC[C@@H]1F ZINC001246567234 1131635456 /nfs/dbraw/zinc/63/54/56/1131635456.db2.gz HOWWDOMDVFLOFD-HRCADAONSA-N 2 1 282.447 3.641 20 0 CHADMP [NH3+][C@@H]1CC[N@H+]([C@H]2CCCC3(CCCCC3)C2)CC[C@@H]1F ZINC001246567234 1131635460 /nfs/dbraw/zinc/63/54/60/1131635460.db2.gz HOWWDOMDVFLOFD-HRCADAONSA-N 2 1 282.447 3.641 20 0 CHADMP C[C@@]1(F)CCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC001246569287 1131638996 /nfs/dbraw/zinc/63/89/96/1131638996.db2.gz OSQPMLVQXJTIOP-MRXNPFEDSA-N 2 1 282.447 3.513 20 0 CHADMP C[NH+](C)CCC[N@@H+](C)Cc1cccc2c3ccccc3oc21 ZINC001139858145 1131642038 /nfs/dbraw/zinc/64/20/38/1131642038.db2.gz XXSFOZLNQZVJGW-UHFFFAOYSA-N 2 1 296.414 3.970 20 0 CHADMP CC(C)C1CCC([N@H+]2CCCC[C@@](C)(C[NH3+])C2)CC1 ZINC001246578889 1131670116 /nfs/dbraw/zinc/67/01/16/1131670116.db2.gz DCNGITWIPKXLJT-JCYILVPMSA-N 2 1 266.473 3.652 20 0 CHADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(-c2ccncc2)cc1 ZINC001140174224 1131672153 /nfs/dbraw/zinc/67/21/53/1131672153.db2.gz KFOVUHFAHFTKJC-UHFFFAOYSA-N 2 1 297.446 3.522 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(-c2ccncc2)cc1 ZINC001140174224 1131672155 /nfs/dbraw/zinc/67/21/55/1131672155.db2.gz KFOVUHFAHFTKJC-UHFFFAOYSA-N 2 1 297.446 3.522 20 0 CHADMP CCc1nc(C)c([C@H](C)[N@@H+](C)CCCCCC[NH3+])s1 ZINC000846219595 1131701806 /nfs/dbraw/zinc/70/18/06/1131701806.db2.gz CRPQNQHMXLRFPF-ZDUSSCGKSA-N 2 1 283.485 3.526 20 0 CHADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246595240 1131709630 /nfs/dbraw/zinc/70/96/30/1131709630.db2.gz SIAIJQKFKMWGIN-XHSDSOJGSA-N 2 1 254.462 3.652 20 0 CHADMP CC(C)CCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246615781 1131719182 /nfs/dbraw/zinc/71/91/82/1131719182.db2.gz SPZYCHUISSBRKQ-SJORKVTESA-N 2 1 266.473 3.809 20 0 CHADMP CC(C)CCC[C@@H](C)[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246615781 1131719188 /nfs/dbraw/zinc/71/91/88/1131719188.db2.gz SPZYCHUISSBRKQ-SJORKVTESA-N 2 1 266.473 3.809 20 0 CHADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1csc2ccccc12 ZINC000846854651 1131750127 /nfs/dbraw/zinc/75/01/27/1131750127.db2.gz KJXGCEMMJOAHMH-CYBMUJFWSA-N 2 1 299.443 3.918 20 0 CHADMP CCCCCC[C@@H](CC)[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246644490 1131771181 /nfs/dbraw/zinc/77/11/81/1131771181.db2.gz QPQZSTOUDVPISF-SJORKVTESA-N 2 1 266.473 3.953 20 0 CHADMP CCCCCC[C@H](CCCC)[N@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001246677594 1131778588 /nfs/dbraw/zinc/77/85/88/1131778588.db2.gz WFURAECVEAOZOA-YESZJQIVSA-N 2 1 266.473 3.809 20 0 CHADMP CCCCCC1CCC([N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC001246665296 1131779286 /nfs/dbraw/zinc/77/92/86/1131779286.db2.gz ZBOITYBYGYIDPB-JYSRZZCRSA-N 2 1 278.484 3.809 20 0 CHADMP CCCCCC1CCC([N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC001246665296 1131779293 /nfs/dbraw/zinc/77/92/93/1131779293.db2.gz ZBOITYBYGYIDPB-JYSRZZCRSA-N 2 1 278.484 3.809 20 0 CHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+](C)C(C)(C)C)CC[NH2+]1 ZINC001246770091 1131781564 /nfs/dbraw/zinc/78/15/64/1131781564.db2.gz NMFAZRQPGAKSIB-HOCLYGCPSA-N 2 1 278.415 3.658 20 0 CHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+](C)C(C)(C)C)CC[NH2+]1 ZINC001246770091 1131781568 /nfs/dbraw/zinc/78/15/68/1131781568.db2.gz NMFAZRQPGAKSIB-HOCLYGCPSA-N 2 1 278.415 3.658 20 0 CHADMP CCCCC(CCCC)[N@@H+]1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001246698432 1131781967 /nfs/dbraw/zinc/78/19/67/1131781967.db2.gz XWNICBXKUHTFET-ZBFHGGJFSA-N 2 1 284.463 3.744 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001247004247 1131840227 /nfs/dbraw/zinc/84/02/27/1131840227.db2.gz RHXCICBBELGLAC-JYJNAYRXSA-N 2 1 254.462 3.652 20 0 CHADMP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)C12CC3CC(CC(C3)C1)C2 ZINC001140803112 1131926592 /nfs/dbraw/zinc/92/65/92/1131926592.db2.gz KZEDASWUPUIGPP-UHFFFAOYSA-N 2 1 295.430 3.964 20 0 CHADMP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)C12CC3CC(CC(C3)C1)C2 ZINC001140803112 1131926598 /nfs/dbraw/zinc/92/65/98/1131926598.db2.gz KZEDASWUPUIGPP-UHFFFAOYSA-N 2 1 295.430 3.964 20 0 CHADMP C[N@@H+](CCc1ccccc1Cl)Cc1c[nH]c2ccncc12 ZINC001140807438 1131927689 /nfs/dbraw/zinc/92/76/89/1131927689.db2.gz ZIVFPDZEOVWLCR-UHFFFAOYSA-N 2 1 299.805 3.891 20 0 CHADMP C[N@H+](CCc1ccccc1Cl)Cc1cnc2cc[nH]cc1-2 ZINC001140807438 1131927692 /nfs/dbraw/zinc/92/76/92/1131927692.db2.gz ZIVFPDZEOVWLCR-UHFFFAOYSA-N 2 1 299.805 3.891 20 0 CHADMP C[N@H+](CCc1ccccc1Cl)Cc1c[nH]c2cc[nH+]cc12 ZINC001140807438 1131927701 /nfs/dbraw/zinc/92/77/01/1131927701.db2.gz ZIVFPDZEOVWLCR-UHFFFAOYSA-N 2 1 299.805 3.891 20 0 CHADMP C[N@@H+](CCc1ccccc1Cl)Cc1c[nH]c2cc[nH+]cc12 ZINC001140807438 1131927707 /nfs/dbraw/zinc/92/77/07/1131927707.db2.gz ZIVFPDZEOVWLCR-UHFFFAOYSA-N 2 1 299.805 3.891 20 0 CHADMP CCC(CC)[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000037107680 1131996708 /nfs/dbraw/zinc/99/67/08/1131996708.db2.gz CYFHYWLLOLRWJL-GOSISDBHSA-N 2 1 274.452 3.848 20 0 CHADMP C[N@H+](Cc1cccc(C(C)(C)C)c1)C1CC[NH+](C)CC1 ZINC001141102511 1132014932 /nfs/dbraw/zinc/01/49/32/1132014932.db2.gz CWYJRXBGQZEBCA-UHFFFAOYSA-N 2 1 274.452 3.510 20 0 CHADMP C[N@@H+](Cc1cccc(C(C)(C)C)c1)C1CC[NH+](C)CC1 ZINC001141102511 1132014939 /nfs/dbraw/zinc/01/49/39/1132014939.db2.gz CWYJRXBGQZEBCA-UHFFFAOYSA-N 2 1 274.452 3.510 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206624661 1132021626 /nfs/dbraw/zinc/02/16/26/1132021626.db2.gz YMQWSFOTYASJFJ-INIZCTEOSA-N 2 1 282.431 3.709 20 0 CHADMP CC/C=C/C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716693639 1132027865 /nfs/dbraw/zinc/02/78/65/1132027865.db2.gz PKCXEMACMXKXRN-UHJLCXOYSA-N 2 1 284.447 3.595 20 0 CHADMP C[NH+]1C(C)(C)CC([NH+]2CCC3(CCC3)CC2)CC1(C)C ZINC001171630750 1132062222 /nfs/dbraw/zinc/06/22/22/1132062222.db2.gz AWPSDRVRERCDLT-UHFFFAOYSA-N 2 1 278.484 3.904 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)nc1 ZINC001171623181 1132066550 /nfs/dbraw/zinc/06/65/50/1132066550.db2.gz NNEBSRGQBXRQFT-AWEZNQCLSA-N 2 1 289.467 3.692 20 0 CHADMP Cc1ccc(CC[C@@H](C)[N@@H+](C)C2CCC([NH3+])CC2)cc1 ZINC001171659954 1132070102 /nfs/dbraw/zinc/07/01/02/1132070102.db2.gz HJJYKASJKMZGMF-FAEJEUNOSA-N 2 1 274.452 3.518 20 0 CHADMP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)cc1 ZINC001171660878 1132071122 /nfs/dbraw/zinc/07/11/22/1132071122.db2.gz RMNKFZPDTRYBIZ-WDSOQIARSA-N 2 1 288.479 3.779 20 0 CHADMP CC[N@@H+](C)C1CC[NH+]([C@H](C)CCc2ccc(C)cc2)CC1 ZINC001171682822 1132077606 /nfs/dbraw/zinc/07/76/06/1132077606.db2.gz XDXMMCMZGLRYKO-QGZVFWFLSA-N 2 1 288.479 3.732 20 0 CHADMP CC1(C)C[C@@H]([NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171976218 1132117146 /nfs/dbraw/zinc/11/71/46/1132117146.db2.gz JJQCQBNXBROMKK-KRWDZBQOSA-N 2 1 272.436 3.525 20 0 CHADMP CC1(C)C[C@@H]([NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171976218 1132117150 /nfs/dbraw/zinc/11/71/50/1132117150.db2.gz JJQCQBNXBROMKK-KRWDZBQOSA-N 2 1 272.436 3.525 20 0 CHADMP C[C@@H]1CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976144 1132118270 /nfs/dbraw/zinc/11/82/70/1132118270.db2.gz INRFGAHXRJFQOA-SJLPKXTDSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976144 1132118273 /nfs/dbraw/zinc/11/82/73/1132118273.db2.gz INRFGAHXRJFQOA-SJLPKXTDSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976144 1132118277 /nfs/dbraw/zinc/11/82/77/1132118277.db2.gz INRFGAHXRJFQOA-SJLPKXTDSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976144 1132118280 /nfs/dbraw/zinc/11/82/80/1132118280.db2.gz INRFGAHXRJFQOA-SJLPKXTDSA-N 2 1 286.463 3.771 20 0 CHADMP CC1(C)C[C@H]([NH+]2CCC3(CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171981862 1132119696 /nfs/dbraw/zinc/11/96/96/1132119696.db2.gz ODLOARNCCHGNKB-GOSISDBHSA-N 2 1 298.474 3.916 20 0 CHADMP CC1(C)C[C@H]([N@@H+]2CCC3(CC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171981862 1132119699 /nfs/dbraw/zinc/11/96/99/1132119699.db2.gz ODLOARNCCHGNKB-GOSISDBHSA-N 2 1 298.474 3.916 20 0 CHADMP CC1(C)C[C@H]([N@H+]2CCC3(CC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171981862 1132119701 /nfs/dbraw/zinc/11/97/01/1132119701.db2.gz ODLOARNCCHGNKB-GOSISDBHSA-N 2 1 298.474 3.916 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206154509 1132121194 /nfs/dbraw/zinc/12/11/94/1132121194.db2.gz JOPLKRYSZGHPQG-JYJNAYRXSA-N 2 1 270.436 3.520 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206154509 1132121197 /nfs/dbraw/zinc/12/11/97/1132121197.db2.gz JOPLKRYSZGHPQG-JYJNAYRXSA-N 2 1 270.436 3.520 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]CCC2CC2)C3)cc1 ZINC001172066561 1132124789 /nfs/dbraw/zinc/12/47/89/1132124789.db2.gz ZOGZMXPLMVYKKF-OWZKRDHZSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@@H]([NH3+])c1ccc2c(ccn2[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172100959 1132125135 /nfs/dbraw/zinc/12/51/35/1132125135.db2.gz VDJQXJGWCGDXLW-NKGKWGDASA-N 2 1 297.446 3.849 20 0 CHADMP CC[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172063851 1132125145 /nfs/dbraw/zinc/12/51/45/1132125145.db2.gz DENPZAOPKQIRHQ-DSLXNQLJSA-N 2 1 286.463 3.960 20 0 CHADMP C[C@@H](CCc1ccccc1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172099796 1132125246 /nfs/dbraw/zinc/12/52/46/1132125246.db2.gz KKBUIWSFUPFOJH-KANFNMMFSA-N 2 1 286.463 3.613 20 0 CHADMP C[C@@H](CCc1ccccc1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099796 1132125248 /nfs/dbraw/zinc/12/52/48/1132125248.db2.gz KKBUIWSFUPFOJH-KANFNMMFSA-N 2 1 286.463 3.613 20 0 CHADMP CC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172069790 1132126006 /nfs/dbraw/zinc/12/60/06/1132126006.db2.gz XIAZICMOCMAZTH-NNZMDNLPSA-N 2 1 284.447 3.714 20 0 CHADMP CC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172069790 1132126010 /nfs/dbraw/zinc/12/60/10/1132126010.db2.gz XIAZICMOCMAZTH-NNZMDNLPSA-N 2 1 284.447 3.714 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc3ccccc31)C2 ZINC001172100097 1132126194 /nfs/dbraw/zinc/12/61/94/1132126194.db2.gz MUZCWVNFTOBDCM-REPLKXPHSA-N 2 1 294.442 3.945 20 0 CHADMP C[C@H]([NH3+])c1ccc2c(ccn2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172100961 1132126363 /nfs/dbraw/zinc/12/63/63/1132126363.db2.gz VDJQXJGWCGDXLW-VIBAHUMZSA-N 2 1 297.446 3.849 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CC[C@H](F)C3)CC1)C2 ZINC001172129045 1132127185 /nfs/dbraw/zinc/12/71/85/1132127185.db2.gz VUTYLZNIYAFSHU-MWDXBVQZSA-N 2 1 294.458 3.606 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CC[C@H](F)C3)CC1)C2 ZINC001172129045 1132127190 /nfs/dbraw/zinc/12/71/90/1132127190.db2.gz VUTYLZNIYAFSHU-MWDXBVQZSA-N 2 1 294.458 3.606 20 0 CHADMP C[N@H+]([C@@H]1CCc2ccccc21)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172133601 1132127494 /nfs/dbraw/zinc/12/74/94/1132127494.db2.gz TZWRLXRMGVUOTB-VUHPKUFZSA-N 2 1 284.447 3.621 20 0 CHADMP C[N@@H+]([C@@H]1CCc2ccccc21)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172133601 1132127495 /nfs/dbraw/zinc/12/74/95/1132127495.db2.gz TZWRLXRMGVUOTB-VUHPKUFZSA-N 2 1 284.447 3.621 20 0 CHADMP C[NH+]([C@@H]1CCc2ccccc21)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172133601 1132127500 /nfs/dbraw/zinc/12/75/00/1132127500.db2.gz TZWRLXRMGVUOTB-VUHPKUFZSA-N 2 1 284.447 3.621 20 0 CHADMP C[NH+]([C@@H]1CCc2ccccc21)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172133601 1132127502 /nfs/dbraw/zinc/12/75/02/1132127502.db2.gz TZWRLXRMGVUOTB-VUHPKUFZSA-N 2 1 284.447 3.621 20 0 CHADMP CCC(CC)[N@H+](CC)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129463 1132127512 /nfs/dbraw/zinc/12/75/12/1132127512.db2.gz ZXRGCYUQSKVHMD-MUJYYYPQSA-N 2 1 252.446 3.512 20 0 CHADMP CCC(CC)[N@@H+](CC)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129463 1132127515 /nfs/dbraw/zinc/12/75/15/1132127515.db2.gz ZXRGCYUQSKVHMD-MUJYYYPQSA-N 2 1 252.446 3.512 20 0 CHADMP CCC(CC)[NH+](CC)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172129463 1132127520 /nfs/dbraw/zinc/12/75/20/1132127520.db2.gz ZXRGCYUQSKVHMD-MUJYYYPQSA-N 2 1 252.446 3.512 20 0 CHADMP CCC(CC)[NH+](CC)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172129463 1132127521 /nfs/dbraw/zinc/12/75/21/1132127521.db2.gz ZXRGCYUQSKVHMD-MUJYYYPQSA-N 2 1 252.446 3.512 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1Cc3ccccc3C(C)(C)C1)C2 ZINC001172128849 1132127958 /nfs/dbraw/zinc/12/79/58/1132127958.db2.gz UWDYDWYBPLPDTB-PIIMJCKOSA-N 2 1 298.474 3.795 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1Cc3ccccc3C(C)(C)C1)C2 ZINC001172128849 1132127961 /nfs/dbraw/zinc/12/79/61/1132127961.db2.gz UWDYDWYBPLPDTB-PIIMJCKOSA-N 2 1 298.474 3.795 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1Cc3ccccc3C(C)(C)C1)C2 ZINC001172128849 1132127965 /nfs/dbraw/zinc/12/79/65/1132127965.db2.gz UWDYDWYBPLPDTB-PIIMJCKOSA-N 2 1 298.474 3.795 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(C3CC3)c1)C2 ZINC001172107787 1132128950 /nfs/dbraw/zinc/12/89/50/1132128950.db2.gz CGPJBUIZAJUDRR-LDLYASANSA-N 2 1 284.447 3.669 20 0 CHADMP CCC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCCCC1 ZINC001172107136 1132129171 /nfs/dbraw/zinc/12/91/71/1132129171.db2.gz SPBSVXHJRMNDLJ-MUJYYYPQSA-N 2 1 264.457 3.704 20 0 CHADMP CCC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCCCC1 ZINC001172107136 1132129173 /nfs/dbraw/zinc/12/91/73/1132129173.db2.gz SPBSVXHJRMNDLJ-MUJYYYPQSA-N 2 1 264.457 3.704 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C13CC4CC(CC(C4)C1)C3)C2 ZINC001172102767 1132130452 /nfs/dbraw/zinc/13/04/52/1132130452.db2.gz OWGGKZNOBSIBRY-HQRPEDAJSA-N 2 1 288.479 3.560 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C13CC4CC(CC(C4)C1)C3)C2 ZINC001172102767 1132130458 /nfs/dbraw/zinc/13/04/58/1132130458.db2.gz OWGGKZNOBSIBRY-HQRPEDAJSA-N 2 1 288.479 3.560 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172107376 1132130829 /nfs/dbraw/zinc/13/08/29/1132130829.db2.gz WHGFSTCPJNZJOM-BMFAXAFESA-N 2 1 284.447 3.587 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172107376 1132130832 /nfs/dbraw/zinc/13/08/32/1132130832.db2.gz WHGFSTCPJNZJOM-BMFAXAFESA-N 2 1 284.447 3.587 20 0 CHADMP CCC[N@H+]([C@H](C)CC)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172114220 1132131590 /nfs/dbraw/zinc/13/15/90/1132131590.db2.gz PKJSXDJKWYWMQE-LVQVYYBASA-N 2 1 252.446 3.512 20 0 CHADMP CCC[N@@H+]([C@H](C)CC)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172114220 1132131596 /nfs/dbraw/zinc/13/15/96/1132131596.db2.gz PKJSXDJKWYWMQE-LVQVYYBASA-N 2 1 252.446 3.512 20 0 CHADMP C[C@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)Cc2ccccc21 ZINC001172114259 1132132222 /nfs/dbraw/zinc/13/22/22/1132132222.db2.gz PPDNOSJCARMJQA-OWLYRPNTSA-N 2 1 284.447 3.621 20 0 CHADMP C[C@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)Cc2ccccc21 ZINC001172114259 1132132224 /nfs/dbraw/zinc/13/22/24/1132132224.db2.gz PPDNOSJCARMJQA-OWLYRPNTSA-N 2 1 284.447 3.621 20 0 CHADMP C[C@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)Cc2ccccc21 ZINC001172114259 1132132228 /nfs/dbraw/zinc/13/22/28/1132132228.db2.gz PPDNOSJCARMJQA-OWLYRPNTSA-N 2 1 284.447 3.621 20 0 CHADMP CCC[N@H+]([C@H](C)CC)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172114222 1132132999 /nfs/dbraw/zinc/13/29/99/1132132999.db2.gz PKJSXDJKWYWMQE-WCVJEAGWSA-N 2 1 252.446 3.512 20 0 CHADMP CCC[N@@H+]([C@H](C)CC)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172114222 1132133002 /nfs/dbraw/zinc/13/30/02/1132133002.db2.gz PKJSXDJKWYWMQE-WCVJEAGWSA-N 2 1 252.446 3.512 20 0 CHADMP CCC[NH+]([C@H](C)CC)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172114222 1132133006 /nfs/dbraw/zinc/13/30/06/1132133006.db2.gz PKJSXDJKWYWMQE-WCVJEAGWSA-N 2 1 252.446 3.512 20 0 CHADMP CCC[NH+]([C@H](C)CC)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172114222 1132133010 /nfs/dbraw/zinc/13/30/10/1132133010.db2.gz PKJSXDJKWYWMQE-WCVJEAGWSA-N 2 1 252.446 3.512 20 0 CHADMP C[C@@H](CC1CCCCC1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172112928 1132134165 /nfs/dbraw/zinc/13/41/65/1132134165.db2.gz AWYZWVUKNYTGLT-LEUOFYLZSA-N 2 1 278.484 3.950 20 0 CHADMP C[C@@H](CC1CCCCC1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112928 1132134169 /nfs/dbraw/zinc/13/41/69/1132134169.db2.gz AWYZWVUKNYTGLT-LEUOFYLZSA-N 2 1 278.484 3.950 20 0 CHADMP CC[N@@H+](Cc1ccccc1F)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120236 1132134319 /nfs/dbraw/zinc/13/43/19/1132134319.db2.gz BERKIGIGUZQOSK-FVQHAEBGSA-N 2 1 290.426 3.663 20 0 CHADMP CC[NH+](Cc1ccccc1F)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172120236 1132134323 /nfs/dbraw/zinc/13/43/23/1132134323.db2.gz BERKIGIGUZQOSK-FVQHAEBGSA-N 2 1 290.426 3.663 20 0 CHADMP CC[NH+](Cc1ccccc1F)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172120236 1132134325 /nfs/dbraw/zinc/13/43/25/1132134325.db2.gz BERKIGIGUZQOSK-FVQHAEBGSA-N 2 1 290.426 3.663 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCCCCCC1)C2 ZINC001172122424 1132135051 /nfs/dbraw/zinc/13/50/51/1132135051.db2.gz AZVXVKWILCJUJC-FVQHAEBGSA-N 2 1 264.457 3.658 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCCCCCC1)C2 ZINC001172122424 1132135056 /nfs/dbraw/zinc/13/50/56/1132135056.db2.gz AZVXVKWILCJUJC-FVQHAEBGSA-N 2 1 264.457 3.658 20 0 CHADMP CC[C@@H](C)OCC[C@@H](C)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001172315213 1132155897 /nfs/dbraw/zinc/15/58/97/1132155897.db2.gz GFSZWDPFJGCECY-HZPDHXFCSA-N 2 1 284.488 3.564 20 0 CHADMP CC[C@@H](C)OCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001172341378 1132178119 /nfs/dbraw/zinc/17/81/19/1132178119.db2.gz ZFWHDEOXZYFMRF-BRWVUGGUSA-N 2 1 296.499 3.577 20 0 CHADMP CC[C@@H](C)OCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001172341378 1132178125 /nfs/dbraw/zinc/17/81/25/1132178125.db2.gz ZFWHDEOXZYFMRF-BRWVUGGUSA-N 2 1 296.499 3.577 20 0 CHADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001172358140 1132187028 /nfs/dbraw/zinc/18/70/28/1132187028.db2.gz DONTXSRYFVDXGB-OWCLPIDISA-N 2 1 254.462 3.523 20 0 CHADMP CC[C@H](CC(C)C)[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001172402624 1132195942 /nfs/dbraw/zinc/19/59/42/1132195942.db2.gz TUCVGLJCTMCDBT-ARFHVFGLSA-N 2 1 254.462 3.520 20 0 CHADMP CCOCC[C@H](C)[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172415154 1132201636 /nfs/dbraw/zinc/20/16/36/1132201636.db2.gz WNHLAWGFLJEBIK-BQFCYCMXSA-N 2 1 296.499 3.706 20 0 CHADMP CCCCCC[C@H](CCC)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001172384086 1132210084 /nfs/dbraw/zinc/21/00/84/1132210084.db2.gz RYGXBCMGHNOABS-INIZCTEOSA-N 2 1 277.456 3.880 20 0 CHADMP CCCCCC[C@H](CCC)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001172384086 1132210087 /nfs/dbraw/zinc/21/00/87/1132210087.db2.gz RYGXBCMGHNOABS-INIZCTEOSA-N 2 1 277.456 3.880 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001172816721 1132316961 /nfs/dbraw/zinc/31/69/61/1132316961.db2.gz MIXLYRWBYWQUKT-UHFFFAOYSA-N 2 1 297.446 3.583 20 0 CHADMP CC[NH+](CC)C1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001173108253 1132392776 /nfs/dbraw/zinc/39/27/76/1132392776.db2.gz HRAXPQZZQLJLKG-UHFFFAOYSA-N 2 1 292.442 3.911 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H]3CCC[C@H]32)CC1 ZINC001173114491 1132393227 /nfs/dbraw/zinc/39/32/27/1132393227.db2.gz MHDVLAWACPVRDC-AQEOSJORSA-N 2 1 278.484 3.904 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H]3CCC[C@@H]32)CC1 ZINC001173114493 1132393250 /nfs/dbraw/zinc/39/32/50/1132393250.db2.gz MHDVLAWACPVRDC-CPFNUKBASA-N 2 1 278.484 3.904 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H]3CCC[C@H]32)CC1 ZINC001173114497 1132393506 /nfs/dbraw/zinc/39/35/06/1132393506.db2.gz MHDVLAWACPVRDC-FCCDEINASA-N 2 1 278.484 3.904 20 0 CHADMP CC[NH+](CC)C1CCC([N@@H+](C)C[C@@H]2CC2(C)C)CC1 ZINC001173113475 1132393887 /nfs/dbraw/zinc/39/38/87/1132393887.db2.gz QFXIANCVCZAWHK-FHERZECASA-N 2 1 266.473 3.617 20 0 CHADMP CC[NH+](CC)C1CCC([N@@H+](C)Cc2ccsc2)CC1 ZINC001173114333 1132394786 /nfs/dbraw/zinc/39/47/86/1132394786.db2.gz GVSOTGDIINEUFJ-UHFFFAOYSA-N 2 1 280.481 3.833 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2C[C@@H](C)CC23CC3)CC1 ZINC001173113430 1132394897 /nfs/dbraw/zinc/39/48/97/1132394897.db2.gz QBPUBOTXJAGAPI-FHERZECASA-N 2 1 264.457 3.514 20 0 CHADMP C[N@@H+](C/C=C/c1ccccc1)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232016164 1132411411 /nfs/dbraw/zinc/41/14/11/1132411411.db2.gz SKDSVAWHQAMRGG-VMPITWQZSA-N 2 1 277.371 3.708 20 0 CHADMP CCc1ccc(C[C@@H](C)n2c[nH+]cc2C2CC[NH2+]CC2)cc1 ZINC001173249152 1132420186 /nfs/dbraw/zinc/42/01/86/1132420186.db2.gz XZSJVGVFATWOIA-OAHLLOKOSA-N 2 1 297.446 3.716 20 0 CHADMP CCCC[C@@H](CC(C)C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001173251007 1132421311 /nfs/dbraw/zinc/42/13/11/1132421311.db2.gz XLZDXFOZDUWJTC-IRXDYDNUSA-N 2 1 268.489 3.913 20 0 CHADMP CCc1ccc(C[C@@H](C)[N@@H+](C)C2CC[NH+](CC)CC2)cc1 ZINC001173242781 1132443286 /nfs/dbraw/zinc/44/32/86/1132443286.db2.gz IGXJKSZBHKYPLL-MRXNPFEDSA-N 2 1 288.479 3.596 20 0 CHADMP CCc1ccc(C[C@@H](C)[N@H+](C)C2CC[NH+](CC)CC2)cc1 ZINC001173242781 1132443290 /nfs/dbraw/zinc/44/32/90/1132443290.db2.gz IGXJKSZBHKYPLL-MRXNPFEDSA-N 2 1 288.479 3.596 20 0 CHADMP CC[C@@H]1CC[C@H]([NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)C1 ZINC001173276532 1132451855 /nfs/dbraw/zinc/45/18/55/1132451855.db2.gz IRLDXYIZCBIUIP-CVEARBPZSA-N 2 1 287.451 3.508 20 0 CHADMP CC[C@H]1CC[C@@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001173283408 1132455355 /nfs/dbraw/zinc/45/53/55/1132455355.db2.gz VCYZYWBIQYWTDV-FUHWJXTLSA-N 2 1 290.495 3.906 20 0 CHADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCC3(CCCCC3)C2)CC1 ZINC001173349670 1132474529 /nfs/dbraw/zinc/47/45/29/1132474529.db2.gz SIXUUBRHCWCCBP-SJORKVTESA-N 2 1 278.484 3.953 20 0 CHADMP CCc1oc2ccccc2c1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843055810 1132493894 /nfs/dbraw/zinc/49/38/94/1132493894.db2.gz PANWNXSLYLLNQC-UHFFFAOYSA-N 2 1 286.419 3.697 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C2CC2)cc1 ZINC001232987374 1132557905 /nfs/dbraw/zinc/55/79/05/1132557905.db2.gz UWUWAZNHEQFELT-UHFFFAOYSA-N 2 1 274.452 3.728 20 0 CHADMP Cc1[nH+]c2c(Nc3ccccc3C[NH+](C)C)cccn2c1C ZINC001173928665 1132641491 /nfs/dbraw/zinc/64/14/91/1132641491.db2.gz JQERCBHIZQBPCM-UHFFFAOYSA-N 2 1 294.402 3.756 20 0 CHADMP Cc1ccc2cc[nH+]c(NCC(C)(C)C[NH+](C)C)c2c1 ZINC001157942445 1132756037 /nfs/dbraw/zinc/75/60/37/1132756037.db2.gz ZJYWFNORBRBQAC-UHFFFAOYSA-N 2 1 271.408 3.543 20 0 CHADMP CC1(C)C[C@@H](Nc2cc(C3CC3)cc[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001158263369 1132766989 /nfs/dbraw/zinc/76/69/89/1132766989.db2.gz BXNXMNOQQLQRKX-CRAIPNDOSA-N 2 1 287.451 3.915 20 0 CHADMP c1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC001203309078 1133314063 /nfs/dbraw/zinc/31/40/63/1133314063.db2.gz KPCILIYQZOKKBE-SFHVURJKSA-N 2 1 272.436 3.527 20 0 CHADMP c1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC001203309077 1133314195 /nfs/dbraw/zinc/31/41/95/1133314195.db2.gz KPCILIYQZOKKBE-GOSISDBHSA-N 2 1 272.436 3.527 20 0 CHADMP C([NH2+]CC1CCCCC1)[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001203409114 1133323512 /nfs/dbraw/zinc/32/35/12/1133323512.db2.gz UAOYVRGDEFFNRQ-GOSISDBHSA-N 2 1 278.484 3.953 20 0 CHADMP C([NH2+]CC1CCCCC1)[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001203409114 1133323517 /nfs/dbraw/zinc/32/35/17/1133323517.db2.gz UAOYVRGDEFFNRQ-GOSISDBHSA-N 2 1 278.484 3.953 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccsc1 ZINC001204040016 1133402453 /nfs/dbraw/zinc/40/24/53/1133402453.db2.gz IOMXALPRNHOJRI-HOTGVXAUSA-N 2 1 278.465 3.587 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC001204040016 1133402457 /nfs/dbraw/zinc/40/24/57/1133402457.db2.gz IOMXALPRNHOJRI-HOTGVXAUSA-N 2 1 278.465 3.587 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccsc1 ZINC001204040016 1133402459 /nfs/dbraw/zinc/40/24/59/1133402459.db2.gz IOMXALPRNHOJRI-HOTGVXAUSA-N 2 1 278.465 3.587 20 0 CHADMP C[N@H+](Cc1ccsc1)C1CC[NH+](C2CCCCC2)CC1 ZINC001204043926 1133404044 /nfs/dbraw/zinc/40/40/44/1133404044.db2.gz BLXUAXRWLZQUAE-UHFFFAOYSA-N 2 1 292.492 3.977 20 0 CHADMP C[N@@H+](Cc1ccsc1)C1CC[NH+](C2CCCCC2)CC1 ZINC001204043926 1133404047 /nfs/dbraw/zinc/40/40/47/1133404047.db2.gz BLXUAXRWLZQUAE-UHFFFAOYSA-N 2 1 292.492 3.977 20 0 CHADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC001204133947 1133408959 /nfs/dbraw/zinc/40/89/59/1133408959.db2.gz KKJYNKNCDFCXOP-UHFFFAOYSA-N 2 1 282.431 3.737 20 0 CHADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC001204133947 1133408962 /nfs/dbraw/zinc/40/89/62/1133408962.db2.gz KKJYNKNCDFCXOP-UHFFFAOYSA-N 2 1 282.431 3.737 20 0 CHADMP CCc1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cc1 ZINC001204176274 1133415550 /nfs/dbraw/zinc/41/55/50/1133415550.db2.gz LVNMJDZUTBVLQJ-UHFFFAOYSA-N 2 1 288.479 3.801 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(C)cc(C)c2)CC1 ZINC001204526377 1133458044 /nfs/dbraw/zinc/45/80/44/1133458044.db2.gz FOYAYXQNMZWSOC-UHFFFAOYSA-N 2 1 288.479 4.000 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC001204549960 1133461680 /nfs/dbraw/zinc/46/16/80/1133461680.db2.gz DHVHGCWIWLGDPA-KZNAEPCWSA-N 2 1 280.500 3.867 20 0 CHADMP CC(C)c1ccccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204742761 1133480688 /nfs/dbraw/zinc/48/06/88/1133480688.db2.gz TWLYYQUXVHAFGK-UHFFFAOYSA-N 2 1 286.463 3.776 20 0 CHADMP Cc1cccc([C@H]2CCC[N@H+]2CC2(C)CC[NH2+]CC2)c1 ZINC001204847437 1133491059 /nfs/dbraw/zinc/49/10/59/1133491059.db2.gz ASBZDDSUKYYQOB-QGZVFWFLSA-N 2 1 272.436 3.522 20 0 CHADMP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1-c1ccccc1 ZINC001204925540 1133501538 /nfs/dbraw/zinc/50/15/38/1133501538.db2.gz UVNXMCWBNUZTHW-GOSISDBHSA-N 2 1 280.415 3.667 20 0 CHADMP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccccc1-c1ccccc1 ZINC001204925540 1133501542 /nfs/dbraw/zinc/50/15/42/1133501542.db2.gz UVNXMCWBNUZTHW-GOSISDBHSA-N 2 1 280.415 3.667 20 0 CHADMP C[C@]1([NH3+])CCC[N@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001204939215 1133504794 /nfs/dbraw/zinc/50/47/94/1133504794.db2.gz PISVEIDXPPYANT-IBGZPJMESA-N 2 1 280.415 3.667 20 0 CHADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001204939215 1133504799 /nfs/dbraw/zinc/50/47/99/1133504799.db2.gz PISVEIDXPPYANT-IBGZPJMESA-N 2 1 280.415 3.667 20 0 CHADMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001204940674 1133504985 /nfs/dbraw/zinc/50/49/85/1133504985.db2.gz ZXKPGGMAQITOHV-LJQANCHMSA-N 2 1 298.405 3.806 20 0 CHADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001204940674 1133504987 /nfs/dbraw/zinc/50/49/87/1133504987.db2.gz ZXKPGGMAQITOHV-LJQANCHMSA-N 2 1 298.405 3.806 20 0 CHADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H](C)c2cccc3ccccc32)C1 ZINC001205002081 1133516646 /nfs/dbraw/zinc/51/66/46/1133516646.db2.gz YXFPUYVITYWACA-SJORKVTESA-N 2 1 296.458 3.875 20 0 CHADMP C[C@H]1CC[C@@H](CN)[N@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001205068430 1133522972 /nfs/dbraw/zinc/52/29/72/1133522972.db2.gz INXICZICVWAEQZ-LIRRHRJNSA-N 2 1 298.405 3.804 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001205068430 1133522977 /nfs/dbraw/zinc/52/29/77/1133522977.db2.gz INXICZICVWAEQZ-LIRRHRJNSA-N 2 1 298.405 3.804 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001205068430 1133522981 /nfs/dbraw/zinc/52/29/81/1133522981.db2.gz INXICZICVWAEQZ-LIRRHRJNSA-N 2 1 298.405 3.804 20 0 CHADMP [NH3+][C@H]1CCC[N@@H+](CC(c2ccccc2)c2ccccc2)CC1 ZINC001205093587 1133527406 /nfs/dbraw/zinc/52/74/06/1133527406.db2.gz BSCZXIYKVXFGGA-IBGZPJMESA-N 2 1 294.442 3.632 20 0 CHADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2)CC1 ZINC001205110609 1133531322 /nfs/dbraw/zinc/53/13/22/1133531322.db2.gz XATGPCURTJWTDY-LJQANCHMSA-N 2 1 280.415 3.667 20 0 CHADMP C[C@@]1([NH3+])CCC[N@@H+](CCCCCc2ccccc2)CC1 ZINC001205257937 1133551525 /nfs/dbraw/zinc/55/15/25/1133551525.db2.gz YUPRXNNKUUWPTP-GOSISDBHSA-N 2 1 274.452 3.603 20 0 CHADMP CC(C)c1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1 ZINC001205265335 1133551800 /nfs/dbraw/zinc/55/18/00/1133551800.db2.gz PYKXZKMPEKUDSU-KRWDZBQOSA-N 2 1 260.425 3.513 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205288855 1133554723 /nfs/dbraw/zinc/55/47/23/1133554723.db2.gz PBFFJHKWCQLCLX-INIZCTEOSA-N 2 1 280.843 3.660 20 0 CHADMP COc1cc2ccccc2cc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205288769 1133554936 /nfs/dbraw/zinc/55/49/36/1133554936.db2.gz OGNGTSYVRRCCRY-IBGZPJMESA-N 2 1 298.430 3.552 20 0 CHADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1cccc(-c2ccc(F)cc2)c1 ZINC001205326291 1133561616 /nfs/dbraw/zinc/56/16/16/1133561616.db2.gz XXPYSNUYAGSUQQ-HNNXBMFYSA-N 2 1 298.405 3.677 20 0 CHADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1cccc(-c2ccc(F)cc2)c1 ZINC001205326291 1133561619 /nfs/dbraw/zinc/56/16/19/1133561619.db2.gz XXPYSNUYAGSUQQ-HNNXBMFYSA-N 2 1 298.405 3.677 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001205535158 1133586350 /nfs/dbraw/zinc/58/63/50/1133586350.db2.gz GDUCRANJZYJCGX-IAGOWNOFSA-N 2 1 266.473 3.621 20 0 CHADMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205570347 1133589866 /nfs/dbraw/zinc/58/98/66/1133589866.db2.gz IZFKMVAWNLDIBA-SFHVURJKSA-N 2 1 292.442 3.637 20 0 CHADMP Cc1cc(F)cc(Cl)c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205652103 1133599402 /nfs/dbraw/zinc/59/94/02/1133599402.db2.gz ODWZMGNCKQICOH-DGCLKSJQSA-N 2 1 298.833 3.594 20 0 CHADMP Cc1c(Cl)ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1F ZINC001205651731 1133599774 /nfs/dbraw/zinc/59/97/74/1133599774.db2.gz IREUYLWGJYZCIL-WCQYABFASA-N 2 1 298.833 3.594 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(C)c1Cl ZINC001205665648 1133599914 /nfs/dbraw/zinc/59/99/14/1133599914.db2.gz SZAPOBPRLIVRCI-SWLSCSKDSA-N 2 1 294.870 3.764 20 0 CHADMP Cc1c(Cl)ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1F ZINC001205651730 1133600425 /nfs/dbraw/zinc/60/04/25/1133600425.db2.gz IREUYLWGJYZCIL-DGCLKSJQSA-N 2 1 298.833 3.594 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@H]1CC2CCC1CC2 ZINC001205716844 1133606409 /nfs/dbraw/zinc/60/64/09/1133606409.db2.gz MKTHWFCGORQVSY-ZTJXHEDMSA-N 2 1 278.484 3.665 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@H]1CC2CCC1CC2 ZINC001205716844 1133606413 /nfs/dbraw/zinc/60/64/13/1133606413.db2.gz MKTHWFCGORQVSY-ZTJXHEDMSA-N 2 1 278.484 3.665 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205916203 1133629937 /nfs/dbraw/zinc/62/99/37/1133629937.db2.gz STFGZEZUCLVZOF-KBPBESRZSA-N 2 1 280.843 3.516 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205916204 1133630403 /nfs/dbraw/zinc/63/04/03/1133630403.db2.gz STFGZEZUCLVZOF-KGLIPLIRSA-N 2 1 280.843 3.516 20 0 CHADMP CC(C)C[N@@H+](Cc1ccccc1)C[C@H]([NH3+])Cc1ccccc1 ZINC001205924488 1133630927 /nfs/dbraw/zinc/63/09/27/1133630927.db2.gz UDAGLDHGBRLNQS-HXUWFJFHSA-N 2 1 296.458 3.715 20 0 CHADMP CC(C)C[N@H+](Cc1ccccc1)C[C@H]([NH3+])Cc1ccccc1 ZINC001205924488 1133630929 /nfs/dbraw/zinc/63/09/29/1133630929.db2.gz UDAGLDHGBRLNQS-HXUWFJFHSA-N 2 1 296.458 3.715 20 0 CHADMP CC(C)C[N@@H+](Cc1ccccc1)CC1(C)CC[NH2+]CC1 ZINC001205923151 1133631588 /nfs/dbraw/zinc/63/15/88/1133631588.db2.gz JTNOQZVUSOEWMU-UHFFFAOYSA-N 2 1 274.452 3.534 20 0 CHADMP CCCC[C@@H](C)[NH2+][C@@H](CC(C)C)C[NH+]1CCCC1 ZINC001205923720 1133631669 /nfs/dbraw/zinc/63/16/69/1133631669.db2.gz DMNMANHUJHPMMG-CVEARBPZSA-N 2 1 254.462 3.665 20 0 CHADMP C[C@H]1C[N@@H+](Cc2cccc3ccccc32)CCC[C@H]1C[NH3+] ZINC001205992559 1133638697 /nfs/dbraw/zinc/63/86/97/1133638697.db2.gz FHNYUHHJEJTXIR-RDJZCZTQSA-N 2 1 282.431 3.647 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2csc3ccccc23)CCC[C@H]1C[NH3+] ZINC001206003535 1133640358 /nfs/dbraw/zinc/64/03/58/1133640358.db2.gz JBKFTVHAZICFQU-KGLIPLIRSA-N 2 1 288.460 3.708 20 0 CHADMP CSc1cc(C)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC001206035713 1133646109 /nfs/dbraw/zinc/64/61/09/1133646109.db2.gz CUTZWQATRQYHKA-ZBFHGGJFSA-N 2 1 292.492 3.524 20 0 CHADMP C[C@@H]1CC[N@H+](Cc2c3ccccc3[nH]c2C(C)(C)C)C[C@H]1[NH3+] ZINC001206036563 1133646119 /nfs/dbraw/zinc/64/61/19/1133646119.db2.gz LIERYHJHFBXFNJ-CZUORRHYSA-N 2 1 299.462 3.635 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2c3ccccc3[nH]c2C(C)(C)C)C[C@H]1[NH3+] ZINC001206036563 1133646122 /nfs/dbraw/zinc/64/61/22/1133646122.db2.gz LIERYHJHFBXFNJ-CZUORRHYSA-N 2 1 299.462 3.635 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC001206056423 1133650207 /nfs/dbraw/zinc/65/02/07/1133650207.db2.gz REDLZZQQZUSKND-ZJIFWQFVSA-N 2 1 254.462 3.521 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC001206056423 1133650211 /nfs/dbraw/zinc/65/02/11/1133650211.db2.gz REDLZZQQZUSKND-ZJIFWQFVSA-N 2 1 254.462 3.521 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC001206127572 1133660856 /nfs/dbraw/zinc/66/08/56/1133660856.db2.gz ISJSUENRAMPRDG-HOTGVXAUSA-N 2 1 294.458 3.857 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC001206127572 1133660859 /nfs/dbraw/zinc/66/08/59/1133660859.db2.gz ISJSUENRAMPRDG-HOTGVXAUSA-N 2 1 294.458 3.857 20 0 CHADMP CCC1(C)CCC([NH2+]CC[N@@H+]2CCCC2(C)C)CC1 ZINC001206247651 1133675914 /nfs/dbraw/zinc/67/59/14/1133675914.db2.gz LQOMOVWSUPMECT-UHFFFAOYSA-N 2 1 266.473 3.809 20 0 CHADMP CCC1(C)CCC([NH2+]CC[N@H+]2CCCC2(C)C)CC1 ZINC001206247651 1133675918 /nfs/dbraw/zinc/67/59/18/1133675918.db2.gz LQOMOVWSUPMECT-UHFFFAOYSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001206269704 1133680406 /nfs/dbraw/zinc/68/04/06/1133680406.db2.gz SEZDZSQMAKGNSG-OAHLLOKOSA-N 2 1 298.405 3.534 20 0 CHADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001206269704 1133680407 /nfs/dbraw/zinc/68/04/07/1133680407.db2.gz SEZDZSQMAKGNSG-OAHLLOKOSA-N 2 1 298.405 3.534 20 0 CHADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCCc2ccccc2Cl)CC1 ZINC001206296334 1133685446 /nfs/dbraw/zinc/68/54/46/1133685446.db2.gz RBOAKVPQSNICSL-QGZVFWFLSA-N 2 1 294.870 3.724 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc3ccccc3s2)CC1 ZINC001206304916 1133687062 /nfs/dbraw/zinc/68/70/62/1133687062.db2.gz RKEQTAAJQIUTAA-KRWDZBQOSA-N 2 1 288.460 3.852 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)ccc1Cl ZINC001206312096 1133687929 /nfs/dbraw/zinc/68/79/29/1133687929.db2.gz ZZCXAZXNUPWMPU-INIZCTEOSA-N 2 1 280.843 3.599 20 0 CHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(C3CCC3)cc2)CC1 ZINC001206326283 1133689619 /nfs/dbraw/zinc/68/96/19/1133689619.db2.gz MHASMWYHKOJOIU-LJQANCHMSA-N 2 1 286.463 3.905 20 0 CHADMP CCCC[C@H](CC)C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206541914 1133715435 /nfs/dbraw/zinc/71/54/35/1133715435.db2.gz NJFMKVKNCRPADC-HOTGVXAUSA-N 2 1 254.462 3.654 20 0 CHADMP CC(C)[N@@H+](Cc1ccc(Cl)s1)[C@@H]1CCC[NH2+]CC1 ZINC001206581521 1133721889 /nfs/dbraw/zinc/72/18/89/1133721889.db2.gz JWKPALQKZLPKDL-GFCCVEGCSA-N 2 1 286.872 3.754 20 0 CHADMP CC(C)[N@@H+](CCc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]CC1 ZINC001206583450 1133722345 /nfs/dbraw/zinc/72/23/45/1133722345.db2.gz UWDFWOZZDGAKJO-QGZVFWFLSA-N 2 1 294.870 3.735 20 0 CHADMP CC(C)[N@@H+](Cc1cn(C)c2ccccc12)[C@H]1CCC[NH2+]CC1 ZINC001206580599 1133722453 /nfs/dbraw/zinc/72/24/53/1133722453.db2.gz GCDQBVBPZTWTIM-KRWDZBQOSA-N 2 1 299.462 3.531 20 0 CHADMP Cc1[nH]c2ccccc2c1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206584327 1133722516 /nfs/dbraw/zinc/72/25/16/1133722516.db2.gz YJLQSMYIALYBRS-MRXNPFEDSA-N 2 1 299.462 3.829 20 0 CHADMP Cc1ccc2[nH]c(C[N@H+](C(C)C)[C@@H]3CCC[NH2+]CC3)cc2c1 ZINC001206591289 1133722987 /nfs/dbraw/zinc/72/29/87/1133722987.db2.gz QOGXXSYTFXNIBV-GOSISDBHSA-N 2 1 299.462 3.829 20 0 CHADMP CCc1ccccc1C[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206589148 1133723587 /nfs/dbraw/zinc/72/35/87/1133723587.db2.gz GBOSBAGOYVRQQU-SFHVURJKSA-N 2 1 274.452 3.602 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206767893 1133745403 /nfs/dbraw/zinc/74/54/03/1133745403.db2.gz FYFUAASNSFGZHF-GXTWGEPZSA-N 2 1 288.460 3.769 20 0 CHADMP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c2ccccc12 ZINC001206768667 1133745473 /nfs/dbraw/zinc/74/54/73/1133745473.db2.gz LHUYMGFNGGYJLH-HOTGVXAUSA-N 2 1 282.431 3.707 20 0 CHADMP CC(C)CCCC[N@H+]1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC001206799415 1133750050 /nfs/dbraw/zinc/75/00/50/1133750050.db2.gz FKKIMTDRCIHWFP-SJORKVTESA-N 2 1 268.489 3.865 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206810054 1133751022 /nfs/dbraw/zinc/75/10/22/1133751022.db2.gz MXKBPWLGZGGISD-UONOGXRCSA-N 2 1 280.843 3.516 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206811256 1133751110 /nfs/dbraw/zinc/75/11/10/1133751110.db2.gz SOTSDFGEDBCHPZ-UONOGXRCSA-N 2 1 280.843 3.516 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)C[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001207195329 1133778590 /nfs/dbraw/zinc/77/85/90/1133778590.db2.gz FQWHXLKCOJANDG-DOTOQJQBSA-N 2 1 294.870 3.717 20 0 CHADMP C[NH+]1CCC(C[N@H+]2CCCC[C@@H]2c2ccccc2F)CC1 ZINC001207398246 1133797291 /nfs/dbraw/zinc/79/72/91/1133797291.db2.gz BTBYAPLGDRBSSN-GOSISDBHSA-N 2 1 290.426 3.695 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)CCc2ccccc2F)CC1 ZINC001207502881 1133809772 /nfs/dbraw/zinc/80/97/72/1133809772.db2.gz LXGUCBZOPBVLNU-UHFFFAOYSA-N 2 1 292.442 3.565 20 0 CHADMP CC(C)CC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001207724454 1133842585 /nfs/dbraw/zinc/84/25/85/1133842585.db2.gz YHRFEEZALHDJHX-OAHLLOKOSA-N 2 1 292.442 3.987 20 0 CHADMP CC(C)[N@@H+](CC1(c2ccccc2)CC1)C1CCN(C)CC1 ZINC001207840869 1133853864 /nfs/dbraw/zinc/85/38/64/1133853864.db2.gz NSWDQKAXEFJZHM-UHFFFAOYSA-N 2 1 286.463 3.523 20 0 CHADMP C[N@@H+](CC1(C)CC[NH+](C)CC1)C(C)(C)Cc1ccccc1 ZINC001208110845 1133876504 /nfs/dbraw/zinc/87/65/04/1133876504.db2.gz HIMYGUHUZCOIJY-UHFFFAOYSA-N 2 1 288.479 3.671 20 0 CHADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@H]2c2cccs2)CC1 ZINC001208105672 1133877332 /nfs/dbraw/zinc/87/73/32/1133877332.db2.gz APALKBGTQQNGEL-CQSZACIVSA-N 2 1 278.465 3.617 20 0 CHADMP C[NH+](C)CC1(C[N@H+]2CCC3(C2)CCCCC3)CCCC1 ZINC001208189815 1133902092 /nfs/dbraw/zinc/90/20/92/1133902092.db2.gz YULDKGDRMWPMQB-UHFFFAOYSA-N 2 1 278.484 3.765 20 0 CHADMP Cc1cc(C)cc([C@@H]2CCC[NH+]2C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC001208615249 1133919595 /nfs/dbraw/zinc/91/95/95/1133919595.db2.gz HNRUQPWXYYWMPR-MJGOQNOKSA-N 2 1 286.463 3.782 20 0 CHADMP Cc1cc(C)cc([C@@H]2CCC[NH+]2C[C@@H]2CCC[N@H+](C)C2)c1 ZINC001208615249 1133919600 /nfs/dbraw/zinc/91/96/00/1133919600.db2.gz HNRUQPWXYYWMPR-MJGOQNOKSA-N 2 1 286.463 3.782 20 0 CHADMP Cc1cc(C)cc([C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH+](C)C2)c1 ZINC001208615249 1133919605 /nfs/dbraw/zinc/91/96/05/1133919605.db2.gz HNRUQPWXYYWMPR-MJGOQNOKSA-N 2 1 286.463 3.782 20 0 CHADMP Cc1cc(C)cc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC[NH+](C)C2)c1 ZINC001208615249 1133919609 /nfs/dbraw/zinc/91/96/09/1133919609.db2.gz HNRUQPWXYYWMPR-MJGOQNOKSA-N 2 1 286.463 3.782 20 0 CHADMP CCCC[N@@H+](Cc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC001208607853 1133920374 /nfs/dbraw/zinc/92/03/74/1133920374.db2.gz NRUWRLIGXHFKQJ-GOSISDBHSA-N 2 1 274.452 3.631 20 0 CHADMP CCCC[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC001208607853 1133920376 /nfs/dbraw/zinc/92/03/76/1133920376.db2.gz NRUWRLIGXHFKQJ-GOSISDBHSA-N 2 1 274.452 3.631 20 0 CHADMP CCCC[NH+](Cc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC001208607853 1133920379 /nfs/dbraw/zinc/92/03/79/1133920379.db2.gz NRUWRLIGXHFKQJ-GOSISDBHSA-N 2 1 274.452 3.631 20 0 CHADMP CCCC[NH+](Cc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208607853 1133920383 /nfs/dbraw/zinc/92/03/83/1133920383.db2.gz NRUWRLIGXHFKQJ-GOSISDBHSA-N 2 1 274.452 3.631 20 0 CHADMP C[C@H](CC[NH+]1CCC([NH+]2CCC2)CC1)CC(C)(C)C ZINC001208663400 1133924938 /nfs/dbraw/zinc/92/49/38/1133924938.db2.gz JXGNDLQQSVGAEJ-OAHLLOKOSA-N 2 1 266.473 3.619 20 0 CHADMP CC/C=C\CC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001208732821 1133938286 /nfs/dbraw/zinc/93/82/86/1133938286.db2.gz FLEUWSNJMRGNKC-JGAFRWBPSA-N 2 1 298.474 3.797 20 0 CHADMP CC/C=C\CC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001208732821 1133938292 /nfs/dbraw/zinc/93/82/92/1133938292.db2.gz FLEUWSNJMRGNKC-JGAFRWBPSA-N 2 1 298.474 3.797 20 0 CHADMP CC/C=C\CC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001208732821 1133938295 /nfs/dbraw/zinc/93/82/95/1133938295.db2.gz FLEUWSNJMRGNKC-JGAFRWBPSA-N 2 1 298.474 3.797 20 0 CHADMP CC1(C)CCC[N@H+]1C[C@H]1CCCN(Cc2ccccc2)C1 ZINC001208930897 1133963454 /nfs/dbraw/zinc/96/34/54/1133963454.db2.gz FWJZANNWKMMILZ-SFHVURJKSA-N 2 1 286.463 3.773 20 0 CHADMP CC1(C)CCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208930897 1133963456 /nfs/dbraw/zinc/96/34/56/1133963456.db2.gz FWJZANNWKMMILZ-SFHVURJKSA-N 2 1 286.463 3.773 20 0 CHADMP CC1(C)CCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208930897 1133963461 /nfs/dbraw/zinc/96/34/61/1133963461.db2.gz FWJZANNWKMMILZ-SFHVURJKSA-N 2 1 286.463 3.773 20 0 CHADMP CC1(C)CCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208930897 1133963467 /nfs/dbraw/zinc/96/34/67/1133963467.db2.gz FWJZANNWKMMILZ-SFHVURJKSA-N 2 1 286.463 3.773 20 0 CHADMP CC1(C)CCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208930897 1133963472 /nfs/dbraw/zinc/96/34/72/1133963472.db2.gz FWJZANNWKMMILZ-SFHVURJKSA-N 2 1 286.463 3.773 20 0 CHADMP C[C@@H]1CC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC001208950368 1133968158 /nfs/dbraw/zinc/96/81/58/1133968158.db2.gz SNYQSENBYGWFTL-AOIWGVFYSA-N 2 1 286.463 3.629 20 0 CHADMP C[C@@H]1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC001208950368 1133968160 /nfs/dbraw/zinc/96/81/60/1133968160.db2.gz SNYQSENBYGWFTL-AOIWGVFYSA-N 2 1 286.463 3.629 20 0 CHADMP C[C@@H]1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC001208950368 1133968163 /nfs/dbraw/zinc/96/81/63/1133968163.db2.gz SNYQSENBYGWFTL-AOIWGVFYSA-N 2 1 286.463 3.629 20 0 CHADMP CC[C@@H]1c2ccccc2CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC001209452184 1134024444 /nfs/dbraw/zinc/02/44/44/1134024444.db2.gz GTJJMLFHPVWMAP-LJQANCHMSA-N 2 1 286.463 3.872 20 0 CHADMP c1csc(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)c1 ZINC001209449118 1134024721 /nfs/dbraw/zinc/02/47/21/1134024721.db2.gz SFBQZLDTSWGZTJ-UHFFFAOYSA-N 2 1 292.492 3.804 20 0 CHADMP C[C@H]1CC[N@H+](Cc2ccc(-c3ccc(F)cc3)cc2)CC[NH2+]1 ZINC001210475451 1134224427 /nfs/dbraw/zinc/22/44/27/1134224427.db2.gz NRUUGKPMVICEPX-HNNXBMFYSA-N 2 1 298.405 3.677 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)CC[NH2+]1 ZINC001210475451 1134224433 /nfs/dbraw/zinc/22/44/33/1134224433.db2.gz NRUUGKPMVICEPX-HNNXBMFYSA-N 2 1 298.405 3.677 20 0 CHADMP Cc1cn2cc(NC3=CC[C@@H]([NH+]4CCCC4)CC3)ccc2[nH+]1 ZINC001210705090 1134275237 /nfs/dbraw/zinc/27/52/37/1134275237.db2.gz AIORRTYXMAZJBP-QGZVFWFLSA-N 2 1 296.418 3.587 20 0 CHADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000311649059 1135130604 /nfs/dbraw/zinc/13/06/04/1135130604.db2.gz DOAJOQJUNQGHQK-WCXIOVBPSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000311649059 1135130606 /nfs/dbraw/zinc/13/06/06/1135130606.db2.gz DOAJOQJUNQGHQK-WCXIOVBPSA-N 2 1 266.473 3.664 20 0 CHADMP Cc1c(Cl)ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1C ZINC001222153800 1135201233 /nfs/dbraw/zinc/20/12/33/1135201233.db2.gz ACNIOVUNASCKCX-QGZVFWFLSA-N 2 1 292.854 3.532 20 0 CHADMP Cc1c(Cl)ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1C ZINC001222153800 1135201240 /nfs/dbraw/zinc/20/12/40/1135201240.db2.gz ACNIOVUNASCKCX-QGZVFWFLSA-N 2 1 292.854 3.532 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222231642 1135210920 /nfs/dbraw/zinc/21/09/20/1135210920.db2.gz OSWAKPFLMQYDIP-SJORKVTESA-N 2 1 264.457 3.587 20 0 CHADMP c1sc2ccccc2c1C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222243611 1135213488 /nfs/dbraw/zinc/21/34/88/1135213488.db2.gz NINWREFCRUVVBM-KRWDZBQOSA-N 2 1 286.444 3.619 20 0 CHADMP c1sc2ccccc2c1C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222243611 1135213491 /nfs/dbraw/zinc/21/34/91/1135213491.db2.gz NINWREFCRUVVBM-KRWDZBQOSA-N 2 1 286.444 3.619 20 0 CHADMP CCCCc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222249926 1135214871 /nfs/dbraw/zinc/21/48/71/1135214871.db2.gz YADVVSLGJIVQFN-IBGZPJMESA-N 2 1 286.463 3.747 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222249926 1135214874 /nfs/dbraw/zinc/21/48/74/1135214874.db2.gz YADVVSLGJIVQFN-IBGZPJMESA-N 2 1 286.463 3.747 20 0 CHADMP Cc1ccc([C@H](C)CC[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)o1 ZINC001222259053 1135215806 /nfs/dbraw/zinc/21/58/06/1135215806.db2.gz JIFPFNJSCFKBML-QAPCUYQASA-N 2 1 290.451 3.547 20 0 CHADMP Cc1cccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1Cl ZINC001222276462 1135217604 /nfs/dbraw/zinc/21/76/04/1135217604.db2.gz CVJABCIOBNNCCM-QGZVFWFLSA-N 2 1 292.854 3.614 20 0 CHADMP Cc1cccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1Cl ZINC001222276462 1135217609 /nfs/dbraw/zinc/21/76/09/1135217609.db2.gz CVJABCIOBNNCCM-QGZVFWFLSA-N 2 1 292.854 3.614 20 0 CHADMP CCCC[C@@H](CC)C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222310447 1135222752 /nfs/dbraw/zinc/22/27/52/1135222752.db2.gz VQHLDGSDJNCHFE-SJORKVTESA-N 2 1 266.473 3.811 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1Cl ZINC001222315943 1135223734 /nfs/dbraw/zinc/22/37/34/1135223734.db2.gz RNUGEFNXAGRTRJ-QGZVFWFLSA-N 2 1 292.854 3.757 20 0 CHADMP Fc1ccc(Cl)c(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222314034 1135223834 /nfs/dbraw/zinc/22/38/34/1135223834.db2.gz ARAIIRVBPYWPRS-INIZCTEOSA-N 2 1 296.817 3.587 20 0 CHADMP Fc1ccc(Cl)c(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222314034 1135223840 /nfs/dbraw/zinc/22/38/40/1135223840.db2.gz ARAIIRVBPYWPRS-INIZCTEOSA-N 2 1 296.817 3.587 20 0 CHADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)CC1 ZINC001222385379 1135233668 /nfs/dbraw/zinc/23/36/68/1135233668.db2.gz LKRGCUMBVFZPLX-OKZBNKHCSA-N 2 1 276.468 3.587 20 0 CHADMP CC1(C[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)CCCCC1 ZINC001222385222 1135233945 /nfs/dbraw/zinc/23/39/45/1135233945.db2.gz HVYRLUUTWNJWRT-QGZVFWFLSA-N 2 1 264.457 3.565 20 0 CHADMP CC(C)c1cc(C[N@@H+]2CC[C@H]3C[NH2+]CC[C@H]32)ccc1Cl ZINC001222623135 1135255851 /nfs/dbraw/zinc/25/58/51/1135255851.db2.gz BMCQUUSEJGPKPI-WMLDXEAASA-N 2 1 292.854 3.647 20 0 CHADMP CC(C)c1cc(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)ccc1Cl ZINC001222623135 1135255856 /nfs/dbraw/zinc/25/58/56/1135255856.db2.gz BMCQUUSEJGPKPI-WMLDXEAASA-N 2 1 292.854 3.647 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@H](CC2CCC2)c2ccccc2)CC1 ZINC000344313629 530047518 /nfs/dbraw/zinc/04/75/18/530047518.db2.gz ZAWJNJUPKRHLNV-LJQANCHMSA-N 2 1 284.447 3.769 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000341759938 535003515 /nfs/dbraw/zinc/00/35/15/535003515.db2.gz WOUPGNDHDKZLGO-QGZVFWFLSA-N 2 1 278.415 3.523 20 0 CHADMP CCCC[NH+]1CCCC2(CCC[N@H+](CCCC)C2)C1 ZINC000574322118 335010246 /nfs/dbraw/zinc/01/02/46/335010246.db2.gz KCBYJWWNBHGJDT-UHFFFAOYSA-N 2 1 266.473 3.765 20 0 CHADMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(F)c(F)c1 ZINC000020143367 171028749 /nfs/dbraw/zinc/02/87/49/171028749.db2.gz JWUFRMLMWIPPHH-NSHDSACASA-N 2 1 296.405 3.925 20 0 CHADMP CC1(C)CC([NH2+]Cc2ccc(Cl)s2)CC(C)(C)[NH2+]1 ZINC000020143464 171029318 /nfs/dbraw/zinc/02/93/18/171029318.db2.gz UXRCKKBIABYLSR-UHFFFAOYSA-N 2 1 286.872 3.800 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@@H](CC)c2cccs2)CC1 ZINC000020190123 171057070 /nfs/dbraw/zinc/05/70/70/171057070.db2.gz VBPYCKAVQQWLQT-AWEZNQCLSA-N 2 1 266.454 3.663 20 0 CHADMP CCC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1ccccc1 ZINC000035013095 171930315 /nfs/dbraw/zinc/93/03/15/171930315.db2.gz MKVHPBUSEKMXOB-KRWDZBQOSA-N 2 1 260.425 3.602 20 0 CHADMP CC(C)C1CCC([NH2+]CC[N@H+](C)C2CCCC2)CC1 ZINC000071377085 176141715 /nfs/dbraw/zinc/14/17/15/176141715.db2.gz TUCFUWKZRPNILB-UHFFFAOYSA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)C1CCC([NH2+]CC[N@@H+](C)C2CCCC2)CC1 ZINC000071377085 176141716 /nfs/dbraw/zinc/14/17/16/176141716.db2.gz TUCFUWKZRPNILB-UHFFFAOYSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1occc1C[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000334597249 225034162 /nfs/dbraw/zinc/03/41/62/225034162.db2.gz IXJADAMMHSXPTC-INIZCTEOSA-N 2 1 299.418 3.500 20 0 CHADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000366974962 226029601 /nfs/dbraw/zinc/02/96/01/226029601.db2.gz ULONTHJYDIWZNH-CNMWIUBYSA-N 2 1 286.463 3.559 20 0 CHADMP CSC1(C[NH2+]C[C@@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000347996216 226399398 /nfs/dbraw/zinc/39/93/98/226399398.db2.gz GHXMBAKTSYUUSQ-INIZCTEOSA-N 2 1 296.524 3.516 20 0 CHADMP CSC1(C[NH2+]C[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000347996216 226399399 /nfs/dbraw/zinc/39/93/99/226399399.db2.gz GHXMBAKTSYUUSQ-INIZCTEOSA-N 2 1 296.524 3.516 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+]C(C)(C)c1cccc(Cl)c1F ZINC000352277189 228211385 /nfs/dbraw/zinc/21/13/85/228211385.db2.gz ZPZRAYDHJVAYDO-UHFFFAOYSA-N 2 1 295.789 3.509 20 0 CHADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169796 260152618 /nfs/dbraw/zinc/15/26/18/260152618.db2.gz JKLOVEUAEPAVKZ-VXGBXAGGSA-N 2 1 284.806 3.601 20 0 CHADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000312577293 260156558 /nfs/dbraw/zinc/15/65/58/260156558.db2.gz VPFSQDDYNLNZRF-TZMCWYRMSA-N 2 1 274.408 3.590 20 0 CHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000189067492 260195118 /nfs/dbraw/zinc/19/51/18/260195118.db2.gz YKFCYKUZZFFAGE-DLBZAZTESA-N 2 1 278.484 3.811 20 0 CHADMP CSc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000091957343 260266989 /nfs/dbraw/zinc/26/69/89/260266989.db2.gz LTIWQEPGMDIPMM-FVQBIDKESA-N 2 1 290.476 3.686 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1C ZINC000088163885 260280021 /nfs/dbraw/zinc/28/00/21/260280021.db2.gz SDEMAWLJCUNUSZ-BPIHKTFHSA-N 2 1 286.463 3.969 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C ZINC000088163885 260280022 /nfs/dbraw/zinc/28/00/22/260280022.db2.gz SDEMAWLJCUNUSZ-BPIHKTFHSA-N 2 1 286.463 3.969 20 0 CHADMP C/C(=C\c1ccccc1)C[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000518269489 260364767 /nfs/dbraw/zinc/36/47/67/260364767.db2.gz DCWOTZMICKNYQQ-XEYRCQSKSA-N 2 1 286.463 3.800 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C ZINC000130172510 260392849 /nfs/dbraw/zinc/39/28/49/260392849.db2.gz MNAKRGZPBCIJMU-CGTJXYLNSA-N 2 1 272.436 3.581 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000130248025 260394402 /nfs/dbraw/zinc/39/44/02/260394402.db2.gz AQMYUEGIVPUNSN-BBWFWOEESA-N 2 1 264.457 3.562 20 0 CHADMP CCOc1ccccc1[C@@H](CC)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000153945319 261085607 /nfs/dbraw/zinc/08/56/07/261085607.db2.gz XQOZJYLZIARZOW-BFYDXBDKSA-N 2 1 290.451 3.609 20 0 CHADMP CCOc1ccccc1[C@@H](CC)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000153945319 261085609 /nfs/dbraw/zinc/08/56/09/261085609.db2.gz XQOZJYLZIARZOW-BFYDXBDKSA-N 2 1 290.451 3.609 20 0 CHADMP C[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1 ZINC000153972441 261086215 /nfs/dbraw/zinc/08/62/15/261086215.db2.gz IWFGPVXULJWANP-ZDUSSCGKSA-N 2 1 292.854 3.660 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccco1 ZINC000154873131 261095910 /nfs/dbraw/zinc/09/59/10/261095910.db2.gz DPYRSVAQUAAYHR-OAHLLOKOSA-N 2 1 286.419 3.971 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCC12CCCCC2 ZINC000449072460 261149799 /nfs/dbraw/zinc/14/97/99/261149799.db2.gz KKZWFIXVKGBASL-WBVHZDCISA-N 2 1 289.467 3.920 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000164630983 261356244 /nfs/dbraw/zinc/35/62/44/261356244.db2.gz WAIOMFDWZYXWSY-INIZCTEOSA-N 2 1 285.435 3.939 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000164653946 261356548 /nfs/dbraw/zinc/35/65/48/261356548.db2.gz WJXKEHDQLUYAGJ-GFCCVEGCSA-N 2 1 293.361 3.601 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000164685339 261357532 /nfs/dbraw/zinc/35/75/32/261357532.db2.gz ZBAIMMSHCZRFME-ZDUSSCGKSA-N 2 1 291.826 3.976 20 0 CHADMP CCc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000518763557 261387261 /nfs/dbraw/zinc/38/72/61/261387261.db2.gz WGXOJSZVPUZVNW-KRWDZBQOSA-N 2 1 288.479 3.851 20 0 CHADMP C[C@H](NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000309752972 262012837 /nfs/dbraw/zinc/01/28/37/262012837.db2.gz WILDHVVSOAWORE-QFBILLFUSA-N 2 1 298.430 3.842 20 0 CHADMP C[C@H]([NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1)c1ccco1 ZINC000309752972 262012840 /nfs/dbraw/zinc/01/28/40/262012840.db2.gz WILDHVVSOAWORE-QFBILLFUSA-N 2 1 298.430 3.842 20 0 CHADMP CCC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccnc1 ZINC000185940832 262072740 /nfs/dbraw/zinc/07/27/40/262072740.db2.gz ZHWZZOGJRYDUFU-QGZVFWFLSA-N 2 1 289.467 3.775 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000020078447 262190663 /nfs/dbraw/zinc/19/06/63/262190663.db2.gz DFQUJHBGOSKQAX-LBPRGKRZSA-N 2 1 286.822 3.862 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2OCC)CC1 ZINC000020189880 262233158 /nfs/dbraw/zinc/23/31/58/262233158.db2.gz IUSGIZWTMZBOCH-HNNXBMFYSA-N 2 1 290.451 3.610 20 0 CHADMP CC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390693383 262241162 /nfs/dbraw/zinc/24/11/62/262241162.db2.gz BLGVYLQATAAZRS-RDJZCZTQSA-N 2 1 274.452 3.675 20 0 CHADMP CC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390693383 262241164 /nfs/dbraw/zinc/24/11/64/262241164.db2.gz BLGVYLQATAAZRS-RDJZCZTQSA-N 2 1 274.452 3.675 20 0 CHADMP CC[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390693382 262241538 /nfs/dbraw/zinc/24/15/38/262241538.db2.gz BLGVYLQATAAZRS-NVXWUHKLSA-N 2 1 274.452 3.675 20 0 CHADMP CC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390693382 262241540 /nfs/dbraw/zinc/24/15/40/262241540.db2.gz BLGVYLQATAAZRS-NVXWUHKLSA-N 2 1 274.452 3.675 20 0 CHADMP C[C@H](CCC1CC1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000186195554 262312901 /nfs/dbraw/zinc/31/29/01/262312901.db2.gz ALDSORIAPMAXEV-MRXNPFEDSA-N 2 1 286.463 3.819 20 0 CHADMP CC1(C)CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000390775383 262345524 /nfs/dbraw/zinc/34/55/24/262345524.db2.gz MMDKODVUKMIKQI-ZWKOTPCHSA-N 2 1 286.463 3.677 20 0 CHADMP CCC1CCC([NH2+]C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000021061385 262375294 /nfs/dbraw/zinc/37/52/94/262375294.db2.gz DZYXBUDTJSOMTN-OFLPRAFFSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000414172589 262813805 /nfs/dbraw/zinc/81/38/05/262813805.db2.gz FMPQAIXANGOPBN-KGLIPLIRSA-N 2 1 280.843 3.723 20 0 CHADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)CC[NH2+]1 ZINC000414677815 263031177 /nfs/dbraw/zinc/03/11/77/263031177.db2.gz PKSCOQLNBFEZBU-JKIFEVAISA-N 2 1 292.854 3.865 20 0 CHADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]2c2ccccc2Cl)CC[NH2+]1 ZINC000414681840 263031287 /nfs/dbraw/zinc/03/12/87/263031287.db2.gz WUHYYPJNYJPCPA-JKIFEVAISA-N 2 1 292.854 3.865 20 0 CHADMP CC(C)[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414689551 263032489 /nfs/dbraw/zinc/03/24/89/263032489.db2.gz GDVPIDYKBSTXGK-RYRKJORJSA-N 2 1 274.452 3.704 20 0 CHADMP Cc1ccc(C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C(C)C)s1 ZINC000414699430 263033261 /nfs/dbraw/zinc/03/32/61/263033261.db2.gz YOIWCKKZIJWIDC-UKRRQHHQSA-N 2 1 280.481 3.655 20 0 CHADMP CC[N@@H+](Cc1ccc(Cl)c(C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000414714719 263034110 /nfs/dbraw/zinc/03/41/10/263034110.db2.gz MGGULZYMDALRMN-OAHLLOKOSA-N 2 1 280.843 3.612 20 0 CHADMP c1ccc(C2CCC(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)CC2)cc1 ZINC000414777014 263044801 /nfs/dbraw/zinc/04/48/01/263044801.db2.gz XJMRWLKNDFGCQF-HFPIOELMSA-N 2 1 298.474 3.644 20 0 CHADMP c1ccc(C2CCC(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)CC2)cc1 ZINC000414777014 263044802 /nfs/dbraw/zinc/04/48/02/263044802.db2.gz XJMRWLKNDFGCQF-HFPIOELMSA-N 2 1 298.474 3.644 20 0 CHADMP C[C@@H](C[NH3+])[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000414961810 263166680 /nfs/dbraw/zinc/16/66/80/263166680.db2.gz WEOMYOGQVNLMFR-JTQLQIEISA-N 2 1 280.824 3.505 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)CC[N@@H+]1C ZINC000453285064 263219196 /nfs/dbraw/zinc/21/91/96/263219196.db2.gz LMUVNNCAPBSFOY-RQJABVFESA-N 2 1 292.389 3.570 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)CC[N@H+]1C ZINC000453285064 263219200 /nfs/dbraw/zinc/21/92/00/263219200.db2.gz LMUVNNCAPBSFOY-RQJABVFESA-N 2 1 292.389 3.570 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@@H]([NH2+][C@@H](C[NH3+])C2CCCC2)C1 ZINC000415072646 263262934 /nfs/dbraw/zinc/26/29/34/263262934.db2.gz YJGOGSXCNRHWOU-QYZOEREBSA-N 2 1 286.463 3.604 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cccc(Cl)c1Cl ZINC000415092667 263272062 /nfs/dbraw/zinc/27/20/62/263272062.db2.gz UDKMTMIKSVUJHU-GHMZBOCLSA-N 2 1 287.234 3.786 20 0 CHADMP c1ccc([C@H]2C[C@H]([NH2+]C3CCCCCC3)CC[NH2+]2)cc1 ZINC000415098239 263273408 /nfs/dbraw/zinc/27/34/08/263273408.db2.gz FCLSXQOIYIGJIS-QZTJIDSGSA-N 2 1 272.436 3.792 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C2CC2)cc1 ZINC000157456331 264376102 /nfs/dbraw/zinc/37/61/02/264376102.db2.gz ZIGFLVWAWFEWRG-QRVBRYPASA-N 2 1 284.447 3.663 20 0 CHADMP C[C@H](C[NH2+][C@@H](C)c1csc(Cl)c1)C[NH+]1CCCC1 ZINC000191189159 265167182 /nfs/dbraw/zinc/16/71/82/265167182.db2.gz DDLLRYMCRGUGPN-NEPJUHHUSA-N 2 1 286.872 3.784 20 0 CHADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000094826882 265259614 /nfs/dbraw/zinc/25/96/14/265259614.db2.gz CYWZOOHVZRCZER-CYBMUJFWSA-N 2 1 296.405 3.880 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCCF)cc1 ZINC000367545540 267098469 /nfs/dbraw/zinc/09/84/69/267098469.db2.gz WYGZLROGDOUPSW-CYBMUJFWSA-N 2 1 275.371 3.581 20 0 CHADMP CCSc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000369902925 267275635 /nfs/dbraw/zinc/27/56/35/267275635.db2.gz RZRJWUCJFVEEMT-HOTGVXAUSA-N 2 1 290.476 3.515 20 0 CHADMP CCSc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000369902925 267275637 /nfs/dbraw/zinc/27/56/37/267275637.db2.gz RZRJWUCJFVEEMT-HOTGVXAUSA-N 2 1 290.476 3.515 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cc(C)sc1C ZINC000020549113 267308041 /nfs/dbraw/zinc/30/80/41/267308041.db2.gz UGDXBJGPFANHQL-ZDUSSCGKSA-N 2 1 268.470 3.747 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cccc(C)c1C ZINC000164605150 327722491 /nfs/dbraw/zinc/72/24/91/327722491.db2.gz DGDKEDWOVVSAHM-MRXNPFEDSA-N 2 1 285.435 3.939 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000019943240 327869489 /nfs/dbraw/zinc/86/94/89/327869489.db2.gz NAMADMHQJCSVHU-ZDUSSCGKSA-N 2 1 268.832 3.723 20 0 CHADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)C(C)(C)c1ccccc1 ZINC000538322706 327939863 /nfs/dbraw/zinc/93/98/63/327939863.db2.gz ZRYDUMBUBVCWFB-KRWDZBQOSA-N 2 1 285.435 3.538 20 0 CHADMP CC[C@@H](CN[C@H]1CCc2c1cccc2Cl)[NH+]1CCCC1 ZINC000531685680 328021663 /nfs/dbraw/zinc/02/16/63/328021663.db2.gz LAYYGNVGNONJMM-GUYCJALGSA-N 2 1 292.854 3.791 20 0 CHADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C)cc1 ZINC000563307679 328021820 /nfs/dbraw/zinc/02/18/20/328021820.db2.gz CMDLILGKGUNUHT-OWCLPIDISA-N 2 1 292.467 3.506 20 0 CHADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000563307679 328021822 /nfs/dbraw/zinc/02/18/22/328021822.db2.gz CMDLILGKGUNUHT-OWCLPIDISA-N 2 1 292.467 3.506 20 0 CHADMP CC(C)=CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000531720107 328028634 /nfs/dbraw/zinc/02/86/34/328028634.db2.gz KROIHUGYZWIXIS-CVEARBPZSA-N 2 1 264.457 3.728 20 0 CHADMP CC(C)=CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000531720107 328028636 /nfs/dbraw/zinc/02/86/36/328028636.db2.gz KROIHUGYZWIXIS-CVEARBPZSA-N 2 1 264.457 3.728 20 0 CHADMP Cc1ccc([C@@H]2CCCCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)o1 ZINC000534011372 328032740 /nfs/dbraw/zinc/03/27/40/328032740.db2.gz QZBPSALFZOGBCD-IRXDYDNUSA-N 2 1 290.451 3.989 20 0 CHADMP CCCCc1ccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000401759563 328055134 /nfs/dbraw/zinc/05/51/34/328055134.db2.gz HGSDLNACPRHWAV-HNNXBMFYSA-N 2 1 285.435 3.656 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000268787732 328071721 /nfs/dbraw/zinc/07/17/21/328071721.db2.gz FLRLOTQYFLUMLS-JTQLQIEISA-N 2 1 298.217 3.849 20 0 CHADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(-c2ccccc2)c1 ZINC000571578190 328134726 /nfs/dbraw/zinc/13/47/26/328134726.db2.gz GKKVZHHZFNPFOA-HNAYVOBHSA-N 2 1 280.415 3.665 20 0 CHADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(-c2ccccc2)c1 ZINC000571578184 328134761 /nfs/dbraw/zinc/13/47/61/328134761.db2.gz GKKVZHHZFNPFOA-BEFAXECRSA-N 2 1 280.415 3.665 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccccc1Cl ZINC000267256617 328176100 /nfs/dbraw/zinc/17/61/00/328176100.db2.gz PJELAEJYPHAXML-GFCCVEGCSA-N 2 1 277.799 3.586 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000268796421 328186176 /nfs/dbraw/zinc/18/61/76/328186176.db2.gz IKZLYWXIZNZKEZ-DVOMOZLQSA-N 2 1 288.460 3.720 20 0 CHADMP Cc1ccc([C@H](C)[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)c(C)c1 ZINC000414682941 328213968 /nfs/dbraw/zinc/21/39/68/328213968.db2.gz ZLTWBVSHTFKINU-YESZJQIVSA-N 2 1 274.452 3.684 20 0 CHADMP C[N@@H+]([C@H]1CC[C@@](C)(c2ccccc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC000414754737 328220372 /nfs/dbraw/zinc/22/03/72/328220372.db2.gz SCZHGSWZSQHRDX-CEXWTWQISA-N 2 1 286.463 3.571 20 0 CHADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1csc(Cl)c1Cl ZINC000414801808 328231813 /nfs/dbraw/zinc/23/18/13/328231813.db2.gz MHCQSMPLCOTTBX-PSASIEDQSA-N 2 1 293.263 3.662 20 0 CHADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000415011850 328298799 /nfs/dbraw/zinc/29/87/99/328298799.db2.gz IPBHRSGQBKFVJN-KBPBESRZSA-N 2 1 286.444 3.663 20 0 CHADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000453408645 328302992 /nfs/dbraw/zinc/30/29/92/328302992.db2.gz FNGRAJAWAJEVJO-ZDUSSCGKSA-N 2 1 280.843 3.865 20 0 CHADMP CC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C(C)C ZINC000531938347 328322277 /nfs/dbraw/zinc/32/22/77/328322277.db2.gz VZVXOSRJZXXYRP-HOTGVXAUSA-N 2 1 254.462 3.665 20 0 CHADMP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000049553338 328371611 /nfs/dbraw/zinc/37/16/11/328371611.db2.gz XRSPWHDNTCNNCH-KBPBESRZSA-N 2 1 288.435 3.986 20 0 CHADMP CC(C)CC[C@H]1CCCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000568527283 327002473 /nfs/dbraw/zinc/00/24/73/327002473.db2.gz ORDVRIAYTSOTMX-MRXNPFEDSA-N 2 1 277.456 3.643 20 0 CHADMP CC(C)CC[C@H]1CCCC[N@H+]1CCCc1c[nH+]cn1C ZINC000568527283 327002475 /nfs/dbraw/zinc/00/24/75/327002475.db2.gz ORDVRIAYTSOTMX-MRXNPFEDSA-N 2 1 277.456 3.643 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc3cc(C)ccc3o2)[C@@H](C)C1 ZINC000557826382 327029437 /nfs/dbraw/zinc/02/94/37/327029437.db2.gz GEIJQTUARJFTIS-YOEHRIQHSA-N 2 1 286.419 3.561 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc3cc(C)ccc3o2)[C@@H](C)C1 ZINC000557826382 327029438 /nfs/dbraw/zinc/02/94/38/327029438.db2.gz GEIJQTUARJFTIS-YOEHRIQHSA-N 2 1 286.419 3.561 20 0 CHADMP CCCC[C@H](C)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000558160351 327076805 /nfs/dbraw/zinc/07/68/05/327076805.db2.gz ZMJJNPUPGHHFRO-ZSNVMCELSA-N 2 1 266.473 3.806 20 0 CHADMP CCCC[C@H](C)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000558160351 327076806 /nfs/dbraw/zinc/07/68/06/327076806.db2.gz ZMJJNPUPGHHFRO-ZSNVMCELSA-N 2 1 266.473 3.806 20 0 CHADMP Cc1ccncc1CCC[N@@H+](C)CCCOc1ccccc1 ZINC000558398730 327090476 /nfs/dbraw/zinc/09/04/76/327090476.db2.gz YFRQWECTLFLAQI-UHFFFAOYSA-N 2 1 298.430 3.724 20 0 CHADMP CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000558419117 327092609 /nfs/dbraw/zinc/09/26/09/327092609.db2.gz IAYGWNXIBULGGZ-BRWVUGGUSA-N 2 1 266.473 3.665 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CC(c2ccccc2F)C1 ZINC000558500761 327098667 /nfs/dbraw/zinc/09/86/67/327098667.db2.gz LCURHAJVRQVIED-QQFBHYJXSA-N 2 1 292.442 3.782 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CC(c2ccccc2F)C1 ZINC000558500761 327098669 /nfs/dbraw/zinc/09/86/69/327098669.db2.gz LCURHAJVRQVIED-QQFBHYJXSA-N 2 1 292.442 3.782 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H]2C=CCCCCC2)CC1 ZINC000559071218 327140089 /nfs/dbraw/zinc/14/00/89/327140089.db2.gz MKAWRNUGQJOAQR-SFHVURJKSA-N 2 1 278.484 3.928 20 0 CHADMP C[C@H]1C[C@@H](c2ccccc2)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000569351550 327157120 /nfs/dbraw/zinc/15/71/20/327157120.db2.gz HDOMEZQHHPYPKE-WMZOPIPTSA-N 2 1 297.446 3.621 20 0 CHADMP C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000569351550 327157121 /nfs/dbraw/zinc/15/71/21/327157121.db2.gz HDOMEZQHHPYPKE-WMZOPIPTSA-N 2 1 297.446 3.621 20 0 CHADMP CC[NH2+]CCC[NH2+][C@H](C)c1cc2cc(Cl)ccc2o1 ZINC000573436748 327160935 /nfs/dbraw/zinc/16/09/35/327160935.db2.gz HHFZCEQEHODFHJ-LLVKDONJSA-N 2 1 280.799 3.736 20 0 CHADMP CC[C@@H](C)C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000409444774 327161547 /nfs/dbraw/zinc/16/15/47/327161547.db2.gz DTJRGKOAOKJWJG-MRXNPFEDSA-N 2 1 274.452 3.629 20 0 CHADMP CC[C@@H](C)C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000409444774 327161549 /nfs/dbraw/zinc/16/15/49/327161549.db2.gz DTJRGKOAOKJWJG-MRXNPFEDSA-N 2 1 274.452 3.629 20 0 CHADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000316586552 327176020 /nfs/dbraw/zinc/17/60/20/327176020.db2.gz DSQJFDPUVSGDCK-WBVHZDCISA-N 2 1 296.414 3.791 20 0 CHADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000316586552 327176022 /nfs/dbraw/zinc/17/60/22/327176022.db2.gz DSQJFDPUVSGDCK-WBVHZDCISA-N 2 1 296.414 3.791 20 0 CHADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)c(F)c2)CC1 ZINC000092165932 327188978 /nfs/dbraw/zinc/18/89/78/327188978.db2.gz MZKGDFXAKDCTII-UHFFFAOYSA-N 2 1 298.833 3.785 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)c(F)c2)CC1 ZINC000092165932 327188980 /nfs/dbraw/zinc/18/89/80/327188980.db2.gz MZKGDFXAKDCTII-UHFFFAOYSA-N 2 1 298.833 3.785 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CCN(C/C(C)=C\c2ccccc2)C1 ZINC000255024366 327250736 /nfs/dbraw/zinc/25/07/36/327250736.db2.gz MXBXWKDWBUVCKD-LYDJUCFBSA-N 2 1 286.463 3.754 20 0 CHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C/C(C)=C\c2ccccc2)C1 ZINC000255024366 327250737 /nfs/dbraw/zinc/25/07/37/327250737.db2.gz MXBXWKDWBUVCKD-LYDJUCFBSA-N 2 1 286.463 3.754 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C/C(C)=C\c2ccccc2)C1 ZINC000255024366 327250738 /nfs/dbraw/zinc/25/07/38/327250738.db2.gz MXBXWKDWBUVCKD-LYDJUCFBSA-N 2 1 286.463 3.754 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C/C(C)=C\c2ccccc2)C1 ZINC000255024366 327250739 /nfs/dbraw/zinc/25/07/39/327250739.db2.gz MXBXWKDWBUVCKD-LYDJUCFBSA-N 2 1 286.463 3.754 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C/C(C)=C\c2ccccc2)C1 ZINC000255024366 327250740 /nfs/dbraw/zinc/25/07/40/327250740.db2.gz MXBXWKDWBUVCKD-LYDJUCFBSA-N 2 1 286.463 3.754 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(C)CCCC2)C[C@H]1c1ccccc1 ZINC000559788072 327261370 /nfs/dbraw/zinc/26/13/70/327261370.db2.gz CKXITWXWKIROOA-MSOLQXFVSA-N 2 1 286.463 3.992 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CC2(C)CCCC2)C[C@H]1c1ccccc1 ZINC000559788072 327261372 /nfs/dbraw/zinc/26/13/72/327261372.db2.gz CKXITWXWKIROOA-MSOLQXFVSA-N 2 1 286.463 3.992 20 0 CHADMP CCC[C@H](CC)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000559787451 327261839 /nfs/dbraw/zinc/26/18/39/327261839.db2.gz PIKDYXTUXSCNDH-RCCFBDPRSA-N 2 1 274.452 3.990 20 0 CHADMP CCC[C@H](CC)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000559787451 327261841 /nfs/dbraw/zinc/26/18/41/327261841.db2.gz PIKDYXTUXSCNDH-RCCFBDPRSA-N 2 1 274.452 3.990 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]CC2(C3CC3)CCC2)C[C@H]1c1ccccc1 ZINC000559787393 327262097 /nfs/dbraw/zinc/26/20/97/327262097.db2.gz ORPQPBSYNMLTEW-OALUTQOASA-N 2 1 298.474 3.992 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC2(C3CC3)CCC2)C[C@H]1c1ccccc1 ZINC000559787393 327262098 /nfs/dbraw/zinc/26/20/98/327262098.db2.gz ORPQPBSYNMLTEW-OALUTQOASA-N 2 1 298.474 3.992 20 0 CHADMP C[C@@H](c1ccccc1Cl)N(C)CC[C@@H]1CCC[N@H+]1C ZINC000559841756 327264992 /nfs/dbraw/zinc/26/49/92/327264992.db2.gz DWTLXRXMIGMHLR-KBPBESRZSA-N 2 1 280.843 3.817 20 0 CHADMP CC(C)C1([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000559890966 327268492 /nfs/dbraw/zinc/26/84/92/327268492.db2.gz LNJBTZDVNVOGOP-CEXWTWQISA-N 2 1 298.474 3.675 20 0 CHADMP CCC1CC([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000560245064 327293083 /nfs/dbraw/zinc/29/30/83/327293083.db2.gz GULDSHAGCGVQBE-KXJMLMMSSA-N 2 1 292.492 3.909 20 0 CHADMP CCC1CC([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000560245064 327293085 /nfs/dbraw/zinc/29/30/85/327293085.db2.gz GULDSHAGCGVQBE-KXJMLMMSSA-N 2 1 292.492 3.909 20 0 CHADMP Cc1cccc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000560524565 327318363 /nfs/dbraw/zinc/31/83/63/327318363.db2.gz GFRPTWOGHWFFDD-OWYHZJEWSA-N 2 1 286.463 3.561 20 0 CHADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CC=CCC1 ZINC000560541983 327321942 /nfs/dbraw/zinc/32/19/42/327321942.db2.gz FJCMUAXUTQYHHR-UYAOXDASSA-N 2 1 298.474 3.797 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC(C)=C[C@@H](C)C2)[C@H](C)C1 ZINC000583413159 327351013 /nfs/dbraw/zinc/35/10/13/327351013.db2.gz PBHMHTRJERHYDR-BGTYHANMSA-N 2 1 278.484 3.641 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC(C)=C[C@@H](C)C2)[C@H](C)C1 ZINC000583413159 327351015 /nfs/dbraw/zinc/35/10/15/327351015.db2.gz PBHMHTRJERHYDR-BGTYHANMSA-N 2 1 278.484 3.641 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC(C)=C[C@@H](C)C2)[C@H](C)C1 ZINC000583413159 327351017 /nfs/dbraw/zinc/35/10/17/327351017.db2.gz PBHMHTRJERHYDR-BGTYHANMSA-N 2 1 278.484 3.641 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(Cl)cc1Cl ZINC000261571139 327353730 /nfs/dbraw/zinc/35/37/30/327353730.db2.gz KWIFSRHAWWMRIG-BFVZDQMLSA-N 2 1 287.234 3.642 20 0 CHADMP Cc1ccccc1[C@@H](C(C)C)[N@H+](C)CCCc1c[nH+]cn1C ZINC000566418867 327354587 /nfs/dbraw/zinc/35/45/87/327354587.db2.gz MOHFAEUUOKLRMJ-LJQANCHMSA-N 2 1 299.462 3.990 20 0 CHADMP Cc1ccccc1[C@@H](C(C)C)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000566418867 327354589 /nfs/dbraw/zinc/35/45/89/327354589.db2.gz MOHFAEUUOKLRMJ-LJQANCHMSA-N 2 1 299.462 3.990 20 0 CHADMP CC1=CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000561278518 327382060 /nfs/dbraw/zinc/38/20/60/327382060.db2.gz HZSPPCVAULGLDT-VQTJNVASSA-N 2 1 298.474 3.639 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C2CC(C)(c3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000561314093 327385108 /nfs/dbraw/zinc/38/51/08/327385108.db2.gz BMIOGKYIQIUPLG-LJHLBFKCSA-N 2 1 298.474 3.569 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)cc1 ZINC000403257649 328842541 /nfs/dbraw/zinc/84/25/41/328842541.db2.gz WQRBLUYDPADINX-QRVBRYPASA-N 2 1 298.474 3.677 20 0 CHADMP CC[C@H](C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000357340310 328869446 /nfs/dbraw/zinc/86/94/46/328869446.db2.gz AQCOPUCOJRKIMG-KBPBESRZSA-N 2 1 271.408 3.877 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000377392780 329013697 /nfs/dbraw/zinc/01/36/97/329013697.db2.gz QOYOGEMQCYSRFI-DLBZAZTESA-N 2 1 278.415 3.693 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+]CC[C@@H](C)c2ccccc2)C1 ZINC000194261374 329080435 /nfs/dbraw/zinc/08/04/35/329080435.db2.gz UVQNXENBKAEVQT-IAGOWNOFSA-N 2 1 274.452 3.502 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000394505775 329124388 /nfs/dbraw/zinc/12/43/88/329124388.db2.gz GIRWECUMJCKKRF-IXDOHACOSA-N 2 1 266.473 3.523 20 0 CHADMP c1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc2c1CCC2 ZINC000172576400 329137630 /nfs/dbraw/zinc/13/76/30/329137630.db2.gz WGHUEPOLQYHCOQ-HXUWFJFHSA-N 2 1 298.474 3.626 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)sc2C)[C@H](C)C1 ZINC000175732432 329171354 /nfs/dbraw/zinc/17/13/54/329171354.db2.gz VQBFBERTHGVGFJ-MLGOLLRUSA-N 2 1 280.481 3.527 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)sc2C)[C@H](C)C1 ZINC000175732432 329171355 /nfs/dbraw/zinc/17/13/55/329171355.db2.gz VQBFBERTHGVGFJ-MLGOLLRUSA-N 2 1 280.481 3.527 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)sc2C)[C@H](C)C1 ZINC000175732432 329171356 /nfs/dbraw/zinc/17/13/56/329171356.db2.gz VQBFBERTHGVGFJ-MLGOLLRUSA-N 2 1 280.481 3.527 20 0 CHADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccsc2)CC1 ZINC000177836929 329192829 /nfs/dbraw/zinc/19/28/29/329192829.db2.gz SOUVSRJLNXJQGZ-ZDUSSCGKSA-N 2 1 266.454 3.519 20 0 CHADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000178412323 329199786 /nfs/dbraw/zinc/19/97/86/329199786.db2.gz PQULVGNSVFSAGX-CYBMUJFWSA-N 2 1 295.496 3.711 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccc(C)cc1 ZINC000178696963 329202395 /nfs/dbraw/zinc/20/23/95/329202395.db2.gz GDBYZXDMWFSJPR-CRAIPNDOSA-N 2 1 285.435 3.877 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cccc(C)c1C ZINC000178697491 329202452 /nfs/dbraw/zinc/20/24/52/329202452.db2.gz LBGHPSGOANRUNA-XJKSGUPXSA-N 2 1 285.435 3.795 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cccc(C)c1C ZINC000178697464 329202512 /nfs/dbraw/zinc/20/25/12/329202512.db2.gz LBGHPSGOANRUNA-CZUORRHYSA-N 2 1 285.435 3.795 20 0 CHADMP Cc1cc([C@@H](C)NCCC[N@H+](C)C(C)C)c(C)s1 ZINC000221910756 329215775 /nfs/dbraw/zinc/21/57/75/329215775.db2.gz GTHYVPNXNRPOGH-CYBMUJFWSA-N 2 1 268.470 3.746 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c(C)s1 ZINC000221910756 329215776 /nfs/dbraw/zinc/21/57/76/329215776.db2.gz GTHYVPNXNRPOGH-CYBMUJFWSA-N 2 1 268.470 3.746 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)c(C)s1 ZINC000221910756 329215777 /nfs/dbraw/zinc/21/57/77/329215777.db2.gz GTHYVPNXNRPOGH-CYBMUJFWSA-N 2 1 268.470 3.746 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1c2cc(C)ccc2C[C@H]1C ZINC000180442688 329216886 /nfs/dbraw/zinc/21/68/86/329216886.db2.gz AUEDCDFPLVUACC-SPYBWZPUSA-N 2 1 297.446 3.659 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1F ZINC000180458895 329217393 /nfs/dbraw/zinc/21/73/93/329217393.db2.gz KCJHEDITHXKRNT-YJBOKZPZSA-N 2 1 292.442 3.987 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1F ZINC000180458895 329217395 /nfs/dbraw/zinc/21/73/95/329217395.db2.gz KCJHEDITHXKRNT-YJBOKZPZSA-N 2 1 292.442 3.987 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1F ZINC000180458943 329217666 /nfs/dbraw/zinc/21/76/66/329217666.db2.gz KCJHEDITHXKRNT-CRAIPNDOSA-N 2 1 292.442 3.987 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1F ZINC000180458943 329217667 /nfs/dbraw/zinc/21/76/67/329217667.db2.gz KCJHEDITHXKRNT-CRAIPNDOSA-N 2 1 292.442 3.987 20 0 CHADMP CCc1ccc(CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000183101681 329244975 /nfs/dbraw/zinc/24/49/75/329244975.db2.gz WBXOAAGUMXRAGG-LSDHHAIUSA-N 2 1 290.451 3.585 20 0 CHADMP CCc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000183101681 329244977 /nfs/dbraw/zinc/24/49/77/329244977.db2.gz WBXOAAGUMXRAGG-LSDHHAIUSA-N 2 1 290.451 3.585 20 0 CHADMP CCc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000183101681 329244979 /nfs/dbraw/zinc/24/49/79/329244979.db2.gz WBXOAAGUMXRAGG-LSDHHAIUSA-N 2 1 290.451 3.585 20 0 CHADMP CCc1ccc(CN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000183101723 329245016 /nfs/dbraw/zinc/24/50/16/329245016.db2.gz WBXOAAGUMXRAGG-GJZGRUSLSA-N 2 1 290.451 3.585 20 0 CHADMP CCc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000183101723 329245017 /nfs/dbraw/zinc/24/50/17/329245017.db2.gz WBXOAAGUMXRAGG-GJZGRUSLSA-N 2 1 290.451 3.585 20 0 CHADMP CCc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000183101723 329245018 /nfs/dbraw/zinc/24/50/18/329245018.db2.gz WBXOAAGUMXRAGG-GJZGRUSLSA-N 2 1 290.451 3.585 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1C ZINC000129429690 329617730 /nfs/dbraw/zinc/61/77/30/329617730.db2.gz CUMCACRWTBXFRT-LBPRGKRZSA-N 2 1 291.826 3.579 20 0 CHADMP C[C@@](C[NH3+])([NH2+]CC1CCC(c2ccccc2)CC1)C1CC1 ZINC000420296300 329760516 /nfs/dbraw/zinc/76/05/16/329760516.db2.gz BJDZCUSPEMIDFO-KVWWFHCMSA-N 2 1 286.463 3.677 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000420990372 329795825 /nfs/dbraw/zinc/79/58/25/329795825.db2.gz FKKXKLVLMHHACL-HNNXBMFYSA-N 2 1 284.394 3.704 20 0 CHADMP Cc1ccc([C@H]2CCC[C@H]2[N@@H+](C)CC2CC[NH2+]CC2)cc1 ZINC000262114329 330000004 /nfs/dbraw/zinc/00/00/04/330000004.db2.gz BIQXUESNZIBREX-RTBURBONSA-N 2 1 286.463 3.563 20 0 CHADMP COC1([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CCCC1 ZINC000421821047 330086554 /nfs/dbraw/zinc/08/65/54/330086554.db2.gz PDNREYPFXIXNKF-IRXDYDNUSA-N 2 1 296.499 3.578 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2ccc3c(c2)CCC3)C1 ZINC000445403226 330110986 /nfs/dbraw/zinc/11/09/86/330110986.db2.gz MNPHHXDUKMVVEZ-CVEARBPZSA-N 2 1 286.463 3.510 20 0 CHADMP C[C@H](CC[NH2+][C@H]1CCC1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000379644642 330144831 /nfs/dbraw/zinc/14/48/31/330144831.db2.gz CLABZJIMUGGKJJ-WBVHZDCISA-N 2 1 274.452 3.675 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000379640483 330145912 /nfs/dbraw/zinc/14/59/12/330145912.db2.gz WSOFGZKALYHXLY-NJAFHUGGSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000379640483 330145914 /nfs/dbraw/zinc/14/59/14/330145914.db2.gz WSOFGZKALYHXLY-NJAFHUGGSA-N 2 1 286.463 3.818 20 0 CHADMP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1F ZINC000422876793 330158518 /nfs/dbraw/zinc/15/85/18/330158518.db2.gz QNBACHQNUFTTCP-CKQIIDDLSA-N 2 1 294.389 3.679 20 0 CHADMP CCCOc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422898668 330159492 /nfs/dbraw/zinc/15/94/92/330159492.db2.gz MNXUUARXLFRSDF-MOPGFXCFSA-N 2 1 296.414 3.710 20 0 CHADMP CC(C)C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cccs1 ZINC000422947061 330161951 /nfs/dbraw/zinc/16/19/51/330161951.db2.gz PSBVVYYDNLPWMS-BFHYXJOUSA-N 2 1 266.454 3.565 20 0 CHADMP CC(F)(F)c1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000423127294 330171645 /nfs/dbraw/zinc/17/16/45/330171645.db2.gz BUGZWXFMFLAHQV-CABCVRRESA-N 2 1 282.378 3.548 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(F)c2ccccc21 ZINC000423130901 330171775 /nfs/dbraw/zinc/17/17/75/330171775.db2.gz SMYRNHHEMHNDJN-FHSNZYRGSA-N 2 1 286.394 3.770 20 0 CHADMP CC(C)(C)C1CC([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000423133002 330171781 /nfs/dbraw/zinc/17/17/81/330171781.db2.gz JUZNKNGDXRKZDM-JYSRZZCRSA-N 2 1 286.463 3.894 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)c(C)s1 ZINC000423174544 330174909 /nfs/dbraw/zinc/17/49/09/330174909.db2.gz AZEVNUXEXMKTRN-GFCCVEGCSA-N 2 1 266.454 3.677 20 0 CHADMP CC(C)[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccccc1 ZINC000423180986 330175421 /nfs/dbraw/zinc/17/54/21/330175421.db2.gz BQZWNGNOZJNPOX-LJQANCHMSA-N 2 1 297.446 3.548 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cc2c(ccc3ccccc23)o1 ZINC000423186981 330175625 /nfs/dbraw/zinc/17/56/25/330175625.db2.gz OSSXSYAKFGODHQ-CYBMUJFWSA-N 2 1 294.398 3.989 20 0 CHADMP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1nccc2ccccc21 ZINC000423197618 330176235 /nfs/dbraw/zinc/17/62/35/330176235.db2.gz ABWWEGZXDYMLSU-HNNXBMFYSA-N 2 1 297.446 3.937 20 0 CHADMP CC[C@@H]([NH2+]CCC[NH2+]C)c1ccc(Cl)cc1Cl ZINC000423198466 330176498 /nfs/dbraw/zinc/17/64/98/330176498.db2.gz GBFYOGOUEUKRKM-CYBMUJFWSA-N 2 1 275.223 3.644 20 0 CHADMP Clc1cc2c(c(Cl)c1)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CC2 ZINC000423213025 330178480 /nfs/dbraw/zinc/17/84/80/330178480.db2.gz MPSMYZZQWHULHB-YGRLFVJLSA-N 2 1 299.245 3.570 20 0 CHADMP c1ccc2c(c1)-c1ccccc1C2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423220748 330179520 /nfs/dbraw/zinc/17/95/20/330179520.db2.gz YNALMOKFWPQWEH-YIONKMFJSA-N 2 1 290.410 3.629 20 0 CHADMP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1F ZINC000423221922 330179862 /nfs/dbraw/zinc/17/98/62/330179862.db2.gz YRTGXGGXKPLKDY-ZOWXZIJZSA-N 2 1 298.833 3.908 20 0 CHADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000423269943 330181748 /nfs/dbraw/zinc/18/17/48/330181748.db2.gz HKDXVMLEUOTFDZ-SMDDNHRTSA-N 2 1 274.408 3.556 20 0 CHADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000423259881 330183500 /nfs/dbraw/zinc/18/35/00/330183500.db2.gz FWNJAOJOYHELRN-JQWIXIFHSA-N 2 1 272.795 3.503 20 0 CHADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccsc1 ZINC000423259177 330183538 /nfs/dbraw/zinc/18/35/38/330183538.db2.gz DDKOSECRPJFWOC-CABCVRRESA-N 2 1 266.454 3.696 20 0 CHADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423260586 330183677 /nfs/dbraw/zinc/18/36/77/330183677.db2.gz HPLDKVIWHXLJKP-AAEUAGOBSA-N 2 1 297.512 3.773 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423259988 330183699 /nfs/dbraw/zinc/18/36/99/330183699.db2.gz GJISUAGYCSALHV-DNVCBOLYSA-N 2 1 297.446 3.773 20 0 CHADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(F)c(F)c1 ZINC000423266791 330184172 /nfs/dbraw/zinc/18/41/72/330184172.db2.gz SDLLHDSDMHPVNT-ZBEGNZNMSA-N 2 1 282.378 3.523 20 0 CHADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000423267135 330184510 /nfs/dbraw/zinc/18/45/10/330184510.db2.gz SUVXDEXXBKZMIY-KXBFYZLASA-N 2 1 297.446 3.773 20 0 CHADMP CC[C@@H]([NH2+]CC([NH3+])(CC)CC)c1ccc(Cl)s1 ZINC000423283930 330185702 /nfs/dbraw/zinc/18/57/02/330185702.db2.gz FYSNMODHJHCISC-SNVBAGLBSA-N 2 1 274.861 3.960 20 0 CHADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(-c2cccs2)cc1 ZINC000423283872 330185716 /nfs/dbraw/zinc/18/57/16/330185716.db2.gz FSQMBEZTOYXPJM-LBPRGKRZSA-N 2 1 274.433 3.803 20 0 CHADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc(-c2ccccc2)c1 ZINC000423282495 330185815 /nfs/dbraw/zinc/18/58/15/330185815.db2.gz VDTJBVWPJWGEEE-KUHUBIRLSA-N 2 1 280.415 3.742 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000423287741 330185979 /nfs/dbraw/zinc/18/59/79/330185979.db2.gz OEGGSBMMSSVBCH-AWEZNQCLSA-N 2 1 278.440 3.642 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@@H](c1ccc(C)o1)C1CCC1 ZINC000423287041 330186093 /nfs/dbraw/zinc/18/60/93/330186093.db2.gz JYBWUWRWSDVCKZ-OAHLLOKOSA-N 2 1 264.413 3.536 20 0 CHADMP CC(C)([NH3+])C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000423288155 330186223 /nfs/dbraw/zinc/18/62/23/330186223.db2.gz QTIPDXMVOYYIEW-ZDUSSCGKSA-N 2 1 287.234 3.771 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000423289938 330186572 /nfs/dbraw/zinc/18/65/72/330186572.db2.gz YNXXYWNENFVJAF-LLVKDONJSA-N 2 1 288.357 3.874 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCCC12CCCCC2 ZINC000423296321 330188265 /nfs/dbraw/zinc/18/82/65/330188265.db2.gz GPFCWJPVOCIEIF-LSDHHAIUSA-N 2 1 252.446 3.597 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(SC)c(F)c1 ZINC000423297358 330188583 /nfs/dbraw/zinc/18/85/83/330188583.db2.gz JXVYZNVRFCBJBL-AAEUAGOBSA-N 2 1 284.444 3.716 20 0 CHADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(-c2ccccc2)s1 ZINC000423314446 330189755 /nfs/dbraw/zinc/18/97/55/330189755.db2.gz HGTWBMVXYHFZMS-WFASDCNBSA-N 2 1 286.444 3.803 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(-c2ccccc2)cc1 ZINC000423320763 330190363 /nfs/dbraw/zinc/19/03/63/330190363.db2.gz MPTVAJWURFOCEH-AUUYWEPGSA-N 2 1 280.415 3.742 20 0 CHADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(-c2ccccc2)o1 ZINC000423324820 330190531 /nfs/dbraw/zinc/19/05/31/330190531.db2.gz JAFFCXNFNWFDCX-KXBFYZLASA-N 2 1 298.430 3.987 20 0 CHADMP C[C@H](C[NH3+])[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000423334837 330191524 /nfs/dbraw/zinc/19/15/24/330191524.db2.gz SRZYDQJWZHTCGA-ABAIWWIYSA-N 2 1 266.816 3.508 20 0 CHADMP [NH3+]C1(C[NH2+][C@H]2CCCSc3ccc(Cl)cc32)CCC1 ZINC000423338286 330191729 /nfs/dbraw/zinc/19/17/29/330191729.db2.gz WACGZHNXOSIPKR-ZDUSSCGKSA-N 2 1 296.867 3.738 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1Cl ZINC000423352655 330193131 /nfs/dbraw/zinc/19/31/31/330193131.db2.gz ADMKGHFNUVQJEZ-ZYHUDNBSSA-N 2 1 287.234 3.786 20 0 CHADMP Clc1cccc2c1SCC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423355107 330193144 /nfs/dbraw/zinc/19/31/44/330193144.db2.gz DVVAUNPXEKWGPV-RISCZKNCSA-N 2 1 296.867 3.609 20 0 CHADMP CC(C)C[C@@H]([NH2+][C@@H](C)C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423362476 330194097 /nfs/dbraw/zinc/19/40/97/330194097.db2.gz IBPHSXZGWJRJPW-SMDDNHRTSA-N 2 1 288.357 3.729 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cc(Cl)ccc1Cl ZINC000423372559 330195342 /nfs/dbraw/zinc/19/53/42/330195342.db2.gz VYLYBZCZBSWWGZ-ZYHUDNBSSA-N 2 1 287.234 3.786 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000423401843 330196219 /nfs/dbraw/zinc/19/62/19/330196219.db2.gz XNNXTWXFJHGQJS-CKYFFXLPSA-N 2 1 287.234 3.785 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@H]2CC[NH2+][C@@H](C)C2)C2CCCC2)o1 ZINC000423404140 330196557 /nfs/dbraw/zinc/19/65/57/330196557.db2.gz YTQDDYMAVIEGEB-YLQAJVPDSA-N 2 1 276.424 3.549 20 0 CHADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423378081 330198827 /nfs/dbraw/zinc/19/88/27/330198827.db2.gz MDWBXPODQJRUHQ-NTZNESFSSA-N 2 1 295.496 3.540 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C(c2ccccc2)c2ccccc2)CC[NH2+]1 ZINC000423395376 330201018 /nfs/dbraw/zinc/20/10/18/330201018.db2.gz SRHZQSVBSRVQCV-MAUKXSAKSA-N 2 1 280.415 3.506 20 0 CHADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cccc(-c2ccccc2)c1 ZINC000423434575 330201166 /nfs/dbraw/zinc/20/11/66/330201166.db2.gz CZOMIAJSXBASKF-KKUMJFAQSA-N 2 1 268.404 3.740 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CCCSc2ccc(Cl)cc21)[C@H](C)[NH3+] ZINC000423444209 330201999 /nfs/dbraw/zinc/20/19/99/330201999.db2.gz LJVRDOWDEZVAJG-OPQQBVKSSA-N 2 1 284.856 3.592 20 0 CHADMP CC[C@H]([NH3+])C[NH2+][C@@H](CC)c1ccc(Cl)c(Cl)c1 ZINC000423461099 330204002 /nfs/dbraw/zinc/20/40/02/330204002.db2.gz JJWKCKHIFZAWFE-GWCFXTLKSA-N 2 1 275.223 3.771 20 0 CHADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000423464632 330204271 /nfs/dbraw/zinc/20/42/71/330204271.db2.gz MHXCPOFPSKHZST-YJBOKZPZSA-N 2 1 298.430 3.654 20 0 CHADMP CC[C@@H]([NH3+])C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000423471000 330205069 /nfs/dbraw/zinc/20/50/69/330205069.db2.gz PMULTLFKRHVVBG-BXUZGUMPSA-N 2 1 287.234 3.771 20 0 CHADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cc2ccccc2o1 ZINC000423534914 330210672 /nfs/dbraw/zinc/21/06/72/330210672.db2.gz WTITUKZCUHJTTR-SWLSCSKDSA-N 2 1 272.392 3.601 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433302091 330217134 /nfs/dbraw/zinc/21/71/34/330217134.db2.gz XAFSQGKNGZHSNA-WBVHZDCISA-N 2 1 292.854 3.614 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433302091 330217136 /nfs/dbraw/zinc/21/71/36/330217136.db2.gz XAFSQGKNGZHSNA-WBVHZDCISA-N 2 1 292.854 3.614 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433302091 330217138 /nfs/dbraw/zinc/21/71/38/330217138.db2.gz XAFSQGKNGZHSNA-WBVHZDCISA-N 2 1 292.854 3.614 20 0 CHADMP CC(C)[C@@H](C[NH2+]C[C@@H](C)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000527115811 330222692 /nfs/dbraw/zinc/22/26/92/330222692.db2.gz MRTNHZVFZQZDDY-CRAIPNDOSA-N 2 1 292.442 3.639 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+]CCCC(C)C)CC1 ZINC000527115844 330222853 /nfs/dbraw/zinc/22/28/53/330222853.db2.gz PRIRLNANMKMIFD-UHFFFAOYSA-N 2 1 288.479 3.985 20 0 CHADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000230770857 330236112 /nfs/dbraw/zinc/23/61/12/330236112.db2.gz IWRRPFUUXYSGQF-YESZJQIVSA-N 2 1 266.473 3.523 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000536852970 330251065 /nfs/dbraw/zinc/25/10/65/330251065.db2.gz RDNPCMNWDZXMBA-HNAYVOBHSA-N 2 1 297.446 3.959 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527629005 330266722 /nfs/dbraw/zinc/26/67/22/330266722.db2.gz JBWCLCKOAMJJQC-XPGWFJOJSA-N 2 1 298.474 3.675 20 0 CHADMP Cc1cccc([C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C(C)C)c1 ZINC000527861671 330285061 /nfs/dbraw/zinc/28/50/61/330285061.db2.gz MTCMYRQQJOYDFG-AEFFLSMTSA-N 2 1 274.452 3.624 20 0 CHADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(C)ccc1C ZINC000527849587 330288213 /nfs/dbraw/zinc/28/82/13/330288213.db2.gz VDKRWIVCQIRPQZ-LJQANCHMSA-N 2 1 286.463 3.971 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)[C@H]2CC23CC3)cc1F ZINC000527851840 330288450 /nfs/dbraw/zinc/28/84/50/330288450.db2.gz MWPYADKNAMARJM-IUODEOHRSA-N 2 1 299.393 3.598 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CC23CC3)c1 ZINC000527854444 330288735 /nfs/dbraw/zinc/28/87/35/330288735.db2.gz SLHRBAUDHJDYEM-YJBOKZPZSA-N 2 1 286.463 3.805 20 0 CHADMP CC(C)c1cccc([C@H](C)[NH2+][C@H]2CCc3[nH]cnc3C2)c1 ZINC000527898834 330293109 /nfs/dbraw/zinc/29/31/09/330293109.db2.gz IVPJXAMEKKIYDL-BBRMVZONSA-N 2 1 283.419 3.741 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C1CCC1)C1CCC1 ZINC000527926085 330296580 /nfs/dbraw/zinc/29/65/80/330296580.db2.gz OJVUDAGHJLLYLJ-QWQRMKEZSA-N 2 1 278.484 3.521 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000424188950 330322006 /nfs/dbraw/zinc/32/20/06/330322006.db2.gz CTQVFVMBMJQVCC-XFWGSAIBSA-N 2 1 298.474 3.818 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000424188950 330322007 /nfs/dbraw/zinc/32/20/07/330322007.db2.gz CTQVFVMBMJQVCC-XFWGSAIBSA-N 2 1 298.474 3.818 20 0 CHADMP CCCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534929 330329935 /nfs/dbraw/zinc/32/99/35/330329935.db2.gz WJJLQZXHTXKZKN-DOTOQJQBSA-N 2 1 274.452 3.632 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C2CCC2)C[C@H]1c1ccccc1 ZINC000424325023 330341141 /nfs/dbraw/zinc/34/11/41/330341141.db2.gz KRPKFPZOOCQORV-OKYOBFRVSA-N 2 1 284.447 3.600 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C2CCC2)C[C@H]1c1ccccc1 ZINC000424325023 330341142 /nfs/dbraw/zinc/34/11/42/330341142.db2.gz KRPKFPZOOCQORV-OKYOBFRVSA-N 2 1 284.447 3.600 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C2CCC2)C[C@H]1c1ccccc1 ZINC000424325019 330341221 /nfs/dbraw/zinc/34/12/21/330341221.db2.gz KRPKFPZOOCQORV-HCXYKTFWSA-N 2 1 284.447 3.600 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C2CCC2)C[C@H]1c1ccccc1 ZINC000424325019 330341222 /nfs/dbraw/zinc/34/12/22/330341222.db2.gz KRPKFPZOOCQORV-HCXYKTFWSA-N 2 1 284.447 3.600 20 0 CHADMP CCSc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424373942 330348260 /nfs/dbraw/zinc/34/82/60/330348260.db2.gz KJCCJIHGJCSBCW-APHBMKBZSA-N 2 1 278.465 3.719 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(Cl)s1 ZINC000424370688 330348301 /nfs/dbraw/zinc/34/83/01/330348301.db2.gz DXTXVJVXGKYDGE-GMTAPVOTSA-N 2 1 272.845 3.712 20 0 CHADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000045692178 330348810 /nfs/dbraw/zinc/34/88/10/330348810.db2.gz IFNXLNMGJSYSAQ-NFOMZHRRSA-N 2 1 294.870 3.906 20 0 CHADMP C[C@@H]1CC2(C[N@H+]1Cc1cccc(C3CC3)c1)CC[NH2+]CC2 ZINC000424382371 330349387 /nfs/dbraw/zinc/34/93/87/330349387.db2.gz SBDXMEVGKZSCRU-OAHLLOKOSA-N 2 1 284.447 3.528 20 0 CHADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000424384291 330349537 /nfs/dbraw/zinc/34/95/37/330349537.db2.gz VHHBETSPSOSDMS-IAGOWNOFSA-N 2 1 286.444 3.775 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)c(F)c1 ZINC000212785105 330367356 /nfs/dbraw/zinc/36/73/56/330367356.db2.gz MIRWXKCCARMSDT-GVXVVHGQSA-N 2 1 284.806 3.612 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)c(F)c1 ZINC000212785105 330367357 /nfs/dbraw/zinc/36/73/57/330367357.db2.gz MIRWXKCCARMSDT-GVXVVHGQSA-N 2 1 284.806 3.612 20 0 CHADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841360 330368220 /nfs/dbraw/zinc/36/82/20/330368220.db2.gz ZFNGZXXUYJZAFD-QWHCGFSZSA-N 2 1 298.833 3.814 20 0 CHADMP C[C@@H](c1ccc(F)c(Cl)c1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841360 330368221 /nfs/dbraw/zinc/36/82/21/330368221.db2.gz ZFNGZXXUYJZAFD-QWHCGFSZSA-N 2 1 298.833 3.814 20 0 CHADMP C[C@@H](c1ccc(F)c(Cl)c1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841360 330368222 /nfs/dbraw/zinc/36/82/22/330368222.db2.gz ZFNGZXXUYJZAFD-QWHCGFSZSA-N 2 1 298.833 3.814 20 0 CHADMP CC(C)CC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CCC1 ZINC000119300315 330371814 /nfs/dbraw/zinc/37/18/14/330371814.db2.gz XATFAQAYZVTNRD-BZUAXINKSA-N 2 1 266.473 3.521 20 0 CHADMP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119661308 330378297 /nfs/dbraw/zinc/37/82/97/330378297.db2.gz LNQODGBCOQPARQ-MAUKXSAKSA-N 2 1 278.484 3.808 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CC=CCC2)cc1 ZINC000090035956 330389945 /nfs/dbraw/zinc/38/99/45/330389945.db2.gz ZZVLOMXORVTNAC-PBHICJAKSA-N 2 1 281.403 3.940 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000090964342 330397295 /nfs/dbraw/zinc/39/72/95/330397295.db2.gz NSNHKKMVHSZSBZ-XHSVMWQWSA-N 2 1 290.426 3.521 20 0 CHADMP COCCC1(C[NH2+]CC[NH+](C(C)C)C(C)C)CCCCC1 ZINC000436282722 330673199 /nfs/dbraw/zinc/67/31/99/330673199.db2.gz UFTYBUBAVOUXBI-UHFFFAOYSA-N 2 1 298.515 3.682 20 0 CHADMP CC(C)[NH+](CC[NH2+]C1CCC(C(F)F)CC1)C(C)C ZINC000442636648 330777761 /nfs/dbraw/zinc/77/77/61/330777761.db2.gz UPZSSEXAVDDQQZ-UHFFFAOYSA-N 2 1 276.415 3.519 20 0 CHADMP CC[C@@H](C[NH2+]CC[C@H](C)c1ccccc1)[NH+]1CCCC1 ZINC000447820441 330877871 /nfs/dbraw/zinc/87/78/71/330877871.db2.gz GYFBVLLIXNEUPL-WMZOPIPTSA-N 2 1 274.452 3.644 20 0 CHADMP Cc1cccc(N2CCC([NH2+][C@H](C)CC(C)(C)C)CC2)[nH+]1 ZINC000449144023 330901636 /nfs/dbraw/zinc/90/16/36/330901636.db2.gz RWZIXYPPWZGZIT-OAHLLOKOSA-N 2 1 289.467 3.773 20 0 CHADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H](C)C1CCSCC1 ZINC000449383347 330921307 /nfs/dbraw/zinc/92/13/07/330921307.db2.gz GRAJCJUBNIVKMT-WBVHZDCISA-N 2 1 298.540 3.618 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc(C2CC2)c1 ZINC000451108992 331015806 /nfs/dbraw/zinc/01/58/06/331015806.db2.gz AYXOLXYLGUJHFN-KSSFIOAISA-N 2 1 272.436 3.699 20 0 CHADMP CC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccsc1 ZINC000453229627 331104294 /nfs/dbraw/zinc/10/42/94/331104294.db2.gz VGRAKUYFYNYGFS-UYSNPLJNSA-N 2 1 278.465 3.806 20 0 CHADMP CC[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000453304216 331113670 /nfs/dbraw/zinc/11/36/70/331113670.db2.gz FMVNLVBZCNWRBL-NQYYFHDYSA-N 2 1 286.463 3.533 20 0 CHADMP CC[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000453304216 331113671 /nfs/dbraw/zinc/11/36/71/331113671.db2.gz FMVNLVBZCNWRBL-NQYYFHDYSA-N 2 1 286.463 3.533 20 0 CHADMP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccccc1F ZINC000453389321 331126956 /nfs/dbraw/zinc/12/69/56/331126956.db2.gz CBSNXSGMYOMAMH-KRWDZBQOSA-N 2 1 278.415 3.741 20 0 CHADMP Cc1ccsc1[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453390704 331127280 /nfs/dbraw/zinc/12/72/80/331127280.db2.gz DFDPCWVFAKKSNU-ZDUSSCGKSA-N 2 1 266.454 3.582 20 0 CHADMP C[C@@H](CCc1ccsc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453398618 331128336 /nfs/dbraw/zinc/12/83/36/331128336.db2.gz KRQNFMFOCULWHA-AWEZNQCLSA-N 2 1 280.481 3.533 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@H]1CCCCC12CCCC2)C1CC1 ZINC000453403302 331129032 /nfs/dbraw/zinc/12/90/32/331129032.db2.gz OEJLNXPKPXYSSF-KRWDZBQOSA-N 2 1 278.484 3.953 20 0 CHADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453404731 331129165 /nfs/dbraw/zinc/12/91/65/331129165.db2.gz PPDFDSBZWONCON-DLBZAZTESA-N 2 1 266.473 3.665 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C2=CCCC2)[C@@H]2CCC[C@H]21 ZINC000453405955 331129388 /nfs/dbraw/zinc/12/93/88/331129388.db2.gz SWPKFPIRKKVVHF-YESZJQIVSA-N 2 1 276.468 3.585 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCC12CCCCC2)C1CC1 ZINC000453409484 331129688 /nfs/dbraw/zinc/12/96/88/331129688.db2.gz UJHOXDUTAIKCTI-QGZVFWFLSA-N 2 1 278.484 3.953 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@H]1c1ccccc1)C1CC1 ZINC000453421018 331130704 /nfs/dbraw/zinc/13/07/04/331130704.db2.gz ZZWBJZQESZCXHA-RBUKOAKNSA-N 2 1 286.463 3.787 20 0 CHADMP C[N@@H+](CCCC[NH2+]Cc1csc2ccccc12)C1CC1 ZINC000453604228 331136021 /nfs/dbraw/zinc/13/60/21/331136021.db2.gz YEWSZELXMWLKGC-UHFFFAOYSA-N 2 1 288.460 3.865 20 0 CHADMP Cc1[nH]c2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2c1C ZINC000459384901 331279478 /nfs/dbraw/zinc/27/94/78/331279478.db2.gz ISRRUMAIFIDUNO-UHFFFAOYSA-N 2 1 297.446 3.501 20 0 CHADMP CC(C)C1CCC([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000459722811 331295789 /nfs/dbraw/zinc/29/57/89/331295789.db2.gz CANYOZVNWJWVFN-KLAILNCOSA-N 2 1 266.473 3.523 20 0 CHADMP CC1(C)[C@@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H]1c1ccccc1 ZINC000459724441 331295858 /nfs/dbraw/zinc/29/58/58/331295858.db2.gz YSLFIJXYYHYBQG-VJANTYMQSA-N 2 1 298.474 3.643 20 0 CHADMP CC(C)C1CCC([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000459722809 331295885 /nfs/dbraw/zinc/29/58/85/331295885.db2.gz CANYOZVNWJWVFN-GTPINHCMSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@@H](CCC1CCCC1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459727060 331296129 /nfs/dbraw/zinc/29/61/29/331296129.db2.gz CCVHETRXRAHRMD-RDJZCZTQSA-N 2 1 266.473 3.667 20 0 CHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000459726830 331296138 /nfs/dbraw/zinc/29/61/38/331296138.db2.gz BVIOYAJEEHPROY-BHIYHBOVSA-N 2 1 286.463 3.644 20 0 CHADMP Cc1cccc(CC[C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000459729685 331296359 /nfs/dbraw/zinc/29/63/59/331296359.db2.gz DILDNPYRCFKHIX-MJGOQNOKSA-N 2 1 288.479 3.638 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000459735760 331296896 /nfs/dbraw/zinc/29/68/96/331296896.db2.gz POKLLAHPMDTXER-KGLIPLIRSA-N 2 1 280.843 3.723 20 0 CHADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459775999 331300279 /nfs/dbraw/zinc/30/02/79/331300279.db2.gz JTLRHKAIXDJQOW-ZBFHGGJFSA-N 2 1 294.870 3.593 20 0 CHADMP CCC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000459800597 331301526 /nfs/dbraw/zinc/30/15/26/331301526.db2.gz ZUMVXXOSWIECOV-DOTOQJQBSA-N 2 1 266.473 3.667 20 0 CHADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459797928 331301589 /nfs/dbraw/zinc/30/15/89/331301589.db2.gz XGHOEMKGIJKEBM-MOPGFXCFSA-N 2 1 288.479 3.638 20 0 CHADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000166088619 331306764 /nfs/dbraw/zinc/30/67/64/331306764.db2.gz GYWXZQZCHBRBHL-OTWHNJEPSA-N 2 1 286.463 3.643 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000461380831 331312548 /nfs/dbraw/zinc/31/25/48/331312548.db2.gz WRTVFQHPANIJBN-MRXNPFEDSA-N 2 1 282.431 3.532 20 0 CHADMP C[C@@H]1C[C@H](CC[NH2+]C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC000466359502 331393354 /nfs/dbraw/zinc/39/33/54/331393354.db2.gz OQODJKNEYLZAGG-CABCVRRESA-N 2 1 266.473 3.523 20 0 CHADMP C[C@H](C[NH+]1CCCCCC1)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000479607698 331740392 /nfs/dbraw/zinc/74/03/92/331740392.db2.gz VHHVXDUUQCTNNY-NZSAHSFTSA-N 2 1 286.463 3.644 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000488449047 332010224 /nfs/dbraw/zinc/01/02/24/332010224.db2.gz OMGVIBYKJAIXSW-BZUAXINKSA-N 2 1 298.540 3.617 20 0 CHADMP C[NH+](CCC[N@H+](C)C(C1CC1)C1CC1)C(C1CC1)C1CC1 ZINC000488671412 332021238 /nfs/dbraw/zinc/02/12/38/332021238.db2.gz SXTXTBOQOUXUMG-UHFFFAOYSA-N 2 1 290.495 3.617 20 0 CHADMP C(C[NH+]1C[C@H]2CCCC[C@@H]2C1)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000489356390 332048472 /nfs/dbraw/zinc/04/84/72/332048472.db2.gz DUUZPDVZKQEWHP-MKXGPGLRSA-N 2 1 290.495 3.621 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)CCC2 ZINC000490228095 332085208 /nfs/dbraw/zinc/08/52/08/332085208.db2.gz YTXUAEIGBBBYMV-LVFSCSRESA-N 2 1 286.463 3.691 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H](C)c2ccccc2)[C@H](C)C1 ZINC000248822363 334318436 /nfs/dbraw/zinc/31/84/36/334318436.db2.gz FFXFFSUGPMLJJY-SCTDSRPQSA-N 2 1 288.479 3.842 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H](C)c2ccccc2)[C@H](C)C1 ZINC000248822363 334318439 /nfs/dbraw/zinc/31/84/39/334318439.db2.gz FFXFFSUGPMLJJY-SCTDSRPQSA-N 2 1 288.479 3.842 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H](C)c2ccccc2)[C@H](C)C1 ZINC000248822363 334318441 /nfs/dbraw/zinc/31/84/41/334318441.db2.gz FFXFFSUGPMLJJY-SCTDSRPQSA-N 2 1 288.479 3.842 20 0 CHADMP CC[C@H]1C[C@]1([NH2+]CCCn1cc[nH+]c1C)c1cccc(C)c1 ZINC000502596068 332667048 /nfs/dbraw/zinc/66/70/48/332667048.db2.gz ZHICVQVPCMMHRZ-PKOBYXMFSA-N 2 1 297.446 3.805 20 0 CHADMP C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000513525195 333024157 /nfs/dbraw/zinc/02/41/57/333024157.db2.gz JWUDVCSDMFTHDG-MKLFLIHKSA-N 2 1 292.854 3.816 20 0 CHADMP C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000513525194 333024200 /nfs/dbraw/zinc/02/42/00/333024200.db2.gz JWUDVCSDMFTHDG-DYZPHHRXSA-N 2 1 292.854 3.816 20 0 CHADMP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c(C)c1 ZINC000513652794 333029428 /nfs/dbraw/zinc/02/94/28/333029428.db2.gz BWAYTYXBLXGLJF-BHIYHBOVSA-N 2 1 286.463 3.574 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000513737022 333036685 /nfs/dbraw/zinc/03/66/85/333036685.db2.gz RVRBOBZOCSOHEY-UHFFFAOYSA-N 2 1 294.870 3.730 20 0 CHADMP CC(C)CC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309691415 333047464 /nfs/dbraw/zinc/04/74/64/333047464.db2.gz CYQFNLWNMVJARZ-MJGOQNOKSA-N 2 1 288.479 3.923 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000513966171 333056156 /nfs/dbraw/zinc/05/61/56/333056156.db2.gz MMXCGULZWIUDGF-SFHVURJKSA-N 2 1 274.452 3.864 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C1CC1 ZINC000177371304 333058216 /nfs/dbraw/zinc/05/82/16/333058216.db2.gz HPOISCQFILAHMA-NOLJZWGESA-N 2 1 278.465 3.519 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CC1 ZINC000177371304 333058218 /nfs/dbraw/zinc/05/82/18/333058218.db2.gz HPOISCQFILAHMA-NOLJZWGESA-N 2 1 278.465 3.519 20 0 CHADMP CC[C@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)c1c(C)noc1C ZINC000516855097 333084273 /nfs/dbraw/zinc/08/42/73/333084273.db2.gz SUAHCKLUMJPCDO-KCXAZCMYSA-N 2 1 293.455 3.643 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2c3ccccc3CCC[C@H]2C)CC[N@@H+]1C ZINC000185285863 333138164 /nfs/dbraw/zinc/13/81/64/333138164.db2.gz FVEWWYUAQRGRLI-FXRXJOCMSA-N 2 1 286.463 3.772 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2c3ccccc3CCC[C@H]2C)CC[N@H+]1C ZINC000185285863 333138165 /nfs/dbraw/zinc/13/81/65/333138165.db2.gz FVEWWYUAQRGRLI-FXRXJOCMSA-N 2 1 286.463 3.772 20 0 CHADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000186104777 333155092 /nfs/dbraw/zinc/15/50/92/333155092.db2.gz XWMDNTQVDOHRPN-LPHOPBHVSA-N 2 1 298.474 3.755 20 0 CHADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)C1CCSCC1 ZINC000186961163 333166754 /nfs/dbraw/zinc/16/67/54/333166754.db2.gz QRJROJLNIANKNL-OAHLLOKOSA-N 2 1 298.540 3.762 20 0 CHADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000223066104 333203862 /nfs/dbraw/zinc/20/38/62/333203862.db2.gz LRXHZLUPVROPOL-UONOGXRCSA-N 2 1 282.859 3.591 20 0 CHADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000223066104 333203864 /nfs/dbraw/zinc/20/38/64/333203864.db2.gz LRXHZLUPVROPOL-UONOGXRCSA-N 2 1 282.859 3.591 20 0 CHADMP c1ccc([C@@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)cc1 ZINC000193462147 333250726 /nfs/dbraw/zinc/25/07/26/333250726.db2.gz CBNXOWWBZVAVMZ-SFHVURJKSA-N 2 1 272.436 3.700 20 0 CHADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CC(c2ccccc2C)C1 ZINC000228819925 333297455 /nfs/dbraw/zinc/29/74/55/333297455.db2.gz CWBWEZGABRANDX-KLAILNCOSA-N 2 1 274.452 3.561 20 0 CHADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CC(c2ccccc2C)C1 ZINC000228819925 333297457 /nfs/dbraw/zinc/29/74/57/333297457.db2.gz CWBWEZGABRANDX-KLAILNCOSA-N 2 1 274.452 3.561 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1CCSCC1 ZINC000250063999 333302110 /nfs/dbraw/zinc/30/21/10/333302110.db2.gz NHJMVFMTNYLCHB-HZPDHXFCSA-N 2 1 298.540 3.762 20 0 CHADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(Cl)c3Cl)C[C@@H]21 ZINC000230127119 333314783 /nfs/dbraw/zinc/31/47/83/333314783.db2.gz LZZGIGLVRVUTOS-VHRBIJSZSA-N 2 1 299.245 3.553 20 0 CHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(Cl)c3Cl)C[C@@H]21 ZINC000230127119 333314784 /nfs/dbraw/zinc/31/47/84/333314784.db2.gz LZZGIGLVRVUTOS-VHRBIJSZSA-N 2 1 299.245 3.553 20 0 CHADMP Cc1ccc([C@H]([NH2+]CCn2cc[nH+]c2C)C2CCCC2)o1 ZINC000543600676 333883424 /nfs/dbraw/zinc/88/34/24/333883424.db2.gz BXMOYRJEISOJTF-QGZVFWFLSA-N 2 1 287.407 3.614 20 0 CHADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(SC)cc2)C1 ZINC000174955144 335169933 /nfs/dbraw/zinc/16/99/33/335169933.db2.gz INONKKPJELYERS-MRXNPFEDSA-N 2 1 292.492 3.572 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(SC)cc2)C1 ZINC000174955144 335169935 /nfs/dbraw/zinc/16/99/35/335169935.db2.gz INONKKPJELYERS-MRXNPFEDSA-N 2 1 292.492 3.572 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(SC)cc2)C1 ZINC000174955144 335169937 /nfs/dbraw/zinc/16/99/37/335169937.db2.gz INONKKPJELYERS-MRXNPFEDSA-N 2 1 292.492 3.572 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(SC)cc2)C1 ZINC000174955144 335169939 /nfs/dbraw/zinc/16/99/39/335169939.db2.gz INONKKPJELYERS-MRXNPFEDSA-N 2 1 292.492 3.572 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000076001515 334065927 /nfs/dbraw/zinc/06/59/27/334065927.db2.gz NKISXFISDZQGOS-DLBZAZTESA-N 2 1 274.452 3.720 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000076001552 334065964 /nfs/dbraw/zinc/06/59/64/334065964.db2.gz NGXXPTWTQRWAJC-GJZGRUSLSA-N 2 1 278.415 3.550 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000076001552 334065965 /nfs/dbraw/zinc/06/59/65/334065965.db2.gz NGXXPTWTQRWAJC-GJZGRUSLSA-N 2 1 278.415 3.550 20 0 CHADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccccc3)o2)C1 ZINC000237050745 334080204 /nfs/dbraw/zinc/08/02/04/334080204.db2.gz CCDNVFVOMLNFAD-SJORKVTESA-N 2 1 298.430 3.909 20 0 CHADMP C(C1CCCCC1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134862524 334105970 /nfs/dbraw/zinc/10/59/70/334105970.db2.gz DQADZARDUDACJO-SJLPKXTDSA-N 2 1 276.468 3.515 20 0 CHADMP C(C1CCCCC1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134862524 334105972 /nfs/dbraw/zinc/10/59/72/334105972.db2.gz DQADZARDUDACJO-SJLPKXTDSA-N 2 1 276.468 3.515 20 0 CHADMP C(C1CCCCC1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134862524 334105973 /nfs/dbraw/zinc/10/59/73/334105973.db2.gz DQADZARDUDACJO-SJLPKXTDSA-N 2 1 276.468 3.515 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CC1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547826582 334123556 /nfs/dbraw/zinc/12/35/56/334123556.db2.gz HBWRLMVHAZRYCL-JQHSSLGASA-N 2 1 286.463 3.533 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CC1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547826583 334123627 /nfs/dbraw/zinc/12/36/27/334123627.db2.gz HBWRLMVHAZRYCL-RYQLBKOJSA-N 2 1 286.463 3.533 20 0 CHADMP CC[C@H](C[NH2+][C@H](C)C[NH+](CC)CC)c1ccccc1 ZINC000135612175 334134486 /nfs/dbraw/zinc/13/44/86/334134486.db2.gz NOBGQEIMYKOTND-HZPDHXFCSA-N 2 1 262.441 3.500 20 0 CHADMP CCN1CCC([N@@H+](C)Cc2ccc(Cl)cc2C)CC1 ZINC000136150419 334148139 /nfs/dbraw/zinc/14/81/39/334148139.db2.gz CEPCKIHZECSGMT-UHFFFAOYSA-N 2 1 280.843 3.565 20 0 CHADMP CC[NH+]1CCC(N(C)Cc2ccc(Cl)cc2C)CC1 ZINC000136150419 334148141 /nfs/dbraw/zinc/14/81/41/334148141.db2.gz CEPCKIHZECSGMT-UHFFFAOYSA-N 2 1 280.843 3.565 20 0 CHADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2C)CC1 ZINC000136150419 334148143 /nfs/dbraw/zinc/14/81/43/334148143.db2.gz CEPCKIHZECSGMT-UHFFFAOYSA-N 2 1 280.843 3.565 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2C)CC1 ZINC000136150419 334148145 /nfs/dbraw/zinc/14/81/45/334148145.db2.gz CEPCKIHZECSGMT-UHFFFAOYSA-N 2 1 280.843 3.565 20 0 CHADMP CC[C@@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1)[NH+]1CCCC1 ZINC000549143924 334186509 /nfs/dbraw/zinc/18/65/09/334186509.db2.gz UGFNAUOMXOPDBD-BVBHFADKSA-N 2 1 286.463 3.643 20 0 CHADMP CC[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)[NH+]1CCCC1 ZINC000549143940 334186555 /nfs/dbraw/zinc/18/65/55/334186555.db2.gz UGFNAUOMXOPDBD-NQYYFHDYSA-N 2 1 286.463 3.643 20 0 CHADMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](CC)c2ccc(F)cc2)C1 ZINC000081584716 334198261 /nfs/dbraw/zinc/19/82/61/334198261.db2.gz NGWBJZOKEICMTD-YJBOKZPZSA-N 2 1 292.442 3.941 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](CC)c2ccc(F)cc2)C1 ZINC000081584716 334198262 /nfs/dbraw/zinc/19/82/62/334198262.db2.gz NGWBJZOKEICMTD-YJBOKZPZSA-N 2 1 292.442 3.941 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](CC)c2ccc(F)cc2)C1 ZINC000081584716 334198264 /nfs/dbraw/zinc/19/82/64/334198264.db2.gz NGWBJZOKEICMTD-YJBOKZPZSA-N 2 1 292.442 3.941 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](CC)c2ccc(F)cc2)C1 ZINC000081584716 334198265 /nfs/dbraw/zinc/19/82/65/334198265.db2.gz NGWBJZOKEICMTD-YJBOKZPZSA-N 2 1 292.442 3.941 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1C[C@@H](C)c2c1cccc2C ZINC000245506017 334198365 /nfs/dbraw/zinc/19/83/65/334198365.db2.gz NBTSRKQPMIVBFS-JOQOYGCGSA-N 2 1 297.446 3.974 20 0 CHADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000245508009 334198671 /nfs/dbraw/zinc/19/86/71/334198671.db2.gz QZTORFPEBDFYCF-RKVPGOIHSA-N 2 1 284.447 3.617 20 0 CHADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C)c1ccccc1 ZINC000246987493 334273422 /nfs/dbraw/zinc/27/34/22/334273422.db2.gz KNRFFKASCPMWMV-JFIYKMOQSA-N 2 1 274.452 3.500 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C)cc2C)C1 ZINC000247000378 334273751 /nfs/dbraw/zinc/27/37/51/334273751.db2.gz KRFGQEGXPQBAGA-IAGOWNOFSA-N 2 1 274.452 3.686 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]C2CCCCC2)C[C@H]1c1ccccc1 ZINC000550996311 334235765 /nfs/dbraw/zinc/23/57/65/334235765.db2.gz RINJRTICHNDLIX-ROUUACIJSA-N 2 1 272.436 3.744 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C2CCCCC2)C[C@H]1c1ccccc1 ZINC000550996311 334235766 /nfs/dbraw/zinc/23/57/66/334235766.db2.gz RINJRTICHNDLIX-ROUUACIJSA-N 2 1 272.436 3.744 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000551007947 334236236 /nfs/dbraw/zinc/23/62/36/334236236.db2.gz QXVUAMPQWLZSTP-DLBZAZTESA-N 2 1 274.452 3.848 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CCC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000551007947 334236237 /nfs/dbraw/zinc/23/62/37/334236237.db2.gz QXVUAMPQWLZSTP-DLBZAZTESA-N 2 1 274.452 3.848 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C[C@@H]1c1ccccc1 ZINC000551176370 334240089 /nfs/dbraw/zinc/24/00/89/334240089.db2.gz SYYSYQVCKKZILW-QZTJIDSGSA-N 2 1 286.463 3.848 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C[C@@H]1c1ccccc1 ZINC000551176370 334240090 /nfs/dbraw/zinc/24/00/90/334240090.db2.gz SYYSYQVCKKZILW-QZTJIDSGSA-N 2 1 286.463 3.848 20 0 CHADMP CC1=CC[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000551268312 334244297 /nfs/dbraw/zinc/24/42/97/334244297.db2.gz VHIKRBGYTFBYGZ-DLBZAZTESA-N 2 1 264.457 3.587 20 0 CHADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3F)CC2)C1 ZINC000551309133 334246393 /nfs/dbraw/zinc/24/63/93/334246393.db2.gz ZPSWHTJVTYNZGZ-QSPRXWTASA-N 2 1 282.447 3.510 20 0 CHADMP FCCCCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000551387066 334248782 /nfs/dbraw/zinc/24/87/82/334248782.db2.gz OABSRSDHOCZYOT-KRWDZBQOSA-N 2 1 284.463 3.714 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(C(C)C)C(C)C)C1 ZINC000551806888 334262609 /nfs/dbraw/zinc/26/26/09/334262609.db2.gz YUQSYAMOAKUGAX-INIZCTEOSA-N 2 1 268.489 3.578 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(C(C)C)C(C)C)C1 ZINC000551806888 334262610 /nfs/dbraw/zinc/26/26/10/334262610.db2.gz YUQSYAMOAKUGAX-INIZCTEOSA-N 2 1 268.489 3.578 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(C(C)C)C(C)C)C1 ZINC000551806888 334262612 /nfs/dbraw/zinc/26/26/12/334262612.db2.gz YUQSYAMOAKUGAX-INIZCTEOSA-N 2 1 268.489 3.578 20 0 CHADMP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000246759097 334269158 /nfs/dbraw/zinc/26/91/58/334269158.db2.gz QPJRXPDBRWFOPC-GUYCJALGSA-N 2 1 292.854 3.601 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000246759097 334269159 /nfs/dbraw/zinc/26/91/59/334269159.db2.gz QPJRXPDBRWFOPC-GUYCJALGSA-N 2 1 292.854 3.601 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000246759097 334269161 /nfs/dbraw/zinc/26/91/61/334269161.db2.gz QPJRXPDBRWFOPC-GUYCJALGSA-N 2 1 292.854 3.601 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000246759097 334269163 /nfs/dbraw/zinc/26/91/63/334269163.db2.gz QPJRXPDBRWFOPC-GUYCJALGSA-N 2 1 292.854 3.601 20 0 CHADMP CC(C)CC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CCC1 ZINC000247231541 334278027 /nfs/dbraw/zinc/27/80/27/334278027.db2.gz XATFAQAYZVTNRD-ARFHVFGLSA-N 2 1 266.473 3.521 20 0 CHADMP C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCC[NH+]1CCCCC1 ZINC000247314169 334279022 /nfs/dbraw/zinc/27/90/22/334279022.db2.gz RKTDNHKLLDEOKO-BRWVUGGUSA-N 2 1 264.457 3.515 20 0 CHADMP C[C@@H](c1cc2ccccc2o1)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000247446552 334281593 /nfs/dbraw/zinc/28/15/93/334281593.db2.gz YFYOXQADFFOHCO-GOEBONIOSA-N 2 1 286.419 3.910 20 0 CHADMP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000247446552 334281595 /nfs/dbraw/zinc/28/15/95/334281595.db2.gz YFYOXQADFFOHCO-GOEBONIOSA-N 2 1 286.419 3.910 20 0 CHADMP C[C@@H](c1cc2ccccc2o1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000247446552 334281596 /nfs/dbraw/zinc/28/15/96/334281596.db2.gz YFYOXQADFFOHCO-GOEBONIOSA-N 2 1 286.419 3.910 20 0 CHADMP C[C@@H](c1cc2ccccc2o1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000247446552 334281598 /nfs/dbraw/zinc/28/15/98/334281598.db2.gz YFYOXQADFFOHCO-GOEBONIOSA-N 2 1 286.419 3.910 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248406661 334300304 /nfs/dbraw/zinc/30/03/04/334300304.db2.gz SRSNCUSBUFXBTA-JONQDZQNSA-N 2 1 266.473 3.664 20 0 CHADMP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1Cl ZINC000248412040 334300511 /nfs/dbraw/zinc/30/05/11/334300511.db2.gz JAAPXWULQYUZIK-ZFWWWQNUSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1Cl ZINC000248412040 334300513 /nfs/dbraw/zinc/30/05/13/334300513.db2.gz JAAPXWULQYUZIK-ZFWWWQNUSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1Cl ZINC000248412040 334300514 /nfs/dbraw/zinc/30/05/14/334300514.db2.gz JAAPXWULQYUZIK-ZFWWWQNUSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1Cl ZINC000248412040 334300516 /nfs/dbraw/zinc/30/05/16/334300516.db2.gz JAAPXWULQYUZIK-ZFWWWQNUSA-N 2 1 280.843 3.563 20 0 CHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccoc1 ZINC000248410545 334300532 /nfs/dbraw/zinc/30/05/32/334300532.db2.gz YCSOCGXYONDSHA-KKUMJFAQSA-N 2 1 276.424 3.583 20 0 CHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccoc1 ZINC000248410545 334300534 /nfs/dbraw/zinc/30/05/34/334300534.db2.gz YCSOCGXYONDSHA-KKUMJFAQSA-N 2 1 276.424 3.583 20 0 CHADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000552225800 334305430 /nfs/dbraw/zinc/30/54/30/334305430.db2.gz OKSOMHYUEVBNAG-IKGGRYGDSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000552246187 334307895 /nfs/dbraw/zinc/30/78/95/334307895.db2.gz MEJKOXXIWIHSAN-WBVHZDCISA-N 2 1 292.854 3.565 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccccc2SC)C1 ZINC000249547264 334336074 /nfs/dbraw/zinc/33/60/74/334336074.db2.gz KHYKGCKTEUJKCT-HUUCEWRRSA-N 2 1 292.492 3.791 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000552745273 334343847 /nfs/dbraw/zinc/34/38/47/334343847.db2.gz MNDBJGGHXWOSMR-KDOFPFPSSA-N 2 1 290.426 3.598 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC000250607120 334347046 /nfs/dbraw/zinc/34/70/46/334347046.db2.gz LOBWDUYAABQIDW-QRQLOZEOSA-N 2 1 286.463 3.644 20 0 CHADMP CC(C)CC(CC(C)C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251441209 334361657 /nfs/dbraw/zinc/36/16/57/334361657.db2.gz VIJHZOKCTOVOJG-WBVHZDCISA-N 2 1 266.473 3.664 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000251467839 334361946 /nfs/dbraw/zinc/36/19/46/334361946.db2.gz JHXWZMUYSKAAJG-IAGOWNOFSA-N 2 1 274.452 3.910 20 0 CHADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)c2ccc3ccccc3c2)C1 ZINC000251509360 334362545 /nfs/dbraw/zinc/36/25/45/334362545.db2.gz HUMWSHVFQIWHNJ-CVEARBPZSA-N 2 1 282.431 3.832 20 0 CHADMP CC(C)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252674546 334385180 /nfs/dbraw/zinc/38/51/80/334385180.db2.gz RYFGHEVBWTYEHS-MSOLQXFVSA-N 2 1 272.436 3.526 20 0 CHADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccccc32)c2ccccc21 ZINC000252751789 334390282 /nfs/dbraw/zinc/39/02/82/334390282.db2.gz AGNDVKUMZFMNQG-QYZOEREBSA-N 2 1 278.399 3.798 20 0 CHADMP CC[C@@H](C)C[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000093062709 334442459 /nfs/dbraw/zinc/44/24/59/334442459.db2.gz IJZIRMOXIJBFON-OAHLLOKOSA-N 2 1 274.452 3.595 20 0 CHADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCC[C@H]2F)CC1 ZINC000556259837 334504697 /nfs/dbraw/zinc/50/46/97/334504697.db2.gz IYSZEZXZYGBLJS-PQEBFOHHSA-N 2 1 282.447 3.510 20 0 CHADMP CC(C)[NH2+]CCC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000567639516 334745040 /nfs/dbraw/zinc/74/50/40/334745040.db2.gz XAMIJUXEHNIGII-UHFFFAOYSA-N 2 1 280.415 3.734 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000273351260 334764895 /nfs/dbraw/zinc/76/48/95/334764895.db2.gz YOWXYQQQZLKITN-GFCCVEGCSA-N 2 1 285.416 3.757 20 0 CHADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Cl)cc1Cl ZINC000276660696 334804239 /nfs/dbraw/zinc/80/42/39/334804239.db2.gz NSRADXSCWBTRLF-JTQLQIEISA-N 2 1 298.217 3.620 20 0 CHADMP CC(C)C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000344299163 335246375 /nfs/dbraw/zinc/24/63/75/335246375.db2.gz OQTQVPVPYFWWNX-SFHVURJKSA-N 2 1 272.436 3.625 20 0 CHADMP CC1=CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000577394963 335347894 /nfs/dbraw/zinc/34/78/94/335347894.db2.gz HBULFIVSJOUFQF-OALUTQOASA-N 2 1 284.447 3.597 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCCCF)C2)s1 ZINC000581313443 336046772 /nfs/dbraw/zinc/04/67/72/336046772.db2.gz FZVCNTDFWQFBAV-OAHLLOKOSA-N 2 1 298.471 3.560 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCCCF)C2)s1 ZINC000581313443 336046773 /nfs/dbraw/zinc/04/67/73/336046773.db2.gz FZVCNTDFWQFBAV-OAHLLOKOSA-N 2 1 298.471 3.560 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCCCF)C2)s1 ZINC000581313443 336046774 /nfs/dbraw/zinc/04/67/74/336046774.db2.gz FZVCNTDFWQFBAV-OAHLLOKOSA-N 2 1 298.471 3.560 20 0 CHADMP CC(C)C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000381931676 336078476 /nfs/dbraw/zinc/07/84/76/336078476.db2.gz RXKZUOLDPUHDCS-GOSISDBHSA-N 2 1 274.452 3.534 20 0 CHADMP CC(C)CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)C(C)(C)C ZINC000581451986 336079665 /nfs/dbraw/zinc/07/96/65/336079665.db2.gz BORMPDUNHWPTPL-MRXNPFEDSA-N 2 1 266.473 3.689 20 0 CHADMP CC1(C)C[N@@H+](Cc2cccc3nccn32)[C@H]1c1cccs1 ZINC000581456628 336080168 /nfs/dbraw/zinc/08/01/68/336080168.db2.gz NCZSHEJPIIQDMF-INIZCTEOSA-N 2 1 297.427 3.979 20 0 CHADMP C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000354827968 534060159 /nfs/dbraw/zinc/06/01/59/534060159.db2.gz HCZJHYPSYYXKDE-KEYYUXOJSA-N 2 1 290.426 3.618 20 0 CHADMP C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000354827968 534060165 /nfs/dbraw/zinc/06/01/65/534060165.db2.gz HCZJHYPSYYXKDE-KEYYUXOJSA-N 2 1 290.426 3.618 20 0 CHADMP C[C@@H]1Cc2cc(F)ccc2[C@H](C)[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000354827968 534060168 /nfs/dbraw/zinc/06/01/68/534060168.db2.gz HCZJHYPSYYXKDE-KEYYUXOJSA-N 2 1 290.426 3.618 20 0 CHADMP C[C@@H]1Cc2cc(F)ccc2[C@H](C)[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000354827968 534060174 /nfs/dbraw/zinc/06/01/74/534060174.db2.gz HCZJHYPSYYXKDE-KEYYUXOJSA-N 2 1 290.426 3.618 20 0 CHADMP CC(C)[NH+]1CCC([N@H+](C)C/C=C/c2ccccc2)CC1 ZINC000263724179 519670348 /nfs/dbraw/zinc/67/03/48/519670348.db2.gz RJRAVEPAOMBLOX-JXMROGBWSA-N 2 1 272.436 3.504 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)C/C=C/c2ccccc2)CC1 ZINC000263724179 519670352 /nfs/dbraw/zinc/67/03/52/519670352.db2.gz RJRAVEPAOMBLOX-JXMROGBWSA-N 2 1 272.436 3.504 20 0 CHADMP CC(C)SCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340398170 519787635 /nfs/dbraw/zinc/78/76/35/519787635.db2.gz SZTSXCZPQLVGED-DLBZAZTESA-N 2 1 292.492 3.553 20 0 CHADMP CC(C)SCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340398170 519787636 /nfs/dbraw/zinc/78/76/36/519787636.db2.gz SZTSXCZPQLVGED-DLBZAZTESA-N 2 1 292.492 3.553 20 0 CHADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2sc(C)nc2C)CC1 ZINC000111361268 520577040 /nfs/dbraw/zinc/57/70/40/520577040.db2.gz JTOSDGOMLOTURN-CYBMUJFWSA-N 2 1 295.496 3.675 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000275782142 521580484 /nfs/dbraw/zinc/58/04/84/521580484.db2.gz XFNUFKKFCHDGMS-RTBURBONSA-N 2 1 286.463 3.571 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC000280173481 521582047 /nfs/dbraw/zinc/58/20/47/521582047.db2.gz GFDMJSFDQHUDAN-YJBOKZPZSA-N 2 1 290.426 3.536 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](c2ccc(C)cc2)C2CC2)CC1 ZINC000038098146 521582987 /nfs/dbraw/zinc/58/29/87/521582987.db2.gz DYHLSQGTNNONRE-GOSISDBHSA-N 2 1 272.436 3.520 20 0 CHADMP CCSCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340380000 521706038 /nfs/dbraw/zinc/70/60/38/521706038.db2.gz BGQHFTMLSTZXIN-DLBZAZTESA-N 2 1 292.492 3.555 20 0 CHADMP CCSCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340380000 521706039 /nfs/dbraw/zinc/70/60/39/521706039.db2.gz BGQHFTMLSTZXIN-DLBZAZTESA-N 2 1 292.492 3.555 20 0 CHADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(C)cc1 ZINC000037141021 522562461 /nfs/dbraw/zinc/56/24/61/522562461.db2.gz RRRZYKUPHXOUPR-SFHVURJKSA-N 2 1 272.436 3.663 20 0 CHADMP C[N@H+](CCC[NH+]1CCCC1)Cc1csc2ccccc12 ZINC000337220382 522748283 /nfs/dbraw/zinc/74/82/83/522748283.db2.gz DDMXWKROGUPZMF-UHFFFAOYSA-N 2 1 288.460 3.819 20 0 CHADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1csc2ccccc12 ZINC000337220382 522748289 /nfs/dbraw/zinc/74/82/89/522748289.db2.gz DDMXWKROGUPZMF-UHFFFAOYSA-N 2 1 288.460 3.819 20 0 CHADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(C(F)F)cc3)C2)C1 ZINC000292884998 523859369 /nfs/dbraw/zinc/85/93/69/523859369.db2.gz FHVUHUHSEJEPLA-KRWDZBQOSA-N 2 1 294.389 3.542 20 0 CHADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(C(F)F)cc3)C2)C1 ZINC000292884998 523859373 /nfs/dbraw/zinc/85/93/73/523859373.db2.gz FHVUHUHSEJEPLA-KRWDZBQOSA-N 2 1 294.389 3.542 20 0 CHADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(C(F)F)cc3)C2)C1 ZINC000292884998 523859380 /nfs/dbraw/zinc/85/93/80/523859380.db2.gz FHVUHUHSEJEPLA-KRWDZBQOSA-N 2 1 294.389 3.542 20 0 CHADMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000130478965 524169876 /nfs/dbraw/zinc/16/98/76/524169876.db2.gz YUKUVOMLLIZUBX-MDZLAQPJSA-N 2 1 284.494 3.603 20 0 CHADMP C[C@@H](CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000088163914 524498591 /nfs/dbraw/zinc/49/85/91/524498591.db2.gz ORDCDBIWPXVKAT-UXDRXVOSSA-N 2 1 286.463 3.785 20 0 CHADMP C[C@H](C[NH2+][C@H](C)c1ccc(Cl)cn1)C[NH+]1CCCCC1 ZINC000274822162 524499821 /nfs/dbraw/zinc/49/98/21/524499821.db2.gz BSDVOIFKFTVLJJ-ZIAGYGMSSA-N 2 1 295.858 3.508 20 0 CHADMP Cc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c(C)s1 ZINC000263709182 524659388 /nfs/dbraw/zinc/65/93/88/524659388.db2.gz MZQCESPGDJFWTN-UHFFFAOYSA-N 2 1 280.481 3.670 20 0 CHADMP Cc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c(C)s1 ZINC000263709182 524659398 /nfs/dbraw/zinc/65/93/98/524659398.db2.gz MZQCESPGDJFWTN-UHFFFAOYSA-N 2 1 280.481 3.670 20 0 CHADMP C[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC000127995568 524735244 /nfs/dbraw/zinc/73/52/44/524735244.db2.gz NMMPKPVQVCEODL-DXJOGWAWSA-N 2 1 290.426 3.534 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cc(F)cc(F)c1 ZINC000094827058 525399836 /nfs/dbraw/zinc/39/98/36/525399836.db2.gz YYQJCYMPICRJTR-GFCCVEGCSA-N 2 1 296.405 3.878 20 0 CHADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1nccc2ccccc21 ZINC000289581632 525433892 /nfs/dbraw/zinc/43/38/92/525433892.db2.gz DVETYOJXNWBQOM-MRXNPFEDSA-N 2 1 297.446 3.761 20 0 CHADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1nccc2ccccc21 ZINC000289636441 525491692 /nfs/dbraw/zinc/49/16/92/525491692.db2.gz HMQVTVXOFMMDJH-JKSUJKDBSA-N 2 1 297.446 3.617 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cc2ccccc2o1 ZINC000279020132 525506725 /nfs/dbraw/zinc/50/67/25/525506725.db2.gz USLARCKGWDOKIF-ZIAGYGMSSA-N 2 1 295.386 3.543 20 0 CHADMP C[C@H]([NH2+][C@H]1CC=CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274898607 525603400 /nfs/dbraw/zinc/60/34/00/525603400.db2.gz KSSIPXXYBUJCTN-UHOSZYNNSA-N 2 1 284.447 3.595 20 0 CHADMP Cc1ccsc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000125834164 525886498 /nfs/dbraw/zinc/88/64/98/525886498.db2.gz ROVLIPWLSNWMRH-LSDHHAIUSA-N 2 1 280.481 3.828 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277071181 526051430 /nfs/dbraw/zinc/05/14/30/526051430.db2.gz DSZVDEZTBQISHK-CJNGLKHVSA-N 2 1 280.843 3.817 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277071181 526051438 /nfs/dbraw/zinc/05/14/38/526051438.db2.gz DSZVDEZTBQISHK-CJNGLKHVSA-N 2 1 280.843 3.817 20 0 CHADMP c1cc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)ccc2s1 ZINC000289913302 526448235 /nfs/dbraw/zinc/44/82/35/526448235.db2.gz UMERMMWMDBESDZ-HZPDHXFCSA-N 2 1 286.444 3.618 20 0 CHADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000044529630 527212950 /nfs/dbraw/zinc/21/29/50/527212950.db2.gz HBSLUVWHCKVSJR-NSHDSACASA-N 2 1 294.851 3.725 20 0 CHADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000044529630 527212954 /nfs/dbraw/zinc/21/29/54/527212954.db2.gz HBSLUVWHCKVSJR-NSHDSACASA-N 2 1 294.851 3.725 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCCCF)cc1 ZINC000367448064 527377234 /nfs/dbraw/zinc/37/72/34/527377234.db2.gz LCOYINAPLUIRFX-CQSZACIVSA-N 2 1 289.398 3.971 20 0 CHADMP CC(C)(C)CC[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192931317 527669638 /nfs/dbraw/zinc/66/96/38/527669638.db2.gz ZVIUOKADPYFVOY-KRWDZBQOSA-N 2 1 274.452 3.534 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3ccccc3o2)C[C@@H]1C ZINC000353748690 527834717 /nfs/dbraw/zinc/83/47/17/527834717.db2.gz CPLSGDGDVGTBLN-HOCLYGCPSA-N 2 1 286.419 3.737 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3ccccc3o2)C[C@@H]1C ZINC000353748690 527834720 /nfs/dbraw/zinc/83/47/20/527834720.db2.gz CPLSGDGDVGTBLN-HOCLYGCPSA-N 2 1 286.419 3.737 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3ccccc3o2)C[C@@H]1C ZINC000353748690 527834726 /nfs/dbraw/zinc/83/47/26/527834726.db2.gz CPLSGDGDVGTBLN-HOCLYGCPSA-N 2 1 286.419 3.737 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3ccccc3o2)C[C@@H]1C ZINC000353748690 527834727 /nfs/dbraw/zinc/83/47/27/527834727.db2.gz CPLSGDGDVGTBLN-HOCLYGCPSA-N 2 1 286.419 3.737 20 0 CHADMP CCCCC[C@H]1CCC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347934677 528274942 /nfs/dbraw/zinc/27/49/42/528274942.db2.gz ZFVCZJHHWMQBAY-AWEZNQCLSA-N 2 1 295.496 3.749 20 0 CHADMP CCCCC[C@H]1CCC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347934677 528274946 /nfs/dbraw/zinc/27/49/46/528274946.db2.gz ZFVCZJHHWMQBAY-AWEZNQCLSA-N 2 1 295.496 3.749 20 0 CHADMP CC(C)C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192918128 528475090 /nfs/dbraw/zinc/47/50/90/528475090.db2.gz YGWZYDKMIAQQFF-WMZOPIPTSA-N 2 1 274.452 3.533 20 0 CHADMP Cc1c[nH+]c(N2CCCC[C@H]2CC[NH+]2CCCC2)cc1C ZINC001165049072 721976687 /nfs/dbraw/zinc/97/66/87/721976687.db2.gz MLNYGMATDQXJLK-KRWDZBQOSA-N 2 1 287.451 3.543 20 0 CHADMP CCC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccccc1 ZINC000035013097 1117789762 /nfs/dbraw/zinc/78/97/62/1117789762.db2.gz MKVHPBUSEKMXOB-QGZVFWFLSA-N 2 1 260.425 3.602 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000131388848 1125492147 /nfs/dbraw/zinc/49/21/47/1125492147.db2.gz UKKRNAITUJEZSM-OAHLLOKOSA-N 2 1 296.455 3.684 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H]2CCCC(C)(C)C2)CC1 ZINC000562417904 1119473042 /nfs/dbraw/zinc/47/30/42/1119473042.db2.gz SXALCOLOPQEAPK-HOTGVXAUSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@H]([NH2+]CCC[NH+](C)C)c1cc(Cl)cc(Cl)c1 ZINC000151957396 1120049872 /nfs/dbraw/zinc/04/98/72/1120049872.db2.gz RZRZLQKKPVRAQE-JTQLQIEISA-N 2 1 275.223 3.596 20 0 CHADMP CC(C)C(C(C)C)[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000924591183 1120069327 /nfs/dbraw/zinc/06/93/27/1120069327.db2.gz GLPBOCPEJWGGBP-CQSZACIVSA-N 2 1 266.473 3.520 20 0 CHADMP CCCCCC[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222154180 1120496515 /nfs/dbraw/zinc/49/65/15/1120496515.db2.gz HPPUZBZCYNUWTA-QGZVFWFLSA-N 2 1 266.473 3.813 20 0 CHADMP CC[C@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000500129635 1120516604 /nfs/dbraw/zinc/51/66/04/1120516604.db2.gz OOQWAJVXRSGSEM-HOTGVXAUSA-N 2 1 266.473 3.761 20 0 CHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420946050 1122049017 /nfs/dbraw/zinc/04/90/17/1122049017.db2.gz LMQIXPMOMHTETJ-KBPBESRZSA-N 2 1 292.389 3.525 20 0 CHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420946050 1122049022 /nfs/dbraw/zinc/04/90/22/1122049022.db2.gz LMQIXPMOMHTETJ-KBPBESRZSA-N 2 1 292.389 3.525 20 0 CHADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420946050 1122049028 /nfs/dbraw/zinc/04/90/28/1122049028.db2.gz LMQIXPMOMHTETJ-KBPBESRZSA-N 2 1 292.389 3.525 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)C2CCCCC2)C1 ZINC001191367586 1122596372 /nfs/dbraw/zinc/59/63/72/1122596372.db2.gz QHRMMJRKIVJTAW-SJORKVTESA-N 2 1 280.500 3.867 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](C)C2CCCCC2)C1 ZINC001191367586 1122596376 /nfs/dbraw/zinc/59/63/76/1122596376.db2.gz QHRMMJRKIVJTAW-SJORKVTESA-N 2 1 280.500 3.867 20 0 CHADMP CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cccc(Cl)c1F ZINC000425931455 1122664324 /nfs/dbraw/zinc/66/43/24/1122664324.db2.gz LVYUIKDTZOMDHU-FZMZJTMJSA-N 2 1 286.822 3.718 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2C(C)=CCC[C@@H]2C)C1 ZINC000443641903 1123456435 /nfs/dbraw/zinc/45/64/35/1123456435.db2.gz MVOIKYBHHXPUCQ-OKZBNKHCSA-N 2 1 278.484 3.643 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2C(C)=CCC[C@@H]2C)C1 ZINC000443641903 1123456436 /nfs/dbraw/zinc/45/64/36/1123456436.db2.gz MVOIKYBHHXPUCQ-OKZBNKHCSA-N 2 1 278.484 3.643 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2C(C)=CCC[C@@H]2C)C1 ZINC000443641903 1123456438 /nfs/dbraw/zinc/45/64/38/1123456438.db2.gz MVOIKYBHHXPUCQ-OKZBNKHCSA-N 2 1 278.484 3.643 20 0 CHADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529538087 1124992700 /nfs/dbraw/zinc/99/27/00/1124992700.db2.gz KHAKITAVXKRDRX-UKRRQHHQSA-N 2 1 288.426 3.664 20 0 CHADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529538087 1124992703 /nfs/dbraw/zinc/99/27/03/1124992703.db2.gz KHAKITAVXKRDRX-UKRRQHHQSA-N 2 1 288.426 3.664 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC001202612013 1125443421 /nfs/dbraw/zinc/44/34/21/1125443421.db2.gz QAMMBIWGAOORCH-GVDBMIGSSA-N 2 1 266.473 3.689 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC001202612013 1125443422 /nfs/dbraw/zinc/44/34/22/1125443422.db2.gz QAMMBIWGAOORCH-GVDBMIGSSA-N 2 1 266.473 3.689 20 0 CHADMP CCCCCC1CCC([N@H+]2CC[C@@H](C[NH2+]C)C2)CC1 ZINC001246864907 1131793904 /nfs/dbraw/zinc/79/39/04/1131793904.db2.gz QDOZICXTQFYNHT-CGZBRXJRSA-N 2 1 266.473 3.667 20 0 CHADMP CC[C@H]1CCC[N@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171636470 1132078618 /nfs/dbraw/zinc/07/86/18/1132078618.db2.gz FIGPXZHIKLLLSY-ZDUSSCGKSA-N 2 1 252.446 3.512 20 0 CHADMP CC[NH+](CC)C1CCC([N@@H+](C)C2CCCC2)CC1 ZINC001173111612 1132393155 /nfs/dbraw/zinc/39/31/55/1132393155.db2.gz IMHOISNTDQBZJL-UHFFFAOYSA-N 2 1 252.446 3.514 20 0 CHADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H]1c1ccsc1 ZINC000842471589 1132433774 /nfs/dbraw/zinc/43/37/74/1132433774.db2.gz KMGHVMQBBSOYBN-HNNXBMFYSA-N 2 1 266.454 3.794 20 0 CHADMP CC[C@@H]1CC[C@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173271017 1132436710 /nfs/dbraw/zinc/43/67/10/1132436710.db2.gz OYIGQRYERLCELU-DZUCGIPZSA-N 2 1 264.457 3.547 20 0 CHADMP CC[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC001204549957 1133460929 /nfs/dbraw/zinc/46/09/29/1133460929.db2.gz DHVHGCWIWLGDPA-KSZLIROESA-N 2 1 280.500 3.867 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000348309609 1125519966 /nfs/dbraw/zinc/51/99/66/1125519966.db2.gz AWPQUGDMZIOUEB-BZZMCLGOSA-N 2 1 290.426 3.520 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC000348309609 1125519971 /nfs/dbraw/zinc/51/99/71/1125519971.db2.gz AWPQUGDMZIOUEB-BZZMCLGOSA-N 2 1 290.426 3.520 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2coc3ccccc23)[C@@H](C)C1 ZINC000245708762 1125589950 /nfs/dbraw/zinc/58/99/50/1125589950.db2.gz FQBNGQNQYPKFTG-YOEHRIQHSA-N 2 1 286.419 3.595 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2coc3ccccc23)[C@@H](C)C1 ZINC000245708762 1125589953 /nfs/dbraw/zinc/58/99/53/1125589953.db2.gz FQBNGQNQYPKFTG-YOEHRIQHSA-N 2 1 286.419 3.595 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2coc3ccccc23)[C@@H](C)C1 ZINC000245708762 1125589957 /nfs/dbraw/zinc/58/99/57/1125589957.db2.gz FQBNGQNQYPKFTG-YOEHRIQHSA-N 2 1 286.419 3.595 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CC=CCC2)C3)cc1 ZINC000245671816 1125586841 /nfs/dbraw/zinc/58/68/41/1125586841.db2.gz HLZWLAHAJHIBTQ-YSTOQKLRSA-N 2 1 296.458 3.880 20 0 CHADMP Clc1cccc(C2([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000245921540 1125599864 /nfs/dbraw/zinc/59/98/64/1125599864.db2.gz QUANUMOAKCYHQM-CVEARBPZSA-N 2 1 290.838 3.546 20 0 CHADMP Clc1cccc(C2([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000245921540 1125599868 /nfs/dbraw/zinc/59/98/68/1125599868.db2.gz QUANUMOAKCYHQM-CVEARBPZSA-N 2 1 290.838 3.546 20 0 CHADMP CC(C)(C)[NH+]1CCC([NH2+]C/C=C\c2cccc(F)c2)CC1 ZINC000885928048 1125627486 /nfs/dbraw/zinc/62/74/86/1125627486.db2.gz ZYAMZXAXGJHATQ-ALCCZGGFSA-N 2 1 290.426 3.691 20 0 CHADMP C[C@H](c1ccccc1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072980538 1125636987 /nfs/dbraw/zinc/63/69/87/1125636987.db2.gz IRCUUTJAGAYMDO-WBVHZDCISA-N 2 1 260.425 3.554 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CCC1 ZINC000248061975 1125661823 /nfs/dbraw/zinc/66/18/23/1125661823.db2.gz LWONBRDRMWTBEG-YSVLISHTSA-N 2 1 292.492 3.909 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CCC1 ZINC000248061975 1125661828 /nfs/dbraw/zinc/66/18/28/1125661828.db2.gz LWONBRDRMWTBEG-YSVLISHTSA-N 2 1 292.492 3.909 20 0 CHADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000248145795 1125662956 /nfs/dbraw/zinc/66/29/56/1125662956.db2.gz ZPWJQYGGVLXCBC-RCCFBDPRSA-N 2 1 286.463 3.657 20 0 CHADMP Cc1ccccc1[C@@H]1C[C@H](C)[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000248145795 1125662959 /nfs/dbraw/zinc/66/29/59/1125662959.db2.gz ZPWJQYGGVLXCBC-RCCFBDPRSA-N 2 1 286.463 3.657 20 0 CHADMP Cc1ccccc1[C@@H]1C[C@H](C)[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000248145795 1125662962 /nfs/dbraw/zinc/66/29/62/1125662962.db2.gz ZPWJQYGGVLXCBC-RCCFBDPRSA-N 2 1 286.463 3.657 20 0 CHADMP C[NH+](CCCCF)[C@H]1CC[C@H]([N@@H+](C)CCCCF)CC1 ZINC000886389478 1125676497 /nfs/dbraw/zinc/67/64/97/1125676497.db2.gz KUQOAEVZCOGSFG-WKILWMFISA-N 2 1 290.442 3.661 20 0 CHADMP CC[C@H](CC(F)F)C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886659367 1125704063 /nfs/dbraw/zinc/70/40/63/1125704063.db2.gz LAHKSBFSXUMMQG-CYBMUJFWSA-N 2 1 299.409 3.887 20 0 CHADMP Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000261703446 1125739326 /nfs/dbraw/zinc/73/93/26/1125739326.db2.gz CPYUYGOSZALLJI-OTWHNJEPSA-N 2 1 286.463 3.563 20 0 CHADMP CC[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC[C@@H]1c1ccccc1 ZINC000261747787 1125740901 /nfs/dbraw/zinc/74/09/01/1125740901.db2.gz JGZQIJMMIOQLFG-NEWSRXKRSA-N 2 1 286.463 3.502 20 0 CHADMP CC[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CC[C@@H]1c1ccccc1 ZINC000261747792 1125740963 /nfs/dbraw/zinc/74/09/63/1125740963.db2.gz JGZQIJMMIOQLFG-NZSAHSFTSA-N 2 1 286.463 3.502 20 0 CHADMP C[N@@H+](C[C@]1(C)CC[NH2+]C1)C1c2ccccc2-c2ccccc21 ZINC000261946431 1125748050 /nfs/dbraw/zinc/74/80/50/1125748050.db2.gz FJCPPHWJPKMQIP-HXUWFJFHSA-N 2 1 292.426 3.688 20 0 CHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000262047621 1125750366 /nfs/dbraw/zinc/75/03/66/1125750366.db2.gz ZDMSFHSGDQSPDX-IPYPFGDCSA-N 2 1 280.843 3.503 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000091321083 1125750445 /nfs/dbraw/zinc/75/04/45/1125750445.db2.gz UCFPZANOBJVSMQ-KDOFPFPSSA-N 2 1 283.419 3.569 20 0 CHADMP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262017774 1125750831 /nfs/dbraw/zinc/75/08/31/1125750831.db2.gz MXPROPSWLCVIKE-QRVBRYPASA-N 2 1 286.463 3.644 20 0 CHADMP c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118568980 1131231566 /nfs/dbraw/zinc/23/15/66/1131231566.db2.gz LUBKRPVNOYKFRS-GOSISDBHSA-N 2 1 298.474 3.572 20 0 CHADMP C[C@@H]([NH2+]CC1(C2CC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508691191 1125773831 /nfs/dbraw/zinc/77/38/31/1125773831.db2.gz MBBUVEUQXSICLS-AEFFLSMTSA-N 2 1 298.474 3.677 20 0 CHADMP C[C@@H]([NH2+]CCC1=CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508700469 1125775227 /nfs/dbraw/zinc/77/52/27/1125775227.db2.gz UJXMHIGAHVOCLE-XLIONFOSSA-N 2 1 298.474 3.987 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000338020753 1126711345 /nfs/dbraw/zinc/71/13/45/1126711345.db2.gz OBZUZILQKHQJGA-GOSISDBHSA-N 2 1 285.435 3.959 20 0 CHADMP CCCc1cccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)c1 ZINC000481999834 1126738257 /nfs/dbraw/zinc/73/82/57/1126738257.db2.gz HVWKXTCYOTUHEK-LPHOPBHVSA-N 2 1 288.479 3.801 20 0 CHADMP CCCc1cccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000481999834 1126738259 /nfs/dbraw/zinc/73/82/59/1126738259.db2.gz HVWKXTCYOTUHEK-LPHOPBHVSA-N 2 1 288.479 3.801 20 0 CHADMP CCCc1cccc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000481999834 1126738261 /nfs/dbraw/zinc/73/82/61/1126738261.db2.gz HVWKXTCYOTUHEK-LPHOPBHVSA-N 2 1 288.479 3.801 20 0 CHADMP CCCc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000482006576 1126739332 /nfs/dbraw/zinc/73/93/32/1126739332.db2.gz MFTLANPKNGFUEB-RBUKOAKNSA-N 2 1 286.463 3.555 20 0 CHADMP CCCc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000482006576 1126739335 /nfs/dbraw/zinc/73/93/35/1126739335.db2.gz MFTLANPKNGFUEB-RBUKOAKNSA-N 2 1 286.463 3.555 20 0 CHADMP CCCc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000482006576 1126739337 /nfs/dbraw/zinc/73/93/37/1126739337.db2.gz MFTLANPKNGFUEB-RBUKOAKNSA-N 2 1 286.463 3.555 20 0 CHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1CCc2ccc(F)cc21 ZINC000483062963 1126765854 /nfs/dbraw/zinc/76/58/54/1126765854.db2.gz LFMSEUISFLKLOZ-SJLPKXTDSA-N 2 1 290.426 3.619 20 0 CHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1CCc2ccc(F)cc21 ZINC000483062963 1126765857 /nfs/dbraw/zinc/76/58/57/1126765857.db2.gz LFMSEUISFLKLOZ-SJLPKXTDSA-N 2 1 290.426 3.619 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCc2ccc(F)cc21 ZINC000483062963 1126765860 /nfs/dbraw/zinc/76/58/60/1126765860.db2.gz LFMSEUISFLKLOZ-SJLPKXTDSA-N 2 1 290.426 3.619 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@@H]1CCc2ccc(F)cc21 ZINC000483062963 1126765861 /nfs/dbraw/zinc/76/58/61/1126765861.db2.gz LFMSEUISFLKLOZ-SJLPKXTDSA-N 2 1 290.426 3.619 20 0 CHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cc[nH]c2)cc1 ZINC000175697841 1126785027 /nfs/dbraw/zinc/78/50/27/1126785027.db2.gz AZPNWTRZGNJYQP-MRXNPFEDSA-N 2 1 297.446 3.679 20 0 CHADMP C[C@@H]1CCC[C@H](CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000483504742 1126789616 /nfs/dbraw/zinc/78/96/16/1126789616.db2.gz OFFIKGWKQKRWSQ-ZJPYXAASSA-N 2 1 278.484 3.619 20 0 CHADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000251698483 1126792944 /nfs/dbraw/zinc/79/29/44/1126792944.db2.gz IUKFUGFMWPVCHQ-ZACQAIPSSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@@H](CCCC(F)(F)F)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000163194996 1126800336 /nfs/dbraw/zinc/80/03/36/1126800336.db2.gz RRTVLBURTXTRGY-UONOGXRCSA-N 2 1 294.405 3.962 20 0 CHADMP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc(Cl)nc1 ZINC000179097314 1126823306 /nfs/dbraw/zinc/82/33/06/1126823306.db2.gz FYACLFJTEGCTNX-CQSZACIVSA-N 2 1 295.858 3.508 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+][C@H]2CC=CCC2)C3)cc1 ZINC000180147050 1126840322 /nfs/dbraw/zinc/84/03/22/1126840322.db2.gz HLZWLAHAJHIBTQ-UMQXSMKFSA-N 2 1 296.458 3.880 20 0 CHADMP C[C@H]([NH2+]C[C@@H]([NH3+])CC(F)F)c1csc2ccccc21 ZINC000904483676 1126854114 /nfs/dbraw/zinc/85/41/14/1126854114.db2.gz LKJYPBMGVGFSPN-UWVGGRQHSA-N 2 1 284.375 3.534 20 0 CHADMP C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000187718376 1126913708 /nfs/dbraw/zinc/91/37/08/1126913708.db2.gz VUBISRZHFBWLOR-UYAOXDASSA-N 2 1 298.474 3.713 20 0 CHADMP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1cccc(F)c1 ZINC000188069092 1126919627 /nfs/dbraw/zinc/91/96/27/1126919627.db2.gz CUFBWMHPLFPBEP-KRWDZBQOSA-N 2 1 289.398 3.852 20 0 CHADMP c1ccc(C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000189048750 1126927773 /nfs/dbraw/zinc/92/77/73/1126927773.db2.gz WWCLITQMCIRGLJ-VNTMZGSJSA-N 2 1 298.474 3.614 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001236152717 1130876507 /nfs/dbraw/zinc/87/65/07/1130876507.db2.gz XCICGLVULSYQRF-MRXNPFEDSA-N 2 1 280.843 3.996 20 0 CHADMP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000668713212 1127012049 /nfs/dbraw/zinc/01/20/49/1127012049.db2.gz IVFVRDPVQFJSSF-NZSAHSFTSA-N 2 1 298.474 3.534 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000268869841 1127026502 /nfs/dbraw/zinc/02/65/02/1127026502.db2.gz OOOZTMCNMMALQX-LLVKDONJSA-N 2 1 295.789 3.725 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](Cc1cccc(C)c1)C1CC1 ZINC000268913111 1127027964 /nfs/dbraw/zinc/02/79/64/1127027964.db2.gz ZKQSMDFBKGOIKD-LJQANCHMSA-N 2 1 297.446 3.501 20 0 CHADMP CC[C@H](C)C[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236566179 1130976572 /nfs/dbraw/zinc/97/65/72/1130976572.db2.gz DPMJSTUDHYQSBT-DZKIICNBSA-N 2 1 252.446 3.547 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccoc1)C1CCCCC1 ZINC000270553738 1127057382 /nfs/dbraw/zinc/05/73/82/1127057382.db2.gz BZXWBOVVCRSOSY-UHFFFAOYSA-N 2 1 287.407 3.619 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccoc1)C1CCCCC1 ZINC000270553738 1127057384 /nfs/dbraw/zinc/05/73/84/1127057384.db2.gz BZXWBOVVCRSOSY-UHFFFAOYSA-N 2 1 287.407 3.619 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](c1ccccc1)C(C)C ZINC000270919575 1127063396 /nfs/dbraw/zinc/06/33/96/1127063396.db2.gz UXFGGLQWCXPRRJ-KRWDZBQOSA-N 2 1 271.408 3.521 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H](c1ccccc1)C(C)C ZINC000270919575 1127063399 /nfs/dbraw/zinc/06/33/99/1127063399.db2.gz UXFGGLQWCXPRRJ-KRWDZBQOSA-N 2 1 271.408 3.521 20 0 CHADMP Cc1nccn1CCC[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000270677860 1127060941 /nfs/dbraw/zinc/06/09/41/1127060941.db2.gz UBFZDMRNULPDKX-QGZVFWFLSA-N 2 1 287.382 3.558 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000270677860 1127060945 /nfs/dbraw/zinc/06/09/45/1127060945.db2.gz UBFZDMRNULPDKX-QGZVFWFLSA-N 2 1 287.382 3.558 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000270677860 1127060950 /nfs/dbraw/zinc/06/09/50/1127060950.db2.gz UBFZDMRNULPDKX-QGZVFWFLSA-N 2 1 287.382 3.558 20 0 CHADMP c1cc2cccc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)c2[nH]1 ZINC000271170649 1127070792 /nfs/dbraw/zinc/07/07/92/1127070792.db2.gz DOXPDJHJLQCQQE-SFHVURJKSA-N 2 1 297.446 3.618 20 0 CHADMP C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)o1 ZINC000271217257 1127073028 /nfs/dbraw/zinc/07/30/28/1127073028.db2.gz XYKREUOXDKGQKV-IUODEOHRSA-N 2 1 285.391 3.506 20 0 CHADMP Cc1ccncc1[C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000271570761 1127093434 /nfs/dbraw/zinc/09/34/34/1127093434.db2.gz PQFHVRUXCQZQPY-INIZCTEOSA-N 2 1 277.456 3.550 20 0 CHADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc2ccccc2o1 ZINC000349369129 1127149136 /nfs/dbraw/zinc/14/91/36/1127149136.db2.gz PJCRSSIHLDVDGV-UHFFFAOYSA-N 2 1 274.408 3.597 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc2ccccc2o1 ZINC000349369129 1127149137 /nfs/dbraw/zinc/14/91/37/1127149137.db2.gz PJCRSSIHLDVDGV-UHFFFAOYSA-N 2 1 274.408 3.597 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(C)c(C)cc1C ZINC000349387088 1127150518 /nfs/dbraw/zinc/15/05/18/1127150518.db2.gz URYWZLRXUSNJEI-UHFFFAOYSA-N 2 1 285.435 3.639 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(C)c(C)cc1C ZINC000349387088 1127150521 /nfs/dbraw/zinc/15/05/21/1127150521.db2.gz URYWZLRXUSNJEI-UHFFFAOYSA-N 2 1 285.435 3.639 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC[C@H](C)F)C2)s1 ZINC000570971004 1127151264 /nfs/dbraw/zinc/15/12/64/1127151264.db2.gz XKRYHJGFPFGIBI-ZFWWWQNUSA-N 2 1 298.471 3.558 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC[C@H](C)F)C2)s1 ZINC000570971004 1127151266 /nfs/dbraw/zinc/15/12/66/1127151266.db2.gz XKRYHJGFPFGIBI-ZFWWWQNUSA-N 2 1 298.471 3.558 20 0 CHADMP C[N@H+](CCCCCF)C1CC[NH+](Cc2ccccc2)CC1 ZINC000284179215 1127177234 /nfs/dbraw/zinc/17/72/34/1127177234.db2.gz REKDTQHRUFYXFO-UHFFFAOYSA-N 2 1 292.442 3.723 20 0 CHADMP C[N@@H+](CCCCCF)C1CC[NH+](Cc2ccccc2)CC1 ZINC000284179215 1127177237 /nfs/dbraw/zinc/17/72/37/1127177237.db2.gz REKDTQHRUFYXFO-UHFFFAOYSA-N 2 1 292.442 3.723 20 0 CHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC2(CCCC2)CC1 ZINC000351403199 1127189192 /nfs/dbraw/zinc/18/91/92/1127189192.db2.gz BVRRJKQPXJOEFM-MRXNPFEDSA-N 2 1 264.457 3.517 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000351490637 1127190130 /nfs/dbraw/zinc/19/01/30/1127190130.db2.gz GLDHBZSUCAPTOX-QGZVFWFLSA-N 2 1 264.457 3.541 20 0 CHADMP CC/C=C/CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000466806341 1127212243 /nfs/dbraw/zinc/21/22/43/1127212243.db2.gz SRHVVFPPSFEENO-VZSQWMKGSA-N 2 1 286.463 3.797 20 0 CHADMP CC/C=C/CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000466806341 1127212244 /nfs/dbraw/zinc/21/22/44/1127212244.db2.gz SRHVVFPPSFEENO-VZSQWMKGSA-N 2 1 286.463 3.797 20 0 CHADMP CC/C=C/CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000466806341 1127212248 /nfs/dbraw/zinc/21/22/48/1127212248.db2.gz SRHVVFPPSFEENO-VZSQWMKGSA-N 2 1 286.463 3.797 20 0 CHADMP Cc1c[nH+]ccc1OC1CC[NH+](CCCC(C)C)CC1 ZINC000352365665 1127226650 /nfs/dbraw/zinc/22/66/50/1127226650.db2.gz VHAZNVINRDQCHH-UHFFFAOYSA-N 2 1 276.424 3.669 20 0 CHADMP CC(C)CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccoc1 ZINC000285899688 1127246217 /nfs/dbraw/zinc/24/62/17/1127246217.db2.gz BGFXSGVTQFGKIX-QGZVFWFLSA-N 2 1 276.424 3.608 20 0 CHADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1cccc(C)c1 ZINC000286176501 1127261685 /nfs/dbraw/zinc/26/16/85/1127261685.db2.gz QQSASIAPEOAHJU-KRWDZBQOSA-N 2 1 271.408 3.631 20 0 CHADMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000590818949 1127275113 /nfs/dbraw/zinc/27/51/13/1127275113.db2.gz LESAAHATOQIABZ-UHFFFAOYSA-N 2 1 274.452 3.547 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)C2CCC2)c1 ZINC000358045791 1127398251 /nfs/dbraw/zinc/39/82/51/1127398251.db2.gz JRRGVVUJWZRDRQ-OAHLLOKOSA-N 2 1 274.452 3.805 20 0 CHADMP CC[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(Cl)s1 ZINC000359218650 1127454452 /nfs/dbraw/zinc/45/44/52/1127454452.db2.gz UCNSXILSGZIBIU-UHFFFAOYSA-N 2 1 286.872 3.613 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CCCC(F)(F)F ZINC000359629731 1127470838 /nfs/dbraw/zinc/47/08/38/1127470838.db2.gz GGPCNZJJAWROAV-NEPJUHHUSA-N 2 1 291.361 3.538 20 0 CHADMP C/C(=C\c1ccccc1)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293732955 1127516590 /nfs/dbraw/zinc/51/65/90/1127516590.db2.gz VAXZUTHJGSCJAO-XEYRCQSKSA-N 2 1 284.447 3.508 20 0 CHADMP C/C(=C\c1ccccc1)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293732955 1127516593 /nfs/dbraw/zinc/51/65/93/1127516593.db2.gz VAXZUTHJGSCJAO-XEYRCQSKSA-N 2 1 284.447 3.508 20 0 CHADMP C/C(=C\c1ccccc1)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293732955 1127516596 /nfs/dbraw/zinc/51/65/96/1127516596.db2.gz VAXZUTHJGSCJAO-XEYRCQSKSA-N 2 1 284.447 3.508 20 0 CHADMP CCSc1ccccc1[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000360941411 1127522175 /nfs/dbraw/zinc/52/21/75/1127522175.db2.gz KHUNQBGXWDDDEI-ZDUSSCGKSA-N 2 1 289.448 3.654 20 0 CHADMP CC1(C)CCC[NH+](C/C=C\C[N@@H+]2CCCC(C)(C)C2)C1 ZINC000602881122 1127619352 /nfs/dbraw/zinc/61/93/52/1127619352.db2.gz MUOHSWLWZRKOGG-WAYWQWQTSA-N 2 1 278.484 3.787 20 0 CHADMP c1ccc(C[NH+]2CCC3(CC[N@H+](CC4CCC4)C3)CC2)cc1 ZINC000362394826 1127633294 /nfs/dbraw/zinc/63/32/94/1127633294.db2.gz BSLXBCSZLFMJEZ-UHFFFAOYSA-N 2 1 298.474 3.775 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)c2ccsc2)C1 ZINC000295917403 1127657250 /nfs/dbraw/zinc/65/72/50/1127657250.db2.gz JNADLDQYLVOZHD-HIFRSBDPSA-N 2 1 266.454 3.521 20 0 CHADMP C(CC1CCC1)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000659944339 1127661628 /nfs/dbraw/zinc/66/16/28/1127661628.db2.gz JGIVIBGQDKLFEQ-QGZVFWFLSA-N 2 1 264.457 3.517 20 0 CHADMP c1ccc([C@@H]2CCC[C@@H]2C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000297409266 1127695647 /nfs/dbraw/zinc/69/56/47/1127695647.db2.gz LFMUYVXHIFQPHM-XLIONFOSSA-N 2 1 298.474 3.787 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000094010718 1127723140 /nfs/dbraw/zinc/72/31/40/1127723140.db2.gz BCHMDWBZYYLGPC-OAHLLOKOSA-N 2 1 282.431 3.832 20 0 CHADMP Cc1cccc([C@H]([NH2+]CCc2c[nH+]cn2C)C(C)(C)C)c1 ZINC000298562002 1127726725 /nfs/dbraw/zinc/72/67/25/1127726725.db2.gz WDBSKAPOBZYYLM-KRWDZBQOSA-N 2 1 285.435 3.648 20 0 CHADMP C[C@@H](c1ccccc1Cl)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000062014443 1127730952 /nfs/dbraw/zinc/73/09/52/1127730952.db2.gz YSPNCVMOIQEYPU-KBPBESRZSA-N 2 1 280.843 3.723 20 0 CHADMP CC(C)SCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000409446591 1127768468 /nfs/dbraw/zinc/76/84/68/1127768468.db2.gz SWLOVWRHJVWBRA-QGZVFWFLSA-N 2 1 298.540 3.572 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CC2 ZINC000373525335 1127849487 /nfs/dbraw/zinc/84/94/87/1127849487.db2.gz ZGNWOZXJNPDNNG-TVPLGVNVSA-N 2 1 284.447 3.589 20 0 CHADMP CC[C@@H]1C[C@H](C)C[NH+]1C/C=C/C[N@@H+]1C[C@H](C)C[C@@H]1CC ZINC000608758129 1127888934 /nfs/dbraw/zinc/88/89/34/1127888934.db2.gz FSJUKYMCFILGJT-WGDVQTBKSA-N 2 1 278.484 3.783 20 0 CHADMP CC[C@@H]1C[C@H](C)C[N@H+]1C/C=C/C[NH+]1C[C@H](C)C[C@@H]1CC ZINC000608758129 1127888938 /nfs/dbraw/zinc/88/89/38/1127888938.db2.gz FSJUKYMCFILGJT-WGDVQTBKSA-N 2 1 278.484 3.783 20 0 CHADMP CC[C@@H]1C[C@H](C)C[N@@H+]1C/C=C/C[NH+]1C[C@H](C)C[C@@H]1CC ZINC000608758129 1127888942 /nfs/dbraw/zinc/88/89/42/1127888942.db2.gz FSJUKYMCFILGJT-WGDVQTBKSA-N 2 1 278.484 3.783 20 0 CHADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](C)CCc2ccccc2)C1 ZINC000539405105 1127922048 /nfs/dbraw/zinc/92/20/48/1127922048.db2.gz NAVCOJMDDVHJBN-IEBWSBKVSA-N 2 1 288.479 3.529 20 0 CHADMP CCC[C@@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000539409020 1127922825 /nfs/dbraw/zinc/92/28/25/1127922825.db2.gz WLLGNAZUCQFCFV-HKUYNNGSSA-N 2 1 288.479 3.844 20 0 CHADMP CCC[C@@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000539409020 1127922827 /nfs/dbraw/zinc/92/28/27/1127922827.db2.gz WLLGNAZUCQFCFV-HKUYNNGSSA-N 2 1 288.479 3.844 20 0 CHADMP CCC[C@@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000539409020 1127922829 /nfs/dbraw/zinc/92/28/29/1127922829.db2.gz WLLGNAZUCQFCFV-HKUYNNGSSA-N 2 1 288.479 3.844 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C)CCCCCC2)[C@H](C)C1 ZINC000539560330 1127930761 /nfs/dbraw/zinc/93/07/61/1127930761.db2.gz OGMGGDUGEVIXFX-HZPDHXFCSA-N 2 1 266.473 3.667 20 0 CHADMP C[N@H+]1CCC[C@H]2C[NH+](CC3CCC(C)(C)CC3)CC[C@H]21 ZINC000539897669 1127952107 /nfs/dbraw/zinc/95/21/07/1127952107.db2.gz VUXUSJDNPMFDCM-DLBZAZTESA-N 2 1 278.484 3.619 20 0 CHADMP CCC(C)(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000540153085 1127964845 /nfs/dbraw/zinc/96/48/45/1127964845.db2.gz DTVBQEIJHIQFOQ-CRAIPNDOSA-N 2 1 288.479 3.804 20 0 CHADMP C/C(=C\c1ccccc1)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000467518820 1127971920 /nfs/dbraw/zinc/97/19/20/1127971920.db2.gz NZHYOTVNTQAFCW-BMRADRMJSA-N 2 1 272.436 3.508 20 0 CHADMP C/C(=C\c1ccccc1)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000467518820 1127971923 /nfs/dbraw/zinc/97/19/23/1127971923.db2.gz NZHYOTVNTQAFCW-BMRADRMJSA-N 2 1 272.436 3.508 20 0 CHADMP Cc1ccccc1[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC000540360137 1127976780 /nfs/dbraw/zinc/97/67/80/1127976780.db2.gz PLTGFBXZLIFFGM-FUHWJXTLSA-N 2 1 274.452 3.766 20 0 CHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(-c3ccccc3)c2)CC[N@H+]1C ZINC000540606899 1127986289 /nfs/dbraw/zinc/98/62/89/1127986289.db2.gz INVUPOGQARTBOV-OXJNMPFZSA-N 2 1 294.442 3.926 20 0 CHADMP CC(C)(C)[NH+]1CCC([NH2+]C2(c3ccc(F)cc3)CC2)CC1 ZINC000540753777 1127993681 /nfs/dbraw/zinc/99/36/81/1127993681.db2.gz QVDKKOZJDQCMNT-UHFFFAOYSA-N 2 1 290.426 3.667 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2C)CC1 ZINC000468394348 1128005026 /nfs/dbraw/zinc/00/50/26/1128005026.db2.gz TWGIJQKLDJKNFQ-UHFFFAOYSA-N 2 1 294.870 3.955 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cc2C)[C@@H](C)C1 ZINC000468392765 1128005367 /nfs/dbraw/zinc/00/53/67/1128005367.db2.gz NGBLMOVHLXMAIX-WMLDXEAASA-N 2 1 294.870 3.811 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2C)[C@@H](C)C1 ZINC000468392765 1128005371 /nfs/dbraw/zinc/00/53/71/1128005371.db2.gz NGBLMOVHLXMAIX-WMLDXEAASA-N 2 1 294.870 3.811 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2C)[C@@H](C)C1 ZINC000468392765 1128005375 /nfs/dbraw/zinc/00/53/75/1128005375.db2.gz NGBLMOVHLXMAIX-WMLDXEAASA-N 2 1 294.870 3.811 20 0 CHADMP Cc1cc(Cl)ccc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000468391830 1128005535 /nfs/dbraw/zinc/00/55/35/1128005535.db2.gz HMYCLZHSTGTBBD-UHFFFAOYSA-N 2 1 294.870 3.953 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000468391830 1128005538 /nfs/dbraw/zinc/00/55/38/1128005538.db2.gz HMYCLZHSTGTBBD-UHFFFAOYSA-N 2 1 294.870 3.953 20 0 CHADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000541537545 1128025497 /nfs/dbraw/zinc/02/54/97/1128025497.db2.gz UDSVZOWDAMTBHK-VXIBKDFQSA-N 2 1 290.495 3.761 20 0 CHADMP C[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000541537545 1128025500 /nfs/dbraw/zinc/02/55/00/1128025500.db2.gz UDSVZOWDAMTBHK-VXIBKDFQSA-N 2 1 290.495 3.761 20 0 CHADMP C[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000541537545 1128025502 /nfs/dbraw/zinc/02/55/02/1128025502.db2.gz UDSVZOWDAMTBHK-VXIBKDFQSA-N 2 1 290.495 3.761 20 0 CHADMP Cc1ccc([C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C2CCC2)o1 ZINC000541744118 1128036303 /nfs/dbraw/zinc/03/63/03/1128036303.db2.gz CKICYLBPRVCLGJ-KDOFPFPSSA-N 2 1 288.435 3.503 20 0 CHADMP Cc1ccc([C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C2CCC2)o1 ZINC000541744118 1128036306 /nfs/dbraw/zinc/03/63/06/1128036306.db2.gz CKICYLBPRVCLGJ-KDOFPFPSSA-N 2 1 288.435 3.503 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000469270044 1128039811 /nfs/dbraw/zinc/03/98/11/1128039811.db2.gz ZTXKXGBYBGQJHE-QAETUUGQSA-N 2 1 266.473 3.523 20 0 CHADMP Cc1ccccc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000469991650 1128060895 /nfs/dbraw/zinc/06/08/95/1128060895.db2.gz NCGPMTWWBNVFAO-JXFKEZNVSA-N 2 1 294.442 3.831 20 0 CHADMP CCC[C@@H](CC)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257253470 1128097752 /nfs/dbraw/zinc/09/77/52/1128097752.db2.gz PIINNRQVQGGPMZ-BZUAXINKSA-N 2 1 252.446 3.547 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CCCCCC2)C1 ZINC000557273964 1128097968 /nfs/dbraw/zinc/09/79/68/1128097968.db2.gz PPMWTHIWTMAFFD-INIZCTEOSA-N 2 1 266.473 3.667 20 0 CHADMP CCC[C@H](CC)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001257258577 1128100930 /nfs/dbraw/zinc/10/09/30/1128100930.db2.gz GFHLIECGUPEPHJ-HOTGVXAUSA-N 2 1 296.499 3.577 20 0 CHADMP CCC[C@H](CC)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001257258579 1128101216 /nfs/dbraw/zinc/10/12/16/1128101216.db2.gz GFHLIECGUPEPHJ-JKSUJKDBSA-N 2 1 296.499 3.577 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1c(C)oc2ccccc21 ZINC000924717945 1128110878 /nfs/dbraw/zinc/11/08/78/1128110878.db2.gz XHIFWFRKQFXZGZ-ZDUSSCGKSA-N 2 1 297.402 3.987 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2c(C)oc3ccccc32)C1 ZINC000924707501 1128111044 /nfs/dbraw/zinc/11/10/44/1128111044.db2.gz USUMSLWDBPQVBH-DZGCQCFKSA-N 2 1 286.419 3.734 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1coc2ccccc12 ZINC000924950701 1128117284 /nfs/dbraw/zinc/11/72/84/1128117284.db2.gz KBJMVEVJJPGEGL-ZIAGYGMSSA-N 2 1 297.402 3.925 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1coc2ccccc12 ZINC000925138745 1128123055 /nfs/dbraw/zinc/12/30/55/1128123055.db2.gz DGTHOVNOEMHOMP-IHRRRGAJSA-N 2 1 272.392 3.566 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1coc2ccccc12 ZINC000925138745 1128123058 /nfs/dbraw/zinc/12/30/58/1128123058.db2.gz DGTHOVNOEMHOMP-IHRRRGAJSA-N 2 1 272.392 3.566 20 0 CHADMP CCC(F)(F)C(C)(C)C[NH2+][C@H](c1ccccc1)[C@H](C)N ZINC000925720841 1128138169 /nfs/dbraw/zinc/13/81/69/1128138169.db2.gz VBPJSQBTQGWYHG-JSGCOSHPSA-N 2 1 284.394 3.736 20 0 CHADMP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1csc2ccccc12 ZINC000925815292 1128143575 /nfs/dbraw/zinc/14/35/75/1128143575.db2.gz VVIAQBQEWCTNGO-OLZOCXBDSA-N 2 1 297.427 3.763 20 0 CHADMP CSc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000219233953 1128163432 /nfs/dbraw/zinc/16/34/32/1128163432.db2.gz LJMYAGNKCUUPPZ-GUTXKFCHSA-N 2 1 278.465 3.542 20 0 CHADMP CC1CCC(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000542508575 1128200848 /nfs/dbraw/zinc/20/08/48/1128200848.db2.gz HYVQYOXUHVCIGX-BXNZUYAZSA-N 2 1 290.495 3.761 20 0 CHADMP CC1CCC(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000542508575 1128200850 /nfs/dbraw/zinc/20/08/50/1128200850.db2.gz HYVQYOXUHVCIGX-BXNZUYAZSA-N 2 1 290.495 3.761 20 0 CHADMP CC1CCC(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000542508575 1128200851 /nfs/dbraw/zinc/20/08/51/1128200851.db2.gz HYVQYOXUHVCIGX-BXNZUYAZSA-N 2 1 290.495 3.761 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2C[C@H](C)[C@H]2C)CC1 ZINC000494924918 1128213795 /nfs/dbraw/zinc/21/37/95/1128213795.db2.gz VWZYXXKEGSVFMW-FRQCXROJSA-N 2 1 286.463 3.594 20 0 CHADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc4ccccc4c3)C2)C1 ZINC000559310876 1128230702 /nfs/dbraw/zinc/23/07/02/1128230702.db2.gz GNPIVMICNLZURS-HXUWFJFHSA-N 2 1 294.442 3.758 20 0 CHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc4ccccc4c3)C2)C1 ZINC000559310876 1128230704 /nfs/dbraw/zinc/23/07/04/1128230704.db2.gz GNPIVMICNLZURS-HXUWFJFHSA-N 2 1 294.442 3.758 20 0 CHADMP CC(C)c1cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)ccc1Cl ZINC001205123667 1128240154 /nfs/dbraw/zinc/24/01/54/1128240154.db2.gz DXZRZMDGIKRYRC-AWEZNQCLSA-N 2 1 280.843 3.777 20 0 CHADMP CC(C)c1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)ccc1Cl ZINC001205123667 1128240158 /nfs/dbraw/zinc/24/01/58/1128240158.db2.gz DXZRZMDGIKRYRC-AWEZNQCLSA-N 2 1 280.843 3.777 20 0 CHADMP CCCCCCc1ccc(C[N@@H+]2CCC3(C[NH2+]C3)C2)s1 ZINC001235026788 1128292097 /nfs/dbraw/zinc/29/20/97/1128292097.db2.gz RYHKOGWTTKNJIM-UHFFFAOYSA-N 2 1 292.492 3.666 20 0 CHADMP CCCCCCc1ccc(C[N@H+]2CCC3(C[NH2+]C3)C2)s1 ZINC001235026788 1128292102 /nfs/dbraw/zinc/29/21/02/1128292102.db2.gz RYHKOGWTTKNJIM-UHFFFAOYSA-N 2 1 292.492 3.666 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)[C@H]1C[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000322341075 1128342290 /nfs/dbraw/zinc/34/22/90/1128342290.db2.gz RKBAYROHAUGTFH-VYDRJQSISA-N 2 1 286.463 3.531 20 0 CHADMP CC(C)CCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000393969692 1128350958 /nfs/dbraw/zinc/35/09/58/1128350958.db2.gz OYSVGQUGBSUKAO-HKUYNNGSSA-N 2 1 288.479 3.923 20 0 CHADMP CCCC[C@H](CC)[NH+]1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001257425687 1128358839 /nfs/dbraw/zinc/35/88/39/1128358839.db2.gz WZKRMUPBAOYWMF-FUHWJXTLSA-N 2 1 296.499 3.530 20 0 CHADMP CCc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996743 1128404307 /nfs/dbraw/zinc/40/43/07/1128404307.db2.gz FYWAVYUZVAJWCB-JCGIZDLHSA-N 2 1 272.436 3.526 20 0 CHADMP CCc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996743 1128404309 /nfs/dbraw/zinc/40/43/09/1128404309.db2.gz FYWAVYUZVAJWCB-JCGIZDLHSA-N 2 1 272.436 3.526 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c(C)c1 ZINC000036996872 1128404843 /nfs/dbraw/zinc/40/48/43/1128404843.db2.gz BDFINFGRKQCJSI-CGTJXYLNSA-N 2 1 272.436 3.581 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c(C)c1 ZINC000036996872 1128404846 /nfs/dbraw/zinc/40/48/46/1128404846.db2.gz BDFINFGRKQCJSI-CGTJXYLNSA-N 2 1 272.436 3.581 20 0 CHADMP C[C@H](CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000562580090 1128411877 /nfs/dbraw/zinc/41/18/77/1128411877.db2.gz TWMMKOBAVNNLQG-SJLPKXTDSA-N 2 1 274.452 3.596 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC000037643705 1128433755 /nfs/dbraw/zinc/43/37/55/1128433755.db2.gz VKYOMCKVEQZLCI-JKSUJKDBSA-N 2 1 274.452 3.802 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000037644359 1128433819 /nfs/dbraw/zinc/43/38/19/1128433819.db2.gz ZLTGNCYMSDNESP-WLYUNCDWSA-N 2 1 292.854 3.517 20 0 CHADMP CC(C)CC(CC(C)C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649065 1128434617 /nfs/dbraw/zinc/43/46/17/1128434617.db2.gz GNBMBVBVOQALED-HNNXBMFYSA-N 2 1 266.473 3.521 20 0 CHADMP CCCc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649255 1128435019 /nfs/dbraw/zinc/43/50/19/1128435019.db2.gz LTGCRVDHINGBPX-WBVHZDCISA-N 2 1 286.463 3.774 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)C1 ZINC000037860327 1128436565 /nfs/dbraw/zinc/43/65/65/1128436565.db2.gz XZKNSAMXOHTQLX-CVEARBPZSA-N 2 1 266.473 3.809 20 0 CHADMP CC(C)=CCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000125797231 1128454145 /nfs/dbraw/zinc/45/41/45/1128454145.db2.gz LYGMBDLOXJPNDT-DLBZAZTESA-N 2 1 266.473 3.831 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000126465295 1128464104 /nfs/dbraw/zinc/46/41/04/1128464104.db2.gz NCPKRUJIJSRFHA-KDOFPFPSSA-N 2 1 272.436 3.699 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000126464836 1128464264 /nfs/dbraw/zinc/46/42/64/1128464264.db2.gz NCPKRUJIJSRFHA-KSSFIOAISA-N 2 1 272.436 3.699 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000126891912 1128469879 /nfs/dbraw/zinc/46/98/79/1128469879.db2.gz YNMZANVAXHNLEL-YOEHRIQHSA-N 2 1 292.492 3.738 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000126891912 1128469881 /nfs/dbraw/zinc/46/98/81/1128469881.db2.gz YNMZANVAXHNLEL-YOEHRIQHSA-N 2 1 292.492 3.738 20 0 CHADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000563792819 1128479623 /nfs/dbraw/zinc/47/96/23/1128479623.db2.gz JFWRKPDJZNKION-MKQDKFQKSA-N 2 1 296.405 3.529 20 0 CHADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000563792819 1128479626 /nfs/dbraw/zinc/47/96/26/1128479626.db2.gz JFWRKPDJZNKION-MKQDKFQKSA-N 2 1 296.405 3.529 20 0 CHADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccccc2)cc1F ZINC000563721316 1128475954 /nfs/dbraw/zinc/47/59/54/1128475954.db2.gz GFBFXPCEEYCDKU-KDOFPFPSSA-N 2 1 298.405 3.804 20 0 CHADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccccc2)cc1F ZINC000563721316 1128475957 /nfs/dbraw/zinc/47/59/57/1128475957.db2.gz GFBFXPCEEYCDKU-KDOFPFPSSA-N 2 1 298.405 3.804 20 0 CHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2(C3CC3)CC2)CC1 ZINC000563984821 1128488523 /nfs/dbraw/zinc/48/85/23/1128488523.db2.gz XABAHRCIECYKJE-UHFFFAOYSA-N 2 1 298.474 3.962 20 0 CHADMP CC(C)=CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564959993 1128518030 /nfs/dbraw/zinc/51/80/30/1128518030.db2.gz WVHFYFUINNMHTJ-GOSISDBHSA-N 2 1 284.447 3.739 20 0 CHADMP CC(C)=CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564959993 1128518032 /nfs/dbraw/zinc/51/80/32/1128518032.db2.gz WVHFYFUINNMHTJ-GOSISDBHSA-N 2 1 284.447 3.739 20 0 CHADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000565155978 1128520731 /nfs/dbraw/zinc/52/07/31/1128520731.db2.gz IHRLJTBXOMYYRL-HZPDHXFCSA-N 2 1 277.456 3.547 20 0 CHADMP CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000565429544 1128526170 /nfs/dbraw/zinc/52/61/70/1128526170.db2.gz BIFCYRUCCNJALQ-GOSISDBHSA-N 2 1 299.462 3.614 20 0 CHADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000565429544 1128526172 /nfs/dbraw/zinc/52/61/72/1128526172.db2.gz BIFCYRUCCNJALQ-GOSISDBHSA-N 2 1 299.462 3.614 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000566230376 1128540632 /nfs/dbraw/zinc/54/06/32/1128540632.db2.gz KMJCHXRFFNPZHQ-HSALFYBXSA-N 2 1 298.474 3.572 20 0 CHADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000556179086 1128560539 /nfs/dbraw/zinc/56/05/39/1128560539.db2.gz NYWRGOIPZZYMRT-NXWXRZEISA-N 2 1 286.463 3.848 20 0 CHADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000556179086 1128560541 /nfs/dbraw/zinc/56/05/41/1128560541.db2.gz NYWRGOIPZZYMRT-NXWXRZEISA-N 2 1 286.463 3.848 20 0 CHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCCCF)C1 ZINC000567067494 1128557441 /nfs/dbraw/zinc/55/74/41/1128557441.db2.gz BQFZRSRNPLVESN-IRXDYDNUSA-N 2 1 284.463 3.713 20 0 CHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCCCF)C1 ZINC000567067494 1128557444 /nfs/dbraw/zinc/55/74/44/1128557444.db2.gz BQFZRSRNPLVESN-IRXDYDNUSA-N 2 1 284.463 3.713 20 0 CHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCCCF)C1 ZINC000567067494 1128557446 /nfs/dbraw/zinc/55/74/46/1128557446.db2.gz BQFZRSRNPLVESN-IRXDYDNUSA-N 2 1 284.463 3.713 20 0 CHADMP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000130120943 1128567476 /nfs/dbraw/zinc/56/74/76/1128567476.db2.gz URBYSIREIAAGAA-HRCADAONSA-N 2 1 290.451 3.607 20 0 CHADMP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000130120943 1128567479 /nfs/dbraw/zinc/56/74/79/1128567479.db2.gz URBYSIREIAAGAA-HRCADAONSA-N 2 1 290.451 3.607 20 0 CHADMP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000130120943 1128567481 /nfs/dbraw/zinc/56/74/81/1128567481.db2.gz URBYSIREIAAGAA-HRCADAONSA-N 2 1 290.451 3.607 20 0 CHADMP C1CC(=C2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)C1 ZINC000638378386 1128578826 /nfs/dbraw/zinc/57/88/26/1128578826.db2.gz WLKBDXATNPJJFU-QZTJIDSGSA-N 2 1 274.452 3.626 20 0 CHADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC000071107464 1128583329 /nfs/dbraw/zinc/58/33/29/1128583329.db2.gz OCDLAQPZLSMJNV-IKGGRYGDSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000568548018 1128586829 /nfs/dbraw/zinc/58/68/29/1128586829.db2.gz ZGZHVICOCCIPTD-KCUHQSDYSA-N 2 1 298.474 3.675 20 0 CHADMP C[C@H]1C[C@H](NC[C@@H]2CCC[N@@H+](C)C2)c2ccsc2S1 ZINC000130566012 1128587389 /nfs/dbraw/zinc/58/73/89/1128587389.db2.gz BHPFKLXSRSAYFN-OBJOEFQTSA-N 2 1 296.505 3.605 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCCN(C)C2)c2ccsc2S1 ZINC000130566012 1128587392 /nfs/dbraw/zinc/58/73/92/1128587392.db2.gz BHPFKLXSRSAYFN-OBJOEFQTSA-N 2 1 296.505 3.605 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)c2ccsc2S1 ZINC000130566012 1128587395 /nfs/dbraw/zinc/58/73/95/1128587395.db2.gz BHPFKLXSRSAYFN-OBJOEFQTSA-N 2 1 296.505 3.605 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)c2ccsc2S1 ZINC000130566012 1128587397 /nfs/dbraw/zinc/58/73/97/1128587397.db2.gz BHPFKLXSRSAYFN-OBJOEFQTSA-N 2 1 296.505 3.605 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cc2cccc(F)c2o1 ZINC000568655259 1128590190 /nfs/dbraw/zinc/59/01/90/1128590190.db2.gz OUNAGOVBNQDRKQ-ZDUSSCGKSA-N 2 1 292.398 3.954 20 0 CHADMP CCc1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)o1 ZINC000130648390 1128590603 /nfs/dbraw/zinc/59/06/03/1128590603.db2.gz URABBVWHAPIMJF-HNNXBMFYSA-N 2 1 278.440 3.586 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1ccsc1 ZINC000569045574 1128597069 /nfs/dbraw/zinc/59/70/69/1128597069.db2.gz BGJAIXFIZJAGIM-GJZGRUSLSA-N 2 1 282.497 3.779 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1ccsc1 ZINC000569045574 1128597072 /nfs/dbraw/zinc/59/70/72/1128597072.db2.gz BGJAIXFIZJAGIM-GJZGRUSLSA-N 2 1 282.497 3.779 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1csc2ccccc12 ZINC000569276255 1128602853 /nfs/dbraw/zinc/60/28/53/1128602853.db2.gz NWHCEOYJOFVRPC-CJNGLKHVSA-N 2 1 288.460 3.673 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1csc2ccccc12 ZINC000569276255 1128602854 /nfs/dbraw/zinc/60/28/54/1128602854.db2.gz NWHCEOYJOFVRPC-CJNGLKHVSA-N 2 1 288.460 3.673 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1csc2ccccc12 ZINC000569276255 1128602855 /nfs/dbraw/zinc/60/28/55/1128602855.db2.gz NWHCEOYJOFVRPC-CJNGLKHVSA-N 2 1 288.460 3.673 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1csc2ccccc12 ZINC000569276255 1128602856 /nfs/dbraw/zinc/60/28/56/1128602856.db2.gz NWHCEOYJOFVRPC-CJNGLKHVSA-N 2 1 288.460 3.673 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3sc(Cl)cc32)[C@@H](C)C1 ZINC000569277575 1128603285 /nfs/dbraw/zinc/60/32/85/1128603285.db2.gz BYYDHKRRZAJLNC-DRZSPHRISA-N 2 1 298.883 3.709 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3sc(Cl)cc32)[C@@H](C)C1 ZINC000569277575 1128603286 /nfs/dbraw/zinc/60/32/86/1128603286.db2.gz BYYDHKRRZAJLNC-DRZSPHRISA-N 2 1 298.883 3.709 20 0 CHADMP CC(C)C(C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)C(C)C ZINC000556597721 1128607302 /nfs/dbraw/zinc/60/73/02/1128607302.db2.gz XWCOVYCRLDFLCP-KRWDZBQOSA-N 2 1 280.500 3.578 20 0 CHADMP CC(C)C(C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)C(C)C ZINC000556597721 1128607303 /nfs/dbraw/zinc/60/73/03/1128607303.db2.gz XWCOVYCRLDFLCP-KRWDZBQOSA-N 2 1 280.500 3.578 20 0 CHADMP CC(C)C(C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)C(C)C ZINC000556597721 1128607305 /nfs/dbraw/zinc/60/73/05/1128607305.db2.gz XWCOVYCRLDFLCP-KRWDZBQOSA-N 2 1 280.500 3.578 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C3CCCC3)CC23CC3)cc1 ZINC000570279031 1128619725 /nfs/dbraw/zinc/61/97/25/1128619725.db2.gz DAEPTYHQNNDRHN-GOSISDBHSA-N 2 1 284.447 3.716 20 0 CHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C3CCCC3)CC23CC3)cc1 ZINC000570279031 1128619727 /nfs/dbraw/zinc/61/97/27/1128619727.db2.gz DAEPTYHQNNDRHN-GOSISDBHSA-N 2 1 284.447 3.716 20 0 CHADMP CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 ZINC000570336169 1128621057 /nfs/dbraw/zinc/62/10/57/1128621057.db2.gz USXBFEJVSRALKB-ZBFHGGJFSA-N 2 1 294.508 3.999 20 0 CHADMP CCC[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000570336169 1128621060 /nfs/dbraw/zinc/62/10/60/1128621060.db2.gz USXBFEJVSRALKB-ZBFHGGJFSA-N 2 1 294.508 3.999 20 0 CHADMP CCC[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000570336169 1128621062 /nfs/dbraw/zinc/62/10/62/1128621062.db2.gz USXBFEJVSRALKB-ZBFHGGJFSA-N 2 1 294.508 3.999 20 0 CHADMP CCC[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000570336169 1128621064 /nfs/dbraw/zinc/62/10/64/1128621064.db2.gz USXBFEJVSRALKB-ZBFHGGJFSA-N 2 1 294.508 3.999 20 0 CHADMP CCC[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000570336169 1128621067 /nfs/dbraw/zinc/62/10/67/1128621067.db2.gz USXBFEJVSRALKB-ZBFHGGJFSA-N 2 1 294.508 3.999 20 0 CHADMP CC(C)=CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000072966083 1128637539 /nfs/dbraw/zinc/63/75/39/1128637539.db2.gz NGOFWECMCVKHTE-DLBZAZTESA-N 2 1 264.457 3.539 20 0 CHADMP CC(C)=CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000072966083 1128637542 /nfs/dbraw/zinc/63/75/42/1128637542.db2.gz NGOFWECMCVKHTE-DLBZAZTESA-N 2 1 264.457 3.539 20 0 CHADMP CC(C)=CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072966083 1128637546 /nfs/dbraw/zinc/63/75/46/1128637546.db2.gz NGOFWECMCVKHTE-DLBZAZTESA-N 2 1 264.457 3.539 20 0 CHADMP CC(C)=CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072966083 1128637548 /nfs/dbraw/zinc/63/75/48/1128637548.db2.gz NGOFWECMCVKHTE-DLBZAZTESA-N 2 1 264.457 3.539 20 0 CHADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000073656712 1128646620 /nfs/dbraw/zinc/64/66/20/1128646620.db2.gz IXDNIBGGPCJLNV-FXAWDEMLSA-N 2 1 294.442 3.829 20 0 CHADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000073656712 1128646622 /nfs/dbraw/zinc/64/66/22/1128646622.db2.gz IXDNIBGGPCJLNV-FXAWDEMLSA-N 2 1 294.442 3.829 20 0 CHADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccccc1Oc1ccccc1 ZINC000574924316 1128665194 /nfs/dbraw/zinc/66/51/94/1128665194.db2.gz CKGURYRNMXEWDU-DOTOQJQBSA-N 2 1 296.414 3.791 20 0 CHADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccccc1Oc1ccccc1 ZINC000574924316 1128665196 /nfs/dbraw/zinc/66/51/96/1128665196.db2.gz CKGURYRNMXEWDU-DOTOQJQBSA-N 2 1 296.414 3.791 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314504 1128714698 /nfs/dbraw/zinc/71/46/98/1128714698.db2.gz PJTYPNZIVTWWFT-KURKYZTESA-N 2 1 278.484 3.690 20 0 CHADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)s1 ZINC000135199209 1128715977 /nfs/dbraw/zinc/71/59/77/1128715977.db2.gz LBKPZSPCSLLRRF-AEGPPILISA-N 2 1 278.465 3.642 20 0 CHADMP C[C@H](F)CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000351872597 1117757881 /nfs/dbraw/zinc/75/78/81/1117757881.db2.gz DWJLZRHWFIQPEO-XYJFISCASA-N 2 1 292.442 3.719 20 0 CHADMP C[C@H](F)CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000351872597 1117757889 /nfs/dbraw/zinc/75/78/89/1117757889.db2.gz DWJLZRHWFIQPEO-XYJFISCASA-N 2 1 292.442 3.719 20 0 CHADMP C[C@H](F)CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000351872597 1117757894 /nfs/dbraw/zinc/75/78/94/1117757894.db2.gz DWJLZRHWFIQPEO-XYJFISCASA-N 2 1 292.442 3.719 20 0 CHADMP C[C@H](F)CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000351872597 1117757900 /nfs/dbraw/zinc/75/79/00/1117757900.db2.gz DWJLZRHWFIQPEO-XYJFISCASA-N 2 1 292.442 3.719 20 0 CHADMP Cc1cc(NCC[N@@H+]2CCC[C@H](C)C2)c2ccccc2[nH+]1 ZINC000195667324 1128734984 /nfs/dbraw/zinc/73/49/84/1128734984.db2.gz NHBODNUGPUTQRC-AWEZNQCLSA-N 2 1 283.419 3.687 20 0 CHADMP CC(C)CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C(C)(C)C ZINC000579767066 1117783256 /nfs/dbraw/zinc/78/32/56/1117783256.db2.gz AOVUELUGFPVWQT-RDJZCZTQSA-N 2 1 280.500 3.911 20 0 CHADMP CCN1CCC([NH2+][C@@H](C)c2cc3ccccc3o2)CC1 ZINC000035011412 1117790113 /nfs/dbraw/zinc/79/01/13/1117790113.db2.gz AAQTWYVERMHHFR-ZDUSSCGKSA-N 2 1 272.392 3.568 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000034996405 1117790305 /nfs/dbraw/zinc/79/03/05/1117790305.db2.gz LMFLYUIPPOBKKI-HZPDHXFCSA-N 2 1 266.473 3.665 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(F)ccc1F ZINC000643546702 1117792227 /nfs/dbraw/zinc/79/22/27/1117792227.db2.gz SWCUYLSRQZCABH-CJNGLKHVSA-N 2 1 294.389 3.680 20 0 CHADMP Cc1ccc([C@@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)C2CCC2)o1 ZINC000643547466 1117796573 /nfs/dbraw/zinc/79/65/73/1117796573.db2.gz FVACGBYYTCOMOI-RDJZCZTQSA-N 2 1 288.435 3.694 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CCCSc2ccccc2)CC1(C)C ZINC000623339149 1117833748 /nfs/dbraw/zinc/83/37/48/1117833748.db2.gz LVPNFGNLXOLXQB-OAHLLOKOSA-N 2 1 292.492 3.631 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CCc2cccc3ccccc32)CC1(C)C ZINC000623356794 1117840197 /nfs/dbraw/zinc/84/01/97/1117840197.db2.gz HLNCYYOKNKKXHP-SFHVURJKSA-N 2 1 296.458 3.845 20 0 CHADMP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623398680 1117849452 /nfs/dbraw/zinc/84/94/52/1117849452.db2.gz MNZXIYSSRXXADE-QZTJIDSGSA-N 2 1 288.479 3.860 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+][C@@H](c2ccccc2)C2CCC2)CC1(C)C ZINC000623401030 1117851533 /nfs/dbraw/zinc/85/15/33/1117851533.db2.gz OOMIRXQJZIKAQM-MSOLQXFVSA-N 2 1 286.463 3.990 20 0 CHADMP CC/C=C\CCCCC[N@@H+]1CC[C@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001236364575 1128738698 /nfs/dbraw/zinc/73/86/98/1128738698.db2.gz YWBPIOUELJATHQ-TYHIMRJMSA-N 2 1 292.389 3.725 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CC[C@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001236364575 1128738701 /nfs/dbraw/zinc/73/87/01/1128738701.db2.gz YWBPIOUELJATHQ-TYHIMRJMSA-N 2 1 292.389 3.725 20 0 CHADMP CCCC[C@@H](CCC)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623440086 1117857366 /nfs/dbraw/zinc/85/73/66/1117857366.db2.gz IJLJWPRGZZFMKG-CABCVRRESA-N 2 1 254.462 3.808 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3sccc3c2)CC1(C)C ZINC000623527315 1117867070 /nfs/dbraw/zinc/86/70/70/1117867070.db2.gz OXBAYVSRSLDUMO-HNNXBMFYSA-N 2 1 288.460 3.864 20 0 CHADMP CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623537856 1117869490 /nfs/dbraw/zinc/86/94/90/1117869490.db2.gz KOXJRTQQDOGCNK-GJZGRUSLSA-N 2 1 252.446 3.584 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)[C@H]1CCC[C@@H](C)C1 ZINC000623543442 1117870139 /nfs/dbraw/zinc/87/01/39/1117870139.db2.gz RULUEHSOCPZEML-UGUYLWEFSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C1CCSCC1 ZINC000109068002 1117871191 /nfs/dbraw/zinc/87/11/91/1117871191.db2.gz ZLHMHFCPPDXNRY-UHFFFAOYSA-N 2 1 292.492 3.512 20 0 CHADMP C([NH2+]C1CCSCC1)[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000109077272 1117874828 /nfs/dbraw/zinc/87/48/28/1117874828.db2.gz KNTNUIKOBLLXEL-KRWDZBQOSA-N 2 1 296.524 3.516 20 0 CHADMP CCCCCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185725251 1117879024 /nfs/dbraw/zinc/87/90/24/1117879024.db2.gz UOFUTKNBNHUFID-HZPDHXFCSA-N 2 1 266.473 3.809 20 0 CHADMP CC(C)[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000623656802 1117884780 /nfs/dbraw/zinc/88/47/80/1117884780.db2.gz CELMSXRUZBHTOX-IEBWSBKVSA-N 2 1 288.479 3.748 20 0 CHADMP CC(C)Oc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1 ZINC000179535554 1117907583 /nfs/dbraw/zinc/90/75/83/1117907583.db2.gz YINPIIHMLYDOKZ-NVXWUHKLSA-N 2 1 290.451 3.609 20 0 CHADMP CC[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000579288063 1128743086 /nfs/dbraw/zinc/74/30/86/1128743086.db2.gz IDMDKTJQHXIGKQ-DSLXNQLJSA-N 2 1 286.463 3.675 20 0 CHADMP CC[C@H](CCc1ccccc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000623999574 1117967496 /nfs/dbraw/zinc/96/74/96/1117967496.db2.gz VEFFVVYMTWIPNL-RTBURBONSA-N 2 1 288.479 3.719 20 0 CHADMP CCCC[N@@H+](C)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208929458 1117969373 /nfs/dbraw/zinc/96/93/73/1117969373.db2.gz SPDFBMBVPDQWNG-SFHVURJKSA-N 2 1 274.452 3.631 20 0 CHADMP CCCC[NH+](C)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208929458 1117969376 /nfs/dbraw/zinc/96/93/76/1117969376.db2.gz SPDFBMBVPDQWNG-SFHVURJKSA-N 2 1 274.452 3.631 20 0 CHADMP CCCC[NH+](C)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208929458 1117969377 /nfs/dbraw/zinc/96/93/77/1117969377.db2.gz SPDFBMBVPDQWNG-SFHVURJKSA-N 2 1 274.452 3.631 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)c(F)c1 ZINC000624122461 1117984799 /nfs/dbraw/zinc/98/47/99/1117984799.db2.gz RTCBCGDBDHGUEE-CHWSQXEVSA-N 2 1 298.833 3.862 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)s1 ZINC000624120311 1117985109 /nfs/dbraw/zinc/98/51/09/1117985109.db2.gz WCKTYCOLSGOBDB-KBPBESRZSA-N 2 1 280.481 3.693 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1C ZINC000624120429 1117985438 /nfs/dbraw/zinc/98/54/38/1117985438.db2.gz YWRSRYUBFZLOQS-IAGOWNOFSA-N 2 1 274.452 3.686 20 0 CHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000624121801 1117985622 /nfs/dbraw/zinc/98/56/22/1117985622.db2.gz DFAXQORYFKILPH-DYVFJYSZSA-N 2 1 292.854 3.649 20 0 CHADMP Cc1cccc(CC[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000624120665 1117986065 /nfs/dbraw/zinc/98/60/65/1117986065.db2.gz DPHCEYKUJMPWOZ-HKUYNNGSSA-N 2 1 288.479 3.638 20 0 CHADMP CC(C)[C@H](C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000232752745 1117988457 /nfs/dbraw/zinc/98/84/57/1117988457.db2.gz ULQLUEHZVOXXFG-HKUYNNGSSA-N 2 1 288.479 3.746 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000353816455 1117996657 /nfs/dbraw/zinc/99/66/57/1117996657.db2.gz MOKHSSATWKATFR-IPFAQRCESA-N 2 1 284.447 3.570 20 0 CHADMP C[C@@H]1C[C@@H](N(C)C/C=C\Cl)CC[N@H+]1Cc1ccccc1 ZINC000255030215 1118001977 /nfs/dbraw/zinc/00/19/77/1118001977.db2.gz ZITOFNBEHQSHSQ-MIUTZJKYSA-N 2 1 292.854 3.724 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H](CC2CCC2)c2ccccc2)CC[N@@H+]1C ZINC000181814076 1118007008 /nfs/dbraw/zinc/00/70/08/1118007008.db2.gz IUVKCVNHBJKIAT-LZQZEXGQSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H](CC2CCC2)c2ccccc2)CC[N@H+]1C ZINC000181814076 1118007012 /nfs/dbraw/zinc/00/70/12/1118007012.db2.gz IUVKCVNHBJKIAT-LZQZEXGQSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@@H](CC[NH2+][C@@H](C)C1(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000361735383 1118030651 /nfs/dbraw/zinc/03/06/51/1118030651.db2.gz IVTAHDWYWNWZIX-HOTGVXAUSA-N 2 1 274.452 3.675 20 0 CHADMP CCc1ccc([C@@H](CC)[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000037644301 1118033692 /nfs/dbraw/zinc/03/36/92/1118033692.db2.gz OPCSDHWVIFNUBL-FUHWJXTLSA-N 2 1 274.452 3.632 20 0 CHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(F)c2F)C1 ZINC000183258423 1118041808 /nfs/dbraw/zinc/04/18/08/1118041808.db2.gz MCGVOMLGOINEGE-UONOGXRCSA-N 2 1 296.405 3.736 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(F)c2F)C1 ZINC000183258423 1118041813 /nfs/dbraw/zinc/04/18/13/1118041813.db2.gz MCGVOMLGOINEGE-UONOGXRCSA-N 2 1 296.405 3.736 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccccc1-c1ccccc1 ZINC000748096607 1118049713 /nfs/dbraw/zinc/04/97/13/1118049713.db2.gz YFRIWSJSUFMKSK-UHFFFAOYSA-N 2 1 291.398 3.648 20 0 CHADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001209431481 1118053013 /nfs/dbraw/zinc/05/30/13/1118053013.db2.gz OQBKHMNBDZLFJD-MISYRCLQSA-N 2 1 298.474 3.631 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001209431481 1118053019 /nfs/dbraw/zinc/05/30/19/1118053019.db2.gz OQBKHMNBDZLFJD-MISYRCLQSA-N 2 1 298.474 3.631 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001209431481 1118053024 /nfs/dbraw/zinc/05/30/24/1118053024.db2.gz OQBKHMNBDZLFJD-MISYRCLQSA-N 2 1 298.474 3.631 20 0 CHADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000579897823 1118100329 /nfs/dbraw/zinc/10/03/29/1118100329.db2.gz LVZMISUGNBJXKC-JQHSSLGASA-N 2 1 274.452 3.641 20 0 CHADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000579897823 1118100330 /nfs/dbraw/zinc/10/03/30/1118100330.db2.gz LVZMISUGNBJXKC-JQHSSLGASA-N 2 1 274.452 3.641 20 0 CHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccnc(Cl)c1 ZINC000764635015 1118103513 /nfs/dbraw/zinc/10/35/13/1118103513.db2.gz HUAYSZSNRLNLFH-UONOGXRCSA-N 2 1 295.858 3.650 20 0 CHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccnc(Cl)c1 ZINC000764635015 1118103517 /nfs/dbraw/zinc/10/35/17/1118103517.db2.gz HUAYSZSNRLNLFH-UONOGXRCSA-N 2 1 295.858 3.650 20 0 CHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3coc4ccccc34)C2)CC1 ZINC000349195611 1118124254 /nfs/dbraw/zinc/12/42/54/1118124254.db2.gz SYCASFYUUIGKQB-MRXNPFEDSA-N 2 1 298.430 3.597 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225880226 1118168087 /nfs/dbraw/zinc/16/80/87/1118168087.db2.gz GRZZCLVXZYBMMO-UNEWFSDZSA-N 2 1 292.854 3.865 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225880226 1118168088 /nfs/dbraw/zinc/16/80/88/1118168088.db2.gz GRZZCLVXZYBMMO-UNEWFSDZSA-N 2 1 292.854 3.865 20 0 CHADMP CCC[C@H](Cc1ccccc1)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000121449573 1118230181 /nfs/dbraw/zinc/23/01/81/1118230181.db2.gz CLCDIPRKOXFOEV-QFBILLFUSA-N 2 1 299.462 3.829 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)s1 ZINC000037649001 1118278571 /nfs/dbraw/zinc/27/85/71/1118278571.db2.gz QAWVEPSWFQTTAG-QWRGUYRKSA-N 2 1 284.856 3.536 20 0 CHADMP Cn1c[nH+]cc1CC[NH2+]C1CCC(C2CCCCC2)CC1 ZINC000683692589 1118288286 /nfs/dbraw/zinc/28/82/86/1118288286.db2.gz WMSAUGJDFIOPLG-UHFFFAOYSA-N 2 1 289.467 3.691 20 0 CHADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001167326847 1118298798 /nfs/dbraw/zinc/29/87/98/1118298798.db2.gz UQAIKMYWLQAOJI-AKHDSKFASA-N 2 1 290.495 3.621 20 0 CHADMP Cc1ccoc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282251478 1118309810 /nfs/dbraw/zinc/30/98/10/1118309810.db2.gz BFVVXBLUMLJZMV-OAHLLOKOSA-N 2 1 299.418 3.500 20 0 CHADMP Cc1ccoc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282251478 1118309815 /nfs/dbraw/zinc/30/98/15/1118309815.db2.gz BFVVXBLUMLJZMV-OAHLLOKOSA-N 2 1 299.418 3.500 20 0 CHADMP CC(C)c1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123578125 1118339556 /nfs/dbraw/zinc/33/95/56/1118339556.db2.gz DBFCCOLSOIVMCP-YJBOKZPZSA-N 2 1 274.452 3.725 20 0 CHADMP CC(C)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123578125 1118339562 /nfs/dbraw/zinc/33/95/62/1118339562.db2.gz DBFCCOLSOIVMCP-YJBOKZPZSA-N 2 1 274.452 3.725 20 0 CHADMP CC(C)c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000123578125 1118339566 /nfs/dbraw/zinc/33/95/66/1118339566.db2.gz DBFCCOLSOIVMCP-YJBOKZPZSA-N 2 1 274.452 3.725 20 0 CHADMP CC(C)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000123578125 1118339572 /nfs/dbraw/zinc/33/95/72/1118339572.db2.gz DBFCCOLSOIVMCP-YJBOKZPZSA-N 2 1 274.452 3.725 20 0 CHADMP CCC[C@H](C[N@@H+](C)C1CCC([NH3+])CC1)c1ccccc1 ZINC000843055432 1118341735 /nfs/dbraw/zinc/34/17/35/1118341735.db2.gz BXPDYIHUZJORAO-WWDZGPRUSA-N 2 1 274.452 3.772 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000671770527 1118363671 /nfs/dbraw/zinc/36/36/71/1118363671.db2.gz DLHGPTUQAAOGBD-ZFWWWQNUSA-N 2 1 288.426 3.664 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000671770527 1118363679 /nfs/dbraw/zinc/36/36/79/1118363679.db2.gz DLHGPTUQAAOGBD-ZFWWWQNUSA-N 2 1 288.426 3.664 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc3cnccc3c2)CC1 ZINC000683825124 1118389820 /nfs/dbraw/zinc/38/98/20/1118389820.db2.gz SNJDNEPYHDZKDR-UHFFFAOYSA-N 2 1 297.446 3.539 20 0 CHADMP Cc1cc(N[C@@H](C)C[N@@H+](C)C(C)C)c2ccccc2[nH+]1 ZINC000312725571 1118395672 /nfs/dbraw/zinc/39/56/72/1118395672.db2.gz RYDDOCSXROVJKZ-AWEZNQCLSA-N 2 1 271.408 3.684 20 0 CHADMP CC(C)C[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000086818009 1118397083 /nfs/dbraw/zinc/39/70/83/1118397083.db2.gz FTNIRVXXCOVQSP-ROUUACIJSA-N 2 1 274.452 3.848 20 0 CHADMP CC(C)C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000086818010 1118397850 /nfs/dbraw/zinc/39/78/50/1118397850.db2.gz FTNIRVXXCOVQSP-ZWKOTPCHSA-N 2 1 274.452 3.848 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](C)CC(C)(C)C ZINC001657849976 1118460004 /nfs/dbraw/zinc/46/00/04/1118460004.db2.gz RTYFASOVNLVUMD-AWEZNQCLSA-N 2 1 265.445 3.586 20 0 CHADMP Cc1nccn1CCC[N@H+](C)C[C@@H](C)CC(C)(C)C ZINC001657849976 1118460000 /nfs/dbraw/zinc/46/00/00/1118460000.db2.gz RTYFASOVNLVUMD-AWEZNQCLSA-N 2 1 265.445 3.586 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](C)CC(C)(C)C ZINC001657849976 1118460002 /nfs/dbraw/zinc/46/00/02/1118460002.db2.gz RTYFASOVNLVUMD-AWEZNQCLSA-N 2 1 265.445 3.586 20 0 CHADMP C[NH2+]Cc1ccc(Nc2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC001211128340 1118469546 /nfs/dbraw/zinc/46/95/46/1118469546.db2.gz BQIHIGLKFVDZCH-UHFFFAOYSA-N 2 1 292.386 3.644 20 0 CHADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC001649270670 1118475920 /nfs/dbraw/zinc/47/59/20/1118475920.db2.gz WIJYMVRCPFWBQI-IXDOHACOSA-N 2 1 266.473 3.809 20 0 CHADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC001649270670 1118475921 /nfs/dbraw/zinc/47/59/21/1118475921.db2.gz WIJYMVRCPFWBQI-IXDOHACOSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@@H](C1CC1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000782190895 1118477031 /nfs/dbraw/zinc/47/70/31/1118477031.db2.gz WCWZCDXEKHOOGG-HOTGVXAUSA-N 2 1 278.484 3.761 20 0 CHADMP CCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398221892 1118500724 /nfs/dbraw/zinc/50/07/24/1118500724.db2.gz WLURAPPLWUSSDJ-RYRKJORJSA-N 2 1 274.452 3.675 20 0 CHADMP CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398221892 1118500728 /nfs/dbraw/zinc/50/07/28/1118500728.db2.gz WLURAPPLWUSSDJ-RYRKJORJSA-N 2 1 274.452 3.675 20 0 CHADMP Cc1ccccc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000580841144 1118512574 /nfs/dbraw/zinc/51/25/74/1118512574.db2.gz IGZNFPCKQNYEMK-QFBILLFUSA-N 2 1 294.442 3.974 20 0 CHADMP CCC1CCC([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000398295760 1118517535 /nfs/dbraw/zinc/51/75/35/1118517535.db2.gz JFUZXLNAIXELHF-CXQXYQMASA-N 2 1 298.474 3.675 20 0 CHADMP CCC1CCC([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000398295760 1118517538 /nfs/dbraw/zinc/51/75/38/1118517538.db2.gz JFUZXLNAIXELHF-CXQXYQMASA-N 2 1 298.474 3.675 20 0 CHADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001167443167 1118534863 /nfs/dbraw/zinc/53/48/63/1118534863.db2.gz NYKOFSXKCKXIFA-SQNIBIBYSA-N 2 1 278.484 3.763 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCC(C)(C)C)C1 ZINC000306041020 1118583898 /nfs/dbraw/zinc/58/38/98/1118583898.db2.gz NGRJOWRHOPDJFB-CABCVRRESA-N 2 1 254.462 3.521 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000605421248 1118601563 /nfs/dbraw/zinc/60/15/63/1118601563.db2.gz NFXBEFAAFXVGQI-KGLIPLIRSA-N 2 1 280.843 3.675 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000605421248 1118601566 /nfs/dbraw/zinc/60/15/66/1118601566.db2.gz NFXBEFAAFXVGQI-KGLIPLIRSA-N 2 1 280.843 3.675 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000605421248 1118601559 /nfs/dbraw/zinc/60/15/59/1118601559.db2.gz NFXBEFAAFXVGQI-KGLIPLIRSA-N 2 1 280.843 3.675 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000605421248 1118601562 /nfs/dbraw/zinc/60/15/62/1118601562.db2.gz NFXBEFAAFXVGQI-KGLIPLIRSA-N 2 1 280.843 3.675 20 0 CHADMP C[N@@H+](CCC[NH2+]C1CCC(F)(F)CC1)Cc1ccccc1 ZINC000647168759 1118639697 /nfs/dbraw/zinc/63/96/97/1118639697.db2.gz KNXJSCFTZLDHTH-UHFFFAOYSA-N 2 1 296.405 3.676 20 0 CHADMP Clc1ccsc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656783064 1118654539 /nfs/dbraw/zinc/65/45/39/1118654539.db2.gz NQAXFWBWJPUVNR-CYBMUJFWSA-N 2 1 298.883 3.613 20 0 CHADMP CC[N@@H+](CC1CC[NH+](C)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000891733529 1118752953 /nfs/dbraw/zinc/75/29/53/1118752953.db2.gz CNLFXMZKHDZSDS-AWEZNQCLSA-N 2 1 278.415 3.550 20 0 CHADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000131629289 1118762219 /nfs/dbraw/zinc/76/22/19/1118762219.db2.gz GEKLZVNQBKDHPD-ILXRZTDVSA-N 2 1 268.404 3.570 20 0 CHADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)c2ccccc21 ZINC000131949743 1118778305 /nfs/dbraw/zinc/77/83/05/1118778305.db2.gz FEJWGHNWNCJPOM-HOTGVXAUSA-N 2 1 272.779 3.574 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000510756982 1118807245 /nfs/dbraw/zinc/80/72/45/1118807245.db2.gz UIIZUUKPIQAFBW-IKGGRYGDSA-N 2 1 284.463 3.759 20 0 CHADMP FCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000510748958 1118807433 /nfs/dbraw/zinc/80/74/33/1118807433.db2.gz DNWMJNNZWCTJAC-BZSNNMDCSA-N 2 1 296.474 3.759 20 0 CHADMP FCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000510748958 1118807438 /nfs/dbraw/zinc/80/74/38/1118807438.db2.gz DNWMJNNZWCTJAC-BZSNNMDCSA-N 2 1 296.474 3.759 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000510756984 1118807887 /nfs/dbraw/zinc/80/78/87/1118807887.db2.gz UIIZUUKPIQAFBW-ZACQAIPSSA-N 2 1 284.463 3.759 20 0 CHADMP c1cc(C2CC2)ccc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000133618961 1118865375 /nfs/dbraw/zinc/86/53/75/1118865375.db2.gz OEGUVEHYQPRKIP-UHFFFAOYSA-N 2 1 284.447 3.528 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CC[C@@H]4CCC[C@H]34)C2)cc1 ZINC000707741146 1118895879 /nfs/dbraw/zinc/89/58/79/1118895879.db2.gz WGPWSSLXVKNUSQ-FUMNGEBKSA-N 2 1 298.474 3.677 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000511009722 1118943172 /nfs/dbraw/zinc/94/31/72/1118943172.db2.gz CMCAPVREWLBVPP-MOPGFXCFSA-N 2 1 297.446 3.816 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000226449420 1118971569 /nfs/dbraw/zinc/97/15/69/1118971569.db2.gz IPELVIZSSPKJQG-NVXWUHKLSA-N 2 1 282.431 3.975 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC000582095533 1119006961 /nfs/dbraw/zinc/00/69/61/1119006961.db2.gz VXRHOMMCVIDJMN-ZWKOTPCHSA-N 2 1 272.436 3.698 20 0 CHADMP Cc1cccc2[nH]c(C[NH2+]C3CC([NH+]4CCCCC4)C3)cc21 ZINC000657458000 1119110018 /nfs/dbraw/zinc/11/00/18/1119110018.db2.gz UPYATOFPQQELBY-UHFFFAOYSA-N 2 1 297.446 3.583 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916489 1119183945 /nfs/dbraw/zinc/18/39/45/1119183945.db2.gz PCTSCVWFNUEZCS-KMFMINBZSA-N 2 1 292.854 3.865 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916489 1119183946 /nfs/dbraw/zinc/18/39/46/1119183946.db2.gz PCTSCVWFNUEZCS-KMFMINBZSA-N 2 1 292.854 3.865 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916423 1119184161 /nfs/dbraw/zinc/18/41/61/1119184161.db2.gz GRZZCLVXZYBMMO-KMFMINBZSA-N 2 1 292.854 3.865 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916423 1119184164 /nfs/dbraw/zinc/18/41/64/1119184164.db2.gz GRZZCLVXZYBMMO-KMFMINBZSA-N 2 1 292.854 3.865 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000342863776 1119216288 /nfs/dbraw/zinc/21/62/88/1119216288.db2.gz JODVRGGEWIXIFA-IBGZPJMESA-N 2 1 295.430 3.734 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000342863776 1119216289 /nfs/dbraw/zinc/21/62/89/1119216289.db2.gz JODVRGGEWIXIFA-IBGZPJMESA-N 2 1 295.430 3.734 20 0 CHADMP c1ccc(C[C@H]2CCC[C@H]2[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000119702729 1119220448 /nfs/dbraw/zinc/22/04/48/1119220448.db2.gz TUSLHFRYFOBKEU-YLJYHZDGSA-N 2 1 298.474 3.614 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CCN(c2cc(C)[nH+]c3ccccc32)C1 ZINC000078563002 1119234084 /nfs/dbraw/zinc/23/40/84/1119234084.db2.gz BRXRIJYXHDYPAB-MRXNPFEDSA-N 2 1 297.446 3.711 20 0 CHADMP CC(C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000090955667 1119254008 /nfs/dbraw/zinc/25/40/08/1119254008.db2.gz GHDAFUMVJWEOOM-IAGOWNOFSA-N 2 1 278.484 3.809 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)s1 ZINC000121412002 1119262161 /nfs/dbraw/zinc/26/21/61/1119262161.db2.gz XGWLRWUUWFPOIG-WCQYABFASA-N 2 1 277.437 3.548 20 0 CHADMP CCC[C@H](C)CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC001167648737 1119274215 /nfs/dbraw/zinc/27/42/15/1119274215.db2.gz XORLRLKPZJNTEY-GVDBMIGSSA-N 2 1 266.473 3.619 20 0 CHADMP CCC[C@H](C)CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001167648737 1119274218 /nfs/dbraw/zinc/27/42/18/1119274218.db2.gz XORLRLKPZJNTEY-GVDBMIGSSA-N 2 1 266.473 3.619 20 0 CHADMP CCC[C@H](C)CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC001167648737 1119274222 /nfs/dbraw/zinc/27/42/22/1119274222.db2.gz XORLRLKPZJNTEY-GVDBMIGSSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@H](C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)C1CCCCC1 ZINC000569628310 1119346630 /nfs/dbraw/zinc/34/66/30/1119346630.db2.gz ALWNAOSLOBRJAD-NVXWUHKLSA-N 2 1 266.473 3.619 20 0 CHADMP Cc1c(Cl)cccc1C[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC001204607940 1119364985 /nfs/dbraw/zinc/36/49/85/1119364985.db2.gz ATSKEXNHFFSSQE-DOMZBBRYSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1c(Cl)cccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC001204607940 1119364986 /nfs/dbraw/zinc/36/49/86/1119364986.db2.gz ATSKEXNHFFSSQE-DOMZBBRYSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1c(Cl)cccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC001204607940 1119364996 /nfs/dbraw/zinc/36/49/96/1119364996.db2.gz ATSKEXNHFFSSQE-DOMZBBRYSA-N 2 1 280.843 3.563 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC2(CCC2)C1 ZINC000448066295 1119370936 /nfs/dbraw/zinc/37/09/36/1119370936.db2.gz DBVXPVXQMUIOAZ-APWZRJJASA-N 2 1 298.474 3.819 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC2(CCC2)C1 ZINC000448066295 1119370937 /nfs/dbraw/zinc/37/09/37/1119370937.db2.gz DBVXPVXQMUIOAZ-APWZRJJASA-N 2 1 298.474 3.819 20 0 CHADMP CCC(CC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566620059 1119382134 /nfs/dbraw/zinc/38/21/34/1119382134.db2.gz ZLPBRSFDTJJVIX-GOSISDBHSA-N 2 1 286.463 3.962 20 0 CHADMP CCC(CC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566620059 1119382137 /nfs/dbraw/zinc/38/21/37/1119382137.db2.gz ZLPBRSFDTJJVIX-GOSISDBHSA-N 2 1 286.463 3.962 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C)cc2C)C1 ZINC000151126520 1119405297 /nfs/dbraw/zinc/40/52/97/1119405297.db2.gz KRFGQEGXPQBAGA-DLBZAZTESA-N 2 1 274.452 3.686 20 0 CHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2C2CCCCC2)C[C@H](C)[NH2+]1 ZINC000708386421 1119423469 /nfs/dbraw/zinc/42/34/69/1119423469.db2.gz MIINRQHBYMWJFW-FSDCSDTHSA-N 2 1 264.457 3.560 20 0 CHADMP CCC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CC1(C)C ZINC000397800825 1119445310 /nfs/dbraw/zinc/44/53/10/1119445310.db2.gz RJZVXMIGXIHIKW-SLUKUZTOSA-N 2 1 278.484 3.806 20 0 CHADMP CCC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CC1(C)C ZINC000397800825 1119445312 /nfs/dbraw/zinc/44/53/12/1119445312.db2.gz RJZVXMIGXIHIKW-SLUKUZTOSA-N 2 1 278.484 3.806 20 0 CHADMP C[N@@H+](Cc1c(Cl)cccc1Cl)C1CCC([NH3+])CC1 ZINC000091844761 1119483304 /nfs/dbraw/zinc/48/33/04/1119483304.db2.gz LPJWKFSBAQPLNQ-UHFFFAOYSA-N 2 1 287.234 3.695 20 0 CHADMP CCOc1ccccc1[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623385014 1119485374 /nfs/dbraw/zinc/48/53/74/1119485374.db2.gz YGCSGIDPMOHJLD-CABCVRRESA-N 2 1 290.451 3.609 20 0 CHADMP CCOc1ccccc1[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623385014 1119485378 /nfs/dbraw/zinc/48/53/78/1119485378.db2.gz YGCSGIDPMOHJLD-CABCVRRESA-N 2 1 290.451 3.609 20 0 CHADMP CCOC1CCC([NH2+]CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000657837159 1119493343 /nfs/dbraw/zinc/49/33/43/1119493343.db2.gz DVLMLLCCJMLSFB-WWDZGPRUSA-N 2 1 296.499 3.578 20 0 CHADMP C[N@@H+](CCCn1ccnc1)[C@@H]1CCc2ccc(Cl)cc21 ZINC000343724821 1119495446 /nfs/dbraw/zinc/49/54/46/1119495446.db2.gz ZCUGGTZYYDAFQA-MRXNPFEDSA-N 2 1 289.810 3.546 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCCSCC2)C1 ZINC000657838474 1119495834 /nfs/dbraw/zinc/49/58/34/1119495834.db2.gz BMYBCSCMLHBERZ-IXDOHACOSA-N 2 1 298.540 3.620 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C(C)(C)C(F)F ZINC000657838797 1119502803 /nfs/dbraw/zinc/50/28/03/1119502803.db2.gz YFOGVKJJBSOBIL-KBPBESRZSA-N 2 1 290.442 3.768 20 0 CHADMP C[C@@H]([NH2+]C[C@@H](C1CCCCC1)[NH+](C)C)C(C)(C)C(F)F ZINC000657839803 1119503304 /nfs/dbraw/zinc/50/33/04/1119503304.db2.gz GXQFHCCLXJSUPJ-OCCSQVGLSA-N 2 1 290.442 3.766 20 0 CHADMP Clc1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)s1 ZINC000080933652 1119505901 /nfs/dbraw/zinc/50/59/01/1119505901.db2.gz PHRQSYMOKNSNOU-SNVBAGLBSA-N 2 1 281.812 3.504 20 0 CHADMP Clc1ccc(CN2CCC[C@@H](c3ncc[nH]3)C2)s1 ZINC000080933652 1119505903 /nfs/dbraw/zinc/50/59/03/1119505903.db2.gz PHRQSYMOKNSNOU-SNVBAGLBSA-N 2 1 281.812 3.504 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cc2ccccc2[nH]1 ZINC000926575136 1119581623 /nfs/dbraw/zinc/58/16/23/1119581623.db2.gz XTVICLKHQAUBJQ-HUUCEWRRSA-N 2 1 285.435 3.550 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)C(C)(C)C(F)F)c1 ZINC000657872971 1119587526 /nfs/dbraw/zinc/58/75/26/1119587526.db2.gz VCHWKJCFQJEXCY-CYBMUJFWSA-N 2 1 298.421 3.908 20 0 CHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CC1CCCC1 ZINC000685456403 1119610038 /nfs/dbraw/zinc/61/00/38/1119610038.db2.gz BTFUOZMAPFLDRD-UHFFFAOYSA-N 2 1 274.452 3.760 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000685455660 1119610961 /nfs/dbraw/zinc/61/09/61/1119610961.db2.gz DYEPLTZXKGRUAL-ULQDDVLXSA-N 2 1 268.489 3.767 20 0 CHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccccc3C3CC3)C2)CC1 ZINC000685462831 1119611037 /nfs/dbraw/zinc/61/10/37/1119611037.db2.gz OSLUDFMSYKMWIK-GOSISDBHSA-N 2 1 298.474 3.728 20 0 CHADMP CCCc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000685470721 1119612292 /nfs/dbraw/zinc/61/22/92/1119612292.db2.gz LBZSUMNTSXDGKY-RTBURBONSA-N 2 1 286.463 3.555 20 0 CHADMP CCCc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000685470721 1119612293 /nfs/dbraw/zinc/61/22/93/1119612293.db2.gz LBZSUMNTSXDGKY-RTBURBONSA-N 2 1 286.463 3.555 20 0 CHADMP CCCc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000685470721 1119612296 /nfs/dbraw/zinc/61/22/96/1119612296.db2.gz LBZSUMNTSXDGKY-RTBURBONSA-N 2 1 286.463 3.555 20 0 CHADMP CC(C)[C@H](C)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309650284 1119625419 /nfs/dbraw/zinc/62/54/19/1119625419.db2.gz GFNBGDUALZYRMN-WMZOPIPTSA-N 2 1 274.452 3.533 20 0 CHADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309697078 1119649842 /nfs/dbraw/zinc/64/98/42/1119649842.db2.gz FFZUTTYIINLWSI-NZSAHSFTSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309697076 1119649924 /nfs/dbraw/zinc/64/99/24/1119649924.db2.gz FFZUTTYIINLWSI-NEWSRXKRSA-N 2 1 286.463 3.677 20 0 CHADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000093770452 1119661199 /nfs/dbraw/zinc/66/11/99/1119661199.db2.gz ILSCYVFIXQWCQH-CQSZACIVSA-N 2 1 294.508 3.819 20 0 CHADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000093770452 1119661203 /nfs/dbraw/zinc/66/12/03/1119661203.db2.gz ILSCYVFIXQWCQH-CQSZACIVSA-N 2 1 294.508 3.819 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000093770452 1119661205 /nfs/dbraw/zinc/66/12/05/1119661205.db2.gz ILSCYVFIXQWCQH-CQSZACIVSA-N 2 1 294.508 3.819 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000093770452 1119661209 /nfs/dbraw/zinc/66/12/09/1119661209.db2.gz ILSCYVFIXQWCQH-CQSZACIVSA-N 2 1 294.508 3.819 20 0 CHADMP CC(C)C[C@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccncc1 ZINC000658095627 1119681994 /nfs/dbraw/zinc/68/19/94/1119681994.db2.gz JTNHNACSDORGSS-SJORKVTESA-N 2 1 289.467 3.631 20 0 CHADMP CC(C)C[C@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccncc1 ZINC000658095627 1119681995 /nfs/dbraw/zinc/68/19/95/1119681995.db2.gz JTNHNACSDORGSS-SJORKVTESA-N 2 1 289.467 3.631 20 0 CHADMP CC1(C)C[C@]1(C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658305758 1119716564 /nfs/dbraw/zinc/71/65/64/1119716564.db2.gz UMEUBDLYLHANPB-DMUMMCEESA-N 2 1 298.474 3.960 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000340176107 1119744862 /nfs/dbraw/zinc/74/48/62/1119744862.db2.gz FINAYHVWFUKBSZ-MOPGFXCFSA-N 2 1 280.415 3.612 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000340176107 1119744864 /nfs/dbraw/zinc/74/48/64/1119744864.db2.gz FINAYHVWFUKBSZ-MOPGFXCFSA-N 2 1 280.415 3.612 20 0 CHADMP Cc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000647479974 1119784438 /nfs/dbraw/zinc/78/44/38/1119784438.db2.gz ZMATZNWXOOHEHH-NVXWUHKLSA-N 2 1 292.854 3.612 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000647479974 1119784441 /nfs/dbraw/zinc/78/44/41/1119784441.db2.gz ZMATZNWXOOHEHH-NVXWUHKLSA-N 2 1 292.854 3.612 20 0 CHADMP CCSc1cccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647482541 1119792886 /nfs/dbraw/zinc/79/28/86/1119792886.db2.gz NMPSKIVPQWAIGJ-UHFFFAOYSA-N 2 1 290.476 3.515 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000154774117 1119828625 /nfs/dbraw/zinc/82/86/25/1119828625.db2.gz XBHADJUHLPEPIY-CYBMUJFWSA-N 2 1 280.843 3.675 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cc2c(s1)CCC2 ZINC000414171243 1119925921 /nfs/dbraw/zinc/92/59/21/1119925921.db2.gz CWJXUXJMGQZPCL-ZIAGYGMSSA-N 2 1 292.492 3.619 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cc2c(s1)CCC2 ZINC000414171240 1119925986 /nfs/dbraw/zinc/92/59/86/1119925986.db2.gz CWJXUXJMGQZPCL-KBPBESRZSA-N 2 1 292.492 3.619 20 0 CHADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccs1 ZINC000414173955 1119926479 /nfs/dbraw/zinc/92/64/79/1119926479.db2.gz HCNHUKZGLHBFQE-KGLIPLIRSA-N 2 1 266.454 3.521 20 0 CHADMP Cc1cc(C)cc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000414177550 1119927823 /nfs/dbraw/zinc/92/78/23/1119927823.db2.gz JTIPYJNQMDMYKA-IAGOWNOFSA-N 2 1 274.452 3.686 20 0 CHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000414184861 1119930614 /nfs/dbraw/zinc/93/06/14/1119930614.db2.gz OOKAAPRQWTZBLG-CXAGYDPISA-N 2 1 292.854 3.649 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1Cl ZINC000414189022 1119931447 /nfs/dbraw/zinc/93/14/47/1119931447.db2.gz QVKCNCWNXXLJRV-UONOGXRCSA-N 2 1 280.843 3.723 20 0 CHADMP CSc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000414196665 1119934094 /nfs/dbraw/zinc/93/40/94/1119934094.db2.gz VSTYPZSQFGXFPV-LSDHHAIUSA-N 2 1 292.492 3.791 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCC2 ZINC000414199584 1119935382 /nfs/dbraw/zinc/93/53/82/1119935382.db2.gz XNLJNJRAOGHBCX-HZPDHXFCSA-N 2 1 286.463 3.558 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000613493106 1119941080 /nfs/dbraw/zinc/94/10/80/1119941080.db2.gz WTSCWGXKEGPIGY-UHFFFAOYSA-N 2 1 288.479 3.939 20 0 CHADMP CCC[N@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccccc1 ZINC001140803730 1119953228 /nfs/dbraw/zinc/95/32/28/1119953228.db2.gz UISFICSZJRKCQV-UHFFFAOYSA-N 2 1 279.387 3.975 20 0 CHADMP CCC[N@@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccccc1 ZINC001140803730 1119953232 /nfs/dbraw/zinc/95/32/32/1119953232.db2.gz UISFICSZJRKCQV-UHFFFAOYSA-N 2 1 279.387 3.975 20 0 CHADMP CCc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647542983 1120004094 /nfs/dbraw/zinc/00/40/94/1120004094.db2.gz FQUGLIGCALNKNU-HUUCEWRRSA-N 2 1 292.492 3.522 20 0 CHADMP c1oc2ccccc2c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544190 1120005556 /nfs/dbraw/zinc/00/55/56/1120005556.db2.gz YAUYBWDWMIIDBV-HOTGVXAUSA-N 2 1 298.430 3.644 20 0 CHADMP FC1CCC(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000647553133 1120010389 /nfs/dbraw/zinc/01/03/89/1120010389.db2.gz BPWFFMGKQLOVKJ-KXIUCKCTSA-N 2 1 290.426 3.598 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CC2(C)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000090220123 1120019884 /nfs/dbraw/zinc/01/98/84/1120019884.db2.gz HQQHFNWLVRPLBC-AEFFLSMTSA-N 2 1 286.463 3.819 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CC2(C)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000090220123 1120019888 /nfs/dbraw/zinc/01/98/88/1120019888.db2.gz HQQHFNWLVRPLBC-AEFFLSMTSA-N 2 1 286.463 3.819 20 0 CHADMP CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000187711276 1120032427 /nfs/dbraw/zinc/03/24/27/1120032427.db2.gz SNJYAUDQMBSQGL-UKRRQHHQSA-N 2 1 266.454 3.521 20 0 CHADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251538922 1128885780 /nfs/dbraw/zinc/88/57/80/1128885780.db2.gz ARIDXTVOXOLPDO-CKEIUWERSA-N 2 1 274.452 3.714 20 0 CHADMP Cc1ccccc1[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000472668548 1120139495 /nfs/dbraw/zinc/13/94/95/1120139495.db2.gz GWDNTMDAEFKDFM-MSOLQXFVSA-N 2 1 286.463 3.659 20 0 CHADMP Cc1ccccc1[C@@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000472668548 1120139496 /nfs/dbraw/zinc/13/94/96/1120139496.db2.gz GWDNTMDAEFKDFM-MSOLQXFVSA-N 2 1 286.463 3.659 20 0 CHADMP Cc1ccccc1[C@@H]1CC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000472668548 1120139498 /nfs/dbraw/zinc/13/94/98/1120139498.db2.gz GWDNTMDAEFKDFM-MSOLQXFVSA-N 2 1 286.463 3.659 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCCC1 ZINC000156175554 1120175653 /nfs/dbraw/zinc/17/56/53/1120175653.db2.gz OUMMPHCMRKBIQX-USXIJHARSA-N 2 1 264.457 3.562 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236819884 1128898615 /nfs/dbraw/zinc/89/86/15/1128898615.db2.gz OWSAQBWSZCNOGC-SRMUPAJBSA-N 2 1 264.457 3.572 20 0 CHADMP CC(C)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@H]1C ZINC000677519596 1120246056 /nfs/dbraw/zinc/24/60/56/1120246056.db2.gz KRIMJWQXYDBJMN-WKULXVSPSA-N 2 1 278.484 3.664 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@H]1C[C@H]1c1ccccc1 ZINC000338776018 1120297326 /nfs/dbraw/zinc/29/73/26/1120297326.db2.gz JEXAOJVSVQYUAJ-LZQZEXGQSA-N 2 1 297.446 3.754 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]C(C1CCC1)C1CCC1 ZINC000338778926 1120302158 /nfs/dbraw/zinc/30/21/58/1120302158.db2.gz SOMRTTVZOSRJAE-UHFFFAOYSA-N 2 1 275.440 3.530 20 0 CHADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000672603018 1120332594 /nfs/dbraw/zinc/33/25/94/1120332594.db2.gz JOGWLJYWTVXXNN-IPMKNSEASA-N 2 1 286.463 3.677 20 0 CHADMP Cc1ccc([C@@H](C)C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000628296182 1120396239 /nfs/dbraw/zinc/39/62/39/1120396239.db2.gz YVQGDIZMHVXSLD-PKOBYXMFSA-N 2 1 286.463 3.516 20 0 CHADMP Cc1ccc([C@@H](C)C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000628296182 1120396247 /nfs/dbraw/zinc/39/62/47/1120396247.db2.gz YVQGDIZMHVXSLD-PKOBYXMFSA-N 2 1 286.463 3.516 20 0 CHADMP Cc1ccc([C@@H](C)C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000628296182 1120396253 /nfs/dbraw/zinc/39/62/53/1120396253.db2.gz YVQGDIZMHVXSLD-PKOBYXMFSA-N 2 1 286.463 3.516 20 0 CHADMP Cc1ccc2ncc(C[NH2+][C@@H](C[NH3+])C3CCCCC3)cc2c1 ZINC000629539105 1128914653 /nfs/dbraw/zinc/91/46/53/1128914653.db2.gz ZBBAHJUNYOVXHC-IBGZPJMESA-N 2 1 297.446 3.540 20 0 CHADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417315848 1120423553 /nfs/dbraw/zinc/42/35/53/1120423553.db2.gz STCWZHUIWQHQJV-CBBWQLFWSA-N 2 1 280.481 3.560 20 0 CHADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417315848 1120423555 /nfs/dbraw/zinc/42/35/55/1120423555.db2.gz STCWZHUIWQHQJV-CBBWQLFWSA-N 2 1 280.481 3.560 20 0 CHADMP CCC[C@H](C)CCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564160 1128915989 /nfs/dbraw/zinc/91/59/89/1128915989.db2.gz RTKOLNLZPGCHEJ-BFHYXJOUSA-N 2 1 294.405 3.662 20 0 CHADMP CC(C)=CCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660257015 1120469928 /nfs/dbraw/zinc/46/99/28/1120469928.db2.gz PWZCBOHDTKVYQG-HOTGVXAUSA-N 2 1 264.457 3.585 20 0 CHADMP CCCCCC[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000765976872 1120476674 /nfs/dbraw/zinc/47/66/74/1120476674.db2.gz OLORYYXSHPQHAR-WMZOPIPTSA-N 2 1 296.499 3.578 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660306077 1120490600 /nfs/dbraw/zinc/49/06/00/1120490600.db2.gz NUIFBJWVQVOYOC-PKOFMYQESA-N 2 1 298.474 3.533 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222141282 1120493113 /nfs/dbraw/zinc/49/31/13/1120493113.db2.gz JPHFZMQOIUTUMP-MSOLQXFVSA-N 2 1 278.484 3.835 20 0 CHADMP CC[C@@H]1CCC[C@H](C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000543394384 1120506201 /nfs/dbraw/zinc/50/62/01/1120506201.db2.gz OAJHVDCEKVWGFG-VVLHAWIVSA-N 2 1 266.473 3.617 20 0 CHADMP CC[C@@H]1CCC[C@H](C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000543394384 1120506206 /nfs/dbraw/zinc/50/62/06/1120506206.db2.gz OAJHVDCEKVWGFG-VVLHAWIVSA-N 2 1 266.473 3.617 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000543394384 1120506209 /nfs/dbraw/zinc/50/62/09/1120506209.db2.gz OAJHVDCEKVWGFG-VVLHAWIVSA-N 2 1 266.473 3.617 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000543394384 1120506215 /nfs/dbraw/zinc/50/62/15/1120506215.db2.gz OAJHVDCEKVWGFG-VVLHAWIVSA-N 2 1 266.473 3.617 20 0 CHADMP CC1(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)CCCCC1 ZINC001222308621 1120533862 /nfs/dbraw/zinc/53/38/62/1120533862.db2.gz KSXHPPORGRUAIR-KRWDZBQOSA-N 2 1 264.457 3.565 20 0 CHADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCc2c1cccc2Cl ZINC000499936998 1120553448 /nfs/dbraw/zinc/55/34/48/1120553448.db2.gz RJNSPDCOZLVJSB-QGZVFWFLSA-N 2 1 292.854 3.745 20 0 CHADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000360860758 1120557617 /nfs/dbraw/zinc/55/76/17/1120557617.db2.gz YZROESHOPPFLPE-BXUZGUMPSA-N 2 1 298.883 3.807 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000783262930 1120591329 /nfs/dbraw/zinc/59/13/29/1120591329.db2.gz FCTFAFHKSHUODU-NEPXVJNWSA-N 2 1 286.463 3.675 20 0 CHADMP CC[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)CC1 ZINC000226334593 1120602012 /nfs/dbraw/zinc/60/20/12/1120602012.db2.gz ZQDCZGQTJCTVIL-CVEARBPZSA-N 2 1 254.462 3.665 20 0 CHADMP CC[C@H](C)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821501 1128932791 /nfs/dbraw/zinc/93/27/91/1128932791.db2.gz BJLBSBRYGHZCNO-INIZCTEOSA-N 2 1 289.467 3.666 20 0 CHADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000429017186 1120617819 /nfs/dbraw/zinc/61/78/19/1120617819.db2.gz DUAZEDRIBQACLK-LPHOPBHVSA-N 2 1 286.463 3.899 20 0 CHADMP CC(C)c1ccc([C@H](C)[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000429017186 1120617821 /nfs/dbraw/zinc/61/78/21/1120617821.db2.gz DUAZEDRIBQACLK-LPHOPBHVSA-N 2 1 286.463 3.899 20 0 CHADMP CC(C)c1ccc([C@H](C)[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000429017186 1120617823 /nfs/dbraw/zinc/61/78/23/1120617823.db2.gz DUAZEDRIBQACLK-LPHOPBHVSA-N 2 1 286.463 3.899 20 0 CHADMP c1nc([C@@H]2CCC[N@H+](CCC3CCC3)C2)n2c1CCCC2 ZINC000660481545 1120637001 /nfs/dbraw/zinc/63/70/01/1120637001.db2.gz QJRIQQWFRAPXMA-MRXNPFEDSA-N 2 1 287.451 3.589 20 0 CHADMP CC[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000390836087 1120650244 /nfs/dbraw/zinc/65/02/44/1120650244.db2.gz VEWZRIKVCSMPTK-ZSNVMCELSA-N 2 1 264.457 3.560 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2ccc(C)cc2)C[C@@H]1C ZINC000544144920 1120666419 /nfs/dbraw/zinc/66/64/19/1120666419.db2.gz ALYYPTNLAWVPGD-HKUYNNGSSA-N 2 1 288.479 3.732 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2ccc(C)cc2)C[C@@H]1C ZINC000544144920 1120666421 /nfs/dbraw/zinc/66/64/21/1120666421.db2.gz ALYYPTNLAWVPGD-HKUYNNGSSA-N 2 1 288.479 3.732 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2ccc(C)cc2)C[C@@H]1C ZINC000544144920 1120666423 /nfs/dbraw/zinc/66/64/23/1120666423.db2.gz ALYYPTNLAWVPGD-HKUYNNGSSA-N 2 1 288.479 3.732 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2ccc(C)cc2)C[C@@H]1C ZINC000544144923 1120667093 /nfs/dbraw/zinc/66/70/93/1120667093.db2.gz ALYYPTNLAWVPGD-PKOBYXMFSA-N 2 1 288.479 3.732 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2ccc(C)cc2)C[C@@H]1C ZINC000544144923 1120667097 /nfs/dbraw/zinc/66/70/97/1120667097.db2.gz ALYYPTNLAWVPGD-PKOBYXMFSA-N 2 1 288.479 3.732 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2ccc(C)cc2)C[C@@H]1C ZINC000544144923 1120667100 /nfs/dbraw/zinc/66/71/00/1120667100.db2.gz ALYYPTNLAWVPGD-PKOBYXMFSA-N 2 1 288.479 3.732 20 0 CHADMP C[C@@H]([NH3+])[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)c1ccccc1 ZINC000925715793 1120675734 /nfs/dbraw/zinc/67/57/34/1120675734.db2.gz HUYPKLBMSPQJHG-DGCLKSJQSA-N 2 1 288.357 3.643 20 0 CHADMP CCC[C@@H](C)CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000625421625 1120679894 /nfs/dbraw/zinc/67/98/94/1120679894.db2.gz BNPPZCBBOQAHGT-VPSFDDGASA-N 2 1 266.473 3.760 20 0 CHADMP CCC[C@@H](C)CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000625421625 1120679897 /nfs/dbraw/zinc/67/98/97/1120679897.db2.gz BNPPZCBBOQAHGT-VPSFDDGASA-N 2 1 266.473 3.760 20 0 CHADMP c1cc2c(c(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)c1)CCC2 ZINC000651643806 1120690126 /nfs/dbraw/zinc/69/01/26/1120690126.db2.gz RASFKQMXKVXAEZ-LJQANCHMSA-N 2 1 298.474 3.626 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CC(C)C)c1ccc(F)cc1 ZINC000652146294 1120734984 /nfs/dbraw/zinc/73/49/84/1120734984.db2.gz PKBMBJLHCKZZFJ-KRWDZBQOSA-N 2 1 289.398 3.708 20 0 CHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)CC(C)(C)C1 ZINC000228080061 1120736653 /nfs/dbraw/zinc/73/66/53/1120736653.db2.gz XGVHUPSBOPHRGU-JFIYKMOQSA-N 2 1 278.484 3.667 20 0 CHADMP FC(F)c1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC000228081089 1120758252 /nfs/dbraw/zinc/75/82/52/1120758252.db2.gz ODBNLTZVJPZGKI-QGZVFWFLSA-N 2 1 294.389 3.590 20 0 CHADMP c1cc(C2CC2)ccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000228082283 1120767028 /nfs/dbraw/zinc/76/70/28/1120767028.db2.gz UVNRUYWIZBNHDD-LJQANCHMSA-N 2 1 284.447 3.530 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661512504 1120772708 /nfs/dbraw/zinc/77/27/08/1120772708.db2.gz KKDBCLCZILKJSV-QGZVFWFLSA-N 2 1 287.382 3.558 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661512504 1120772713 /nfs/dbraw/zinc/77/27/13/1120772713.db2.gz KKDBCLCZILKJSV-QGZVFWFLSA-N 2 1 287.382 3.558 20 0 CHADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc2ccccc21 ZINC000054602324 1120775432 /nfs/dbraw/zinc/77/54/32/1120775432.db2.gz LMNOIRYFILEPCZ-AYHJJNSGSA-N 2 1 280.415 3.684 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](C)c2ccccc2)C1 ZINC000249042227 1120879433 /nfs/dbraw/zinc/87/94/33/1120879433.db2.gz VATDKUSCLNFRAE-DLBZAZTESA-N 2 1 274.452 3.500 20 0 CHADMP CCCC[C@H](CC)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000248907934 1120880849 /nfs/dbraw/zinc/88/08/49/1120880849.db2.gz ZBJSZVQPNYXXNZ-JYJNAYRXSA-N 2 1 254.462 3.617 20 0 CHADMP CCCC[C@H](CC)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000248907934 1120880852 /nfs/dbraw/zinc/88/08/52/1120880852.db2.gz ZBJSZVQPNYXXNZ-JYJNAYRXSA-N 2 1 254.462 3.617 20 0 CHADMP CCCC[C@H](CC)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248907934 1120880855 /nfs/dbraw/zinc/88/08/55/1120880855.db2.gz ZBJSZVQPNYXXNZ-JYJNAYRXSA-N 2 1 254.462 3.617 20 0 CHADMP CCCC[C@H](CC)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248907934 1120880856 /nfs/dbraw/zinc/88/08/56/1120880856.db2.gz ZBJSZVQPNYXXNZ-JYJNAYRXSA-N 2 1 254.462 3.617 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251581070 1120882630 /nfs/dbraw/zinc/88/26/30/1120882630.db2.gz WDDGNBUFNWSKEF-OIISXLGYSA-N 2 1 280.415 3.727 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251581070 1120882635 /nfs/dbraw/zinc/88/26/35/1120882635.db2.gz WDDGNBUFNWSKEF-OIISXLGYSA-N 2 1 280.415 3.727 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC(C)(C)C[C@H]2C)C1 ZINC000252117368 1120883857 /nfs/dbraw/zinc/88/38/57/1120883857.db2.gz KJYLCIXIBPTWOC-BZUAXINKSA-N 2 1 266.473 3.521 20 0 CHADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000662248995 1120910814 /nfs/dbraw/zinc/91/08/14/1120910814.db2.gz MYIVJTJRSLIJAL-CQSZACIVSA-N 2 1 298.405 3.664 20 0 CHADMP C[C@@H](c1ccc2ccccc2c1)[N@H+](C)CC(C)(C)[NH3+] ZINC000662292801 1120921052 /nfs/dbraw/zinc/92/10/52/1120921052.db2.gz MRRKPWSBWHLAMC-ZDUSSCGKSA-N 2 1 256.393 3.570 20 0 CHADMP C[C@@H](c1ccc2ccccc2c1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662292801 1120921055 /nfs/dbraw/zinc/92/10/55/1120921055.db2.gz MRRKPWSBWHLAMC-ZDUSSCGKSA-N 2 1 256.393 3.570 20 0 CHADMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1C ZINC000663347740 1120942671 /nfs/dbraw/zinc/94/26/71/1120942671.db2.gz UHUQLCZNXQWFKW-IBGZPJMESA-N 2 1 286.463 3.515 20 0 CHADMP C([NH2+][C@@H]1CCCC[C@@H]1C1CC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663465107 1120980151 /nfs/dbraw/zinc/98/01/51/1120980151.db2.gz IBISMPHMZSYELW-BHIYHBOVSA-N 2 1 290.495 3.667 20 0 CHADMP FCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466331 1120981177 /nfs/dbraw/zinc/98/11/77/1120981177.db2.gz RAQGFPNTGVEPIY-SQNIBIBYSA-N 2 1 296.474 3.616 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)o1 ZINC000663467563 1120984213 /nfs/dbraw/zinc/98/42/13/1120984213.db2.gz GSFWJCJJPCWDHZ-HOCLYGCPSA-N 2 1 290.451 3.615 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)o1 ZINC000663467563 1120984218 /nfs/dbraw/zinc/98/42/18/1120984218.db2.gz GSFWJCJJPCWDHZ-HOCLYGCPSA-N 2 1 290.451 3.615 20 0 CHADMP CC(C)CC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663470220 1120984941 /nfs/dbraw/zinc/98/49/41/1120984941.db2.gz SZGHQTXZRGXBKV-WBVHZDCISA-N 2 1 266.473 3.523 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)CC2 ZINC000663471405 1120985241 /nfs/dbraw/zinc/98/52/41/1120985241.db2.gz XQQBIYBQLRJLMK-YLJYHZDGSA-N 2 1 298.474 3.694 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H]1c1ccncc1 ZINC001167825893 1121000454 /nfs/dbraw/zinc/00/04/54/1121000454.db2.gz LMOKMQLXFYQLMX-SJLPKXTDSA-N 2 1 289.467 3.729 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCCC[C@@H]1C ZINC001167826614 1121001793 /nfs/dbraw/zinc/00/17/93/1121001793.db2.gz OZWPYYMQJABRJI-JKSUJKDBSA-N 2 1 254.462 3.761 20 0 CHADMP C[C@@H]([NH3+])C[NH2+][C@H](Cc1ccccc1Cl)c1cccs1 ZINC000643527365 1121006334 /nfs/dbraw/zinc/00/63/34/1121006334.db2.gz LOEWZOAZUXMUMO-BXUZGUMPSA-N 2 1 294.851 3.622 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H]1c1ccccc1 ZINC001167833635 1121019975 /nfs/dbraw/zinc/01/99/75/1121019975.db2.gz CZGFTLQEFMBSFP-FUHWJXTLSA-N 2 1 274.452 3.944 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2cc(C)ccc2C1 ZINC001167835937 1121037661 /nfs/dbraw/zinc/03/76/61/1121037661.db2.gz WFEWYULOJMFAGH-KRWDZBQOSA-N 2 1 288.479 3.864 20 0 CHADMP CC[C@@H]1CC[C@@H](C)[NH+]1CCC[N@H+]1[C@H](CC)CC[C@@H]1C ZINC000557218121 1121046193 /nfs/dbraw/zinc/04/61/93/1121046193.db2.gz GCYIWJDWAQIGNB-YYIAUSFCSA-N 2 1 266.473 3.902 20 0 CHADMP CC[C@@H]1CC[C@H](C)[NH+]1CCC[N@@H+]1[C@H](C)CC[C@H]1CC ZINC000557218121 1121046201 /nfs/dbraw/zinc/04/62/01/1121046201.db2.gz GCYIWJDWAQIGNB-YYIAUSFCSA-N 2 1 266.473 3.902 20 0 CHADMP CC[C@@H]1CC[C@H](C)[NH+]1CCC[N@H+]1[C@H](C)CC[C@H]1CC ZINC000557218121 1121046207 /nfs/dbraw/zinc/04/62/07/1121046207.db2.gz GCYIWJDWAQIGNB-YYIAUSFCSA-N 2 1 266.473 3.902 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1Cc2ccccc2C[C@H]1C ZINC001167841386 1121057709 /nfs/dbraw/zinc/05/77/09/1121057709.db2.gz MAXZLGIAYPANHN-IAGOWNOFSA-N 2 1 288.479 3.944 20 0 CHADMP Cc1cc(C)c(COc2ccc([C@@H](C)[NH3+])cc2)c(C)[nH+]1 ZINC000630503421 1128959758 /nfs/dbraw/zinc/95/97/58/1128959758.db2.gz DWQSQKOKWIJDPJ-CYBMUJFWSA-N 2 1 270.376 3.606 20 0 CHADMP C[C@H]1C[C@@H]1C[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001279268280 1121131891 /nfs/dbraw/zinc/13/18/91/1121131891.db2.gz ABKOZCGRYCHVMY-DLBZAZTESA-N 2 1 290.495 3.763 20 0 CHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H]2CC=CCC2)C1 ZINC000512180728 1121144781 /nfs/dbraw/zinc/14/47/81/1121144781.db2.gz OWNWEJNOFNKPHL-QRVBRYPASA-N 2 1 290.495 3.929 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000512180728 1121144783 /nfs/dbraw/zinc/14/47/83/1121144783.db2.gz OWNWEJNOFNKPHL-QRVBRYPASA-N 2 1 290.495 3.929 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000512180728 1121144786 /nfs/dbraw/zinc/14/47/86/1121144786.db2.gz OWNWEJNOFNKPHL-QRVBRYPASA-N 2 1 290.495 3.929 20 0 CHADMP CCC[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512244748 1121221831 /nfs/dbraw/zinc/22/18/31/1121221831.db2.gz OTXXSXFFNRHUGZ-PKOBYXMFSA-N 2 1 286.463 3.773 20 0 CHADMP CC[N@@H+](Cc1ccc(C)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000348970869 1121239306 /nfs/dbraw/zinc/23/93/06/1121239306.db2.gz XLLWKSHVQFAMHI-UHFFFAOYSA-N 2 1 286.419 3.672 20 0 CHADMP CC(C)C[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512334057 1121271033 /nfs/dbraw/zinc/27/10/33/1121271033.db2.gz ZFEWIPSLUFAGKA-ARFHVFGLSA-N 2 1 266.473 3.664 20 0 CHADMP C1=C(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000658291227 1121278794 /nfs/dbraw/zinc/27/87/94/1121278794.db2.gz MWKUFTRQMJKLKZ-OWZKRDHZSA-N 2 1 296.458 3.882 20 0 CHADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246241536 1121287268 /nfs/dbraw/zinc/28/72/68/1121287268.db2.gz UWNPGIRYSBHHRT-FUHWJXTLSA-N 2 1 272.436 3.555 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](C)C2CC2)cc1 ZINC000675778248 1121354149 /nfs/dbraw/zinc/35/41/49/1121354149.db2.gz ANOAIPVECYMNNA-ZIAGYGMSSA-N 2 1 283.419 3.877 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)c2ccccc2)[C@@H](C)C1 ZINC000675770398 1121357868 /nfs/dbraw/zinc/35/78/68/1121357868.db2.gz FFKMYRFUPKLTQE-FUHWJXTLSA-N 2 1 288.479 3.674 20 0 CHADMP CCCc1cccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000432793463 1121358294 /nfs/dbraw/zinc/35/82/94/1121358294.db2.gz PBOYYQGZLOYYOR-SFHVURJKSA-N 2 1 274.452 3.555 20 0 CHADMP Cc1cc(C)c(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1C ZINC000432797369 1121359727 /nfs/dbraw/zinc/35/97/27/1121359727.db2.gz DYJFLCIYANNBPS-SFHVURJKSA-N 2 1 274.452 3.528 20 0 CHADMP Cc1cc(Cl)ccc1CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339439159 1121394069 /nfs/dbraw/zinc/39/40/69/1121394069.db2.gz RVEICJYLBCZUAD-KRWDZBQOSA-N 2 1 292.854 3.566 20 0 CHADMP Cc1cc(Cl)ccc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339439159 1121394079 /nfs/dbraw/zinc/39/40/79/1121394079.db2.gz RVEICJYLBCZUAD-KRWDZBQOSA-N 2 1 292.854 3.566 20 0 CHADMP Cc1cc(Cl)ccc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339439159 1121394087 /nfs/dbraw/zinc/39/40/87/1121394087.db2.gz RVEICJYLBCZUAD-KRWDZBQOSA-N 2 1 292.854 3.566 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339439159 1121394096 /nfs/dbraw/zinc/39/40/96/1121394096.db2.gz RVEICJYLBCZUAD-KRWDZBQOSA-N 2 1 292.854 3.566 20 0 CHADMP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339439159 1121394105 /nfs/dbraw/zinc/39/41/05/1121394105.db2.gz RVEICJYLBCZUAD-KRWDZBQOSA-N 2 1 292.854 3.566 20 0 CHADMP CCC(CC)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001175687102 1121432599 /nfs/dbraw/zinc/43/25/99/1121432599.db2.gz JCQWYBVHVMSJJU-UHFFFAOYSA-N 2 1 254.462 3.621 20 0 CHADMP CC(C)CCC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000429339212 1121532609 /nfs/dbraw/zinc/53/26/09/1121532609.db2.gz ZRXZTUFAUMKJBJ-UHFFFAOYSA-N 2 1 289.467 3.666 20 0 CHADMP CCC[NH+](CCC)c1ccc(Nc2[nH]cc[nH+]2)cc1 ZINC001176083969 1121533655 /nfs/dbraw/zinc/53/36/55/1121533655.db2.gz ATYDYQYFRTWEIH-UHFFFAOYSA-N 2 1 258.369 3.780 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433051185 1121538130 /nfs/dbraw/zinc/53/81/30/1121538130.db2.gz FRZANATWNMFMHK-LJQANCHMSA-N 2 1 297.446 3.851 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433051185 1121538134 /nfs/dbraw/zinc/53/81/34/1121538134.db2.gz FRZANATWNMFMHK-LJQANCHMSA-N 2 1 297.446 3.851 20 0 CHADMP Cc1cc(Nc2cc[nH+]c(-c3ccccc3)c2)cc(C)[nH+]1 ZINC001176054241 1121541955 /nfs/dbraw/zinc/54/19/55/1121541955.db2.gz BSANLIHGFKGRCO-UHFFFAOYSA-N 2 1 275.355 3.926 20 0 CHADMP C([NH2+]C1CCC2(CCCCC2)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000466743415 1121595801 /nfs/dbraw/zinc/59/58/01/1121595801.db2.gz LKRDGQYFMCSSTD-INIZCTEOSA-N 2 1 290.495 3.953 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]1C ZINC000322326217 1121610175 /nfs/dbraw/zinc/61/01/75/1121610175.db2.gz KMEZDAHZNGNRIB-FPAYPSAMSA-N 2 1 286.463 3.533 20 0 CHADMP CC[N@@H+](c1ccc(N[C@@H]2CC[NH+](C)[C@H](C)C2)cc1)C(C)C ZINC000182773644 1128997697 /nfs/dbraw/zinc/99/76/97/1128997697.db2.gz KSEPUJAKGHNZSS-NVXWUHKLSA-N 2 1 289.467 3.816 20 0 CHADMP CC[N@H+](c1ccc(N[C@@H]2CC[NH+](C)[C@H](C)C2)cc1)C(C)C ZINC000182773644 1128997700 /nfs/dbraw/zinc/99/77/00/1128997700.db2.gz KSEPUJAKGHNZSS-NVXWUHKLSA-N 2 1 289.467 3.816 20 0 CHADMP CC[NH+](c1ccc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1)C(C)C ZINC000182773644 1128997704 /nfs/dbraw/zinc/99/77/04/1128997704.db2.gz KSEPUJAKGHNZSS-NVXWUHKLSA-N 2 1 289.467 3.816 20 0 CHADMP CC[NH+](c1ccc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1)C(C)C ZINC000182773644 1128997707 /nfs/dbraw/zinc/99/77/07/1128997707.db2.gz KSEPUJAKGHNZSS-NVXWUHKLSA-N 2 1 289.467 3.816 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+]CC[C@@H](C)CCC=C(C)C)C1 ZINC000512844338 1121622928 /nfs/dbraw/zinc/62/29/28/1121622928.db2.gz HHHLLOMNYVCMRX-DLBZAZTESA-N 2 1 266.473 3.690 20 0 CHADMP Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000261747654 1121690342 /nfs/dbraw/zinc/69/03/42/1121690342.db2.gz BZWODTKXUVYZDN-NZSAHSFTSA-N 2 1 286.463 3.563 20 0 CHADMP Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000261747653 1121691139 /nfs/dbraw/zinc/69/11/39/1121691139.db2.gz BZWODTKXUVYZDN-NEWSRXKRSA-N 2 1 286.463 3.563 20 0 CHADMP CC(C)(C)C1CCC([N@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000709968886 1121691901 /nfs/dbraw/zinc/69/19/01/1121691901.db2.gz CWKQTKJVESRDGZ-LEOMRAHMSA-N 2 1 278.484 3.667 20 0 CHADMP CCCC[NH+]1CCC([NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000164478226 1121700972 /nfs/dbraw/zinc/70/09/72/1121700972.db2.gz WBZSMEXDJBGOJN-GOSISDBHSA-N 2 1 290.426 3.667 20 0 CHADMP Cc1cc(C)c(/C=C/C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC001177226679 1121718794 /nfs/dbraw/zinc/71/87/94/1121718794.db2.gz VKEUIPLXUFVTPL-WRFKIARRSA-N 2 1 298.474 3.699 20 0 CHADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccccc1F ZINC001203354201 1121723381 /nfs/dbraw/zinc/72/33/81/1121723381.db2.gz WBJHENPUOXDGKK-DLBZAZTESA-N 2 1 290.426 3.665 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccccc1F ZINC001203354201 1121723386 /nfs/dbraw/zinc/72/33/86/1121723386.db2.gz WBJHENPUOXDGKK-DLBZAZTESA-N 2 1 290.426 3.665 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccccc1F ZINC001203354201 1121723391 /nfs/dbraw/zinc/72/33/91/1121723391.db2.gz WBJHENPUOXDGKK-DLBZAZTESA-N 2 1 290.426 3.665 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccccc1F ZINC001203354201 1121723398 /nfs/dbraw/zinc/72/33/98/1121723398.db2.gz WBJHENPUOXDGKK-DLBZAZTESA-N 2 1 290.426 3.665 20 0 CHADMP CCCC[C@H](CC)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727981 1121755330 /nfs/dbraw/zinc/75/53/30/1121755330.db2.gz ZIIRCRVZPFWURJ-INIZCTEOSA-N 2 1 266.473 3.668 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000285871963 1121762751 /nfs/dbraw/zinc/76/27/51/1121762751.db2.gz YGAJNWSNCRUHMO-YJBOKZPZSA-N 2 1 283.419 3.665 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000285871963 1121762756 /nfs/dbraw/zinc/76/27/56/1121762756.db2.gz YGAJNWSNCRUHMO-YJBOKZPZSA-N 2 1 283.419 3.665 20 0 CHADMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206325781 1121780511 /nfs/dbraw/zinc/78/05/11/1121780511.db2.gz JUMAHPWUEPBQGS-MRXNPFEDSA-N 2 1 280.843 3.599 20 0 CHADMP CCc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)ccc1Cl ZINC001206325802 1121782214 /nfs/dbraw/zinc/78/22/14/1121782214.db2.gz KFFXLJRMGMLIFQ-KRWDZBQOSA-N 2 1 294.870 3.853 20 0 CHADMP CC[C@H]1CCC[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)C1 ZINC001179081758 1121846458 /nfs/dbraw/zinc/84/64/58/1121846458.db2.gz OAQZPTQREDMTSX-HOTGVXAUSA-N 2 1 254.462 3.523 20 0 CHADMP CC1(C)CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC001179259529 1121866246 /nfs/dbraw/zinc/86/62/46/1121866246.db2.gz UTKWSZGSUMOJAZ-SJORKVTESA-N 2 1 278.484 3.667 20 0 CHADMP C[C@H]1CC([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C[C@H](C)C1 ZINC001179266726 1121866315 /nfs/dbraw/zinc/86/63/15/1121866315.db2.gz WRHQOZFDLLEYHY-INMHGKMJSA-N 2 1 278.484 3.523 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](C)c2ccc(C)cc2)C1 ZINC001179855703 1121916720 /nfs/dbraw/zinc/91/67/20/1121916720.db2.gz ZXNCDWKHERAEGS-ROUUACIJSA-N 2 1 288.479 3.762 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](C)c2ccc(C)cc2)C1 ZINC001179855703 1121916725 /nfs/dbraw/zinc/91/67/25/1121916725.db2.gz ZXNCDWKHERAEGS-ROUUACIJSA-N 2 1 288.479 3.762 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](C)c2ccc(C)cc2)C1 ZINC001179855703 1121916728 /nfs/dbraw/zinc/91/67/28/1121916728.db2.gz ZXNCDWKHERAEGS-ROUUACIJSA-N 2 1 288.479 3.762 20 0 CHADMP CC(C)CCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001179924866 1121922472 /nfs/dbraw/zinc/92/24/72/1121922472.db2.gz KQBNWIOJSFRRLE-AEFFLSMTSA-N 2 1 278.484 3.761 20 0 CHADMP CC(C)CCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001179924866 1121922479 /nfs/dbraw/zinc/92/24/79/1121922479.db2.gz KQBNWIOJSFRRLE-AEFFLSMTSA-N 2 1 278.484 3.761 20 0 CHADMP CC(C)CCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001179924866 1121922485 /nfs/dbraw/zinc/92/24/85/1121922485.db2.gz KQBNWIOJSFRRLE-AEFFLSMTSA-N 2 1 278.484 3.761 20 0 CHADMP c1ccc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)cc2)cc1 ZINC000262563026 1129019345 /nfs/dbraw/zinc/01/93/45/1129019345.db2.gz VXUCTIGHABBBJN-VQTJNVASSA-N 2 1 292.426 3.537 20 0 CHADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC000262552026 1129019726 /nfs/dbraw/zinc/01/97/26/1129019726.db2.gz SOXKONKWCCAMPQ-IBGZPJMESA-N 2 1 296.414 3.650 20 0 CHADMP CC[N@@H+](CC1CC[NH+](CC)CC1)[C@H](C)c1ccc(F)cc1 ZINC001180043218 1121941028 /nfs/dbraw/zinc/94/10/28/1121941028.db2.gz QQHSTJIIQHTBBQ-OAHLLOKOSA-N 2 1 292.442 3.941 20 0 CHADMP CCC[N@@H+](C[C@H](C)[NH3+])[C@@H](C)c1cc2ccccc2o1 ZINC000420295787 1121995428 /nfs/dbraw/zinc/99/54/28/1121995428.db2.gz ASNVLDYBTLLFRE-STQMWFEESA-N 2 1 260.381 3.553 20 0 CHADMP C[C@H]([NH3+])C[N@H+]([C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000420322912 1121995162 /nfs/dbraw/zinc/99/51/62/1121995162.db2.gz SSPKKZMHEXPACE-KBPBESRZSA-N 2 1 268.404 3.712 20 0 CHADMP C[C@H]([NH3+])C[N@@H+]([C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000420322912 1121995172 /nfs/dbraw/zinc/99/51/72/1121995172.db2.gz SSPKKZMHEXPACE-KBPBESRZSA-N 2 1 268.404 3.712 20 0 CHADMP CCC[N@H+](C[C@H](C)[NH3+])[C@@H](C)c1cc2ccccc2o1 ZINC000420295787 1121995425 /nfs/dbraw/zinc/99/54/25/1121995425.db2.gz ASNVLDYBTLLFRE-STQMWFEESA-N 2 1 260.381 3.553 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420305966 1121998299 /nfs/dbraw/zinc/99/82/99/1121998299.db2.gz QFBITDJNPWBKPZ-KKUMJFAQSA-N 2 1 294.870 3.763 20 0 CHADMP C[C@H]([NH3+])C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000420422385 1122005601 /nfs/dbraw/zinc/00/56/01/1122005601.db2.gz ZJOPTAUDZOSPKK-GWCFXTLKSA-N 2 1 288.357 3.729 20 0 CHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420946055 1122048717 /nfs/dbraw/zinc/04/87/17/1122048717.db2.gz LMQIXPMOMHTETJ-UONOGXRCSA-N 2 1 292.389 3.525 20 0 CHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420946055 1122048726 /nfs/dbraw/zinc/04/87/26/1122048726.db2.gz LMQIXPMOMHTETJ-UONOGXRCSA-N 2 1 292.389 3.525 20 0 CHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420946055 1122048734 /nfs/dbraw/zinc/04/87/34/1122048734.db2.gz LMQIXPMOMHTETJ-UONOGXRCSA-N 2 1 292.389 3.525 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000420990640 1122057158 /nfs/dbraw/zinc/05/71/58/1122057158.db2.gz GABBWDPQPFWTTL-OAHLLOKOSA-N 2 1 293.361 3.568 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc2c(c1)CCCC2 ZINC001181514330 1122059865 /nfs/dbraw/zinc/05/98/65/1122059865.db2.gz FTSHOCMAQOGFCF-UHFFFAOYSA-N 2 1 288.479 3.729 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC12CCC2 ZINC000502434055 1122085438 /nfs/dbraw/zinc/08/54/38/1122085438.db2.gz XNIPZIMXNXQTNT-NEWSRXKRSA-N 2 1 298.474 3.819 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC12CCC2 ZINC000502434055 1122085442 /nfs/dbraw/zinc/08/54/42/1122085442.db2.gz XNIPZIMXNXQTNT-NEWSRXKRSA-N 2 1 298.474 3.819 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCC12CCC2 ZINC000502434059 1122085857 /nfs/dbraw/zinc/08/58/57/1122085857.db2.gz XNIPZIMXNXQTNT-QRQLOZEOSA-N 2 1 298.474 3.819 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCC12CCC2 ZINC000502434059 1122085865 /nfs/dbraw/zinc/08/58/65/1122085865.db2.gz XNIPZIMXNXQTNT-QRQLOZEOSA-N 2 1 298.474 3.819 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CC2(C1)CCCCC2 ZINC000421322331 1122093089 /nfs/dbraw/zinc/09/30/89/1122093089.db2.gz DJMJDKZUCCSLNI-CQSZACIVSA-N 2 1 275.440 3.530 20 0 CHADMP C[N@@H+](Cc1cccc(C2CC2)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000421360197 1122100522 /nfs/dbraw/zinc/10/05/22/1122100522.db2.gz YVSBEDCVTJINFA-DFNIBXOVSA-N 2 1 284.447 3.621 20 0 CHADMP C[NH+](Cc1cccc(C2CC2)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000421360197 1122100527 /nfs/dbraw/zinc/10/05/27/1122100527.db2.gz YVSBEDCVTJINFA-DFNIBXOVSA-N 2 1 284.447 3.621 20 0 CHADMP C[NH+](Cc1cccc(C2CC2)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000421360197 1122100535 /nfs/dbraw/zinc/10/05/35/1122100535.db2.gz YVSBEDCVTJINFA-DFNIBXOVSA-N 2 1 284.447 3.621 20 0 CHADMP CC(C)[NH+]1CCC([NH2+][C@H](CC(F)F)c2ccccc2)CC1 ZINC000421369508 1122102015 /nfs/dbraw/zinc/10/20/15/1122102015.db2.gz HTXPJXURLXFYEW-MRXNPFEDSA-N 2 1 296.405 3.845 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC001182153225 1122116011 /nfs/dbraw/zinc/11/60/11/1122116011.db2.gz ZEBYQPHPUHNYOD-SJORKVTESA-N 2 1 276.468 3.809 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC001182153225 1122116012 /nfs/dbraw/zinc/11/60/12/1122116012.db2.gz ZEBYQPHPUHNYOD-SJORKVTESA-N 2 1 276.468 3.809 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+](CC1CC1)C1CCCCC1 ZINC000502721312 1122141715 /nfs/dbraw/zinc/14/17/15/1122141715.db2.gz IRFQFGRZXOCQKJ-MRXNPFEDSA-N 2 1 264.457 3.515 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+](CC1CC1)C1CCCCC1 ZINC000502721312 1122141717 /nfs/dbraw/zinc/14/17/17/1122141717.db2.gz IRFQFGRZXOCQKJ-MRXNPFEDSA-N 2 1 264.457 3.515 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CC1CC1)C1CCCCC1 ZINC000502721312 1122141718 /nfs/dbraw/zinc/14/17/18/1122141718.db2.gz IRFQFGRZXOCQKJ-MRXNPFEDSA-N 2 1 264.457 3.515 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1C1CCCCC1 ZINC000502717920 1122141884 /nfs/dbraw/zinc/14/18/84/1122141884.db2.gz HOAQLXOLIINWJA-DLBZAZTESA-N 2 1 264.457 3.515 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000502717920 1122141886 /nfs/dbraw/zinc/14/18/86/1122141886.db2.gz HOAQLXOLIINWJA-DLBZAZTESA-N 2 1 264.457 3.515 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000502717920 1122141888 /nfs/dbraw/zinc/14/18/88/1122141888.db2.gz HOAQLXOLIINWJA-DLBZAZTESA-N 2 1 264.457 3.515 20 0 CHADMP C(CC1CCCCC1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001183096099 1122205976 /nfs/dbraw/zinc/20/59/76/1122205976.db2.gz ZXNNLUYFCYMJJP-GOSISDBHSA-N 2 1 278.484 3.668 20 0 CHADMP C[C@]1([NH3+])CCC[N@@H+](C[C@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001205256138 1122207092 /nfs/dbraw/zinc/20/70/92/1122207092.db2.gz NOUAMGMVTNKNDC-PVAVHDDUSA-N 2 1 292.854 3.647 20 0 CHADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205257192 1122209554 /nfs/dbraw/zinc/20/95/54/1122209554.db2.gz TWOCZTAEFKOLDC-FUHWJXTLSA-N 2 1 298.515 3.811 20 0 CHADMP CC(C)c1ccccc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205280778 1122237595 /nfs/dbraw/zinc/23/75/95/1122237595.db2.gz ITOJHZNMKYIZMW-QGZVFWFLSA-N 2 1 260.425 3.513 20 0 CHADMP CC(C)(C)Oc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1 ZINC001205281296 1122240181 /nfs/dbraw/zinc/24/01/81/1122240181.db2.gz RUXXUYWJFJGHLC-SFHVURJKSA-N 2 1 290.451 3.567 20 0 CHADMP CC[N@H+](Cc1ccc(Cl)s1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414684627 1122266548 /nfs/dbraw/zinc/26/65/48/1122266548.db2.gz WLNNHFGSRMIBAA-NWDGAFQWSA-N 2 1 286.872 3.612 20 0 CHADMP Cc1c(C)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)ccc1Cl ZINC001205296742 1122276473 /nfs/dbraw/zinc/27/64/73/1122276473.db2.gz TYNDJKXDZSQNQG-MRXNPFEDSA-N 2 1 280.843 3.660 20 0 CHADMP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CCC[N@H+](C)C(C)C ZINC000504927256 1122311065 /nfs/dbraw/zinc/31/10/65/1122311065.db2.gz OAWCXXWLDONYLX-RDJZCZTQSA-N 2 1 274.452 3.863 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCCC1 ZINC000156176418 1122464732 /nfs/dbraw/zinc/46/47/32/1122464732.db2.gz OUMMPHCMRKBIQX-HYVNUMGLSA-N 2 1 264.457 3.562 20 0 CHADMP CC[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)C1 ZINC000515093833 1122476597 /nfs/dbraw/zinc/47/65/97/1122476597.db2.gz SCNBEDUCJZOODS-VSZNYVQBSA-N 2 1 278.484 3.619 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000515093833 1122476599 /nfs/dbraw/zinc/47/65/99/1122476599.db2.gz SCNBEDUCJZOODS-VSZNYVQBSA-N 2 1 278.484 3.619 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000515093833 1122476602 /nfs/dbraw/zinc/47/66/02/1122476602.db2.gz SCNBEDUCJZOODS-VSZNYVQBSA-N 2 1 278.484 3.619 20 0 CHADMP C[NH2+]CCC[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000435879309 1122494963 /nfs/dbraw/zinc/49/49/63/1122494963.db2.gz CBRJAZLVXQUDMG-SFHVURJKSA-N 2 1 268.404 3.586 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1)C1CCC1 ZINC000436297042 1122535667 /nfs/dbraw/zinc/53/56/67/1122535667.db2.gz LWNMMLNLIQAGTG-PBHICJAKSA-N 2 1 264.457 3.562 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205539169 1122551128 /nfs/dbraw/zinc/55/11/28/1122551128.db2.gz TYHQALSDFPYWAA-IRXDYDNUSA-N 2 1 284.463 3.912 20 0 CHADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC001191789049 1122615237 /nfs/dbraw/zinc/61/52/37/1122615237.db2.gz FLMVAYIRKPXGMT-IAGOWNOFSA-N 2 1 266.473 3.763 20 0 CHADMP C[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167962029 1122631139 /nfs/dbraw/zinc/63/11/39/1122631139.db2.gz SNWVWBVTEMCMAT-APXAPIIESA-N 2 1 276.468 3.560 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc(C)c1Cl ZINC001205591007 1122637868 /nfs/dbraw/zinc/63/78/68/1122637868.db2.gz BDEVAZQSPOQMDT-MRXNPFEDSA-N 2 1 298.833 3.610 20 0 CHADMP CCc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)ccc1Cl ZINC001205592830 1122639521 /nfs/dbraw/zinc/63/95/21/1122639521.db2.gz ZJYBMQWXGOYSQO-MRXNPFEDSA-N 2 1 298.833 3.555 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CCC(C)C)C2CC2)C1 ZINC000517042774 1122643330 /nfs/dbraw/zinc/64/33/30/1122643330.db2.gz ADVJPZKPNVNIMB-RDJZCZTQSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@@H]1CC[N@@H+](CCCCCc2ccccc2)CC[C@H]1C[NH3+] ZINC001205603643 1122654052 /nfs/dbraw/zinc/65/40/52/1122654052.db2.gz ROYGPEVLMUIFRQ-MJGOQNOKSA-N 2 1 288.479 3.706 20 0 CHADMP C[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000506314334 1122718284 /nfs/dbraw/zinc/71/82/84/1122718284.db2.gz FCMHJRCORWVHQR-VQIMIIECSA-N 2 1 286.463 3.603 20 0 CHADMP C[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC000506314334 1122718287 /nfs/dbraw/zinc/71/82/87/1122718287.db2.gz FCMHJRCORWVHQR-VQIMIIECSA-N 2 1 286.463 3.603 20 0 CHADMP CC(C)[NH+]1CCC([N@H+](C)C/C=C\c2ccc(F)cc2)CC1 ZINC000506358687 1122724217 /nfs/dbraw/zinc/72/42/17/1122724217.db2.gz ZETIHTMWVGHCND-PLNGDYQASA-N 2 1 290.426 3.644 20 0 CHADMP CCC1([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000294670723 1122733350 /nfs/dbraw/zinc/73/33/50/1122733350.db2.gz AUAQKLGJQIMGBT-CYBMUJFWSA-N 2 1 269.392 3.774 20 0 CHADMP CCSc1ccccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205652269 1122746940 /nfs/dbraw/zinc/74/69/40/1122746940.db2.gz OUMXFEOWHQXOGA-LSDHHAIUSA-N 2 1 292.492 3.605 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2ccccc2C)C[C@@H]1C ZINC000440328902 1122837942 /nfs/dbraw/zinc/83/79/42/1122837942.db2.gz UGRCBOCUTJDIBR-PKOBYXMFSA-N 2 1 288.479 3.732 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2ccccc2C)C[C@@H]1C ZINC000440328902 1122837951 /nfs/dbraw/zinc/83/79/51/1122837951.db2.gz UGRCBOCUTJDIBR-PKOBYXMFSA-N 2 1 288.479 3.732 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2ccccc2C)C[C@@H]1C ZINC000440328902 1122837959 /nfs/dbraw/zinc/83/79/59/1122837959.db2.gz UGRCBOCUTJDIBR-PKOBYXMFSA-N 2 1 288.479 3.732 20 0 CHADMP CC(C)(C)C[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001195213929 1122855505 /nfs/dbraw/zinc/85/55/05/1122855505.db2.gz MHMHFQYXRCOQCP-MRXNPFEDSA-N 2 1 266.473 3.621 20 0 CHADMP C[N@@H+](C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167982138 1122899992 /nfs/dbraw/zinc/89/99/92/1122899992.db2.gz XYXIDMPNLFNHNP-JWTNVVGKSA-N 2 1 276.468 3.656 20 0 CHADMP C[C@@]1(F)CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167985073 1122944803 /nfs/dbraw/zinc/94/48/03/1122944803.db2.gz UKLBPGWGWTWFDW-UJJTZGENSA-N 2 1 294.458 3.606 20 0 CHADMP C[C@@]1(F)CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167985073 1122944807 /nfs/dbraw/zinc/94/48/07/1122944807.db2.gz UKLBPGWGWTWFDW-UJJTZGENSA-N 2 1 294.458 3.606 20 0 CHADMP C[C@@]1(F)CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167985073 1122944810 /nfs/dbraw/zinc/94/48/10/1122944810.db2.gz UKLBPGWGWTWFDW-UJJTZGENSA-N 2 1 294.458 3.606 20 0 CHADMP C[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@H]1C ZINC001167985082 1122945448 /nfs/dbraw/zinc/94/54/48/1122945448.db2.gz VCVXMXPPJZBPML-FJSLRHLXSA-N 2 1 290.495 3.760 20 0 CHADMP C[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C[C@H]1C ZINC001167985082 1122945451 /nfs/dbraw/zinc/94/54/51/1122945451.db2.gz VCVXMXPPJZBPML-FJSLRHLXSA-N 2 1 290.495 3.760 20 0 CHADMP C[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@H]1C ZINC001167985082 1122945454 /nfs/dbraw/zinc/94/54/54/1122945454.db2.gz VCVXMXPPJZBPML-FJSLRHLXSA-N 2 1 290.495 3.760 20 0 CHADMP Clc1ccc(C2([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000334277155 1122980653 /nfs/dbraw/zinc/98/06/53/1122980653.db2.gz DETKWIGIVSCKFP-JKSUJKDBSA-N 2 1 290.838 3.546 20 0 CHADMP Clc1ccc(C2([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000334277155 1122980657 /nfs/dbraw/zinc/98/06/57/1122980657.db2.gz DETKWIGIVSCKFP-JKSUJKDBSA-N 2 1 290.838 3.546 20 0 CHADMP C[N@H+](Cc1ccc2ccccc2c1)CC1CC[NH+](C)CC1 ZINC000154763574 1129092097 /nfs/dbraw/zinc/09/20/97/1129092097.db2.gz HIHHXFAHMWFWAV-UHFFFAOYSA-N 2 1 282.431 3.613 20 0 CHADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+]CC1CCCCC1)C2 ZINC001199237565 1123024843 /nfs/dbraw/zinc/02/48/43/1123024843.db2.gz DSDMFXXCWGSCIE-UHFFFAOYSA-N 2 1 286.463 3.605 20 0 CHADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+]CC1CCCCC1)C2 ZINC001199237565 1123024846 /nfs/dbraw/zinc/02/48/46/1123024846.db2.gz DSDMFXXCWGSCIE-UHFFFAOYSA-N 2 1 286.463 3.605 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+](CCc2cccs2)CC1 ZINC000104946982 1123026117 /nfs/dbraw/zinc/02/61/17/1123026117.db2.gz VGIHBOXVRBIJRL-UHFFFAOYSA-N 2 1 294.508 3.735 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000164629296 1123042769 /nfs/dbraw/zinc/04/27/69/1123042769.db2.gz KQYUMEBVYBCPRS-RBUKOAKNSA-N 2 1 297.446 3.898 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(C(C)C)cc1 ZINC000105443146 1123052281 /nfs/dbraw/zinc/05/22/81/1123052281.db2.gz KXJXXLQZODIJAF-OAHLLOKOSA-N 2 1 285.435 3.741 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000441327989 1123079279 /nfs/dbraw/zinc/07/92/79/1123079279.db2.gz AJXHZJAZQKYCPW-WMZOPIPTSA-N 2 1 297.446 3.768 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000441327989 1123079285 /nfs/dbraw/zinc/07/92/85/1123079285.db2.gz AJXHZJAZQKYCPW-WMZOPIPTSA-N 2 1 297.446 3.768 20 0 CHADMP C1=CC[C@@H](C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC1 ZINC001201418796 1123097274 /nfs/dbraw/zinc/09/72/74/1123097274.db2.gz SERFPZQKIGPJJT-QZTJIDSGSA-N 2 1 276.468 3.683 20 0 CHADMP CCCC[C@@H](CC)C[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001201560560 1123124186 /nfs/dbraw/zinc/12/41/86/1123124186.db2.gz UIJATHRYUKXPQZ-MRXNPFEDSA-N 2 1 278.484 3.621 20 0 CHADMP CCCC[C@@H](CC)C[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001201560560 1123124188 /nfs/dbraw/zinc/12/41/88/1123124188.db2.gz UIJATHRYUKXPQZ-MRXNPFEDSA-N 2 1 278.484 3.621 20 0 CHADMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c(C)c1 ZINC001201559386 1123124316 /nfs/dbraw/zinc/12/43/16/1123124316.db2.gz YWYWYLHKGDACPH-SFHVURJKSA-N 2 1 288.479 3.761 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)C[C@@H](C)CCC)CC1 ZINC001201563924 1123124909 /nfs/dbraw/zinc/12/49/09/1123124909.db2.gz USNGPVIXMMKXKP-HNNXBMFYSA-N 2 1 254.462 3.619 20 0 CHADMP Cc1cc(F)ccc1C[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000509615270 1123161338 /nfs/dbraw/zinc/16/13/38/1123161338.db2.gz DVQGVKDETNQSQS-HUUCEWRRSA-N 2 1 292.442 3.592 20 0 CHADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](CC4CCCC4)C3)C2)cc1 ZINC001202166385 1123180750 /nfs/dbraw/zinc/18/07/50/1123180750.db2.gz CHRZQRVJGPDZOO-FQEVSTJZSA-N 2 1 298.474 3.775 20 0 CHADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](CC4CCCC4)C3)C2)cc1 ZINC001202166385 1123180753 /nfs/dbraw/zinc/18/07/53/1123180753.db2.gz CHRZQRVJGPDZOO-FQEVSTJZSA-N 2 1 298.474 3.775 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](CC4CCCC4)C3)C2)cc1 ZINC001202166385 1123180755 /nfs/dbraw/zinc/18/07/55/1123180755.db2.gz CHRZQRVJGPDZOO-FQEVSTJZSA-N 2 1 298.474 3.775 20 0 CHADMP Cc1cc(C)cc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000665245710 1123253145 /nfs/dbraw/zinc/25/31/45/1123253145.db2.gz PRZGVJUOWUTTIU-QZTJIDSGSA-N 2 1 266.388 3.538 20 0 CHADMP CCC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(Cl)cc1 ZINC000665277159 1123307277 /nfs/dbraw/zinc/30/72/77/1123307277.db2.gz VDKFGVXKFPQHRW-NRAUKZCXSA-N 2 1 278.827 3.523 20 0 CHADMP C[C@H]([NH2+]C[C@@]1(c2ccccc2)CC1(C)C)c1c[nH+]ccc1N ZINC000665299589 1123349290 /nfs/dbraw/zinc/34/92/90/1123349290.db2.gz PTBWQGDCECSTPV-IFXJQAMLSA-N 2 1 295.430 3.513 20 0 CHADMP C(C[NH+]1CCC[C@@H]1C1CCC1)C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000487422555 1123350391 /nfs/dbraw/zinc/35/03/91/1123350391.db2.gz ZHBIJKZGDWGOHZ-RTBURBONSA-N 2 1 290.495 3.906 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2c3ccccc3-c3ccccc32)CCN1C ZINC000388871743 1123382810 /nfs/dbraw/zinc/38/28/10/1123382810.db2.gz QCNXXHBMTHCELD-CABCVRRESA-N 2 1 292.426 3.829 20 0 CHADMP CC(C)(C[N@@H+]1CC[C@@](C)([NH3+])C1)Sc1ccc(Cl)cc1 ZINC001204763963 1123401100 /nfs/dbraw/zinc/40/11/00/1123401100.db2.gz URYWUBGKJDTLCG-OAHLLOKOSA-N 2 1 298.883 3.634 20 0 CHADMP CC(C)(C[N@H+]1CC[C@@](C)([NH3+])C1)Sc1ccc(Cl)cc1 ZINC001204763963 1123401102 /nfs/dbraw/zinc/40/11/02/1123401102.db2.gz URYWUBGKJDTLCG-OAHLLOKOSA-N 2 1 298.883 3.634 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C2CCC(F)(F)CC2)C1 ZINC000474085264 1123423873 /nfs/dbraw/zinc/42/38/73/1123423873.db2.gz WTRABZBSVGHHEQ-KBPBESRZSA-N 2 1 288.426 3.522 20 0 CHADMP CC[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC001648959940 1123439418 /nfs/dbraw/zinc/43/94/18/1123439418.db2.gz GEEIIJLOEOLHQE-IRXDYDNUSA-N 2 1 274.452 3.502 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2C(C)=CCC[C@H]2C)C1 ZINC000443641902 1123456152 /nfs/dbraw/zinc/45/61/52/1123456152.db2.gz MVOIKYBHHXPUCQ-FGTMMUONSA-N 2 1 278.484 3.643 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2C(C)=CCC[C@H]2C)C1 ZINC000443641902 1123456153 /nfs/dbraw/zinc/45/61/53/1123456153.db2.gz MVOIKYBHHXPUCQ-FGTMMUONSA-N 2 1 278.484 3.643 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2C(C)=CCC[C@H]2C)C1 ZINC000443641902 1123456155 /nfs/dbraw/zinc/45/61/55/1123456155.db2.gz MVOIKYBHHXPUCQ-FGTMMUONSA-N 2 1 278.484 3.643 20 0 CHADMP COc1c(C)cc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)cc1Cl ZINC000854221960 1123478195 /nfs/dbraw/zinc/47/81/95/1123478195.db2.gz BCXWVSYJKLWASJ-GFCCVEGCSA-N 2 1 296.842 3.579 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000052206066 1123479024 /nfs/dbraw/zinc/47/90/24/1123479024.db2.gz DKPIMGYYESEQSJ-RDJZCZTQSA-N 2 1 260.425 3.520 20 0 CHADMP [NH3+]CCCC[N@@H+]1CC=C(c2cc(Cl)cc(Cl)c2)CC1 ZINC001205001046 1123487680 /nfs/dbraw/zinc/48/76/80/1123487680.db2.gz NHFMEZMNXDJUFA-UHFFFAOYSA-N 2 1 299.245 3.821 20 0 CHADMP CC(C)C[C@H](C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)c1ccccc1 ZINC000474272478 1123499164 /nfs/dbraw/zinc/49/91/64/1123499164.db2.gz HATIKHGGGUCRBA-IPMKNSEASA-N 2 1 286.463 3.500 20 0 CHADMP CC(C)C[C@H](C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)c1ccccc1 ZINC000474272478 1123499167 /nfs/dbraw/zinc/49/91/67/1123499167.db2.gz HATIKHGGGUCRBA-IPMKNSEASA-N 2 1 286.463 3.500 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@@H+]([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000429529713 1123547704 /nfs/dbraw/zinc/54/77/04/1123547704.db2.gz QEPOZRJYEAKREA-WBVHZDCISA-N 2 1 292.854 3.743 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@H+]([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000429529713 1123547708 /nfs/dbraw/zinc/54/77/08/1123547708.db2.gz QEPOZRJYEAKREA-WBVHZDCISA-N 2 1 292.854 3.743 20 0 CHADMP C[C@@H]1CCC[N@@H+]1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168042590 1123595493 /nfs/dbraw/zinc/59/54/93/1123595493.db2.gz ZTSGWZMMTLMTCA-BRWVUGGUSA-N 2 1 286.463 3.912 20 0 CHADMP C[C@@H]1CCC[N@H+]1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168042590 1123595494 /nfs/dbraw/zinc/59/54/94/1123595494.db2.gz ZTSGWZMMTLMTCA-BRWVUGGUSA-N 2 1 286.463 3.912 20 0 CHADMP CCC[C@@H](C)CCC[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000858406286 1123651199 /nfs/dbraw/zinc/65/11/99/1123651199.db2.gz HCXXSBRSNAEFCW-CABCVRRESA-N 2 1 265.445 3.547 20 0 CHADMP C[C@@H]([NH2+]C1CC(C)(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000395279775 1123655272 /nfs/dbraw/zinc/65/52/72/1123655272.db2.gz BPWGJWZXSIYWBL-WBVHZDCISA-N 2 1 286.463 3.675 20 0 CHADMP CCC[C@@H]1CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000346229513 1123673634 /nfs/dbraw/zinc/67/36/34/1123673634.db2.gz VGEBTZILNGYYMX-MRXNPFEDSA-N 2 1 298.434 3.588 20 0 CHADMP C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(-c2ccccc2)o1 ZINC000158249515 1129142039 /nfs/dbraw/zinc/14/20/39/1129142039.db2.gz UGPQBWWWQBCOBF-HOTGVXAUSA-N 2 1 298.430 3.939 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccc(-c2ccccc2)o1 ZINC000158249515 1129142042 /nfs/dbraw/zinc/14/20/42/1129142042.db2.gz UGPQBWWWQBCOBF-HOTGVXAUSA-N 2 1 298.430 3.939 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(-c2ccccc2)o1 ZINC000158249515 1129142045 /nfs/dbraw/zinc/14/20/45/1129142045.db2.gz UGPQBWWWQBCOBF-HOTGVXAUSA-N 2 1 298.430 3.939 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(-c2ccccc2)o1 ZINC000158249515 1129142046 /nfs/dbraw/zinc/14/20/46/1129142046.db2.gz UGPQBWWWQBCOBF-HOTGVXAUSA-N 2 1 298.430 3.939 20 0 CHADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000469860037 1123757536 /nfs/dbraw/zinc/75/75/36/1123757536.db2.gz DRITXTWZOYNUOG-ZIAGYGMSSA-N 2 1 286.444 3.584 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H]1C ZINC000309806616 1123773762 /nfs/dbraw/zinc/77/37/62/1123773762.db2.gz USMWZSDCIACFNJ-NEPXVJNWSA-N 2 1 286.463 3.533 20 0 CHADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Cl)cc1Cl ZINC000276660698 1129145974 /nfs/dbraw/zinc/14/59/74/1129145974.db2.gz NSRADXSCWBTRLF-SNVBAGLBSA-N 2 1 298.217 3.620 20 0 CHADMP [NH3+]CCCCCCC[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863558129 1123875346 /nfs/dbraw/zinc/87/53/46/1123875346.db2.gz WRTKUDKWTLKGER-GBESFXJTSA-N 2 1 286.463 3.631 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000863548462 1123875794 /nfs/dbraw/zinc/87/57/94/1123875794.db2.gz QIQMPTXDVDYHKL-HNNXBMFYSA-N 2 1 296.405 3.663 20 0 CHADMP Cc1ccc([C@@H](CNc2cc[nH+]cc2Cl)[NH+](C)C)cc1 ZINC000301554808 1123911482 /nfs/dbraw/zinc/91/14/82/1123911482.db2.gz ZJYGCUAFRLJGNY-MRXNPFEDSA-N 2 1 289.810 3.758 20 0 CHADMP Cc1cc[nH+]c(NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000301618743 1123917844 /nfs/dbraw/zinc/91/78/44/1123917844.db2.gz BNBMSUGADQIQMF-HZPDHXFCSA-N 2 1 275.440 3.560 20 0 CHADMP CCC[N@H+]1CC[C@@H](CNc2cc(C)[nH+]c3ccccc23)C1 ZINC000301992708 1123948736 /nfs/dbraw/zinc/94/87/36/1123948736.db2.gz QRGYNXVMLMWULA-HNNXBMFYSA-N 2 1 283.419 3.687 20 0 CHADMP CCCc1cccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000475569590 1124015061 /nfs/dbraw/zinc/01/50/61/1124015061.db2.gz AQKBRGHQEPAHFJ-UHFFFAOYSA-N 2 1 286.463 3.746 20 0 CHADMP Cc1coc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000718028570 1129165453 /nfs/dbraw/zinc/16/54/53/1129165453.db2.gz BYIRHAAAPQIZMA-SJLPKXTDSA-N 2 1 298.430 3.588 20 0 CHADMP Cc1coc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000718028570 1129165456 /nfs/dbraw/zinc/16/54/56/1129165456.db2.gz BYIRHAAAPQIZMA-SJLPKXTDSA-N 2 1 298.430 3.588 20 0 CHADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000866702949 1124094243 /nfs/dbraw/zinc/09/42/43/1124094243.db2.gz FGMHPYLRNMSOTM-AWEZNQCLSA-N 2 1 286.872 3.598 20 0 CHADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000866702949 1124094249 /nfs/dbraw/zinc/09/42/49/1124094249.db2.gz FGMHPYLRNMSOTM-AWEZNQCLSA-N 2 1 286.872 3.598 20 0 CHADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2sccc2Cl)C1 ZINC000866706390 1124094403 /nfs/dbraw/zinc/09/44/03/1124094403.db2.gz HUZQPEHPAPFDSL-CQSZACIVSA-N 2 1 286.872 3.598 20 0 CHADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2sccc2Cl)C1 ZINC000866706390 1124094407 /nfs/dbraw/zinc/09/44/07/1124094407.db2.gz HUZQPEHPAPFDSL-CQSZACIVSA-N 2 1 286.872 3.598 20 0 CHADMP CC1CC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000621384321 1129170272 /nfs/dbraw/zinc/17/02/72/1129170272.db2.gz BUYQRWOCKUMYEX-DHRZBBNESA-N 2 1 286.463 3.675 20 0 CHADMP CC1CC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000621384321 1129170275 /nfs/dbraw/zinc/17/02/75/1129170275.db2.gz BUYQRWOCKUMYEX-DHRZBBNESA-N 2 1 286.463 3.675 20 0 CHADMP CCCc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000621361572 1129172000 /nfs/dbraw/zinc/17/20/00/1129172000.db2.gz CAQZHOFGEDTEKY-CQSZACIVSA-N 2 1 280.481 3.522 20 0 CHADMP C[C@@H](C[N@@H+](C)CC1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000525875291 1124476511 /nfs/dbraw/zinc/47/65/11/1124476511.db2.gz AXNZHBLANKTREY-AWEZNQCLSA-N 2 1 294.870 3.717 20 0 CHADMP CC(C)C[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000525985817 1124490837 /nfs/dbraw/zinc/49/08/37/1124490837.db2.gz URIAICJCSZUUBY-PKOBYXMFSA-N 2 1 288.479 3.748 20 0 CHADMP CC[NH+]1CCC([N@H+](C)C[C@H](C)c2cccc(Cl)c2)CC1 ZINC000526114151 1124509558 /nfs/dbraw/zinc/50/95/58/1124509558.db2.gz WVDVQBVZTWWSPM-AWEZNQCLSA-N 2 1 294.870 3.860 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)C[C@H](C)c2cccc(Cl)c2)CC1 ZINC000526114151 1124509568 /nfs/dbraw/zinc/50/95/68/1124509568.db2.gz WVDVQBVZTWWSPM-AWEZNQCLSA-N 2 1 294.870 3.860 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)CC[C@@H](C)c2ccccc2)CC1 ZINC000447797489 1124525822 /nfs/dbraw/zinc/52/58/22/1124525822.db2.gz KMVIAUDBIGKJMR-QGZVFWFLSA-N 2 1 288.479 3.985 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1cc2ccccc2o1 ZINC000526949596 1124527545 /nfs/dbraw/zinc/52/75/45/1124527545.db2.gz HDHCIEANHCUMIE-ZBFHGGJFSA-N 2 1 286.419 3.958 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1cc2ccccc2o1 ZINC000526949596 1124527548 /nfs/dbraw/zinc/52/75/48/1124527548.db2.gz HDHCIEANHCUMIE-ZBFHGGJFSA-N 2 1 286.419 3.958 20 0 CHADMP c1cc2cccc(C[NH+]3CCC([NH2+]C4CCC4)CC3)c2o1 ZINC001119982438 1131269330 /nfs/dbraw/zinc/26/93/30/1131269330.db2.gz JCYQCRUVUDRQSK-UHFFFAOYSA-N 2 1 284.403 3.539 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3ccoc32)C[C@H]1C ZINC000449033237 1124637114 /nfs/dbraw/zinc/63/71/14/1124637114.db2.gz ZEIGBMOSWUASOA-RHSMWYFYSA-N 2 1 286.419 3.737 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3ccoc32)C[C@H]1C ZINC000449033237 1124637117 /nfs/dbraw/zinc/63/71/17/1124637117.db2.gz ZEIGBMOSWUASOA-RHSMWYFYSA-N 2 1 286.419 3.737 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3c(F)cccc32)[C@@H](C)C1 ZINC000449349857 1124697207 /nfs/dbraw/zinc/69/72/07/1124697207.db2.gz KNFVJMGQBVFWHY-KKXDTOCCSA-N 2 1 290.426 3.523 20 0 CHADMP CC[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449482472 1124763605 /nfs/dbraw/zinc/76/36/05/1124763605.db2.gz BVPHBNLMYDEAQW-YSHGAJCASA-N 2 1 286.463 3.675 20 0 CHADMP CC[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449482472 1124763609 /nfs/dbraw/zinc/76/36/09/1124763609.db2.gz BVPHBNLMYDEAQW-YSHGAJCASA-N 2 1 286.463 3.675 20 0 CHADMP C[C@H](Cc1coc2ccccc12)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449559976 1124800151 /nfs/dbraw/zinc/80/01/51/1124800151.db2.gz DRJSCXLDRKYJPK-HZTRTUMWSA-N 2 1 298.430 3.579 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560216 1124802402 /nfs/dbraw/zinc/80/24/02/1124802402.db2.gz HSINYCYRWKIETL-CSNJMZFVSA-N 2 1 278.484 3.974 20 0 CHADMP Cc1ccc([C@H]2CCC[C@@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000449561018 1124803634 /nfs/dbraw/zinc/80/36/34/1124803634.db2.gz RPHBFOWACFGCKQ-NOSIKRSBSA-N 2 1 298.474 3.846 20 0 CHADMP CCC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449735131 1124854048 /nfs/dbraw/zinc/85/40/48/1124854048.db2.gz PNTLLNOEJSZUNT-BRSBDYLESA-N 2 1 278.484 3.809 20 0 CHADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000449783607 1124871694 /nfs/dbraw/zinc/87/16/94/1124871694.db2.gz QIULHRYVTUTKLH-STQMWFEESA-N 2 1 292.389 3.572 20 0 CHADMP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000449783607 1124871700 /nfs/dbraw/zinc/87/17/00/1124871700.db2.gz QIULHRYVTUTKLH-STQMWFEESA-N 2 1 292.389 3.572 20 0 CHADMP C[C@H](C[NH2+][C@H](C)c1ccnc(Cl)c1)C[NH+]1CCCCC1 ZINC000125618124 1124908003 /nfs/dbraw/zinc/90/80/03/1124908003.db2.gz GRIQOYBIUGHKNO-ZIAGYGMSSA-N 2 1 295.858 3.508 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)CC/C=C/c2ccccc2)CC1 ZINC000450338586 1124986412 /nfs/dbraw/zinc/98/64/12/1124986412.db2.gz LKIJTOZXCYFHKK-YRNVUSSQSA-N 2 1 286.463 3.895 20 0 CHADMP Cc1cccc(Cl)c1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000450429965 1125021550 /nfs/dbraw/zinc/02/15/50/1125021550.db2.gz OLTRBRHKESBOHQ-HNNXBMFYSA-N 2 1 292.854 3.566 20 0 CHADMP Cc1cccc(Cl)c1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000450429965 1125021559 /nfs/dbraw/zinc/02/15/59/1125021559.db2.gz OLTRBRHKESBOHQ-HNNXBMFYSA-N 2 1 292.854 3.566 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC000450460394 1125028912 /nfs/dbraw/zinc/02/89/12/1125028912.db2.gz NYTGTFXWEGTNIK-KRWDZBQOSA-N 2 1 264.457 3.541 20 0 CHADMP C[N@H+]1CCCC12CCN(CC/C=C\c1ccccc1)CC2 ZINC000450649298 1125078929 /nfs/dbraw/zinc/07/89/29/1125078929.db2.gz XKDACPQFPRRRAC-YHYXMXQVSA-N 2 1 284.447 3.650 20 0 CHADMP C[N@@H+]1CCCC12CC[NH+](CC/C=C\c1ccccc1)CC2 ZINC000450649298 1125078935 /nfs/dbraw/zinc/07/89/35/1125078935.db2.gz XKDACPQFPRRRAC-YHYXMXQVSA-N 2 1 284.447 3.650 20 0 CHADMP C[N@H+]1CCCC12CC[NH+](CC/C=C\c1ccccc1)CC2 ZINC000450649298 1125078942 /nfs/dbraw/zinc/07/89/42/1125078942.db2.gz XKDACPQFPRRRAC-YHYXMXQVSA-N 2 1 284.447 3.650 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC000392236904 1125142705 /nfs/dbraw/zinc/14/27/05/1125142705.db2.gz GSJAEXKVXADGFT-IRXDYDNUSA-N 2 1 278.484 3.833 20 0 CHADMP C[NH+]1CCC2(CCC[N@H+]2C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000530442766 1125154166 /nfs/dbraw/zinc/15/41/66/1125154166.db2.gz KXHVFZIBVKLXHX-MRXNPFEDSA-N 2 1 278.484 3.763 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C(C)(C)C)cc2)CC[N@H+]1C ZINC000531378862 1125211577 /nfs/dbraw/zinc/21/15/77/1125211577.db2.gz DIQPMWVGGAMTAD-YJBOKZPZSA-N 2 1 288.479 3.899 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C(C)(C)C)cc2)CC[N@@H+]1C ZINC000531378862 1125211574 /nfs/dbraw/zinc/21/15/74/1125211574.db2.gz DIQPMWVGGAMTAD-YJBOKZPZSA-N 2 1 288.479 3.899 20 0 CHADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C(C)(C)C)cc2)CC[NH+]1C ZINC000531378862 1125211581 /nfs/dbraw/zinc/21/15/81/1125211581.db2.gz DIQPMWVGGAMTAD-YJBOKZPZSA-N 2 1 288.479 3.899 20 0 CHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C(C)(C)C)cc2)CC[NH+]1C ZINC000531378862 1125211584 /nfs/dbraw/zinc/21/15/84/1125211584.db2.gz DIQPMWVGGAMTAD-YJBOKZPZSA-N 2 1 288.479 3.899 20 0 CHADMP CC[N@H+]1CC[C@H](N(C)C/C=C\c2ccccc2)C[C@H]1C ZINC000531381984 1125213979 /nfs/dbraw/zinc/21/39/79/1125213979.db2.gz QVAVCBJWJMQQIU-MPCXQGPMSA-N 2 1 272.436 3.504 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)C/C=C\c2ccccc2)C[C@H]1C ZINC000531381984 1125213984 /nfs/dbraw/zinc/21/39/84/1125213984.db2.gz QVAVCBJWJMQQIU-MPCXQGPMSA-N 2 1 272.436 3.504 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C/C=C\c2ccccc2)C[C@H]1C ZINC000531381984 1125213986 /nfs/dbraw/zinc/21/39/86/1125213986.db2.gz QVAVCBJWJMQQIU-MPCXQGPMSA-N 2 1 272.436 3.504 20 0 CHADMP CC[N@H+]1CC[C@H](N(C)C/C=C/c2ccccc2)C[C@H]1C ZINC000531381983 1125214206 /nfs/dbraw/zinc/21/42/06/1125214206.db2.gz QVAVCBJWJMQQIU-KDALUPEMSA-N 2 1 272.436 3.504 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)C/C=C/c2ccccc2)C[C@H]1C ZINC000531381983 1125214210 /nfs/dbraw/zinc/21/42/10/1125214210.db2.gz QVAVCBJWJMQQIU-KDALUPEMSA-N 2 1 272.436 3.504 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C/C=C/c2ccccc2)C[C@H]1C ZINC000531381983 1125214213 /nfs/dbraw/zinc/21/42/13/1125214213.db2.gz QVAVCBJWJMQQIU-KDALUPEMSA-N 2 1 272.436 3.504 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)ccc2C)C[C@@H]1C ZINC000531378971 1125214312 /nfs/dbraw/zinc/21/43/12/1125214312.db2.gz CROAVKRRINJCPM-WMZOPIPTSA-N 2 1 274.452 3.608 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)C ZINC000398173357 1125336413 /nfs/dbraw/zinc/33/64/13/1125336413.db2.gz IKVLIMXWFFLEQZ-NVXWUHKLSA-N 2 1 274.452 3.533 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)C ZINC000398173357 1125336415 /nfs/dbraw/zinc/33/64/15/1125336415.db2.gz IKVLIMXWFFLEQZ-NVXWUHKLSA-N 2 1 274.452 3.533 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCC1(C)C ZINC000398181126 1125337264 /nfs/dbraw/zinc/33/72/64/1125337264.db2.gz HTRDCGWYHGKDPR-KBAYOESNSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCC1(C)C ZINC000398181126 1125337265 /nfs/dbraw/zinc/33/72/65/1125337265.db2.gz HTRDCGWYHGKDPR-KBAYOESNSA-N 2 1 286.463 3.675 20 0 CHADMP CCC(CC)[C@@H](C[NH2+][C@@H](C)CCc1ccco1)[NH+](C)C ZINC000035451848 1125353637 /nfs/dbraw/zinc/35/36/37/1125353637.db2.gz AEPYLUZLOPYHEV-WMLDXEAASA-N 2 1 280.456 3.557 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCC[C@H](C)CC2)cn1 ZINC000882905763 1125361439 /nfs/dbraw/zinc/36/14/39/1125361439.db2.gz SSRDKBFHABEXFU-YOEHRIQHSA-N 2 1 298.434 3.634 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C)cc2OC)CC1 ZINC000037236931 1125364929 /nfs/dbraw/zinc/36/49/29/1125364929.db2.gz YQKRNAPQWBMLTK-OAHLLOKOSA-N 2 1 290.451 3.529 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1sccc1Cl ZINC000883188863 1125375337 /nfs/dbraw/zinc/37/53/37/1125375337.db2.gz RZBPJVYSRRUKOB-DGCLKSJQSA-N 2 1 286.872 3.784 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1sccc1Cl ZINC000883188863 1125375339 /nfs/dbraw/zinc/37/53/39/1125375339.db2.gz RZBPJVYSRRUKOB-DGCLKSJQSA-N 2 1 286.872 3.784 20 0 CHADMP C1=C[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000883236911 1125382068 /nfs/dbraw/zinc/38/20/68/1125382068.db2.gz MZRQLKCOPFVHCV-HKUYNNGSSA-N 2 1 296.458 3.739 20 0 CHADMP C1=C[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000883236911 1125382071 /nfs/dbraw/zinc/38/20/71/1125382071.db2.gz MZRQLKCOPFVHCV-HKUYNNGSSA-N 2 1 296.458 3.739 20 0 CHADMP C1=C[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000883246564 1125383758 /nfs/dbraw/zinc/38/37/58/1125383758.db2.gz LOHCWSWFALFEME-FRYIKTPZSA-N 2 1 296.458 3.738 20 0 CHADMP CC[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000532446403 1125387389 /nfs/dbraw/zinc/38/73/89/1125387389.db2.gz WSZYPMPIJQSSRW-CVEARBPZSA-N 2 1 274.452 3.949 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H](c2cccs2)C2CCCC2)C1 ZINC000044533005 1125394091 /nfs/dbraw/zinc/39/40/91/1125394091.db2.gz WVFJVIKBANMVQF-RHSMWYFYSA-N 2 1 292.492 3.911 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+]C2CC(c3cccc(Cl)c3)C2)C1 ZINC000044533516 1125394329 /nfs/dbraw/zinc/39/43/29/1125394329.db2.gz FKRMOFNUQGHISD-BZOOQXSSSA-N 2 1 292.854 3.517 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CCCSC[C@H]1c1ccccc1 ZINC000883460691 1125410505 /nfs/dbraw/zinc/41/05/05/1125410505.db2.gz DNAAZDIYEUKFSV-KRWDZBQOSA-N 2 1 292.492 3.686 20 0 CHADMP CC1CCC([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)CC1 ZINC001168204194 1125410809 /nfs/dbraw/zinc/41/08/09/1125410809.db2.gz CRVOVEULRUSZRG-UHFFFAOYSA-N 2 1 290.426 3.654 20 0 CHADMP CC1CCC([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CC1 ZINC001168211375 1125412876 /nfs/dbraw/zinc/41/28/76/1125412876.db2.gz CZQJEAYHZWYCOS-UHFFFAOYSA-N 2 1 290.495 3.906 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000124005827 1125434656 /nfs/dbraw/zinc/43/46/56/1125434656.db2.gz SDGAQIRZNKZGML-SFHVURJKSA-N 2 1 287.451 3.794 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000124005827 1125434657 /nfs/dbraw/zinc/43/46/57/1125434657.db2.gz SDGAQIRZNKZGML-SFHVURJKSA-N 2 1 287.451 3.794 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC000124966006 1125444147 /nfs/dbraw/zinc/44/41/47/1125444147.db2.gz AXCKBIJNWUXFAD-ZDUSSCGKSA-N 2 1 291.826 3.928 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC000124966006 1125444148 /nfs/dbraw/zinc/44/41/48/1125444148.db2.gz AXCKBIJNWUXFAD-ZDUSSCGKSA-N 2 1 291.826 3.928 20 0 CHADMP C[C@H](c1ccccc1)[N@@H+](CC[C@H]1CCC[NH+]1C)C1CC1 ZINC000348258266 1125446997 /nfs/dbraw/zinc/44/69/97/1125446997.db2.gz WHMHWSPGHDOYLR-NVXWUHKLSA-N 2 1 272.436 3.696 20 0 CHADMP C[C@H](c1ccccc1)[NH+](CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000348258266 1125446999 /nfs/dbraw/zinc/44/69/99/1125446999.db2.gz WHMHWSPGHDOYLR-NVXWUHKLSA-N 2 1 272.436 3.696 20 0 CHADMP C[C@H](c1ccccc1)[NH+](CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC000348258266 1125447001 /nfs/dbraw/zinc/44/70/01/1125447001.db2.gz WHMHWSPGHDOYLR-NVXWUHKLSA-N 2 1 272.436 3.696 20 0 CHADMP CCc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000163552785 1129203132 /nfs/dbraw/zinc/20/31/32/1129203132.db2.gz CLZJTUYUXGSJKL-QAPCUYQASA-N 2 1 288.479 3.599 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc(C)cc2)[C@H](C)C1 ZINC000164842793 1129210954 /nfs/dbraw/zinc/21/09/54/1129210954.db2.gz YCAUYRBPZIFDDK-SJLPKXTDSA-N 2 1 288.479 3.593 20 0 CHADMP CC[N@@H+](c1ccc(N[C@H]2CC[NH+](C)[C@@H](C)C2)cc1)C(C)C ZINC000245612120 1129213960 /nfs/dbraw/zinc/21/39/60/1129213960.db2.gz KSEPUJAKGHNZSS-RDJZCZTQSA-N 2 1 289.467 3.816 20 0 CHADMP CC[N@H+](c1ccc(N[C@H]2CC[NH+](C)[C@@H](C)C2)cc1)C(C)C ZINC000245612120 1129213965 /nfs/dbraw/zinc/21/39/65/1129213965.db2.gz KSEPUJAKGHNZSS-RDJZCZTQSA-N 2 1 289.467 3.816 20 0 CHADMP CC[NH+](c1ccc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1)C(C)C ZINC000245612120 1129213967 /nfs/dbraw/zinc/21/39/67/1129213967.db2.gz KSEPUJAKGHNZSS-RDJZCZTQSA-N 2 1 289.467 3.816 20 0 CHADMP CC[NH+](c1ccc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1)C(C)C ZINC000245612120 1129213973 /nfs/dbraw/zinc/21/39/73/1129213973.db2.gz KSEPUJAKGHNZSS-RDJZCZTQSA-N 2 1 289.467 3.816 20 0 CHADMP CC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638291077 1129252440 /nfs/dbraw/zinc/25/24/40/1129252440.db2.gz ZPCIYMHZHODZBL-ZVZYQTTQSA-N 2 1 272.436 3.743 20 0 CHADMP CC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638291077 1129252442 /nfs/dbraw/zinc/25/24/42/1129252442.db2.gz ZPCIYMHZHODZBL-ZVZYQTTQSA-N 2 1 272.436 3.743 20 0 CHADMP CC[C@@](C)([NH2+]CCCn1cc[nH+]c1C)c1ccc(F)cc1 ZINC000639929894 1129340891 /nfs/dbraw/zinc/34/08/91/1129340891.db2.gz XZPOVBYOMHASGM-QGZVFWFLSA-N 2 1 289.398 3.636 20 0 CHADMP C[C@@H](c1ccccc1)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639980928 1129342594 /nfs/dbraw/zinc/34/25/94/1129342594.db2.gz DWWGWGGXMJXSCR-INIZCTEOSA-N 2 1 272.436 3.698 20 0 CHADMP C[C@@H](CC[N@H+]1CCC2(CCC2)C1)[NH+]1CCC2(CCC2)C1 ZINC000178316819 1129342696 /nfs/dbraw/zinc/34/26/96/1129342696.db2.gz ZMIMEQWQDGIMQS-INIZCTEOSA-N 2 1 276.468 3.517 20 0 CHADMP C[C@@H](CC[NH+]1CCC2(CCC2)C1)[N@@H+]1CCC2(CCC2)C1 ZINC000178316819 1129342700 /nfs/dbraw/zinc/34/27/00/1129342700.db2.gz ZMIMEQWQDGIMQS-INIZCTEOSA-N 2 1 276.468 3.517 20 0 CHADMP C[C@@H](CC[NH+]1CCC2(CCC2)C1)[N@H+]1CCC2(CCC2)C1 ZINC000178316819 1129342702 /nfs/dbraw/zinc/34/27/02/1129342702.db2.gz ZMIMEQWQDGIMQS-INIZCTEOSA-N 2 1 276.468 3.517 20 0 CHADMP CCC1([NH+](C)C)CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000640017932 1129345063 /nfs/dbraw/zinc/34/50/63/1129345063.db2.gz NGZVAQRQLFQNJO-OAHLLOKOSA-N 2 1 260.425 3.554 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@H](C)C(C)(C)C ZINC000640351371 1129355652 /nfs/dbraw/zinc/35/56/52/1129355652.db2.gz YBFDMWLHXZHRNP-AWEZNQCLSA-N 2 1 265.445 3.586 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@H](C)C(C)(C)C ZINC000640351371 1129355655 /nfs/dbraw/zinc/35/56/55/1129355655.db2.gz YBFDMWLHXZHRNP-AWEZNQCLSA-N 2 1 265.445 3.586 20 0 CHADMP CC[N@@H+](Cc1ccoc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818824 1129427557 /nfs/dbraw/zinc/42/75/57/1129427557.db2.gz XDJLMFIUSAHLPJ-SFHVURJKSA-N 2 1 298.430 3.624 20 0 CHADMP CC[N@H+](Cc1ccoc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818824 1129427560 /nfs/dbraw/zinc/42/75/60/1129427560.db2.gz XDJLMFIUSAHLPJ-SFHVURJKSA-N 2 1 298.430 3.624 20 0 CHADMP CC[NH+](Cc1ccoc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818824 1129427564 /nfs/dbraw/zinc/42/75/64/1129427564.db2.gz XDJLMFIUSAHLPJ-SFHVURJKSA-N 2 1 298.430 3.624 20 0 CHADMP CC[NH+](Cc1ccoc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818824 1129427567 /nfs/dbraw/zinc/42/75/67/1129427567.db2.gz XDJLMFIUSAHLPJ-SFHVURJKSA-N 2 1 298.430 3.624 20 0 CHADMP Cc1nc([C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c(C)s1 ZINC000643513990 1129443747 /nfs/dbraw/zinc/44/37/47/1129443747.db2.gz BZEPQHYAQWJMST-GHMZBOCLSA-N 2 1 289.448 3.630 20 0 CHADMP Clc1cc2c(c(Cl)c1)[C@H]([NH2+][C@H]1CCC[NH2+]CC1)CC2 ZINC000643522203 1129444141 /nfs/dbraw/zinc/44/41/41/1129444141.db2.gz JNUIUZIVRGBFII-GXTWGEPZSA-N 2 1 299.245 3.712 20 0 CHADMP CCCC1CCC([NH+]2C[C@H]3C[N@H+](CCC)C[C@H]3C2)CC1 ZINC001258534669 1129449884 /nfs/dbraw/zinc/44/98/84/1129449884.db2.gz NKZHSRBJLMBXNZ-ZTOOSOLZSA-N 2 1 278.484 3.619 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2ccccc2)CC[N@H+]1C ZINC000742374755 1129475578 /nfs/dbraw/zinc/47/55/78/1129475578.db2.gz FWUQJSRYXDZLSQ-VQIMIIECSA-N 2 1 294.442 3.926 20 0 CHADMP CCCCCC(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250813297 1129498658 /nfs/dbraw/zinc/49/86/58/1129498658.db2.gz IAUSLSVGPULCDN-CVEARBPZSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344160 1129571723 /nfs/dbraw/zinc/57/17/23/1129571723.db2.gz KQPICJIEHNJIBG-NQYYFHDYSA-N 2 1 286.463 3.500 20 0 CHADMP C[C@@H](CCC1CC1)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647343686 1129571948 /nfs/dbraw/zinc/57/19/48/1129571948.db2.gz AECOFQNSHLCTER-IPELMVKDSA-N 2 1 286.463 3.500 20 0 CHADMP CCC[C@@H](CC)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344772 1129572300 /nfs/dbraw/zinc/57/23/00/1129572300.db2.gz YYTRMGDPNKFQCL-KURKYZTESA-N 2 1 274.452 3.500 20 0 CHADMP CC[C@H]1C[N@H+](Cc2c(Cl)oc3ccccc32)CC[C@H]1[NH3+] ZINC000647498843 1129579863 /nfs/dbraw/zinc/57/98/63/1129579863.db2.gz RWDSETYMBYYAEV-SMDDNHRTSA-N 2 1 292.810 3.645 20 0 CHADMP CC[C@H]1C[N@@H+](Cc2c(Cl)oc3ccccc32)CC[C@H]1[NH3+] ZINC000647498843 1129579867 /nfs/dbraw/zinc/57/98/67/1129579867.db2.gz RWDSETYMBYYAEV-SMDDNHRTSA-N 2 1 292.810 3.645 20 0 CHADMP CC[C@H]1C[N@@H+](CCCc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000647936279 1129587999 /nfs/dbraw/zinc/58/79/99/1129587999.db2.gz ATUGROIZTGPUIP-JXFKEZNVSA-N 2 1 296.458 3.832 20 0 CHADMP CC(C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000380923375 1129641512 /nfs/dbraw/zinc/64/15/12/1129641512.db2.gz ZQBOMZBTDYCGQI-WMZOPIPTSA-N 2 1 274.452 3.533 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2)CCC[C@@H]1C[NH3+] ZINC001205996193 1129687128 /nfs/dbraw/zinc/68/71/28/1129687128.db2.gz VWWBBTKPKBHJEB-HNAYVOBHSA-N 2 1 282.431 3.647 20 0 CHADMP Cc1ccc(Cl)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1F ZINC001205996566 1129690781 /nfs/dbraw/zinc/69/07/81/1129690781.db2.gz XHMVOSPLNGEWBR-STQMWFEESA-N 2 1 298.833 3.594 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCCC[C@H]1c1ccccc1)C2 ZINC001169098147 1129696438 /nfs/dbraw/zinc/69/64/38/1129696438.db2.gz GDSAVDKIWCYNNN-LJDSDSDDSA-N 2 1 298.474 3.928 20 0 CHADMP CCCCCC(C)(C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169098824 1129696623 /nfs/dbraw/zinc/69/66/23/1129696623.db2.gz LFEJXDZJQMKHTQ-QKDCVEJESA-N 2 1 252.446 3.560 20 0 CHADMP CC(C)[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1F ZINC001169101123 1129697932 /nfs/dbraw/zinc/69/79/32/1129697932.db2.gz OQWYQXVDAAGYQS-KRXQYRFLSA-N 2 1 290.426 3.738 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NCc1ccc(Cl)cc1Cl)C2 ZINC001169089352 1129699287 /nfs/dbraw/zinc/69/92/87/1129699287.db2.gz CBSIYTFDNRTCKM-BTTYYORXSA-N 2 1 299.245 3.708 20 0 CHADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(C)cc1C ZINC001169116626 1129699876 /nfs/dbraw/zinc/69/98/76/1129699876.db2.gz RKKSCCFZEYIVLR-SFNKJDCFSA-N 2 1 286.463 3.969 20 0 CHADMP Cc1cccc([C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C(C)C)c1 ZINC001169119348 1129700478 /nfs/dbraw/zinc/70/04/78/1129700478.db2.gz RRODKXPNHVBCQM-FCGDIQPGSA-N 2 1 286.463 3.907 20 0 CHADMP Cc1ccc(CC2(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001169117144 1129700855 /nfs/dbraw/zinc/70/08/55/1129700855.db2.gz WLMVWYDKOALVCA-REPLKXPHSA-N 2 1 298.474 3.533 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC[C@@H](C(C)(C)C)CC1)C2 ZINC001169123836 1129701839 /nfs/dbraw/zinc/70/18/39/1129701839.db2.gz NCJRMJGGGYDEAB-XABIJQAGSA-N 2 1 278.484 3.806 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCC1CCCCC1)C2 ZINC001169113853 1129703721 /nfs/dbraw/zinc/70/37/21/1129703721.db2.gz VALDMTNXAGJYMO-OSYLJGHBSA-N 2 1 264.457 3.562 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(C)(C)c1cccc(Cl)c1)C2 ZINC001169107646 1129703751 /nfs/dbraw/zinc/70/37/51/1129703751.db2.gz IUKWUXIXMGGWFN-MUJYYYPQSA-N 2 1 292.854 3.790 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169147185 1129704579 /nfs/dbraw/zinc/70/45/79/1129704579.db2.gz SWPRZCMKHLBVHJ-VZEFYGNVSA-N 2 1 292.854 3.958 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169147185 1129704582 /nfs/dbraw/zinc/70/45/82/1129704582.db2.gz SWPRZCMKHLBVHJ-VZEFYGNVSA-N 2 1 292.854 3.958 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169147185 1129704585 /nfs/dbraw/zinc/70/45/85/1129704585.db2.gz SWPRZCMKHLBVHJ-VZEFYGNVSA-N 2 1 292.854 3.958 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)c(Cl)c2)CC1 ZINC001169232889 1129711193 /nfs/dbraw/zinc/71/11/93/1129711193.db2.gz HKWBTMDXXOSZER-ZDUSSCGKSA-N 2 1 280.843 3.783 20 0 CHADMP CC[NH+]1CCC([N@@H+]2CCC[C@H]2c2cc(C)cc(C)c2)CC1 ZINC001169263632 1129711342 /nfs/dbraw/zinc/71/13/42/1129711342.db2.gz CHZBDXBSFXXKDO-IBGZPJMESA-N 2 1 286.463 3.925 20 0 CHADMP CC[NH+]1CCC([N@H+]2CCC[C@H]2c2cc(C)cc(C)c2)CC1 ZINC001169263632 1129711344 /nfs/dbraw/zinc/71/13/44/1129711344.db2.gz CHZBDXBSFXXKDO-IBGZPJMESA-N 2 1 286.463 3.925 20 0 CHADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccccc1Cl ZINC000650752761 1129721169 /nfs/dbraw/zinc/72/11/69/1129721169.db2.gz ZVUQBICTZUGOSW-LLVKDONJSA-N 2 1 292.785 3.789 20 0 CHADMP CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001258779859 1129726486 /nfs/dbraw/zinc/72/64/86/1129726486.db2.gz HYQIQRHDRQVNMF-VGWMRTNUSA-N 2 1 254.462 3.664 20 0 CHADMP C[NH+](C)CCC(C)(C)Nc1cc(C(C)(C)C)cc[nH+]1 ZINC001169717345 1129749938 /nfs/dbraw/zinc/74/99/38/1129749938.db2.gz BIVSABLJCTVCDB-UHFFFAOYSA-N 2 1 263.429 3.521 20 0 CHADMP CC[N@@H+](CCC[NH2+]C1CCSCC1)C1CCCCC1 ZINC000651910552 1129751008 /nfs/dbraw/zinc/75/10/08/1129751008.db2.gz YMAZSTIOKAQGNU-UHFFFAOYSA-N 2 1 284.513 3.516 20 0 CHADMP C[C@@H]([NH2+]C1(C2CCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000652272701 1129762015 /nfs/dbraw/zinc/76/20/15/1129762015.db2.gz UFLLYFLJAHWSSE-AEFFLSMTSA-N 2 1 298.474 3.819 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)CCC(C)(C)C2CC2)CC1 ZINC000653534817 1129783184 /nfs/dbraw/zinc/78/31/84/1129783184.db2.gz YQSPKOMTRGMVQS-UHFFFAOYSA-N 2 1 266.473 3.617 20 0 CHADMP Cn1cncc1CCC[N@H+]1CC(C)(C)C[C@@H]1c1ccccc1 ZINC000653770015 1129794355 /nfs/dbraw/zinc/79/43/55/1129794355.db2.gz VXVVJCSKSCIFDN-GOSISDBHSA-N 2 1 297.446 3.826 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+]1CC(C)(C)C[C@@H]1c1ccccc1 ZINC000653770015 1129794356 /nfs/dbraw/zinc/79/43/56/1129794356.db2.gz VXVVJCSKSCIFDN-GOSISDBHSA-N 2 1 297.446 3.826 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+]1CC(C)(C)C[C@@H]1c1ccccc1 ZINC000653770015 1129794358 /nfs/dbraw/zinc/79/43/58/1129794358.db2.gz VXVVJCSKSCIFDN-GOSISDBHSA-N 2 1 297.446 3.826 20 0 CHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CC4CCC4)CC[C@@H]3C2)cc1 ZINC001202792032 1129844086 /nfs/dbraw/zinc/84/40/86/1129844086.db2.gz HWZAWQBTTKKUPO-WOJBJXKFSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CC4CCC4)CC[C@@H]3C2)cc1 ZINC001202792032 1129844090 /nfs/dbraw/zinc/84/40/90/1129844090.db2.gz HWZAWQBTTKKUPO-WOJBJXKFSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CC4CCC4)CC[C@@H]3C2)cc1 ZINC001202792032 1129844095 /nfs/dbraw/zinc/84/40/95/1129844095.db2.gz HWZAWQBTTKKUPO-WOJBJXKFSA-N 2 1 298.474 3.631 20 0 CHADMP C[C@@]1(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)CC[N@@H+](Cc2ccccc2)C1 ZINC000800984469 1129902226 /nfs/dbraw/zinc/90/22/26/1129902226.db2.gz VHNXPNDJHUEHFM-YRPNKDGESA-N 2 1 298.474 3.677 20 0 CHADMP CCCC[C@H](CC(C)C)[NH2+]C[C@]1(C)CC[NH2+]CC1(F)F ZINC001246221867 1131410118 /nfs/dbraw/zinc/41/01/18/1131410118.db2.gz OVAKQOFQPBOLIP-CABCVRRESA-N 2 1 290.442 3.816 20 0 CHADMP CCCCCC[C@H](CC)[NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F ZINC001246221878 1131410784 /nfs/dbraw/zinc/41/07/84/1131410784.db2.gz PAAMIRIIQNWPNF-LSDHHAIUSA-N 2 1 290.442 3.960 20 0 CHADMP COc1ccc([C@@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1C ZINC000902405256 1130006836 /nfs/dbraw/zinc/00/68/36/1130006836.db2.gz LUWNSKBDBTWTJL-BVGQSLNGSA-N 2 1 296.414 3.799 20 0 CHADMP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(-c2cccs2)cc1 ZINC000902415471 1130008820 /nfs/dbraw/zinc/00/88/20/1130008820.db2.gz OZRDIRSTQLRROL-GFCCVEGCSA-N 2 1 272.417 3.557 20 0 CHADMP C[C@@H](CCc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903055456 1130105676 /nfs/dbraw/zinc/10/56/76/1130105676.db2.gz GOEJNAOFVFMNLU-SHFXZJCHSA-N 2 1 298.474 3.755 20 0 CHADMP C[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[C@@H]1C ZINC000903055833 1130106204 /nfs/dbraw/zinc/10/62/04/1130106204.db2.gz MGNIUHYUTWHKFO-MUKREOIQSA-N 2 1 276.468 3.559 20 0 CHADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903084114 1130109680 /nfs/dbraw/zinc/10/96/80/1130109680.db2.gz VQVLIQUXFPLBFP-DQXYTYHJSA-N 2 1 284.447 3.885 20 0 CHADMP CC[C@H](C)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903117987 1130115332 /nfs/dbraw/zinc/11/53/32/1130115332.db2.gz CNPBODJJOITTRD-AEIJQKHESA-N 2 1 264.457 3.559 20 0 CHADMP C[C@H](CC(C)(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903183419 1130125567 /nfs/dbraw/zinc/12/55/67/1130125567.db2.gz ODLULFXMFALAJJ-WPXLMEDKSA-N 2 1 264.457 3.559 20 0 CHADMP CC(C)CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001170070090 1130134034 /nfs/dbraw/zinc/13/40/34/1130134034.db2.gz CEUMMEZMNBPSDM-WBVHZDCISA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001170070090 1130134035 /nfs/dbraw/zinc/13/40/35/1130134035.db2.gz CEUMMEZMNBPSDM-WBVHZDCISA-N 2 1 266.473 3.665 20 0 CHADMP CCc1ccc(C[N@@H+](CC2CC[NH+](C)CC2)C2CC2)cc1 ZINC000788475734 1130188917 /nfs/dbraw/zinc/18/89/17/1130188917.db2.gz VIUVPHYCFANXPO-UHFFFAOYSA-N 2 1 286.463 3.555 20 0 CHADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](C1c3ccccc3-c3ccccc31)C2 ZINC000903842781 1130205630 /nfs/dbraw/zinc/20/56/30/1130205630.db2.gz USVDSTODIJJINW-KKUMJFAQSA-N 2 1 290.410 3.568 20 0 CHADMP CC[C@@H]1c2ccsc2CC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903885591 1130207653 /nfs/dbraw/zinc/20/76/53/1130207653.db2.gz MKOPOIZHIFRIPG-NQKGRLOXSA-N 2 1 290.476 3.588 20 0 CHADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000903889984 1130208473 /nfs/dbraw/zinc/20/84/73/1130208473.db2.gz XCUDRAKLLCUUTK-OAGGEKHMSA-N 2 1 296.405 3.627 20 0 CHADMP CC(C)c1ccc(C(C)(C)[NH2+]C[C@H]([NH3+])CC(F)F)cc1 ZINC000903897401 1130209828 /nfs/dbraw/zinc/20/98/28/1130209828.db2.gz DCARENZTZXZGAR-CQSZACIVSA-N 2 1 284.394 3.617 20 0 CHADMP CC[N@@H+](C)C1CC[NH+]([C@@H](C)CCCC(C)C)CC1 ZINC001170090683 1130213911 /nfs/dbraw/zinc/21/39/11/1130213911.db2.gz NKDPDKOJNHXNDJ-HNNXBMFYSA-N 2 1 254.462 3.617 20 0 CHADMP C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001170109204 1130255093 /nfs/dbraw/zinc/25/50/93/1130255093.db2.gz LZQGZPQKEJLDQS-ONSCTEFMSA-N 2 1 298.474 3.960 20 0 CHADMP C[C@H]1CC[C@@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170116321 1130273318 /nfs/dbraw/zinc/27/33/18/1130273318.db2.gz DSKGSWHVLXMHJW-YHUYYLMFSA-N 2 1 266.473 3.793 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@H]2CC=CCC2)C1 ZINC000676900947 1130275504 /nfs/dbraw/zinc/27/55/04/1130275504.db2.gz NOCSPJZSFFESGY-KSZLIROESA-N 2 1 278.484 3.690 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000676900946 1130275842 /nfs/dbraw/zinc/27/58/42/1130275842.db2.gz NOCSPJZSFFESGY-FGTMMUONSA-N 2 1 278.484 3.690 20 0 CHADMP C[C@H]1CC[C@@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001170138956 1130318340 /nfs/dbraw/zinc/31/83/40/1130318340.db2.gz SBMWIPIMFJFFFE-DOTOQJQBSA-N 2 1 276.468 3.515 20 0 CHADMP Cc1ncc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)s1 ZINC000677754686 1130330123 /nfs/dbraw/zinc/33/01/23/1130330123.db2.gz AOYNGYUHWFLIKU-ZIAGYGMSSA-N 2 1 295.496 3.757 20 0 CHADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1nccc2ccccc21 ZINC000678279204 1130388255 /nfs/dbraw/zinc/38/82/55/1130388255.db2.gz MLPHOEXOVNXTDF-QGZVFWFLSA-N 2 1 297.446 3.541 20 0 CHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1nccc2ccccc21 ZINC000678279204 1130388260 /nfs/dbraw/zinc/38/82/60/1130388260.db2.gz MLPHOEXOVNXTDF-QGZVFWFLSA-N 2 1 297.446 3.541 20 0 CHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1nccc2ccccc21 ZINC000678279204 1130388266 /nfs/dbraw/zinc/38/82/66/1130388266.db2.gz MLPHOEXOVNXTDF-QGZVFWFLSA-N 2 1 297.446 3.541 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1nccc2ccccc21 ZINC000678279204 1130388271 /nfs/dbraw/zinc/38/82/71/1130388271.db2.gz MLPHOEXOVNXTDF-QGZVFWFLSA-N 2 1 297.446 3.541 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1nccc2ccccc21 ZINC000678279204 1130388277 /nfs/dbraw/zinc/38/82/77/1130388277.db2.gz MLPHOEXOVNXTDF-QGZVFWFLSA-N 2 1 297.446 3.541 20 0 CHADMP CC[N@H+]1CC[C@H](N(C)Cc2nccc3ccccc32)C[C@H]1C ZINC000678277353 1130388609 /nfs/dbraw/zinc/38/86/09/1130388609.db2.gz SSYVBSDOHUPUDJ-WBVHZDCISA-N 2 1 297.446 3.539 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nccc3ccccc32)C[C@H]1C ZINC000678277353 1130388614 /nfs/dbraw/zinc/38/86/14/1130388614.db2.gz SSYVBSDOHUPUDJ-WBVHZDCISA-N 2 1 297.446 3.539 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2nccc3ccccc32)C[C@H]1C ZINC000678277353 1130388617 /nfs/dbraw/zinc/38/86/17/1130388617.db2.gz SSYVBSDOHUPUDJ-WBVHZDCISA-N 2 1 297.446 3.539 20 0 CHADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)nc2C)CC1 ZINC000678415364 1130412733 /nfs/dbraw/zinc/41/27/33/1130412733.db2.gz BHEXXKMTCRNGIY-INIZCTEOSA-N 2 1 289.467 3.614 20 0 CHADMP CCOc1ccc([C@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000678733861 1130448422 /nfs/dbraw/zinc/44/84/22/1130448422.db2.gz YTIXAYJPBBEWGB-DOTOQJQBSA-N 2 1 290.451 3.610 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)CC(C)(C)c2ccccc2)CC1 ZINC000678818334 1130460278 /nfs/dbraw/zinc/46/02/78/1130460278.db2.gz SJGDKCUBDVSSGQ-UHFFFAOYSA-N 2 1 288.479 3.770 20 0 CHADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(C)s2)CC1 ZINC001204035785 1130477572 /nfs/dbraw/zinc/47/75/72/1130477572.db2.gz UVKHXPXJAXGNJB-UHFFFAOYSA-N 2 1 280.481 3.753 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(C)s2)CC1 ZINC001204035785 1130477576 /nfs/dbraw/zinc/47/75/76/1130477576.db2.gz UVKHXPXJAXGNJB-UHFFFAOYSA-N 2 1 280.481 3.753 20 0 CHADMP C[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000679393205 1130526152 /nfs/dbraw/zinc/52/61/52/1130526152.db2.gz HTPUJHAXXYTNNP-MVJPYGJCSA-N 2 1 298.474 3.818 20 0 CHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCC1 ZINC000679398212 1130527787 /nfs/dbraw/zinc/52/77/87/1130527787.db2.gz MALSINGHOKYVHU-XLNTUCKNSA-N 2 1 298.474 3.960 20 0 CHADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000679627756 1130547067 /nfs/dbraw/zinc/54/70/67/1130547067.db2.gz WGVDMRTVJRYRSJ-JTDSTZFVSA-N 2 1 286.463 3.533 20 0 CHADMP CC1=C[C@H](C)C[C@@H](C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)C1 ZINC000811500555 1130617721 /nfs/dbraw/zinc/61/77/21/1130617721.db2.gz GUWNBSZZXSNNFK-FUHWJXTLSA-N 2 1 290.495 3.787 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234995120 1130701326 /nfs/dbraw/zinc/70/13/26/1130701326.db2.gz XROLXIRRVAULSX-HXUWFJFHSA-N 2 1 294.442 3.724 20 0 CHADMP C[C@@H](CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)CC(C)(C)C ZINC001234991479 1130701363 /nfs/dbraw/zinc/70/13/63/1130701363.db2.gz HUCMWJKKJBRRKL-RDJZCZTQSA-N 2 1 266.473 3.524 20 0 CHADMP c1cc(C2CCCCC2)ccc1C[N@@H+]1CCC2(C[NH2+]C2)C1 ZINC001235026309 1130703481 /nfs/dbraw/zinc/70/34/81/1130703481.db2.gz MULTWYCUNNYPIM-UHFFFAOYSA-N 2 1 284.447 3.530 20 0 CHADMP c1cc(C2CCCCC2)ccc1C[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001235026309 1130703487 /nfs/dbraw/zinc/70/34/87/1130703487.db2.gz MULTWYCUNNYPIM-UHFFFAOYSA-N 2 1 284.447 3.530 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235032295 1130703559 /nfs/dbraw/zinc/70/35/59/1130703559.db2.gz JHNVNDIZQXEHNG-IBGZPJMESA-N 2 1 286.463 3.560 20 0 CHADMP c1cc2c(cccc2C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)o1 ZINC001235040165 1130704765 /nfs/dbraw/zinc/70/47/65/1130704765.db2.gz QRJAKJGVPVTEBR-SFHVURJKSA-N 2 1 284.403 3.541 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C(C)C)CC2)CC1 ZINC000086944762 1130705218 /nfs/dbraw/zinc/70/52/18/1130705218.db2.gz RIDYOUGEZRCBPA-CVEARBPZSA-N 2 1 266.473 3.665 20 0 CHADMP CCCc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)s1 ZINC001235042462 1130705372 /nfs/dbraw/zinc/70/53/72/1130705372.db2.gz CICHCNJCYWRKGY-QGZVFWFLSA-N 2 1 292.492 3.809 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1C ZINC001235042355 1130705917 /nfs/dbraw/zinc/70/59/17/1130705917.db2.gz AVMVPEBWLVCSBN-LJQANCHMSA-N 2 1 286.463 3.720 20 0 CHADMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc(C)c1Cl ZINC001235092265 1130710480 /nfs/dbraw/zinc/71/04/80/1130710480.db2.gz JZQQCRCKRKAPOK-UHFFFAOYSA-N 2 1 292.854 3.532 20 0 CHADMP c1cc(C2CC2)ccc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235157276 1130715848 /nfs/dbraw/zinc/71/58/48/1130715848.db2.gz IDAMTMHKIKSMAH-HXUWFJFHSA-N 2 1 298.474 3.918 20 0 CHADMP Clc1csc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235160822 1130716142 /nfs/dbraw/zinc/71/61/42/1130716142.db2.gz QZOHZSMGMKIGDW-HNNXBMFYSA-N 2 1 298.883 3.756 20 0 CHADMP C[C@H](C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1)c1ccccc1 ZINC001235154958 1130716580 /nfs/dbraw/zinc/71/65/80/1130716580.db2.gz XJGJZISEPKQWKG-VQIMIIECSA-N 2 1 286.463 3.644 20 0 CHADMP Cc1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)sc1C ZINC001235156321 1130716686 /nfs/dbraw/zinc/71/66/86/1130716686.db2.gz FZZLLYITLJPNAI-QGZVFWFLSA-N 2 1 292.492 3.719 20 0 CHADMP c1ccc2cc(C[N@@H+]3CCCC[C@@]34CCC[NH2+]C4)ccc2c1 ZINC001235172403 1130717642 /nfs/dbraw/zinc/71/76/42/1130717642.db2.gz MNKMRLHINKPHPB-FQEVSTJZSA-N 2 1 294.442 3.948 20 0 CHADMP c1ccc2cc(C[N@H+]3CCCC[C@@]34CCC[NH2+]C4)ccc2c1 ZINC001235172403 1130717647 /nfs/dbraw/zinc/71/76/47/1130717647.db2.gz MNKMRLHINKPHPB-FQEVSTJZSA-N 2 1 294.442 3.948 20 0 CHADMP Cc1cc(C)c(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)c(C)c1 ZINC001235175491 1130718092 /nfs/dbraw/zinc/71/80/92/1130718092.db2.gz WPXXZKVOXBQGML-IBGZPJMESA-N 2 1 286.463 3.720 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)c(C)c1 ZINC001235175491 1130718096 /nfs/dbraw/zinc/71/80/96/1130718096.db2.gz WPXXZKVOXBQGML-IBGZPJMESA-N 2 1 286.463 3.720 20 0 CHADMP c1cc(C2CCCCC2)ccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235198061 1130722881 /nfs/dbraw/zinc/72/28/81/1130722881.db2.gz LPIKSMGVUOQMHI-WOJBJXKFSA-N 2 1 298.474 3.776 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001235253806 1130726958 /nfs/dbraw/zinc/72/69/58/1130726958.db2.gz FFNHBLPWXPFONS-ZWOKBUDYSA-N 2 1 292.426 3.584 20 0 CHADMP c1ccc([C@H]2C[NH2+]C[C@]23CCC[N@@H+]3CCC2CCCC2)cc1 ZINC001235247246 1130727328 /nfs/dbraw/zinc/72/73/28/1130727328.db2.gz BUEBJVODQPNQPK-WOJBJXKFSA-N 2 1 298.474 3.788 20 0 CHADMP c1ccc([C@H]2C[NH2+]C[C@]23CCC[N@@H+]3C[C@@H]2CC=CCC2)cc1 ZINC001235248005 1130727719 /nfs/dbraw/zinc/72/77/19/1130727719.db2.gz KWAMAMZQVBKZPE-MISYRCLQSA-N 2 1 296.458 3.564 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235403561 1130739369 /nfs/dbraw/zinc/73/93/69/1130739369.db2.gz LALPFNBYJQMTAC-OOUWWJCLSA-N 2 1 296.474 3.927 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235410506 1130740954 /nfs/dbraw/zinc/74/09/54/1130740954.db2.gz YILLZPCZUDEQSC-OKZBNKHCSA-N 2 1 296.474 3.783 20 0 CHADMP C(CC1CCCC1)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235424009 1130742324 /nfs/dbraw/zinc/74/23/24/1130742324.db2.gz IOGADNRBEPEMKD-ZWKOTPCHSA-N 2 1 278.484 3.668 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1C ZINC001235429784 1130744637 /nfs/dbraw/zinc/74/46/37/1130744637.db2.gz ZUCCMWSFWXTJGD-OALUTQOASA-N 2 1 286.463 3.515 20 0 CHADMP CCCC[N@@H+](CC[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC001235663572 1130763300 /nfs/dbraw/zinc/76/33/00/1130763300.db2.gz JABDVPAHDGJZFI-SFHVURJKSA-N 2 1 274.452 3.821 20 0 CHADMP [NH3+]Cc1cccc(C[N@H+]2CCC[C@H](c3ccccc3)C2)c1 ZINC001235666732 1130764155 /nfs/dbraw/zinc/76/41/55/1130764155.db2.gz VFRSQFFTWBPLEQ-IBGZPJMESA-N 2 1 280.415 3.525 20 0 CHADMP Cc1ccc([C@H]2CCC[N@H+]2CC2(C)CC[NH2+]CC2)cc1 ZINC001235680207 1130767810 /nfs/dbraw/zinc/76/78/10/1130767810.db2.gz QWGAIZSZEVXTGR-QGZVFWFLSA-N 2 1 272.436 3.522 20 0 CHADMP C[N@@H+](CCCC1CCCCC1)CCC1CC[NH2+]CC1 ZINC001235713769 1130771178 /nfs/dbraw/zinc/77/11/78/1130771178.db2.gz FYTJJYGBPUSNTE-UHFFFAOYSA-N 2 1 266.473 3.668 20 0 CHADMP Cc1cc(C[N@@H+](C)CCC2CC[NH2+]CC2)cc(C)c1Cl ZINC001235717849 1130772555 /nfs/dbraw/zinc/77/25/55/1130772555.db2.gz NPSDQMQSLKNWOM-UHFFFAOYSA-N 2 1 294.870 3.778 20 0 CHADMP CC[N@@H+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001235761202 1130776224 /nfs/dbraw/zinc/77/62/24/1130776224.db2.gz RCSMEKJGFXYCBG-WMLDXEAASA-N 2 1 292.854 3.517 20 0 CHADMP CCCCc1ccc(C[N@@H+](CC)C2CC[NH2+]CC2)cc1 ZINC001235759903 1130776295 /nfs/dbraw/zinc/77/62/95/1130776295.db2.gz FEPWMQALJKBSFO-UHFFFAOYSA-N 2 1 274.452 3.603 20 0 CHADMP CC[N@@H+](C[C@H]1C[C@@H]1c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001235761199 1130777515 /nfs/dbraw/zinc/77/75/15/1130777515.db2.gz RCSMEKJGFXYCBG-RHSMWYFYSA-N 2 1 292.854 3.517 20 0 CHADMP CC[N@@H+](Cc1ccc(C2CCC2)cc1)C1CC[NH2+]CC1 ZINC001235764951 1130778888 /nfs/dbraw/zinc/77/88/88/1130778888.db2.gz UAPCZVQLYHVPOL-UHFFFAOYSA-N 2 1 272.436 3.528 20 0 CHADMP C[N@H+](Cc1sc(Cl)c2ccccc21)C[C@H]1CC[NH2+]C1 ZINC001235840311 1130786918 /nfs/dbraw/zinc/78/69/18/1130786918.db2.gz JGFUYIFATXQDHT-NSHDSACASA-N 2 1 294.851 3.596 20 0 CHADMP [NH3+]CCCC[N@H+]1CC[C@H](c2cccc(Cl)c2Cl)C1 ZINC001235885737 1130793514 /nfs/dbraw/zinc/79/35/14/1130793514.db2.gz XGCHPCVCDSFSBQ-NSHDSACASA-N 2 1 287.234 3.522 20 0 CHADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccc(Cc2ccccc2)cc1 ZINC001235925652 1130805816 /nfs/dbraw/zinc/80/58/16/1130805816.db2.gz NOAMNUMVAKHSFL-FQEVSTJZSA-N 2 1 294.442 3.591 20 0 CHADMP [NH3+]CC[C@@H]1CCC[N@H+]1CC(c1ccccc1)c1ccccc1 ZINC001235925569 1130806119 /nfs/dbraw/zinc/80/61/19/1130806119.db2.gz VPEQEKMJYOZJBL-IBGZPJMESA-N 2 1 294.442 3.632 20 0 CHADMP CC(C)[N@H+](CC[NH3+])Cc1ccccc1-c1cccs1 ZINC001235948062 1130813524 /nfs/dbraw/zinc/81/35/24/1130813524.db2.gz RLMFSRSUDKHXBT-UHFFFAOYSA-N 2 1 274.433 3.584 20 0 CHADMP CC(C)[N@@H+](CC[NH3+])Cc1ccccc1-c1cccs1 ZINC001235948062 1130813528 /nfs/dbraw/zinc/81/35/28/1130813528.db2.gz RLMFSRSUDKHXBT-UHFFFAOYSA-N 2 1 274.433 3.584 20 0 CHADMP [NH3+]Cc1cccc(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)c1 ZINC001235959313 1130817112 /nfs/dbraw/zinc/81/71/12/1130817112.db2.gz HAOCLCIUKRCYAJ-HXUWFJFHSA-N 2 1 294.442 3.915 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC001235959915 1130817160 /nfs/dbraw/zinc/81/71/60/1130817160.db2.gz NMXUHYZNVSWAEH-SFHVURJKSA-N 2 1 274.452 3.775 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235958339 1130817272 /nfs/dbraw/zinc/81/72/72/1130817272.db2.gz ZSTHFXZGPPFAQQ-CQSZACIVSA-N 2 1 288.460 3.641 20 0 CHADMP Cc1ccc(-c2cccc(C[N@@H+]3C[C@H]4CC[C@@]4([NH3+])C3)c2)cc1 ZINC001235990157 1130824279 /nfs/dbraw/zinc/82/42/79/1130824279.db2.gz LLJPTLRYALBZBX-WOJBJXKFSA-N 2 1 292.426 3.585 20 0 CHADMP Cc1ccc(-c2cccc(C[N@H+]3C[C@H]4CC[C@@]4([NH3+])C3)c2)cc1 ZINC001235990157 1130824286 /nfs/dbraw/zinc/82/42/86/1130824286.db2.gz LLJPTLRYALBZBX-WOJBJXKFSA-N 2 1 292.426 3.585 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H]4CC[C@]4([NH3+])C3)cc2)cc1 ZINC001235995465 1130825110 /nfs/dbraw/zinc/82/51/10/1130825110.db2.gz VYRWCVVVYZONEA-UXHICEINSA-N 2 1 292.426 3.585 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@H]4CC[C@]4([NH3+])C3)cc2)cc1 ZINC001235995465 1130825116 /nfs/dbraw/zinc/82/51/16/1130825116.db2.gz VYRWCVVVYZONEA-UXHICEINSA-N 2 1 292.426 3.585 20 0 CHADMP Cc1c(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cccc1-c1ccccc1 ZINC001235990952 1130825706 /nfs/dbraw/zinc/82/57/06/1130825706.db2.gz NLKVRGQLEHUKSJ-ICSRJNTNSA-N 2 1 292.426 3.585 20 0 CHADMP Cc1c(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cccc1-c1ccccc1 ZINC001235990952 1130825716 /nfs/dbraw/zinc/82/57/16/1130825716.db2.gz NLKVRGQLEHUKSJ-ICSRJNTNSA-N 2 1 292.426 3.585 20 0 CHADMP c1cc2c(cc1C[N@H+]1CCC[C@@H]1C1CCCCC1)CC[NH2+]C2 ZINC001236040406 1130835801 /nfs/dbraw/zinc/83/58/01/1130835801.db2.gz CDSADLUYCNCQBU-HXUWFJFHSA-N 2 1 298.474 3.877 20 0 CHADMP CC[C@H]1c2ccccc2CC[N@@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC001236061476 1130843433 /nfs/dbraw/zinc/84/34/33/1130843433.db2.gz XUHWEDAFSDBGPN-WMZOPIPTSA-N 2 1 272.436 3.528 20 0 CHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001236068219 1130846764 /nfs/dbraw/zinc/84/67/64/1130846764.db2.gz WGGVWKMDVWDKHQ-INIZCTEOSA-N 2 1 298.405 3.534 20 0 CHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC001236068909 1130847513 /nfs/dbraw/zinc/84/75/13/1130847513.db2.gz YQVQBFNOSYNXLX-CQSZACIVSA-N 2 1 294.398 3.627 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC001236130007 1130871597 /nfs/dbraw/zinc/87/15/97/1130871597.db2.gz QGBDGEMHKOFWOO-MRXNPFEDSA-N 2 1 282.378 3.621 20 0 CHADMP C[N@@H+](CCCC[NH3+])Cc1ccc(-c2ccccc2)s1 ZINC001236142229 1130873612 /nfs/dbraw/zinc/87/36/12/1130873612.db2.gz SXLWGOWKVJEEGT-UHFFFAOYSA-N 2 1 274.433 3.586 20 0 CHADMP Cc1ccc(Oc2cccc(C[N@@H+](C)CCCC[NH3+])c2)cc1 ZINC001236141022 1130873842 /nfs/dbraw/zinc/87/38/42/1130873842.db2.gz CYKFOSSWQLNKMK-UHFFFAOYSA-N 2 1 298.430 3.958 20 0 CHADMP CC(C)c1cc(C[N@@H+](C)CCCC[NH3+])ccc1Cl ZINC001236141570 1130874882 /nfs/dbraw/zinc/87/48/82/1130874882.db2.gz JVVBWEKDMWYGJW-UHFFFAOYSA-N 2 1 268.832 3.634 20 0 CHADMP CCC[N@@H+](CCc1ccc(C(C)C)cc1)C1CC[NH2+]CC1 ZINC001236180133 1130879308 /nfs/dbraw/zinc/87/93/08/1130879308.db2.gz BGDMOCMVUURVRW-UHFFFAOYSA-N 2 1 288.479 3.817 20 0 CHADMP CCC[N@@H+](CC[C@@H]1CC=C(C)C1(C)C)C1CC[NH2+]CC1 ZINC001236180433 1130879445 /nfs/dbraw/zinc/87/94/45/1130879445.db2.gz HIJAJKDRRSIQLP-INIZCTEOSA-N 2 1 278.484 3.833 20 0 CHADMP CCC[N@H+](Cc1cc(C)cc(C)c1Cl)C1CC[NH2+]CC1 ZINC001236184339 1130880855 /nfs/dbraw/zinc/88/08/55/1130880855.db2.gz IUUVLAOQLOFLKC-UHFFFAOYSA-N 2 1 294.870 3.921 20 0 CHADMP CCC[N@@H+](Cc1cc(C)cc(C)c1Cl)C1CC[NH2+]CC1 ZINC001236184339 1130880862 /nfs/dbraw/zinc/88/08/62/1130880862.db2.gz IUUVLAOQLOFLKC-UHFFFAOYSA-N 2 1 294.870 3.921 20 0 CHADMP CC[C@@H]([NH3+])C[N@H+](C)[C@H](C)c1cccc2ccccc21 ZINC001236189356 1130881260 /nfs/dbraw/zinc/88/12/60/1130881260.db2.gz LRJLSBCUDYAWJQ-UKRRQHHQSA-N 2 1 256.393 3.570 20 0 CHADMP CC[C@@H]([NH3+])C[N@@H+](C)[C@H](C)c1cccc2ccccc21 ZINC001236189356 1130881263 /nfs/dbraw/zinc/88/12/63/1130881263.db2.gz LRJLSBCUDYAWJQ-UKRRQHHQSA-N 2 1 256.393 3.570 20 0 CHADMP CCC[N@@H+](Cc1ccc(O)c2ccccc12)C1CC[NH2+]CC1 ZINC001236182341 1130881286 /nfs/dbraw/zinc/88/12/86/1130881286.db2.gz LLWLURXVFNXRFC-UHFFFAOYSA-N 2 1 298.430 3.509 20 0 CHADMP c1[nH]c2ccccc2c1[C@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001236191092 1130882968 /nfs/dbraw/zinc/88/29/68/1130882968.db2.gz KEHJJUAWNMXUHN-HNAYVOBHSA-N 2 1 297.446 3.695 20 0 CHADMP Cc1ccc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)c2ccccc12 ZINC001236205617 1130886451 /nfs/dbraw/zinc/88/64/51/1130886451.db2.gz FUDVLCAOJFLFMP-IBGZPJMESA-N 2 1 282.431 3.722 20 0 CHADMP Cc1ccc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)c2ccccc12 ZINC001236205617 1130886459 /nfs/dbraw/zinc/88/64/59/1130886459.db2.gz FUDVLCAOJFLFMP-IBGZPJMESA-N 2 1 282.431 3.722 20 0 CHADMP C[N@H+](Cc1ccccc1-c1ccccc1)[C@]1(C)CCC[NH2+]C1 ZINC001236205826 1130886681 /nfs/dbraw/zinc/88/66/81/1130886681.db2.gz HCDBSGBTGKVJMO-HXUWFJFHSA-N 2 1 294.442 3.928 20 0 CHADMP C[N@@H+](Cc1ccccc1-c1ccccc1)[C@]1(C)CCC[NH2+]C1 ZINC001236205826 1130886684 /nfs/dbraw/zinc/88/66/84/1130886684.db2.gz HCDBSGBTGKVJMO-HXUWFJFHSA-N 2 1 294.442 3.928 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])cc2)o1 ZINC001236215691 1130890389 /nfs/dbraw/zinc/89/03/89/1130890389.db2.gz ICRFLURISMGZJU-ZWKOTPCHSA-N 2 1 298.430 3.957 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])cc2)o1 ZINC001236215691 1130890393 /nfs/dbraw/zinc/89/03/93/1130890393.db2.gz ICRFLURISMGZJU-ZWKOTPCHSA-N 2 1 298.430 3.957 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2C(C)C)CC1 ZINC001236216321 1130892096 /nfs/dbraw/zinc/89/20/96/1130892096.db2.gz YNIMVPJTFOJZJC-UHFFFAOYSA-N 2 1 274.452 3.772 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236218188 1130894259 /nfs/dbraw/zinc/89/42/59/1130894259.db2.gz RNANEDGEKBVAPA-CABCVRRESA-N 2 1 288.460 3.911 20 0 CHADMP CC/C=C\CCCCC[N@@H+](C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236222004 1130896017 /nfs/dbraw/zinc/89/60/17/1130896017.db2.gz JHYWNQWBSAKHJH-YEPZWPJTSA-N 2 1 252.446 3.715 20 0 CHADMP CSc1ccc(Cl)cc1C[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236227321 1130896493 /nfs/dbraw/zinc/89/64/93/1130896493.db2.gz BUFZCVDALQUKPJ-UHFFFAOYSA-N 2 1 298.883 3.636 20 0 CHADMP CSc1ccc(Cl)cc1C[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236227321 1130896496 /nfs/dbraw/zinc/89/64/96/1130896496.db2.gz BUFZCVDALQUKPJ-UHFFFAOYSA-N 2 1 298.883 3.636 20 0 CHADMP CC[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(C)c(C)c1 ZINC001236239172 1130902567 /nfs/dbraw/zinc/90/25/67/1130902567.db2.gz AYLMWRUUAKEWLW-UHFFFAOYSA-N 2 1 274.452 3.515 20 0 CHADMP CC(C)CCC[N@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236270015 1130909560 /nfs/dbraw/zinc/90/95/60/1130909560.db2.gz OXBFUALSJAPNQQ-SFHVURJKSA-N 2 1 274.452 3.677 20 0 CHADMP CC(C)CCC[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236270015 1130909562 /nfs/dbraw/zinc/90/95/62/1130909562.db2.gz OXBFUALSJAPNQQ-SFHVURJKSA-N 2 1 274.452 3.677 20 0 CHADMP CC[N@H+](Cc1ccc(C)c2ccccc12)C[C@H]1CC[NH2+]C1 ZINC001236408007 1130931714 /nfs/dbraw/zinc/93/17/14/1130931714.db2.gz JIZUAIYUVRSVBN-INIZCTEOSA-N 2 1 282.431 3.580 20 0 CHADMP CC(C)(C)C[N@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001236451927 1130945424 /nfs/dbraw/zinc/94/54/24/1130945424.db2.gz ZIEKNHSPWYKXHE-UHFFFAOYSA-N 2 1 294.870 3.940 20 0 CHADMP CC(C)(C)C[N@@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001236451927 1130945427 /nfs/dbraw/zinc/94/54/27/1130945427.db2.gz ZIEKNHSPWYKXHE-UHFFFAOYSA-N 2 1 294.870 3.940 20 0 CHADMP Clc1ccc(C[N@@H+](CCC2CC2)C2CC[NH2+]CC2)cc1 ZINC001236452572 1130945467 /nfs/dbraw/zinc/94/54/67/1130945467.db2.gz GCLWNWQFAINQAN-UHFFFAOYSA-N 2 1 292.854 3.694 20 0 CHADMP CC(C)(C)C[N@@H+](Cc1ccc2[nH]ccc2c1)C1CC[NH2+]CC1 ZINC001236456238 1130946135 /nfs/dbraw/zinc/94/61/35/1130946135.db2.gz AHKILBSXQSKXFD-UHFFFAOYSA-N 2 1 299.462 3.768 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCC2)C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001236542638 1130969312 /nfs/dbraw/zinc/96/93/12/1130969312.db2.gz YUNLSQAGURYAQQ-JKEDJMADSA-N 2 1 288.479 3.571 20 0 CHADMP Cc1cccc(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c1F ZINC001236552187 1130973285 /nfs/dbraw/zinc/97/32/85/1130973285.db2.gz ODADXTLULJDKIE-QAQDUYKDSA-N 2 1 290.426 3.616 20 0 CHADMP Cc1ccc(C[N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1F ZINC001236552808 1130974595 /nfs/dbraw/zinc/97/45/95/1130974595.db2.gz ZYATWVGHIVFBQH-QAQDUYKDSA-N 2 1 292.442 3.862 20 0 CHADMP CCC[C@@H](C)C[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236553177 1130975082 /nfs/dbraw/zinc/97/50/82/1130975082.db2.gz XQCWGNAJIVHXKU-BZUAXINKSA-N 2 1 254.462 3.651 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccc3c2CCC3)C2CCC2)CC1 ZINC001236576271 1130978319 /nfs/dbraw/zinc/97/83/19/1130978319.db2.gz GNLOHFSKAZPYOS-UAPYVXQJSA-N 2 1 298.474 3.800 20 0 CHADMP Cc1cccc(C[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c1C ZINC001236571358 1130979004 /nfs/dbraw/zinc/97/90/04/1130979004.db2.gz CGGUTGUBXULRQS-UAPYVXQJSA-N 2 1 286.463 3.928 20 0 CHADMP CCCC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236681817 1130993055 /nfs/dbraw/zinc/99/30/55/1130993055.db2.gz JQSZXDJHZYJICN-QAQDUYKDSA-N 2 1 260.425 3.559 20 0 CHADMP Cc1ccc(C[N@@H+](Cc2ccoc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236714259 1130997891 /nfs/dbraw/zinc/99/78/91/1130997891.db2.gz LJOFZIMBLPPVSV-WGSAOQKQSA-N 2 1 298.430 3.860 20 0 CHADMP Cc1ccc(C[N@H+](C[C@@H]2C[C@H]2C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236713364 1130998138 /nfs/dbraw/zinc/99/81/38/1130998138.db2.gz APICUQTVFREQHD-QXCFHYIPSA-N 2 1 286.463 3.723 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccoc2)CC2CCCCC2)CC1 ZINC001236755181 1131004313 /nfs/dbraw/zinc/00/43/13/1131004313.db2.gz LJOGMWIVFYMKJA-IYARVYRRSA-N 2 1 290.451 3.932 20 0 CHADMP CCC(CC)[N@@H+](Cc1cccc(N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236790375 1131006944 /nfs/dbraw/zinc/00/69/44/1131006944.db2.gz GTKZNPZVKSLOFQ-RZDIXWSQSA-N 2 1 289.467 3.529 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC001236826927 1131016172 /nfs/dbraw/zinc/01/61/72/1131016172.db2.gz DCJWIGFMMIJUIZ-SZMVWBNQSA-N 2 1 286.463 3.543 20 0 CHADMP CCC[N@H+](Cc1cc2ccccc2s1)C[C@H]1CC[NH2+]C1 ZINC001236835351 1131019113 /nfs/dbraw/zinc/01/91/13/1131019113.db2.gz LUUSPMCBSIXFNG-AWEZNQCLSA-N 2 1 288.460 3.723 20 0 CHADMP CCC[N@H+](Cc1c[nH]c2c1cccc2CC)C[C@H]1CC[NH2+]C1 ZINC001236835571 1131020029 /nfs/dbraw/zinc/02/00/29/1131020029.db2.gz NJIGDPYXUQKKSV-HNNXBMFYSA-N 2 1 299.462 3.552 20 0 CHADMP CCC[N@H+](Cc1ccc(-c2ccccc2)o1)C[C@H]1CC[NH2+]C1 ZINC001236842968 1131021207 /nfs/dbraw/zinc/02/12/07/1131021207.db2.gz IOGASQYVQGXEFT-INIZCTEOSA-N 2 1 298.430 3.768 20 0 CHADMP CC(C)[N@@H+](CC[C@H]1CCCC[NH2+]1)[C@@H](C)c1ccccc1 ZINC001236859286 1131025939 /nfs/dbraw/zinc/02/59/39/1131025939.db2.gz JDCCFICYIKVUQZ-FUHWJXTLSA-N 2 1 274.452 3.990 20 0 CHADMP CCC(CC)[N@@H+](Cc1c[nH+]c(N)[nH]1)[C@H](C)c1ccccc1 ZINC001236860671 1131026215 /nfs/dbraw/zinc/02/62/15/1131026215.db2.gz SHJLTESZPYGIOH-CYBMUJFWSA-N 2 1 286.423 3.744 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC001237080602 1131046777 /nfs/dbraw/zinc/04/67/77/1131046777.db2.gz HAYUJDZPVYBYOC-GOSISDBHSA-N 2 1 284.403 3.507 20 0 CHADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCCc1ccccc1 ZINC001237083724 1131046905 /nfs/dbraw/zinc/04/69/05/1131046905.db2.gz YFCJCZMVCYMMNK-YQQQUEKLSA-N 2 1 286.463 3.601 20 0 CHADMP CC/C=C\CCC[N@@H+]1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237300912 1131080864 /nfs/dbraw/zinc/08/08/64/1131080864.db2.gz QTYPOPJBGCGDGR-ARJAWSKDSA-N 2 1 284.447 3.827 20 0 CHADMP CC/C=C\CCC[N@H+]1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237300912 1131080871 /nfs/dbraw/zinc/08/08/71/1131080871.db2.gz QTYPOPJBGCGDGR-ARJAWSKDSA-N 2 1 284.447 3.827 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c2ccccc12 ZINC001237389108 1131095461 /nfs/dbraw/zinc/09/54/61/1131095461.db2.gz FSMDPPCAMJERQM-PXNSSMCTSA-N 2 1 294.442 3.722 20 0 CHADMP Cc1c(Cl)ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1C ZINC001237416033 1131096096 /nfs/dbraw/zinc/09/60/96/1131096096.db2.gz REULXDPRGZFTTH-NVXWUHKLSA-N 2 1 292.854 3.531 20 0 CHADMP Cc1c(Cl)ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1C ZINC001237416033 1131096101 /nfs/dbraw/zinc/09/61/01/1131096101.db2.gz REULXDPRGZFTTH-NVXWUHKLSA-N 2 1 292.854 3.531 20 0 CHADMP Fc1cccc2c(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)cccc12 ZINC001237409946 1131096237 /nfs/dbraw/zinc/09/62/37/1131096237.db2.gz CFNYNTVCCWFRBN-KXBFYZLASA-N 2 1 298.405 3.553 20 0 CHADMP Cc1ccccc1C1CC([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001116544202 1131154750 /nfs/dbraw/zinc/15/47/50/1131154750.db2.gz JWXSXKHUZAAVBG-VHZYLWGESA-N 2 1 286.463 3.703 20 0 CHADMP CC(C)c1cc(C[N@@H+](C)C2CCN(C)CC2)ccc1Cl ZINC001238216823 1131182035 /nfs/dbraw/zinc/18/20/35/1131182035.db2.gz GAIKDAAJZYCBJT-UHFFFAOYSA-N 2 1 294.870 3.989 20 0 CHADMP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c2ccccc12 ZINC001138017148 1131452261 /nfs/dbraw/zinc/45/22/61/1131452261.db2.gz ZKEMUMFBHYZQPR-UHFFFAOYSA-N 2 1 296.458 3.922 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1sc2ccccc2c1C ZINC001138463683 1131509648 /nfs/dbraw/zinc/50/96/48/1131509648.db2.gz KVZDWQVIIPQVJA-UHFFFAOYSA-N 2 1 290.476 3.983 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)cc1 ZINC001138543960 1131518937 /nfs/dbraw/zinc/51/89/37/1131518937.db2.gz AGDNPGVYYDMMKM-ZWKOTPCHSA-N 2 1 295.430 3.803 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)cc1 ZINC001138543960 1131518938 /nfs/dbraw/zinc/51/89/38/1131518938.db2.gz AGDNPGVYYDMMKM-ZWKOTPCHSA-N 2 1 295.430 3.803 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@H](F)CC2)cc1 ZINC001138544655 1131519171 /nfs/dbraw/zinc/51/91/71/1131519171.db2.gz MCNVSXJOERHJJY-MRXNPFEDSA-N 2 1 287.382 3.505 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@H](F)CC2)cc1 ZINC001138544655 1131519174 /nfs/dbraw/zinc/51/91/74/1131519174.db2.gz MCNVSXJOERHJJY-MRXNPFEDSA-N 2 1 287.382 3.505 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(C)(F)CC2)cc1 ZINC001138543924 1131519187 /nfs/dbraw/zinc/51/91/87/1131519187.db2.gz ZZNWTYQUJUGQOY-UHFFFAOYSA-N 2 1 287.382 3.505 20 0 CHADMP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246551989 1131609009 /nfs/dbraw/zinc/60/90/09/1131609009.db2.gz NAUXRVVBSCGEGK-WBMJQRKESA-N 2 1 298.833 3.613 20 0 CHADMP CCCC[C@H](CC(C)C)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246556402 1131617318 /nfs/dbraw/zinc/61/73/18/1131617318.db2.gz ZGRIDEUFDZIMOQ-HZPDHXFCSA-N 2 1 254.462 3.795 20 0 CHADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246556594 1131618672 /nfs/dbraw/zinc/61/86/72/1131618672.db2.gz JRBAMKIHWTXMPW-MJBXVCDLSA-N 2 1 276.415 3.507 20 0 CHADMP CCc1cccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC001144326682 1131618722 /nfs/dbraw/zinc/61/87/22/1131618722.db2.gz MLKHSLYFEXBFAQ-UHFFFAOYSA-N 2 1 286.463 3.699 20 0 CHADMP CCCCC[C@H](CCC)[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001246564305 1131628626 /nfs/dbraw/zinc/62/86/26/1131628626.db2.gz MNHZRLPECFKWPV-OAGGEKHMSA-N 2 1 254.462 3.795 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246572640 1131651267 /nfs/dbraw/zinc/65/12/67/1131651267.db2.gz ARFVCNSVHBFBOZ-JYJNAYRXSA-N 2 1 272.452 3.744 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246572640 1131651271 /nfs/dbraw/zinc/65/12/71/1131651271.db2.gz ARFVCNSVHBFBOZ-JYJNAYRXSA-N 2 1 272.452 3.744 20 0 CHADMP CC(C)CC(CC(C)C)[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246577881 1131668757 /nfs/dbraw/zinc/66/87/57/1131668757.db2.gz QPMHFPDZLKHBMJ-KRWDZBQOSA-N 2 1 268.489 3.898 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@H+](C2CCC(C(F)(F)F)CC2)CC1 ZINC001246578547 1131671548 /nfs/dbraw/zinc/67/15/48/1131671548.db2.gz RVGAQDPMZNQMCO-RUXDESIVSA-N 2 1 292.389 3.558 20 0 CHADMP Cc1cccc([C@@H]2CCC[N@H+]2CCCCCC[NH3+])c1 ZINC000846218752 1131700719 /nfs/dbraw/zinc/70/07/19/1131700719.db2.gz TYCSZGVQQJHCII-KRWDZBQOSA-N 2 1 260.425 3.651 20 0 CHADMP C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCCCCC[NH3+])C1 ZINC000846219575 1131702099 /nfs/dbraw/zinc/70/20/99/1131702099.db2.gz SMYWKDFAZDEHLQ-RHSMWYFYSA-N 2 1 278.415 3.728 20 0 CHADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]CCC[N@H+](C)CC(C)C ZINC001203031983 1131711939 /nfs/dbraw/zinc/71/19/39/1131711939.db2.gz MOHQSKVRIKJTAB-IRXDYDNUSA-N 2 1 266.473 3.546 20 0 CHADMP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCC[N@H+](C)CC(C)C ZINC001203031982 1131711998 /nfs/dbraw/zinc/71/19/98/1131711998.db2.gz MOHQSKVRIKJTAB-IAGOWNOFSA-N 2 1 266.473 3.546 20 0 CHADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001203032541 1131713119 /nfs/dbraw/zinc/71/31/19/1131713119.db2.gz QINFEDVNVYBZKO-UHFFFAOYSA-N 2 1 286.822 3.547 20 0 CHADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001203032541 1131713123 /nfs/dbraw/zinc/71/31/23/1131713123.db2.gz QINFEDVNVYBZKO-UHFFFAOYSA-N 2 1 286.822 3.547 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001246602847 1131714889 /nfs/dbraw/zinc/71/48/89/1131714889.db2.gz JTCKKYDZQXYUJT-YESZJQIVSA-N 2 1 266.473 3.523 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001246624629 1131722600 /nfs/dbraw/zinc/72/26/00/1131722600.db2.gz VNVILLJLSDRATR-YESZJQIVSA-N 2 1 266.473 3.665 20 0 CHADMP CCOc1cccc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000834911508 1131732335 /nfs/dbraw/zinc/73/23/35/1131732335.db2.gz ZJJAMFTVEUPFJC-OAHLLOKOSA-N 2 1 290.451 3.610 20 0 CHADMP CC1(C)CCC[C@H]([N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)C1 ZINC001246633680 1131739366 /nfs/dbraw/zinc/73/93/66/1131739366.db2.gz LSDGUQHQLVLHLS-DOTOQJQBSA-N 2 1 264.457 3.563 20 0 CHADMP CC1(C)CCC[C@H]([N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)C1 ZINC001246633680 1131739369 /nfs/dbraw/zinc/73/93/69/1131739369.db2.gz LSDGUQHQLVLHLS-DOTOQJQBSA-N 2 1 264.457 3.563 20 0 CHADMP CCCCC(CCCC)[N@@H+](CC)C1CC[NH2+]CC1 ZINC001246794690 1131783264 /nfs/dbraw/zinc/78/32/64/1131783264.db2.gz AJBIHPOOGOFXJA-UHFFFAOYSA-N 2 1 254.462 3.809 20 0 CHADMP CC[C@@H]1C[C@H]([N@@H+](C)[C@H](C)c2ccc(Cl)cc2)CC[NH2+]1 ZINC001246850997 1131788934 /nfs/dbraw/zinc/78/89/34/1131788934.db2.gz XMGLSGINTPKIGR-DAXOMENPSA-N 2 1 280.843 3.863 20 0 CHADMP C[N@@H+](CC1CCCCC1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246847276 1131789625 /nfs/dbraw/zinc/78/96/25/1131789625.db2.gz RTQHYWRZLVJFLT-CVEARBPZSA-N 2 1 266.473 3.665 20 0 CHADMP CC[C@@H]1C[C@@H]([N@H+]2CCCC3(CCC3)C2)C[C@H](CC)[NH2+]1 ZINC001246938703 1131821890 /nfs/dbraw/zinc/82/18/90/1131821890.db2.gz FVWSENCFPNHMED-MUJYYYPQSA-N 2 1 264.457 3.562 20 0 CHADMP CCCC[C@@H](CC(C)C)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246942981 1131826035 /nfs/dbraw/zinc/82/60/35/1131826035.db2.gz SDKSCFSBRVSNIL-BBWFWOEESA-N 2 1 266.473 3.523 20 0 CHADMP CCCCCC[C@H](CCC)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001246978984 1131832423 /nfs/dbraw/zinc/83/24/23/1131832423.db2.gz XXZMBMGPTKABDQ-QAETUUGQSA-N 2 1 266.473 3.795 20 0 CHADMP C1CCC2(C1)CCC([N@@H+]1CC[C@@H]3[NH2+]CCC[C@@H]3C1)CC2 ZINC001247016803 1131841294 /nfs/dbraw/zinc/84/12/94/1131841294.db2.gz XXQHHQWWFRNTQT-WBVHZDCISA-N 2 1 276.468 3.563 20 0 CHADMP C1CCC2(C1)CCC([N@H+]1CC[C@@H]3[NH2+]CCC[C@@H]3C1)CC2 ZINC001247016803 1131841301 /nfs/dbraw/zinc/84/13/01/1131841301.db2.gz XXQHHQWWFRNTQT-WBVHZDCISA-N 2 1 276.468 3.563 20 0 CHADMP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC000036968096 1131982266 /nfs/dbraw/zinc/98/22/66/1131982266.db2.gz MAMULAUWASPGRH-HQSKLWIPSA-N 2 1 290.426 3.738 20 0 CHADMP Cc1ccc(C[N@H+](CCn2ccnc2)CC(C)C)c(C)c1 ZINC001171446106 1132020419 /nfs/dbraw/zinc/02/04/19/1132020419.db2.gz GFJMMXNPHQGMOF-UHFFFAOYSA-N 2 1 285.435 3.658 20 0 CHADMP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)ccc1Cl ZINC001141236222 1132055056 /nfs/dbraw/zinc/05/50/56/1132055056.db2.gz OGKCXCLRUQOGAB-UHFFFAOYSA-N 2 1 292.854 3.566 20 0 CHADMP CC[NH+]1CCC([N@H+](C)[C@@H](C)CCc2ccc(C)cc2)CC1 ZINC001171679223 1132075521 /nfs/dbraw/zinc/07/55/21/1132075521.db2.gz JIALIJIUMIBJJC-KRWDZBQOSA-N 2 1 288.479 3.732 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)[C@@H](C)CCc2ccc(C)cc2)CC1 ZINC001171679223 1132075529 /nfs/dbraw/zinc/07/55/29/1132075529.db2.gz JIALIJIUMIBJJC-KRWDZBQOSA-N 2 1 288.479 3.732 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](Oc2cccc([C@H](C)[NH+](C)C)c2)C1 ZINC001229621140 1132096889 /nfs/dbraw/zinc/09/68/89/1132096889.db2.gz FDQRSWWBKVFDHX-YJBOKZPZSA-N 2 1 290.451 3.561 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](Oc2cccc([C@H](C)[NH+](C)C)c2)C1 ZINC001229621136 1132097021 /nfs/dbraw/zinc/09/70/21/1132097021.db2.gz FDQRSWWBKVFDHX-MAUKXSAKSA-N 2 1 290.451 3.561 20 0 CHADMP C[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171966239 1132112224 /nfs/dbraw/zinc/11/22/24/1132112224.db2.gz UIIKBRNGINFUHC-NJAFHUGGSA-N 2 1 286.463 3.675 20 0 CHADMP CC1(C)C[C@@H]([NH2+][C@H]2C[C@@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001171971730 1132117615 /nfs/dbraw/zinc/11/76/15/1132117615.db2.gz JRYDTSVAQDNKQL-YESZJQIVSA-N 2 1 290.426 3.520 20 0 CHADMP CC1(C)C[C@H]([NH2+][C@H]2C[C@H]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001171975349 1132117951 /nfs/dbraw/zinc/11/79/51/1132117951.db2.gz CDXBTJXOKVLTLV-QYZOEREBSA-N 2 1 298.474 3.818 20 0 CHADMP CC(C)(C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172064937 1132124772 /nfs/dbraw/zinc/12/47/72/1132124772.db2.gz JATBBCZKXDBJGQ-NNZMDNLPSA-N 2 1 286.463 3.960 20 0 CHADMP CC(C)(C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172064937 1132124774 /nfs/dbraw/zinc/12/47/74/1132124774.db2.gz JATBBCZKXDBJGQ-NNZMDNLPSA-N 2 1 286.463 3.960 20 0 CHADMP C[C@@H]([NH3+])c1ccc2c(ccn2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172100962 1132124901 /nfs/dbraw/zinc/12/49/01/1132124901.db2.gz VDJQXJGWCGDXLW-ZSGPHXLJSA-N 2 1 297.446 3.849 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@H]3CCCC[C@@H]3C1)C2 ZINC001172131038 1132127348 /nfs/dbraw/zinc/12/73/48/1132127348.db2.gz UCVHNSNFTYFCNE-HSFUPAIVSA-N 2 1 276.468 3.514 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@H]3CCCC[C@@H]3C1)C2 ZINC001172131038 1132127345 /nfs/dbraw/zinc/12/73/45/1132127345.db2.gz UCVHNSNFTYFCNE-HSFUPAIVSA-N 2 1 276.468 3.514 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@H]3CCCC[C@@H]3C1)C2 ZINC001172131038 1132127349 /nfs/dbraw/zinc/12/73/49/1132127349.db2.gz UCVHNSNFTYFCNE-HSFUPAIVSA-N 2 1 276.468 3.514 20 0 CHADMP CC[N@H+](Cc1ccc(F)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128590 1132128092 /nfs/dbraw/zinc/12/80/92/1132128092.db2.gz SOACLEDMOCQTPI-BCDXTJNWSA-N 2 1 290.426 3.663 20 0 CHADMP CC[N@@H+](Cc1ccc(F)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128590 1132128099 /nfs/dbraw/zinc/12/80/99/1132128099.db2.gz SOACLEDMOCQTPI-BCDXTJNWSA-N 2 1 290.426 3.663 20 0 CHADMP CC[NH+](Cc1ccc(F)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128590 1132128102 /nfs/dbraw/zinc/12/81/02/1132128102.db2.gz SOACLEDMOCQTPI-BCDXTJNWSA-N 2 1 290.426 3.663 20 0 CHADMP CC[NH+](Cc1ccc(F)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128590 1132128105 /nfs/dbraw/zinc/12/81/05/1132128105.db2.gz SOACLEDMOCQTPI-BCDXTJNWSA-N 2 1 290.426 3.663 20 0 CHADMP C[N@H+](CC1CCCCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129157 1132128126 /nfs/dbraw/zinc/12/81/26/1132128126.db2.gz XEYHBMRISAWOGJ-FVQHAEBGSA-N 2 1 264.457 3.514 20 0 CHADMP C[N@@H+](CC1CCCCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129157 1132128130 /nfs/dbraw/zinc/12/81/30/1132128130.db2.gz XEYHBMRISAWOGJ-FVQHAEBGSA-N 2 1 264.457 3.514 20 0 CHADMP C[NH+](CC1CCCCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172129157 1132128134 /nfs/dbraw/zinc/12/81/34/1132128134.db2.gz XEYHBMRISAWOGJ-FVQHAEBGSA-N 2 1 264.457 3.514 20 0 CHADMP C[NH+](CC1CCCCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172129157 1132128137 /nfs/dbraw/zinc/12/81/37/1132128137.db2.gz XEYHBMRISAWOGJ-FVQHAEBGSA-N 2 1 264.457 3.514 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCC1CCCCCC1)C2 ZINC001172107446 1132128873 /nfs/dbraw/zinc/12/88/73/1132128873.db2.gz XRWHHBSDFSHBNQ-NNZMDNLPSA-N 2 1 278.484 3.952 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@@H]3CCCC[C@H]13)C2 ZINC001172105393 1132129678 /nfs/dbraw/zinc/12/96/78/1132129678.db2.gz IAHUSQCQCDGAKR-UIFYRBHJSA-N 2 1 290.495 3.950 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@@H]3CCCC[C@H]13)C2 ZINC001172105393 1132129682 /nfs/dbraw/zinc/12/96/82/1132129682.db2.gz IAHUSQCQCDGAKR-UIFYRBHJSA-N 2 1 290.495 3.950 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(C)CCC(F)(F)CC1)C2 ZINC001172109091 1132130197 /nfs/dbraw/zinc/13/01/97/1132130197.db2.gz CCOKDLOIYYGBQX-BTTYYORXSA-N 2 1 286.410 3.559 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(C)CCC(F)(F)CC1)C2 ZINC001172109091 1132130210 /nfs/dbraw/zinc/13/02/10/1132130210.db2.gz CCOKDLOIYYGBQX-BTTYYORXSA-N 2 1 286.410 3.559 20 0 CHADMP CCCC(CCC)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172108205 1132130282 /nfs/dbraw/zinc/13/02/82/1132130282.db2.gz SAZVXHNYLUYPFT-MUJYYYPQSA-N 2 1 252.446 3.560 20 0 CHADMP CCCC(CCC)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172108205 1132130287 /nfs/dbraw/zinc/13/02/87/1132130287.db2.gz SAZVXHNYLUYPFT-MUJYYYPQSA-N 2 1 252.446 3.560 20 0 CHADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(F)c1 ZINC001172107587 1132130635 /nfs/dbraw/zinc/13/06/35/1132130635.db2.gz FPFSCUJUAXIAIS-FJIDUMEYSA-N 2 1 290.426 3.882 20 0 CHADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC001172107587 1132130641 /nfs/dbraw/zinc/13/06/41/1132130641.db2.gz FPFSCUJUAXIAIS-FJIDUMEYSA-N 2 1 290.426 3.882 20 0 CHADMP Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172111523 1132134525 /nfs/dbraw/zinc/13/45/25/1132134525.db2.gz RYLZSDDOPAZQCX-OQIJWPOYSA-N 2 1 286.463 3.969 20 0 CHADMP Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172111523 1132134527 /nfs/dbraw/zinc/13/45/27/1132134527.db2.gz RYLZSDDOPAZQCX-OQIJWPOYSA-N 2 1 286.463 3.969 20 0 CHADMP CC[C@H](C)OCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001172341381 1132177784 /nfs/dbraw/zinc/17/77/84/1132177784.db2.gz ZFWHDEOXZYFMRF-IXDOHACOSA-N 2 1 296.499 3.577 20 0 CHADMP CC[C@H](C)OCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001172341381 1132177787 /nfs/dbraw/zinc/17/77/87/1132177787.db2.gz ZFWHDEOXZYFMRF-IXDOHACOSA-N 2 1 296.499 3.577 20 0 CHADMP CC[C@@H](C)OCC[C@@H](C)[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001172342987 1132178338 /nfs/dbraw/zinc/17/83/38/1132178338.db2.gz PGGAMKRRBQFQHQ-IAGOWNOFSA-N 2 1 298.515 3.632 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H](C)CCO[C@H](C)CC)CC1 ZINC001172358973 1132186997 /nfs/dbraw/zinc/18/69/97/1132186997.db2.gz HKFCUSVVDPPQKP-DLBZAZTESA-N 2 1 298.515 3.776 20 0 CHADMP CC[C@H](CC(C)C)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001172384189 1132209707 /nfs/dbraw/zinc/20/97/07/1132209707.db2.gz FEQZJFGUMZADGP-OAHLLOKOSA-N 2 1 254.462 3.795 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172538017 1132276078 /nfs/dbraw/zinc/27/60/78/1132276078.db2.gz LFERNYOUGMEPKN-BHIYHBOVSA-N 2 1 286.463 3.644 20 0 CHADMP c1ccc([C@@H]2CCC[C@H]([NH+]3CCC([NH+]4CCC4)CC3)C2)cc1 ZINC001172548703 1132282638 /nfs/dbraw/zinc/28/26/38/1132282638.db2.gz JHDGSACRPNRVHP-QUCCMNQESA-N 2 1 298.474 3.883 20 0 CHADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC001172724925 1132298855 /nfs/dbraw/zinc/29/88/55/1132298855.db2.gz DMIARMPGGFYVPH-IRXDYDNUSA-N 2 1 278.484 3.952 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000841029970 1132321964 /nfs/dbraw/zinc/32/19/64/1132321964.db2.gz HVBYXHQUERVFDK-LBPRGKRZSA-N 2 1 288.407 3.608 20 0 CHADMP CC[NH+](CC)C1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001173109629 1132392262 /nfs/dbraw/zinc/39/22/62/1132392262.db2.gz IRKOIACSYZHQOF-UHFFFAOYSA-N 2 1 292.442 3.911 20 0 CHADMP CC[C@H]1CCC[N@H+]1C1CCC([NH+](CC)CC)CC1 ZINC001173114356 1132393413 /nfs/dbraw/zinc/39/34/13/1132393413.db2.gz HWNHFLDLMPRBNT-FHERZECASA-N 2 1 252.446 3.514 20 0 CHADMP CC[C@@H]1CCC[N@H+]1C1CCC([NH+](CC)CC)CC1 ZINC001173113078 1132394093 /nfs/dbraw/zinc/39/40/93/1132394093.db2.gz HWNHFLDLMPRBNT-QQFBHYJXSA-N 2 1 252.446 3.514 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@](C)(F)CC2)CC1 ZINC001173110856 1132394595 /nfs/dbraw/zinc/39/45/95/1132394595.db2.gz ZGTCRIBYBQEVTB-JCYILVPMSA-N 2 1 284.463 3.854 20 0 CHADMP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1cccc(Cl)c1 ZINC001232014048 1132410959 /nfs/dbraw/zinc/41/09/59/1132410959.db2.gz GIVIOWYACXCOGF-UHFFFAOYSA-N 2 1 285.778 3.848 20 0 CHADMP C[N@@H+](CCc1cccc(Cl)c1)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014262 1132410975 /nfs/dbraw/zinc/41/09/75/1132410975.db2.gz MMWQZMTXPCNQNX-UHFFFAOYSA-N 2 1 299.805 3.891 20 0 CHADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CCC2(C1)CCCCC2 ZINC001232018440 1132412772 /nfs/dbraw/zinc/41/27/72/1132412772.db2.gz LFIBBHDCIXHOTQ-UHFFFAOYSA-N 2 1 269.392 3.719 20 0 CHADMP CCc1ccc(C[C@@H](C)[NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)cc1 ZINC001173235054 1132414054 /nfs/dbraw/zinc/41/40/54/1132414054.db2.gz HQJKXQMSZPLJDA-MNEFBYGVSA-N 2 1 288.479 3.642 20 0 CHADMP CCc1ccc(C[C@H](C)n2c[nH+]cc2C2CC[NH2+]CC2)cc1 ZINC001173249146 1132420303 /nfs/dbraw/zinc/42/03/03/1132420303.db2.gz XZSJVGVFATWOIA-HNNXBMFYSA-N 2 1 297.446 3.716 20 0 CHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232144205 1132427002 /nfs/dbraw/zinc/42/70/02/1132427002.db2.gz KGBIVJCTXTVSHY-OKILXGFUSA-N 2 1 278.415 3.650 20 0 CHADMP CC[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232146668 1132428699 /nfs/dbraw/zinc/42/86/99/1132428699.db2.gz XROZRVAECPQCEB-CQSZACIVSA-N 2 1 278.415 3.509 20 0 CHADMP CC[C@@H]1CC[C@@H]([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173271547 1132436215 /nfs/dbraw/zinc/43/62/15/1132436215.db2.gz QVUVMDLWCCDNMK-QBPKDAKJSA-N 2 1 266.473 3.793 20 0 CHADMP CC[C@@H]1CC[C@@H]([N@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])C1 ZINC001173272852 1132437352 /nfs/dbraw/zinc/43/73/52/1132437352.db2.gz LNLCIFRWRUKATM-LZLYRXPVSA-N 2 1 274.452 3.662 20 0 CHADMP CCSC[C@H](C)[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173293647 1132442534 /nfs/dbraw/zinc/44/25/34/1132442534.db2.gz BUGZYBBMRPWWTB-KKUMJFAQSA-N 2 1 286.529 3.746 20 0 CHADMP CC[C@@H]1CC[C@@H]([N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)C1 ZINC001173296678 1132444015 /nfs/dbraw/zinc/44/40/15/1132444015.db2.gz VPWFVTBBTNHOJJ-VSZNYVQBSA-N 2 1 278.484 3.904 20 0 CHADMP CC[C@@H]1CC[C@@H]([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)C1 ZINC001173296678 1132444021 /nfs/dbraw/zinc/44/40/21/1132444021.db2.gz VPWFVTBBTNHOJJ-VSZNYVQBSA-N 2 1 278.484 3.904 20 0 CHADMP CC[C@@H]1CC[C@@H]([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)C1 ZINC001173296678 1132444023 /nfs/dbraw/zinc/44/40/23/1132444023.db2.gz VPWFVTBBTNHOJJ-VSZNYVQBSA-N 2 1 278.484 3.904 20 0 CHADMP CC[C@H]1CC[C@@H]([NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)C1 ZINC001173276536 1132451843 /nfs/dbraw/zinc/45/18/43/1132451843.db2.gz IRLDXYIZCBIUIP-JKSUJKDBSA-N 2 1 287.451 3.508 20 0 CHADMP CC[C@@H]1CC[C@@H]([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)C1 ZINC001173281579 1132453099 /nfs/dbraw/zinc/45/30/99/1132453099.db2.gz TZSHTKADVBBTJQ-KZNAEPCWSA-N 2 1 278.484 3.906 20 0 CHADMP CC[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001173285083 1132456213 /nfs/dbraw/zinc/45/62/13/1132456213.db2.gz UUSHSNHEJZHRJO-LMCOJAPRSA-N 2 1 298.474 3.629 20 0 CHADMP CC[C@@H]1CC[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001173285083 1132456219 /nfs/dbraw/zinc/45/62/19/1132456219.db2.gz UUSHSNHEJZHRJO-LMCOJAPRSA-N 2 1 298.474 3.629 20 0 CHADMP CC[C@@H]1CC[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001173285083 1132456221 /nfs/dbraw/zinc/45/62/21/1132456221.db2.gz UUSHSNHEJZHRJO-LMCOJAPRSA-N 2 1 298.474 3.629 20 0 CHADMP C[N@@H+]([C@H]1CC[C@](C)(c2ccccc2)C1)C1CCC([NH3+])CC1 ZINC000843054913 1132494289 /nfs/dbraw/zinc/49/42/89/1132494289.db2.gz NIMILPUYGMIKRZ-BTRQGYIVSA-N 2 1 286.463 3.699 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206632423 1132547267 /nfs/dbraw/zinc/54/72/67/1132547267.db2.gz KOXCCIPXSZJHGO-AWEZNQCLSA-N 2 1 288.460 3.771 20 0 CHADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC001206632696 1132550655 /nfs/dbraw/zinc/55/06/55/1132550655.db2.gz NZDGMYNHYUNANJ-GOSISDBHSA-N 2 1 294.442 3.914 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1ccc(Cl)o1 ZINC001233317140 1132598846 /nfs/dbraw/zinc/59/88/46/1132598846.db2.gz YICBBWYRFNGCLP-KBPBESRZSA-N 2 1 296.842 3.772 20 0 CHADMP Cc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(C)c1Cl ZINC001206649817 1132601866 /nfs/dbraw/zinc/60/18/66/1132601866.db2.gz ZLMLDTWANHMUFG-CQSZACIVSA-N 2 1 280.843 3.518 20 0 CHADMP c1cc(Nc2ccc([NH+]3CCCCCC3)cc2)cc[nH+]1 ZINC001173883160 1132623979 /nfs/dbraw/zinc/62/39/79/1132623979.db2.gz AQBQGKCVIBQYQL-UHFFFAOYSA-N 2 1 267.376 3.628 20 0 CHADMP Cc1ccc2c(C)cc(N[C@@H]3CCC[C@@H]([NH3+])C3)[nH+]c2c1C ZINC001154988119 1132635468 /nfs/dbraw/zinc/63/54/68/1132635468.db2.gz OJFVXMUECPYTLE-HUUCEWRRSA-N 2 1 283.419 3.842 20 0 CHADMP C(=CC1CC[NH2+]CC1)Nc1ccc([NH+]2CCCCCC2)cc1 ZINC001159542234 1132860429 /nfs/dbraw/zinc/86/04/29/1132860429.db2.gz NKWBKRYGUXZNLE-SDNWHVSQSA-N 2 1 299.462 3.992 20 0 CHADMP CCOc1ccnc(N[C@@H](C)c2cnc3c(C)cccn23)c1 ZINC001160684135 1132978470 /nfs/dbraw/zinc/97/84/70/1132978470.db2.gz WQXLSNZLLTUZCF-ZDUSSCGKSA-N 2 1 296.374 3.610 20 0 CHADMP Cc1cc([NH+]2CCCCC2)ccc1NCCCC[NH+](C)C ZINC001161736030 1133022077 /nfs/dbraw/zinc/02/20/77/1133022077.db2.gz KIGJZPZKGDHJEX-UHFFFAOYSA-N 2 1 289.467 3.739 20 0 CHADMP CCCC(C[NH3+])(CCC)[NH2+]C(C)(C)c1ccnc(Cl)c1 ZINC001163040787 1133127724 /nfs/dbraw/zinc/12/77/24/1133127724.db2.gz RHIFVLIPBQOBCN-UHFFFAOYSA-N 2 1 297.874 3.857 20 0 CHADMP CC(C)c1ccc(NC2CCC(C[NH+](C)C)CC2)[nH+]c1 ZINC001163298545 1133140850 /nfs/dbraw/zinc/14/08/50/1133140850.db2.gz GCQKIPJJMPEWPT-UHFFFAOYSA-N 2 1 275.440 3.737 20 0 CHADMP Cc1cc[nH+]c(NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)c1 ZINC001163314543 1133141695 /nfs/dbraw/zinc/14/16/95/1133141695.db2.gz VXPADGPUEVSLNH-MRXNPFEDSA-N 2 1 285.435 3.623 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CCC2CC=CC2)CC[N@@H+]1Cc1ccccc1 ZINC001203639673 1133345832 /nfs/dbraw/zinc/34/58/32/1133345832.db2.gz PFNKZSDPVBNCFN-PXNSSMCTSA-N 2 1 298.474 3.985 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CCC2CC=CC2)CC[N@H+]1Cc1ccccc1 ZINC001203639673 1133345839 /nfs/dbraw/zinc/34/58/39/1133345839.db2.gz PFNKZSDPVBNCFN-PXNSSMCTSA-N 2 1 298.474 3.985 20 0 CHADMP Cc1ccccc1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001203706798 1133356346 /nfs/dbraw/zinc/35/63/46/1133356346.db2.gz PRKYYPPTVJTULR-IBGZPJMESA-N 2 1 286.463 3.835 20 0 CHADMP Cc1cc(C)c(C[NH+]2CCC([N@H+](C)C3CC3)CC2)c(C)c1 ZINC001203746018 1133364330 /nfs/dbraw/zinc/36/43/30/1133364330.db2.gz KHCSPWZEICHFNF-UHFFFAOYSA-N 2 1 286.463 3.670 20 0 CHADMP Cc1cc(C)c(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)c(C)c1 ZINC001203746018 1133364334 /nfs/dbraw/zinc/36/43/34/1133364334.db2.gz KHCSPWZEICHFNF-UHFFFAOYSA-N 2 1 286.463 3.670 20 0 CHADMP CC[N@H+](C)C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001203989143 1133394899 /nfs/dbraw/zinc/39/48/99/1133394899.db2.gz VWDZZFJUYJSHIB-UHFFFAOYSA-N 2 1 282.431 3.756 20 0 CHADMP CC[N@@H+](C)C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001203989143 1133394906 /nfs/dbraw/zinc/39/49/06/1133394906.db2.gz VWDZZFJUYJSHIB-UHFFFAOYSA-N 2 1 282.431 3.756 20 0 CHADMP CC[N@@H+](CCn1ccnc1)Cc1cccc2ccccc21 ZINC001203988472 1133395351 /nfs/dbraw/zinc/39/53/51/1133395351.db2.gz JVJOMPKWUKPIGL-UHFFFAOYSA-N 2 1 279.387 3.558 20 0 CHADMP C[C@H](CC1CCCCC1)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC001204441321 1133447040 /nfs/dbraw/zinc/44/70/40/1133447040.db2.gz JOTPOHBTOFLTEQ-SJLPKXTDSA-N 2 1 280.500 3.867 20 0 CHADMP C[C@H](CC1CCCCC1)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC001204441321 1133447043 /nfs/dbraw/zinc/44/70/43/1133447043.db2.gz JOTPOHBTOFLTEQ-SJLPKXTDSA-N 2 1 280.500 3.867 20 0 CHADMP C[C@H](CC1CCCCC1)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC001204441321 1133447047 /nfs/dbraw/zinc/44/70/47/1133447047.db2.gz JOTPOHBTOFLTEQ-SJLPKXTDSA-N 2 1 280.500 3.867 20 0 CHADMP Cc1cccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1Cl ZINC001204741944 1133480509 /nfs/dbraw/zinc/48/05/09/1133480509.db2.gz GLJRBNUVIKVDOI-UHFFFAOYSA-N 2 1 292.854 3.614 20 0 CHADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1Cl ZINC001204742187 1133480558 /nfs/dbraw/zinc/48/05/58/1133480558.db2.gz JVGMKISKFYGLBO-UHFFFAOYSA-N 2 1 292.854 3.614 20 0 CHADMP CCCCCCc1csc(C[N@@H+]2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)c1 ZINC001204919280 1133499945 /nfs/dbraw/zinc/49/99/45/1133499945.db2.gz XHKSULVCUFCUBH-OSYLJGHBSA-N 2 1 292.492 3.507 20 0 CHADMP Cc1c(C[N@@H+]2CCC[C@](C)([NH3+])C2)cccc1-c1ccccc1 ZINC001204946265 1133505747 /nfs/dbraw/zinc/50/57/47/1133505747.db2.gz MQJBBLTZSDUPML-FQEVSTJZSA-N 2 1 294.442 3.975 20 0 CHADMP Cc1c(C[N@H+]2CCC[C@](C)([NH3+])C2)cccc1-c1ccccc1 ZINC001204946265 1133505749 /nfs/dbraw/zinc/50/57/49/1133505749.db2.gz MQJBBLTZSDUPML-FQEVSTJZSA-N 2 1 294.442 3.975 20 0 CHADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)CC1 ZINC001205103112 1133530205 /nfs/dbraw/zinc/53/02/05/1133530205.db2.gz ZJFRVHWOITZYJD-IBGZPJMESA-N 2 1 298.405 3.806 20 0 CHADMP Cc1csc2sc(C[N@H+]3CCC[C@H]([NH3+])CC3)c(C)c12 ZINC001205117160 1133532247 /nfs/dbraw/zinc/53/22/47/1133532247.db2.gz MDBLBERPWVSAEQ-LBPRGKRZSA-N 2 1 294.489 3.893 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccc3oc4ccccc4c3c2)C[C@H]1C[NH3+] ZINC001205141073 1133536429 /nfs/dbraw/zinc/53/64/29/1133536429.db2.gz VCGVHZUYAJCXQB-DZGCQCFKSA-N 2 1 294.398 3.613 20 0 CHADMP [NH3+]Cc1cccc(C[N@H+]2CCCC[C@@H]2c2ccccc2)c1 ZINC001205170845 1133541059 /nfs/dbraw/zinc/54/10/59/1133541059.db2.gz GGDPPJXIMHAZHI-LJQANCHMSA-N 2 1 280.415 3.873 20 0 CHADMP C[C@@H](CC[N@H+]1CCC[C@@](C)([NH3+])CC1)CC(C)(C)C ZINC001205255832 1133550182 /nfs/dbraw/zinc/55/01/82/1133550182.db2.gz LPOWPIIFRUDKDT-GOEBONIOSA-N 2 1 254.462 3.652 20 0 CHADMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001205264327 1133551725 /nfs/dbraw/zinc/55/17/25/1133551725.db2.gz KNPCEEOGUJUVNQ-GOSISDBHSA-N 2 1 274.452 3.687 20 0 CHADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc2oc3ccccc3c2c1 ZINC001205324397 1133561715 /nfs/dbraw/zinc/56/17/15/1133561715.db2.gz AIXIQXBKTRGVLK-CQSZACIVSA-N 2 1 294.398 3.770 20 0 CHADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc2oc3ccccc3c2c1 ZINC001205324397 1133561718 /nfs/dbraw/zinc/56/17/18/1133561718.db2.gz AIXIQXBKTRGVLK-CQSZACIVSA-N 2 1 294.398 3.770 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CCCCC2)C[C@@H]1C ZINC000084982086 1133582657 /nfs/dbraw/zinc/58/26/57/1133582657.db2.gz PXLSYICZUMKNNE-PMPSAXMXSA-N 2 1 266.473 3.665 20 0 CHADMP CCc1cccc2c(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])CC3)c[nH]c21 ZINC001205615775 1133594629 /nfs/dbraw/zinc/59/46/29/1133594629.db2.gz AYGJUIDWFPKXHM-GOEBONIOSA-N 2 1 299.462 3.537 20 0 CHADMP Cc1csc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1Cl ZINC001205616168 1133594789 /nfs/dbraw/zinc/59/47/89/1133594789.db2.gz DFBWCLZBLGTOKK-ZYHUDNBSSA-N 2 1 286.872 3.517 20 0 CHADMP Cc1ccc(F)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1Cl ZINC001205617230 1133594894 /nfs/dbraw/zinc/59/48/94/1133594894.db2.gz INOPYZKAIWAQLW-DGCLKSJQSA-N 2 1 298.833 3.594 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2csc3ccccc23)CC[C@H]1C[NH3+] ZINC001205626623 1133596062 /nfs/dbraw/zinc/59/60/62/1133596062.db2.gz HHGMKGCNTCYVRJ-KBPBESRZSA-N 2 1 288.460 3.708 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2csc3ccccc23)CC[C@H]1C[NH3+] ZINC001205626624 1133596139 /nfs/dbraw/zinc/59/61/39/1133596139.db2.gz HHGMKGCNTCYVRJ-KGLIPLIRSA-N 2 1 288.460 3.708 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2csc3ccccc23)CC[C@@H]1C[NH3+] ZINC001205626625 1133596504 /nfs/dbraw/zinc/59/65/04/1133596504.db2.gz HHGMKGCNTCYVRJ-UONOGXRCSA-N 2 1 288.460 3.708 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2cccc3sccc32)CC[C@@H]1C[NH3+] ZINC001205651199 1133598855 /nfs/dbraw/zinc/59/88/55/1133598855.db2.gz AZXXCPDUVBABEN-UONOGXRCSA-N 2 1 288.460 3.708 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1 ZINC001205652516 1133600292 /nfs/dbraw/zinc/60/02/92/1133600292.db2.gz PWQRFKDIVGBSTA-HIFRSBDPSA-N 2 1 294.870 3.764 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC001205718384 1133606301 /nfs/dbraw/zinc/60/63/01/1133606301.db2.gz YGHVDYFEOOLLIF-OWCLPIDISA-N 2 1 266.473 3.665 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC001205718384 1133606302 /nfs/dbraw/zinc/60/63/02/1133606302.db2.gz YGHVDYFEOOLLIF-OWCLPIDISA-N 2 1 266.473 3.665 20 0 CHADMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC001205807030 1133616265 /nfs/dbraw/zinc/61/62/65/1133616265.db2.gz XIKHYRTYSCYUDV-WMLDXEAASA-N 2 1 274.452 3.543 20 0 CHADMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC001205807030 1133616267 /nfs/dbraw/zinc/61/62/67/1133616267.db2.gz XIKHYRTYSCYUDV-WMLDXEAASA-N 2 1 274.452 3.543 20 0 CHADMP Cc1ccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c2ccccc12 ZINC001205819081 1133619419 /nfs/dbraw/zinc/61/94/19/1133619419.db2.gz WWQBKVVSUAUMPP-RHSMWYFYSA-N 2 1 282.431 3.707 20 0 CHADMP Cc1ccc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c2ccccc12 ZINC001205819081 1133619424 /nfs/dbraw/zinc/61/94/24/1133619424.db2.gz WWQBKVVSUAUMPP-RHSMWYFYSA-N 2 1 282.431 3.707 20 0 CHADMP C[C@]1(F)CCC[N@@H+](CCC[NH2+]C2CCCCC2)CC1 ZINC001205855895 1133623198 /nfs/dbraw/zinc/62/31/98/1133623198.db2.gz QHVGPGFCGMKLLT-INIZCTEOSA-N 2 1 270.436 3.513 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](C[NH3+])[C@H]3C)cc2)o1 ZINC001205916147 1133629835 /nfs/dbraw/zinc/62/98/35/1133629835.db2.gz SATSTEVUYZQQJB-CRAIPNDOSA-N 2 1 298.430 3.814 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](C[NH3+])[C@H]3C)cc2)o1 ZINC001205916149 1133630415 /nfs/dbraw/zinc/63/04/15/1133630415.db2.gz SATSTEVUYZQQJB-QAPCUYQASA-N 2 1 298.430 3.814 20 0 CHADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC001205924051 1133630840 /nfs/dbraw/zinc/63/08/40/1133630840.db2.gz HINOSCFDHIOULE-UBDQQSCGSA-N 2 1 278.484 3.521 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3CCCC[C@@H]([NH3+])C3)cc2)cc1 ZINC001205930785 1133632412 /nfs/dbraw/zinc/63/24/12/1133632412.db2.gz DJCHVVRYMJPRAJ-HXUWFJFHSA-N 2 1 294.442 3.975 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CCCC[C@@H]([NH3+])C3)cc2)cc1 ZINC001205930785 1133632416 /nfs/dbraw/zinc/63/24/16/1133632416.db2.gz DJCHVVRYMJPRAJ-HXUWFJFHSA-N 2 1 294.442 3.975 20 0 CHADMP [NH3+][C@@H]1CCCC[N@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001205930808 1133633061 /nfs/dbraw/zinc/63/30/61/1133633061.db2.gz DLYDTQRFNZBWLM-GOSISDBHSA-N 2 1 298.405 3.806 20 0 CHADMP [NH3+][C@@H]1CCCC[N@@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001205930808 1133633065 /nfs/dbraw/zinc/63/30/65/1133633065.db2.gz DLYDTQRFNZBWLM-GOSISDBHSA-N 2 1 298.405 3.806 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1CCCC[C@@H]([NH3+])C1 ZINC001205932386 1133633488 /nfs/dbraw/zinc/63/34/88/1133633488.db2.gz RGZPSLRATZBYBX-GOSISDBHSA-N 2 1 294.442 3.975 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1CCCC[C@@H]([NH3+])C1 ZINC001205932386 1133633491 /nfs/dbraw/zinc/63/34/91/1133633491.db2.gz RGZPSLRATZBYBX-GOSISDBHSA-N 2 1 294.442 3.975 20 0 CHADMP CC1=CC[C@H](CC[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)C1(C)C ZINC001205981439 1133638203 /nfs/dbraw/zinc/63/82/03/1133638203.db2.gz CIVKDZIJJHSMRY-USXIJHARSA-N 2 1 278.484 3.676 20 0 CHADMP CC(C)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC001205995775 1133639184 /nfs/dbraw/zinc/63/91/84/1133639184.db2.gz QEGBVDHNGCVBAC-CRAIPNDOSA-N 2 1 274.452 3.617 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2csc3ccccc23)CCC[C@@H]1C[NH3+] ZINC001206003537 1133639981 /nfs/dbraw/zinc/63/99/81/1133639981.db2.gz JBKFTVHAZICFQU-ZIAGYGMSSA-N 2 1 288.460 3.708 20 0 CHADMP C[C@H]1C[N@@H+](Cc2csc3ccccc23)CCC[C@H]1C[NH3+] ZINC001206003534 1133640418 /nfs/dbraw/zinc/64/04/18/1133640418.db2.gz JBKFTVHAZICFQU-KBPBESRZSA-N 2 1 288.460 3.708 20 0 CHADMP CC(C)c1ccccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206014033 1133641184 /nfs/dbraw/zinc/64/11/84/1133641184.db2.gz VLENQTYBAPNHOU-CVEARBPZSA-N 2 1 274.452 3.617 20 0 CHADMP Cc1cc(F)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1Cl ZINC001206037399 1133646345 /nfs/dbraw/zinc/64/63/45/1133646345.db2.gz VJWVJCDEESXHOF-OLZOCXBDSA-N 2 1 298.833 3.594 20 0 CHADMP C[C@H]1CCC[N@@H+](CCC[NH2+]C2CCCCC2)C[C@H]1C ZINC001206109600 1133658266 /nfs/dbraw/zinc/65/82/66/1133658266.db2.gz DDZNYUJCFAMLFY-JKSUJKDBSA-N 2 1 266.473 3.667 20 0 CHADMP CC1(C)C[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001206255842 1133676918 /nfs/dbraw/zinc/67/69/18/1133676918.db2.gz GAHWEDGVJLDWGM-NJAFHUGGSA-N 2 1 284.447 3.743 20 0 CHADMP CC1(C)C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001206255842 1133676922 /nfs/dbraw/zinc/67/69/22/1133676922.db2.gz GAHWEDGVJLDWGM-NJAFHUGGSA-N 2 1 284.447 3.743 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206311106 1133687562 /nfs/dbraw/zinc/68/75/62/1133687562.db2.gz IXMRENLQFWQYIH-INIZCTEOSA-N 2 1 280.843 3.599 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccccc2C2CC2)CC1 ZINC001206311521 1133687907 /nfs/dbraw/zinc/68/79/07/1133687907.db2.gz QEDLHZQJDFDYBS-SFHVURJKSA-N 2 1 272.436 3.515 20 0 CHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2csc3ccccc23)CC1 ZINC001206311431 1133688081 /nfs/dbraw/zinc/68/80/81/1133688081.db2.gz OJZMNCLNFRNYRG-QGZVFWFLSA-N 2 1 288.460 3.852 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc3sccc32)CC1 ZINC001206327321 1133689697 /nfs/dbraw/zinc/68/96/97/1133689697.db2.gz VKZQRCMYQXIUOG-KRWDZBQOSA-N 2 1 288.460 3.852 20 0 CHADMP Cc1c(C)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)ccc1Cl ZINC001206325726 1133690199 /nfs/dbraw/zinc/69/01/99/1133690199.db2.gz IARFHOGINDSLGL-KRWDZBQOSA-N 2 1 294.870 3.908 20 0 CHADMP CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206344090 1133692562 /nfs/dbraw/zinc/69/25/62/1133692562.db2.gz NEVWNTACDITZLL-SFHVURJKSA-N 2 1 292.442 3.637 20 0 CHADMP CC(C)(C)c1ccc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206344090 1133692565 /nfs/dbraw/zinc/69/25/65/1133692565.db2.gz NEVWNTACDITZLL-SFHVURJKSA-N 2 1 292.442 3.637 20 0 CHADMP CC(C)(C)c1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001206549334 1133715151 /nfs/dbraw/zinc/71/51/51/1133715151.db2.gz LQNAXBPGLRZJSO-IBGZPJMESA-N 2 1 288.479 3.935 20 0 CHADMP Cc1ccc([C@H](C)CC[N@H+]2CCCC[C@](C)(C[NH3+])C2)o1 ZINC001206542249 1133715197 /nfs/dbraw/zinc/71/51/97/1133715197.db2.gz WFGZNSQTOOMFRA-RHSMWYFYSA-N 2 1 278.440 3.533 20 0 CHADMP CC[C@@H](CCC(F)(F)F)[NH2+]CCC[N@@H+](C)CC(C)C ZINC001206537648 1133715580 /nfs/dbraw/zinc/71/55/80/1133715580.db2.gz LOEMTOVZHUEONR-ZDUSSCGKSA-N 2 1 282.394 3.675 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206556252 1133716782 /nfs/dbraw/zinc/71/67/82/1133716782.db2.gz PONDKEQOKOQWNX-INIZCTEOSA-N 2 1 280.843 3.599 20 0 CHADMP CC(C)c1ccccc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206564887 1133718591 /nfs/dbraw/zinc/71/85/91/1133718591.db2.gz QXAKRMVJESLGST-SFHVURJKSA-N 2 1 274.452 3.761 20 0 CHADMP CC(C)c1cccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206573215 1133721042 /nfs/dbraw/zinc/72/10/42/1133721042.db2.gz JZSKVFZYRUVEPD-SFHVURJKSA-N 2 1 274.452 3.761 20 0 CHADMP CC(C)[N@H+](Cc1cc(Cl)ccc1F)[C@@H]1CCC[NH2+]CC1 ZINC001206582580 1133722122 /nfs/dbraw/zinc/72/21/22/1133722122.db2.gz OCTWHADOMNJAQC-OAHLLOKOSA-N 2 1 298.833 3.832 20 0 CHADMP CC(C)[N@@H+](Cc1cc(Cl)ccc1F)[C@@H]1CCC[NH2+]CC1 ZINC001206582580 1133722125 /nfs/dbraw/zinc/72/21/25/1133722125.db2.gz OCTWHADOMNJAQC-OAHLLOKOSA-N 2 1 298.833 3.832 20 0 CHADMP Cc1c(F)ccc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1F ZINC001206590586 1133722957 /nfs/dbraw/zinc/72/29/57/1133722957.db2.gz NUYOHLNDPZIZCZ-HNNXBMFYSA-N 2 1 296.405 3.626 20 0 CHADMP Cc1c(F)ccc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1F ZINC001206590586 1133722963 /nfs/dbraw/zinc/72/29/63/1133722963.db2.gz NUYOHLNDPZIZCZ-HNNXBMFYSA-N 2 1 296.405 3.626 20 0 CHADMP CCCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001206714404 1133734504 /nfs/dbraw/zinc/73/45/04/1133734504.db2.gz FWWSKGBKIIJGDQ-JKSUJKDBSA-N 2 1 266.473 3.952 20 0 CHADMP CCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001206714404 1133734507 /nfs/dbraw/zinc/73/45/07/1133734507.db2.gz FWWSKGBKIIJGDQ-JKSUJKDBSA-N 2 1 266.473 3.952 20 0 CHADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC001206767393 1133745436 /nfs/dbraw/zinc/74/54/36/1133745436.db2.gz AGYRDAVKDCYXLB-CABCVRRESA-N 2 1 284.403 3.506 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC001207282877 1133787805 /nfs/dbraw/zinc/78/78/05/1133787805.db2.gz QICBEXATYGUKIB-GOSISDBHSA-N 2 1 288.479 3.844 20 0 CHADMP Cc1cccc(C[N@H+](CC2CC[NH+](C)CC2)C2CC2)c1C ZINC001207400656 1133797409 /nfs/dbraw/zinc/79/74/09/1133797409.db2.gz IVNGRSUCWCVTEP-UHFFFAOYSA-N 2 1 286.463 3.610 20 0 CHADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC001207398469 1133797883 /nfs/dbraw/zinc/79/78/83/1133797883.db2.gz SKFHXKCHJFBUQL-KRWDZBQOSA-N 2 1 292.854 3.819 20 0 CHADMP CCc1cccc(C[N@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC001207838461 1133851403 /nfs/dbraw/zinc/85/14/03/1133851403.db2.gz YXVKYUYDSAITIV-UHFFFAOYSA-N 2 1 274.452 3.602 20 0 CHADMP C[NH+]1CCC(C)(C[N@@H+]2CCc3c4ccccc4oc3C2)CC1 ZINC001208109562 1133877063 /nfs/dbraw/zinc/87/70/63/1133877063.db2.gz OZQVEOUHXHMJJK-UHFFFAOYSA-N 2 1 298.430 3.523 20 0 CHADMP C[NH+]1CCC(C)(C[N@H+]2CCc3c4ccccc4oc3C2)CC1 ZINC001208109562 1133877071 /nfs/dbraw/zinc/87/70/71/1133877071.db2.gz OZQVEOUHXHMJJK-UHFFFAOYSA-N 2 1 298.430 3.523 20 0 CHADMP C[NH+](C)CC1(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)CCCC1 ZINC001208185815 1133902991 /nfs/dbraw/zinc/90/29/91/1133902991.db2.gz ILNYKMYGBLPVIR-SJORKVTESA-N 2 1 278.484 3.621 20 0 CHADMP C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2c2ccccc2)C1 ZINC001208604600 1133917945 /nfs/dbraw/zinc/91/79/45/1133917945.db2.gz QZDJUGNBAFYWJW-WMZOPIPTSA-N 2 1 272.436 3.555 20 0 CHADMP C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2c2ccccc2)C1 ZINC001208604600 1133917929 /nfs/dbraw/zinc/91/79/29/1133917929.db2.gz QZDJUGNBAFYWJW-WMZOPIPTSA-N 2 1 272.436 3.555 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2c2ccccc2)C1 ZINC001208604600 1133917933 /nfs/dbraw/zinc/91/79/33/1133917933.db2.gz QZDJUGNBAFYWJW-WMZOPIPTSA-N 2 1 272.436 3.555 20 0 CHADMP C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2c2ccccc2)C1 ZINC001208604600 1133917939 /nfs/dbraw/zinc/91/79/39/1133917939.db2.gz QZDJUGNBAFYWJW-WMZOPIPTSA-N 2 1 272.436 3.555 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@H](c3ccccc3)CC2)C1 ZINC001208613982 1133918060 /nfs/dbraw/zinc/91/80/60/1133918060.db2.gz BZYHUCIYXVZLEU-HKUYNNGSSA-N 2 1 286.463 3.598 20 0 CHADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@H](c3ccccc3)CC2)C1 ZINC001208613982 1133918064 /nfs/dbraw/zinc/91/80/64/1133918064.db2.gz BZYHUCIYXVZLEU-HKUYNNGSSA-N 2 1 286.463 3.598 20 0 CHADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@H](c3ccccc3)CC2)C1 ZINC001208613982 1133918068 /nfs/dbraw/zinc/91/80/68/1133918068.db2.gz BZYHUCIYXVZLEU-HKUYNNGSSA-N 2 1 286.463 3.598 20 0 CHADMP CC[NH+]1CCC(C[N@@H+](C)C23CC4CC(CC(C4)C2)C3)CC1 ZINC001208599029 1133918417 /nfs/dbraw/zinc/91/84/17/1133918417.db2.gz CIVZFHKSXSFMDQ-UHFFFAOYSA-N 2 1 290.495 3.619 20 0 CHADMP CC[N@H+](Cc1ccc(C)cc1)CC1CC[NH+](CC)CC1 ZINC001208603017 1133919334 /nfs/dbraw/zinc/91/93/34/1133919334.db2.gz RQSOJQPFPMWTFD-UHFFFAOYSA-N 2 1 274.452 3.549 20 0 CHADMP CC[NH+]1CCC(C[N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001208599675 1133919890 /nfs/dbraw/zinc/91/98/90/1133919890.db2.gz KKWFELBTMUVBMU-UHFFFAOYSA-N 2 1 280.843 3.504 20 0 CHADMP CN1CCC[C@@H]2C[N@@H+](CC3(c4ccccc4)CCCC3)C[C@@H]21 ZINC001208779287 1133944620 /nfs/dbraw/zinc/94/46/20/1133944620.db2.gz HJJIXUPUFGQNQL-MJGOQNOKSA-N 2 1 298.474 3.524 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)CC1(c2ccccc2)CCCC1 ZINC001208780390 1133945128 /nfs/dbraw/zinc/94/51/28/1133945128.db2.gz PTLVVTYSJBFWLJ-UHFFFAOYSA-N 2 1 288.479 3.772 20 0 CHADMP CC[C@@H]1CCCC[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208952802 1133967516 /nfs/dbraw/zinc/96/75/16/1133967516.db2.gz LYFNNRCBHHVZKA-RBUKOAKNSA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@@H]1CCCC[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208952802 1133967520 /nfs/dbraw/zinc/96/75/20/1133967520.db2.gz LYFNNRCBHHVZKA-RBUKOAKNSA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@@H]1CCCC[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208952802 1133967524 /nfs/dbraw/zinc/96/75/24/1133967524.db2.gz LYFNNRCBHHVZKA-RBUKOAKNSA-N 2 1 286.463 3.773 20 0 CHADMP C[N@@H+](CCC[NH+]1CCCCC1)C(C)(C)Cc1ccccc1 ZINC001209452386 1134025133 /nfs/dbraw/zinc/02/51/33/1134025133.db2.gz MMWRJTJLUPXKOR-UHFFFAOYSA-N 2 1 288.479 3.816 20 0 CHADMP C[C@H]1CC[N@H+](Cc2cccc(-c3ccsc3)c2)CC[NH2+]1 ZINC001210496111 1134228584 /nfs/dbraw/zinc/22/85/84/1134228584.db2.gz DGYQUKLJAUGGDQ-AWEZNQCLSA-N 2 1 286.444 3.599 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2cccc(-c3ccsc3)c2)CC[NH2+]1 ZINC001210496111 1134228590 /nfs/dbraw/zinc/22/85/90/1134228590.db2.gz DGYQUKLJAUGGDQ-AWEZNQCLSA-N 2 1 286.444 3.599 20 0 CHADMP CC[C@H]1CCC[C@@H](C[NH2+]C(C)(C)C[NH+]2CCCC2)C1 ZINC000308627821 1134974222 /nfs/dbraw/zinc/97/42/22/1134974222.db2.gz JQNZZLVENGMTAC-JKSUJKDBSA-N 2 1 266.473 3.667 20 0 CHADMP COc1ccc2cc(C[N@@H+](C)C3CCC([NH3+])CC3)ccc2c1 ZINC000316685235 1135169796 /nfs/dbraw/zinc/16/97/96/1135169796.db2.gz GJEJTNWCUQYATG-UHFFFAOYSA-N 2 1 298.430 3.550 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222141509 1135199990 /nfs/dbraw/zinc/19/99/90/1135199990.db2.gz NOLGKAZYXJZZMU-DDKKJVIOSA-N 2 1 278.484 3.979 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222154189 1135200704 /nfs/dbraw/zinc/20/07/04/1135200704.db2.gz HZUYBZQTOYAOTI-KRWDZBQOSA-N 2 1 292.854 3.532 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222154189 1135200709 /nfs/dbraw/zinc/20/07/09/1135200709.db2.gz HZUYBZQTOYAOTI-KRWDZBQOSA-N 2 1 292.854 3.532 20 0 CHADMP C(C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1)C1CCCC1 ZINC001222153953 1135200719 /nfs/dbraw/zinc/20/07/19/1135200719.db2.gz DNAHJWAEUGCRIR-GOSISDBHSA-N 2 1 278.484 3.813 20 0 CHADMP CC(C)c1ccc(CC[N@@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222232908 1135211161 /nfs/dbraw/zinc/21/11/61/1135211161.db2.gz YSOKUAZPJUDJQT-IBGZPJMESA-N 2 1 286.463 3.571 20 0 CHADMP CC(C)c1ccc(CC[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222232908 1135211166 /nfs/dbraw/zinc/21/11/66/1135211166.db2.gz YSOKUAZPJUDJQT-IBGZPJMESA-N 2 1 286.463 3.571 20 0 CHADMP c1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c2cccccc1-2 ZINC001222276091 1135217070 /nfs/dbraw/zinc/21/70/70/1135217070.db2.gz BDNMGWCITLOGKB-FQEVSTJZSA-N 2 1 294.442 3.757 20 0 CHADMP c1cc(C2CCC2)ccc1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222277834 1135217545 /nfs/dbraw/zinc/21/75/45/1135217545.db2.gz SWRKPEQJJRMMOW-FQEVSTJZSA-N 2 1 298.474 3.920 20 0 CHADMP CC1=C[C@H](C)[C@@H](C[NH+]2CCC3(CCCC[NH2+]3)CC2)CC1 ZINC001222287373 1135218573 /nfs/dbraw/zinc/21/85/73/1135218573.db2.gz IEDBFHMMECTXDA-DLBZAZTESA-N 2 1 276.468 3.587 20 0 CHADMP C(C[N@H+]1CCC[C@]12CCC[NH2+]CC2)C1CCCCC1 ZINC001222309233 1135222921 /nfs/dbraw/zinc/22/29/21/1135222921.db2.gz OPPQNGPJSVTNCT-KRWDZBQOSA-N 2 1 264.457 3.565 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385718 1135233417 /nfs/dbraw/zinc/23/34/17/1135233417.db2.gz VBGZVGFSABGUDE-QZTJIDSGSA-N 2 1 278.484 3.977 20 0 CHADMP C(CC1CCCC1)C[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385592 1135234014 /nfs/dbraw/zinc/23/40/14/1135234014.db2.gz RFASTSLOFNIMRO-KRWDZBQOSA-N 2 1 264.457 3.565 20 0 CHADMP C(CC1CCCC1)C[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385592 1135234019 /nfs/dbraw/zinc/23/40/19/1135234019.db2.gz RFASTSLOFNIMRO-KRWDZBQOSA-N 2 1 264.457 3.565 20 0 CHADMP C(CC1CCCCC1)C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222422510 1135240949 /nfs/dbraw/zinc/24/09/49/1135240949.db2.gz VEFQQYINSXMKPZ-KRWDZBQOSA-N 2 1 264.457 3.565 20 0 CHADMP C(CC1CCCCC1)C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222422510 1135240953 /nfs/dbraw/zinc/24/09/53/1135240953.db2.gz VEFQQYINSXMKPZ-KRWDZBQOSA-N 2 1 264.457 3.565 20 0 CHADMP c1ccc([C@@H]2C[N@H+](CCC3CCCCC3)CC23C[NH2+]C3)cc1 ZINC001222596104 1135253933 /nfs/dbraw/zinc/25/39/33/1135253933.db2.gz PWKJYKYLROFUMD-IBGZPJMESA-N 2 1 298.474 3.646 20 0 CHADMP c1ccc([C@H]2C[N@H+](CCC3CCCCC3)CC23C[NH2+]C3)cc1 ZINC001222596105 1135254063 /nfs/dbraw/zinc/25/40/63/1135254063.db2.gz PWKJYKYLROFUMD-LJQANCHMSA-N 2 1 298.474 3.646 20 0 CHADMP CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000341890012 130115524 /nfs/dbraw/zinc/11/55/24/130115524.db2.gz FSKXIOBUERLXEJ-QWHCGFSZSA-N 2 1 289.398 3.844 20 0 CHADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000020121875 171001177 /nfs/dbraw/zinc/00/11/77/171001177.db2.gz QMUDVPUTFNDCGC-ZDUSSCGKSA-N 2 1 280.843 3.863 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000020143318 171028940 /nfs/dbraw/zinc/02/89/40/171028940.db2.gz ZWKHATKCXZIOSU-GFCCVEGCSA-N 2 1 264.413 3.548 20 0 CHADMP CCCCCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000020143522 171029328 /nfs/dbraw/zinc/02/93/28/171029328.db2.gz HPMXOJXYCKSIGI-UHFFFAOYSA-N 2 1 274.452 3.821 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)s1 ZINC000020189368 171056071 /nfs/dbraw/zinc/05/60/71/171056071.db2.gz XESQLVWWRGDOAV-CYBMUJFWSA-N 2 1 266.454 3.580 20 0 CHADMP Cc1ccc(C)c([C@H]([NH2+]CCC[NH+](C)C)c2ccccc2)c1 ZINC000021300857 171300924 /nfs/dbraw/zinc/30/09/24/171300924.db2.gz KVAZFRSSDJMTTB-HXUWFJFHSA-N 2 1 296.458 3.934 20 0 CHADMP CC(C)[NH+](CC[NH2+]C1CCCCCCC1)C(C)C ZINC000021513483 171311472 /nfs/dbraw/zinc/31/14/72/171311472.db2.gz OTGYMYIRBVDYJR-UHFFFAOYSA-N 2 1 254.462 3.808 20 0 CHADMP CC[NH+]1CCC([NH2+]C(CC(C)C)CC(C)C)CC1 ZINC000038098015 174111884 /nfs/dbraw/zinc/11/18/84/174111884.db2.gz DDNXANZPYYAJJR-UHFFFAOYSA-N 2 1 254.462 3.521 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000347058558 226008416 /nfs/dbraw/zinc/00/84/16/226008416.db2.gz WRDJPWPKNGNSAB-BEFAXECRSA-N 2 1 280.415 3.523 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C(C)(C)C)C[C@H]1C ZINC000347589680 226210581 /nfs/dbraw/zinc/21/05/81/226210581.db2.gz YNFMNMHIWMYUTP-ZBFHGGJFSA-N 2 1 277.456 3.728 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C(C)(C)C)C[C@H]1C ZINC000347589680 226210584 /nfs/dbraw/zinc/21/05/84/226210584.db2.gz YNFMNMHIWMYUTP-ZBFHGGJFSA-N 2 1 277.456 3.728 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000575192472 335078390 /nfs/dbraw/zinc/07/83/90/335078390.db2.gz CRFGSBXEQNDDQY-DXRVJIQQSA-N 2 1 295.430 3.531 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000575192472 335078391 /nfs/dbraw/zinc/07/83/91/335078391.db2.gz CRFGSBXEQNDDQY-DXRVJIQQSA-N 2 1 295.430 3.531 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1C(C)=CCC[C@@H]1C ZINC000349406071 226744600 /nfs/dbraw/zinc/74/46/00/226744600.db2.gz JSDMGIPQFCYOSK-RDJZCZTQSA-N 2 1 275.440 3.506 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1C(C)=CCC[C@@H]1C ZINC000349406071 226744603 /nfs/dbraw/zinc/74/46/03/226744603.db2.gz JSDMGIPQFCYOSK-RDJZCZTQSA-N 2 1 275.440 3.506 20 0 CHADMP C[NH+](C)Cc1cnc(C[NH2+]CCCCC2CCCC2)s1 ZINC000352757362 227208036 /nfs/dbraw/zinc/20/80/36/227208036.db2.gz UHVMURZEKKWZKU-UHFFFAOYSA-N 2 1 295.496 3.655 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(C)cc(Cl)c1 ZINC000353518923 228114288 /nfs/dbraw/zinc/11/42/88/228114288.db2.gz LXGYMDOXUMFZTC-UHFFFAOYSA-N 2 1 291.826 3.675 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(C)cc(Cl)c1 ZINC000353518923 228114290 /nfs/dbraw/zinc/11/42/90/228114290.db2.gz LXGYMDOXUMFZTC-UHFFFAOYSA-N 2 1 291.826 3.675 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000353292969 228081556 /nfs/dbraw/zinc/08/15/56/228081556.db2.gz QGTZXFWBDXONGW-OLZOCXBDSA-N 2 1 299.409 3.631 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C(C)(C)C)CC1 ZINC000179441597 260049216 /nfs/dbraw/zinc/04/92/16/260049216.db2.gz PNCFGQIXCYEERU-UHFFFAOYSA-N 2 1 277.456 3.730 20 0 CHADMP CCc1ccc([C@@H](CC)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000322973141 260112636 /nfs/dbraw/zinc/11/26/36/260112636.db2.gz YZOONMLALYTORT-XVLXNVKGSA-N 2 1 286.463 3.915 20 0 CHADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1csc2ccccc12 ZINC000070148846 260152460 /nfs/dbraw/zinc/15/24/60/260152460.db2.gz IIPZNBOEMJHCGK-CQSZACIVSA-N 2 1 274.433 3.605 20 0 CHADMP c1coc([C@@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2)c1 ZINC000127894769 260370105 /nfs/dbraw/zinc/37/01/05/260370105.db2.gz NUNBYGIQWQFMAS-LMMKCTJWSA-N 2 1 296.414 3.585 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000130221428 260394282 /nfs/dbraw/zinc/39/42/82/260394282.db2.gz NDKLBGVATGHATI-APHBMKBZSA-N 2 1 278.827 3.617 20 0 CHADMP c1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130218326 260394414 /nfs/dbraw/zinc/39/44/14/260394414.db2.gz KGYBEUXMEKWTNH-SCTDSRPQSA-N 2 1 284.447 3.671 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)s1 ZINC000152469601 261064416 /nfs/dbraw/zinc/06/44/16/261064416.db2.gz NEXNQJWPZAZJCI-DGCLKSJQSA-N 2 1 298.883 3.927 20 0 CHADMP C[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1 ZINC000153972557 261086419 /nfs/dbraw/zinc/08/64/19/261086419.db2.gz IWFGPVXULJWANP-CYBMUJFWSA-N 2 1 292.854 3.660 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000177323459 261345521 /nfs/dbraw/zinc/34/55/21/261345521.db2.gz ONOATHOTTLMEGW-FMJMRLDVSA-N 2 1 284.447 3.570 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(C)cc1 ZINC000164701073 261357671 /nfs/dbraw/zinc/35/76/71/261357671.db2.gz PULWUILEUJTHEI-OAHLLOKOSA-N 2 1 271.408 3.631 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000165623969 261373842 /nfs/dbraw/zinc/37/38/42/261373842.db2.gz YEHOJCIBJWDBNL-HNNXBMFYSA-N 2 1 271.408 3.549 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCC1 ZINC000178078306 261375564 /nfs/dbraw/zinc/37/55/64/261375564.db2.gz MALSINGHOKYVHU-FAXKSRBJSA-N 2 1 298.474 3.960 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cncc(C)c2)c1 ZINC000184344410 262017613 /nfs/dbraw/zinc/01/76/13/262017613.db2.gz WKXOQWVBZWHSJG-INIZCTEOSA-N 2 1 297.446 3.693 20 0 CHADMP C[C@@H](CC[NH2+][C@@H](C)c1ccc(Cl)nc1)[NH+]1CCCCC1 ZINC000184498145 262021621 /nfs/dbraw/zinc/02/16/21/262021621.db2.gz ADQBNAUROYVQEC-KBPBESRZSA-N 2 1 295.858 3.650 20 0 CHADMP CCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000514085699 262160046 /nfs/dbraw/zinc/16/00/46/262160046.db2.gz WQXFPZSTEQYWJL-GBESFXJTSA-N 2 1 286.463 3.677 20 0 CHADMP CCCC[C@H](CC)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000514088515 262185271 /nfs/dbraw/zinc/18/52/71/262185271.db2.gz LYSRCWLHOKGHFS-YLFCFFPRSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2ccc3ccccc3c2)CC[NH2+]1 ZINC000414677400 263030389 /nfs/dbraw/zinc/03/03/89/263030389.db2.gz JBINGTJNEXSGNI-RDJZCZTQSA-N 2 1 282.431 3.660 20 0 CHADMP C[C@@H]1C[C@@H](C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)CC[NH2+]1 ZINC000414689877 263032518 /nfs/dbraw/zinc/03/25/18/263032518.db2.gz LYKOMCNKXWECAS-ZRGWGRIASA-N 2 1 284.447 3.526 20 0 CHADMP CC[C@H](C[N@@H+](CC)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000414714097 263034217 /nfs/dbraw/zinc/03/42/17/263034217.db2.gz LUIILGCXPVTZQD-AEFFLSMTSA-N 2 1 274.452 3.644 20 0 CHADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC[C@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC000414748713 263037714 /nfs/dbraw/zinc/03/77/14/263037714.db2.gz UXTIVSZWSVOIIN-VKJFTORMSA-N 2 1 290.426 3.741 20 0 CHADMP c1ccc(C2CCC(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)CC2)cc1 ZINC000414777013 263044971 /nfs/dbraw/zinc/04/49/71/263044971.db2.gz XJMRWLKNDFGCQF-DXBWTPJFSA-N 2 1 298.474 3.644 20 0 CHADMP c1ccc(C2CCC(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)CC2)cc1 ZINC000414777013 263044972 /nfs/dbraw/zinc/04/49/72/263044972.db2.gz XJMRWLKNDFGCQF-DXBWTPJFSA-N 2 1 298.474 3.644 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000414816995 263054445 /nfs/dbraw/zinc/05/44/45/263054445.db2.gz RHCGSQXLDUUEKN-RCCFBDPRSA-N 2 1 274.452 3.505 20 0 CHADMP C[C@@H](CCc1ccsc1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414832482 263056732 /nfs/dbraw/zinc/05/67/32/263056732.db2.gz DPFFKMDCEVFIHT-BBRMVZONSA-N 2 1 280.481 3.566 20 0 CHADMP C[C@H](CCc1ccsc1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414832486 263056936 /nfs/dbraw/zinc/05/69/36/263056936.db2.gz DPFFKMDCEVFIHT-CZUORRHYSA-N 2 1 280.481 3.566 20 0 CHADMP C[C@H](C[NH3+])[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000414930988 263137361 /nfs/dbraw/zinc/13/73/61/263137361.db2.gz PZXAZYIXWJEWRT-SNVBAGLBSA-N 2 1 280.824 3.505 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(C2CC2)c1 ZINC000293605076 263144049 /nfs/dbraw/zinc/14/40/49/263144049.db2.gz GGBAUMRXHMJZFR-CQSZACIVSA-N 2 1 284.447 3.841 20 0 CHADMP Cc1ccc(-c2ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])s2)cc1 ZINC000415002021 263202246 /nfs/dbraw/zinc/20/22/46/263202246.db2.gz DEBRKLJLOOVIGJ-QWHCGFSZSA-N 2 1 274.433 3.549 20 0 CHADMP C[C@H](CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000415034647 263257104 /nfs/dbraw/zinc/25/71/04/263257104.db2.gz CVBCXYWSCVEGJX-QRQLOZEOSA-N 2 1 286.463 3.644 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415060911 263258793 /nfs/dbraw/zinc/25/87/93/263258793.db2.gz ZKSRWCQSJOPLOL-CRAIPNDOSA-N 2 1 298.430 3.705 20 0 CHADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc2c(s1)CCC2 ZINC000453403419 263268064 /nfs/dbraw/zinc/26/80/64/263268064.db2.gz OJBJYUFROXJIKN-ZDUSSCGKSA-N 2 1 292.492 3.762 20 0 CHADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)s1 ZINC000415086963 263271701 /nfs/dbraw/zinc/27/17/01/263271701.db2.gz SILJKQGHXCRXNP-WBVHZDCISA-N 2 1 286.444 3.639 20 0 CHADMP c1ccc([C@H]2C[C@@H]([NH2+]CC3CCCCC3)CC[NH2+]2)cc1 ZINC000415100804 263274165 /nfs/dbraw/zinc/27/41/65/263274165.db2.gz IDEPFNOKWVDWBG-ZWKOTPCHSA-N 2 1 272.436 3.650 20 0 CHADMP CC[N@H+](CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)C(C)C ZINC000417306517 263794237 /nfs/dbraw/zinc/79/42/37/263794237.db2.gz AJDMLHCGFZELOY-SOUVJXGZSA-N 2 1 280.481 3.560 20 0 CHADMP CC[N@@H+](CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)C(C)C ZINC000417306517 263794241 /nfs/dbraw/zinc/79/42/41/263794241.db2.gz AJDMLHCGFZELOY-SOUVJXGZSA-N 2 1 280.481 3.560 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1cc(Cl)ccc1OC ZINC000425935652 263919457 /nfs/dbraw/zinc/91/94/57/263919457.db2.gz DZOPLXFURSLLPX-IUODEOHRSA-N 2 1 298.858 3.587 20 0 CHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000189320217 264294659 /nfs/dbraw/zinc/29/46/59/264294659.db2.gz QHXARJSDNVVBGF-CYBMUJFWSA-N 2 1 298.833 3.689 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000189320217 264294660 /nfs/dbraw/zinc/29/46/60/264294660.db2.gz QHXARJSDNVVBGF-CYBMUJFWSA-N 2 1 298.833 3.689 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000131997871 264378262 /nfs/dbraw/zinc/37/82/62/264378262.db2.gz DTYJDRJTHAYELH-GHMZBOCLSA-N 2 1 287.234 3.644 20 0 CHADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1cccs1 ZINC000131941199 264385607 /nfs/dbraw/zinc/38/56/07/264385607.db2.gz UGXQILIUPGCGKE-LEWSCRJBSA-N 2 1 258.390 3.544 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000356175402 266062376 /nfs/dbraw/zinc/06/23/76/266062376.db2.gz KKGZYMOMSPREGA-UHFFFAOYSA-N 2 1 299.462 3.711 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccnc1 ZINC000356703577 266161842 /nfs/dbraw/zinc/16/18/42/266161842.db2.gz VAYLIPQMMXABOB-OAHLLOKOSA-N 2 1 287.451 3.529 20 0 CHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H]1c1cccs1 ZINC000356853075 266191094 /nfs/dbraw/zinc/19/10/94/266191094.db2.gz NSTPVJFXHFBDBV-GJZGRUSLSA-N 2 1 278.465 3.759 20 0 CHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H]1c1cccs1 ZINC000356853075 266191097 /nfs/dbraw/zinc/19/10/97/266191097.db2.gz NSTPVJFXHFBDBV-GJZGRUSLSA-N 2 1 278.465 3.759 20 0 CHADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H]1c1cccs1 ZINC000356853075 266191100 /nfs/dbraw/zinc/19/11/00/266191100.db2.gz NSTPVJFXHFBDBV-GJZGRUSLSA-N 2 1 278.465 3.759 20 0 CHADMP CC[C@H]([NH2+]CCC[NH+]1CCCC1)c1cc(C)ccc1OC ZINC000357778837 266359320 /nfs/dbraw/zinc/35/93/20/266359320.db2.gz NZHAWWMAERFIMN-KRWDZBQOSA-N 2 1 290.451 3.530 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000358081733 266417320 /nfs/dbraw/zinc/41/73/20/266417320.db2.gz MBNPFULAEYAEKE-FMKPAKJESA-N 2 1 277.456 3.632 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CCC1CCCC1 ZINC000358090372 266420440 /nfs/dbraw/zinc/42/04/40/266420440.db2.gz DIRPDNOLWBMTDS-HUUCEWRRSA-N 2 1 277.456 3.776 20 0 CHADMP CCC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000368401748 267170028 /nfs/dbraw/zinc/17/00/28/267170028.db2.gz GCSYTGGPFPHRNV-QYZOEREBSA-N 2 1 286.463 3.787 20 0 CHADMP c1cncc([C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C2CCC2)c1 ZINC000370209011 267299316 /nfs/dbraw/zinc/29/93/16/267299316.db2.gz CKDXZUVXSNJMGP-ACBHZAAOSA-N 2 1 299.462 3.529 20 0 CHADMP c1cc2cc(C[NH2+]C3CC([NH+]4CCCCC4)C3)ccc2o1 ZINC000377159079 268051773 /nfs/dbraw/zinc/05/17/73/268051773.db2.gz VIUZEQUPNWLOMM-UHFFFAOYSA-N 2 1 284.403 3.539 20 0 CHADMP C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)nc1)C[NH+]1CCCCC1 ZINC000179109549 327799813 /nfs/dbraw/zinc/79/98/13/327799813.db2.gz ANHUHZQLNPGRAX-KGLIPLIRSA-N 2 1 295.858 3.508 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cccc(F)c1F ZINC000181954183 327811665 /nfs/dbraw/zinc/81/16/65/327811665.db2.gz XCVVEUHYVSZREF-LBPRGKRZSA-N 2 1 293.361 3.601 20 0 CHADMP CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000531720108 328028510 /nfs/dbraw/zinc/02/85/10/328028510.db2.gz KROIHUGYZWIXIS-HOTGVXAUSA-N 2 1 264.457 3.728 20 0 CHADMP CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000531720108 328028511 /nfs/dbraw/zinc/02/85/11/328028511.db2.gz KROIHUGYZWIXIS-HOTGVXAUSA-N 2 1 264.457 3.728 20 0 CHADMP CC(C)CC[N@H+](CCCc1c[nH+]cn1C)C1CCCC1 ZINC000563357499 328056186 /nfs/dbraw/zinc/05/61/86/328056186.db2.gz TXQIWFUVHBDFOE-UHFFFAOYSA-N 2 1 277.456 3.643 20 0 CHADMP CC(C)CC[N@@H+](CCCc1c[nH+]cn1C)C1CCCC1 ZINC000563357499 328056188 /nfs/dbraw/zinc/05/61/88/328056188.db2.gz TXQIWFUVHBDFOE-UHFFFAOYSA-N 2 1 277.456 3.643 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000571334952 328110099 /nfs/dbraw/zinc/11/00/99/328110099.db2.gz UCNLCTKZTIUZOI-HZSPNIEDSA-N 2 1 294.405 3.818 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000571334952 328110101 /nfs/dbraw/zinc/11/01/01/328110101.db2.gz UCNLCTKZTIUZOI-HZSPNIEDSA-N 2 1 294.405 3.818 20 0 CHADMP Cc1occc1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000414382731 328158736 /nfs/dbraw/zinc/15/87/36/328158736.db2.gz PWSXHPUNLMGMBV-QGZVFWFLSA-N 2 1 290.451 3.532 20 0 CHADMP Cc1occc1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000414382731 328158738 /nfs/dbraw/zinc/15/87/38/328158738.db2.gz PWSXHPUNLMGMBV-QGZVFWFLSA-N 2 1 290.451 3.532 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@H](C)c2c1cccc2C ZINC000271150736 328195557 /nfs/dbraw/zinc/19/55/57/328195557.db2.gz QJABCIXUZTXYFT-YOEHRIQHSA-N 2 1 283.419 3.728 20 0 CHADMP Cc1ccc([C@H](C)[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)c(C)c1 ZINC000414682939 328213993 /nfs/dbraw/zinc/21/39/93/328213993.db2.gz ZLTWBVSHTFKINU-IXDOHACOSA-N 2 1 274.452 3.684 20 0 CHADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C[C@@H](C)C1 ZINC000415081808 328301679 /nfs/dbraw/zinc/30/16/79/328301679.db2.gz CGPOAHFNQDRMNR-XWCCPHMRSA-N 2 1 286.463 3.894 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCC12CCCC2)C1CC1 ZINC000453406457 328301865 /nfs/dbraw/zinc/30/18/65/328301865.db2.gz QZEYYWQRIHPPGG-MRXNPFEDSA-N 2 1 264.457 3.563 20 0 CHADMP CC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC000531958280 328340446 /nfs/dbraw/zinc/34/04/46/328340446.db2.gz BLTZUVWQEZAXGS-ROUUACIJSA-N 2 1 274.452 3.807 20 0 CHADMP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000049553340 328371749 /nfs/dbraw/zinc/37/17/49/328371749.db2.gz XRSPWHDNTCNNCH-KGLIPLIRSA-N 2 1 288.435 3.986 20 0 CHADMP CCC[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000576681645 327037600 /nfs/dbraw/zinc/03/76/00/327037600.db2.gz BORDJRCAKOVRCS-WMLDXEAASA-N 2 1 264.457 3.562 20 0 CHADMP c1ccc([C@@H]2CCCC[N@@H+]2CCC[NH+]2CCCC2)cc1 ZINC000558609822 327109320 /nfs/dbraw/zinc/10/93/20/327109320.db2.gz IFSDBUSDQPEAJL-SFHVURJKSA-N 2 1 272.436 3.700 20 0 CHADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000573436778 327160814 /nfs/dbraw/zinc/16/08/14/327160814.db2.gz HHFZCEQEHODFHJ-NSHDSACASA-N 2 1 280.799 3.736 20 0 CHADMP CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CCCn1cc[nH+]c1C ZINC000536475341 327240922 /nfs/dbraw/zinc/24/09/22/327240922.db2.gz GHYGLKSVUBNNLI-IBGZPJMESA-N 2 1 299.462 3.843 20 0 CHADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000536475341 327240924 /nfs/dbraw/zinc/24/09/24/327240924.db2.gz GHYGLKSVUBNNLI-IBGZPJMESA-N 2 1 299.462 3.843 20 0 CHADMP CC(C)C[C@@H](C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000566230419 327248646 /nfs/dbraw/zinc/24/86/46/327248646.db2.gz QMRJEALFWLCNNA-OALUTQOASA-N 2 1 286.463 3.502 20 0 CHADMP CCC(CC)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000559721713 327258484 /nfs/dbraw/zinc/25/84/84/327258484.db2.gz HPXNUSWQZOWCKN-IAGOWNOFSA-N 2 1 260.425 3.600 20 0 CHADMP CCC(CC)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000559721713 327258485 /nfs/dbraw/zinc/25/84/85/327258485.db2.gz HPXNUSWQZOWCKN-IAGOWNOFSA-N 2 1 260.425 3.600 20 0 CHADMP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000559786023 327261945 /nfs/dbraw/zinc/26/19/45/327261945.db2.gz GEKVMGRLQZIWGX-UBDQQSCGSA-N 2 1 272.436 3.600 20 0 CHADMP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000559786023 327261947 /nfs/dbraw/zinc/26/19/47/327261947.db2.gz GEKVMGRLQZIWGX-UBDQQSCGSA-N 2 1 272.436 3.600 20 0 CHADMP CC1=CC[C@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000559892739 327268778 /nfs/dbraw/zinc/26/87/78/327268778.db2.gz FKGVBEFGJIFQLX-CVEARBPZSA-N 2 1 264.457 3.585 20 0 CHADMP CC1=CC[C@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000559892739 327268780 /nfs/dbraw/zinc/26/87/80/327268780.db2.gz FKGVBEFGJIFQLX-CVEARBPZSA-N 2 1 264.457 3.585 20 0 CHADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CC=CCC1 ZINC000560541981 327321865 /nfs/dbraw/zinc/32/18/65/327321865.db2.gz FJCMUAXUTQYHHR-ICSRJNTNSA-N 2 1 298.474 3.797 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2CCCC(C)(C)C2)C1 ZINC000583408936 327348891 /nfs/dbraw/zinc/34/88/91/327348891.db2.gz SYOAMYHDEZWDRB-CVEARBPZSA-N 2 1 266.473 3.523 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC(C)=C[C@H](C)C2)[C@H](C)C1 ZINC000583413161 327350871 /nfs/dbraw/zinc/35/08/71/327350871.db2.gz PBHMHTRJERHYDR-RANZSIQMSA-N 2 1 278.484 3.641 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC(C)=C[C@H](C)C2)[C@H](C)C1 ZINC000583413161 327350873 /nfs/dbraw/zinc/35/08/73/327350873.db2.gz PBHMHTRJERHYDR-RANZSIQMSA-N 2 1 278.484 3.641 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC(C)=C[C@H](C)C2)[C@H](C)C1 ZINC000583413161 327350874 /nfs/dbraw/zinc/35/08/74/327350874.db2.gz PBHMHTRJERHYDR-RANZSIQMSA-N 2 1 278.484 3.641 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261806051 327352172 /nfs/dbraw/zinc/35/21/72/327352172.db2.gz ZFRIEDAOONQCEN-WEZQJLTASA-N 2 1 280.415 3.570 20 0 CHADMP Cc1ccncc1CCC[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000377614079 329020386 /nfs/dbraw/zinc/02/03/86/329020386.db2.gz HGFRBDBUGZQMNZ-LJQANCHMSA-N 2 1 295.430 3.509 20 0 CHADMP CC1=C[C@H](C)C[C@@H](C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000582479472 329095159 /nfs/dbraw/zinc/09/51/59/329095159.db2.gz YNXGVPZIWSMLKQ-KFKAGJAMSA-N 2 1 290.495 3.643 20 0 CHADMP CC1=C[C@H](C)C[C@@H](C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000582479472 329095161 /nfs/dbraw/zinc/09/51/61/329095161.db2.gz YNXGVPZIWSMLKQ-KFKAGJAMSA-N 2 1 290.495 3.643 20 0 CHADMP CC1=C[C@H](C)C[C@@H](C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000582479472 329095163 /nfs/dbraw/zinc/09/51/63/329095163.db2.gz YNXGVPZIWSMLKQ-KFKAGJAMSA-N 2 1 290.495 3.643 20 0 CHADMP CCC(C)(C)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000394584428 329127656 /nfs/dbraw/zinc/12/76/56/329127656.db2.gz FRDQIUHUECGSMY-WMZOPIPTSA-N 2 1 288.479 3.923 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000582733343 329132815 /nfs/dbraw/zinc/13/28/15/329132815.db2.gz ATELCNVCJHQEDA-MRXNPFEDSA-N 2 1 287.407 3.563 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000582733343 329132816 /nfs/dbraw/zinc/13/28/16/329132816.db2.gz ATELCNVCJHQEDA-MRXNPFEDSA-N 2 1 287.407 3.563 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccsc1 ZINC000178098997 329192463 /nfs/dbraw/zinc/19/24/63/329192463.db2.gz UXLLBRIDDJOQPD-CABCVRRESA-N 2 1 280.481 3.911 20 0 CHADMP c1c2ccccc2oc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000178538352 329198420 /nfs/dbraw/zinc/19/84/20/329198420.db2.gz NBYKCMQHPXTQKM-KRWDZBQOSA-N 2 1 298.430 3.883 20 0 CHADMP c1c2ccccc2oc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000178538352 329198421 /nfs/dbraw/zinc/19/84/21/329198421.db2.gz NBYKCMQHPXTQKM-KRWDZBQOSA-N 2 1 298.430 3.883 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000178695285 329202325 /nfs/dbraw/zinc/20/23/25/329202325.db2.gz DPCDNOFFLOGLNI-CVEARBPZSA-N 2 1 285.435 3.795 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000178699860 329202485 /nfs/dbraw/zinc/20/24/85/329202485.db2.gz NNHVCJCTIWYAEZ-CJNGLKHVSA-N 2 1 285.435 3.795 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000178703374 329202577 /nfs/dbraw/zinc/20/25/77/329202577.db2.gz DDQACFWAVNRUHC-HOCLYGCPSA-N 2 1 285.435 3.795 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000178975726 329203573 /nfs/dbraw/zinc/20/35/73/329203573.db2.gz ZDLQBCKNWJTAIB-KGLIPLIRSA-N 2 1 294.870 3.763 20 0 CHADMP Cc1occc1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000321021996 329214341 /nfs/dbraw/zinc/21/43/41/329214341.db2.gz WBRSTOIGWZKOOK-BEFAXECRSA-N 2 1 298.430 3.588 20 0 CHADMP Cc1occc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000321021996 329214342 /nfs/dbraw/zinc/21/43/42/329214342.db2.gz WBRSTOIGWZKOOK-BEFAXECRSA-N 2 1 298.430 3.588 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1C[C@H]1C ZINC000321111905 329260774 /nfs/dbraw/zinc/26/07/74/329260774.db2.gz QQRDZKCESXFARP-HQXSIMGVSA-N 2 1 298.474 3.816 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000583110938 329312988 /nfs/dbraw/zinc/31/29/88/329312988.db2.gz ARYJUCGGYTXYRD-CRAIPNDOSA-N 2 1 288.479 3.756 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000583110938 329312990 /nfs/dbraw/zinc/31/29/90/329312990.db2.gz ARYJUCGGYTXYRD-CRAIPNDOSA-N 2 1 288.479 3.756 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000583110938 329312991 /nfs/dbraw/zinc/31/29/91/329312991.db2.gz ARYJUCGGYTXYRD-CRAIPNDOSA-N 2 1 288.479 3.756 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000583110938 329312993 /nfs/dbraw/zinc/31/29/93/329312993.db2.gz ARYJUCGGYTXYRD-CRAIPNDOSA-N 2 1 288.479 3.756 20 0 CHADMP Cc1cc(F)c(C[N@H+](C)CCCn2ccnc2)c(Cl)c1 ZINC000459559807 329327773 /nfs/dbraw/zinc/32/77/73/329327773.db2.gz MEPGROCUKXOSOI-UHFFFAOYSA-N 2 1 295.789 3.506 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C1CCSCC1 ZINC000187010970 329351604 /nfs/dbraw/zinc/35/16/04/329351604.db2.gz YTIVGKUQWHYSBU-CVEARBPZSA-N 2 1 298.540 3.620 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCCOC(C)(C)C)CC1 ZINC000530390772 329376423 /nfs/dbraw/zinc/37/64/23/329376423.db2.gz QGUHHHSSGHGCSN-UHFFFAOYSA-N 2 1 298.515 3.634 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1C[C@H]1C ZINC000321750473 329396388 /nfs/dbraw/zinc/39/63/88/329396388.db2.gz ASHZBFRBXWWKQK-SMYFESCOSA-N 2 1 286.463 3.674 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1C[C@H]1C ZINC000321750473 329396389 /nfs/dbraw/zinc/39/63/89/329396389.db2.gz ASHZBFRBXWWKQK-SMYFESCOSA-N 2 1 286.463 3.674 20 0 CHADMP Cc1ccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000420363935 329762015 /nfs/dbraw/zinc/76/20/15/329762015.db2.gz CFCDLDRPNRYNCT-PXNSSMCTSA-N 2 1 294.442 3.674 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000514150209 329868156 /nfs/dbraw/zinc/86/81/56/329868156.db2.gz YVKBXNUOSOLBGC-INIZCTEOSA-N 2 1 292.467 3.856 20 0 CHADMP CC(C)C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccn1 ZINC000247000200 329874104 /nfs/dbraw/zinc/87/41/04/329874104.db2.gz JULRZFHNFBLVHQ-NUJGCVRESA-N 2 1 289.467 3.631 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc2ccccc2n1 ZINC000247177571 329877120 /nfs/dbraw/zinc/87/71/20/329877120.db2.gz SWNIMJSTWPOJNM-USXIJHARSA-N 2 1 297.446 3.758 20 0 CHADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(F)cc1 ZINC000527111517 330059950 /nfs/dbraw/zinc/05/99/50/330059950.db2.gz VVXMIWBZDXJSJB-WMLDXEAASA-N 2 1 290.426 3.536 20 0 CHADMP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc(F)cc1 ZINC000527111517 330059952 /nfs/dbraw/zinc/05/99/52/330059952.db2.gz VVXMIWBZDXJSJB-WMLDXEAASA-N 2 1 290.426 3.536 20 0 CHADMP C[C@H](CC1CC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379616603 330142070 /nfs/dbraw/zinc/14/20/70/330142070.db2.gz CSJWTKLRWKRCLI-GPMSIDNRSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@H](CC1CC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379616603 330142072 /nfs/dbraw/zinc/14/20/72/330142072.db2.gz CSJWTKLRWKRCLI-GPMSIDNRSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000379649926 330145740 /nfs/dbraw/zinc/14/57/40/330145740.db2.gz QGRVGXVFOKEJIT-LGKHCZOZSA-N 2 1 298.474 3.818 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC000379649926 330145741 /nfs/dbraw/zinc/14/57/41/330145741.db2.gz QGRVGXVFOKEJIT-LGKHCZOZSA-N 2 1 298.474 3.818 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000379641842 330146090 /nfs/dbraw/zinc/14/60/90/330146090.db2.gz YOXUIRXUKDPVPO-SNRMKQJTSA-N 2 1 286.463 3.818 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000379641842 330146091 /nfs/dbraw/zinc/14/60/91/330146091.db2.gz YOXUIRXUKDPVPO-SNRMKQJTSA-N 2 1 286.463 3.818 20 0 CHADMP c1sc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1-c1ccccc1 ZINC000422564634 330149337 /nfs/dbraw/zinc/14/93/37/330149337.db2.gz WJOIPBSVSRWXJF-UHFFFAOYSA-N 2 1 298.455 3.743 20 0 CHADMP c1ccc([C@H]2C[C@@H]([NH2+]CCC3CCCC3)CC[NH2+]2)cc1 ZINC000422801026 330155645 /nfs/dbraw/zinc/15/56/45/330155645.db2.gz DKCREMWILSLLIW-ZWKOTPCHSA-N 2 1 272.436 3.650 20 0 CHADMP C[C@@H]([NH2+]CCc1ccc(C(C)(C)C)cc1)c1c[nH+]ccc1N ZINC000422853530 330157374 /nfs/dbraw/zinc/15/73/74/330157374.db2.gz ZAXKVDOCHLMGOM-CQSZACIVSA-N 2 1 297.446 3.685 20 0 CHADMP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccccc1Oc1ccccc1 ZINC000422883509 330159195 /nfs/dbraw/zinc/15/91/95/330159195.db2.gz VDMWKFOBHGQBEV-GJZGRUSLSA-N 2 1 296.414 3.737 20 0 CHADMP CC(C)(C)CC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422937987 330161548 /nfs/dbraw/zinc/16/15/48/330161548.db2.gz KIBTYNAEQBIGCI-HZPDHXFCSA-N 2 1 260.425 3.506 20 0 CHADMP c1ccc([C@H]2C[C@@H]([NH2+]C3(c4ccccc4)CC3)CC[NH2+]2)cc1 ZINC000422943306 330161583 /nfs/dbraw/zinc/16/15/83/330161583.db2.gz XXAJKRKFVMJMQT-RBUKOAKNSA-N 2 1 292.426 3.759 20 0 CHADMP CC(C)C[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422999947 330163880 /nfs/dbraw/zinc/16/38/80/330163880.db2.gz GCRMQWBPXHXRII-BHYGNILZSA-N 2 1 260.425 3.504 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)c2ccccc21)c1c[nH+]ccc1N ZINC000423007690 330165047 /nfs/dbraw/zinc/16/50/47/330165047.db2.gz YIOAIGGJQXJSRJ-SNUQEOBHSA-N 2 1 281.403 3.783 20 0 CHADMP Cc1cscc1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423090988 330169063 /nfs/dbraw/zinc/16/90/63/330169063.db2.gz WOAHSKBASZIJHI-IAGOWNOFSA-N 2 1 286.444 3.639 20 0 CHADMP Cc1cscc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423090990 330169278 /nfs/dbraw/zinc/16/92/78/330169278.db2.gz WOAHSKBASZIJHI-SJORKVTESA-N 2 1 286.444 3.639 20 0 CHADMP Cc1cc([C@@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)ccc1F ZINC000423144803 330172576 /nfs/dbraw/zinc/17/25/76/330172576.db2.gz ICCHHTCJNGBXTH-OCBCSQNSSA-N 2 1 284.378 3.930 20 0 CHADMP Cc1ccc([C@@H]([NH2+]CC2([NH3+])CCCCC2)C2CCC2)o1 ZINC000423177505 330175164 /nfs/dbraw/zinc/17/51/64/330175164.db2.gz IYOGTTFHJULACA-INIZCTEOSA-N 2 1 276.424 3.680 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)cc1C ZINC000423181433 330175475 /nfs/dbraw/zinc/17/54/75/330175475.db2.gz CTFYDLREPAJZSI-KRWDZBQOSA-N 2 1 297.446 3.529 20 0 CHADMP Cc1cc(C)cc([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c1 ZINC000423187805 330175609 /nfs/dbraw/zinc/17/56/09/330175609.db2.gz MUHMGOJZHXRMAF-QGZVFWFLSA-N 2 1 297.446 3.529 20 0 CHADMP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423193961 330176057 /nfs/dbraw/zinc/17/60/57/330176057.db2.gz REGPZJDRQAWFDE-CABCVRRESA-N 2 1 299.462 3.566 20 0 CHADMP C[C@H]([NH2+]CC[NH3+])c1ccc(-c2ccccc2Cl)s1 ZINC000423194590 330176372 /nfs/dbraw/zinc/17/63/72/330176372.db2.gz WXBSGKSDCHBHAL-JTQLQIEISA-N 2 1 280.824 3.678 20 0 CHADMP Cc1cccc([C@@H]([NH2+]CC[C@H](C)[NH3+])c2cccc(F)c2)c1 ZINC000423223254 330180078 /nfs/dbraw/zinc/18/00/78/330180078.db2.gz FPYMTFGIQYFSRR-KBXCAEBGSA-N 2 1 286.394 3.550 20 0 CHADMP Cc1cc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cs1 ZINC000423259677 330183554 /nfs/dbraw/zinc/18/35/54/330183554.db2.gz FNBLZOMYUHEDAX-IUODEOHRSA-N 2 1 266.454 3.615 20 0 CHADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000423266112 330183965 /nfs/dbraw/zinc/18/39/65/330183965.db2.gz CUBPPCUFMGOMDP-NEPJUHHUSA-N 2 1 288.357 3.729 20 0 CHADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423270821 330184302 /nfs/dbraw/zinc/18/43/02/330184302.db2.gz WZABPBUPCUJNET-UDTPNQRGSA-N 2 1 286.463 3.676 20 0 CHADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423270819 330184506 /nfs/dbraw/zinc/18/45/06/330184506.db2.gz WZABPBUPCUJNET-GRGSLBFTSA-N 2 1 286.463 3.676 20 0 CHADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000423287499 330186157 /nfs/dbraw/zinc/18/61/57/330186157.db2.gz MRJYXXRVWPZIQU-HNNXBMFYSA-N 2 1 298.430 3.654 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(SC)c(OC)c1 ZINC000423294448 330188118 /nfs/dbraw/zinc/18/81/18/330188118.db2.gz BYXKYPLMIKZVLV-OCCSQVGLSA-N 2 1 296.480 3.585 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCC12CCCCC2 ZINC000423296320 330188310 /nfs/dbraw/zinc/18/83/10/330188310.db2.gz GPFCWJPVOCIEIF-HUUCEWRRSA-N 2 1 252.446 3.597 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000423295035 330188325 /nfs/dbraw/zinc/18/83/25/330188325.db2.gz DHIJFVYGGDZHQC-IKGGRYGDSA-N 2 1 278.415 3.569 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000423295034 330188350 /nfs/dbraw/zinc/18/83/50/330188350.db2.gz DHIJFVYGGDZHQC-BRWVUGGUSA-N 2 1 278.415 3.569 20 0 CHADMP CC[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc(Cl)c1F ZINC000423327208 330190817 /nfs/dbraw/zinc/19/08/17/330190817.db2.gz DCADLRLQNSYBBZ-ZBFHGGJFSA-N 2 1 298.833 3.910 20 0 CHADMP Cc1ccccc1COc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000423364851 330194456 /nfs/dbraw/zinc/19/44/56/330194456.db2.gz JZFKSBUWKJGCSZ-JKSUJKDBSA-N 2 1 298.430 3.572 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1cccc(-c2ccccc2)c1)[C@H](C)[NH3+] ZINC000423434576 330201137 /nfs/dbraw/zinc/20/11/37/330201137.db2.gz CZOMIAJSXBASKF-ZNMIVQPWSA-N 2 1 268.404 3.740 20 0 CHADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000423437088 330201505 /nfs/dbraw/zinc/20/15/05/330201505.db2.gz FWELDSOYEOEGOY-FZNYLWTLSA-N 2 1 287.234 3.770 20 0 CHADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000423450196 330202802 /nfs/dbraw/zinc/20/28/02/330202802.db2.gz SQNUXXPOMRWULY-OAGGEKHMSA-N 2 1 298.430 3.652 20 0 CHADMP CCCCCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000423450693 330202847 /nfs/dbraw/zinc/20/28/47/330202847.db2.gz UAAWCTJZJIEXNH-ILXRZTDVSA-N 2 1 278.440 3.642 20 0 CHADMP CCC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423454139 330203331 /nfs/dbraw/zinc/20/33/31/330203331.db2.gz YQSKOLCZQHUZHW-GYSYKLTISA-N 2 1 254.805 3.507 20 0 CHADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000423464630 330204239 /nfs/dbraw/zinc/20/42/39/330204239.db2.gz MHXCPOFPSKHZST-QAPCUYQASA-N 2 1 298.430 3.654 20 0 CHADMP Clc1ccc2c(c1)[C@@H]([NH2+]CCC[NH2+]C1CC1)CCS2 ZINC000423524725 330210024 /nfs/dbraw/zinc/21/00/24/330210024.db2.gz JYWCKCYSMQNZDW-AWEZNQCLSA-N 2 1 296.867 3.609 20 0 CHADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(Cl)cc1 ZINC000423535291 330210550 /nfs/dbraw/zinc/21/05/50/330210550.db2.gz XHEHSINUNKLOIU-NHYWBVRUSA-N 2 1 266.816 3.508 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC12CC2 ZINC000527869701 330285920 /nfs/dbraw/zinc/28/59/20/330285920.db2.gz WDNCHSNUHKPADW-FPAYPSAMSA-N 2 1 298.474 3.675 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC12CC2 ZINC000527869701 330285921 /nfs/dbraw/zinc/28/59/21/330285921.db2.gz WDNCHSNUHKPADW-FPAYPSAMSA-N 2 1 298.474 3.675 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC12CC2 ZINC000527851744 330288467 /nfs/dbraw/zinc/28/84/67/330288467.db2.gz AZMQRVFKZHPOSB-QXAKKESOSA-N 2 1 298.474 3.677 20 0 CHADMP C1CC1[NH+]1CCC([NH2+][C@@H](C2CCC2)C2CCCCC2)CC1 ZINC000424264712 330332849 /nfs/dbraw/zinc/33/28/49/330332849.db2.gz UOSSONMBMIWKTI-LJQANCHMSA-N 2 1 290.495 3.952 20 0 CHADMP C1CC([C@@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C2CCCCC2)C1 ZINC000424273274 330333260 /nfs/dbraw/zinc/33/32/60/330333260.db2.gz WGACJLHUNYJCMQ-QRVBRYPASA-N 2 1 290.495 3.952 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C[C@@H]1c1ccccc1 ZINC000424287735 330334236 /nfs/dbraw/zinc/33/42/36/330334236.db2.gz HWLIOQIQXBERHF-ZGXWSNOMSA-N 2 1 298.474 3.848 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C[C@@H]1c1ccccc1 ZINC000424287735 330334237 /nfs/dbraw/zinc/33/42/37/330334237.db2.gz HWLIOQIQXBERHF-ZGXWSNOMSA-N 2 1 298.474 3.848 20 0 CHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CC34CC4)[C@H]3CCC[C@@H]32)cc1 ZINC000424314684 330339154 /nfs/dbraw/zinc/33/91/54/330339154.db2.gz CMIVAHYYOMRUAW-YDZRNGNQSA-N 2 1 296.458 3.572 20 0 CHADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000045692175 330348690 /nfs/dbraw/zinc/34/86/90/330348690.db2.gz IFNXLNMGJSYSAQ-WLYUNCDWSA-N 2 1 294.870 3.906 20 0 CHADMP C[C@@H](CC[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424387460 330349611 /nfs/dbraw/zinc/34/96/11/330349611.db2.gz YFGHIUQVOZRQBL-IRXDYDNUSA-N 2 1 286.463 3.644 20 0 CHADMP CCC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000119695470 330378854 /nfs/dbraw/zinc/37/88/54/330378854.db2.gz ATGUZNQATURKOL-GOSISDBHSA-N 2 1 278.484 3.952 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCCC[C@@H]1c1ccco1 ZINC000089428358 330385035 /nfs/dbraw/zinc/38/50/35/330385035.db2.gz QUMVBXPBAPPYAS-HZPDHXFCSA-N 2 1 276.424 3.681 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000089428358 330385036 /nfs/dbraw/zinc/38/50/36/330385036.db2.gz QUMVBXPBAPPYAS-HZPDHXFCSA-N 2 1 276.424 3.681 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000089428358 330385037 /nfs/dbraw/zinc/38/50/37/330385037.db2.gz QUMVBXPBAPPYAS-HZPDHXFCSA-N 2 1 276.424 3.681 20 0 CHADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C)CC1)CCC2 ZINC000090400653 330392399 /nfs/dbraw/zinc/39/23/99/330392399.db2.gz SUPQGFOMGZGNGI-IBGZPJMESA-N 2 1 286.463 3.871 20 0 CHADMP CC[C@H](C)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121014417 330394985 /nfs/dbraw/zinc/39/49/85/330394985.db2.gz LZMZWUKWZVKTAZ-INIZCTEOSA-N 2 1 274.452 3.629 20 0 CHADMP CC[C@H](C)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121014417 330394986 /nfs/dbraw/zinc/39/49/86/330394986.db2.gz LZMZWUKWZVKTAZ-INIZCTEOSA-N 2 1 274.452 3.629 20 0 CHADMP CC1CC[NH+](CCC[NH2+]Cc2cc(Cl)cs2)CC1 ZINC000093093366 330416883 /nfs/dbraw/zinc/41/68/83/330416883.db2.gz OZYXMRYJHLOCDF-UHFFFAOYSA-N 2 1 286.872 3.613 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000315353169 330474521 /nfs/dbraw/zinc/47/45/21/330474521.db2.gz PTXLWTFXZOAMNM-UHFFFAOYSA-N 2 1 291.398 3.571 20 0 CHADMP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000449068573 330896952 /nfs/dbraw/zinc/89/69/52/330896952.db2.gz BWDTZVJYUOBSQO-NVXWUHKLSA-N 2 1 278.484 3.808 20 0 CHADMP Cc1cccc(N2CCC([NH2+][C@@H](C)CC(C)(C)C)CC2)[nH+]1 ZINC000449144022 330901558 /nfs/dbraw/zinc/90/15/58/330901558.db2.gz RWZIXYPPWZGZIT-HNNXBMFYSA-N 2 1 289.467 3.773 20 0 CHADMP CC(C)[NH+](CC[NH2+][C@@H](C)CCCc1cccnc1)C(C)C ZINC000453068046 331086088 /nfs/dbraw/zinc/08/60/88/331086088.db2.gz ZMSFHSLVUFYDNV-KRWDZBQOSA-N 2 1 291.483 3.501 20 0 CHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000453069961 331086323 /nfs/dbraw/zinc/08/63/23/331086323.db2.gz ZMEUPIFHYAQHGS-YJBOKZPZSA-N 2 1 278.484 3.667 20 0 CHADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCCC34CCC4)CC2)[nH+]1 ZINC000453124674 331091667 /nfs/dbraw/zinc/09/16/67/331091667.db2.gz OQEBRYOFZOMMRU-QGZVFWFLSA-N 2 1 299.462 3.671 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000453269244 331109563 /nfs/dbraw/zinc/10/95/63/331109563.db2.gz PJWZOCHFPGIDGJ-LULLPPNCSA-N 2 1 286.463 3.500 20 0 CHADMP CC[C@H](Cc1ccc(C)cc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453402873 331128965 /nfs/dbraw/zinc/12/89/65/331128965.db2.gz NZTSWRFQTMLDGX-GOSISDBHSA-N 2 1 288.479 3.780 20 0 CHADMP Cc1ccccc1[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453404789 331129233 /nfs/dbraw/zinc/12/92/33/331129233.db2.gz PWXKELTVGASOKK-OAHLLOKOSA-N 2 1 260.425 3.520 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCc2cc(F)ccc21)C1CC1 ZINC000453414005 331130175 /nfs/dbraw/zinc/13/01/75/331130175.db2.gz WXWMOPOPECILMR-GOSISDBHSA-N 2 1 290.426 3.667 20 0 CHADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(Cl)c1 ZINC000453436923 331131703 /nfs/dbraw/zinc/13/17/03/331131703.db2.gz VAONPXPQATZWAM-ZDUSSCGKSA-N 2 1 280.843 3.865 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CCc2cccc(Cl)c2)C1 ZINC000459425979 331280862 /nfs/dbraw/zinc/28/08/62/331280862.db2.gz LOLCHJOQDDFSIH-INIZCTEOSA-N 2 1 294.870 3.593 20 0 CHADMP CCCC[C@H](CCC)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459437087 331281200 /nfs/dbraw/zinc/28/12/00/331281200.db2.gz GMZPXKXZYBJVRC-HNNXBMFYSA-N 2 1 266.473 3.809 20 0 CHADMP CC(C)c1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000459540972 331286623 /nfs/dbraw/zinc/28/66/23/331286623.db2.gz VZOQTPWRHVCXMN-UHFFFAOYSA-N 2 1 272.436 3.526 20 0 CHADMP Cc1ccc2c(C)cc(N3CCC(C[NH+](C)C)CC3)[nH+]c2c1 ZINC000460965785 331309516 /nfs/dbraw/zinc/30/95/16/331309516.db2.gz UEKWBYKWDIZAOT-UHFFFAOYSA-N 2 1 297.446 3.630 20 0 CHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CC[C@@H](C)C2)C1 ZINC000462745179 331327084 /nfs/dbraw/zinc/32/70/84/331327084.db2.gz OFAYWIUQRPEUKY-OAGGEKHMSA-N 2 1 266.473 3.665 20 0 CHADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CC[C@@H](C)C2)C1 ZINC000462745179 331327085 /nfs/dbraw/zinc/32/70/85/331327085.db2.gz OFAYWIUQRPEUKY-OAGGEKHMSA-N 2 1 266.473 3.665 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(C3CCCC3)cc2)CC1 ZINC000462784517 331328785 /nfs/dbraw/zinc/32/87/85/331328785.db2.gz FWKRKHRSTRJCKH-UHFFFAOYSA-N 2 1 284.447 3.696 20 0 CHADMP FCCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000462814809 331330647 /nfs/dbraw/zinc/33/06/47/331330647.db2.gz GJQRUJKQRDNRFQ-BCDXTJNWSA-N 2 1 290.426 3.521 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC23CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000463240097 331343790 /nfs/dbraw/zinc/34/37/90/331343790.db2.gz IWSHFBQSAOKGOI-QRQLOZEOSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC23CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000463240097 331343791 /nfs/dbraw/zinc/34/37/91/331343791.db2.gz IWSHFBQSAOKGOI-QRQLOZEOSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@H]([NH2+]CC1([NH+](C)C)CCCC1)C1CCC(F)(F)CC1 ZINC000474038446 331564318 /nfs/dbraw/zinc/56/43/18/331564318.db2.gz UNCAAINQRARPBX-ZDUSSCGKSA-N 2 1 288.426 3.664 20 0 CHADMP CCC[C@H]([NH2+]CCCn1cc[nH+]c1C)C1CCCCC1 ZINC000511021164 332924659 /nfs/dbraw/zinc/92/46/59/332924659.db2.gz YMMQKVFDLTWWNF-KRWDZBQOSA-N 2 1 277.456 3.920 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488433278 332007688 /nfs/dbraw/zinc/00/76/88/332007688.db2.gz HQRDMIPDTBKDQM-BZUAXINKSA-N 2 1 298.540 3.761 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000488433281 332007740 /nfs/dbraw/zinc/00/77/40/332007740.db2.gz HQRDMIPDTBKDQM-PMPSAXMXSA-N 2 1 298.540 3.761 20 0 CHADMP CC(C)C1CC([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000488433860 332007883 /nfs/dbraw/zinc/00/78/83/332007883.db2.gz OJCKLNDCOOZLOI-GTPINHCMSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCC[C@H](c2ccccc2)C1 ZINC000488443479 332009086 /nfs/dbraw/zinc/00/90/86/332009086.db2.gz OFERVVHVKSNXEP-BVBHFADKSA-N 2 1 286.463 3.643 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCC[C@H](c2ccccc2)C1 ZINC000488443479 332009087 /nfs/dbraw/zinc/00/90/87/332009087.db2.gz OFERVVHVKSNXEP-BVBHFADKSA-N 2 1 286.463 3.643 20 0 CHADMP CC(C)[C@H](C[NH2+][C@H]1CS[C@H](C(C)(C)C)C1)[NH+]1CCCC1 ZINC000488452793 332010539 /nfs/dbraw/zinc/01/05/39/332010539.db2.gz BNSPHCUOAFZCAX-PMPSAXMXSA-N 2 1 298.540 3.617 20 0 CHADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+]C1CCC2(CC2)CC1 ZINC000488482998 332013006 /nfs/dbraw/zinc/01/30/06/332013006.db2.gz IECFODKBPJYNOO-HNNXBMFYSA-N 2 1 264.457 3.563 20 0 CHADMP CC[C@@H]1C[C@@H](C)C[NH+]1CCC[N@@H+]1C[C@@H](C)C[C@H]1CC ZINC000489296639 332045965 /nfs/dbraw/zinc/04/59/65/332045965.db2.gz SKGPLVRTXLAOLG-YYIAUSFCSA-N 2 1 266.473 3.617 20 0 CHADMP CC[C@@H]1C[C@H](C)C[NH+]1CCC[N@@H+]1C[C@H](C)C[C@H]1CC ZINC000489296639 332045966 /nfs/dbraw/zinc/04/59/66/332045966.db2.gz SKGPLVRTXLAOLG-YYIAUSFCSA-N 2 1 266.473 3.617 20 0 CHADMP CC[C@@H]1C[C@H](C)C[NH+]1CCC[N@H+]1C[C@H](C)C[C@H]1CC ZINC000489296639 332045967 /nfs/dbraw/zinc/04/59/67/332045967.db2.gz SKGPLVRTXLAOLG-YYIAUSFCSA-N 2 1 266.473 3.617 20 0 CHADMP C(C[NH+]1C[C@@H]2CCCC[C@H]2C1)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000489356388 332048330 /nfs/dbraw/zinc/04/83/30/332048330.db2.gz DUUZPDVZKQEWHP-CADBVGFASA-N 2 1 290.495 3.621 20 0 CHADMP C[C@@H](c1ccc2c(c1)CCC2)[N@@H+](C)C[C@H]1CCCN(C)C1 ZINC000489845907 332069912 /nfs/dbraw/zinc/06/99/12/332069912.db2.gz ZKEIUONXRBLUJF-HOTGVXAUSA-N 2 1 286.463 3.510 20 0 CHADMP C[C@@H](c1ccc2c(c1)CCC2)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000489845907 332069914 /nfs/dbraw/zinc/06/99/14/332069914.db2.gz ZKEIUONXRBLUJF-HOTGVXAUSA-N 2 1 286.463 3.510 20 0 CHADMP C[C@@H](c1ccc2c(c1)CCC2)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000489845907 332069916 /nfs/dbraw/zinc/06/99/16/332069916.db2.gz ZKEIUONXRBLUJF-HOTGVXAUSA-N 2 1 286.463 3.510 20 0 CHADMP C[C@@H](c1ccc2c(c1)CCC2)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000489845907 332069917 /nfs/dbraw/zinc/06/99/17/332069917.db2.gz ZKEIUONXRBLUJF-HOTGVXAUSA-N 2 1 286.463 3.510 20 0 CHADMP C[C@@H](c1ccc2c(c1)CCC2)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000489845907 332069919 /nfs/dbraw/zinc/06/99/19/332069919.db2.gz ZKEIUONXRBLUJF-HOTGVXAUSA-N 2 1 286.463 3.510 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000491058309 332143661 /nfs/dbraw/zinc/14/36/61/332143661.db2.gz GFOWUKDEFAFWGV-IBGZPJMESA-N 2 1 286.463 3.775 20 0 CHADMP C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172575867 335109533 /nfs/dbraw/zinc/10/95/33/335109533.db2.gz ALOWLIIRGSEOAN-QAPCUYQASA-N 2 1 290.426 3.837 20 0 CHADMP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172575867 335109535 /nfs/dbraw/zinc/10/95/35/335109535.db2.gz ALOWLIIRGSEOAN-QAPCUYQASA-N 2 1 290.426 3.837 20 0 CHADMP CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512135351 332954983 /nfs/dbraw/zinc/95/49/83/332954983.db2.gz IREOGEHQAGUDCM-CABCVRRESA-N 2 1 295.496 3.509 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000513111777 333004765 /nfs/dbraw/zinc/00/47/65/333004765.db2.gz MJHINGVVAHEFKT-RDBSUJKOSA-N 2 1 292.389 3.572 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000513111777 333004766 /nfs/dbraw/zinc/00/47/66/333004766.db2.gz MJHINGVVAHEFKT-RDBSUJKOSA-N 2 1 292.389 3.572 20 0 CHADMP C[N@@H+](CC1CCC(C)(C)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513145667 333006356 /nfs/dbraw/zinc/00/63/56/333006356.db2.gz WRSCXPKSTLPCKA-SJPCQFCGSA-N 2 1 278.484 3.760 20 0 CHADMP C[NH+](CC1CCC(C)(C)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513145667 333006357 /nfs/dbraw/zinc/00/63/57/333006357.db2.gz WRSCXPKSTLPCKA-SJPCQFCGSA-N 2 1 278.484 3.760 20 0 CHADMP C[NH+](CC1CCC(C)(C)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513145667 333006358 /nfs/dbraw/zinc/00/63/58/333006358.db2.gz WRSCXPKSTLPCKA-SJPCQFCGSA-N 2 1 278.484 3.760 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309681508 333047215 /nfs/dbraw/zinc/04/72/15/333047215.db2.gz ASKYQNGKGNPEAR-IMBTUZDBSA-N 2 1 288.479 3.921 20 0 CHADMP CCC(CC)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309884242 333051038 /nfs/dbraw/zinc/05/10/38/333051038.db2.gz YDSUTLRGJORWGJ-WBVHZDCISA-N 2 1 274.452 3.675 20 0 CHADMP CC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000310027202 333052874 /nfs/dbraw/zinc/05/28/74/333052874.db2.gz VWQGKXUOUCKLAC-AEFFLSMTSA-N 2 1 274.452 3.677 20 0 CHADMP C[NH+](C/C=C\C[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000514077807 333064939 /nfs/dbraw/zinc/06/49/39/333064939.db2.gz ZYMSXEPOQNNKKC-KTKRTIGZSA-N 2 1 294.442 3.807 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1CCC[C@@H](C)C1 ZINC000516815292 333083265 /nfs/dbraw/zinc/08/32/65/333083265.db2.gz MRPMABHELFKDTB-IAGOWNOFSA-N 2 1 291.483 3.984 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1CCC[C@@H](C)C1 ZINC000516815292 333083266 /nfs/dbraw/zinc/08/32/66/333083266.db2.gz MRPMABHELFKDTB-IAGOWNOFSA-N 2 1 291.483 3.984 20 0 CHADMP CC(C)C[C@H](C)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000520958755 333108834 /nfs/dbraw/zinc/10/88/34/333108834.db2.gz GQPLGOOONHCKBF-INIZCTEOSA-N 2 1 268.489 3.721 20 0 CHADMP CCc1ccc([C@@H]([NH2+]CCCc2c[nH+]cn2C)C(C)C)cc1 ZINC000521063472 333110742 /nfs/dbraw/zinc/11/07/42/333110742.db2.gz WQTOUELNEXKKBZ-IBGZPJMESA-N 2 1 299.462 3.902 20 0 CHADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000186091351 333154830 /nfs/dbraw/zinc/15/48/30/333154830.db2.gz IHXPKFZNEGBQRZ-LJQANCHMSA-N 2 1 298.474 3.897 20 0 CHADMP COc1ccsc1[C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000186184475 333156474 /nfs/dbraw/zinc/15/64/74/333156474.db2.gz VPRSTGLNUZFOJN-AWEZNQCLSA-N 2 1 298.496 3.916 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC34CCCC4)CC2)cc1 ZINC000189033365 333178556 /nfs/dbraw/zinc/17/85/56/333178556.db2.gz XDGQDQSGTIAQGE-LJQANCHMSA-N 2 1 298.474 3.963 20 0 CHADMP C1C[C@H]2C[C@H]([NH2+][C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC[N@H+]2C1 ZINC000223485225 333208512 /nfs/dbraw/zinc/20/85/12/333208512.db2.gz IMEUTJXEPMANOL-TZNCUMHOSA-N 2 1 276.468 3.562 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000523556642 333332914 /nfs/dbraw/zinc/33/29/14/333332914.db2.gz GUYZODYYEQSFRV-GOSISDBHSA-N 2 1 286.463 3.530 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]CC(C)(C)C)c1 ZINC000236653995 333374244 /nfs/dbraw/zinc/37/42/44/333374244.db2.gz QQFGQIVJEROCNL-UHFFFAOYSA-N 2 1 262.441 3.663 20 0 CHADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3ccccc3)o2)C1 ZINC000236931398 333376502 /nfs/dbraw/zinc/37/65/02/333376502.db2.gz RDTBBBVHWAZOEX-INIZCTEOSA-N 2 1 298.430 3.768 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3ccccc3)o2)C1 ZINC000236931398 333376503 /nfs/dbraw/zinc/37/65/03/333376503.db2.gz RDTBBBVHWAZOEX-INIZCTEOSA-N 2 1 298.430 3.768 20 0 CHADMP C[N@@H+](CCC[NH2+]Cc1cccc2cc[nH]c21)C1CCCCC1 ZINC000237084256 333377640 /nfs/dbraw/zinc/37/76/40/333377640.db2.gz JRTZTWVBGKAXDD-UHFFFAOYSA-N 2 1 299.462 3.912 20 0 CHADMP C[C@@H](C[NH2+]CC(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC000237337285 333378881 /nfs/dbraw/zinc/37/88/81/333378881.db2.gz FWZJAIFJDXWUCG-INIZCTEOSA-N 2 1 274.452 3.644 20 0 CHADMP c1ccc(C2CCC([NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000315600384 333382721 /nfs/dbraw/zinc/38/27/21/333382721.db2.gz TXHKHMXESMDEAI-GHBBCFCZSA-N 2 1 298.474 3.929 20 0 CHADMP c1ccc(C2CCC([NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000315600384 333382722 /nfs/dbraw/zinc/38/27/22/333382722.db2.gz TXHKHMXESMDEAI-GHBBCFCZSA-N 2 1 298.474 3.929 20 0 CHADMP C(=C/c1ccccc1)\C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173879372 335142710 /nfs/dbraw/zinc/14/27/10/335142710.db2.gz XVTBIBJXGIJUQH-VQFGERMISA-N 2 1 284.447 3.508 20 0 CHADMP C(=C/c1ccccc1)\C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173879372 335142712 /nfs/dbraw/zinc/14/27/12/335142712.db2.gz XVTBIBJXGIJUQH-VQFGERMISA-N 2 1 284.447 3.508 20 0 CHADMP CC(C)[NH+](CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C(C)C ZINC000069376348 333758307 /nfs/dbraw/zinc/75/83/07/333758307.db2.gz VZHHTQQIOKEXNS-ZIAGYGMSSA-N 2 1 294.405 3.816 20 0 CHADMP C[C@H](CC[NH2+][C@H](C)c1cc(F)cc(F)c1)[NH+]1CCCCC1 ZINC000541559353 333780378 /nfs/dbraw/zinc/78/03/78/333780378.db2.gz NFVJOPQFMBXCOX-ZIAGYGMSSA-N 2 1 296.405 3.880 20 0 CHADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000546019567 334012782 /nfs/dbraw/zinc/01/27/82/334012782.db2.gz XXDDPCFBAKGQOJ-FUHWJXTLSA-N 2 1 286.463 3.612 20 0 CHADMP CCCC[C@H](CC)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000546931835 334055849 /nfs/dbraw/zinc/05/58/49/334055849.db2.gz CXFWYHWZRPPHNJ-INIZCTEOSA-N 2 1 266.473 3.763 20 0 CHADMP CCCC[C@H](CC)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000546931835 334055851 /nfs/dbraw/zinc/05/58/51/334055851.db2.gz CXFWYHWZRPPHNJ-INIZCTEOSA-N 2 1 266.473 3.763 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCc2ccccc2Cl)C1 ZINC000076002851 334066092 /nfs/dbraw/zinc/06/60/92/334066092.db2.gz CYHJVDNRPGHZHB-OAHLLOKOSA-N 2 1 294.870 3.546 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCc2ccccc2Cl)C1 ZINC000076002851 334066094 /nfs/dbraw/zinc/06/60/94/334066094.db2.gz CYHJVDNRPGHZHB-OAHLLOKOSA-N 2 1 294.870 3.546 20 0 CHADMP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000564318909 334083836 /nfs/dbraw/zinc/08/38/36/334083836.db2.gz LRSUCJQEEYJEIQ-SQNIBIBYSA-N 2 1 280.500 3.911 20 0 CHADMP C[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)[C@@H]2CCCC[C@H]12 ZINC000547737601 334113365 /nfs/dbraw/zinc/11/33/65/334113365.db2.gz ZZKPMJSVJIYBRL-KZNAEPCWSA-N 2 1 278.484 3.763 20 0 CHADMP C[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)[C@@H]2CCCC[C@H]12 ZINC000547737601 334113367 /nfs/dbraw/zinc/11/33/67/334113367.db2.gz ZZKPMJSVJIYBRL-KZNAEPCWSA-N 2 1 278.484 3.763 20 0 CHADMP CCC[C@H]1CCCC[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000547832340 334124909 /nfs/dbraw/zinc/12/49/09/334124909.db2.gz SSUJPSAWHXWFOZ-HOTGVXAUSA-N 2 1 263.429 3.530 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)[N@H+](C)CCCn1cc[nH+]c1C ZINC000136289992 334151427 /nfs/dbraw/zinc/15/14/27/334151427.db2.gz MYDWWLBSGFFNCU-KRWDZBQOSA-N 2 1 289.398 3.804 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000136289992 334151428 /nfs/dbraw/zinc/15/14/28/334151428.db2.gz MYDWWLBSGFFNCU-KRWDZBQOSA-N 2 1 289.398 3.804 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000081094718 334178369 /nfs/dbraw/zinc/17/83/69/334178369.db2.gz KZIRQHLGYJVDTA-CJNGLKHVSA-N 2 1 280.843 3.502 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000081094718 334178370 /nfs/dbraw/zinc/17/83/70/334178370.db2.gz KZIRQHLGYJVDTA-CJNGLKHVSA-N 2 1 280.843 3.502 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000081094718 334178371 /nfs/dbraw/zinc/17/83/71/334178371.db2.gz KZIRQHLGYJVDTA-CJNGLKHVSA-N 2 1 280.843 3.502 20 0 CHADMP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2ccccc2F)C1 ZINC000245417088 334191357 /nfs/dbraw/zinc/19/13/57/334191357.db2.gz FTDGPIHZLMGREF-HUUCEWRRSA-N 2 1 278.415 3.550 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2ccccc2F)C1 ZINC000245417088 334191359 /nfs/dbraw/zinc/19/13/59/334191359.db2.gz FTDGPIHZLMGREF-HUUCEWRRSA-N 2 1 278.415 3.550 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC000245417088 334191360 /nfs/dbraw/zinc/19/13/60/334191360.db2.gz FTDGPIHZLMGREF-HUUCEWRRSA-N 2 1 278.415 3.550 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2ccccc2F)C1 ZINC000245417088 334191361 /nfs/dbraw/zinc/19/13/61/334191361.db2.gz FTDGPIHZLMGREF-HUUCEWRRSA-N 2 1 278.415 3.550 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](CC)c2ccccc2)C1 ZINC000081570265 334197297 /nfs/dbraw/zinc/19/72/97/334197297.db2.gz GBMQPWYONNCEER-AEFFLSMTSA-N 2 1 274.452 3.801 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](CC)c2ccccc2)C1 ZINC000081570265 334197298 /nfs/dbraw/zinc/19/72/98/334197298.db2.gz GBMQPWYONNCEER-AEFFLSMTSA-N 2 1 274.452 3.801 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](CC)c2ccccc2)C1 ZINC000081570265 334197300 /nfs/dbraw/zinc/19/73/00/334197300.db2.gz GBMQPWYONNCEER-AEFFLSMTSA-N 2 1 274.452 3.801 20 0 CHADMP C[C@@H]([NH2+]CC[N@H+](C)C1CCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549623444 334200012 /nfs/dbraw/zinc/20/00/12/334200012.db2.gz AIUXUESYXNCFEP-MNEFBYGVSA-N 2 1 286.463 3.643 20 0 CHADMP C[C@@H]([NH2+]CC[N@@H+](C)C1CCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549623444 334200014 /nfs/dbraw/zinc/20/00/14/334200014.db2.gz AIUXUESYXNCFEP-MNEFBYGVSA-N 2 1 286.463 3.643 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC3CCC2CC3)C[C@@H]1c1ccccc1 ZINC000550754686 334228461 /nfs/dbraw/zinc/22/84/61/334228461.db2.gz ZLPKLMJQJGVWHH-NKBYQBPKSA-N 2 1 298.474 3.990 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CC3CCC2CC3)C[C@@H]1c1ccccc1 ZINC000550754686 334228462 /nfs/dbraw/zinc/22/84/62/334228462.db2.gz ZLPKLMJQJGVWHH-NKBYQBPKSA-N 2 1 298.474 3.990 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)CCc2ccccc2)C1 ZINC000246218383 334242033 /nfs/dbraw/zinc/24/20/33/334242033.db2.gz OREMQJXMFQRYOZ-MJGOQNOKSA-N 2 1 288.479 3.671 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)CCc2ccccc2)C1 ZINC000246218383 334242035 /nfs/dbraw/zinc/24/20/35/334242035.db2.gz OREMQJXMFQRYOZ-MJGOQNOKSA-N 2 1 288.479 3.671 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)CCc2ccccc2)C1 ZINC000246218383 334242036 /nfs/dbraw/zinc/24/20/36/334242036.db2.gz OREMQJXMFQRYOZ-MJGOQNOKSA-N 2 1 288.479 3.671 20 0 CHADMP CC1=CC[C@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000551312855 334246472 /nfs/dbraw/zinc/24/64/72/334246472.db2.gz CNGIGTGRINYNKY-HKUYNNGSSA-N 2 1 286.463 3.985 20 0 CHADMP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)o1 ZINC000247125805 334276254 /nfs/dbraw/zinc/27/62/54/334276254.db2.gz YZZYLQJLSXZMSA-CRTWOITFSA-N 2 1 288.435 3.508 20 0 CHADMP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)o1 ZINC000247125805 334276256 /nfs/dbraw/zinc/27/62/56/334276256.db2.gz YZZYLQJLSXZMSA-CRTWOITFSA-N 2 1 288.435 3.508 20 0 CHADMP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000247157127 334276754 /nfs/dbraw/zinc/27/67/54/334276754.db2.gz RVJKRPZPAXYZKT-FUHWJXTLSA-N 2 1 288.479 3.817 20 0 CHADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000247503797 334282979 /nfs/dbraw/zinc/28/29/79/334282979.db2.gz LYOOWHYPBOQGCH-FUHWJXTLSA-N 2 1 274.452 3.801 20 0 CHADMP CCCC[C@H](CC)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000247946517 334291958 /nfs/dbraw/zinc/29/19/58/334291958.db2.gz HRTMHRRGUPOEQW-OWCLPIDISA-N 2 1 254.462 3.523 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248157356 334296203 /nfs/dbraw/zinc/29/62/03/334296203.db2.gz RNQSWNDTVRPTIZ-JQHSSLGASA-N 2 1 290.426 3.693 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248157356 334296204 /nfs/dbraw/zinc/29/62/04/334296204.db2.gz RNQSWNDTVRPTIZ-JQHSSLGASA-N 2 1 290.426 3.693 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248157356 334296205 /nfs/dbraw/zinc/29/62/05/334296205.db2.gz RNQSWNDTVRPTIZ-JQHSSLGASA-N 2 1 290.426 3.693 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(F)F)cc2)[C@@H](C)C1 ZINC000248389446 334299754 /nfs/dbraw/zinc/29/97/54/334299754.db2.gz GNACQUDJYCRUCS-XJKSGUPXSA-N 2 1 296.405 3.786 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(F)F)cc2)[C@@H](C)C1 ZINC000248389446 334299756 /nfs/dbraw/zinc/29/97/56/334299756.db2.gz GNACQUDJYCRUCS-XJKSGUPXSA-N 2 1 296.405 3.786 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(F)F)cc2)[C@@H](C)C1 ZINC000248389446 334299757 /nfs/dbraw/zinc/29/97/57/334299757.db2.gz GNACQUDJYCRUCS-XJKSGUPXSA-N 2 1 296.405 3.786 20 0 CHADMP C[C@@H]([NH2+][C@H]1CCCC[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248399810 334300295 /nfs/dbraw/zinc/30/02/95/334300295.db2.gz KHTIQUILXCCIQQ-CBZIJGRNSA-N 2 1 278.484 3.808 20 0 CHADMP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000552246184 334307977 /nfs/dbraw/zinc/30/79/77/334307977.db2.gz MEJKOXXIWIHSAN-DOTOQJQBSA-N 2 1 292.854 3.565 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000552257373 334309485 /nfs/dbraw/zinc/30/94/85/334309485.db2.gz BYJLGUZZXTWHSE-ZIAGYGMSSA-N 2 1 298.421 3.606 20 0 CHADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)Cc1ccccc1 ZINC000248676043 334312668 /nfs/dbraw/zinc/31/26/68/334312668.db2.gz AFRAJUIRFMCMGE-NZSAHSFTSA-N 2 1 288.479 3.574 20 0 CHADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)Cc1ccccc1 ZINC000248676044 334312795 /nfs/dbraw/zinc/31/27/95/334312795.db2.gz AFRAJUIRFMCMGE-WDSOQIARSA-N 2 1 288.479 3.574 20 0 CHADMP C[C@@H]1CCCc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000248749135 334315890 /nfs/dbraw/zinc/31/58/90/334315890.db2.gz FRBTUEWMQXWMNC-MJKGWSOKSA-N 2 1 298.474 3.917 20 0 CHADMP C[C@H](CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000248872467 334320170 /nfs/dbraw/zinc/32/01/70/334320170.db2.gz IEOLZAIFFRFSIG-MSOLQXFVSA-N 2 1 286.463 3.598 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCc3occc32)C1 ZINC000248877626 334320376 /nfs/dbraw/zinc/32/03/76/334320376.db2.gz JTMBPZWVAHTFEE-WBVHZDCISA-N 2 1 290.451 3.759 20 0 CHADMP Clc1cc2c(s1)CC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250772535 334349855 /nfs/dbraw/zinc/34/98/55/334349855.db2.gz NVVIDNJEPDJKDD-GVXVVHGQSA-N 2 1 296.867 3.605 20 0 CHADMP Clc1cc2c(s1)CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250772535 334349856 /nfs/dbraw/zinc/34/98/56/334349856.db2.gz NVVIDNJEPDJKDD-GVXVVHGQSA-N 2 1 296.867 3.605 20 0 CHADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000251798971 334369848 /nfs/dbraw/zinc/36/98/48/334369848.db2.gz GFLGAJHXMDNPEN-XYPHTWIQSA-N 2 1 278.415 3.595 20 0 CHADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000251798971 334369850 /nfs/dbraw/zinc/36/98/50/334369850.db2.gz GFLGAJHXMDNPEN-XYPHTWIQSA-N 2 1 278.415 3.595 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(C)cc2)C2CC2)C1 ZINC000091305947 334375961 /nfs/dbraw/zinc/37/59/61/334375961.db2.gz ANOQLZNYPUDACM-LPHOPBHVSA-N 2 1 286.463 3.768 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000091333255 334376424 /nfs/dbraw/zinc/37/64/24/334376424.db2.gz SLBAPKIMAPXUNV-LPHOPBHVSA-N 2 1 286.463 3.848 20 0 CHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccccc1F ZINC000252213674 334377019 /nfs/dbraw/zinc/37/70/19/334377019.db2.gz XBLGZASWTBNITQ-HUUCEWRRSA-N 2 1 278.415 3.741 20 0 CHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccccc1F ZINC000252213674 334377021 /nfs/dbraw/zinc/37/70/21/334377021.db2.gz XBLGZASWTBNITQ-HUUCEWRRSA-N 2 1 278.415 3.741 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000252211587 334377036 /nfs/dbraw/zinc/37/70/36/334377036.db2.gz YGJAPLBNHYHMIN-YVSFHVDLSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000252211587 334377037 /nfs/dbraw/zinc/37/70/37/334377037.db2.gz YGJAPLBNHYHMIN-YVSFHVDLSA-N 2 1 266.473 3.664 20 0 CHADMP Clc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000252673292 334384924 /nfs/dbraw/zinc/38/49/24/334384924.db2.gz IMTSXFWRHDCSIA-STQMWFEESA-N 2 1 299.245 3.710 20 0 CHADMP Clc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000252673292 334384926 /nfs/dbraw/zinc/38/49/26/334384926.db2.gz IMTSXFWRHDCSIA-STQMWFEESA-N 2 1 299.245 3.710 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000271710937 334745995 /nfs/dbraw/zinc/74/59/95/334745995.db2.gz MRGIHHVOCCALFN-INIZCTEOSA-N 2 1 289.810 3.586 20 0 CHADMP CC(C)Cc1ccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000276710914 334804735 /nfs/dbraw/zinc/80/47/35/334804735.db2.gz VPYQJARLFBYPPN-HNNXBMFYSA-N 2 1 285.435 3.512 20 0 CHADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000576777479 335247033 /nfs/dbraw/zinc/24/70/33/335247033.db2.gz RYEPYFXXZDPPFA-OWYHZJEWSA-N 2 1 286.463 3.818 20 0 CHADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000576777479 335247034 /nfs/dbraw/zinc/24/70/34/335247034.db2.gz RYEPYFXXZDPPFA-OWYHZJEWSA-N 2 1 286.463 3.818 20 0 CHADMP c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000577226825 335326249 /nfs/dbraw/zinc/32/62/49/335326249.db2.gz SEQGJLLGTCKBKP-FQEVSTJZSA-N 2 1 292.426 3.669 20 0 CHADMP FC(F)(F)CC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000577421985 335351044 /nfs/dbraw/zinc/35/10/44/335351044.db2.gz NTXIORSFBYHJEG-UHFFFAOYSA-N 2 1 292.389 3.527 20 0 CHADMP CC1CCC([NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000577434199 335351893 /nfs/dbraw/zinc/35/18/93/335351893.db2.gz BAQKENHZMBDCCJ-HWOWSKLDSA-N 2 1 266.473 3.665 20 0 CHADMP CC1CCC([NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000577434199 335351894 /nfs/dbraw/zinc/35/18/94/335351894.db2.gz BAQKENHZMBDCCJ-HWOWSKLDSA-N 2 1 266.473 3.665 20 0 CHADMP CC[C@H](C[N@@H+](CC)CCCc1cncn1C)c1ccccc1 ZINC000577741860 335395315 /nfs/dbraw/zinc/39/53/15/335395315.db2.gz IOKKJNVDOMMBQU-QGZVFWFLSA-N 2 1 299.462 3.868 20 0 CHADMP CC[C@H](C[N@H+](CC)CCCc1c[nH+]cn1C)c1ccccc1 ZINC000577741860 335395316 /nfs/dbraw/zinc/39/53/16/335395316.db2.gz IOKKJNVDOMMBQU-QGZVFWFLSA-N 2 1 299.462 3.868 20 0 CHADMP CC[C@H](C[N@@H+](CC)CCCc1c[nH+]cn1C)c1ccccc1 ZINC000577741860 335395317 /nfs/dbraw/zinc/39/53/17/335395317.db2.gz IOKKJNVDOMMBQU-QGZVFWFLSA-N 2 1 299.462 3.868 20 0 CHADMP CC[C@H](Cc1ccc(C)cc1)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000178699293 335445804 /nfs/dbraw/zinc/44/58/04/335445804.db2.gz VKPXBRVYGVEBLZ-VQIMIIECSA-N 2 1 299.462 3.747 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCc2ccc(C)cc21 ZINC000178957545 335465474 /nfs/dbraw/zinc/46/54/74/335465474.db2.gz AUTKJVPAEHYMJQ-KXBFYZLASA-N 2 1 297.446 3.803 20 0 CHADMP CN1CCC([N@H+](Cc2ccccc2)C[C@@H]2CC=CCC2)CC1 ZINC000581456216 336080238 /nfs/dbraw/zinc/08/02/38/336080238.db2.gz VNYURLKIQUTLAQ-LJQANCHMSA-N 2 1 298.474 3.939 20 0 CHADMP C[NH+]1CCC([N@@H+](Cc2ccccc2)C[C@@H]2CC=CCC2)CC1 ZINC000581456216 336080239 /nfs/dbraw/zinc/08/02/39/336080239.db2.gz VNYURLKIQUTLAQ-LJQANCHMSA-N 2 1 298.474 3.939 20 0 CHADMP C[NH+]1CCC([N@H+](Cc2ccccc2)C[C@@H]2CC=CCC2)CC1 ZINC000581456216 336080240 /nfs/dbraw/zinc/08/02/40/336080240.db2.gz VNYURLKIQUTLAQ-LJQANCHMSA-N 2 1 298.474 3.939 20 0 CHADMP CC(C)CC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CCCC1 ZINC000382871959 336098280 /nfs/dbraw/zinc/09/82/80/336098280.db2.gz IWSQEGAVPANEPQ-HZPDHXFCSA-N 2 1 266.473 3.523 20 0 CHADMP CC[C@@H](c1ccncc1)[N@@H+](C)CCCc1ccc(C)nc1 ZINC000581852183 336151651 /nfs/dbraw/zinc/15/16/51/336151651.db2.gz VAWZZXBURHPJKE-SFHVURJKSA-N 2 1 283.419 3.801 20 0 CHADMP Cc1cc(Cl)cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000581932065 336171830 /nfs/dbraw/zinc/17/18/30/336171830.db2.gz FWTFEDDUJVLIND-UHFFFAOYSA-N 2 1 292.854 3.755 20 0 CHADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000211860153 518709643 /nfs/dbraw/zinc/70/96/43/518709643.db2.gz DOLCYLVLARCIGH-QGZVFWFLSA-N 2 1 290.426 3.666 20 0 CHADMP CC(C)(C)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000149735676 519032661 /nfs/dbraw/zinc/03/26/61/519032661.db2.gz QZAFOWNHQHTNAD-ZIAGYGMSSA-N 2 1 292.492 3.762 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](C)c2ccccc2)CC1 ZINC000265364588 519669912 /nfs/dbraw/zinc/66/99/12/519669912.db2.gz YFCRTHZNEXXPAY-MRXNPFEDSA-N 2 1 274.452 3.595 20 0 CHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)cn2)C1 ZINC000274880331 519678448 /nfs/dbraw/zinc/67/84/48/519678448.db2.gz HJJRIDYJPJGONG-UONOGXRCSA-N 2 1 295.858 3.506 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)cn2)C1 ZINC000274880331 519678450 /nfs/dbraw/zinc/67/84/50/519678450.db2.gz HJJRIDYJPJGONG-UONOGXRCSA-N 2 1 295.858 3.506 20 0 CHADMP CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000275491052 519839145 /nfs/dbraw/zinc/83/91/45/519839145.db2.gz JBICBQWVYJAYKN-CVEARBPZSA-N 2 1 297.446 3.920 20 0 CHADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2oc3ccccc3c2C)C1 ZINC000037644450 521711354 /nfs/dbraw/zinc/71/13/54/521711354.db2.gz PHFRVMKEHJVFJS-GJZGRUSLSA-N 2 1 286.419 3.734 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2oc3ccccc3c2C)C1 ZINC000037644450 521711355 /nfs/dbraw/zinc/71/13/55/521711355.db2.gz PHFRVMKEHJVFJS-GJZGRUSLSA-N 2 1 286.419 3.734 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C(F)F)c2)[C@@H](C)C1 ZINC000279185627 521720291 /nfs/dbraw/zinc/72/02/91/521720291.db2.gz CCPKUXOXRKIYHZ-BBRMVZONSA-N 2 1 296.405 3.786 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C(F)F)c2)[C@@H](C)C1 ZINC000279185627 521720292 /nfs/dbraw/zinc/72/02/92/521720292.db2.gz CCPKUXOXRKIYHZ-BBRMVZONSA-N 2 1 296.405 3.786 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C(F)F)c2)[C@@H](C)C1 ZINC000279185627 521720294 /nfs/dbraw/zinc/72/02/94/521720294.db2.gz CCPKUXOXRKIYHZ-BBRMVZONSA-N 2 1 296.405 3.786 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@@H+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000277085307 522097985 /nfs/dbraw/zinc/09/79/85/522097985.db2.gz FOILBNAZSJPBDD-SUMWQHHRSA-N 2 1 292.854 3.743 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@H+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000277085307 522097997 /nfs/dbraw/zinc/09/79/97/522097997.db2.gz FOILBNAZSJPBDD-SUMWQHHRSA-N 2 1 292.854 3.743 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc3ccccc3s2)CC1 ZINC000277331907 522099010 /nfs/dbraw/zinc/09/90/10/522099010.db2.gz VQPBLSGCFOHOAZ-HNNXBMFYSA-N 2 1 288.460 3.817 20 0 CHADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(C(F)F)c3)CC[C@@H]21 ZINC000279736572 523857159 /nfs/dbraw/zinc/85/71/59/523857159.db2.gz OKHZQUWPVDPDTK-HOTGVXAUSA-N 2 1 294.389 3.540 20 0 CHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(C(F)F)c3)CC[C@@H]21 ZINC000279736572 523857161 /nfs/dbraw/zinc/85/71/61/523857161.db2.gz OKHZQUWPVDPDTK-HOTGVXAUSA-N 2 1 294.389 3.540 20 0 CHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(C(F)F)c3)CC[C@@H]21 ZINC000279736572 523857164 /nfs/dbraw/zinc/85/71/64/523857164.db2.gz OKHZQUWPVDPDTK-HOTGVXAUSA-N 2 1 294.389 3.540 20 0 CHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(C(F)F)c3)CC[C@@H]21 ZINC000279736572 523857167 /nfs/dbraw/zinc/85/71/67/523857167.db2.gz OKHZQUWPVDPDTK-HOTGVXAUSA-N 2 1 294.389 3.540 20 0 CHADMP CCc1ccc([C@H](CC)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000156568816 524048266 /nfs/dbraw/zinc/04/82/66/524048266.db2.gz KPIIDHVZCXHACW-JLSDUUJJSA-N 2 1 274.452 3.772 20 0 CHADMP CCc1ccc([C@H](CC)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000156568816 524048267 /nfs/dbraw/zinc/04/82/67/524048267.db2.gz KPIIDHVZCXHACW-JLSDUUJJSA-N 2 1 274.452 3.772 20 0 CHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccco3)cc2)C1 ZINC000069681499 524096815 /nfs/dbraw/zinc/09/68/15/524096815.db2.gz KOAXITHRGFUGPI-INIZCTEOSA-N 2 1 298.430 3.801 20 0 CHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccco1 ZINC000069706877 524115750 /nfs/dbraw/zinc/11/57/50/524115750.db2.gz VTUXCQAEULMQGE-MRXNPFEDSA-N 2 1 298.430 3.944 20 0 CHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccco1 ZINC000069706877 524115756 /nfs/dbraw/zinc/11/57/56/524115756.db2.gz VTUXCQAEULMQGE-MRXNPFEDSA-N 2 1 298.430 3.944 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc2ccccc2o1 ZINC000037649215 525415225 /nfs/dbraw/zinc/41/52/25/525415225.db2.gz YEVPIGLQYVWGMM-UONOGXRCSA-N 2 1 284.403 3.568 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc2ccccc2o1 ZINC000037649215 525415236 /nfs/dbraw/zinc/41/52/36/525415236.db2.gz YEVPIGLQYVWGMM-UONOGXRCSA-N 2 1 284.403 3.568 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2ccccc2o1 ZINC000130241524 525642748 /nfs/dbraw/zinc/64/27/48/525642748.db2.gz DILJQEMXINZUNJ-FVQBIDKESA-N 2 1 284.403 3.710 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc2ccccc2o1 ZINC000130241524 525642756 /nfs/dbraw/zinc/64/27/56/525642756.db2.gz DILJQEMXINZUNJ-FVQBIDKESA-N 2 1 284.403 3.710 20 0 CHADMP Cc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000125833523 525868602 /nfs/dbraw/zinc/86/86/02/525868602.db2.gz ROVLIPWLSNWMRH-CABCVRRESA-N 2 1 280.481 3.828 20 0 CHADMP Cc1ccsc1[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000070981950 525887704 /nfs/dbraw/zinc/88/77/04/525887704.db2.gz FSCJGYRGNMCSPE-ZDUSSCGKSA-N 2 1 266.454 3.580 20 0 CHADMP CSc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000299371148 526001792 /nfs/dbraw/zinc/00/17/92/526001792.db2.gz YMLNPJFDJMFMDP-UHFFFAOYSA-N 2 1 290.476 3.515 20 0 CHADMP CSc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000037140885 526057738 /nfs/dbraw/zinc/05/77/38/526057738.db2.gz JANSIJRKINFAHQ-CYBMUJFWSA-N 2 1 290.476 3.686 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527624 526070459 /nfs/dbraw/zinc/07/04/59/526070459.db2.gz BUYASQPRJLQELC-HUUCEWRRSA-N 2 1 268.404 3.572 20 0 CHADMP CSc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000037140884 526071861 /nfs/dbraw/zinc/07/18/61/526071861.db2.gz JANSIJRKINFAHQ-ZDUSSCGKSA-N 2 1 290.476 3.686 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277082976 526078916 /nfs/dbraw/zinc/07/89/16/526078916.db2.gz FJKLWDXJJQNWIW-CJNGLKHVSA-N 2 1 280.843 3.817 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277082976 526078921 /nfs/dbraw/zinc/07/89/21/526078921.db2.gz FJKLWDXJJQNWIW-CJNGLKHVSA-N 2 1 280.843 3.817 20 0 CHADMP Cc1sccc1C[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000339289060 526913377 /nfs/dbraw/zinc/91/33/77/526913377.db2.gz CZPHIQZZYPPZAA-UHFFFAOYSA-N 2 1 268.470 3.655 20 0 CHADMP Cc1sccc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000339342451 526919194 /nfs/dbraw/zinc/91/91/94/526919194.db2.gz HMAGVCKKGAMHTM-CJNGLKHVSA-N 2 1 292.492 3.799 20 0 CHADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccccc32)c2ccccc21 ZINC000227535371 527376924 /nfs/dbraw/zinc/37/69/24/527376924.db2.gz AGNDVKUMZFMNQG-QRVBRYPASA-N 2 1 278.399 3.798 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000289620440 527403881 /nfs/dbraw/zinc/40/38/81/527403881.db2.gz WIGGLCMAQSFSFL-YOEHRIQHSA-N 2 1 275.440 3.554 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000275845504 527422489 /nfs/dbraw/zinc/42/24/89/527422489.db2.gz KCSLRMVMZQYYIE-RTBURBONSA-N 2 1 297.446 3.682 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000280812712 527432260 /nfs/dbraw/zinc/43/22/60/527432260.db2.gz IEXFFBKENTUIHK-STQMWFEESA-N 2 1 291.826 3.627 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3occc3c2)C[C@@H]1C ZINC000347862566 527834166 /nfs/dbraw/zinc/83/41/66/527834166.db2.gz LQLLGZWKCGJTBK-YOEHRIQHSA-N 2 1 286.419 3.737 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3occc3c2)C[C@@H]1C ZINC000347862566 527834171 /nfs/dbraw/zinc/83/41/71/527834171.db2.gz LQLLGZWKCGJTBK-YOEHRIQHSA-N 2 1 286.419 3.737 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3occc3c2)C[C@@H]1C ZINC000347862566 527834176 /nfs/dbraw/zinc/83/41/76/527834176.db2.gz LQLLGZWKCGJTBK-YOEHRIQHSA-N 2 1 286.419 3.737 20 0 CHADMP CCSc1cccc(C[N@H+](C)C2CC[NH+](CC)CC2)c1 ZINC000351998164 529249668 /nfs/dbraw/zinc/24/96/68/529249668.db2.gz XSOLTJYXGCMGOO-UHFFFAOYSA-N 2 1 292.492 3.715 20 0 CHADMP CCSc1cccc(C[N@@H+](C)C2CC[NH+](CC)CC2)c1 ZINC000351998164 529249670 /nfs/dbraw/zinc/24/96/70/529249670.db2.gz XSOLTJYXGCMGOO-UHFFFAOYSA-N 2 1 292.492 3.715 20 0 CHADMP CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000341890005 535644740 /nfs/dbraw/zinc/64/47/40/535644740.db2.gz FSKXIOBUERLXEJ-CHWSQXEVSA-N 2 1 289.398 3.844 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCCCC1 ZINC000222024931 1125471794 /nfs/dbraw/zinc/47/17/94/1125471794.db2.gz PXHOCDZPBORMQC-ULQDDVLXSA-N 2 1 264.457 3.562 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)C1CCCCC1 ZINC000222024931 1125471796 /nfs/dbraw/zinc/47/17/96/1125471796.db2.gz PXHOCDZPBORMQC-ULQDDVLXSA-N 2 1 264.457 3.562 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCCCC(F)(F)C2)CC1(C)C ZINC000623529463 1117867542 /nfs/dbraw/zinc/86/75/42/1117867542.db2.gz JGBTZBSKPJVVQT-UONOGXRCSA-N 2 1 288.426 3.664 20 0 CHADMP CC(C)[C@H](C[NH2+][C@@H](C)CSC(C)(C)C)[NH+]1CCCC1 ZINC000764839274 1118120418 /nfs/dbraw/zinc/12/04/18/1118120418.db2.gz AOWXKDSGKNGLJM-GJZGRUSLSA-N 2 1 286.529 3.617 20 0 CHADMP C[N@@H+](Cc1cccc(Cl)c1Cl)C1CCC([NH3+])CC1 ZINC000091844622 1118835238 /nfs/dbraw/zinc/83/52/38/1118835238.db2.gz NSFKFYNBKQDDBY-UHFFFAOYSA-N 2 1 287.234 3.695 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)s1 ZINC000414172585 1119926268 /nfs/dbraw/zinc/92/62/68/1119926268.db2.gz FMCVAOCRNVDJKY-VXGBXAGGSA-N 2 1 286.872 3.784 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432409937 1121056019 /nfs/dbraw/zinc/05/60/19/1121056019.db2.gz KJHCWCYJKBQALH-OKZBNKHCSA-N 2 1 298.515 3.538 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432409937 1121056028 /nfs/dbraw/zinc/05/60/28/1121056028.db2.gz KJHCWCYJKBQALH-OKZBNKHCSA-N 2 1 298.515 3.538 20 0 CHADMP CCc1ccc(C[N@H+](CC)CCC[NH+](CC)CC)cc1 ZINC001181506012 1122060188 /nfs/dbraw/zinc/06/01/88/1122060188.db2.gz MOQUAAOVUGMYSJ-UHFFFAOYSA-N 2 1 276.468 3.803 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H](C)C1CCCCC1 ZINC001181514232 1122060348 /nfs/dbraw/zinc/06/03/48/1122060348.db2.gz BRFPCCNMZZSGOS-INIZCTEOSA-N 2 1 268.489 3.867 20 0 CHADMP CC(C)CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000449176724 1124660960 /nfs/dbraw/zinc/66/09/60/1124660960.db2.gz UEWQBABFLODTEZ-WCXIOVBPSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000449176724 1124660965 /nfs/dbraw/zinc/66/09/65/1124660965.db2.gz UEWQBABFLODTEZ-WCXIOVBPSA-N 2 1 266.473 3.664 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCC2=CCCCC2)[C@H](C)C1 ZINC000450559361 1125057938 /nfs/dbraw/zinc/05/79/38/1125057938.db2.gz FIFZRAIJFALMSX-WBVHZDCISA-N 2 1 264.457 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCC2=CCCCC2)[C@H](C)C1 ZINC000450559361 1125057945 /nfs/dbraw/zinc/05/79/45/1125057945.db2.gz FIFZRAIJFALMSX-WBVHZDCISA-N 2 1 264.457 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC2=CCCCC2)[C@H](C)C1 ZINC000450559361 1125057952 /nfs/dbraw/zinc/05/79/52/1125057952.db2.gz FIFZRAIJFALMSX-WBVHZDCISA-N 2 1 264.457 3.539 20 0 CHADMP C[N@@H+](CCCC[NH2+]C1CCCCCCC1)C1CC1 ZINC000834909008 1131729852 /nfs/dbraw/zinc/72/98/52/1131729852.db2.gz IECWITWLROSWAD-UHFFFAOYSA-N 2 1 252.446 3.563 20 0 CHADMP CCCC[NH+]1CCC([NH2+]Cc2cccc(Cl)c2)CC1 ZINC000037150293 1132003072 /nfs/dbraw/zinc/00/30/72/1132003072.db2.gz LDPNKPXGZASEJM-UHFFFAOYSA-N 2 1 280.843 3.694 20 0 CHADMP CC[C@H](CC(C)C)[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001172405846 1132196903 /nfs/dbraw/zinc/19/69/03/1132196903.db2.gz COXSSARVBOYKDB-QGZVFWFLSA-N 2 1 268.489 3.863 20 0 CHADMP CCCC[C@H](CC(C)C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001173259889 1132427298 /nfs/dbraw/zinc/42/72/98/1132427298.db2.gz MYHAGIDDBNEJBJ-SJORKVTESA-N 2 1 266.473 3.619 20 0 CHADMP CCCC[C@H](CC(C)C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001173259889 1132427304 /nfs/dbraw/zinc/42/73/04/1132427304.db2.gz MYHAGIDDBNEJBJ-SJORKVTESA-N 2 1 266.473 3.619 20 0 CHADMP CCSC[C@@H](C)[N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173300214 1132447287 /nfs/dbraw/zinc/44/72/87/1132447287.db2.gz ZPIITEFTEZSLCG-DJIMGWMZSA-N 2 1 298.540 3.890 20 0 CHADMP CSc1cccc(Cl)c1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206640483 1132568866 /nfs/dbraw/zinc/56/88/66/1132568866.db2.gz KCNRNLGBMSOVJB-GFCCVEGCSA-N 2 1 298.883 3.623 20 0 CHADMP CC[N@H+](CCCc1ccccc1Cl)CCC[NH+](C)C ZINC001208873650 1133955915 /nfs/dbraw/zinc/95/59/15/1133955915.db2.gz BGJBJUPKJSCHQV-UHFFFAOYSA-N 2 1 282.859 3.546 20 0 CHADMP Cc1cccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c1C ZINC000119656200 1125535391 /nfs/dbraw/zinc/53/53/91/1125535391.db2.gz GLPJZODOKIEESP-OAHLLOKOSA-N 2 1 272.436 3.581 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000121504818 1125560861 /nfs/dbraw/zinc/56/08/61/1125560861.db2.gz YDXJPUIJNAZLSY-QWHCGFSZSA-N 2 1 291.826 3.832 20 0 CHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000237668226 1125566613 /nfs/dbraw/zinc/56/66/13/1125566613.db2.gz KBMFIURDDOOACT-INIZCTEOSA-N 2 1 299.462 3.770 20 0 CHADMP CCCCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134872158 1125567984 /nfs/dbraw/zinc/56/79/84/1125567984.db2.gz OKYYRLXRPXQXIA-NVXWUHKLSA-N 2 1 264.457 3.515 20 0 CHADMP CCCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134872158 1125567989 /nfs/dbraw/zinc/56/79/89/1125567989.db2.gz OKYYRLXRPXQXIA-NVXWUHKLSA-N 2 1 264.457 3.515 20 0 CHADMP CCCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134872158 1125567994 /nfs/dbraw/zinc/56/79/94/1125567994.db2.gz OKYYRLXRPXQXIA-NVXWUHKLSA-N 2 1 264.457 3.515 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000245593755 1125584540 /nfs/dbraw/zinc/58/45/40/1125584540.db2.gz LCUFQHSSGBMBRR-VQIMIIECSA-N 2 1 297.446 3.850 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000245593755 1125584544 /nfs/dbraw/zinc/58/45/44/1125584544.db2.gz LCUFQHSSGBMBRR-VQIMIIECSA-N 2 1 297.446 3.850 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](F)C2)cc1 ZINC000348335418 1125593239 /nfs/dbraw/zinc/59/32/39/1125593239.db2.gz QNZRNOKBPPZGMA-MAZHCROVSA-N 2 1 287.382 3.722 20 0 CHADMP Cc1ccncc1[C@@H](C)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925291649 1125611991 /nfs/dbraw/zinc/61/19/91/1125611991.db2.gz CVOMJOCYSBOINS-MRXNPFEDSA-N 2 1 289.467 3.551 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccccc2C(C)(C)C)C1 ZINC000533638712 1125619913 /nfs/dbraw/zinc/61/99/13/1125619913.db2.gz MOPDLRMCLFBBSW-CVEARBPZSA-N 2 1 288.479 3.977 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c2ccccc21 ZINC000246556050 1125645724 /nfs/dbraw/zinc/64/57/24/1125645724.db2.gz WWORSJKFUUTNEC-WCVDCBDPSA-N 2 1 286.463 3.943 20 0 CHADMP CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1OC ZINC000246834450 1125650010 /nfs/dbraw/zinc/65/00/10/1125650010.db2.gz BGOFVSHJUGRCOK-UXLLHSPISA-N 2 1 290.451 3.609 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)o1 ZINC000246976831 1125651667 /nfs/dbraw/zinc/65/16/67/1125651667.db2.gz JKMCDQOPGSZGCJ-ZBFHGGJFSA-N 2 1 278.440 3.893 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000886121195 1125653149 /nfs/dbraw/zinc/65/31/49/1125653149.db2.gz XMCJMNAHPATHPS-IRXDYDNUSA-N 2 1 296.499 3.578 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000886121195 1125653153 /nfs/dbraw/zinc/65/31/53/1125653153.db2.gz XMCJMNAHPATHPS-IRXDYDNUSA-N 2 1 296.499 3.578 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)c2ccc(F)cc2)C1 ZINC000246924150 1125654337 /nfs/dbraw/zinc/65/43/37/1125654337.db2.gz GWGZSWRBERPTLQ-RHSMWYFYSA-N 2 1 278.415 3.598 20 0 CHADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000248145791 1125663710 /nfs/dbraw/zinc/66/37/10/1125663710.db2.gz ZPWJQYGGVLXCBC-KZNAEPCWSA-N 2 1 286.463 3.657 20 0 CHADMP Cc1ccccc1[C@@H]1C[C@@H](C)[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000248145791 1125663712 /nfs/dbraw/zinc/66/37/12/1125663712.db2.gz ZPWJQYGGVLXCBC-KZNAEPCWSA-N 2 1 286.463 3.657 20 0 CHADMP Cc1ccccc1[C@@H]1C[C@@H](C)[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000248145791 1125663716 /nfs/dbraw/zinc/66/37/16/1125663716.db2.gz ZPWJQYGGVLXCBC-KZNAEPCWSA-N 2 1 286.463 3.657 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)C(C)(C)C)CC1 ZINC000162156501 1125739846 /nfs/dbraw/zinc/73/98/46/1125739846.db2.gz FZWAEBNHNAJMMV-INIZCTEOSA-N 2 1 288.479 3.984 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261769220 1125743209 /nfs/dbraw/zinc/74/32/09/1125743209.db2.gz MLWKRTOIMZOASO-VBQJREDUSA-N 2 1 294.870 3.763 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000091321087 1125750481 /nfs/dbraw/zinc/75/04/81/1125750481.db2.gz UCFPZANOBJVSMQ-KBXCAEBGSA-N 2 1 283.419 3.569 20 0 CHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc(Cl)cs2)CC1 ZINC000093094795 1125764495 /nfs/dbraw/zinc/76/44/95/1125764495.db2.gz TVZKBKJQSSBIEC-UHFFFAOYSA-N 2 1 286.872 3.754 20 0 CHADMP C/C(=C\c1ccccc1)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093644475 1125770030 /nfs/dbraw/zinc/77/00/30/1125770030.db2.gz ZEEMMCULJYRGNV-NJMKNOHLSA-N 2 1 272.436 3.504 20 0 CHADMP C/C(=C\c1ccccc1)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093644475 1125770032 /nfs/dbraw/zinc/77/00/32/1125770032.db2.gz ZEEMMCULJYRGNV-NJMKNOHLSA-N 2 1 272.436 3.504 20 0 CHADMP C/C(=C\c1ccccc1)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644475 1125770037 /nfs/dbraw/zinc/77/00/37/1125770037.db2.gz ZEEMMCULJYRGNV-NJMKNOHLSA-N 2 1 272.436 3.504 20 0 CHADMP C/C(=C\c1ccccc1)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644475 1125770044 /nfs/dbraw/zinc/77/00/44/1125770044.db2.gz ZEEMMCULJYRGNV-NJMKNOHLSA-N 2 1 272.436 3.504 20 0 CHADMP CCSc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CC)C2)cc1 ZINC000533785290 1125781936 /nfs/dbraw/zinc/78/19/36/1125781936.db2.gz RBHPTSYPZMIXRX-LSDHHAIUSA-N 2 1 292.492 3.791 20 0 CHADMP C[C@H](CC1CC1)[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001258473632 1129408677 /nfs/dbraw/zinc/40/86/77/1129408677.db2.gz PFSQJSRWRIZTKT-PVAVHDDUSA-N 2 1 264.457 3.514 20 0 CHADMP C[C@H](CC1CC1)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001258473632 1129408678 /nfs/dbraw/zinc/40/86/78/1129408678.db2.gz PFSQJSRWRIZTKT-PVAVHDDUSA-N 2 1 264.457 3.514 20 0 CHADMP C[C@H](CC1CC1)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001258473632 1129408681 /nfs/dbraw/zinc/40/86/81/1129408681.db2.gz PFSQJSRWRIZTKT-PVAVHDDUSA-N 2 1 264.457 3.514 20 0 CHADMP CC[NH+]1CCC([N@H+](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC001169266385 1129712066 /nfs/dbraw/zinc/71/20/66/1129712066.db2.gz WGXQESVVLDRUNB-ZDUSSCGKSA-N 2 1 280.843 3.817 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC001169266385 1129712068 /nfs/dbraw/zinc/71/20/68/1129712068.db2.gz WGXQESVVLDRUNB-ZDUSSCGKSA-N 2 1 280.843 3.817 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)C1CCCCCC1 ZINC000338012701 1126709621 /nfs/dbraw/zinc/70/96/21/1126709621.db2.gz MOXYCHJMDAFRRW-AWEZNQCLSA-N 2 1 263.429 3.530 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000338012962 1126710780 /nfs/dbraw/zinc/71/07/80/1126710780.db2.gz CCUSXLPAZWQZSL-RDTXWAMCSA-N 2 1 283.419 3.810 20 0 CHADMP CCCc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000338021579 1126711384 /nfs/dbraw/zinc/71/13/84/1126711384.db2.gz WGIAFAUKMNVMPD-HNNXBMFYSA-N 2 1 285.435 3.885 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](C)CCc2c[nH]c3ccccc23)CC1 ZINC000631578925 1126722131 /nfs/dbraw/zinc/72/21/31/1126722131.db2.gz BGDMJAFGLJFFLT-HNNXBMFYSA-N 2 1 299.462 3.563 20 0 CHADMP Cc1cc2[nH]c(C[N@@H+](C)CC3CC[NH+](C)CC3)cc2c(C)c1 ZINC000482018939 1126740018 /nfs/dbraw/zinc/74/00/18/1126740018.db2.gz SGCNSDOIPYTTQH-UHFFFAOYSA-N 2 1 299.462 3.558 20 0 CHADMP Cc1ccc2cc(C[N@@H+]3CCCC34CC[NH+](C)CC4)[nH]c2c1 ZINC000668027180 1126754034 /nfs/dbraw/zinc/75/40/34/1126754034.db2.gz FESRKKWJEFRYFC-UHFFFAOYSA-N 2 1 297.446 3.537 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)o1 ZINC000483158467 1126770800 /nfs/dbraw/zinc/77/08/00/1126770800.db2.gz UQGDJDWUOSDTHO-CZUORRHYSA-N 2 1 280.456 3.859 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)CCCC2CCCC2)CC1 ZINC000483273114 1126777697 /nfs/dbraw/zinc/77/76/97/1126777697.db2.gz XMTHWMLOYMYEPY-UHFFFAOYSA-N 2 1 266.473 3.761 20 0 CHADMP CC[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000251808052 1126796236 /nfs/dbraw/zinc/79/62/36/1126796236.db2.gz OKUQMXJNKFPZOX-VQTPCSAVSA-N 2 1 278.484 3.950 20 0 CHADMP CC[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000251808052 1126796238 /nfs/dbraw/zinc/79/62/38/1126796238.db2.gz OKUQMXJNKFPZOX-VQTPCSAVSA-N 2 1 278.484 3.950 20 0 CHADMP Clc1c[nH+]ccc1NC1CC[NH+](C2CCCC2)CC1 ZINC000176949115 1126795677 /nfs/dbraw/zinc/79/56/77/1126795677.db2.gz ISQMBYHQOHPJGK-UHFFFAOYSA-N 2 1 279.815 3.554 20 0 CHADMP Cc1ccc(C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C(C)C)cc1 ZINC000483731811 1126798667 /nfs/dbraw/zinc/79/86/67/1126798667.db2.gz REVJYZUEYFXJSP-QRQLOZEOSA-N 2 1 288.479 3.634 20 0 CHADMP Cc1ccc(C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C(C)C)cc1 ZINC000483731811 1126798670 /nfs/dbraw/zinc/79/86/70/1126798670.db2.gz REVJYZUEYFXJSP-QRQLOZEOSA-N 2 1 288.479 3.634 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccccc1Cl ZINC000177295601 1126799929 /nfs/dbraw/zinc/79/99/29/1126799929.db2.gz AUPJUFILTWKQDD-CHWSQXEVSA-N 2 1 291.826 3.832 20 0 CHADMP CCC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H](C)c1cc2ccccc2o1 ZINC000904313739 1126844063 /nfs/dbraw/zinc/84/40/63/1126844063.db2.gz ZEEAMIZZHISZSF-OFQRWUPVSA-N 2 1 286.419 3.943 20 0 CHADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]2c2cccc3ccccc32)C1 ZINC000904311715 1126844518 /nfs/dbraw/zinc/84/45/18/1126844518.db2.gz ABOLZGUXJHJEJO-GMBSWORKSA-N 2 1 280.415 3.714 20 0 CHADMP [NH3+]C1(C[NH2+]Cc2ccc(C(F)F)c(F)c2)CCCCC1 ZINC000904353411 1126847990 /nfs/dbraw/zinc/84/79/90/1126847990.db2.gz LYPHSOZMIWIZHH-UHFFFAOYSA-N 2 1 286.341 3.515 20 0 CHADMP CC1(C)[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C[C@H]1c1ccccc1 ZINC000181011406 1126851577 /nfs/dbraw/zinc/85/15/77/1126851577.db2.gz LZIGUWNLKFJURN-SNRMKQJTSA-N 2 1 298.474 3.643 20 0 CHADMP CC[C@@H](CSc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000181666977 1126860024 /nfs/dbraw/zinc/86/00/24/1126860024.db2.gz PLRHBWRKSNKRKK-PMPSAXMXSA-N 2 1 292.492 3.630 20 0 CHADMP CC[C@@H](CSc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181666977 1126860028 /nfs/dbraw/zinc/86/00/28/1126860028.db2.gz PLRHBWRKSNKRKK-PMPSAXMXSA-N 2 1 292.492 3.630 20 0 CHADMP c1ccc(C[C@H]2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000189048770 1126928202 /nfs/dbraw/zinc/92/82/02/1126928202.db2.gz WWCLITQMCIRGLJ-IYWMVGAKSA-N 2 1 298.474 3.614 20 0 CHADMP CC(C)C[NH+]1CCC([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000485685272 1126942896 /nfs/dbraw/zinc/94/28/96/1126942896.db2.gz PFWVZMAKZUVDHE-UHFFFAOYSA-N 2 1 298.833 3.689 20 0 CHADMP Cc1cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc(C)c1Cl ZINC001236214574 1130890754 /nfs/dbraw/zinc/89/07/54/1130890754.db2.gz GADIMZJINLZAPD-GJZGRUSLSA-N 2 1 280.843 3.659 20 0 CHADMP Cc1cc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc(C)c1Cl ZINC001236214574 1130890761 /nfs/dbraw/zinc/89/07/61/1130890761.db2.gz GADIMZJINLZAPD-GJZGRUSLSA-N 2 1 280.843 3.659 20 0 CHADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(F)cc1F ZINC000268901873 1127028278 /nfs/dbraw/zinc/02/82/78/1127028278.db2.gz WUZKLDNZVACMCK-INIZCTEOSA-N 2 1 293.361 3.601 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CC1(C)C ZINC000487555987 1127034535 /nfs/dbraw/zinc/03/45/35/1127034535.db2.gz UGHZOXAMOCWCRO-IVSAIRAKSA-N 2 1 278.484 3.664 20 0 CHADMP CC(C)[NH+]1CCC([N@H+](C)C/C=C/c2ccc(F)cc2)CC1 ZINC000271055247 1127067488 /nfs/dbraw/zinc/06/74/88/1127067488.db2.gz ZETIHTMWVGHCND-SNAWJCMRSA-N 2 1 290.426 3.644 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)C/C=C/c2ccc(F)cc2)CC1 ZINC000271055247 1127067491 /nfs/dbraw/zinc/06/74/91/1127067491.db2.gz ZETIHTMWVGHCND-SNAWJCMRSA-N 2 1 290.426 3.644 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000271107960 1127068348 /nfs/dbraw/zinc/06/83/48/1127068348.db2.gz BQLWTXFWDACUCN-CQSZACIVSA-N 2 1 295.386 3.844 20 0 CHADMP C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)o1 ZINC000271217259 1127073653 /nfs/dbraw/zinc/07/36/53/1127073653.db2.gz XYKREUOXDKGQKV-WFASDCNBSA-N 2 1 285.391 3.506 20 0 CHADMP CSCCC[N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236754043 1131005402 /nfs/dbraw/zinc/00/54/02/1131005402.db2.gz BNGHWDMZVGTUNF-QAQDUYKDSA-N 2 1 298.540 3.892 20 0 CHADMP Cc1ccncc1[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000271526938 1127088578 /nfs/dbraw/zinc/08/85/78/1127088578.db2.gz WRDSTQPPLUAHEP-SJORKVTESA-N 2 1 289.467 3.695 20 0 CHADMP Cc1ccncc1[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000271526922 1127088777 /nfs/dbraw/zinc/08/87/77/1127088777.db2.gz WRDSTQPPLUAHEP-IAGOWNOFSA-N 2 1 289.467 3.695 20 0 CHADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000349246826 1127144588 /nfs/dbraw/zinc/14/45/88/1127144588.db2.gz NDCNLZXHPINJFI-KONPQCLYSA-N 2 1 284.447 3.760 20 0 CHADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000349246823 1127144554 /nfs/dbraw/zinc/14/45/54/1127144554.db2.gz NDCNLZXHPINJFI-CBZIJGRNSA-N 2 1 284.447 3.760 20 0 CHADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CC=CCC1 ZINC000350318430 1127177167 /nfs/dbraw/zinc/17/71/67/1127177167.db2.gz NPBXOYADAZKVKY-QGZVFWFLSA-N 2 1 299.462 3.586 20 0 CHADMP Cc1ccccc1C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000284166669 1127177712 /nfs/dbraw/zinc/17/77/12/1127177712.db2.gz FFHBESNOYXIFNC-HXUWFJFHSA-N 2 1 298.474 3.533 20 0 CHADMP C[C@H](F)CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000351872595 1127212974 /nfs/dbraw/zinc/21/29/74/1127212974.db2.gz DWJLZRHWFIQPEO-JZXOWHBKSA-N 2 1 292.442 3.719 20 0 CHADMP C[C@H](F)CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000351872595 1127212977 /nfs/dbraw/zinc/21/29/77/1127212977.db2.gz DWJLZRHWFIQPEO-JZXOWHBKSA-N 2 1 292.442 3.719 20 0 CHADMP C[C@H](F)CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000351872595 1127212979 /nfs/dbraw/zinc/21/29/79/1127212979.db2.gz DWJLZRHWFIQPEO-JZXOWHBKSA-N 2 1 292.442 3.719 20 0 CHADMP C[C@H](F)CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000351872595 1127212980 /nfs/dbraw/zinc/21/29/80/1127212980.db2.gz DWJLZRHWFIQPEO-JZXOWHBKSA-N 2 1 292.442 3.719 20 0 CHADMP CC[C@@H](c1ccccc1)[N@@H+](C)C1CC[NH+](CC2CC2)CC1 ZINC001168387708 1127215071 /nfs/dbraw/zinc/21/50/71/1127215071.db2.gz QPMGCXJELFBRHQ-IBGZPJMESA-N 2 1 286.463 3.944 20 0 CHADMP C(C1CC1)[NH+]1CCC([N@H+]2CCC3(C2)CCCCC3)CC1 ZINC001168396718 1127243657 /nfs/dbraw/zinc/24/36/57/1127243657.db2.gz IAMHRFFOEIHCDW-UHFFFAOYSA-N 2 1 276.468 3.517 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1cccc(C)c1 ZINC000353408113 1127268009 /nfs/dbraw/zinc/26/80/09/1127268009.db2.gz YILNDAPWHSJZIB-CRAIPNDOSA-N 2 1 285.435 3.877 20 0 CHADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000510740653 1127271115 /nfs/dbraw/zinc/27/11/15/1127271115.db2.gz VRHSBZADGVKLSU-KBPBESRZSA-N 2 1 298.421 3.606 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)c2ccccc2F)CC1 ZINC000590786143 1127273331 /nfs/dbraw/zinc/27/33/31/1127273331.db2.gz CIYMIKDGOKPVDH-HNNXBMFYSA-N 2 1 292.442 3.939 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC000287320216 1127300760 /nfs/dbraw/zinc/30/07/60/1127300760.db2.gz LSBYBJFYDWXZHV-LMMKCTJWSA-N 2 1 284.447 3.589 20 0 CHADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000354312588 1127302257 /nfs/dbraw/zinc/30/22/57/1127302257.db2.gz SAJGQNVCERJRRI-SRABZTEZSA-N 2 1 277.456 3.632 20 0 CHADMP CC[C@@H](C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000357340317 1127388800 /nfs/dbraw/zinc/38/88/00/1127388800.db2.gz AQCOPUCOJRKIMG-ZIAGYGMSSA-N 2 1 271.408 3.877 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000358081735 1127401276 /nfs/dbraw/zinc/40/12/76/1127401276.db2.gz MBNPFULAEYAEKE-IJEWVQPXSA-N 2 1 277.456 3.632 20 0 CHADMP Cc1cccc([C@@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)c1 ZINC000359222895 1127454410 /nfs/dbraw/zinc/45/44/10/1127454410.db2.gz QZTSEEHOEZIFRF-SFHVURJKSA-N 2 1 272.436 3.522 20 0 CHADMP Cc1cccc([C@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)c1 ZINC000359222891 1127454843 /nfs/dbraw/zinc/45/48/43/1127454843.db2.gz QZTSEEHOEZIFRF-GOSISDBHSA-N 2 1 272.436 3.522 20 0 CHADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)CC[N@@H+]1C ZINC000294859498 1127604320 /nfs/dbraw/zinc/60/43/20/1127604320.db2.gz BWLPWQYEYQLUPC-AJNGGQMLSA-N 2 1 292.854 3.658 20 0 CHADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)CC[N@H+]1C ZINC000294859498 1127604323 /nfs/dbraw/zinc/60/43/23/1127604323.db2.gz BWLPWQYEYQLUPC-AJNGGQMLSA-N 2 1 292.854 3.658 20 0 CHADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295025692 1127615142 /nfs/dbraw/zinc/61/51/42/1127615142.db2.gz NMEKJMKUTWGHEN-QBUWPKIASA-N 2 1 286.463 3.531 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(C)(F)F ZINC000295781275 1127652667 /nfs/dbraw/zinc/65/26/67/1127652667.db2.gz QSUTZEOMKKWUQN-HOCLYGCPSA-N 2 1 296.405 3.532 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+][C@H]3CCC34CCC4)C2)cc1 ZINC000669699144 1127673031 /nfs/dbraw/zinc/67/30/31/1127673031.db2.gz SQRZGEDOIKBBPX-OALUTQOASA-N 2 1 298.474 3.821 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C2(Cc3ccccc3)CCC2)CC1(C)C ZINC001118855634 1131240129 /nfs/dbraw/zinc/24/01/29/1131240129.db2.gz MFWYXUGSCDFXQU-KRWDZBQOSA-N 2 1 286.463 3.614 20 0 CHADMP CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCc1cncn1C ZINC000297748387 1127706439 /nfs/dbraw/zinc/70/64/39/1127706439.db2.gz KYRMWDQESNHPNR-RBUKOAKNSA-N 2 1 297.446 3.621 20 0 CHADMP Cc1nccn1CC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000299051186 1127739527 /nfs/dbraw/zinc/73/95/27/1127739527.db2.gz PRAOTISATPENCM-LBPRGKRZSA-N 2 1 277.799 3.538 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000299051186 1127739530 /nfs/dbraw/zinc/73/95/30/1127739530.db2.gz PRAOTISATPENCM-LBPRGKRZSA-N 2 1 277.799 3.538 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000299051186 1127739532 /nfs/dbraw/zinc/73/95/32/1127739532.db2.gz PRAOTISATPENCM-LBPRGKRZSA-N 2 1 277.799 3.538 20 0 CHADMP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000366261722 1127744468 /nfs/dbraw/zinc/74/44/68/1127744468.db2.gz WKQAGAMFEQTAEZ-WDSOQIARSA-N 2 1 286.463 3.533 20 0 CHADMP Cc1cccc(C)c1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000606432077 1127761878 /nfs/dbraw/zinc/76/18/78/1127761878.db2.gz LYZWQVYPKJFNCR-UHFFFAOYSA-N 2 1 274.452 3.608 20 0 CHADMP Cc1cccc(C)c1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000606447707 1127763413 /nfs/dbraw/zinc/76/34/13/1127763413.db2.gz SPSUBEUIZGOSMS-SFHVURJKSA-N 2 1 286.463 3.754 20 0 CHADMP CC(C)SCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000409446578 1127768204 /nfs/dbraw/zinc/76/82/04/1127768204.db2.gz LDNZRLOSGBKDMO-IRXDYDNUSA-N 2 1 298.540 3.714 20 0 CHADMP CC(C)SCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000409446578 1127768209 /nfs/dbraw/zinc/76/82/09/1127768209.db2.gz LDNZRLOSGBKDMO-IRXDYDNUSA-N 2 1 298.540 3.714 20 0 CHADMP CC(C)SCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000409446578 1127768211 /nfs/dbraw/zinc/76/82/11/1127768211.db2.gz LDNZRLOSGBKDMO-IRXDYDNUSA-N 2 1 298.540 3.714 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000411994626 1127884717 /nfs/dbraw/zinc/88/47/17/1127884717.db2.gz ZWCRBVPTWWQTEZ-RBUKOAKNSA-N 2 1 298.474 3.740 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000411994626 1127884721 /nfs/dbraw/zinc/88/47/21/1127884721.db2.gz ZWCRBVPTWWQTEZ-RBUKOAKNSA-N 2 1 298.474 3.740 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000411994626 1127884725 /nfs/dbraw/zinc/88/47/25/1127884725.db2.gz ZWCRBVPTWWQTEZ-RBUKOAKNSA-N 2 1 298.474 3.740 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C)CCCCCC2)[C@@H](C)C1 ZINC000539560333 1127930706 /nfs/dbraw/zinc/93/07/06/1127930706.db2.gz OGMGGDUGEVIXFX-JKSUJKDBSA-N 2 1 266.473 3.667 20 0 CHADMP CCCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)cc1 ZINC000539791684 1127939644 /nfs/dbraw/zinc/93/96/44/1127939644.db2.gz JYRBYPTXQOCRSF-QFBILLFUSA-N 2 1 288.479 3.944 20 0 CHADMP CCCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000539791684 1127939645 /nfs/dbraw/zinc/93/96/45/1127939645.db2.gz JYRBYPTXQOCRSF-QFBILLFUSA-N 2 1 288.479 3.944 20 0 CHADMP CCCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000539791684 1127939648 /nfs/dbraw/zinc/93/96/48/1127939648.db2.gz JYRBYPTXQOCRSF-QFBILLFUSA-N 2 1 288.479 3.944 20 0 CHADMP CC[N@H+]1CC[C@H](N(C)C/C=C/c2ccc(F)cc2)C[C@H]1C ZINC000539819062 1127942944 /nfs/dbraw/zinc/94/29/44/1127942944.db2.gz JPFMOYZMCRFMRG-IJVDXJMESA-N 2 1 290.426 3.644 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C/C=C/c2ccc(F)cc2)C[C@H]1C ZINC000539819062 1127942952 /nfs/dbraw/zinc/94/29/52/1127942952.db2.gz JPFMOYZMCRFMRG-IJVDXJMESA-N 2 1 290.426 3.644 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C/C=C/c2ccc(F)cc2)C[C@H]1C ZINC000539819062 1127942955 /nfs/dbraw/zinc/94/29/55/1127942955.db2.gz JPFMOYZMCRFMRG-IJVDXJMESA-N 2 1 290.426 3.644 20 0 CHADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3CCC(C)(C)CC3)CC[C@@H]21 ZINC000539897672 1127952462 /nfs/dbraw/zinc/95/24/62/1127952462.db2.gz VUXUSJDNPMFDCM-SJORKVTESA-N 2 1 278.484 3.619 20 0 CHADMP C[C@@H](Cc1ccsc1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000543986269 1127954344 /nfs/dbraw/zinc/95/43/44/1127954344.db2.gz OBCRSKBYQQQWBG-HNNXBMFYSA-N 2 1 292.492 3.629 20 0 CHADMP C[C@H](Cc1ccsc1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000543986270 1127954406 /nfs/dbraw/zinc/95/44/06/1127954406.db2.gz OBCRSKBYQQQWBG-OAHLLOKOSA-N 2 1 292.492 3.629 20 0 CHADMP C[C@@H]1CCC[C@@H](CCN2CCC3(CCC[N@H+]3C)CC2)C1 ZINC000544131899 1127960329 /nfs/dbraw/zinc/96/03/29/1127960329.db2.gz GUECKNWUPSPNPD-SJORKVTESA-N 2 1 278.484 3.763 20 0 CHADMP C[C@@H]1CCC[C@@H](CC[NH+]2CCC3(CCC[N@@H+]3C)CC2)C1 ZINC000544131899 1127960333 /nfs/dbraw/zinc/96/03/33/1127960333.db2.gz GUECKNWUPSPNPD-SJORKVTESA-N 2 1 278.484 3.763 20 0 CHADMP C[C@@H]1CCC[C@@H](CC[NH+]2CCC3(CCC[N@H+]3C)CC2)C1 ZINC000544131899 1127960335 /nfs/dbraw/zinc/96/03/35/1127960335.db2.gz GUECKNWUPSPNPD-SJORKVTESA-N 2 1 278.484 3.763 20 0 CHADMP CC(C)[C@H](C)[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000540146047 1127962324 /nfs/dbraw/zinc/96/23/24/1127962324.db2.gz QWMYCBUIWACLIC-LNLFQRSKSA-N 2 1 288.479 3.921 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC000540148173 1127964106 /nfs/dbraw/zinc/96/41/06/1127964106.db2.gz HWUFZWKYIOIJOM-HZPDHXFCSA-N 2 1 292.442 3.844 20 0 CHADMP CC[C@@H]1CCC[C@H](C[N@H+](C)C2CC[NH+](CC)CC2)C1 ZINC000544352361 1127969827 /nfs/dbraw/zinc/96/98/27/1127969827.db2.gz COMDPBFLMLBURM-CVEARBPZSA-N 2 1 266.473 3.619 20 0 CHADMP CC[C@@H]1CCC[C@H](C[N@@H+](C)C2CC[NH+](CC)CC2)C1 ZINC000544352361 1127969828 /nfs/dbraw/zinc/96/98/28/1127969828.db2.gz COMDPBFLMLBURM-CVEARBPZSA-N 2 1 266.473 3.619 20 0 CHADMP C/C(=C/c1ccccc1)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000467518821 1127972303 /nfs/dbraw/zinc/97/23/03/1127972303.db2.gz NZHYOTVNTQAFCW-ICFOKQHNSA-N 2 1 272.436 3.508 20 0 CHADMP C/C(=C/c1ccccc1)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000467518821 1127972307 /nfs/dbraw/zinc/97/23/07/1127972307.db2.gz NZHYOTVNTQAFCW-ICFOKQHNSA-N 2 1 272.436 3.508 20 0 CHADMP CC1CC([NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000467731290 1127979161 /nfs/dbraw/zinc/97/91/61/1127979161.db2.gz AZOXYUBSIBWDNQ-BDFRZKONSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@H](C[NH2+]C[C@H]1C[C@@H]1c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000540549680 1127984464 /nfs/dbraw/zinc/98/44/64/1127984464.db2.gz SQULWCAXMHQSCR-PSBWJHGTSA-N 2 1 286.463 3.643 20 0 CHADMP C[C@H](C[NH2+]C[C@H]1C[C@@H]1c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000540549680 1127984467 /nfs/dbraw/zinc/98/44/67/1127984467.db2.gz SQULWCAXMHQSCR-PSBWJHGTSA-N 2 1 286.463 3.643 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CCCCC2CCCC2)[C@@H](C)C1 ZINC000469281071 1128039818 /nfs/dbraw/zinc/03/98/18/1128039818.db2.gz QGDZSUQDPHPUBU-RDJZCZTQSA-N 2 1 266.473 3.667 20 0 CHADMP CCS[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000469777471 1128053628 /nfs/dbraw/zinc/05/36/28/1128053628.db2.gz XJIWBQHOSDICDQ-OWCLPIDISA-N 2 1 284.513 3.515 20 0 CHADMP Cc1ccc(-c2cccc(C[N@@H+]3CC[C@H]([C@H](C)[NH3+])C3)c2)cc1 ZINC000469848140 1128055881 /nfs/dbraw/zinc/05/58/81/1128055881.db2.gz GJYRPRPNTUYXEG-JXFKEZNVSA-N 2 1 294.442 3.831 20 0 CHADMP Cc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([C@H](C)[NH3+])C3)c2)cc1 ZINC000469848141 1128055894 /nfs/dbraw/zinc/05/58/94/1128055894.db2.gz GJYRPRPNTUYXEG-OXJNMPFZSA-N 2 1 294.442 3.831 20 0 CHADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccccc2)cc1F ZINC000469870087 1128057051 /nfs/dbraw/zinc/05/70/51/1128057051.db2.gz HVBDZSAAVXEVFH-CABCVRRESA-N 2 1 298.405 3.662 20 0 CHADMP CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000469996161 1128061037 /nfs/dbraw/zinc/06/10/37/1128061037.db2.gz JRXVJEORPORFEY-CYBMUJFWSA-N 2 1 292.389 3.525 20 0 CHADMP CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000469996161 1128061042 /nfs/dbraw/zinc/06/10/42/1128061042.db2.gz JRXVJEORPORFEY-CYBMUJFWSA-N 2 1 292.389 3.525 20 0 CHADMP Cc1ccccc1-c1cccc(C[N@H+](C)C2CC[NH2+]CC2)c1 ZINC000469998237 1128061314 /nfs/dbraw/zinc/06/13/14/1128061314.db2.gz FAGRBIFFMZHTHM-UHFFFAOYSA-N 2 1 294.442 3.846 20 0 CHADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CC[C@H]1c1ccccc1 ZINC000469987953 1128061361 /nfs/dbraw/zinc/06/13/61/1128061361.db2.gz YSHFGZWKSXXYCW-ZHALLVOQSA-N 2 1 286.463 3.502 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000173325039 1128087314 /nfs/dbraw/zinc/08/73/14/1128087314.db2.gz REFQATBVWKJFHR-IRXDYDNUSA-N 2 1 274.452 3.992 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000557262207 1128097872 /nfs/dbraw/zinc/09/78/72/1128097872.db2.gz JTKHDKSJRWKLMX-PVAVHDDUSA-N 2 1 277.456 3.632 20 0 CHADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000924753969 1128112442 /nfs/dbraw/zinc/11/24/42/1128112442.db2.gz RLDZRJKJCLQHKK-HNSVSWJLSA-N 2 1 296.524 3.513 20 0 CHADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000924753969 1128112443 /nfs/dbraw/zinc/11/24/43/1128112443.db2.gz RLDZRJKJCLQHKK-HNSVSWJLSA-N 2 1 296.524 3.513 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1coc2ccccc12 ZINC000925138747 1128123185 /nfs/dbraw/zinc/12/31/85/1128123185.db2.gz DGTHOVNOEMHOMP-MELADBBJSA-N 2 1 272.392 3.566 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1coc2ccccc12 ZINC000925138747 1128123188 /nfs/dbraw/zinc/12/31/88/1128123188.db2.gz DGTHOVNOEMHOMP-MELADBBJSA-N 2 1 272.392 3.566 20 0 CHADMP C[C@H]([NH3+])[C@H]([NH2+]C1CCC2(CC2(F)F)CC1)c1ccccc1 ZINC000925710525 1128137734 /nfs/dbraw/zinc/13/77/34/1128137734.db2.gz XIGZQTGCOMGNCO-IYOFFGIQSA-N 2 1 294.389 3.633 20 0 CHADMP C[C@@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)c1cscn1 ZINC000926691533 1128187910 /nfs/dbraw/zinc/18/79/10/1128187910.db2.gz IRPKHDKUDFXNEV-CHWSQXEVSA-N 2 1 289.448 3.617 20 0 CHADMP Cc1ccccc1[C@@H]([NH2+]C1CC[NH+](C)CC1)C1CCCC1 ZINC000494875451 1128207358 /nfs/dbraw/zinc/20/73/58/1128207358.db2.gz DVQLPIDQFTVCBA-IBGZPJMESA-N 2 1 286.463 3.910 20 0 CHADMP CCC[C@H](C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21)c1ccccc1 ZINC000495127080 1128235252 /nfs/dbraw/zinc/23/52/52/1128235252.db2.gz KPWUJNBDLWYHLV-QRVBRYPASA-N 2 1 286.463 3.596 20 0 CHADMP CCC[C@H](C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21)c1ccccc1 ZINC000495127080 1128235254 /nfs/dbraw/zinc/23/52/54/1128235254.db2.gz KPWUJNBDLWYHLV-QRVBRYPASA-N 2 1 286.463 3.596 20 0 CHADMP CCC[C@H](C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21)c1ccccc1 ZINC000495127080 1128235256 /nfs/dbraw/zinc/23/52/56/1128235256.db2.gz KPWUJNBDLWYHLV-QRVBRYPASA-N 2 1 286.463 3.596 20 0 CHADMP CCC[C@H](C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21)c1ccccc1 ZINC000495127080 1128235257 /nfs/dbraw/zinc/23/52/57/1128235257.db2.gz KPWUJNBDLWYHLV-QRVBRYPASA-N 2 1 286.463 3.596 20 0 CHADMP CCCCCC[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001257367381 1128277651 /nfs/dbraw/zinc/27/76/51/1128277651.db2.gz BKHJVQVXKHSHLT-MRXNPFEDSA-N 2 1 266.473 3.763 20 0 CHADMP C(CC1CCCCC1)C[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235122545 1128303346 /nfs/dbraw/zinc/30/33/46/1128303346.db2.gz GSDWHSUZULIVAP-QGZVFWFLSA-N 2 1 264.457 3.565 20 0 CHADMP C(CC1CCCCC1)C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235122545 1128303351 /nfs/dbraw/zinc/30/33/51/1128303351.db2.gz GSDWHSUZULIVAP-QGZVFWFLSA-N 2 1 264.457 3.565 20 0 CHADMP CC1=CC[C@@H](CC[N@@H+]2CCCC[C@@]23CC[NH2+]C3)C1(C)C ZINC001235125319 1128303419 /nfs/dbraw/zinc/30/34/19/1128303419.db2.gz OQSXYSXLKMRLID-WMZOPIPTSA-N 2 1 276.468 3.587 20 0 CHADMP CC1=CC[C@@H](CC[N@H+]2CCCC[C@@]23CC[NH2+]C3)C1(C)C ZINC001235125319 1128303422 /nfs/dbraw/zinc/30/34/22/1128303422.db2.gz OQSXYSXLKMRLID-WMZOPIPTSA-N 2 1 276.468 3.587 20 0 CHADMP CCC[C@H](C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000561612780 1128341376 /nfs/dbraw/zinc/34/13/76/1128341376.db2.gz QNCPCJPSLXSWOE-IEBWSBKVSA-N 2 1 288.479 3.890 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1csc(Cl)c1 ZINC000322703570 1128348711 /nfs/dbraw/zinc/34/87/11/1128348711.db2.gz MKZWQUIURIHEDD-SMHCIBLRSA-N 2 1 284.856 3.677 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1csc(Cl)c1 ZINC000322703570 1128348716 /nfs/dbraw/zinc/34/87/16/1128348716.db2.gz MKZWQUIURIHEDD-SMHCIBLRSA-N 2 1 284.856 3.677 20 0 CHADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cccc(C(C)(C)C)c1 ZINC001235716880 1128349322 /nfs/dbraw/zinc/34/93/22/1128349322.db2.gz LBGDZROECRJZFG-UHFFFAOYSA-N 2 1 288.479 3.806 20 0 CHADMP CCCC[C@@H](CC)[NH+]1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001257425688 1128358857 /nfs/dbraw/zinc/35/88/57/1128358857.db2.gz WZKRMUPBAOYWMF-SJLPKXTDSA-N 2 1 296.499 3.530 20 0 CHADMP CCCC[C@H](CC)[NH+]1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001257425689 1128359302 /nfs/dbraw/zinc/35/93/02/1128359302.db2.gz WZKRMUPBAOYWMF-WMZOPIPTSA-N 2 1 296.499 3.530 20 0 CHADMP CCC1([NH+]2CCCC2)CC[NH+](CCCC(C)(F)F)CC1 ZINC000931463598 1128363077 /nfs/dbraw/zinc/36/30/77/1128363077.db2.gz FYGFWYRQYBHXJA-UHFFFAOYSA-N 2 1 288.426 3.762 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000562019329 1128371322 /nfs/dbraw/zinc/37/13/22/1128371322.db2.gz JYENNXNPVXIBGT-PMACEKPBSA-N 2 1 298.474 3.738 20 0 CHADMP CC(F)(F)CCC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000931609172 1128371601 /nfs/dbraw/zinc/37/16/01/1128371601.db2.gz CZHWQBKVRMFNDZ-UHFFFAOYSA-N 2 1 288.426 3.762 20 0 CHADMP C(C[NH+]1CCCC2(CCC[N@H+](CCC3CC3)C2)C1)C1CC1 ZINC000562049666 1128373876 /nfs/dbraw/zinc/37/38/76/1128373876.db2.gz HBEPQKLEPPEUIX-UHFFFAOYSA-N 2 1 290.495 3.765 20 0 CHADMP CSc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996650 1128404430 /nfs/dbraw/zinc/40/44/30/1128404430.db2.gz LCFBNQKYUCWLFB-IAOVAPTHSA-N 2 1 290.476 3.686 20 0 CHADMP CSc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996650 1128404431 /nfs/dbraw/zinc/40/44/31/1128404431.db2.gz LCFBNQKYUCWLFB-IAOVAPTHSA-N 2 1 290.476 3.686 20 0 CHADMP CCCC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1ccccc1 ZINC000038098159 1128438042 /nfs/dbraw/zinc/43/80/42/1128438042.db2.gz JFWNLADNQMDQFY-SFHVURJKSA-N 2 1 274.452 3.992 20 0 CHADMP CCC[C@H](C)CC[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001257463614 1128444508 /nfs/dbraw/zinc/44/45/08/1128444508.db2.gz OHJNIUBJPIGJQV-XHSDSOJGSA-N 2 1 254.462 3.665 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1c(C)cccc1C ZINC000933767203 1128442437 /nfs/dbraw/zinc/44/24/37/1128442437.db2.gz PYAXSPPZLXWATF-UHFFFAOYSA-N 2 1 285.435 3.721 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1c(C)cccc1C ZINC000933767203 1128442440 /nfs/dbraw/zinc/44/24/40/1128442440.db2.gz PYAXSPPZLXWATF-UHFFFAOYSA-N 2 1 285.435 3.721 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2[C@H](C)CCC[C@H]2C)C1 ZINC000125893386 1128455297 /nfs/dbraw/zinc/45/52/97/1128455297.db2.gz DSBLMZVARJDDFT-OAGGEKHMSA-N 2 1 266.473 3.521 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)o1 ZINC000126005563 1128460368 /nfs/dbraw/zinc/46/03/68/1128460368.db2.gz RKZHTGBBGIDMET-CABCVRRESA-N 2 1 278.440 3.613 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)o1 ZINC000126005563 1128460370 /nfs/dbraw/zinc/46/03/70/1128460370.db2.gz RKZHTGBBGIDMET-CABCVRRESA-N 2 1 278.440 3.613 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001257485269 1128503751 /nfs/dbraw/zinc/50/37/51/1128503751.db2.gz JYEOKNWDASHPRK-ULQDDVLXSA-N 2 1 266.473 3.619 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001257485269 1128503755 /nfs/dbraw/zinc/50/37/55/1128503755.db2.gz JYEOKNWDASHPRK-ULQDDVLXSA-N 2 1 266.473 3.619 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001257485269 1128503757 /nfs/dbraw/zinc/50/37/57/1128503757.db2.gz JYEOKNWDASHPRK-ULQDDVLXSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCCCF)C1 ZINC000567067493 1128557747 /nfs/dbraw/zinc/55/77/47/1128557747.db2.gz BQFZRSRNPLVESN-IAGOWNOFSA-N 2 1 284.463 3.713 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCCCF)C1 ZINC000567067493 1128557749 /nfs/dbraw/zinc/55/77/49/1128557749.db2.gz BQFZRSRNPLVESN-IAGOWNOFSA-N 2 1 284.463 3.713 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCCCF)C1 ZINC000567067493 1128557753 /nfs/dbraw/zinc/55/77/53/1128557753.db2.gz BQFZRSRNPLVESN-IAGOWNOFSA-N 2 1 284.463 3.713 20 0 CHADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000564615487 1128512540 /nfs/dbraw/zinc/51/25/40/1128512540.db2.gz KAMKAKQQMHLMQR-KGLIPLIRSA-N 2 1 298.421 3.604 20 0 CHADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000564615487 1128512544 /nfs/dbraw/zinc/51/25/44/1128512544.db2.gz KAMKAKQQMHLMQR-KGLIPLIRSA-N 2 1 298.421 3.604 20 0 CHADMP CC(C)c1nc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)cs1 ZINC000565302529 1128523896 /nfs/dbraw/zinc/52/38/96/1128523896.db2.gz AXGXODBMWKIQGA-GFCCVEGCSA-N 2 1 289.448 3.576 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1ccc(Cl)cc1 ZINC000129679235 1128548725 /nfs/dbraw/zinc/54/87/25/1128548725.db2.gz DHSMLWMEIOYKJL-BBRMVZONSA-N 2 1 294.870 3.547 20 0 CHADMP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H](c3ccccc3)C2)CC1 ZINC000498364321 1128565682 /nfs/dbraw/zinc/56/56/82/1128565682.db2.gz OYOQUXGBPVCDLY-IEBWSBKVSA-N 2 1 286.463 3.787 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1c[nH+]ccc1N)CCC2 ZINC000567640448 1128569477 /nfs/dbraw/zinc/56/94/77/1128569477.db2.gz JJIPWHOVILKNDB-SCLBCKFNSA-N 2 1 281.403 3.531 20 0 CHADMP CC(C)[C@@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000567864807 1128573239 /nfs/dbraw/zinc/57/32/39/1128573239.db2.gz RSPUYPZKNOZNOQ-ZZJWQFMZSA-N 2 1 286.463 3.641 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000568456677 1128585193 /nfs/dbraw/zinc/58/51/93/1128585193.db2.gz JXGUQIGWVWNGGI-CVEARBPZSA-N 2 1 262.441 3.500 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000568456677 1128585197 /nfs/dbraw/zinc/58/51/97/1128585197.db2.gz JXGUQIGWVWNGGI-CVEARBPZSA-N 2 1 262.441 3.500 20 0 CHADMP C[C@H]1C[C@H](NC[C@H]2CCC[N@@H+](C)C2)c2ccsc2S1 ZINC000130566444 1128587229 /nfs/dbraw/zinc/58/72/29/1128587229.db2.gz BHPFKLXSRSAYFN-SCRDCRAPSA-N 2 1 296.505 3.605 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CCCN(C)C2)c2ccsc2S1 ZINC000130566444 1128587231 /nfs/dbraw/zinc/58/72/31/1128587231.db2.gz BHPFKLXSRSAYFN-SCRDCRAPSA-N 2 1 296.505 3.605 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)c2ccsc2S1 ZINC000130566444 1128587233 /nfs/dbraw/zinc/58/72/33/1128587233.db2.gz BHPFKLXSRSAYFN-SCRDCRAPSA-N 2 1 296.505 3.605 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)c2ccsc2S1 ZINC000130566444 1128587234 /nfs/dbraw/zinc/58/72/34/1128587234.db2.gz BHPFKLXSRSAYFN-SCRDCRAPSA-N 2 1 296.505 3.605 20 0 CHADMP C[C@H](CCC1CC1)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000568787191 1128591406 /nfs/dbraw/zinc/59/14/06/1128591406.db2.gz FEPQQYXRQVCNMJ-AYOQOUSVSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@H](CCC1CC1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000568787191 1128591410 /nfs/dbraw/zinc/59/14/10/1128591410.db2.gz FEPQQYXRQVCNMJ-AYOQOUSVSA-N 2 1 286.463 3.990 20 0 CHADMP CC[C@H](F)CN[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000569022411 1128596932 /nfs/dbraw/zinc/59/69/32/1128596932.db2.gz QYRVPWDSUCCGCE-IRXDYDNUSA-N 2 1 292.442 3.625 20 0 CHADMP CC[C@H](F)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000569022411 1128596936 /nfs/dbraw/zinc/59/69/36/1128596936.db2.gz QYRVPWDSUCCGCE-IRXDYDNUSA-N 2 1 292.442 3.625 20 0 CHADMP CC[C@H](F)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000569022411 1128596940 /nfs/dbraw/zinc/59/69/40/1128596940.db2.gz QYRVPWDSUCCGCE-IRXDYDNUSA-N 2 1 292.442 3.625 20 0 CHADMP CC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000569102624 1128598153 /nfs/dbraw/zinc/59/81/53/1128598153.db2.gz SJVXSJVGWMWEBK-KRWDZBQOSA-N 2 1 284.447 3.573 20 0 CHADMP CC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000569102624 1128598156 /nfs/dbraw/zinc/59/81/56/1128598156.db2.gz SJVXSJVGWMWEBK-KRWDZBQOSA-N 2 1 284.447 3.573 20 0 CHADMP Cc1nccn1CCC[N@H+](C)[C@@H](C)CCc1ccccc1 ZINC000556618677 1128610456 /nfs/dbraw/zinc/61/04/56/1128610456.db2.gz DRGWLLMFZRUQQS-INIZCTEOSA-N 2 1 285.435 3.535 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)CCc1ccccc1 ZINC000556618677 1128610459 /nfs/dbraw/zinc/61/04/59/1128610459.db2.gz DRGWLLMFZRUQQS-INIZCTEOSA-N 2 1 285.435 3.535 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)CCc1ccccc1 ZINC000556618677 1128610461 /nfs/dbraw/zinc/61/04/61/1128610461.db2.gz DRGWLLMFZRUQQS-INIZCTEOSA-N 2 1 285.435 3.535 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000569927024 1128612042 /nfs/dbraw/zinc/61/20/42/1128612042.db2.gz LHQCWEIQBNFLHM-NXHRZFHOSA-N 2 1 284.447 3.572 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000569927024 1128612044 /nfs/dbraw/zinc/61/20/44/1128612044.db2.gz LHQCWEIQBNFLHM-NXHRZFHOSA-N 2 1 284.447 3.572 20 0 CHADMP CCc1cc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])ccc1Cl ZINC001236214550 1128617270 /nfs/dbraw/zinc/61/72/70/1128617270.db2.gz FSZNZNYGXDXCMK-HZPDHXFCSA-N 2 1 280.843 3.604 20 0 CHADMP CCc1cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])ccc1Cl ZINC001236214550 1128617273 /nfs/dbraw/zinc/61/72/73/1128617273.db2.gz FSZNZNYGXDXCMK-HZPDHXFCSA-N 2 1 280.843 3.604 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236214519 1128617474 /nfs/dbraw/zinc/61/74/74/1128617474.db2.gz FDVCPAYFIXOJLR-JKSUJKDBSA-N 2 1 280.843 3.659 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236214519 1128617475 /nfs/dbraw/zinc/61/74/75/1128617475.db2.gz FDVCPAYFIXOJLR-JKSUJKDBSA-N 2 1 280.843 3.659 20 0 CHADMP CC[C@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000570384603 1128622817 /nfs/dbraw/zinc/62/28/17/1128622817.db2.gz UCBHBBGZSVZKGU-MJGOQNOKSA-N 2 1 286.463 3.598 20 0 CHADMP CC[C@H](C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000570384603 1128622818 /nfs/dbraw/zinc/62/28/18/1128622818.db2.gz UCBHBBGZSVZKGU-MJGOQNOKSA-N 2 1 286.463 3.598 20 0 CHADMP CC[C@H](C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000570384603 1128622821 /nfs/dbraw/zinc/62/28/21/1128622821.db2.gz UCBHBBGZSVZKGU-MJGOQNOKSA-N 2 1 286.463 3.598 20 0 CHADMP CC[C@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000570384602 1128623064 /nfs/dbraw/zinc/62/30/64/1128623064.db2.gz UCBHBBGZSVZKGU-IEBWSBKVSA-N 2 1 286.463 3.598 20 0 CHADMP CC[C@H](C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000570384602 1128623066 /nfs/dbraw/zinc/62/30/66/1128623066.db2.gz UCBHBBGZSVZKGU-IEBWSBKVSA-N 2 1 286.463 3.598 20 0 CHADMP CC[C@H](C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000570384602 1128623068 /nfs/dbraw/zinc/62/30/68/1128623068.db2.gz UCBHBBGZSVZKGU-IEBWSBKVSA-N 2 1 286.463 3.598 20 0 CHADMP Cc1c(C)c(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])ccc1Cl ZINC001236219908 1128623337 /nfs/dbraw/zinc/62/33/37/1128623337.db2.gz YGYKPQGXVJSDDC-CVEARBPZSA-N 2 1 280.843 3.659 20 0 CHADMP Cc1c(C)c(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])ccc1Cl ZINC001236219908 1128623340 /nfs/dbraw/zinc/62/33/40/1128623340.db2.gz YGYKPQGXVJSDDC-CVEARBPZSA-N 2 1 280.843 3.659 20 0 CHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+]([C@H]2C=CCCC2)C1 ZINC000072974907 1128637442 /nfs/dbraw/zinc/63/74/42/1128637442.db2.gz DPELGTRYVSRELT-SQNIBIBYSA-N 2 1 276.468 3.682 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000072974907 1128637444 /nfs/dbraw/zinc/63/74/44/1128637444.db2.gz DPELGTRYVSRELT-SQNIBIBYSA-N 2 1 276.468 3.682 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+]([C@H]2C=CCCC2)C1 ZINC000072974907 1128637445 /nfs/dbraw/zinc/63/74/45/1128637445.db2.gz DPELGTRYVSRELT-SQNIBIBYSA-N 2 1 276.468 3.682 20 0 CHADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2CCCC2CCCCC2)C1 ZINC000571925469 1128639865 /nfs/dbraw/zinc/63/98/65/1128639865.db2.gz NUTDHVMPOXHWIX-MSOLQXFVSA-N 2 1 278.484 3.763 20 0 CHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2CCCC2CCCCC2)C1 ZINC000571925469 1128639868 /nfs/dbraw/zinc/63/98/68/1128639868.db2.gz NUTDHVMPOXHWIX-MSOLQXFVSA-N 2 1 278.484 3.763 20 0 CHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2CCCC2CCCCC2)C1 ZINC000571925469 1128639872 /nfs/dbraw/zinc/63/98/72/1128639872.db2.gz NUTDHVMPOXHWIX-MSOLQXFVSA-N 2 1 278.484 3.763 20 0 CHADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2CCCC2CCCCC2)C1 ZINC000571925487 1128640712 /nfs/dbraw/zinc/64/07/12/1128640712.db2.gz NUTDHVMPOXHWIX-ROUUACIJSA-N 2 1 278.484 3.763 20 0 CHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2CCCC2CCCCC2)C1 ZINC000571925487 1128640713 /nfs/dbraw/zinc/64/07/13/1128640713.db2.gz NUTDHVMPOXHWIX-ROUUACIJSA-N 2 1 278.484 3.763 20 0 CHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2CCCC2CCCCC2)C1 ZINC000571925487 1128640716 /nfs/dbraw/zinc/64/07/16/1128640716.db2.gz NUTDHVMPOXHWIX-ROUUACIJSA-N 2 1 278.484 3.763 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H]1C[C@H](C(C)C)c2ccccc21 ZINC000572689455 1128646817 /nfs/dbraw/zinc/64/68/17/1128646817.db2.gz MBNKDMIJJXHUBC-MSOLQXFVSA-N 2 1 283.419 3.666 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1c[nH+]ccc1N)CCC2 ZINC000573593206 1128655964 /nfs/dbraw/zinc/65/59/64/1128655964.db2.gz JJIPWHOVILKNDB-ACJLOTCBSA-N 2 1 281.403 3.531 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001258056465 1128714046 /nfs/dbraw/zinc/71/40/46/1128714046.db2.gz PKZDFKPVILAWFX-HRCADAONSA-N 2 1 254.462 3.521 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(SC)s2)[C@@H](C)C1 ZINC000578965644 1128734513 /nfs/dbraw/zinc/73/45/13/1128734513.db2.gz QOABLOPQDYFPJJ-JSGCOSHPSA-N 2 1 298.521 3.632 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(SC)s2)[C@@H](C)C1 ZINC000578965644 1128734515 /nfs/dbraw/zinc/73/45/15/1128734515.db2.gz QOABLOPQDYFPJJ-JSGCOSHPSA-N 2 1 298.521 3.632 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(SC)s2)[C@@H](C)C1 ZINC000578965644 1128734518 /nfs/dbraw/zinc/73/45/18/1128734518.db2.gz QOABLOPQDYFPJJ-JSGCOSHPSA-N 2 1 298.521 3.632 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(SC)s2)[C@@H](C)C1 ZINC000578965644 1128734521 /nfs/dbraw/zinc/73/45/21/1128734521.db2.gz QOABLOPQDYFPJJ-JSGCOSHPSA-N 2 1 298.521 3.632 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](C)C(C)(C)C)CC1 ZINC000670262694 1117811537 /nfs/dbraw/zinc/81/15/37/1117811537.db2.gz ASHWEDMSGGHDJY-HNNXBMFYSA-N 2 1 268.489 3.721 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)C(C)(C)C)CC1 ZINC000670262695 1117812078 /nfs/dbraw/zinc/81/20/78/1117812078.db2.gz ASHWEDMSGGHDJY-OAHLLOKOSA-N 2 1 268.489 3.721 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(OC)cc1 ZINC000623339770 1117838776 /nfs/dbraw/zinc/83/87/76/1117838776.db2.gz JNDPLNFGKHLEAB-WBVHZDCISA-N 2 1 290.451 3.609 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)[C@@H]1C[C@H]1C1CC1 ZINC000623358057 1117841441 /nfs/dbraw/zinc/84/14/41/1117841441.db2.gz MPLZJICUJIHWTP-FZCLSBEQSA-N 2 1 278.484 3.665 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CCC(C)(C)c2ccccc2)CC1(C)C ZINC000623375437 1117846036 /nfs/dbraw/zinc/84/60/36/1117846036.db2.gz NGDVIEUXBDKKFW-KRWDZBQOSA-N 2 1 288.479 3.817 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccc2F)CC1(C)C ZINC000623387695 1117849120 /nfs/dbraw/zinc/84/91/20/1117849120.db2.gz QKAOZISAPCJOKH-AWEZNQCLSA-N 2 1 292.442 3.566 20 0 CHADMP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1C ZINC000623420817 1117853814 /nfs/dbraw/zinc/85/38/14/1117853814.db2.gz PGELICKWPCGAII-JKSUJKDBSA-N 2 1 274.452 3.827 20 0 CHADMP CSc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623445540 1117858606 /nfs/dbraw/zinc/85/86/06/1117858606.db2.gz VPBOOWZXPHDOFL-OAHLLOKOSA-N 2 1 292.492 3.679 20 0 CHADMP CSc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623445540 1117858609 /nfs/dbraw/zinc/85/86/09/1117858609.db2.gz VPBOOWZXPHDOFL-OAHLLOKOSA-N 2 1 292.492 3.679 20 0 CHADMP Cc1cc(F)ccc1C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623563068 1117872836 /nfs/dbraw/zinc/87/28/36/1117872836.db2.gz MQKOHFFAOIGPTD-RHSMWYFYSA-N 2 1 292.442 3.528 20 0 CHADMP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623562588 1117872982 /nfs/dbraw/zinc/87/29/82/1117872982.db2.gz WGHPAZYDVACCJC-SJORKVTESA-N 2 1 292.442 3.609 20 0 CHADMP Cc1ccc2oc(C[NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)cc2c1 ZINC000623569595 1117874176 /nfs/dbraw/zinc/87/41/76/1117874176.db2.gz NNOPYSXZTFRQQU-HNNXBMFYSA-N 2 1 286.419 3.704 20 0 CHADMP Cc1ccc2oc(C[NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)cc2c1 ZINC000623569595 1117874180 /nfs/dbraw/zinc/87/41/80/1117874180.db2.gz NNOPYSXZTFRQQU-HNNXBMFYSA-N 2 1 286.419 3.704 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000178183297 1117889484 /nfs/dbraw/zinc/88/94/84/1117889484.db2.gz RTEKNFDHTWXUKY-MAUKXSAKSA-N 2 1 285.435 3.815 20 0 CHADMP CC[N@H+](Cc1ccc(Cl)cc1)C[C@@H]1CCCN(C)C1 ZINC001208613866 1117889868 /nfs/dbraw/zinc/88/98/68/1117889868.db2.gz BOKUGSXIHLMLFE-OAHLLOKOSA-N 2 1 280.843 3.504 20 0 CHADMP CC[N@@H+](Cc1ccc(Cl)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC001208613866 1117889872 /nfs/dbraw/zinc/88/98/72/1117889872.db2.gz BOKUGSXIHLMLFE-OAHLLOKOSA-N 2 1 280.843 3.504 20 0 CHADMP CC[N@H+](Cc1ccc(Cl)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC001208613866 1117889875 /nfs/dbraw/zinc/88/98/75/1117889875.db2.gz BOKUGSXIHLMLFE-OAHLLOKOSA-N 2 1 280.843 3.504 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CCc1ccc(C)cc1 ZINC000178695562 1117894202 /nfs/dbraw/zinc/89/42/02/1117894202.db2.gz LYROXRBOSRNPIU-IAGOWNOFSA-N 2 1 299.462 3.747 20 0 CHADMP CCCn1ccnc1CCC[N@@H+](C)Cc1c(C)cccc1C ZINC000683224016 1117897929 /nfs/dbraw/zinc/89/79/29/1117897929.db2.gz ABBMVBHPVPFXTP-UHFFFAOYSA-N 2 1 299.462 3.975 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(C)cccc1C ZINC000683224016 1117897933 /nfs/dbraw/zinc/89/79/33/1117897933.db2.gz ABBMVBHPVPFXTP-UHFFFAOYSA-N 2 1 299.462 3.975 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(C)cccc1C ZINC000683224016 1117897941 /nfs/dbraw/zinc/89/79/41/1117897941.db2.gz ABBMVBHPVPFXTP-UHFFFAOYSA-N 2 1 299.462 3.975 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(C)ccc1C ZINC000623890455 1117952019 /nfs/dbraw/zinc/95/20/19/1117952019.db2.gz MSGNYQMZGSHVTR-SJLPKXTDSA-N 2 1 274.452 3.686 20 0 CHADMP CCSc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000339687675 1117954660 /nfs/dbraw/zinc/95/46/60/1117954660.db2.gz PXODYHBAARZNNQ-CYBMUJFWSA-N 2 1 289.448 3.654 20 0 CHADMP Cc1ccc(C2CC([NH2+]C[C@H]3CCCC[N@H+](C)C3)C2)cc1 ZINC000624122002 1117986180 /nfs/dbraw/zinc/98/61/80/1117986180.db2.gz HPWVTQFERJNYBS-IPJUCJBFSA-N 2 1 286.463 3.563 20 0 CHADMP Cc1ccc([C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C2CCC2)o1 ZINC000624121700 1117986292 /nfs/dbraw/zinc/98/62/92/1117986292.db2.gz BFIQCGFOXLKUAK-MAUKXSAKSA-N 2 1 290.451 3.751 20 0 CHADMP Cc1ccc([C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)C2CCC2)o1 ZINC000624121700 1117986297 /nfs/dbraw/zinc/98/62/97/1117986297.db2.gz BFIQCGFOXLKUAK-MAUKXSAKSA-N 2 1 290.451 3.751 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c2ccccc21 ZINC000624123333 1117987030 /nfs/dbraw/zinc/98/70/30/1117987030.db2.gz JYONPNPOVWKHCG-VKJFTORMSA-N 2 1 272.436 3.556 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccsc1 ZINC000624123555 1117987289 /nfs/dbraw/zinc/98/72/89/1117987289.db2.gz NZNWQVHZNACVSP-HIFRSBDPSA-N 2 1 266.454 3.521 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000315166415 1117988098 /nfs/dbraw/zinc/98/80/98/1117988098.db2.gz XONSDTRZFABJLK-MSOLQXFVSA-N 2 1 283.419 3.508 20 0 CHADMP C[C@@H]1C[C@H](N(C)C/C=C\Cl)CC[N@H+]1Cc1ccccc1 ZINC000255030216 1118002090 /nfs/dbraw/zinc/00/20/90/1118002090.db2.gz ZITOFNBEHQSHSQ-ULEBIONPSA-N 2 1 292.854 3.724 20 0 CHADMP CCC1(CC)C[N@H+](CCCCn2cc[nH+]c2C)CCS1 ZINC000362257887 1118005809 /nfs/dbraw/zinc/00/58/09/1118005809.db2.gz NLJDIAWASGLWGL-UHFFFAOYSA-N 2 1 295.496 3.579 20 0 CHADMP CCC1(CC)C[N@@H+](CCCCn2cc[nH+]c2C)CCS1 ZINC000362257887 1118005812 /nfs/dbraw/zinc/00/58/12/1118005812.db2.gz NLJDIAWASGLWGL-UHFFFAOYSA-N 2 1 295.496 3.579 20 0 CHADMP CC[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000579480504 1128749614 /nfs/dbraw/zinc/74/96/14/1128749614.db2.gz FRYHBVZUTIKICP-ZFWWWQNUSA-N 2 1 280.481 3.609 20 0 CHADMP CC[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000579480504 1128749617 /nfs/dbraw/zinc/74/96/17/1128749617.db2.gz FRYHBVZUTIKICP-ZFWWWQNUSA-N 2 1 280.481 3.609 20 0 CHADMP CC[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000579480504 1128749620 /nfs/dbraw/zinc/74/96/20/1128749620.db2.gz FRYHBVZUTIKICP-ZFWWWQNUSA-N 2 1 280.481 3.609 20 0 CHADMP CC[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000579480504 1128749622 /nfs/dbraw/zinc/74/96/22/1128749622.db2.gz FRYHBVZUTIKICP-ZFWWWQNUSA-N 2 1 280.481 3.609 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)[C@@H]1C ZINC000398221364 1118101214 /nfs/dbraw/zinc/10/12/14/1118101214.db2.gz SQDZZEFWWXADGV-LLLOQXOTSA-N 2 1 286.463 3.531 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[C@@H]1C ZINC000398221364 1118101215 /nfs/dbraw/zinc/10/12/15/1118101215.db2.gz SQDZZEFWWXADGV-LLLOQXOTSA-N 2 1 286.463 3.531 20 0 CHADMP CC(C)C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1F ZINC001167240212 1118114476 /nfs/dbraw/zinc/11/44/76/1118114476.db2.gz AMCAISBAIVEZEQ-KRWDZBQOSA-N 2 1 292.442 3.768 20 0 CHADMP CC(C)C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1F ZINC001167240212 1118114478 /nfs/dbraw/zinc/11/44/78/1118114478.db2.gz AMCAISBAIVEZEQ-KRWDZBQOSA-N 2 1 292.442 3.768 20 0 CHADMP CC(C)C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1F ZINC001167240212 1118114481 /nfs/dbraw/zinc/11/44/81/1118114481.db2.gz AMCAISBAIVEZEQ-KRWDZBQOSA-N 2 1 292.442 3.768 20 0 CHADMP CC(C)C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1F ZINC001167240212 1118114482 /nfs/dbraw/zinc/11/44/82/1118114482.db2.gz AMCAISBAIVEZEQ-KRWDZBQOSA-N 2 1 292.442 3.768 20 0 CHADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000312498813 1118114536 /nfs/dbraw/zinc/11/45/36/1118114536.db2.gz LENXLBQIYKEXMG-NEPJUHHUSA-N 2 1 297.512 3.597 20 0 CHADMP CC(C)[C@@H](C[NH2+][C@@H](C)CSC(C)(C)C)[NH+]1CCCC1 ZINC000764839279 1118120839 /nfs/dbraw/zinc/12/08/39/1118120839.db2.gz AOWXKDSGKNGLJM-LSDHHAIUSA-N 2 1 286.529 3.617 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC001648814908 1118222886 /nfs/dbraw/zinc/22/28/86/1118222886.db2.gz UIWRRQCFBNPTRT-IJTOGUNISA-N 2 1 278.484 3.523 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1CCCCC1 ZINC001648816707 1118228373 /nfs/dbraw/zinc/22/83/73/1118228373.db2.gz DZLRTCMOOQAEBG-OAHLLOKOSA-N 2 1 252.446 3.563 20 0 CHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)CC1CCCCC1 ZINC001648818489 1118229075 /nfs/dbraw/zinc/22/90/75/1118229075.db2.gz BACKKULSUICNPR-SZMVWBNQSA-N 2 1 278.484 3.809 20 0 CHADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)CC1CCCCC1 ZINC001648818489 1118229080 /nfs/dbraw/zinc/22/90/80/1118229080.db2.gz BACKKULSUICNPR-SZMVWBNQSA-N 2 1 278.484 3.809 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[C@H](C)C2)cc1F ZINC001648903638 1118274140 /nfs/dbraw/zinc/27/41/40/1118274140.db2.gz UUUYSJJEQIAYOA-SWLSCSKDSA-N 2 1 287.382 3.598 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)s1 ZINC000037649003 1118278354 /nfs/dbraw/zinc/27/83/54/1118278354.db2.gz QAWVEPSWFQTTAG-WDEREUQCSA-N 2 1 284.856 3.536 20 0 CHADMP CCC1(CC)CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000683691973 1118287691 /nfs/dbraw/zinc/28/76/91/1118287691.db2.gz MDMMDGXEBSSBKY-ALOPSCKCSA-N 2 1 278.484 3.950 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000671770526 1118363356 /nfs/dbraw/zinc/36/33/56/1118363356.db2.gz DLHGPTUQAAOGBD-HIFRSBDPSA-N 2 1 288.426 3.664 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000671770526 1118363359 /nfs/dbraw/zinc/36/33/59/1118363359.db2.gz DLHGPTUQAAOGBD-HIFRSBDPSA-N 2 1 288.426 3.664 20 0 CHADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC=C(c2ccccc2)C1 ZINC000556506952 1118384116 /nfs/dbraw/zinc/38/41/16/1118384116.db2.gz YLIXCEPOYIVGTL-IBGZPJMESA-N 2 1 284.447 3.650 20 0 CHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC=C(c2ccccc2)C1 ZINC000556506952 1118384119 /nfs/dbraw/zinc/38/41/19/1118384119.db2.gz YLIXCEPOYIVGTL-IBGZPJMESA-N 2 1 284.447 3.650 20 0 CHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000556506952 1118384123 /nfs/dbraw/zinc/38/41/23/1118384123.db2.gz YLIXCEPOYIVGTL-IBGZPJMESA-N 2 1 284.447 3.650 20 0 CHADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC=C(c2ccccc2)C1 ZINC000556506952 1118384127 /nfs/dbraw/zinc/38/41/27/1118384127.db2.gz YLIXCEPOYIVGTL-IBGZPJMESA-N 2 1 284.447 3.650 20 0 CHADMP CC1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000580193691 1118399060 /nfs/dbraw/zinc/39/90/60/1118399060.db2.gz PEONXLQERSQCSW-IIIMJFFVSA-N 2 1 284.447 3.572 20 0 CHADMP CC1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000580193691 1118399065 /nfs/dbraw/zinc/39/90/65/1118399065.db2.gz PEONXLQERSQCSW-IIIMJFFVSA-N 2 1 284.447 3.572 20 0 CHADMP C[NH+](C)C[C@H]1CC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000124936552 1118426177 /nfs/dbraw/zinc/42/61/77/1118426177.db2.gz CWHGTUNTAKRGEZ-QGZVFWFLSA-N 2 1 296.458 3.656 20 0 CHADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC001167425615 1118485854 /nfs/dbraw/zinc/48/58/54/1118485854.db2.gz RQKFMOSXCYDLIM-XDNAFOTISA-N 2 1 278.484 3.619 20 0 CHADMP CC[C@@H]1C[C@H]1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001167425615 1118485856 /nfs/dbraw/zinc/48/58/56/1118485856.db2.gz RQKFMOSXCYDLIM-XDNAFOTISA-N 2 1 278.484 3.619 20 0 CHADMP CC[C@@H]1C[C@H]1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001167425615 1118485857 /nfs/dbraw/zinc/48/58/57/1118485857.db2.gz RQKFMOSXCYDLIM-XDNAFOTISA-N 2 1 278.484 3.619 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC000580839338 1118512978 /nfs/dbraw/zinc/51/29/78/1118512978.db2.gz PXOYMNQNGCREIG-KRWDZBQOSA-N 2 1 266.473 3.621 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC000580839338 1118512983 /nfs/dbraw/zinc/51/29/83/1118512983.db2.gz PXOYMNQNGCREIG-KRWDZBQOSA-N 2 1 266.473 3.621 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2CC(C)=C[C@@H](C)C2)CC1 ZINC000581042435 1118535303 /nfs/dbraw/zinc/53/53/03/1118535303.db2.gz IPKZOJXIQNXWCK-NVXWUHKLSA-N 2 1 278.484 3.785 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)CCC(C)(C)C)C1 ZINC000306041022 1118583723 /nfs/dbraw/zinc/58/37/23/1118583723.db2.gz NGRJOWRHOPDJFB-HUUCEWRRSA-N 2 1 254.462 3.521 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)c(F)c1 ZINC000322342863 1118601426 /nfs/dbraw/zinc/60/14/26/1118601426.db2.gz CMNUBZBPLYLCBZ-NDNKKMJESA-N 2 1 296.817 3.755 20 0 CHADMP c1oc2ccccc2c1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656787000 1118659123 /nfs/dbraw/zinc/65/91/23/1118659123.db2.gz ZCFAVQVWZOAHCW-MRXNPFEDSA-N 2 1 298.430 3.644 20 0 CHADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(C2CCCC2)c1 ZINC000656786770 1118659193 /nfs/dbraw/zinc/65/91/93/1118659193.db2.gz QHHCQELRTRFOSH-HOCLYGCPSA-N 2 1 272.436 3.513 20 0 CHADMP Cc1ncc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)s1 ZINC000090402944 1118673800 /nfs/dbraw/zinc/67/38/00/1118673800.db2.gz MGMOROROPOHCLR-KBPBESRZSA-N 2 1 295.496 3.614 20 0 CHADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723699037 1118708546 /nfs/dbraw/zinc/70/85/46/1118708546.db2.gz LZEHRAGSGPEPAE-LSDHHAIUSA-N 2 1 268.404 3.572 20 0 CHADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)c2ccccc21 ZINC000131950215 1118777966 /nfs/dbraw/zinc/77/79/66/1118777966.db2.gz FEJWGHNWNCJPOM-JKSUJKDBSA-N 2 1 272.779 3.574 20 0 CHADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1CCCF)[NH+]1CCCC1 ZINC000510755336 1118808581 /nfs/dbraw/zinc/80/85/81/1118808581.db2.gz ORSPRPJBLPDRME-ZACQAIPSSA-N 2 1 284.463 3.615 20 0 CHADMP CCSc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000349599302 1118816762 /nfs/dbraw/zinc/81/67/62/1118816762.db2.gz NWPDVJMEMPOYJS-DLBZAZTESA-N 2 1 290.476 3.515 20 0 CHADMP CCSc1cccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000349599302 1118816767 /nfs/dbraw/zinc/81/67/67/1118816767.db2.gz NWPDVJMEMPOYJS-DLBZAZTESA-N 2 1 290.476 3.515 20 0 CHADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1Cl ZINC000132623587 1118852020 /nfs/dbraw/zinc/85/20/20/1118852020.db2.gz OYXGLDJYNDHKFI-NTZNESFSSA-N 2 1 284.806 3.612 20 0 CHADMP CCC[C@@H]([NH2+]CCCn1cc[nH+]c1C)C1CCCCC1 ZINC000511021165 1118956001 /nfs/dbraw/zinc/95/60/01/1118956001.db2.gz YMMQKVFDLTWWNF-QGZVFWFLSA-N 2 1 277.456 3.920 20 0 CHADMP CCc1cccc2cc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)oc21 ZINC000657307894 1118979625 /nfs/dbraw/zinc/97/96/25/1118979625.db2.gz UEKWCLCIUQXFMA-CQSZACIVSA-N 2 1 298.430 3.569 20 0 CHADMP CCc1cccc2cc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)oc21 ZINC000657307894 1118979629 /nfs/dbraw/zinc/97/96/29/1118979629.db2.gz UEKWCLCIUQXFMA-CQSZACIVSA-N 2 1 298.430 3.569 20 0 CHADMP Cc1nccn1CC[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000342584273 1119093235 /nfs/dbraw/zinc/09/32/35/1119093235.db2.gz RBOHYJSUAVTAMZ-CYBMUJFWSA-N 2 1 283.375 3.631 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000342584273 1119093237 /nfs/dbraw/zinc/09/32/37/1119093237.db2.gz RBOHYJSUAVTAMZ-CYBMUJFWSA-N 2 1 283.375 3.631 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000342584273 1119093239 /nfs/dbraw/zinc/09/32/39/1119093239.db2.gz RBOHYJSUAVTAMZ-CYBMUJFWSA-N 2 1 283.375 3.631 20 0 CHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)c1ccccn1 ZINC000626062747 1119136687 /nfs/dbraw/zinc/13/66/87/1119136687.db2.gz FEHMMZAGDWJGMW-INIZCTEOSA-N 2 1 297.446 3.726 20 0 CHADMP C([NH2+][C@@H]1CCCC[C@@H]1C1CC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663465112 1119145643 /nfs/dbraw/zinc/14/56/43/1119145643.db2.gz IBISMPHMZSYELW-QXAKKESOSA-N 2 1 290.495 3.667 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CCC(C)(C)C ZINC000342735445 1119148158 /nfs/dbraw/zinc/14/81/58/1119148158.db2.gz ORXVJFNLNPZWKA-KGLIPLIRSA-N 2 1 265.445 3.632 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccsc1 ZINC000663467088 1119148181 /nfs/dbraw/zinc/14/81/81/1119148181.db2.gz ZMPSLKGBERGTFX-WBVHZDCISA-N 2 1 292.492 3.911 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1CCC(C)C ZINC000342859316 1119212752 /nfs/dbraw/zinc/21/27/52/1119212752.db2.gz INJFFGUUFNUJCI-QGZVFWFLSA-N 2 1 277.456 3.872 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1CCC(C)C ZINC000342859316 1119212754 /nfs/dbraw/zinc/21/27/54/1119212754.db2.gz INJFFGUUFNUJCI-QGZVFWFLSA-N 2 1 277.456 3.872 20 0 CHADMP Cc1nccn1CCC[N@@H+](Cc1ccc(C)c(C)c1)C1CC1 ZINC000342863918 1119216637 /nfs/dbraw/zinc/21/66/37/1119216637.db2.gz KLLJYDAKMKBQEF-UHFFFAOYSA-N 2 1 297.446 3.863 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccc(C)c(C)c1)C1CC1 ZINC000342863918 1119216640 /nfs/dbraw/zinc/21/66/40/1119216640.db2.gz KLLJYDAKMKBQEF-UHFFFAOYSA-N 2 1 297.446 3.863 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccc(C)c(C)c1)C1CC1 ZINC000342863918 1119216643 /nfs/dbraw/zinc/21/66/43/1119216643.db2.gz KLLJYDAKMKBQEF-UHFFFAOYSA-N 2 1 297.446 3.863 20 0 CHADMP FC1(F)CCC([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000657677933 1119241024 /nfs/dbraw/zinc/24/10/24/1119241024.db2.gz JWMHDNOGOHXHLD-AWEZNQCLSA-N 2 1 286.410 3.561 20 0 CHADMP FC1(F)CCC([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000657677933 1119241026 /nfs/dbraw/zinc/24/10/26/1119241026.db2.gz JWMHDNOGOHXHLD-AWEZNQCLSA-N 2 1 286.410 3.561 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)C2(C)CC2)cc1F ZINC000153725162 1119281600 /nfs/dbraw/zinc/28/16/00/1119281600.db2.gz QEQIADLNYAWZPR-LBPRGKRZSA-N 2 1 287.382 3.598 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000123916717 1119305789 /nfs/dbraw/zinc/30/57/89/1119305789.db2.gz VPNWLPXVNMAFMV-HXUWFJFHSA-N 2 1 294.442 3.915 20 0 CHADMP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000583294976 1119337410 /nfs/dbraw/zinc/33/74/10/1119337410.db2.gz JAUAIWDOENWBFN-QRQLOZEOSA-N 2 1 286.463 3.534 20 0 CHADMP Cc1ccc([C@H](C)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000628272975 1128840335 /nfs/dbraw/zinc/84/03/35/1128840335.db2.gz FBGYULSLSITQPV-YJJAZYOBSA-N 2 1 286.463 3.656 20 0 CHADMP Cc1ccc([C@H](C)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000628272975 1128840341 /nfs/dbraw/zinc/84/03/41/1128840341.db2.gz FBGYULSLSITQPV-YJJAZYOBSA-N 2 1 286.463 3.656 20 0 CHADMP Cc1ccc([C@H](C)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000628272975 1128840344 /nfs/dbraw/zinc/84/03/44/1128840344.db2.gz FBGYULSLSITQPV-YJJAZYOBSA-N 2 1 286.463 3.656 20 0 CHADMP C(C[NH2+]C1CCCCC1)C[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000226877388 1119366388 /nfs/dbraw/zinc/36/63/88/1119366388.db2.gz YZJYVQVEXUKDFH-FUHWJXTLSA-N 2 1 278.484 3.953 20 0 CHADMP C(C[NH2+]C1CCCCC1)C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000226877388 1119366389 /nfs/dbraw/zinc/36/63/89/1119366389.db2.gz YZJYVQVEXUKDFH-FUHWJXTLSA-N 2 1 278.484 3.953 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+]C2CC3(CCC3)C2)CC1 ZINC000448067395 1119370930 /nfs/dbraw/zinc/37/09/30/1119370930.db2.gz IVANYHIIWXDJDK-UHFFFAOYSA-N 2 1 298.474 3.882 20 0 CHADMP Cc1cccc2c1CCC[C@H]2[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000657797287 1119419542 /nfs/dbraw/zinc/41/95/42/1119419542.db2.gz KMNJAYUOKTULPX-GOSISDBHSA-N 2 1 295.430 3.623 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@@H](C(C)C)[C@H](C)C1 ZINC000536138288 1119420168 /nfs/dbraw/zinc/42/01/68/1119420168.db2.gz XVKODLVDVQFBQE-AHCXZYCDSA-N 2 1 291.483 3.878 20 0 CHADMP CC[C@H](Cc1ccccc1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000252895710 1119424124 /nfs/dbraw/zinc/42/41/24/1119424124.db2.gz ZJRXEIQSZDNZAH-IEBWSBKVSA-N 2 1 288.479 3.862 20 0 CHADMP [NH3+]CC[C@@H]1CCC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000261856257 1119435286 /nfs/dbraw/zinc/43/52/86/1119435286.db2.gz FEIKOEBCZKYIBE-HNNXBMFYSA-N 2 1 292.426 3.817 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cs1 ZINC000381326299 1119448755 /nfs/dbraw/zinc/44/87/55/1119448755.db2.gz AEJSXGWZQSUQKF-UKRRQHHQSA-N 2 1 280.481 3.972 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cs1 ZINC000381326299 1119448758 /nfs/dbraw/zinc/44/87/58/1119448758.db2.gz AEJSXGWZQSUQKF-UKRRQHHQSA-N 2 1 280.481 3.972 20 0 CHADMP CC[NH+](CC)CCCC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000158429814 1119450570 /nfs/dbraw/zinc/45/05/70/1119450570.db2.gz NROSWKXWIUMJHY-UHFFFAOYSA-N 2 1 289.467 3.728 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1ccccc1F ZINC000168758541 1119475576 /nfs/dbraw/zinc/47/55/76/1119475576.db2.gz WXFAEAUQZLZYJF-RHSMWYFYSA-N 2 1 278.415 3.598 20 0 CHADMP CCOC1CCC([NH2+]C[C@H](CC(C)C)[NH+](CC)CC)CC1 ZINC000657835532 1119486954 /nfs/dbraw/zinc/48/69/54/1119486954.db2.gz XUZLRROHFRRZDJ-ADKAHSJRSA-N 2 1 298.515 3.680 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C(C)(C)C(F)F ZINC000657838465 1119496049 /nfs/dbraw/zinc/49/60/49/1119496049.db2.gz UHWBVNCLMCNVKZ-UONOGXRCSA-N 2 1 290.442 3.910 20 0 CHADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000657840317 1119502860 /nfs/dbraw/zinc/50/28/60/1119502860.db2.gz DQURTGFPWWZZJN-WBVHZDCISA-N 2 1 294.870 3.593 20 0 CHADMP C[C@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C(C)(C)C(F)F ZINC000657846219 1119506921 /nfs/dbraw/zinc/50/69/21/1119506921.db2.gz SRGUPNNXUILYAD-OLZOCXBDSA-N 2 1 290.442 3.766 20 0 CHADMP C[C@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1)C(C)(C)C(F)F ZINC000657846219 1119506923 /nfs/dbraw/zinc/50/69/23/1119506923.db2.gz SRGUPNNXUILYAD-OLZOCXBDSA-N 2 1 290.442 3.766 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1F ZINC000623444640 1119522877 /nfs/dbraw/zinc/52/28/77/1119522877.db2.gz NAFOPGNMBFMSSW-DZGCQCFKSA-N 2 1 278.415 3.658 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1F ZINC000623444640 1119522882 /nfs/dbraw/zinc/52/28/82/1119522882.db2.gz NAFOPGNMBFMSSW-DZGCQCFKSA-N 2 1 278.415 3.658 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCCC34CC4)C2)cc1 ZINC000657859665 1119536967 /nfs/dbraw/zinc/53/69/67/1119536967.db2.gz WSQKXDQNAGHAFG-RTBURBONSA-N 2 1 298.474 3.821 20 0 CHADMP C[C@@H](CC1CCC1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000128073245 1119537655 /nfs/dbraw/zinc/53/76/55/1119537655.db2.gz FZBCKGQJFBZHSY-INIZCTEOSA-N 2 1 286.463 3.819 20 0 CHADMP CC(C)CCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000685455217 1119610908 /nfs/dbraw/zinc/61/09/08/1119610908.db2.gz KXMFLCVIAMZXSL-HZPDHXFCSA-N 2 1 254.462 3.521 20 0 CHADMP CCCc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000685470719 1119612493 /nfs/dbraw/zinc/61/24/93/1119612493.db2.gz LBZSUMNTSXDGKY-OALUTQOASA-N 2 1 286.463 3.555 20 0 CHADMP CCCc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000685470719 1119612496 /nfs/dbraw/zinc/61/24/96/1119612496.db2.gz LBZSUMNTSXDGKY-OALUTQOASA-N 2 1 286.463 3.555 20 0 CHADMP CCCc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000685470719 1119612497 /nfs/dbraw/zinc/61/24/97/1119612497.db2.gz LBZSUMNTSXDGKY-OALUTQOASA-N 2 1 286.463 3.555 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)C(C)(C)C(F)F)C1 ZINC000657928493 1119644515 /nfs/dbraw/zinc/64/45/15/1119644515.db2.gz CQDCMYAZHRJCKA-ZIAGYGMSSA-N 2 1 290.442 3.624 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](CC)Cc1cccs1 ZINC000685665970 1119650476 /nfs/dbraw/zinc/65/04/76/1119650476.db2.gz FYKYUCGVYVQOFW-HUUCEWRRSA-N 2 1 282.497 3.779 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](CC)Cc1cccs1 ZINC000685665970 1119650479 /nfs/dbraw/zinc/65/04/79/1119650479.db2.gz FYKYUCGVYVQOFW-HUUCEWRRSA-N 2 1 282.497 3.779 20 0 CHADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(C(F)F)nc1 ZINC000658030736 1119666775 /nfs/dbraw/zinc/66/67/75/1119666775.db2.gz FZJVYRIADOOKTA-LBPRGKRZSA-N 2 1 297.393 3.544 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](c2ccccc2F)C(C)C)CC1 ZINC000658167192 1119695196 /nfs/dbraw/zinc/69/51/96/1119695196.db2.gz MRXYEHMODZXTQE-QGZVFWFLSA-N 2 1 278.415 3.597 20 0 CHADMP CC(C)CC1([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000658321529 1119723451 /nfs/dbraw/zinc/72/34/51/1119723451.db2.gz TWJZSTVZNDINBF-UHFFFAOYSA-N 2 1 286.463 3.819 20 0 CHADMP CC[C@@H](C)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309870953 1119839304 /nfs/dbraw/zinc/83/93/04/1119839304.db2.gz GRRGYIIUMKTDAN-AEFFLSMTSA-N 2 1 274.452 3.534 20 0 CHADMP CC[C@H]1C[N@@H+](Cc2cc3cc(C)c(C)cc3o2)CC[C@@H]1[NH3+] ZINC000647498330 1119850239 /nfs/dbraw/zinc/85/02/39/1119850239.db2.gz FMGZIRXGCAAAGJ-YOEHRIQHSA-N 2 1 286.419 3.609 20 0 CHADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1C[C@@H]1C ZINC000414102892 1119899645 /nfs/dbraw/zinc/89/96/45/1119899645.db2.gz DEVQZGYMPSXXEN-GRLWTPEZSA-N 2 1 278.484 3.664 20 0 CHADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccs1 ZINC000414173956 1119926536 /nfs/dbraw/zinc/92/65/36/1119926536.db2.gz HCNHUKZGLHBFQE-UONOGXRCSA-N 2 1 266.454 3.521 20 0 CHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000414183258 1119929797 /nfs/dbraw/zinc/92/97/97/1119929797.db2.gz NDUPEAUIPTVAJD-SUMWQHHRSA-N 2 1 292.854 3.649 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1Cl ZINC000414189023 1119931410 /nfs/dbraw/zinc/93/14/10/1119931410.db2.gz QVKCNCWNXXLJRV-ZIAGYGMSSA-N 2 1 280.843 3.723 20 0 CHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCc3cc(F)ccc32)C1 ZINC000414192079 1119931730 /nfs/dbraw/zinc/93/17/30/1119931730.db2.gz SIPMGRMGNLAOCJ-KSSFIOAISA-N 2 1 290.426 3.525 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000414201046 1119937838 /nfs/dbraw/zinc/93/78/38/1119937838.db2.gz YAPHEZWBHZXFPJ-KBPBESRZSA-N 2 1 280.481 3.693 20 0 CHADMP C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)CC1CCCCC1 ZINC000372209402 1119978389 /nfs/dbraw/zinc/97/83/89/1119978389.db2.gz BQUFEXVNWJQDSF-SJORKVTESA-N 2 1 264.457 3.563 20 0 CHADMP CCC[C@@]1(C)CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000472593506 1119994472 /nfs/dbraw/zinc/99/44/72/1119994472.db2.gz XIZGNXLCCFJIRY-IRXDYDNUSA-N 2 1 266.473 3.763 20 0 CHADMP CCC[C@@]1(C)CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000472593506 1119994476 /nfs/dbraw/zinc/99/44/76/1119994476.db2.gz XIZGNXLCCFJIRY-IRXDYDNUSA-N 2 1 266.473 3.763 20 0 CHADMP CCC[C@@]1(C)CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000472593506 1119994480 /nfs/dbraw/zinc/99/44/80/1119994480.db2.gz XIZGNXLCCFJIRY-IRXDYDNUSA-N 2 1 266.473 3.763 20 0 CHADMP CCc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647542982 1120004197 /nfs/dbraw/zinc/00/41/97/1120004197.db2.gz FQUGLIGCALNKNU-GJZGRUSLSA-N 2 1 292.492 3.522 20 0 CHADMP Cc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C2CCC2)cc1 ZINC000187187997 1120013300 /nfs/dbraw/zinc/01/33/00/1120013300.db2.gz NUYIGJOBGYWMMJ-LPHOPBHVSA-N 2 1 286.463 3.768 20 0 CHADMP C(CC1CCCCCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000377544647 1120051137 /nfs/dbraw/zinc/05/11/37/1120051137.db2.gz VMGMMOLREKTZCQ-SJORKVTESA-N 2 1 264.457 3.563 20 0 CHADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CC(C)(C)Cc3occc32)C1 ZINC000624120786 1120065551 /nfs/dbraw/zinc/06/55/51/1120065551.db2.gz GYXBOYCBWQVEIS-HOCLYGCPSA-N 2 1 290.451 3.615 20 0 CHADMP Cc1oc2ccccc2c1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623657237 1120065491 /nfs/dbraw/zinc/06/54/91/1120065491.db2.gz LWOLUEXMMMXCQY-OAHLLOKOSA-N 2 1 286.419 3.563 20 0 CHADMP c1ccc(CCCCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166472835 1120068812 /nfs/dbraw/zinc/06/88/12/1120068812.db2.gz GPIWJZKNUFTKHB-RTBURBONSA-N 2 1 286.463 3.616 20 0 CHADMP C[C@H](C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000472666151 1120138300 /nfs/dbraw/zinc/13/83/00/1120138300.db2.gz LAEHAJZGBHVBBQ-AEFFLSMTSA-N 2 1 274.452 3.596 20 0 CHADMP C[C@H](C[NH+](C)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000472666151 1120138301 /nfs/dbraw/zinc/13/83/01/1120138301.db2.gz LAEHAJZGBHVBBQ-AEFFLSMTSA-N 2 1 274.452 3.596 20 0 CHADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000474726186 1120150586 /nfs/dbraw/zinc/15/05/86/1120150586.db2.gz OABSADTXCJFTPK-HRCADAONSA-N 2 1 292.467 3.507 20 0 CHADMP CCc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000314408760 1120196783 /nfs/dbraw/zinc/19/67/83/1120196783.db2.gz UQPMSJLDARUEIT-KBPBESRZSA-N 2 1 288.435 3.844 20 0 CHADMP CC(C)C[C@H](C)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309852753 1120236041 /nfs/dbraw/zinc/23/60/41/1120236041.db2.gz BFVDHUHPAAIJEN-PKOBYXMFSA-N 2 1 288.479 3.923 20 0 CHADMP CCCCc1ccc(C[N@@H+](CCC)C[C@@H]2CC[NH2+]C2)s1 ZINC001236833923 1128902298 /nfs/dbraw/zinc/90/22/98/1128902298.db2.gz DIUQUVUKKDRYFP-OAHLLOKOSA-N 2 1 294.508 3.912 20 0 CHADMP CC(C)C[C@H](C)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000499545764 1120310871 /nfs/dbraw/zinc/31/08/71/1120310871.db2.gz CYIYZYMMHNFTBY-BQFCYCMXSA-N 2 1 278.484 3.617 20 0 CHADMP CC(C)C[C@H](C)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000499545764 1120310875 /nfs/dbraw/zinc/31/08/75/1120310875.db2.gz CYIYZYMMHNFTBY-BQFCYCMXSA-N 2 1 278.484 3.617 20 0 CHADMP CC(C)C[C@H](C)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000499545764 1120310881 /nfs/dbraw/zinc/31/08/81/1120310881.db2.gz CYIYZYMMHNFTBY-BQFCYCMXSA-N 2 1 278.484 3.617 20 0 CHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(SC)c2)C1 ZINC000659982437 1120323678 /nfs/dbraw/zinc/32/36/78/1120323678.db2.gz NAPQENFJYRZEEG-INIZCTEOSA-N 2 1 292.492 3.572 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(SC)c2)C1 ZINC000659982437 1120323680 /nfs/dbraw/zinc/32/36/80/1120323680.db2.gz NAPQENFJYRZEEG-INIZCTEOSA-N 2 1 292.492 3.572 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(SC)c2)C1 ZINC000659982437 1120323686 /nfs/dbraw/zinc/32/36/86/1120323686.db2.gz NAPQENFJYRZEEG-INIZCTEOSA-N 2 1 292.492 3.572 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(SC)c2)C1 ZINC000659982437 1120323692 /nfs/dbraw/zinc/32/36/92/1120323692.db2.gz NAPQENFJYRZEEG-INIZCTEOSA-N 2 1 292.492 3.572 20 0 CHADMP CC(C)(C)C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309643126 1120342870 /nfs/dbraw/zinc/34/28/70/1120342870.db2.gz CTSPSRLKYZHAKC-SFHVURJKSA-N 2 1 274.452 3.534 20 0 CHADMP Cc1sccc1C[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000339184605 1120351811 /nfs/dbraw/zinc/35/18/11/1120351811.db2.gz RDAPWSPBRXDLCW-KBPBESRZSA-N 2 1 280.481 3.514 20 0 CHADMP C[N@H+](CCC1CCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000660074426 1120363903 /nfs/dbraw/zinc/36/39/03/1120363903.db2.gz PYYMNFWOPZDGJT-UHFFFAOYSA-N 2 1 286.463 3.773 20 0 CHADMP C[N@@H+](CCC1CCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000660074426 1120363912 /nfs/dbraw/zinc/36/39/12/1120363912.db2.gz PYYMNFWOPZDGJT-UHFFFAOYSA-N 2 1 286.463 3.773 20 0 CHADMP C(=C\c1ccccc1)\C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000255506188 1120374038 /nfs/dbraw/zinc/37/40/38/1120374038.db2.gz ZZWDXPMKZHDACZ-SMTIMMHKSA-N 2 1 284.447 3.650 20 0 CHADMP C(=C\c1ccccc1)\C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000255506188 1120374040 /nfs/dbraw/zinc/37/40/40/1120374040.db2.gz ZZWDXPMKZHDACZ-SMTIMMHKSA-N 2 1 284.447 3.650 20 0 CHADMP CCCCCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185725267 1120382506 /nfs/dbraw/zinc/38/25/06/1120382506.db2.gz UOFUTKNBNHUFID-HOTGVXAUSA-N 2 1 266.473 3.809 20 0 CHADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000682376609 1120413909 /nfs/dbraw/zinc/41/39/09/1120413909.db2.gz LXLNUSWAXWSECQ-HHARLNAUSA-N 2 1 266.473 3.520 20 0 CHADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000682376609 1120413912 /nfs/dbraw/zinc/41/39/12/1120413912.db2.gz LXLNUSWAXWSECQ-HHARLNAUSA-N 2 1 266.473 3.520 20 0 CHADMP CCC[N@H+](CC)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417317176 1120424840 /nfs/dbraw/zinc/42/48/40/1120424840.db2.gz VXUULSKWOUXCJA-SOUVJXGZSA-N 2 1 280.481 3.562 20 0 CHADMP CCC[N@@H+](CC)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417317176 1120424844 /nfs/dbraw/zinc/42/48/44/1120424844.db2.gz VXUULSKWOUXCJA-SOUVJXGZSA-N 2 1 280.481 3.562 20 0 CHADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000019959342 1120499308 /nfs/dbraw/zinc/49/93/08/1120499308.db2.gz SMTLFAPBSXZUIJ-SNVBAGLBSA-N 2 1 275.223 3.596 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCSC2CCCCC2)C1 ZINC000500126431 1120516956 /nfs/dbraw/zinc/51/69/56/1120516956.db2.gz SQAYYQQAPMAZQC-INIZCTEOSA-N 2 1 298.540 3.716 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCSC2CCCCC2)C1 ZINC000500126431 1120516960 /nfs/dbraw/zinc/51/69/60/1120516960.db2.gz SQAYYQQAPMAZQC-INIZCTEOSA-N 2 1 298.540 3.716 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCSC2CCCCC2)C1 ZINC000500126431 1120516966 /nfs/dbraw/zinc/51/69/66/1120516966.db2.gz SQAYYQQAPMAZQC-INIZCTEOSA-N 2 1 298.540 3.716 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCNc1cc[nH+]c(C2CC2)c1 ZINC001167753711 1120548647 /nfs/dbraw/zinc/54/86/47/1120548647.db2.gz LZFGQEXZKDTXQS-AWEZNQCLSA-N 2 1 273.424 3.635 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCNc1ccccc1C(C)(C)[NH3+] ZINC001167755017 1120553340 /nfs/dbraw/zinc/55/33/40/1120553340.db2.gz YMIRCQRRICDYEC-HNNXBMFYSA-N 2 1 289.467 3.557 20 0 CHADMP C[N@@H+](C/C=C\c1ccc(Cl)cc1)CCC[NH+]1CCCC1 ZINC000499959010 1120562519 /nfs/dbraw/zinc/56/25/19/1120562519.db2.gz XDHYQUNGOPJKKP-XQRVVYSFSA-N 2 1 292.854 3.771 20 0 CHADMP C[N@H+](C/C=C\c1ccc(Cl)cc1)CCC[NH+]1CCCC1 ZINC000499959010 1120562523 /nfs/dbraw/zinc/56/25/23/1120562523.db2.gz XDHYQUNGOPJKKP-XQRVVYSFSA-N 2 1 292.854 3.771 20 0 CHADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CCCCCCC1 ZINC000759858172 1120588654 /nfs/dbraw/zinc/58/86/54/1120588654.db2.gz ZTLJWSQXPYEMGB-INIZCTEOSA-N 2 1 252.446 3.515 20 0 CHADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CCCCCCC1 ZINC000759858172 1120588658 /nfs/dbraw/zinc/58/86/58/1120588658.db2.gz ZTLJWSQXPYEMGB-INIZCTEOSA-N 2 1 252.446 3.515 20 0 CHADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C1CCCCCCC1 ZINC000759858172 1120588662 /nfs/dbraw/zinc/58/86/62/1120588662.db2.gz ZTLJWSQXPYEMGB-INIZCTEOSA-N 2 1 252.446 3.515 20 0 CHADMP CC[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)CC1 ZINC000226334583 1120602367 /nfs/dbraw/zinc/60/23/67/1120602367.db2.gz ZQDCZGQTJCTVIL-HZPDHXFCSA-N 2 1 254.462 3.665 20 0 CHADMP C[C@H](CC1CCCCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253355284 1128927789 /nfs/dbraw/zinc/92/77/89/1128927789.db2.gz UROLOEPFRDYNNB-OIISXLGYSA-N 2 1 264.457 3.562 20 0 CHADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)C1 ZINC000226334894 1120608473 /nfs/dbraw/zinc/60/84/73/1120608473.db2.gz PBGOESCDZTYCDD-IRXDYDNUSA-N 2 1 268.489 3.911 20 0 CHADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)C1 ZINC000226334887 1120611529 /nfs/dbraw/zinc/61/15/29/1120611529.db2.gz PBGOESCDZTYCDD-DLBZAZTESA-N 2 1 268.489 3.911 20 0 CHADMP Cc1cc(Cl)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000509066012 1120623650 /nfs/dbraw/zinc/62/36/50/1120623650.db2.gz CMQOAAKQIKGEAK-DOTOQJQBSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(Cl)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000509066012 1120623652 /nfs/dbraw/zinc/62/36/52/1120623652.db2.gz CMQOAAKQIKGEAK-DOTOQJQBSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000509066012 1120623655 /nfs/dbraw/zinc/62/36/55/1120623655.db2.gz CMQOAAKQIKGEAK-DOTOQJQBSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000509066012 1120623656 /nfs/dbraw/zinc/62/36/56/1120623656.db2.gz CMQOAAKQIKGEAK-DOTOQJQBSA-N 2 1 292.854 3.565 20 0 CHADMP C[NH+]1CCC2(CCC[N@@H+](CC/C=C\c3ccccc3)C2)CC1 ZINC000829444155 1120674112 /nfs/dbraw/zinc/67/41/12/1120674112.db2.gz XOEFJCTWNXEDCA-YHYXMXQVSA-N 2 1 298.474 3.898 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660657041 1120674158 /nfs/dbraw/zinc/67/41/58/1120674158.db2.gz ZOFJXLKSSXBVKM-WMLDXEAASA-N 2 1 292.854 3.819 20 0 CHADMP CC[C@]1(C)CCC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000651725173 1120727944 /nfs/dbraw/zinc/72/79/44/1120727944.db2.gz VIVJGJRHKABUHI-SLUKUZTOSA-N 2 1 264.457 3.560 20 0 CHADMP CC[C@]1(C)CCC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000651725173 1120727949 /nfs/dbraw/zinc/72/79/49/1120727949.db2.gz VIVJGJRHKABUHI-SLUKUZTOSA-N 2 1 264.457 3.560 20 0 CHADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(C(F)F)cc1 ZINC000651866027 1120767469 /nfs/dbraw/zinc/76/74/69/1120767469.db2.gz QXEBMNUNPXUFKH-UHFFFAOYSA-N 2 1 284.394 3.692 20 0 CHADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(C(F)F)cc1 ZINC000651866027 1120767471 /nfs/dbraw/zinc/76/74/71/1120767471.db2.gz QXEBMNUNPXUFKH-UHFFFAOYSA-N 2 1 284.394 3.692 20 0 CHADMP CC(C)C1CCC([N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)CC1 ZINC000228086230 1120774927 /nfs/dbraw/zinc/77/49/27/1120774927.db2.gz GVLBIYPMGACVEC-DAWZGUTISA-N 2 1 278.484 3.667 20 0 CHADMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1ccc(Cl)s1 ZINC000050953314 1120881802 /nfs/dbraw/zinc/88/18/02/1120881802.db2.gz DZAOWWGQQYDGSM-UHFFFAOYSA-N 2 1 286.872 3.613 20 0 CHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000662245807 1120910737 /nfs/dbraw/zinc/91/07/37/1120910737.db2.gz OZDIRMUXZNMJSC-PSBWJHGTSA-N 2 1 286.463 3.630 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCc2ccsc2)[C@@H]1CCC[NH3+] ZINC000662318413 1120926411 /nfs/dbraw/zinc/92/64/11/1120926411.db2.gz ZAZMKTMLSKRSLV-GDBMZVCRSA-N 2 1 280.481 3.520 20 0 CHADMP CC(C)c1cccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000663327752 1120934697 /nfs/dbraw/zinc/93/46/97/1120934697.db2.gz PFRXLWGDSQYCSK-UHFFFAOYSA-N 2 1 286.463 3.917 20 0 CHADMP c1c2ccccc2oc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347500 1120943032 /nfs/dbraw/zinc/94/30/32/1120943032.db2.gz MFTUXZJLXRVCAB-MRXNPFEDSA-N 2 1 298.430 3.644 20 0 CHADMP c1c2ccccc2oc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347500 1120943036 /nfs/dbraw/zinc/94/30/36/1120943036.db2.gz MFTUXZJLXRVCAB-MRXNPFEDSA-N 2 1 298.430 3.644 20 0 CHADMP C([NH2+][C@@H]1CCCC12CCCC2)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663465865 1120980981 /nfs/dbraw/zinc/98/09/81/1120980981.db2.gz LZOXZLRPPWCMRC-QZTJIDSGSA-N 2 1 290.495 3.811 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C1CCCCC1 ZINC000663466950 1120983145 /nfs/dbraw/zinc/98/31/45/1120983145.db2.gz BWKCXDSWMIXZNA-DOTOQJQBSA-N 2 1 278.484 3.667 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)o1 ZINC000663467559 1120983926 /nfs/dbraw/zinc/98/39/26/1120983926.db2.gz GSFWJCJJPCWDHZ-GDBMZVCRSA-N 2 1 290.451 3.615 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)o1 ZINC000663467559 1120983928 /nfs/dbraw/zinc/98/39/28/1120983928.db2.gz GSFWJCJJPCWDHZ-GDBMZVCRSA-N 2 1 290.451 3.615 20 0 CHADMP C[C@@H](CC1CCCC1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663470224 1120985209 /nfs/dbraw/zinc/98/52/09/1120985209.db2.gz TTXJHVYICVPVLQ-YJBOKZPZSA-N 2 1 278.484 3.667 20 0 CHADMP CC[C@H](C)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390812354 1120991578 /nfs/dbraw/zinc/99/15/78/1120991578.db2.gz XNYQWONUAMZBAN-BQFCYCMXSA-N 2 1 274.452 3.533 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1Cc2ccc(OC)cc2C1 ZINC001167825422 1120999263 /nfs/dbraw/zinc/99/92/63/1120999263.db2.gz IRLSLIIPZMBQMJ-HNNXBMFYSA-N 2 1 290.451 3.521 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)CCc1cccc(C)c1 ZINC001167825882 1121000474 /nfs/dbraw/zinc/00/04/74/1121000474.db2.gz LITXVANOQGITBN-SFHVURJKSA-N 2 1 290.495 3.980 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H]1c1ccccn1 ZINC001167827911 1121005448 /nfs/dbraw/zinc/00/54/48/1121005448.db2.gz ZLFQQNQZAJFFFT-AEFFLSMTSA-N 2 1 289.467 3.729 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCCC12CC2 ZINC001167837770 1121041300 /nfs/dbraw/zinc/04/13/00/1121041300.db2.gz MKPDIWMJSVGKGL-HNNXBMFYSA-N 2 1 252.446 3.515 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC2(CCC2)C1 ZINC001167842475 1121066234 /nfs/dbraw/zinc/06/62/34/1121066234.db2.gz XWPXFNXEJDIADZ-INIZCTEOSA-N 2 1 266.473 3.763 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000344158990 1121106792 /nfs/dbraw/zinc/10/67/92/1121106792.db2.gz CMBHDPMQWUJILR-SFHVURJKSA-N 2 1 297.446 3.688 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000344158990 1121106795 /nfs/dbraw/zinc/10/67/95/1121106795.db2.gz CMBHDPMQWUJILR-SFHVURJKSA-N 2 1 297.446 3.688 20 0 CHADMP Cc1nccn1CCCC[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000162849211 1121159453 /nfs/dbraw/zinc/15/94/53/1121159453.db2.gz JSSQIHVUFXRPPY-AWEZNQCLSA-N 2 1 287.407 3.790 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000162849211 1121159456 /nfs/dbraw/zinc/15/94/56/1121159456.db2.gz JSSQIHVUFXRPPY-AWEZNQCLSA-N 2 1 287.407 3.790 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000162849211 1121159460 /nfs/dbraw/zinc/15/94/60/1121159460.db2.gz JSSQIHVUFXRPPY-AWEZNQCLSA-N 2 1 287.407 3.790 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(CC)c1 ZINC000429239914 1121183239 /nfs/dbraw/zinc/18/32/39/1121183239.db2.gz WCQHRVKAYLEREO-UHFFFAOYSA-N 2 1 299.462 3.920 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(CC)c1 ZINC000429239914 1121183243 /nfs/dbraw/zinc/18/32/43/1121183243.db2.gz WCQHRVKAYLEREO-UHFFFAOYSA-N 2 1 299.462 3.920 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(C)(C)F ZINC000658193751 1121213749 /nfs/dbraw/zinc/21/37/49/1121213749.db2.gz YEUXABOCLFKRDG-RDJZCZTQSA-N 2 1 292.442 3.625 20 0 CHADMP CCOc1ccccc1[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000021790775 1121214579 /nfs/dbraw/zinc/21/45/79/1121214579.db2.gz IEPRKTZPMALOQR-MRXNPFEDSA-N 2 1 290.451 3.612 20 0 CHADMP CCC[C@H](C)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512244742 1121222951 /nfs/dbraw/zinc/22/29/51/1121222951.db2.gz OTXXSXFFNRHUGZ-HKUYNNGSSA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@@H]1CCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000675750197 1121349785 /nfs/dbraw/zinc/34/97/85/1121349785.db2.gz VAXUJECEYOQHCH-BRWVUGGUSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000675778306 1121355195 /nfs/dbraw/zinc/35/51/95/1121355195.db2.gz CIVDRYCIVNYYJS-MDZRGWNJSA-N 2 1 286.463 3.533 20 0 CHADMP C[N@@H+](CCC[NH2+]C1CCC(F)(F)CC1)C1CCCCC1 ZINC000647169585 1121436502 /nfs/dbraw/zinc/43/65/02/1121436502.db2.gz SOJVALYHTPKKOC-UHFFFAOYSA-N 2 1 288.426 3.809 20 0 CHADMP c1ccc2cc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)ccc2c1 ZINC000314701478 1121442026 /nfs/dbraw/zinc/44/20/26/1121442026.db2.gz JTHYPXPOKAWODC-VQTJNVASSA-N 2 1 294.442 3.804 20 0 CHADMP C[N@@H+](CCCCCC[NH3+])Cc1cccc(C(F)(F)F)c1 ZINC000710706360 1121474850 /nfs/dbraw/zinc/47/48/50/1121474850.db2.gz UYTIPXWFSWNNDO-UHFFFAOYSA-N 2 1 288.357 3.656 20 0 CHADMP CC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000512632102 1121499682 /nfs/dbraw/zinc/49/96/82/1121499682.db2.gz WZFPPCMYKDZNHK-GUDVDZBRSA-N 2 1 298.474 3.677 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512642953 1121505275 /nfs/dbraw/zinc/50/52/75/1121505275.db2.gz UNTLLEZRMNUHEZ-MTEHYEEQSA-N 2 1 298.474 3.533 20 0 CHADMP CCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512669171 1121520176 /nfs/dbraw/zinc/52/01/76/1121520176.db2.gz YZLWFGIGWQXOHV-IPMKNSEASA-N 2 1 286.463 3.677 20 0 CHADMP C[C@@H]1CC2(CCC2)C[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000433022710 1121522274 /nfs/dbraw/zinc/52/22/74/1121522274.db2.gz LNNZEAQTFPKYQS-OAHLLOKOSA-N 2 1 281.403 3.637 20 0 CHADMP Cc1ccc([C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C2CCCC2)o1 ZINC000543626729 1121534212 /nfs/dbraw/zinc/53/42/12/1121534212.db2.gz ISUDBDAKNKVJSR-GOSISDBHSA-N 2 1 288.435 3.671 20 0 CHADMP CCc1ccc([C@H]2CC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)cc1 ZINC000433084815 1121560312 /nfs/dbraw/zinc/56/03/12/1121560312.db2.gz UPLGJZZESWMHFW-RBUKOAKNSA-N 2 1 286.463 3.523 20 0 CHADMP CCc1ccc([C@H]2CC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC000433084815 1121560316 /nfs/dbraw/zinc/56/03/16/1121560316.db2.gz UPLGJZZESWMHFW-RBUKOAKNSA-N 2 1 286.463 3.523 20 0 CHADMP CCc1ccc([C@H]2CC[NH+](CC[C@H]3CCC[N@H+]3C)C2)cc1 ZINC000433084815 1121560321 /nfs/dbraw/zinc/56/03/21/1121560321.db2.gz UPLGJZZESWMHFW-RBUKOAKNSA-N 2 1 286.463 3.523 20 0 CHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167917108 1121561594 /nfs/dbraw/zinc/56/15/94/1121561594.db2.gz KIXOTSIURFJTHS-MANSERQUSA-N 2 1 298.474 3.675 20 0 CHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167917108 1121561596 /nfs/dbraw/zinc/56/15/96/1121561596.db2.gz KIXOTSIURFJTHS-MANSERQUSA-N 2 1 298.474 3.675 20 0 CHADMP Cc1nc(C[N@@H+](C)CCCCCC[NH3+])sc1C(C)(C)C ZINC000923424652 1121569909 /nfs/dbraw/zinc/56/99/09/1121569909.db2.gz HTFIEFWAMFRZGC-UHFFFAOYSA-N 2 1 297.512 3.700 20 0 CHADMP CC[N@@H+](c1ccc(N[C@H]2CC[NH+](C)[C@H](C)C2)cc1)C(C)C ZINC000182773674 1128997565 /nfs/dbraw/zinc/99/75/65/1128997565.db2.gz KSEPUJAKGHNZSS-WBVHZDCISA-N 2 1 289.467 3.816 20 0 CHADMP CC[N@H+](c1ccc(N[C@H]2CC[NH+](C)[C@H](C)C2)cc1)C(C)C ZINC000182773674 1128997567 /nfs/dbraw/zinc/99/75/67/1128997567.db2.gz KSEPUJAKGHNZSS-WBVHZDCISA-N 2 1 289.467 3.816 20 0 CHADMP CC[NH+](c1ccc(N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1)C(C)C ZINC000182773674 1128997569 /nfs/dbraw/zinc/99/75/69/1128997569.db2.gz KSEPUJAKGHNZSS-WBVHZDCISA-N 2 1 289.467 3.816 20 0 CHADMP CC[NH+](c1ccc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1)C(C)C ZINC000182773674 1128997572 /nfs/dbraw/zinc/99/75/72/1128997572.db2.gz KSEPUJAKGHNZSS-WBVHZDCISA-N 2 1 289.467 3.816 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@H](C)c2cccc(OCC)c2)CC1 ZINC000161616703 1121641877 /nfs/dbraw/zinc/64/18/77/1121641877.db2.gz WLVSJZYVXCJYJJ-OAHLLOKOSA-N 2 1 290.451 3.610 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2c(c1)CCCC2 ZINC000161643348 1121647295 /nfs/dbraw/zinc/64/72/95/1121647295.db2.gz GHQGOGPEJREOJE-CDHQVMDDSA-N 2 1 298.474 3.843 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1cccc(F)c1)C(C)(C)C ZINC000271839613 1121670251 /nfs/dbraw/zinc/67/02/51/1121670251.db2.gz YVIZLQOUIHLWFU-MRXNPFEDSA-N 2 1 289.398 3.708 20 0 CHADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cccc(OC(C)(C)C)c1 ZINC001177093421 1121712459 /nfs/dbraw/zinc/71/24/59/1121712459.db2.gz QYCZANXHSQQEDI-UHFFFAOYSA-N 2 1 292.467 3.541 20 0 CHADMP CCC(CC)[C@H](C[NH2+][C@H]1CCC[C@@H](SC)C1)[NH+](C)C ZINC001177209030 1121717053 /nfs/dbraw/zinc/71/70/53/1121717053.db2.gz FHQHOAJWGGYLSA-XHSDSOJGSA-N 2 1 286.529 3.617 20 0 CHADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001177261706 1121720707 /nfs/dbraw/zinc/72/07/07/1121720707.db2.gz ITINYCSDWKCGTK-BRSBDYLESA-N 2 1 280.500 3.911 20 0 CHADMP CC(C)[C@@H](C[NH2+][C@@H]1CC[C@H](C)SC1)[NH+]1CCC(C)CC1 ZINC001177257231 1121720613 /nfs/dbraw/zinc/72/06/13/1121720613.db2.gz SFQNQHJRUZPJCY-GVDBMIGSSA-N 2 1 298.540 3.617 20 0 CHADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001177261706 1121720709 /nfs/dbraw/zinc/72/07/09/1121720709.db2.gz ITINYCSDWKCGTK-BRSBDYLESA-N 2 1 280.500 3.911 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001177262567 1121722972 /nfs/dbraw/zinc/72/29/72/1121722972.db2.gz WJMUKXIKALSXRD-LEUOFYLZSA-N 2 1 278.484 3.689 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001177262567 1121722978 /nfs/dbraw/zinc/72/29/78/1121722978.db2.gz WJMUKXIKALSXRD-LEUOFYLZSA-N 2 1 278.484 3.689 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCC(CC)(CC)CC2)C1 ZINC001177318798 1121724059 /nfs/dbraw/zinc/72/40/59/1121724059.db2.gz CCPFGAVRUAPLBG-OAHLLOKOSA-N 2 1 266.473 3.667 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC001204933568 1121733286 /nfs/dbraw/zinc/73/32/86/1121733286.db2.gz VYZFGIWNZUTTBS-CYBMUJFWSA-N 2 1 274.433 3.523 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC001204933568 1121733292 /nfs/dbraw/zinc/73/32/92/1121733292.db2.gz VYZFGIWNZUTTBS-CYBMUJFWSA-N 2 1 274.433 3.523 20 0 CHADMP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC001178369148 1121781490 /nfs/dbraw/zinc/78/14/90/1121781490.db2.gz GFFPHVZCJPIYDD-ZACQAIPSSA-N 2 1 272.436 3.581 20 0 CHADMP Cc1ccc(C[NH2+]CC2(C[NH+](C)C)CCCC2)c(Cl)c1 ZINC001178448800 1121785147 /nfs/dbraw/zinc/78/51/47/1121785147.db2.gz CSNQUVKFZDODBZ-UHFFFAOYSA-N 2 1 294.870 3.860 20 0 CHADMP CCC(C)(C)C1CCC([NH+]2CC3(C2)CCC[NH2+]C3)CC1 ZINC000709994669 1121794542 /nfs/dbraw/zinc/79/45/42/1121794542.db2.gz CXSRHSGAGYPKLV-UHFFFAOYSA-N 2 1 278.484 3.667 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCC2(CCC2)CC1 ZINC001178831168 1121821382 /nfs/dbraw/zinc/82/13/82/1121821382.db2.gz KAVADPORZOCWKK-OAHLLOKOSA-N 2 1 266.473 3.809 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCC2(CCC2)CC1 ZINC001178831168 1121821389 /nfs/dbraw/zinc/82/13/89/1121821389.db2.gz KAVADPORZOCWKK-OAHLLOKOSA-N 2 1 266.473 3.809 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC001178855789 1121822236 /nfs/dbraw/zinc/82/22/36/1121822236.db2.gz PJQWVCNOTHAZSH-XUWVNRHRSA-N 2 1 254.462 3.521 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC001178855789 1121822243 /nfs/dbraw/zinc/82/22/43/1121822243.db2.gz PJQWVCNOTHAZSH-XUWVNRHRSA-N 2 1 254.462 3.521 20 0 CHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC001178916577 1121829617 /nfs/dbraw/zinc/82/96/17/1121829617.db2.gz IHMPZVWVNDLXDJ-KRWDZBQOSA-N 2 1 288.479 3.806 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C[C@@H](C)C1 ZINC001179266725 1121866087 /nfs/dbraw/zinc/86/60/87/1121866087.db2.gz WRHQOZFDLLEYHY-CIRFHOKZSA-N 2 1 278.484 3.523 20 0 CHADMP c1ccc2c(c1)cccc2[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647882018 1121880728 /nfs/dbraw/zinc/88/07/28/1121880728.db2.gz BKCGBZDCXAPNCL-KXBFYZLASA-N 2 1 280.415 3.586 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC001204247754 1121885928 /nfs/dbraw/zinc/88/59/28/1121885928.db2.gz BGGIDJURVQLPRJ-HKUYNNGSSA-N 2 1 288.479 3.508 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC001204247754 1121885937 /nfs/dbraw/zinc/88/59/37/1121885937.db2.gz BGGIDJURVQLPRJ-HKUYNNGSSA-N 2 1 288.479 3.508 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC001204247754 1121885947 /nfs/dbraw/zinc/88/59/47/1121885947.db2.gz BGGIDJURVQLPRJ-HKUYNNGSSA-N 2 1 288.479 3.508 20 0 CHADMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000710384631 1121985367 /nfs/dbraw/zinc/98/53/67/1121985367.db2.gz HPMVRKFJYITPLH-GFCCVEGCSA-N 2 1 287.234 3.567 20 0 CHADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000710384631 1121985370 /nfs/dbraw/zinc/98/53/70/1121985370.db2.gz HPMVRKFJYITPLH-GFCCVEGCSA-N 2 1 287.234 3.567 20 0 CHADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC001180513746 1121993069 /nfs/dbraw/zinc/99/30/69/1121993069.db2.gz KTPLTGSAHDUIIU-SFHVURJKSA-N 2 1 290.426 3.695 20 0 CHADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420299194 1121997229 /nfs/dbraw/zinc/99/72/29/1121997229.db2.gz IFQRJLCWHQGBPR-FUHWJXTLSA-N 2 1 274.452 3.705 20 0 CHADMP Clc1ccc([C@@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000420298107 1121998088 /nfs/dbraw/zinc/99/80/88/1121998088.db2.gz GSZMGYKHMFDWPV-GDBMZVCRSA-N 2 1 292.854 3.519 20 0 CHADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420311882 1121999284 /nfs/dbraw/zinc/99/92/84/1121999284.db2.gz WFMGLAZRIOIKLQ-FGTMMUONSA-N 2 1 286.463 3.563 20 0 CHADMP c1ccc([C@H]2CCCCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420315439 1121999816 /nfs/dbraw/zinc/99/98/16/1121999816.db2.gz LUMIUPWSDSGZPB-FUHWJXTLSA-N 2 1 272.436 3.603 20 0 CHADMP C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420314583 1121999938 /nfs/dbraw/zinc/99/99/38/1121999938.db2.gz ZBMNERCXZCBLCG-RKVPGOIHSA-N 2 1 290.426 3.598 20 0 CHADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCCc1cccc2ccccc21 ZINC000420362365 1122001532 /nfs/dbraw/zinc/00/15/32/1122001532.db2.gz NBSNRXDGVHDGJJ-GOSISDBHSA-N 2 1 284.447 3.735 20 0 CHADMP CC(C)C(C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)C(C)C ZINC001181243077 1122042709 /nfs/dbraw/zinc/04/27/09/1122042709.db2.gz FQXZMHDECWEFLK-UHFFFAOYSA-N 2 1 280.500 3.722 20 0 CHADMP C[C@H](CC1CCC1)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001181275856 1122046064 /nfs/dbraw/zinc/04/60/64/1122046064.db2.gz GOAROGKYOLAULD-QAPCUYQASA-N 2 1 278.484 3.952 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H]1C(C)=CCC[C@@H]1C ZINC001181514772 1122059448 /nfs/dbraw/zinc/05/94/48/1122059448.db2.gz OEUZBNTVNCBOKM-IRXDYDNUSA-N 2 1 266.473 3.643 20 0 CHADMP C[NH+]1CCC([NH2+]Cc2cccc(-c3ccccc3)c2)CC1 ZINC000237169950 1122076556 /nfs/dbraw/zinc/07/65/56/1122076556.db2.gz SMHCXIWRMQVOPJ-UHFFFAOYSA-N 2 1 280.415 3.537 20 0 CHADMP C([NH2+][C@@H]1CCC12CCC2)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000502387678 1122078017 /nfs/dbraw/zinc/07/80/17/1122078017.db2.gz BXXJUGDOMGJUGR-IAGOWNOFSA-N 2 1 276.468 3.706 20 0 CHADMP CC[C@@H]1C[C@@]1([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc(C)c1 ZINC000502479159 1122091742 /nfs/dbraw/zinc/09/17/42/1122091742.db2.gz DAPWMWPWFMNSPR-QRQLOZEOSA-N 2 1 286.463 3.694 20 0 CHADMP Cc1ccc(C)c([C@@H](C)[N@@H+](C)CC[C@@H]2CCC[NH+]2C)c1 ZINC000502690052 1122133784 /nfs/dbraw/zinc/13/37/84/1122133784.db2.gz PUOOZCVYZRAENL-SJORKVTESA-N 2 1 274.452 3.781 20 0 CHADMP Cc1ccc(C)c([C@@H](C)[NH+](C)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC000502690052 1122133787 /nfs/dbraw/zinc/13/37/87/1122133787.db2.gz PUOOZCVYZRAENL-SJORKVTESA-N 2 1 274.452 3.781 20 0 CHADMP Cc1ccc(C)c([C@@H](C)[NH+](C)CC[C@@H]2CCC[N@H+]2C)c1 ZINC000502690052 1122133791 /nfs/dbraw/zinc/13/37/91/1122133791.db2.gz PUOOZCVYZRAENL-SJORKVTESA-N 2 1 274.452 3.781 20 0 CHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC000502739235 1122144389 /nfs/dbraw/zinc/14/43/89/1122144389.db2.gz KTOGIEVPJCRYHU-QGZVFWFLSA-N 2 1 280.500 3.867 20 0 CHADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCC[C@@H]2C(C)(C)C)s1 ZINC000414542631 1122148234 /nfs/dbraw/zinc/14/82/34/1122148234.db2.gz YHJHBCYMENAGSQ-KBPBESRZSA-N 2 1 295.496 3.509 20 0 CHADMP CC(C)C[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000503038403 1122163398 /nfs/dbraw/zinc/16/33/98/1122163398.db2.gz VLBLKRAORPMFLC-AEFFLSMTSA-N 2 1 274.452 3.533 20 0 CHADMP CCCCC[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000503072938 1122166413 /nfs/dbraw/zinc/16/64/13/1122166413.db2.gz LOKKUDZGHJNISM-JKSUJKDBSA-N 2 1 252.446 3.515 20 0 CHADMP CC(C)[C@H]1CCC[NH+]1C/C=C\C[N@@H+]1CCC[C@H]1C(C)C ZINC000620140077 1129036106 /nfs/dbraw/zinc/03/61/06/1129036106.db2.gz HKBSAVAKNOZRSD-SPCWZHTESA-N 2 1 278.484 3.783 20 0 CHADMP CC(C)[C@H]1CCC[N@H+]1C/C=C\C[NH+]1CCC[C@H]1C(C)C ZINC000620140077 1129036109 /nfs/dbraw/zinc/03/61/09/1129036109.db2.gz HKBSAVAKNOZRSD-SPCWZHTESA-N 2 1 278.484 3.783 20 0 CHADMP CC(C)[C@H]1CCC[N@@H+]1C/C=C\C[NH+]1CCC[C@H]1C(C)C ZINC000620140077 1129036111 /nfs/dbraw/zinc/03/61/11/1129036111.db2.gz HKBSAVAKNOZRSD-SPCWZHTESA-N 2 1 278.484 3.783 20 0 CHADMP CCC[C@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(F)cc1F ZINC000271757316 1122174268 /nfs/dbraw/zinc/17/42/68/1122174268.db2.gz DRSHQGWISIODCI-INIZCTEOSA-N 2 1 293.361 3.601 20 0 CHADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2c2ccccc2Cl)CC[NH2+]1 ZINC000414681834 1122265804 /nfs/dbraw/zinc/26/58/04/1122265804.db2.gz WUHYYPJNYJPCPA-CKEIUWERSA-N 2 1 292.854 3.865 20 0 CHADMP CC[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414681635 1122265909 /nfs/dbraw/zinc/26/59/09/1122265909.db2.gz WGGUZMWWRBMZMQ-DZGCQCFKSA-N 2 1 280.843 3.550 20 0 CHADMP Cc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)ccc1Cl ZINC000503574037 1122268035 /nfs/dbraw/zinc/26/80/35/1122268035.db2.gz PIVUXJUBWZJOOF-UHFFFAOYSA-N 2 1 292.854 3.755 20 0 CHADMP C[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000503941526 1122280889 /nfs/dbraw/zinc/28/08/89/1122280889.db2.gz JRLARJRAIJLKSR-RACLHMPKSA-N 2 1 298.474 3.960 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205305008 1122290981 /nfs/dbraw/zinc/29/09/81/1122290981.db2.gz QMGOSBITWQJQGG-TZMCWYRMSA-N 2 1 288.460 3.626 20 0 CHADMP CCCC[C@@H](CCC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192942929 1129048342 /nfs/dbraw/zinc/04/83/42/1129048342.db2.gz LRBIMSPPQDVRTC-MGNMYUMUSA-N 2 1 266.473 3.808 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000513899439 1122367099 /nfs/dbraw/zinc/36/70/99/1122367099.db2.gz CPAJROQQIRVDKI-CQSZACIVSA-N 2 1 288.426 3.617 20 0 CHADMP C[C@H](CC1CCCCC1)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430115199 1122406288 /nfs/dbraw/zinc/40/62/88/1122406288.db2.gz FWQHXPHIHMUJBG-AEFFLSMTSA-N 2 1 278.484 3.621 20 0 CHADMP C[C@H](CC1CCCCC1)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000430115199 1122406292 /nfs/dbraw/zinc/40/62/92/1122406292.db2.gz FWQHXPHIHMUJBG-AEFFLSMTSA-N 2 1 278.484 3.621 20 0 CHADMP C[C@H](CC1CCCCC1)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000430115199 1122406295 /nfs/dbraw/zinc/40/62/95/1122406295.db2.gz FWQHXPHIHMUJBG-AEFFLSMTSA-N 2 1 278.484 3.621 20 0 CHADMP CCC[C@H](C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000430118185 1122407360 /nfs/dbraw/zinc/40/73/60/1122407360.db2.gz GGAOMSQERCTBPJ-MOPGFXCFSA-N 2 1 286.463 3.598 20 0 CHADMP CCC[C@H](C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000430118185 1122407362 /nfs/dbraw/zinc/40/73/62/1122407362.db2.gz GGAOMSQERCTBPJ-MOPGFXCFSA-N 2 1 286.463 3.598 20 0 CHADMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC000505621268 1122439945 /nfs/dbraw/zinc/43/99/45/1122439945.db2.gz QLRREQBSOMJKMQ-HNNXBMFYSA-N 2 1 262.441 3.533 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000435743209 1122487635 /nfs/dbraw/zinc/48/76/35/1122487635.db2.gz ZOAGBGAGYZHEFN-VYDXJSESSA-N 2 1 264.457 3.562 20 0 CHADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000436248845 1122526318 /nfs/dbraw/zinc/52/63/18/1122526318.db2.gz CDGHZXQGCKRWST-ZWKOTPCHSA-N 2 1 274.452 3.644 20 0 CHADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000436248845 1122526321 /nfs/dbraw/zinc/52/63/21/1122526321.db2.gz CDGHZXQGCKRWST-ZWKOTPCHSA-N 2 1 274.452 3.644 20 0 CHADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CCCC1 ZINC000436273775 1122532726 /nfs/dbraw/zinc/53/27/26/1122532726.db2.gz VBBGRLNNDCYRKI-ZWKOTPCHSA-N 2 1 286.463 3.787 20 0 CHADMP CCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000436305777 1122536183 /nfs/dbraw/zinc/53/61/83/1122536183.db2.gz HIQGDDCZSSTCFC-ZBFHGGJFSA-N 2 1 252.446 3.562 20 0 CHADMP CCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436305774 1122536292 /nfs/dbraw/zinc/53/62/92/1122536292.db2.gz HIQGDDCZSSTCFC-GOEBONIOSA-N 2 1 252.446 3.562 20 0 CHADMP C[NH+]1CCC([NH2+][C@H]2CC(C)(C)CCc3ccccc32)CC1 ZINC000436307825 1122538883 /nfs/dbraw/zinc/53/88/83/1122538883.db2.gz LQRDMOCMWLFUBQ-SFHVURJKSA-N 2 1 286.463 3.774 20 0 CHADMP CC[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C(C)C ZINC001190448046 1122540172 /nfs/dbraw/zinc/54/01/72/1122540172.db2.gz WEVMEERNVVSLMW-UHFFFAOYSA-N 2 1 274.452 3.903 20 0 CHADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000414179417 1129062931 /nfs/dbraw/zinc/06/29/31/1129062931.db2.gz KPJPZXPARJDJNG-FCGDIQPGSA-N 2 1 286.463 3.846 20 0 CHADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000414179417 1129062937 /nfs/dbraw/zinc/06/29/37/1129062937.db2.gz KPJPZXPARJDJNG-FCGDIQPGSA-N 2 1 286.463 3.846 20 0 CHADMP C[C@@H]1CCC[C@@H](CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC001191119776 1122574557 /nfs/dbraw/zinc/57/45/57/1122574557.db2.gz AXKDDXSLBYNUGC-FGTMMUONSA-N 2 1 278.484 3.621 20 0 CHADMP CC(C)Cc1ccccc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC001191176409 1122582793 /nfs/dbraw/zinc/58/27/93/1122582793.db2.gz XPTXTMPYGYPIAC-QGZVFWFLSA-N 2 1 288.479 3.659 20 0 CHADMP CC(C)Cc1ccccc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC001191176409 1122582797 /nfs/dbraw/zinc/58/27/97/1122582797.db2.gz XPTXTMPYGYPIAC-QGZVFWFLSA-N 2 1 288.479 3.659 20 0 CHADMP CC(C)Cc1ccccc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC001191176409 1122582800 /nfs/dbraw/zinc/58/28/00/1122582800.db2.gz XPTXTMPYGYPIAC-QGZVFWFLSA-N 2 1 288.479 3.659 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CC3CCC2CC3)C[C@H]1C ZINC001191416540 1122598629 /nfs/dbraw/zinc/59/86/29/1122598629.db2.gz JUBSQXDQKHLOMB-BNGPMPHDSA-N 2 1 278.484 3.617 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CC3CCC2CC3)C[C@H]1C ZINC001191416540 1122598632 /nfs/dbraw/zinc/59/86/32/1122598632.db2.gz JUBSQXDQKHLOMB-BNGPMPHDSA-N 2 1 278.484 3.617 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CC3CCC2CC3)C[C@H]1C ZINC001191416540 1122598635 /nfs/dbraw/zinc/59/86/35/1122598635.db2.gz JUBSQXDQKHLOMB-BNGPMPHDSA-N 2 1 278.484 3.617 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc(C)c1Cl ZINC001205591006 1122637322 /nfs/dbraw/zinc/63/73/22/1122637322.db2.gz BDEVAZQSPOQMDT-INIZCTEOSA-N 2 1 298.833 3.610 20 0 CHADMP CCCC[C@H](CC)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205602757 1122651146 /nfs/dbraw/zinc/65/11/46/1122651146.db2.gz MESPQXBKSYCFRF-JYJNAYRXSA-N 2 1 254.462 3.510 20 0 CHADMP CC(C)CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccoc1 ZINC000425917220 1122660016 /nfs/dbraw/zinc/66/00/16/1122660016.db2.gz GLLZDZMXVRZJIX-HOCLYGCPSA-N 2 1 266.429 3.544 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC[N@@H+]1C ZINC000438185461 1122685455 /nfs/dbraw/zinc/68/54/55/1122685455.db2.gz MGXDQDSBRSNZOI-YSHGAJCASA-N 2 1 286.463 3.569 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC[N@H+]1C ZINC000438185461 1122685457 /nfs/dbraw/zinc/68/54/57/1122685457.db2.gz MGXDQDSBRSNZOI-YSHGAJCASA-N 2 1 286.463 3.569 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](CC)[C@@H]1CCCC[C@@H]1C ZINC001193412577 1122690607 /nfs/dbraw/zinc/69/06/07/1122690607.db2.gz FOUQSSRCAPHSRU-JKSUJKDBSA-N 2 1 254.462 3.619 20 0 CHADMP Cc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c(C)c1 ZINC000506341536 1122721879 /nfs/dbraw/zinc/72/18/79/1122721879.db2.gz QJSOPAWVDQPRFN-UHFFFAOYSA-N 2 1 274.452 3.608 20 0 CHADMP CC(C)c1cccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205651234 1122727909 /nfs/dbraw/zinc/72/79/09/1122727909.db2.gz BFZIVWSGWCHVKW-MAUKXSAKSA-N 2 1 274.452 3.617 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)CC2CCCCCC2)CC1 ZINC000506378607 1122729473 /nfs/dbraw/zinc/72/94/73/1122729473.db2.gz FZFMVTKCXGRIKO-UHFFFAOYSA-N 2 1 266.473 3.761 20 0 CHADMP Cc1cc(F)cc(Cl)c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205652104 1122745676 /nfs/dbraw/zinc/74/56/76/1122745676.db2.gz ODWZMGNCKQICOH-WCQYABFASA-N 2 1 298.833 3.594 20 0 CHADMP Cc1c(C)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)ccc1Cl ZINC001205653994 1122750957 /nfs/dbraw/zinc/75/09/57/1122750957.db2.gz WFZSPKZHXDRFKH-WFASDCNBSA-N 2 1 294.870 3.764 20 0 CHADMP Cc1cc(F)cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1Cl ZINC001205654553 1122753411 /nfs/dbraw/zinc/75/34/11/1122753411.db2.gz XFADOIHNWFZTNI-YPMHNXCESA-N 2 1 298.833 3.594 20 0 CHADMP CC[NH+]1CCC([N@H+](C)Cc2ccc3ccccc3c2)CC1 ZINC000506647342 1122798626 /nfs/dbraw/zinc/79/86/26/1122798626.db2.gz VKRZNKUGIUHAGP-UHFFFAOYSA-N 2 1 282.431 3.756 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc3ccccc3c2)CC1 ZINC000506647342 1122798629 /nfs/dbraw/zinc/79/86/29/1122798629.db2.gz VKRZNKUGIUHAGP-UHFFFAOYSA-N 2 1 282.431 3.756 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc3ccccc3[nH]2)C1 ZINC000775626775 1122830159 /nfs/dbraw/zinc/83/01/59/1122830159.db2.gz JNDOUINVPDDDOB-HZPDHXFCSA-N 2 1 299.462 3.939 20 0 CHADMP Cc1cccc2c1C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167984376 1122919948 /nfs/dbraw/zinc/91/99/48/1122919948.db2.gz NYVHBMRQQBHWMO-DFNIBXOVSA-N 2 1 296.458 3.716 20 0 CHADMP Cc1cccc2c1C[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167984376 1122919950 /nfs/dbraw/zinc/91/99/50/1122919950.db2.gz NYVHBMRQQBHWMO-DFNIBXOVSA-N 2 1 296.458 3.716 20 0 CHADMP Cc1cccc2c1C[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167984376 1122919953 /nfs/dbraw/zinc/91/99/53/1122919953.db2.gz NYVHBMRQQBHWMO-DFNIBXOVSA-N 2 1 296.458 3.716 20 0 CHADMP C[N@H+]1CC[C@@H]2CN(Cc3cccc(C(C)(C)C)c3)CC[C@H]21 ZINC001197032845 1122943573 /nfs/dbraw/zinc/94/35/73/1122943573.db2.gz SYAWFTJZIDGSII-SJLPKXTDSA-N 2 1 286.463 3.510 20 0 CHADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(C(C)(C)C)c3)CC[C@H]21 ZINC001197032845 1122943575 /nfs/dbraw/zinc/94/35/75/1122943575.db2.gz SYAWFTJZIDGSII-SJLPKXTDSA-N 2 1 286.463 3.510 20 0 CHADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(C(C)(C)C)c3)CC[C@H]21 ZINC001197032845 1122943580 /nfs/dbraw/zinc/94/35/80/1122943580.db2.gz SYAWFTJZIDGSII-SJLPKXTDSA-N 2 1 286.463 3.510 20 0 CHADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(C(C)(C)C)c3)CC[C@H]21 ZINC001197032845 1122943584 /nfs/dbraw/zinc/94/35/84/1122943584.db2.gz SYAWFTJZIDGSII-SJLPKXTDSA-N 2 1 286.463 3.510 20 0 CHADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(C(C)(C)C)c3)CC[C@H]21 ZINC001197032845 1122943588 /nfs/dbraw/zinc/94/35/88/1122943588.db2.gz SYAWFTJZIDGSII-SJLPKXTDSA-N 2 1 286.463 3.510 20 0 CHADMP Cc1ccc(C)c(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000507341271 1122949479 /nfs/dbraw/zinc/94/94/79/1122949479.db2.gz QYFFMZSZRQPUOH-UHFFFAOYSA-N 2 1 274.452 3.608 20 0 CHADMP C[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)CCN1c1cc[nH+]cc1 ZINC001197378403 1122955843 /nfs/dbraw/zinc/95/58/43/1122955843.db2.gz YJBJFNKEBDXBIK-MRXNPFEDSA-N 2 1 299.462 3.563 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1C[C@H](c2ccccc2)CC1(C)C ZINC001198287983 1122985564 /nfs/dbraw/zinc/98/55/64/1122985564.db2.gz CXTAVSONKWXDQK-GOSISDBHSA-N 2 1 288.479 3.986 20 0 CHADMP c1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc(C2CCCC2)c1 ZINC001199198795 1123023139 /nfs/dbraw/zinc/02/31/39/1123023139.db2.gz TWKKOROFPBIWEF-KRWDZBQOSA-N 2 1 298.474 3.918 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205901693 1123060591 /nfs/dbraw/zinc/06/05/91/1123060591.db2.gz FDVBPJFTJWYEEN-UDLYIEAKSA-N 2 1 252.446 3.572 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205903058 1123066347 /nfs/dbraw/zinc/06/63/47/1123066347.db2.gz NFQNLNOKMLXZOF-UONOGXRCSA-N 2 1 288.460 3.769 20 0 CHADMP CCc1ccc(CC[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000441346443 1123080910 /nfs/dbraw/zinc/08/09/10/1123080910.db2.gz AFGDNDPANTZFJN-IBGZPJMESA-N 2 1 288.479 3.598 20 0 CHADMP CCc1ccc(CC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000441346443 1123080915 /nfs/dbraw/zinc/08/09/15/1123080915.db2.gz AFGDNDPANTZFJN-IBGZPJMESA-N 2 1 288.479 3.598 20 0 CHADMP CCc1ccc(CC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000441346443 1123080919 /nfs/dbraw/zinc/08/09/19/1123080919.db2.gz AFGDNDPANTZFJN-IBGZPJMESA-N 2 1 288.479 3.598 20 0 CHADMP CC[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167994340 1123103760 /nfs/dbraw/zinc/10/37/60/1123103760.db2.gz BUWCDLUNMVOBMY-NAZJXLNTSA-N 2 1 276.468 3.514 20 0 CHADMP CC[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167994340 1123103763 /nfs/dbraw/zinc/10/37/63/1123103763.db2.gz BUWCDLUNMVOBMY-NAZJXLNTSA-N 2 1 276.468 3.514 20 0 CHADMP CC[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167994340 1123103764 /nfs/dbraw/zinc/10/37/64/1123103764.db2.gz BUWCDLUNMVOBMY-NAZJXLNTSA-N 2 1 276.468 3.514 20 0 CHADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+](CC(C)C)CC1 ZINC001201476483 1123114804 /nfs/dbraw/zinc/11/48/04/1123114804.db2.gz DXEMWHJRGWCRCP-UHFFFAOYSA-N 2 1 274.452 3.629 20 0 CHADMP CC[C@@H](C)C[NH+]1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001201516782 1123120381 /nfs/dbraw/zinc/12/03/81/1123120381.db2.gz BGYQUHDXMTTZLC-OAHLLOKOSA-N 2 1 292.442 3.768 20 0 CHADMP CC[C@@H](C)C[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001201516782 1123120383 /nfs/dbraw/zinc/12/03/83/1123120383.db2.gz BGYQUHDXMTTZLC-OAHLLOKOSA-N 2 1 292.442 3.768 20 0 CHADMP CC[C@@H](C)C[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001201516337 1123120704 /nfs/dbraw/zinc/12/07/04/1123120704.db2.gz WWJNJCPLZORNIG-MRXNPFEDSA-N 2 1 286.463 3.555 20 0 CHADMP CC[C@@H](C)C[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001201516337 1123120707 /nfs/dbraw/zinc/12/07/07/1123120707.db2.gz WWJNJCPLZORNIG-MRXNPFEDSA-N 2 1 286.463 3.555 20 0 CHADMP CC(C)C[N@@H+](Cc1ccccc1)Cc1ccc(C[NH3+])cc1 ZINC001205923031 1123123258 /nfs/dbraw/zinc/12/32/58/1123123258.db2.gz GVYMEYIMTJXICE-UHFFFAOYSA-N 2 1 282.431 3.804 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C[C@H]1c1ccccc1 ZINC000414344031 1129101216 /nfs/dbraw/zinc/10/12/16/1129101216.db2.gz KCOKMQGGRLQBSS-MLHJIOFPSA-N 2 1 296.414 3.561 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C[C@H]1c1ccccc1 ZINC000414344031 1129101217 /nfs/dbraw/zinc/10/12/17/1129101217.db2.gz KCOKMQGGRLQBSS-MLHJIOFPSA-N 2 1 296.414 3.561 20 0 CHADMP CC[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C)c(F)c1 ZINC001201715666 1123139783 /nfs/dbraw/zinc/13/97/83/1123139783.db2.gz ZSZMLIHLOYWAFM-XYJFISCASA-N 2 1 290.426 3.802 20 0 CHADMP CCCCC[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001201737468 1123143246 /nfs/dbraw/zinc/14/32/46/1123143246.db2.gz OTYSMZFYSRUQHN-JKSUJKDBSA-N 2 1 252.446 3.515 20 0 CHADMP CCCCC[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001201737468 1123143248 /nfs/dbraw/zinc/14/32/48/1123143248.db2.gz OTYSMZFYSRUQHN-JKSUJKDBSA-N 2 1 252.446 3.515 20 0 CHADMP CCCCC[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001201737468 1123143249 /nfs/dbraw/zinc/14/32/49/1123143249.db2.gz OTYSMZFYSRUQHN-JKSUJKDBSA-N 2 1 252.446 3.515 20 0 CHADMP CCCCC[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001201735181 1123149302 /nfs/dbraw/zinc/14/93/02/1123149302.db2.gz QZDMJTDLHAKCFS-UHFFFAOYSA-N 2 1 274.452 3.773 20 0 CHADMP CCCCC[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001201734518 1123149661 /nfs/dbraw/zinc/14/96/61/1123149661.db2.gz DZDZWIHAKVYQRH-INIZCTEOSA-N 2 1 252.446 3.517 20 0 CHADMP CC[NH+](CC)CCC[N@H+](CC)[C@H](C)c1cccc(O)c1 ZINC000190574646 1123154543 /nfs/dbraw/zinc/15/45/43/1123154543.db2.gz UYAOZRPVADAMTB-OAHLLOKOSA-N 2 1 278.440 3.507 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](CC)[C@H](C)c1cccc(O)c1 ZINC000190574646 1123154545 /nfs/dbraw/zinc/15/45/45/1123154545.db2.gz UYAOZRPVADAMTB-OAHLLOKOSA-N 2 1 278.440 3.507 20 0 CHADMP CC(C)(C)CC[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001202086548 1123173642 /nfs/dbraw/zinc/17/36/42/1123173642.db2.gz FDMYZCKIFNOCOM-INIZCTEOSA-N 2 1 266.473 3.763 20 0 CHADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CC3CCC(CC3)C1)C2 ZINC001168003805 1123175737 /nfs/dbraw/zinc/17/57/37/1123175737.db2.gz RDCCMCVEPJHQBG-JTEKQCGQSA-N 2 1 288.479 3.514 20 0 CHADMP CC1(C)CC[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000520580655 1123178245 /nfs/dbraw/zinc/17/82/45/1123178245.db2.gz FTFJJFUCFYYXFI-QZTJIDSGSA-N 2 1 298.474 3.962 20 0 CHADMP CC1(C)CC[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000520580655 1123178247 /nfs/dbraw/zinc/17/82/47/1123178247.db2.gz FTFJJFUCFYYXFI-QZTJIDSGSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CC2CCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168009168 1123230646 /nfs/dbraw/zinc/23/06/46/1123230646.db2.gz YWMDZNRTEZSATR-HGKCTWBKSA-N 2 1 286.463 3.818 20 0 CHADMP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CC2([NH3+])CCCC2)c1 ZINC000665248972 1123259237 /nfs/dbraw/zinc/25/92/37/1123259237.db2.gz GYNVCCWOVHVVEQ-GFCCVEGCSA-N 2 1 298.377 3.519 20 0 CHADMP CC(C)(C)C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000665278194 1123308615 /nfs/dbraw/zinc/30/86/15/1123308615.db2.gz XWQPZEWZYDNUTB-BFHRDPOASA-N 2 1 272.436 3.506 20 0 CHADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)c2ccccc21 ZINC000521225887 1123312807 /nfs/dbraw/zinc/31/28/07/1123312807.db2.gz GKJXQGYIAANPLB-KURKYZTESA-N 2 1 282.362 3.547 20 0 CHADMP CCC(CC)[C@H](C[NH2+]C1CCC(C(F)F)CC1)[NH+](C)C ZINC000442718471 1123336396 /nfs/dbraw/zinc/33/63/96/1123336396.db2.gz OWRNFNDKFIWRQA-NRXISQOPSA-N 2 1 290.442 3.766 20 0 CHADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1C(F)(F)F ZINC000271904028 1129115458 /nfs/dbraw/zinc/11/54/58/1129115458.db2.gz WDQLPJPIXOZXRF-GFCCVEGCSA-N 2 1 298.352 3.618 20 0 CHADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000442919933 1123349456 /nfs/dbraw/zinc/34/94/56/1123349456.db2.gz KLDHZRQKBDYKPC-LBPRGKRZSA-N 2 1 292.810 3.647 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2c3ccccc3-c3ccccc32)CCN1C ZINC000388871748 1123382936 /nfs/dbraw/zinc/38/29/36/1123382936.db2.gz QCNXXHBMTHCELD-HUUCEWRRSA-N 2 1 292.426 3.829 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000443413251 1123398414 /nfs/dbraw/zinc/39/84/14/1123398414.db2.gz FPSLWHXLJDUTJS-HRCADAONSA-N 2 1 273.424 3.582 20 0 CHADMP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)C2)cc1 ZINC000852748418 1123415259 /nfs/dbraw/zinc/41/52/59/1123415259.db2.gz VDBVCKLLYXYBRE-MISYRCLQSA-N 2 1 298.474 3.646 20 0 CHADMP CC(C)=CC[N@H+](C)[C@@H]1CCC[NH+](CC=C(C)C)CC1 ZINC000156958648 1129120335 /nfs/dbraw/zinc/12/03/35/1129120335.db2.gz COMVDTFAIMSTOK-QGZVFWFLSA-N 2 1 264.457 3.705 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC2(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168020894 1123420758 /nfs/dbraw/zinc/42/07/58/1123420758.db2.gz OKBZQYWGUFUFBI-MVJTYMMSSA-N 2 1 286.463 3.816 20 0 CHADMP CCCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853240652 1123429441 /nfs/dbraw/zinc/42/94/41/1123429441.db2.gz QEEPQUVBPBXUOU-NVXWUHKLSA-N 2 1 266.473 3.667 20 0 CHADMP Cc1ccc2cc(C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)[nH]c2c1 ZINC000143677628 1123438888 /nfs/dbraw/zinc/43/88/88/1123438888.db2.gz RFVQQSPGHPGTRD-ZNXRZULTSA-N 2 1 297.446 3.581 20 0 CHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000111300070 1123439414 /nfs/dbraw/zinc/43/94/14/1123439414.db2.gz YPQTXJUALKCBOZ-HNNXBMFYSA-N 2 1 272.436 3.744 20 0 CHADMP CC[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC001648959938 1123439465 /nfs/dbraw/zinc/43/94/65/1123439465.db2.gz GEEIIJLOEOLHQE-DLBZAZTESA-N 2 1 274.452 3.502 20 0 CHADMP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1F ZINC000895346930 1123463205 /nfs/dbraw/zinc/46/32/05/1123463205.db2.gz OQWYQXVDAAGYQS-MUSFGAPCSA-N 2 1 290.426 3.738 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCC(C)(C)C)C1 ZINC000582196465 1123469360 /nfs/dbraw/zinc/46/93/60/1123469360.db2.gz AGADJROJZMAWJA-LSDHHAIUSA-N 2 1 254.462 3.523 20 0 CHADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(Cl)cccc2CC)C1 ZINC000474348498 1123509811 /nfs/dbraw/zinc/50/98/11/1123509811.db2.gz MSUACQMQNPVHQU-CQSZACIVSA-N 2 1 294.870 3.724 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(Cl)cccc2CC)C1 ZINC000474348498 1123509815 /nfs/dbraw/zinc/50/98/15/1123509815.db2.gz MSUACQMQNPVHQU-CQSZACIVSA-N 2 1 294.870 3.724 20 0 CHADMP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000895821672 1123517801 /nfs/dbraw/zinc/51/78/01/1123517801.db2.gz HFVPIGMUCBNSMF-UHFFFAOYSA-N 2 1 297.446 3.618 20 0 CHADMP COC1(C[C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CCC1 ZINC000429523499 1123532024 /nfs/dbraw/zinc/53/20/24/1123532024.db2.gz SDOUTGQDZWSGOC-IRXDYDNUSA-N 2 1 296.499 3.578 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H](C)c2ccc(Cl)cc2)C1 ZINC000474485166 1123538381 /nfs/dbraw/zinc/53/83/81/1123538381.db2.gz CYKDXZGFMZIHQW-RRFJBIMHSA-N 2 1 294.870 3.763 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@@H+]([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000429529710 1123547248 /nfs/dbraw/zinc/54/72/48/1123547248.db2.gz QEPOZRJYEAKREA-DOTOQJQBSA-N 2 1 292.854 3.743 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@H+]([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000429529710 1123547252 /nfs/dbraw/zinc/54/72/52/1123547252.db2.gz QEPOZRJYEAKREA-DOTOQJQBSA-N 2 1 292.854 3.743 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](C(C)C)C2)C1 ZINC000474628598 1123561583 /nfs/dbraw/zinc/56/15/83/1123561583.db2.gz LNTTWJVJZXVJFU-ZACQAIPSSA-N 2 1 266.473 3.523 20 0 CHADMP CCc1cccc(F)c1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000474709495 1123575575 /nfs/dbraw/zinc/57/55/75/1123575575.db2.gz HEGDQUBHHYXDLS-OAHLLOKOSA-N 2 1 292.442 3.598 20 0 CHADMP CCc1cccc(F)c1C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000474709495 1123575571 /nfs/dbraw/zinc/57/55/71/1123575571.db2.gz HEGDQUBHHYXDLS-OAHLLOKOSA-N 2 1 292.442 3.598 20 0 CHADMP CCc1cccc(F)c1C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000474709493 1123575794 /nfs/dbraw/zinc/57/57/94/1123575794.db2.gz HEGDQUBHHYXDLS-HNNXBMFYSA-N 2 1 292.442 3.598 20 0 CHADMP CCc1cccc(F)c1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000474709493 1123575796 /nfs/dbraw/zinc/57/57/96/1123575796.db2.gz HEGDQUBHHYXDLS-HNNXBMFYSA-N 2 1 292.442 3.598 20 0 CHADMP CCC[C@@H](C)CCC[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000858345967 1123647323 /nfs/dbraw/zinc/64/73/23/1123647323.db2.gz DNBYBWDSKXXPHQ-CABCVRRESA-N 2 1 254.462 3.665 20 0 CHADMP CCCc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000443887013 1123647327 /nfs/dbraw/zinc/64/73/27/1123647327.db2.gz FTUZVBACLRUILC-GDBMZVCRSA-N 2 1 297.446 3.504 20 0 CHADMP CCCC[N@@H+](CCn1ccnc1C)Cc1ccccc1F ZINC000346314513 1123679325 /nfs/dbraw/zinc/67/93/25/1123679325.db2.gz RFXMOJLPGJINBN-UHFFFAOYSA-N 2 1 289.398 3.633 20 0 CHADMP CCCC[N@@H+](CCn1cc[nH+]c1C)Cc1ccccc1F ZINC000346314513 1123679332 /nfs/dbraw/zinc/67/93/32/1123679332.db2.gz RFXMOJLPGJINBN-UHFFFAOYSA-N 2 1 289.398 3.633 20 0 CHADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000158128357 1129139955 /nfs/dbraw/zinc/13/99/55/1129139955.db2.gz OXJSLSKADDNPOP-GXTWGEPZSA-N 2 1 295.496 3.567 20 0 CHADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000158128357 1129139957 /nfs/dbraw/zinc/13/99/57/1129139957.db2.gz OXJSLSKADDNPOP-GXTWGEPZSA-N 2 1 295.496 3.567 20 0 CHADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cccc(-c2ccncc2)c1 ZINC000346686665 1123708914 /nfs/dbraw/zinc/70/89/14/1123708914.db2.gz SASRBXAZFRGZDX-IBGZPJMESA-N 2 1 297.446 3.554 20 0 CHADMP CC1(C)CCCC[C@H]1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC001307483650 1123726477 /nfs/dbraw/zinc/72/64/77/1123726477.db2.gz SGUTXZKRALZLPQ-SJORKVTESA-N 2 1 278.484 3.621 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)s2)CC[C@@H]1[NH3+] ZINC000347008746 1123741669 /nfs/dbraw/zinc/74/16/69/1123741669.db2.gz SDUFJWBBAFBPTN-CJNGLKHVSA-N 2 1 286.444 3.584 20 0 CHADMP C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(-c2ccccc2)o1 ZINC000158249819 1129142468 /nfs/dbraw/zinc/14/24/68/1129142468.db2.gz UGPQBWWWQBCOBF-JKSUJKDBSA-N 2 1 298.430 3.939 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc(-c2ccccc2)o1 ZINC000158249819 1129142472 /nfs/dbraw/zinc/14/24/72/1129142472.db2.gz UGPQBWWWQBCOBF-JKSUJKDBSA-N 2 1 298.430 3.939 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(-c2ccccc2)o1 ZINC000158249819 1129142474 /nfs/dbraw/zinc/14/24/74/1129142474.db2.gz UGPQBWWWQBCOBF-JKSUJKDBSA-N 2 1 298.430 3.939 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(-c2ccccc2)o1 ZINC000158249819 1129142478 /nfs/dbraw/zinc/14/24/78/1129142478.db2.gz UGPQBWWWQBCOBF-JKSUJKDBSA-N 2 1 298.430 3.939 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)s1 ZINC000042290399 1123783396 /nfs/dbraw/zinc/78/33/96/1123783396.db2.gz KHWWLYYQSXTRRC-ZDUSSCGKSA-N 2 1 280.481 3.834 20 0 CHADMP C[NH+]1CCC2(CCC[N@H+]2CC2CCCCCC2)CC1 ZINC000475123591 1123797403 /nfs/dbraw/zinc/79/74/03/1123797403.db2.gz YCXPJRLCEZQTTI-UHFFFAOYSA-N 2 1 264.457 3.517 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc3ccccc32)CC1 ZINC000429549916 1123822793 /nfs/dbraw/zinc/82/27/93/1123822793.db2.gz QDZKIUNUSASGIK-GOSISDBHSA-N 2 1 282.431 3.756 20 0 CHADMP CCCCCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000119041852 1123826242 /nfs/dbraw/zinc/82/62/42/1123826242.db2.gz HHHOJFIWEIGBFJ-MRXNPFEDSA-N 2 1 252.446 3.517 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158803102 1129152951 /nfs/dbraw/zinc/15/29/51/1129152951.db2.gz FIILCIXDPWRYDV-FRFSOERESA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158803102 1129152954 /nfs/dbraw/zinc/15/29/54/1129152954.db2.gz FIILCIXDPWRYDV-FRFSOERESA-N 2 1 292.854 3.817 20 0 CHADMP CCC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccccn1 ZINC000158724110 1129150555 /nfs/dbraw/zinc/15/05/55/1129150555.db2.gz DYZQNTUONAFBDG-DLBZAZTESA-N 2 1 289.467 3.634 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158803102 1129152956 /nfs/dbraw/zinc/15/29/56/1129152956.db2.gz FIILCIXDPWRYDV-FRFSOERESA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158803102 1129152959 /nfs/dbraw/zinc/15/29/59/1129152959.db2.gz FIILCIXDPWRYDV-FRFSOERESA-N 2 1 292.854 3.817 20 0 CHADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3occc32)C1 ZINC000193035208 1123870586 /nfs/dbraw/zinc/87/05/86/1123870586.db2.gz DIGLUXCLJVHPPB-DOTOQJQBSA-N 2 1 290.451 3.615 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3occc32)C1 ZINC000193035208 1123870591 /nfs/dbraw/zinc/87/05/91/1123870591.db2.gz DIGLUXCLJVHPPB-DOTOQJQBSA-N 2 1 290.451 3.615 20 0 CHADMP CC[NH+](CC)Cc1cccc(CNc2cc(C)[nH+]c(C)n2)c1 ZINC000301104560 1123874717 /nfs/dbraw/zinc/87/47/17/1123874717.db2.gz SALCNFDFKDPMLP-UHFFFAOYSA-N 2 1 298.434 3.547 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+](C)C(C)C)CCC2 ZINC000339066247 1123921857 /nfs/dbraw/zinc/92/18/57/1123921857.db2.gz JJKWHTYWZGZLNM-GOSISDBHSA-N 2 1 274.452 3.692 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cc(C)ccn1 ZINC000866281198 1124047518 /nfs/dbraw/zinc/04/75/18/1124047518.db2.gz FWKJWIOEDWPDLP-ZACQAIPSSA-N 2 1 289.467 3.694 20 0 CHADMP Cc1nccn1CCCC[N@H+](C)Cc1cc(C)ccc1F ZINC000444743741 1124058778 /nfs/dbraw/zinc/05/87/78/1124058778.db2.gz MMWHOKXKDWNCNZ-UHFFFAOYSA-N 2 1 289.398 3.551 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1cc(C)ccc1F ZINC000444743741 1124058784 /nfs/dbraw/zinc/05/87/84/1124058784.db2.gz MMWHOKXKDWNCNZ-UHFFFAOYSA-N 2 1 289.398 3.551 20 0 CHADMP CCCc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)s1 ZINC000621331963 1129164346 /nfs/dbraw/zinc/16/43/46/1129164346.db2.gz WFJGXLXWKYXDEQ-CQSZACIVSA-N 2 1 280.481 3.521 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC(CC)(CC)C(F)(F)F)[C@H](C)C1 ZINC000866505669 1124074036 /nfs/dbraw/zinc/07/40/36/1124074036.db2.gz RJJNHPCMYFSCNZ-OLZOCXBDSA-N 2 1 294.405 3.675 20 0 CHADMP Cc1coc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000718028574 1129165754 /nfs/dbraw/zinc/16/57/54/1129165754.db2.gz BYIRHAAAPQIZMA-WMZOPIPTSA-N 2 1 298.430 3.588 20 0 CHADMP Cc1coc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000718028574 1129165757 /nfs/dbraw/zinc/16/57/57/1129165757.db2.gz BYIRHAAAPQIZMA-WMZOPIPTSA-N 2 1 298.430 3.588 20 0 CHADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2sccc2Cl)C1 ZINC000866706388 1124094366 /nfs/dbraw/zinc/09/43/66/1124094366.db2.gz HUZQPEHPAPFDSL-AWEZNQCLSA-N 2 1 286.872 3.598 20 0 CHADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2sccc2Cl)C1 ZINC000866706388 1124094368 /nfs/dbraw/zinc/09/43/68/1124094368.db2.gz HUZQPEHPAPFDSL-AWEZNQCLSA-N 2 1 286.872 3.598 20 0 CHADMP CCc1ccccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000445809182 1124102049 /nfs/dbraw/zinc/10/20/49/1124102049.db2.gz FWWGLDQNEZGJQD-QUCCMNQESA-N 2 1 298.474 3.698 20 0 CHADMP CCc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000445809182 1124102050 /nfs/dbraw/zinc/10/20/50/1124102050.db2.gz FWWGLDQNEZGJQD-QUCCMNQESA-N 2 1 298.474 3.698 20 0 CHADMP CCc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000445809182 1124102051 /nfs/dbraw/zinc/10/20/51/1124102051.db2.gz FWWGLDQNEZGJQD-QUCCMNQESA-N 2 1 298.474 3.698 20 0 CHADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000445998699 1124107554 /nfs/dbraw/zinc/10/75/54/1124107554.db2.gz MPJJPLUGSBPVTR-QRVBRYPASA-N 2 1 286.463 3.787 20 0 CHADMP C[N@H+](Cc1cc2ccccc2s1)C[C@H]1CCC[NH+](C)C1 ZINC000508568163 1124116148 /nfs/dbraw/zinc/11/61/48/1124116148.db2.gz JKZQVLKAAWELHN-AWEZNQCLSA-N 2 1 288.460 3.675 20 0 CHADMP C[NH+](Cc1cc2ccccc2s1)C[C@H]1CCC[N@H+](C)C1 ZINC000508568163 1124116149 /nfs/dbraw/zinc/11/61/49/1124116149.db2.gz JKZQVLKAAWELHN-AWEZNQCLSA-N 2 1 288.460 3.675 20 0 CHADMP C[NH+](Cc1cc2ccccc2s1)C[C@H]1CCC[N@@H+](C)C1 ZINC000508568163 1124116150 /nfs/dbraw/zinc/11/61/50/1124116150.db2.gz JKZQVLKAAWELHN-AWEZNQCLSA-N 2 1 288.460 3.675 20 0 CHADMP C[N@H+](Cc1cc2ccccc2s1)C[C@@H]1CCC[NH+](C)C1 ZINC000508568167 1124116445 /nfs/dbraw/zinc/11/64/45/1124116445.db2.gz JKZQVLKAAWELHN-CQSZACIVSA-N 2 1 288.460 3.675 20 0 CHADMP C[NH+](Cc1cc2ccccc2s1)C[C@@H]1CCC[N@H+](C)C1 ZINC000508568167 1124116446 /nfs/dbraw/zinc/11/64/46/1124116446.db2.gz JKZQVLKAAWELHN-CQSZACIVSA-N 2 1 288.460 3.675 20 0 CHADMP C[NH+](Cc1cc2ccccc2s1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000508568167 1124116448 /nfs/dbraw/zinc/11/64/48/1124116448.db2.gz JKZQVLKAAWELHN-CQSZACIVSA-N 2 1 288.460 3.675 20 0 CHADMP CC[NH+](CC)C1CC[NH+](CCCSC(C)(C)C)CC1 ZINC001119306086 1131251482 /nfs/dbraw/zinc/25/14/82/1131251482.db2.gz LZEKMKZJCIWXSR-UHFFFAOYSA-N 2 1 286.529 3.714 20 0 CHADMP Cc1cc2[nH]c(C[N@H+](C)CCC[NH+]3CCCC3)cc2c(C)c1 ZINC000467518989 1124451014 /nfs/dbraw/zinc/45/10/14/1124451014.db2.gz GSINMTOXLXMLSF-UHFFFAOYSA-N 2 1 299.462 3.702 20 0 CHADMP Cc1cc2[nH]c(C[N@@H+](C)CCC[NH+]3CCCC3)cc2c(C)c1 ZINC000467518989 1124451021 /nfs/dbraw/zinc/45/10/21/1124451021.db2.gz GSINMTOXLXMLSF-UHFFFAOYSA-N 2 1 299.462 3.702 20 0 CHADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000447536965 1124484995 /nfs/dbraw/zinc/48/49/95/1124484995.db2.gz ROSSZUNULRCPHG-XPGWFJOJSA-N 2 1 298.474 3.945 20 0 CHADMP C[C@H](C[NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000447816498 1124527850 /nfs/dbraw/zinc/52/78/50/1124527850.db2.gz LEGSVFWNJJMUFB-ZACQAIPSSA-N 2 1 274.452 3.643 20 0 CHADMP C[C@H](C[NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000447816498 1124527853 /nfs/dbraw/zinc/52/78/53/1124527853.db2.gz LEGSVFWNJJMUFB-ZACQAIPSSA-N 2 1 274.452 3.643 20 0 CHADMP C[C@H]1C[C@H](C)[NH+]1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000526989445 1124539466 /nfs/dbraw/zinc/53/94/66/1124539466.db2.gz CIKSWLLRZOEPBY-HOTGVXAUSA-N 2 1 274.452 3.627 20 0 CHADMP C[C@H]1C[C@H](C)[NH+]1CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000526989445 1124539472 /nfs/dbraw/zinc/53/94/72/1124539472.db2.gz CIKSWLLRZOEPBY-HOTGVXAUSA-N 2 1 274.452 3.627 20 0 CHADMP CC(C)CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000449086513 1124644398 /nfs/dbraw/zinc/64/43/98/1124644398.db2.gz BWNVSMWOYSPAOL-XDNAFOTISA-N 2 1 278.484 3.808 20 0 CHADMP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449091056 1124648616 /nfs/dbraw/zinc/64/86/16/1124648616.db2.gz OZTVGBVUVSAXRB-PVAVHDDUSA-N 2 1 298.430 3.580 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cccc2ccoc21 ZINC000449160762 1124661789 /nfs/dbraw/zinc/66/17/89/1124661789.db2.gz CJVRZEAZFRGZNJ-UHFFFAOYSA-N 2 1 283.375 3.508 20 0 CHADMP CC[C@@H](CCC(F)(F)F)[NH2+]CCCCn1cc[nH+]c1C ZINC000872039997 1124663536 /nfs/dbraw/zinc/66/35/36/1124663536.db2.gz VODIKHGDVHRNPH-ZDUSSCGKSA-N 2 1 291.361 3.682 20 0 CHADMP CC[C@H](CCC(F)(F)F)[NH2+]CCCCn1cc[nH+]c1C ZINC000872039996 1124663684 /nfs/dbraw/zinc/66/36/84/1124663684.db2.gz VODIKHGDVHRNPH-CYBMUJFWSA-N 2 1 291.361 3.682 20 0 CHADMP FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@@H+]1CCC[NH+]1CCCCC1 ZINC000528585141 1124697161 /nfs/dbraw/zinc/69/71/61/1124697161.db2.gz SNUKANZCVVVEBR-XYPWUTKMSA-N 2 1 298.421 3.515 20 0 CHADMP CC/C=C\C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449461841 1124755819 /nfs/dbraw/zinc/75/58/19/1124755819.db2.gz UABDYYYNXHMZJX-QDBVJCLKSA-N 2 1 272.436 3.595 20 0 CHADMP CC/C=C\C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449461841 1124755823 /nfs/dbraw/zinc/75/58/23/1124755823.db2.gz UABDYYYNXHMZJX-QDBVJCLKSA-N 2 1 272.436 3.595 20 0 CHADMP Cn1c[nH+]c2cccc(Nc3ccc(C(C)(C)[NH3+])cc3)c21 ZINC001159849991 1131306412 /nfs/dbraw/zinc/30/64/12/1131306412.db2.gz BETSMRYCRJESGF-UHFFFAOYSA-N 2 1 280.375 3.511 20 0 CHADMP CC(C)[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H]1C ZINC000449561268 1124802600 /nfs/dbraw/zinc/80/26/00/1124802600.db2.gz UCDBNUCVUCEQFT-GLHLROKDSA-N 2 1 278.484 3.662 20 0 CHADMP C[C@H](CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)CC(C)(C)C ZINC000443205724 1124912200 /nfs/dbraw/zinc/91/22/00/1124912200.db2.gz UOZLYPGCEDHXMO-KLHDSHLOSA-N 2 1 268.489 3.767 20 0 CHADMP CSC(C)(C)CC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000877188799 1125018234 /nfs/dbraw/zinc/01/82/34/1125018234.db2.gz HIWLLFQYFDOOBP-CABCVRRESA-N 2 1 298.540 3.761 20 0 CHADMP C(=C\c1ccccc1)\CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000450437941 1125025671 /nfs/dbraw/zinc/02/56/71/1125025671.db2.gz LQNHEUVIEPBHOJ-ITJCZCKWSA-N 2 1 298.474 3.898 20 0 CHADMP C1=C(CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCCC1 ZINC000450440039 1125026781 /nfs/dbraw/zinc/02/67/81/1125026781.db2.gz OPEMZWATEGTHSG-SFHVURJKSA-N 2 1 276.468 3.685 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC/C=C\c2ccccc2)C1 ZINC000450463265 1125028513 /nfs/dbraw/zinc/02/85/13/1125028513.db2.gz NMFGZFIUFNKKET-KOTDBNOLSA-N 2 1 286.463 3.754 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC/C=C\c2ccccc2)C1 ZINC000450463265 1125028518 /nfs/dbraw/zinc/02/85/18/1125028518.db2.gz NMFGZFIUFNKKET-KOTDBNOLSA-N 2 1 286.463 3.754 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC000450463265 1125028524 /nfs/dbraw/zinc/02/85/24/1125028524.db2.gz NMFGZFIUFNKKET-KOTDBNOLSA-N 2 1 286.463 3.754 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC2=CCCCC2)[C@H](C)C1 ZINC000450559357 1125057662 /nfs/dbraw/zinc/05/76/62/1125057662.db2.gz FIFZRAIJFALMSX-NVXWUHKLSA-N 2 1 264.457 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC2=CCCCC2)[C@H](C)C1 ZINC000450559357 1125057672 /nfs/dbraw/zinc/05/76/72/1125057672.db2.gz FIFZRAIJFALMSX-NVXWUHKLSA-N 2 1 264.457 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC2=CCCCC2)[C@H](C)C1 ZINC000450559357 1125057679 /nfs/dbraw/zinc/05/76/79/1125057679.db2.gz FIFZRAIJFALMSX-NVXWUHKLSA-N 2 1 264.457 3.539 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c(C)cccc1Cl ZINC000450596179 1125065925 /nfs/dbraw/zinc/06/59/25/1125065925.db2.gz FTISGMXJGPMQEA-UHFFFAOYSA-N 2 1 291.826 3.675 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c(C)cccc1Cl ZINC000450596179 1125065934 /nfs/dbraw/zinc/06/59/34/1125065934.db2.gz FTISGMXJGPMQEA-UHFFFAOYSA-N 2 1 291.826 3.675 20 0 CHADMP C[C@H]([NH2+]CC1=CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000450728901 1125094876 /nfs/dbraw/zinc/09/48/76/1125094876.db2.gz QKDNWOSFOFTASX-DOTOQJQBSA-N 2 1 276.468 3.729 20 0 CHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1CC1 ZINC000390853455 1125115586 /nfs/dbraw/zinc/11/55/86/1125115586.db2.gz FINHYURMPOKHRS-GOSISDBHSA-N 2 1 286.463 3.677 20 0 CHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1CC1 ZINC000390853455 1125115591 /nfs/dbraw/zinc/11/55/91/1125115591.db2.gz FINHYURMPOKHRS-GOSISDBHSA-N 2 1 286.463 3.677 20 0 CHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C=CCCC1 ZINC000390982505 1125119792 /nfs/dbraw/zinc/11/97/92/1125119792.db2.gz WGLQLVGXYULVLF-RBUKOAKNSA-N 2 1 298.474 3.985 20 0 CHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C=CCCC1 ZINC000390982505 1125119795 /nfs/dbraw/zinc/11/97/95/1125119795.db2.gz WGLQLVGXYULVLF-RBUKOAKNSA-N 2 1 298.474 3.985 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000121439504 1125121737 /nfs/dbraw/zinc/12/17/37/1125121737.db2.gz SLPIJNXFAPVWEQ-HUUCEWRRSA-N 2 1 297.446 3.667 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)s1 ZINC000121524281 1125131237 /nfs/dbraw/zinc/13/12/37/1125131237.db2.gz PKEMNZNIXICJJS-STQMWFEESA-N 2 1 291.464 3.802 20 0 CHADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc2c(s1)CCCC2 ZINC000392275038 1125143944 /nfs/dbraw/zinc/14/39/44/1125143944.db2.gz GBXQBPBGIPAUAX-CYBMUJFWSA-N 2 1 290.476 3.539 20 0 CHADMP C(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCCC1 ZINC000121815282 1125156539 /nfs/dbraw/zinc/15/65/39/1125156539.db2.gz WNZGXCACGMCBSF-QGZVFWFLSA-N 2 1 264.457 3.517 20 0 CHADMP CC(C)CCCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127787992 1125215725 /nfs/dbraw/zinc/21/57/25/1125215725.db2.gz UPUWPTALMFMZGC-DLBZAZTESA-N 2 1 266.473 3.809 20 0 CHADMP C[C@H]1C[C@@H](Nc2ccc([NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000127886751 1125223104 /nfs/dbraw/zinc/22/31/04/1125223104.db2.gz VUPVNEVZNGEAOI-RDJZCZTQSA-N 2 1 287.451 3.572 20 0 CHADMP C[C@H]1C[C@@H](Nc2ccc([NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000127886751 1125223111 /nfs/dbraw/zinc/22/31/11/1125223111.db2.gz VUPVNEVZNGEAOI-RDJZCZTQSA-N 2 1 287.451 3.572 20 0 CHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccoc1 ZINC000532233402 1125244034 /nfs/dbraw/zinc/24/40/34/1125244034.db2.gz VTWZFRNLCIAHIM-VYDXJSESSA-N 2 1 278.440 3.831 20 0 CHADMP CCC1(CC)CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000880095150 1125250404 /nfs/dbraw/zinc/25/04/04/1125250404.db2.gz WOLCSELGOXOYDF-UHFFFAOYSA-N 2 1 263.429 3.626 20 0 CHADMP CCC1(CC)CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000880095150 1125250410 /nfs/dbraw/zinc/25/04/10/1125250410.db2.gz WOLCSELGOXOYDF-UHFFFAOYSA-N 2 1 263.429 3.626 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251571450 1125284831 /nfs/dbraw/zinc/28/48/31/1125284831.db2.gz USLBVINVBOFPDY-HABKJSAYSA-N 2 1 278.827 3.616 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251571450 1125284834 /nfs/dbraw/zinc/28/48/34/1125284834.db2.gz USLBVINVBOFPDY-HABKJSAYSA-N 2 1 278.827 3.616 20 0 CHADMP CCCC[NH+]1CCC([N@H+](C)Cc2cc(C)cs2)CC1 ZINC001137161405 1125296955 /nfs/dbraw/zinc/29/69/55/1125296955.db2.gz BIGIAGIQXPTEGN-UHFFFAOYSA-N 2 1 280.481 3.753 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C2CC(C)(c3ccccc3)C2)CC1(C)C ZINC000623417585 1125350109 /nfs/dbraw/zinc/35/01/09/1125350109.db2.gz FDYBJZDCIWDZRV-MUYFXNHWSA-N 2 1 286.463 3.569 20 0 CHADMP CC[C@@H]1C[N@H+]([C@@H](C)c2ccc(C(C)C)cc2)CC[C@@H]1[NH3+] ZINC000122369634 1125350823 /nfs/dbraw/zinc/35/08/23/1125350823.db2.gz WQNYHCPRIPLOBK-DAYGRLMNSA-N 2 1 274.452 3.930 20 0 CHADMP [NH3+][C@@H]1C[C@H]([NH2+]C2(c3ccc(F)cc3)CCC2)c2ccccc21 ZINC000643467817 1125362335 /nfs/dbraw/zinc/36/23/35/1125362335.db2.gz UWNYIRSKXIJBDO-MSOLQXFVSA-N 2 1 296.389 3.939 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c3ccccc31)CC2 ZINC000643468913 1125367799 /nfs/dbraw/zinc/36/77/99/1125367799.db2.gz JATAYUBVSRGTPN-QRVBRYPASA-N 2 1 278.399 3.717 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C=CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000883238131 1125382332 /nfs/dbraw/zinc/38/23/32/1125382332.db2.gz SSLDLINKZQQNCI-ZIFCJYIRSA-N 2 1 284.447 3.595 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C=CCC2)CC[N@H+]1Cc1ccccc1 ZINC000883238131 1125382333 /nfs/dbraw/zinc/38/23/33/1125382333.db2.gz SSLDLINKZQQNCI-ZIFCJYIRSA-N 2 1 284.447 3.595 20 0 CHADMP CC(C)CCOc1ccc([C@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000532442136 1125386530 /nfs/dbraw/zinc/38/65/30/1125386530.db2.gz RPKGAAZQKCDKPC-INIZCTEOSA-N 2 1 292.467 3.714 20 0 CHADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C(C)C ZINC000532446660 1125388308 /nfs/dbraw/zinc/38/83/08/1125388308.db2.gz GUYQJIQKYUFBHS-JKSUJKDBSA-N 2 1 254.462 3.523 20 0 CHADMP Cc1cccc(CC[C@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000040623592 1125389170 /nfs/dbraw/zinc/38/91/70/1125389170.db2.gz UJQWKOAPZJAMAY-HKUYNNGSSA-N 2 1 288.479 3.636 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)CC[N@@H+]1C ZINC000532525297 1125408249 /nfs/dbraw/zinc/40/82/49/1125408249.db2.gz LIKUAXPAMFJZMH-ZSGPHXLJSA-N 2 1 290.426 3.534 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)CC[N@H+]1C ZINC000532525297 1125408252 /nfs/dbraw/zinc/40/82/52/1125408252.db2.gz LIKUAXPAMFJZMH-ZSGPHXLJSA-N 2 1 290.426 3.534 20 0 CHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4ccccc4c3)CC[C@@H]21 ZINC000532536500 1125409238 /nfs/dbraw/zinc/40/92/38/1125409238.db2.gz OAGMSUNIGKRZAT-PMACEKPBSA-N 2 1 294.442 3.756 20 0 CHADMP C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)c(F)c1 ZINC000251780708 1125430410 /nfs/dbraw/zinc/43/04/10/1125430410.db2.gz SORCLFXPZJSLRO-YUTCNCBUSA-N 2 1 296.817 3.757 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)c(F)c1 ZINC000251780708 1125430411 /nfs/dbraw/zinc/43/04/11/1125430411.db2.gz SORCLFXPZJSLRO-YUTCNCBUSA-N 2 1 296.817 3.757 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)c(F)c1 ZINC000251780708 1125430412 /nfs/dbraw/zinc/43/04/12/1125430412.db2.gz SORCLFXPZJSLRO-YUTCNCBUSA-N 2 1 296.817 3.757 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000124039263 1125434388 /nfs/dbraw/zinc/43/43/88/1125434388.db2.gz LCUFQHSSGBMBRR-LPHOPBHVSA-N 2 1 297.446 3.850 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000124039263 1125434392 /nfs/dbraw/zinc/43/43/92/1125434392.db2.gz LCUFQHSSGBMBRR-LPHOPBHVSA-N 2 1 297.446 3.850 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124355945 1125437225 /nfs/dbraw/zinc/43/72/25/1125437225.db2.gz OXUZWEHLRPCITH-LJQANCHMSA-N 2 1 297.446 3.536 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124355945 1125437229 /nfs/dbraw/zinc/43/72/29/1125437229.db2.gz OXUZWEHLRPCITH-LJQANCHMSA-N 2 1 297.446 3.536 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000125158802 1125445675 /nfs/dbraw/zinc/44/56/75/1125445675.db2.gz TUPMQOUHOHHIEG-QFBILLFUSA-N 2 1 297.446 3.850 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000125158802 1125445676 /nfs/dbraw/zinc/44/56/76/1125445676.db2.gz TUPMQOUHOHHIEG-QFBILLFUSA-N 2 1 297.446 3.850 20 0 CHADMP C[C@@H](c1ccccc1)[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CC1 ZINC000348258267 1125447013 /nfs/dbraw/zinc/44/70/13/1125447013.db2.gz WHMHWSPGHDOYLR-RDJZCZTQSA-N 2 1 272.436 3.696 20 0 CHADMP C[C@@H](c1ccccc1)[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000348258267 1125447016 /nfs/dbraw/zinc/44/70/16/1125447016.db2.gz WHMHWSPGHDOYLR-RDJZCZTQSA-N 2 1 272.436 3.696 20 0 CHADMP C[C@@H](c1ccccc1)[NH+](CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000348258267 1125447017 /nfs/dbraw/zinc/44/70/17/1125447017.db2.gz WHMHWSPGHDOYLR-RDJZCZTQSA-N 2 1 272.436 3.696 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000125420441 1125449034 /nfs/dbraw/zinc/44/90/34/1125449034.db2.gz VBABBRJWEXUCPF-SFHVURJKSA-N 2 1 283.419 3.809 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1c1ccccc1 ZINC000125420441 1125449037 /nfs/dbraw/zinc/44/90/37/1125449037.db2.gz VBABBRJWEXUCPF-SFHVURJKSA-N 2 1 283.419 3.809 20 0 CHADMP CC1CC(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000621771831 1129193321 /nfs/dbraw/zinc/19/33/21/1129193321.db2.gz OFSYVDFBVNCDLL-YBUMUKGHSA-N 2 1 298.474 3.818 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCc2ccc(C)cc21 ZINC000166695088 1129226351 /nfs/dbraw/zinc/22/63/51/1129226351.db2.gz PFGPQEPABNRFBL-IBGZPJMESA-N 2 1 297.446 3.947 20 0 CHADMP CC1=C(C)C[C@H]([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000638706568 1129266801 /nfs/dbraw/zinc/26/68/01/1129266801.db2.gz GOPZNUWZGRGCRT-NXOAAHMSSA-N 2 1 264.457 3.584 20 0 CHADMP CC1=C(C)C[C@H]([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000638706568 1129266803 /nfs/dbraw/zinc/26/68/03/1129266803.db2.gz GOPZNUWZGRGCRT-NXOAAHMSSA-N 2 1 264.457 3.584 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CS[C@@H](C)C1 ZINC000638853798 1129272780 /nfs/dbraw/zinc/27/27/80/1129272780.db2.gz KBCYHWBOHZJLPI-WMLDXEAASA-N 2 1 292.492 3.510 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC2(CCCCC2)CC1 ZINC000348069736 1129276766 /nfs/dbraw/zinc/27/67/66/1129276766.db2.gz IBXKBUYHWMYBEZ-INIZCTEOSA-N 2 1 264.457 3.517 20 0 CHADMP CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000348084799 1129280108 /nfs/dbraw/zinc/28/01/08/1129280108.db2.gz LZUOOJWIXHJZJG-HOCLYGCPSA-N 2 1 287.382 3.598 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000639105126 1129281669 /nfs/dbraw/zinc/28/16/69/1129281669.db2.gz RVTPNWVAASDKRA-IPMKNSEASA-N 2 1 286.463 3.596 20 0 CHADMP C[NH+]1CCC([NH2+]CCc2ccc(-c3ccccc3)cc2)CC1 ZINC000090468716 1129296727 /nfs/dbraw/zinc/29/67/27/1129296727.db2.gz PWYGOSOGVYCVHS-UHFFFAOYSA-N 2 1 294.442 3.580 20 0 CHADMP CCCCC[C@H](CC)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001258442402 1129362496 /nfs/dbraw/zinc/36/24/96/1129362496.db2.gz FCMLCKSGXZPZCW-INIZCTEOSA-N 2 1 266.473 3.763 20 0 CHADMP CCCCC[C@H](CC)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001258443668 1129362588 /nfs/dbraw/zinc/36/25/88/1129362588.db2.gz NWLUYZLGSPIHQC-HNNXBMFYSA-N 2 1 266.473 3.904 20 0 CHADMP CC(C)[N@@H+](Cc1cc(C(C)(C)C)c[nH]1)[C@@H]1CCC[NH2+]CC1 ZINC001206606136 1129378560 /nfs/dbraw/zinc/37/85/60/1129378560.db2.gz FJAGONDMMVFTMX-QGZVFWFLSA-N 2 1 291.483 3.665 20 0 CHADMP CC[N@@H+](Cc1ccoc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818825 1129428067 /nfs/dbraw/zinc/42/80/67/1129428067.db2.gz XDJLMFIUSAHLPJ-GOSISDBHSA-N 2 1 298.430 3.624 20 0 CHADMP CC[N@H+](Cc1ccoc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818825 1129428069 /nfs/dbraw/zinc/42/80/69/1129428069.db2.gz XDJLMFIUSAHLPJ-GOSISDBHSA-N 2 1 298.430 3.624 20 0 CHADMP CC[NH+](Cc1ccoc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818825 1129428071 /nfs/dbraw/zinc/42/80/71/1129428071.db2.gz XDJLMFIUSAHLPJ-GOSISDBHSA-N 2 1 298.430 3.624 20 0 CHADMP CC[NH+](Cc1ccoc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818825 1129428072 /nfs/dbraw/zinc/42/80/72/1129428072.db2.gz XDJLMFIUSAHLPJ-GOSISDBHSA-N 2 1 298.430 3.624 20 0 CHADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-c2c(F)cccc2F)cc1 ZINC000643527636 1129444337 /nfs/dbraw/zinc/44/43/37/1129444337.db2.gz PWDLDQSWPWKBDT-RYUDHWBXSA-N 2 1 290.357 3.630 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(-c2ccccc2)o1 ZINC000643522674 1129444438 /nfs/dbraw/zinc/44/44/38/1129444438.db2.gz RSAQBQZUDQFSKK-GOEBONIOSA-N 2 1 284.403 3.739 20 0 CHADMP CC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cccc(Cl)c1F ZINC000643522888 1129444756 /nfs/dbraw/zinc/44/47/56/1129444756.db2.gz UHUSNAZVJAUALW-SMDDNHRTSA-N 2 1 284.806 3.662 20 0 CHADMP CCCCC[C@H](CCC)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001258662570 1129471589 /nfs/dbraw/zinc/47/15/89/1129471589.db2.gz RDXOXJGURVPKPW-HOTGVXAUSA-N 2 1 254.462 3.809 20 0 CHADMP CCCC[N@@H+](CC)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000743872920 1129542870 /nfs/dbraw/zinc/54/28/70/1129542870.db2.gz DYKCVKHANPVVAS-SFHVURJKSA-N 2 1 274.452 3.631 20 0 CHADMP CCCC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000743872920 1129542874 /nfs/dbraw/zinc/54/28/74/1129542874.db2.gz DYKCVKHANPVVAS-SFHVURJKSA-N 2 1 274.452 3.631 20 0 CHADMP CCCC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000743872920 1129542882 /nfs/dbraw/zinc/54/28/82/1129542882.db2.gz DYKCVKHANPVVAS-SFHVURJKSA-N 2 1 274.452 3.631 20 0 CHADMP F[C@@]1(C[NH2+][C@H]2CCCC3(CCCCC3)C2)CCC[NH2+]C1 ZINC001246183797 1131381496 /nfs/dbraw/zinc/38/14/96/1131381496.db2.gz UCLNSIVCBWYBMT-RDJZCZTQSA-N 2 1 282.447 3.561 20 0 CHADMP CC1([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000647196854 1129556057 /nfs/dbraw/zinc/55/60/57/1129556057.db2.gz PVJNCHHGZPXYJR-QGZVFWFLSA-N 2 1 284.447 3.716 20 0 CHADMP CC1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000647196854 1129556058 /nfs/dbraw/zinc/55/60/58/1129556058.db2.gz PVJNCHHGZPXYJR-QGZVFWFLSA-N 2 1 284.447 3.716 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000647343627 1129571979 /nfs/dbraw/zinc/57/19/79/1129571979.db2.gz YCAAOFWMTYAZLA-DBVUQKKJSA-N 2 1 294.442 3.683 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2(c3cccc(Cl)c3)CCC2)CC[N@@H+]1C ZINC000647349578 1129573356 /nfs/dbraw/zinc/57/33/56/1129573356.db2.gz YKTKJAHZVWCSQF-CZUORRHYSA-N 2 1 292.854 3.792 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2(c3cccc(Cl)c3)CCC2)CC[N@H+]1C ZINC000647349578 1129573359 /nfs/dbraw/zinc/57/33/59/1129573359.db2.gz YKTKJAHZVWCSQF-CZUORRHYSA-N 2 1 292.854 3.792 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000647354056 1129574729 /nfs/dbraw/zinc/57/47/29/1129574729.db2.gz FEHIEJFAPFIOEY-CJSSEVFESA-N 2 1 298.474 3.675 20 0 CHADMP CC(C)C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccccc1 ZINC001246185175 1131383402 /nfs/dbraw/zinc/38/34/02/1131383402.db2.gz ACLFZSIBGQSYLC-IAGOWNOFSA-N 2 1 260.425 3.506 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000379639912 1129592564 /nfs/dbraw/zinc/59/25/64/1129592564.db2.gz WHVDVCULAZOBRU-FPAYPSAMSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000379639912 1129592567 /nfs/dbraw/zinc/59/25/67/1129592567.db2.gz WHVDVCULAZOBRU-FPAYPSAMSA-N 2 1 286.463 3.818 20 0 CHADMP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000648560356 1129614228 /nfs/dbraw/zinc/61/42/28/1129614228.db2.gz BGDGXHCZIXNOPS-BRWVUGGUSA-N 2 1 289.467 3.640 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000379040216 1129635056 /nfs/dbraw/zinc/63/50/56/1129635056.db2.gz SGJDRBULIWCHER-AEFFLSMTSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@H](C[N@H+]1CCC[C@@H](Cc2nccn2C)C1)CC(C)(C)C ZINC001168848828 1129679632 /nfs/dbraw/zinc/67/96/32/1129679632.db2.gz RJKQKUJWDGPMQC-HOTGVXAUSA-N 2 1 291.483 3.747 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2)CCC[C@@H]1C[NH3+] ZINC001205996192 1129686814 /nfs/dbraw/zinc/68/68/14/1129686814.db2.gz VWWBBTKPKBHJEB-DNVCBOLYSA-N 2 1 282.431 3.647 20 0 CHADMP CC(C)C[C@H](Cc1ccccc1)n1cc[nH+]c1CCC[NH3+] ZINC001169069591 1129695738 /nfs/dbraw/zinc/69/57/38/1129695738.db2.gz IMUHRJWAQUJVLJ-QGZVFWFLSA-N 2 1 285.435 3.604 20 0 CHADMP CCCCCC(C)(C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169098822 1129696947 /nfs/dbraw/zinc/69/69/47/1129696947.db2.gz LFEJXDZJQMKHTQ-QDMKHBRRSA-N 2 1 252.446 3.560 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCc3c1cccc3Cl)C2 ZINC001169100135 1129697078 /nfs/dbraw/zinc/69/70/78/1129697078.db2.gz HESVUGODWKXFLR-KOFHJDLBSA-N 2 1 290.838 3.542 20 0 CHADMP CCC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC001169101260 1129697269 /nfs/dbraw/zinc/69/72/69/1129697269.db2.gz PYSUKLJCUVKTSX-MHORFTMASA-N 2 1 290.426 3.882 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1ccccc1)C1CCC1)C2 ZINC001169100698 1129697587 /nfs/dbraw/zinc/69/75/87/1129697587.db2.gz LJOSMLHTMXMSHG-FCGDIQPGSA-N 2 1 284.447 3.743 20 0 CHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccc(Cl)cc3)CC1)C2 ZINC001169082385 1129698611 /nfs/dbraw/zinc/69/86/11/1129698611.db2.gz ZBTFUENNEDDIII-MUJYYYPQSA-N 2 1 290.838 3.544 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccc(Cl)cc3)CC1)C2 ZINC001169082385 1129698613 /nfs/dbraw/zinc/69/86/13/1129698613.db2.gz ZBTFUENNEDDIII-MUJYYYPQSA-N 2 1 290.838 3.544 20 0 CHADMP Cc1ccccc1CC(C)(C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169116542 1129699761 /nfs/dbraw/zinc/69/97/61/1129699761.db2.gz QYDNFLZVMSWZMQ-BCDXTJNWSA-N 2 1 286.463 3.531 20 0 CHADMP CC(C)C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001169090661 1129699969 /nfs/dbraw/zinc/69/99/69/1129699969.db2.gz KEBYDGAQFKFIGX-RDGPPVDQSA-N 2 1 286.463 3.989 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCCCc3ccccc31)C2 ZINC001169122762 1129700206 /nfs/dbraw/zinc/70/02/06/1129700206.db2.gz CZSXDYNMWXVQAT-BMFAXAFESA-N 2 1 284.447 3.669 20 0 CHADMP CSc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169119544 1129700244 /nfs/dbraw/zinc/70/02/44/1129700244.db2.gz UBJRETPBQGWAQV-QCEMKRCNSA-N 2 1 290.476 3.684 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(C)cc1C ZINC001169116628 1129700524 /nfs/dbraw/zinc/70/05/24/1129700524.db2.gz RKKSCCFZEYIVLR-VXIBKDFQSA-N 2 1 286.463 3.969 20 0 CHADMP Cc1cccc([C@H]2CCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169125880 1129701139 /nfs/dbraw/zinc/70/11/39/1129701139.db2.gz MVVPXUCUUYNIJJ-YDZRNGNQSA-N 2 1 284.447 3.757 20 0 CHADMP Cc1cccc([C@H]2CCC[N@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169125880 1129701142 /nfs/dbraw/zinc/70/11/42/1129701142.db2.gz MVVPXUCUUYNIJJ-YDZRNGNQSA-N 2 1 284.447 3.757 20 0 CHADMP Cc1cccc([C@H]2CCC[N@@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169125880 1129701146 /nfs/dbraw/zinc/70/11/46/1129701146.db2.gz MVVPXUCUUYNIJJ-YDZRNGNQSA-N 2 1 284.447 3.757 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2 ZINC001169124371 1129701743 /nfs/dbraw/zinc/70/17/43/1129701743.db2.gz QNLAMVSBSRTBSE-ZMMAXQRCSA-N 2 1 284.447 3.587 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H]1c1ccc(F)cc1)C2 ZINC001169127002 1129701851 /nfs/dbraw/zinc/70/18/51/1129701851.db2.gz ZHSIOQAQXRBFQM-MLHJIOFPSA-N 2 1 288.410 3.588 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]1c1ccc(F)cc1)C2 ZINC001169127002 1129701853 /nfs/dbraw/zinc/70/18/53/1129701853.db2.gz ZHSIOQAQXRBFQM-MLHJIOFPSA-N 2 1 288.410 3.588 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H]1c1ccc(F)cc1)C2 ZINC001169127002 1129701856 /nfs/dbraw/zinc/70/18/56/1129701856.db2.gz ZHSIOQAQXRBFQM-MLHJIOFPSA-N 2 1 288.410 3.588 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H](Cc3ccccc3)C1)C2 ZINC001169139265 1129702697 /nfs/dbraw/zinc/70/26/97/1129702697.db2.gz AFNLRYQXRGNTRM-YSTOQKLRSA-N 2 1 298.474 3.566 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H](Cc3ccccc3)C1)C2 ZINC001169139265 1129702698 /nfs/dbraw/zinc/70/26/98/1129702698.db2.gz AFNLRYQXRGNTRM-YSTOQKLRSA-N 2 1 298.474 3.566 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@H](Cc3ccccc3)C1)C2 ZINC001169139265 1129702702 /nfs/dbraw/zinc/70/27/02/1129702702.db2.gz AFNLRYQXRGNTRM-YSTOQKLRSA-N 2 1 298.474 3.566 20 0 CHADMP CCc1ccc[nH+]c1N[C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169139583 1129702778 /nfs/dbraw/zinc/70/27/78/1129702778.db2.gz CBFZBSXRNXSENK-WMLDXEAASA-N 2 1 275.440 3.600 20 0 CHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(Cl)c1 ZINC001169108078 1129703506 /nfs/dbraw/zinc/70/35/06/1129703506.db2.gz OAAQZYCIAGKPBI-MPESAESLSA-N 2 1 278.827 3.616 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H](C3CCCCC3)C1)C2 ZINC001169142188 1129703992 /nfs/dbraw/zinc/70/39/92/1129703992.db2.gz ANSGDJCZHVWUIM-WNRNVDISSA-N 2 1 276.468 3.514 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H](C3CCCCC3)C1)C2 ZINC001169142188 1129703996 /nfs/dbraw/zinc/70/39/96/1129703996.db2.gz ANSGDJCZHVWUIM-WNRNVDISSA-N 2 1 276.468 3.514 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H](C3CCCCC3)C1)C2 ZINC001169142188 1129703999 /nfs/dbraw/zinc/70/39/99/1129703999.db2.gz ANSGDJCZHVWUIM-WNRNVDISSA-N 2 1 276.468 3.514 20 0 CHADMP C[N@H+]([C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C)C(C)(C)Cc1ccccc1 ZINC001169155285 1129706357 /nfs/dbraw/zinc/70/63/57/1129706357.db2.gz MGYJDNHQYZOWSI-PIIMJCKOSA-N 2 1 286.463 3.565 20 0 CHADMP C[N@@H+]([C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C)C(C)(C)Cc1ccccc1 ZINC001169155285 1129706360 /nfs/dbraw/zinc/70/63/60/1129706360.db2.gz MGYJDNHQYZOWSI-PIIMJCKOSA-N 2 1 286.463 3.565 20 0 CHADMP C[NH+]([C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)(C)Cc1ccccc1 ZINC001169155285 1129706362 /nfs/dbraw/zinc/70/63/62/1129706362.db2.gz MGYJDNHQYZOWSI-PIIMJCKOSA-N 2 1 286.463 3.565 20 0 CHADMP C[NH+]([C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)Cc1ccccc1 ZINC001169155285 1129706363 /nfs/dbraw/zinc/70/63/63/1129706363.db2.gz MGYJDNHQYZOWSI-PIIMJCKOSA-N 2 1 286.463 3.565 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](CC2CCC2)c2ccccc2)CC1 ZINC001169241172 1129712318 /nfs/dbraw/zinc/71/23/18/1129712318.db2.gz IXIQCBHZLOEDIP-IBGZPJMESA-N 2 1 286.463 3.992 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc(C(C)(C)C)c2)CC1 ZINC001169260409 1129713876 /nfs/dbraw/zinc/71/38/76/1129713876.db2.gz CGIKVDVLHMTMFZ-SFHVURJKSA-N 2 1 288.479 3.900 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccc3ccsc3c2)CCC[C@@H]1C[NH3+] ZINC001206013076 1129737696 /nfs/dbraw/zinc/73/76/96/1129737696.db2.gz PELVTRXVTOOVMD-XJKSGUPXSA-N 2 1 288.460 3.708 20 0 CHADMP C[NH+]1CCC2(CCC[N@@H+](CCCSC(C)(C)C)C2)CC1 ZINC001169782242 1129756006 /nfs/dbraw/zinc/75/60/06/1129756006.db2.gz XSFZCJOFKRBGBD-UHFFFAOYSA-N 2 1 298.540 3.716 20 0 CHADMP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001258789116 1129758918 /nfs/dbraw/zinc/75/89/18/1129758918.db2.gz VWRDCMHZEQLDQE-VVLHAWIVSA-N 2 1 268.489 3.910 20 0 CHADMP CC(C)C[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)c1ccncc1 ZINC000652222288 1129760892 /nfs/dbraw/zinc/76/08/92/1129760892.db2.gz JQNWRUJVUFQGCK-GOSISDBHSA-N 2 1 291.483 3.736 20 0 CHADMP CC[C@H](C[C@@H](C)CC)[N@@H+](C)CCC[NH+]1CCCC1 ZINC001258795929 1129768031 /nfs/dbraw/zinc/76/80/31/1129768031.db2.gz VFGXBFCCHMPSRF-JKSUJKDBSA-N 2 1 254.462 3.619 20 0 CHADMP CC(C)(CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC000653586881 1129786720 /nfs/dbraw/zinc/78/67/20/1129786720.db2.gz GJUZOXTZXFLALH-QAPCUYQASA-N 2 1 290.495 3.761 20 0 CHADMP CC(C)(CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CC1 ZINC000653586881 1129786722 /nfs/dbraw/zinc/78/67/22/1129786722.db2.gz GJUZOXTZXFLALH-QAPCUYQASA-N 2 1 290.495 3.761 20 0 CHADMP CC(C)(CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CC1 ZINC000653586881 1129786723 /nfs/dbraw/zinc/78/67/23/1129786723.db2.gz GJUZOXTZXFLALH-QAPCUYQASA-N 2 1 290.495 3.761 20 0 CHADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)[C@@H](C)C1CCCCC1 ZINC000653614099 1129788206 /nfs/dbraw/zinc/78/82/06/1129788206.db2.gz NYTYEGQADFRFHN-CABCVRRESA-N 2 1 277.456 3.547 20 0 CHADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](CC4CCC4)CC[C@@H]3C2)cc1 ZINC001202792030 1129844128 /nfs/dbraw/zinc/84/41/28/1129844128.db2.gz HWZAWQBTTKKUPO-UXHICEINSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CC4CCC4)CC[C@@H]3C2)cc1 ZINC001202792030 1129844134 /nfs/dbraw/zinc/84/41/34/1129844134.db2.gz HWZAWQBTTKKUPO-UXHICEINSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CC4CCC4)CC[C@@H]3C2)cc1 ZINC001202792030 1129844139 /nfs/dbraw/zinc/84/41/39/1129844139.db2.gz HWZAWQBTTKKUPO-UXHICEINSA-N 2 1 298.474 3.631 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)(C)C)s2)[C@H](C)C1 ZINC000769929143 1129933477 /nfs/dbraw/zinc/93/34/77/1129933477.db2.gz VTYVGKNDXJWWEO-HIFRSBDPSA-N 2 1 294.508 3.866 20 0 CHADMP C[C@H]([NH2+]CCSC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000801937937 1129962216 /nfs/dbraw/zinc/96/22/16/1129962216.db2.gz BQAVTNUFJMUZMR-LSDHHAIUSA-N 2 1 298.540 3.761 20 0 CHADMP CC[N@H+]1CCc2cc(-c3ccccc3C[NH+](C)C)ccc2C1 ZINC001239681347 1130051866 /nfs/dbraw/zinc/05/18/66/1130051866.db2.gz FZDNLVHCHWBXMI-UHFFFAOYSA-N 2 1 294.442 3.793 20 0 CHADMP C[NH+](C)Cc1ccccc1-c1ccc([C@H]2CC[N@@H+](C)C2)cc1 ZINC001239686490 1130056375 /nfs/dbraw/zinc/05/63/75/1130056375.db2.gz RYKLIHXDJGGWSY-SFHVURJKSA-N 2 1 294.442 3.834 20 0 CHADMP c1c2ccccc2oc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903075885 1130108759 /nfs/dbraw/zinc/10/87/59/1130108759.db2.gz GEWDQQAYGHPQPQ-ZXFUBFMLSA-N 2 1 296.414 3.680 20 0 CHADMP c1c2ccccc2oc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903075885 1130108762 /nfs/dbraw/zinc/10/87/62/1130108762.db2.gz GEWDQQAYGHPQPQ-ZXFUBFMLSA-N 2 1 296.414 3.680 20 0 CHADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903078877 1130109844 /nfs/dbraw/zinc/10/98/44/1130109844.db2.gz JSMQKLUIPYJDPB-XITBCQKSSA-N 2 1 276.468 3.559 20 0 CHADMP C[C@H]1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[C@H](C)C1 ZINC000903098831 1130111596 /nfs/dbraw/zinc/11/15/96/1130111596.db2.gz ARADAHSORXTION-JMYGAFISSA-N 2 1 276.468 3.559 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[C@@H](C)C1 ZINC000903098832 1130111685 /nfs/dbraw/zinc/11/16/85/1130111685.db2.gz ARADAHSORXTION-WYHLSDRPSA-N 2 1 276.468 3.559 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[C@@H]1C ZINC000903153716 1130120329 /nfs/dbraw/zinc/12/03/29/1130120329.db2.gz RFYSNJGHFWPAKJ-OKADXRECSA-N 2 1 276.468 3.559 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[C@H]1C ZINC000903153714 1130120338 /nfs/dbraw/zinc/12/03/38/1130120338.db2.gz RFYSNJGHFWPAKJ-BIEPCVITSA-N 2 1 276.468 3.559 20 0 CHADMP CC[C@H]1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903179044 1130124893 /nfs/dbraw/zinc/12/48/93/1130124893.db2.gz LRSWANPHSQTBIR-LSLVUIDQSA-N 2 1 276.468 3.560 20 0 CHADMP c1ccc([C@@H]2C[C@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903177210 1130124919 /nfs/dbraw/zinc/12/49/19/1130124919.db2.gz ITJQMVHNIFWWBP-MWDBYQCVSA-N 2 1 296.458 3.538 20 0 CHADMP C[NH+]1CCC(C[N@H+]2CCCCC[C@H]2c2ccco2)CC1 ZINC000788480592 1130189923 /nfs/dbraw/zinc/18/99/23/1130189923.db2.gz NAVPCEGKRPAHEL-INIZCTEOSA-N 2 1 276.424 3.539 20 0 CHADMP FCCC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903832288 1130204211 /nfs/dbraw/zinc/20/42/11/1130204211.db2.gz PFFKXAUYUSHMJY-ZBONBFHTSA-N 2 1 294.458 3.510 20 0 CHADMP CCC[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1ccc(C)cc1 ZINC001254513954 1130258453 /nfs/dbraw/zinc/25/84/53/1130258453.db2.gz HMGRXGMXELUSJY-QZTJIDSGSA-N 2 1 274.452 3.910 20 0 CHADMP CCc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)ccc1Cl ZINC001206574593 1130262534 /nfs/dbraw/zinc/26/25/34/1130262534.db2.gz RWHQMEPSEADZGO-QGZVFWFLSA-N 2 1 294.870 3.853 20 0 CHADMP C[C@@H]1CC[C@@H]([N@@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170124537 1130284542 /nfs/dbraw/zinc/28/45/42/1130284542.db2.gz XJRLEOYDWMZYLU-VDHUWJSZSA-N 2 1 278.484 3.937 20 0 CHADMP C[C@H]1CC[C@@H]([N@@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170124536 1130284938 /nfs/dbraw/zinc/28/49/38/1130284938.db2.gz XJRLEOYDWMZYLU-LEUOFYLZSA-N 2 1 278.484 3.937 20 0 CHADMP CCCC[C@H](CCC)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677240796 1130296591 /nfs/dbraw/zinc/29/65/91/1130296591.db2.gz KZRFYIZOOFISMI-ULQDDVLXSA-N 2 1 266.473 3.809 20 0 CHADMP CC(C)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@H]1C ZINC000677519593 1130314701 /nfs/dbraw/zinc/31/47/01/1130314701.db2.gz KRIMJWQXYDBJMN-ILOCAZANSA-N 2 1 278.484 3.664 20 0 CHADMP Cc1ccc(C[N@H+](CCCCn2cc[nH+]c2C)C2CC2)o1 ZINC000678073463 1130347358 /nfs/dbraw/zinc/34/73/58/1130347358.db2.gz UBGLMCPLFJQJDY-UHFFFAOYSA-N 2 1 287.407 3.538 20 0 CHADMP Cc1ccc(C[N@@H+](CCCCn2cc[nH+]c2C)C2CC2)o1 ZINC000678073463 1130347363 /nfs/dbraw/zinc/34/73/63/1130347363.db2.gz UBGLMCPLFJQJDY-UHFFFAOYSA-N 2 1 287.407 3.538 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2C2CC2)C[C@H]1C ZINC000678276398 1130389705 /nfs/dbraw/zinc/38/97/05/1130389705.db2.gz HOHWEQGQBLSVDH-QAPCUYQASA-N 2 1 286.463 3.869 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2C2CC2)C[C@H]1C ZINC000678276398 1130389711 /nfs/dbraw/zinc/38/97/11/1130389711.db2.gz HOHWEQGQBLSVDH-QAPCUYQASA-N 2 1 286.463 3.869 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2C2CC2)C[C@H]1C ZINC000678276398 1130389717 /nfs/dbraw/zinc/38/97/17/1130389717.db2.gz HOHWEQGQBLSVDH-QAPCUYQASA-N 2 1 286.463 3.869 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C2CCCC2)CC1 ZINC000678295372 1130392842 /nfs/dbraw/zinc/39/28/42/1130392842.db2.gz VSOKJPJXXXHHRE-INIZCTEOSA-N 2 1 278.484 3.906 20 0 CHADMP C[C@@H](Cc1ccccc1Cl)[N@@H+](C)CCC[NH+]1CCCC1 ZINC001170283412 1130479456 /nfs/dbraw/zinc/47/94/56/1130479456.db2.gz LABUVFMGNZHESP-HNNXBMFYSA-N 2 1 294.870 3.689 20 0 CHADMP Cc1c(Cl)ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1C ZINC001234997432 1130700027 /nfs/dbraw/zinc/70/00/27/1130700027.db2.gz COXFYIWJFVZYRV-QGZVFWFLSA-N 2 1 292.854 3.532 20 0 CHADMP Cc1c(Cl)ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1C ZINC001234997432 1130700029 /nfs/dbraw/zinc/70/00/29/1130700029.db2.gz COXFYIWJFVZYRV-QGZVFWFLSA-N 2 1 292.854 3.532 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(C)c1Cl ZINC001234999011 1130700140 /nfs/dbraw/zinc/70/01/40/1130700140.db2.gz QEPZVMWJDCKYHE-KRWDZBQOSA-N 2 1 292.854 3.532 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(C)c1Cl ZINC001234999011 1130700148 /nfs/dbraw/zinc/70/01/48/1130700148.db2.gz QEPZVMWJDCKYHE-KRWDZBQOSA-N 2 1 292.854 3.532 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234995108 1130701298 /nfs/dbraw/zinc/70/12/98/1130701298.db2.gz XNQOZFBDJORYGM-DDKKJVIOSA-N 2 1 278.484 3.979 20 0 CHADMP CC(C)=CCCC1=CC[C@@H](C[N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)CC1 ZINC001235026331 1130702366 /nfs/dbraw/zinc/70/23/66/1130702366.db2.gz NMKSZNCHBIFIRH-CEXWTWQISA-N 2 1 288.479 3.753 20 0 CHADMP Cc1c(C[N@@H+]2CC3CC2(C[NH3+])C3)cccc1-c1ccccc1 ZINC001235006545 1130702517 /nfs/dbraw/zinc/70/25/17/1130702517.db2.gz JADSSKFJWAOXMJ-UHFFFAOYSA-N 2 1 292.426 3.585 20 0 CHADMP Cc1c(C[N@H+]2CC3CC2(C[NH3+])C3)cccc1-c1ccccc1 ZINC001235006545 1130702521 /nfs/dbraw/zinc/70/25/21/1130702521.db2.gz JADSSKFJWAOXMJ-UHFFFAOYSA-N 2 1 292.426 3.585 20 0 CHADMP Cc1csc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1Cl ZINC001235042411 1130704665 /nfs/dbraw/zinc/70/46/65/1130704665.db2.gz BPLDFHWMBSIDDX-OAHLLOKOSA-N 2 1 298.883 3.818 20 0 CHADMP Cc1csc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1Cl ZINC001235042411 1130704670 /nfs/dbraw/zinc/70/46/70/1130704670.db2.gz BPLDFHWMBSIDDX-OAHLLOKOSA-N 2 1 298.883 3.818 20 0 CHADMP Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235047225 1130706811 /nfs/dbraw/zinc/70/68/11/1130706811.db2.gz UAWPTKBMSZHTKA-KRWDZBQOSA-N 2 1 292.854 3.757 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235047225 1130706815 /nfs/dbraw/zinc/70/68/15/1130706815.db2.gz UAWPTKBMSZHTKA-KRWDZBQOSA-N 2 1 292.854 3.757 20 0 CHADMP c1ccc(-c2cccc(C[N@H+]3CCC34CC[NH2+]CC4)c2)cc1 ZINC001235101488 1130710392 /nfs/dbraw/zinc/71/03/92/1130710392.db2.gz BYCAWOVHDOIQNL-UHFFFAOYSA-N 2 1 292.426 3.682 20 0 CHADMP C[C@@H](CC[N@H+]1CCC2(C1)CC[NH2+]CC2)CC(C)(C)C ZINC001235093876 1130711129 /nfs/dbraw/zinc/71/11/29/1130711129.db2.gz UKNAUYCLDHNHAX-HNNXBMFYSA-N 2 1 266.473 3.524 20 0 CHADMP c1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc2c1CCC2 ZINC001235151519 1130714573 /nfs/dbraw/zinc/71/45/73/1130714573.db2.gz HMLRTDILIOPGIC-FQEVSTJZSA-N 2 1 298.474 3.529 20 0 CHADMP c1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc2c1CCC2 ZINC001235151520 1130715188 /nfs/dbraw/zinc/71/51/88/1130715188.db2.gz HMLRTDILIOPGIC-HXUWFJFHSA-N 2 1 298.474 3.529 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235253690 1130727091 /nfs/dbraw/zinc/72/70/91/1130727091.db2.gz DETLZFGQFDBXHY-QCDWVSHVSA-N 2 1 264.457 3.587 20 0 CHADMP CC(C)=CCCC1=CC[C@@H](C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])CC1 ZINC001235257005 1130730284 /nfs/dbraw/zinc/73/02/84/1130730284.db2.gz WAJCJHUFGAKGBI-XWSJACJDSA-N 2 1 288.479 3.881 20 0 CHADMP c1ccc(-c2ccccc2C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC001235273399 1130730949 /nfs/dbraw/zinc/73/09/49/1130730949.db2.gz SEMFHSQQSLAURT-ICSRJNTNSA-N 2 1 292.426 3.537 20 0 CHADMP c1csc(-c2ccccc2C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001235276619 1130731787 /nfs/dbraw/zinc/73/17/87/1130731787.db2.gz ZRFPDIFIAUMNSJ-WBVHZDCISA-N 2 1 298.455 3.599 20 0 CHADMP CCCCCC[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235350237 1130735802 /nfs/dbraw/zinc/73/58/02/1130735802.db2.gz XXSANXIAKTVOAP-RTBURBONSA-N 2 1 286.463 3.646 20 0 CHADMP Clc1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235426273 1130741947 /nfs/dbraw/zinc/74/19/47/1130741947.db2.gz OISQJDFQAIASOI-LSDHHAIUSA-N 2 1 292.854 3.552 20 0 CHADMP c1ccc(C2CC2)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235423688 1130741991 /nfs/dbraw/zinc/74/19/91/1130741991.db2.gz GIJFURSBNYMXGW-ZWKOTPCHSA-N 2 1 298.474 3.776 20 0 CHADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001235425698 1130742657 /nfs/dbraw/zinc/74/26/57/1130742657.db2.gz MMQDPKIKXMJAFR-RDGPPVDQSA-N 2 1 290.495 3.690 20 0 CHADMP CCCCc1ccc(C[N@@H+](C)CC2CC[NH2+]CC2)s1 ZINC001235434036 1130744032 /nfs/dbraw/zinc/74/40/32/1130744032.db2.gz YJUQSOWSQFGGST-UHFFFAOYSA-N 2 1 280.481 3.522 20 0 CHADMP Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1cccc(C[NH3+])c1 ZINC001235444799 1130745060 /nfs/dbraw/zinc/74/50/60/1130745060.db2.gz RWUPJHCDGTYWKR-IBGZPJMESA-N 2 1 280.415 3.791 20 0 CHADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C2CC2)CC1)CC1CC1 ZINC000782188311 1130759731 /nfs/dbraw/zinc/75/97/31/1130759731.db2.gz BVBAZXYUFRHBGH-HNNXBMFYSA-N 2 1 278.484 3.619 20 0 CHADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001235673142 1130764900 /nfs/dbraw/zinc/76/49/00/1130764900.db2.gz LUBZAOPLCOAGJK-INIZCTEOSA-N 2 1 298.405 3.663 20 0 CHADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc3oc4ccccc4c3c2)C1 ZINC001235672402 1130765027 /nfs/dbraw/zinc/76/50/27/1130765027.db2.gz CLMVCFGKADIBDV-HNNXBMFYSA-N 2 1 294.398 3.757 20 0 CHADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(-c3cccs3)cc2)C1 ZINC001235673751 1130765840 /nfs/dbraw/zinc/76/58/40/1130765840.db2.gz CZJSRJWLMYDBQF-OAHLLOKOSA-N 2 1 286.444 3.586 20 0 CHADMP Fc1ccccc1[C@H]1CCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001235680533 1130767197 /nfs/dbraw/zinc/76/71/97/1130767197.db2.gz TXRYFGVDGPXYAE-CRAIPNDOSA-N 2 1 290.426 3.742 20 0 CHADMP c1ccc([C@@H]2CCC[N@H+]2CCC[NH2+]C2CCCCC2)nc1 ZINC001235694271 1130770319 /nfs/dbraw/zinc/77/03/19/1130770319.db2.gz AUNAFYWDIKAFHA-SFHVURJKSA-N 2 1 287.451 3.531 20 0 CHADMP c1ccc([C@@H]2CCC[N@@H+]2CCC[NH2+]C2CCCCC2)nc1 ZINC001235694271 1130770321 /nfs/dbraw/zinc/77/03/21/1130770321.db2.gz AUNAFYWDIKAFHA-SFHVURJKSA-N 2 1 287.451 3.531 20 0 CHADMP C[N@@H+](CCC1CC[NH2+]CC1)CCC(C)(C)c1ccccc1 ZINC001235714529 1130772110 /nfs/dbraw/zinc/77/21/10/1130772110.db2.gz MNKDKPZAVKIDSW-UHFFFAOYSA-N 2 1 288.479 3.676 20 0 CHADMP CC1([NH3+])CC[NH+](Cc2ccc(F)c(-c3ccccc3)c2)CC1 ZINC001235751777 1130776059 /nfs/dbraw/zinc/77/60/59/1130776059.db2.gz BLNMEDBSOUMVQH-UHFFFAOYSA-N 2 1 298.405 3.806 20 0 CHADMP C[N@H+](Cc1c2ccccc2[nH]c1C(C)(C)C)C[C@H]1CC[NH2+]C1 ZINC001235842000 1130787363 /nfs/dbraw/zinc/78/73/63/1130787363.db2.gz LNTUFZQHGXPIEF-AWEZNQCLSA-N 2 1 299.462 3.507 20 0 CHADMP Cc1ccc(-c2cccc(C[N@@H+](C)C[C@H]3CC[NH2+]C3)c2)cc1 ZINC001235842932 1130787439 /nfs/dbraw/zinc/78/74/39/1130787439.db2.gz UHWMFBRHYCSNRH-SFHVURJKSA-N 2 1 294.442 3.703 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000783224220 1130803282 /nfs/dbraw/zinc/80/32/82/1130803282.db2.gz PGXFBDWFBQIJRU-GJYPPUQNSA-N 2 1 286.463 3.949 20 0 CHADMP CCCCCOc1ccc(C[N@H+]2CCC[C@H]2CC[NH3+])cc1 ZINC001235925283 1130806385 /nfs/dbraw/zinc/80/63/85/1130806385.db2.gz PKKFTVMGRVSAJI-KRWDZBQOSA-N 2 1 290.451 3.569 20 0 CHADMP CC1(C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CC[NH2+]CC1 ZINC001235948412 1130813420 /nfs/dbraw/zinc/81/34/20/1130813420.db2.gz RYTGFVHVPWPESJ-OAHLLOKOSA-N 2 1 292.854 3.519 20 0 CHADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cccc(-c3ccccc3)c1)C2 ZINC001235959195 1130816652 /nfs/dbraw/zinc/81/66/52/1130816652.db2.gz HMTYPBKUEXFGKK-ACDBMABISA-N 2 1 292.426 3.523 20 0 CHADMP C[C@H](C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+])c1cccc2ccccc21 ZINC001235958307 1130817099 /nfs/dbraw/zinc/81/70/99/1130817099.db2.gz DJRVJISHZNIFPB-DFYYWFRZSA-N 2 1 294.442 3.612 20 0 CHADMP C[C@H]1C[C@H]([NH3+])C[N@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001236046310 1130837332 /nfs/dbraw/zinc/83/73/32/1130837332.db2.gz FTORODIOWAPEJC-LIRRHRJNSA-N 2 1 298.405 3.662 20 0 CHADMP C[C@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001236046310 1130837336 /nfs/dbraw/zinc/83/73/36/1130837336.db2.gz FTORODIOWAPEJC-LIRRHRJNSA-N 2 1 298.405 3.662 20 0 CHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001236067663 1130845188 /nfs/dbraw/zinc/84/51/88/1130845188.db2.gz SIZYVNFIMLEOLL-INIZCTEOSA-N 2 1 298.405 3.534 20 0 CHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2-c2ccccc2C)C1 ZINC001236065714 1130846118 /nfs/dbraw/zinc/84/61/18/1130846118.db2.gz CRKREEGLQRMHNC-QGZVFWFLSA-N 2 1 294.442 3.703 20 0 CHADMP Cc1c(C[N@H+]2CCC[NH2+][C@@H](C)C2)cccc1-c1ccccc1 ZINC001236101651 1130861833 /nfs/dbraw/zinc/86/18/33/1130861833.db2.gz YLNSRRHXHGWMLG-INIZCTEOSA-N 2 1 294.442 3.846 20 0 CHADMP CCC[N@@H+](CCCC1CCCCC1)C1CC[NH2+]CC1 ZINC001236181178 1130880692 /nfs/dbraw/zinc/88/06/92/1130880692.db2.gz VXUUNDXELAYSQX-UHFFFAOYSA-N 2 1 266.473 3.811 20 0 CHADMP CCC[N@@H+](Cc1c(C)cccc1CC)C1CC[NH2+]CC1 ZINC001236183985 1130880889 /nfs/dbraw/zinc/88/08/89/1130880889.db2.gz DMTGDDPHBMQQHQ-UHFFFAOYSA-N 2 1 274.452 3.521 20 0 CHADMP CCCCc1ccc(C[N@@H+](CCC)C2CC[NH2+]CC2)cc1 ZINC001236182542 1130881708 /nfs/dbraw/zinc/88/17/08/1130881708.db2.gz QOPIVMOEBLJDFA-UHFFFAOYSA-N 2 1 288.479 3.993 20 0 CHADMP CCC[N@@H+](Cc1cccc2c1CCCC2)C1CC[NH2+]CC1 ZINC001236184115 1130881963 /nfs/dbraw/zinc/88/19/63/1130881963.db2.gz FHXUIZRSAUGXJD-UHFFFAOYSA-N 2 1 286.463 3.529 20 0 CHADMP CCC[N@@H+](Cc1cccc(C(C)(C)C)c1)C1CC[NH2+]CC1 ZINC001236182259 1130882283 /nfs/dbraw/zinc/88/22/83/1130882283.db2.gz IPAXLDOFDAHLQX-UHFFFAOYSA-N 2 1 288.479 3.948 20 0 CHADMP CCC[N@@H+](Cc1cc(O)cc2ccccc21)C1CC[NH2+]CC1 ZINC001236184769 1130882323 /nfs/dbraw/zinc/88/23/23/1130882323.db2.gz OKYYOZQHHNOCCL-UHFFFAOYSA-N 2 1 298.430 3.509 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(Cl)c(C)c2F)CC1 ZINC001236215778 1130889135 /nfs/dbraw/zinc/88/91/35/1130889135.db2.gz QHCWFTOIKOOQAC-UHFFFAOYSA-N 2 1 298.833 3.750 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(C)cc(C)c2Cl)CC1 ZINC001236214477 1130889518 /nfs/dbraw/zinc/88/95/18/1130889518.db2.gz FYRWGYQEXODTDX-UHFFFAOYSA-N 2 1 294.870 3.919 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)CCc2ccc(C(C)C)cc2)CC1 ZINC001236212696 1130890796 /nfs/dbraw/zinc/89/07/96/1130890796.db2.gz MEPGMEUNCZBTIL-UHFFFAOYSA-N 2 1 288.479 3.815 20 0 CHADMP C[N@H+](Cc1ccc(C2CCC2)cc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217002 1130892005 /nfs/dbraw/zinc/89/20/05/1130892005.db2.gz MKBMSPILPZBVRQ-QZTJIDSGSA-N 2 1 272.436 3.656 20 0 CHADMP C[N@@H+](Cc1ccc(C2CCC2)cc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217002 1130892011 /nfs/dbraw/zinc/89/20/11/1130892011.db2.gz MKBMSPILPZBVRQ-QZTJIDSGSA-N 2 1 272.436 3.656 20 0 CHADMP C[N@H+](Cc1ccc(C2CCC2)cc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217001 1130893069 /nfs/dbraw/zinc/89/30/69/1130893069.db2.gz MKBMSPILPZBVRQ-MSOLQXFVSA-N 2 1 272.436 3.656 20 0 CHADMP C[N@@H+](Cc1ccc(C2CCC2)cc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217001 1130893078 /nfs/dbraw/zinc/89/30/78/1130893078.db2.gz MKBMSPILPZBVRQ-MSOLQXFVSA-N 2 1 272.436 3.656 20 0 CHADMP C[N@@H+](Cc1cccc2c(F)cccc12)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236218349 1130894019 /nfs/dbraw/zinc/89/40/19/1130894019.db2.gz SHTUYXNBXWJWJZ-QZTJIDSGSA-N 2 1 286.394 3.681 20 0 CHADMP Cc1ccc(C[N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)c2ccccc12 ZINC001236221910 1130894635 /nfs/dbraw/zinc/89/46/35/1130894635.db2.gz ICNYPDYCXJEUQI-QAQDUYKDSA-N 2 1 282.431 3.850 20 0 CHADMP Cc1ccc([C@@H]2CCCC[N@H+]2CC23CC([NH3+])(C2)C3)cc1C ZINC001236243042 1130903688 /nfs/dbraw/zinc/90/36/88/1130903688.db2.gz AYYSADZOFVVTKK-VIQWUECVSA-N 2 1 284.447 3.712 20 0 CHADMP Cc1[nH+]c(N)ccc1-c1ccc(C[NH+]2CCCCC2)c(F)c1 ZINC001236251084 1130906043 /nfs/dbraw/zinc/90/60/43/1130906043.db2.gz MCDIIOYPADLNQB-UHFFFAOYSA-N 2 1 299.393 3.764 20 0 CHADMP CC[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001236302669 1130911229 /nfs/dbraw/zinc/91/12/29/1130911229.db2.gz ARASUSHKHSTUCC-UONOGXRCSA-N 2 1 286.341 3.580 20 0 CHADMP CC[C@H]([NH3+])C[N@H+]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001236302669 1130911233 /nfs/dbraw/zinc/91/12/33/1130911233.db2.gz ARASUSHKHSTUCC-UONOGXRCSA-N 2 1 286.341 3.580 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001236364708 1130920183 /nfs/dbraw/zinc/92/01/83/1130920183.db2.gz ZDOPQDKAJZRVFF-IHRRRGAJSA-N 2 1 292.389 3.580 20 0 CHADMP Fc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC001236373711 1130923553 /nfs/dbraw/zinc/92/35/53/1130923553.db2.gz JYPFZQCCUAJTKX-MRXNPFEDSA-N 2 1 290.426 3.570 20 0 CHADMP C(C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1)C1CCCC1 ZINC001236373219 1130923766 /nfs/dbraw/zinc/92/37/66/1130923766.db2.gz UZCDXFUAWUBVFA-KRWDZBQOSA-N 2 1 278.484 3.811 20 0 CHADMP CC(C)(C)CC[N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236401601 1130928983 /nfs/dbraw/zinc/92/89/83/1130928983.db2.gz POTQLUWPWPVGHN-UHFFFAOYSA-N 2 1 292.442 3.816 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1-c1ccccc1 ZINC001236416641 1130933594 /nfs/dbraw/zinc/93/35/94/1130933594.db2.gz GSFFEBOAIJLFNX-GOSISDBHSA-N 2 1 280.415 3.537 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1-c1ccccc1 ZINC001236416641 1130933598 /nfs/dbraw/zinc/93/35/98/1130933598.db2.gz GSFFEBOAIJLFNX-GOSISDBHSA-N 2 1 280.415 3.537 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1CCC[C@H]([NH3+])[C@H]1C ZINC001236421695 1130936206 /nfs/dbraw/zinc/93/62/06/1130936206.db2.gz SPHJYFLUXLZHRB-UZLBHIALSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@H]([NH3+])[C@H]1C ZINC001236421695 1130936210 /nfs/dbraw/zinc/93/62/10/1130936210.db2.gz SPHJYFLUXLZHRB-UZLBHIALSA-N 2 1 294.442 3.974 20 0 CHADMP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccccc1-c1ccccc1 ZINC001236422471 1130937585 /nfs/dbraw/zinc/93/75/85/1130937585.db2.gz WOIPWIVIHYAPOF-KXBFYZLASA-N 2 1 280.415 3.665 20 0 CHADMP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccccc1-c1ccccc1 ZINC001236422471 1130937588 /nfs/dbraw/zinc/93/75/88/1130937588.db2.gz WOIPWIVIHYAPOF-KXBFYZLASA-N 2 1 280.415 3.665 20 0 CHADMP CC(C)(C)C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001236452326 1130945033 /nfs/dbraw/zinc/94/50/33/1130945033.db2.gz DGWFXBOVGIUZBH-UHFFFAOYSA-N 2 1 294.870 3.940 20 0 CHADMP CC(C)[N@H+](Cc1cccc2c1CCCC2)[C@@H]1CCC[NH2+]C1 ZINC001236470724 1130948731 /nfs/dbraw/zinc/94/87/31/1130948731.db2.gz NFJNRJGNCUEZNI-GOSISDBHSA-N 2 1 286.463 3.528 20 0 CHADMP CC(C)[N@@H+](Cc1cccc2c1CCCC2)[C@@H]1CCC[NH2+]C1 ZINC001236470724 1130948735 /nfs/dbraw/zinc/94/87/35/1130948735.db2.gz NFJNRJGNCUEZNI-GOSISDBHSA-N 2 1 286.463 3.528 20 0 CHADMP CC(C)C[N@@H+](Cc1cccc2ccoc21)[C@@H]1CCC[NH2+]C1 ZINC001236476566 1130950553 /nfs/dbraw/zinc/95/05/53/1130950553.db2.gz ZCYNZLOPXZUVMX-QGZVFWFLSA-N 2 1 286.419 3.643 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCc2ccccc2)CC2CCC2)CC1 ZINC001236540567 1130968777 /nfs/dbraw/zinc/96/87/77/1130968777.db2.gz GJSQDXQPDYJCAU-WGSAOQKQSA-N 2 1 286.463 3.601 20 0 CHADMP Cc1ccc(C[N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)s1 ZINC001236540647 1130969064 /nfs/dbraw/zinc/96/90/64/1130969064.db2.gz IPPRFFIKCHMGJF-WKILWMFISA-N 2 1 292.492 3.929 20 0 CHADMP CC(C)CCC[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236542077 1130969164 /nfs/dbraw/zinc/96/91/64/1130969164.db2.gz SSMBLVVNCVWPEI-QAQDUYKDSA-N 2 1 266.473 3.795 20 0 CHADMP CC(C)C[N@@H+](Cc1cccc2cc[nH]c21)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550933 1130973317 /nfs/dbraw/zinc/97/33/17/1130973317.db2.gz DYQQWTWKFWLYIC-IYARVYRRSA-N 2 1 299.462 3.896 20 0 CHADMP Cc1ccc(C[N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)s1 ZINC001236550850 1130973525 /nfs/dbraw/zinc/97/35/25/1130973525.db2.gz NUMMQTSQSSTMAM-SHTZXODSSA-N 2 1 280.481 3.784 20 0 CHADMP C[C@@H](C[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1)c1ccccc1 ZINC001236550083 1130973539 /nfs/dbraw/zinc/97/35/39/1130973539.db2.gz DDBWVVPAHFHTCH-SNRMKQJTSA-N 2 1 286.463 3.772 20 0 CHADMP Cc1ccccc1C[N@H+](C[C@H]1C[C@H]1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236556554 1130974180 /nfs/dbraw/zinc/97/41/80/1130974180.db2.gz WPADSGHFOFEPHB-NXWXRZEISA-N 2 1 286.463 3.723 20 0 CHADMP Cc1ccccc1C[N@@H+](CCC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236556061 1130974741 /nfs/dbraw/zinc/97/47/41/1130974741.db2.gz PXSAZHJKNOAQFI-WGSAOQKQSA-N 2 1 286.463 3.867 20 0 CHADMP Cc1ccc(C[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c(F)c1 ZINC001236572232 1130978330 /nfs/dbraw/zinc/97/83/30/1130978330.db2.gz KKELXJRKGFRYLT-JCNLHEQBSA-N 2 1 290.426 3.759 20 0 CHADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001236606066 1130983151 /nfs/dbraw/zinc/98/31/51/1130983151.db2.gz ZBAMHPITSCCSSN-IBGZPJMESA-N 2 1 299.462 3.636 20 0 CHADMP CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)C[C@@H]1CC[NH2+]C1 ZINC001236662486 1130990652 /nfs/dbraw/zinc/99/06/52/1130990652.db2.gz JURIWGRVLLWVRY-MOPGFXCFSA-N 2 1 288.479 3.719 20 0 CHADMP Cc1ccc(C[N@@H+](CCC2CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236713961 1130996975 /nfs/dbraw/zinc/99/69/75/1130996975.db2.gz JWPQYOSZUDGTBS-WGSAOQKQSA-N 2 1 286.463 3.867 20 0 CHADMP Cc1c(F)ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1Cl ZINC001236711508 1130997611 /nfs/dbraw/zinc/99/76/11/1130997611.db2.gz OEMFMVVWCNOTHB-UHFFFAOYSA-N 2 1 298.833 3.561 20 0 CHADMP Cc1cc(C)c(C[N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)[nH]1 ZINC001236767527 1131003949 /nfs/dbraw/zinc/00/39/49/1131003949.db2.gz NNWUNLHGLGUVMU-WKILWMFISA-N 2 1 291.483 3.750 20 0 CHADMP CC(C)(C)C[N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236768703 1131004480 /nfs/dbraw/zinc/00/44/80/1131004480.db2.gz OVRUZRFLZMXRLI-WKILWMFISA-N 2 1 266.473 3.795 20 0 CHADMP CCC(CC)[N@@H+](CCC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236783666 1131007602 /nfs/dbraw/zinc/00/76/02/1131007602.db2.gz WVWQPODNWOPHAI-KOMQPUFPSA-N 2 1 252.446 3.547 20 0 CHADMP CCC[N@H+](Cc1cc(C)c(Cl)c(C)c1)C[C@H]1CC[NH2+]C1 ZINC001236843706 1131021418 /nfs/dbraw/zinc/02/14/18/1131021418.db2.gz PVXGYBQSCQJQPO-HNNXBMFYSA-N 2 1 294.870 3.778 20 0 CHADMP C[C@H]([NH3+])C[N@H+](C)Cc1ccccc1-c1ccc(Cl)cc1 ZINC001236903544 1131031778 /nfs/dbraw/zinc/03/17/78/1131031778.db2.gz FHKPCPJUOWBXJJ-ZDUSSCGKSA-N 2 1 288.822 3.786 20 0 CHADMP C[C@H]([NH3+])C[N@@H+](C)Cc1ccccc1-c1ccc(Cl)cc1 ZINC001236903544 1131031782 /nfs/dbraw/zinc/03/17/82/1131031782.db2.gz FHKPCPJUOWBXJJ-ZDUSSCGKSA-N 2 1 288.822 3.786 20 0 CHADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C4CCC4)cc3)C[C@@H]2C1 ZINC001237107339 1131051287 /nfs/dbraw/zinc/05/12/87/1131051287.db2.gz OSHDPASWJMRFLH-BGYRXZFFSA-N 2 1 298.474 3.728 20 0 CHADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C4CCC4)cc3)C[C@@H]2C1 ZINC001237107339 1131051291 /nfs/dbraw/zinc/05/12/91/1131051291.db2.gz OSHDPASWJMRFLH-BGYRXZFFSA-N 2 1 298.474 3.728 20 0 CHADMP CC(C)c1ccccc1C[N@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237156110 1131059378 /nfs/dbraw/zinc/05/93/78/1131059378.db2.gz OFMBYBRPQFQPBG-GOSISDBHSA-N 2 1 286.463 3.917 20 0 CHADMP CC(C)c1ccccc1C[N@@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237156110 1131059383 /nfs/dbraw/zinc/05/93/83/1131059383.db2.gz OFMBYBRPQFQPBG-GOSISDBHSA-N 2 1 286.463 3.917 20 0 CHADMP Cc1cc(C)c(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1C ZINC001237156112 1131060612 /nfs/dbraw/zinc/06/06/12/1131060612.db2.gz OFTFEUGXKDGYNH-IBGZPJMESA-N 2 1 286.463 3.718 20 0 CHADMP Cc1cc(C)c(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1C ZINC001237156112 1131060617 /nfs/dbraw/zinc/06/06/17/1131060617.db2.gz OFTFEUGXKDGYNH-IBGZPJMESA-N 2 1 286.463 3.718 20 0 CHADMP CC(C)=CCCC1=CC[C@@H](C[N@H+]2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC001237203388 1131070479 /nfs/dbraw/zinc/07/04/79/1131070479.db2.gz FLYKBZCLOQLOFM-NXHRZFHOSA-N 2 1 276.468 3.881 20 0 CHADMP CC(C)=CCCC1=CC[C@@H](C[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC001237203388 1131070486 /nfs/dbraw/zinc/07/04/86/1131070486.db2.gz FLYKBZCLOQLOFM-NXHRZFHOSA-N 2 1 276.468 3.881 20 0 CHADMP CC[C@@H](c1ccccc1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178527 1131074123 /nfs/dbraw/zinc/07/41/23/1131074123.db2.gz YSMVTGSESHLUDF-SFHVURJKSA-N 2 1 286.463 3.946 20 0 CHADMP CCC(C)(C)CC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178836 1131074299 /nfs/dbraw/zinc/07/42/99/1131074299.db2.gz MTNWVGVJTZFYCH-UHFFFAOYSA-N 2 1 266.473 3.621 20 0 CHADMP c1ccc2c(c1)C[N@H+](CCC1CCCC1)C21CC[NH2+]CC1 ZINC001237300413 1131079221 /nfs/dbraw/zinc/07/92/21/1131079221.db2.gz LDKWHSHISMITNS-UHFFFAOYSA-N 2 1 284.447 3.661 20 0 CHADMP CCc1cccc(C)c1C[NH+]1CCC([NH+](CC)CC)CC1 ZINC001237328200 1131085407 /nfs/dbraw/zinc/08/54/07/1131085407.db2.gz WPFPQFLMFFVHQO-UHFFFAOYSA-N 2 1 288.479 3.864 20 0 CHADMP CCC[C@H](C)C[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001237359071 1131091326 /nfs/dbraw/zinc/09/13/26/1131091326.db2.gz MVCLUCMYJTXVOD-HNNXBMFYSA-N 2 1 272.436 3.517 20 0 CHADMP c1ccc(C2(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)CCCC2)cc1 ZINC001237381238 1131091734 /nfs/dbraw/zinc/09/17/34/1131091734.db2.gz IIISACWTQMMXLP-PKOBYXMFSA-N 2 1 298.474 3.572 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c(C)c1Cl ZINC001237408397 1131096461 /nfs/dbraw/zinc/09/64/61/1131096461.db2.gz BFARJZWVGDODAI-HOTGVXAUSA-N 2 1 292.854 3.531 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c(C)c1Cl ZINC001237408397 1131096466 /nfs/dbraw/zinc/09/64/66/1131096466.db2.gz BFARJZWVGDODAI-HOTGVXAUSA-N 2 1 292.854 3.531 20 0 CHADMP C[N@H+]1CCCC2(CC[NH+](CC3(C)CCCCC3)CC2)C1 ZINC001278149316 1131142783 /nfs/dbraw/zinc/14/27/83/1131142783.db2.gz CLDBZTXKRHHBIV-UHFFFAOYSA-N 2 1 278.484 3.765 20 0 CHADMP c1ncn2c1cccc2C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001238120590 1131171961 /nfs/dbraw/zinc/17/19/61/1131171961.db2.gz YLOQUGZMVGHUMN-MRXNPFEDSA-N 2 1 283.419 3.737 20 0 CHADMP c1[nH+]cn2c1cccc2C[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001238120590 1131171965 /nfs/dbraw/zinc/17/19/65/1131171965.db2.gz YLOQUGZMVGHUMN-MRXNPFEDSA-N 2 1 283.419 3.737 20 0 CHADMP c1[nH+]cn2c1cccc2C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001238120590 1131171969 /nfs/dbraw/zinc/17/19/69/1131171969.db2.gz YLOQUGZMVGHUMN-MRXNPFEDSA-N 2 1 283.419 3.737 20 0 CHADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccccc1SC(C)(C)C ZINC000817977353 1131195021 /nfs/dbraw/zinc/19/50/21/1131195021.db2.gz ILXHMDQIVRIFFX-AVGNSLFASA-N 2 1 280.481 3.964 20 0 CHADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(F)c(C2CC2)c1 ZINC001238503350 1131209919 /nfs/dbraw/zinc/20/99/19/1131209919.db2.gz ZTAKGZPBZROKDQ-UHFFFAOYSA-N 2 1 290.426 3.621 20 0 CHADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(F)c(C2CC2)c1 ZINC001238503350 1131209923 /nfs/dbraw/zinc/20/99/23/1131209923.db2.gz ZTAKGZPBZROKDQ-UHFFFAOYSA-N 2 1 290.426 3.621 20 0 CHADMP c1cc2cccc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)c2o1 ZINC001118516570 1131229397 /nfs/dbraw/zinc/22/93/97/1131229397.db2.gz KHWLKGIFINHXLD-MRXNPFEDSA-N 2 1 298.430 3.644 20 0 CHADMP Cc1cccc(C)c1C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001137850856 1131423543 /nfs/dbraw/zinc/42/35/43/1131423543.db2.gz XPUPYEQCPZVGCT-UHFFFAOYSA-N 2 1 288.479 3.856 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC001138543577 1131518507 /nfs/dbraw/zinc/51/85/07/1131518507.db2.gz PRNSALBMVGQIMA-CQSZACIVSA-N 2 1 269.392 3.555 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC001138543577 1131518510 /nfs/dbraw/zinc/51/85/10/1131518510.db2.gz PRNSALBMVGQIMA-CQSZACIVSA-N 2 1 269.392 3.555 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@H](C)C[C@H]2C)cc1 ZINC001138547231 1131518968 /nfs/dbraw/zinc/51/89/68/1131518968.db2.gz IEDAFOFSWKVKEN-LSDHHAIUSA-N 2 1 283.419 3.801 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2C)cc1 ZINC001138547231 1131518971 /nfs/dbraw/zinc/51/89/71/1131518971.db2.gz IEDAFOFSWKVKEN-LSDHHAIUSA-N 2 1 283.419 3.801 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CC3CCC(CC3)C2)cc1 ZINC001138550189 1131520299 /nfs/dbraw/zinc/52/02/99/1131520299.db2.gz NQVYNBRJJDDZID-UHFFFAOYSA-N 2 1 295.430 3.803 20 0 CHADMP CCC(CC)[N@H+](C)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138548302 1131520411 /nfs/dbraw/zinc/52/04/11/1131520411.db2.gz DPBJIJJDVPFMAZ-UHFFFAOYSA-N 2 1 271.408 3.801 20 0 CHADMP CCC(CC)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138548302 1131520414 /nfs/dbraw/zinc/52/04/14/1131520414.db2.gz DPBJIJJDVPFMAZ-UHFFFAOYSA-N 2 1 271.408 3.801 20 0 CHADMP CC(C)[N@@H+](Cc1ccc2cccnc2c1)C1CCN(C)CC1 ZINC001139173035 1131591803 /nfs/dbraw/zinc/59/18/03/1131591803.db2.gz CUCNODXPZNEASU-UHFFFAOYSA-N 2 1 297.446 3.539 20 0 CHADMP C[C@@]1(F)CCCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC001139356343 1131603882 /nfs/dbraw/zinc/60/38/82/1131603882.db2.gz KIEUIZFOBPOXDL-QGZVFWFLSA-N 2 1 287.382 3.586 20 0 CHADMP CCCCCC[C@H](CC)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246555510 1131616512 /nfs/dbraw/zinc/61/65/12/1131616512.db2.gz XQOLSSYTBQWQLE-JKSUJKDBSA-N 2 1 254.462 3.939 20 0 CHADMP CCCC1CCC([N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC001246559495 1131621337 /nfs/dbraw/zinc/62/13/37/1131621337.db2.gz ANMRFDJWFNXGGN-KZYLPZIUSA-N 2 1 266.473 3.652 20 0 CHADMP CCCC1CCC([N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)CC1 ZINC001246563344 1131624448 /nfs/dbraw/zinc/62/44/48/1131624448.db2.gz WUSMVFDDMKGZDD-KZYLPZIUSA-N 2 1 266.473 3.652 20 0 CHADMP CC(C)C1CCC([N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC001246567524 1131633419 /nfs/dbraw/zinc/63/34/19/1131633419.db2.gz LLJSVTOZCSCVAU-SOEBMCCKSA-N 2 1 266.473 3.508 20 0 CHADMP CCCCC(CCCC)[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001246567276 1131635277 /nfs/dbraw/zinc/63/52/77/1131635277.db2.gz WXGKGZGIHYSACY-CABCVRRESA-N 2 1 254.462 3.795 20 0 CHADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)(F)CC2)CC[NH2+]1 ZINC001246570886 1131645599 /nfs/dbraw/zinc/64/55/99/1131645599.db2.gz TZGZRIRJORJPKR-OWCLPIDISA-N 2 1 270.436 3.511 20 0 CHADMP Cc1nccn1-c1ccccc1C[N@H+]1CCCC[C@@H](F)C1 ZINC001140022416 1131657624 /nfs/dbraw/zinc/65/76/24/1131657624.db2.gz DBQXATOTCBWXES-MRXNPFEDSA-N 2 1 287.382 3.505 20 0 CHADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C)[C@@H](C)C2)CC[NH2+]1 ZINC001246577091 1131662789 /nfs/dbraw/zinc/66/27/89/1131662789.db2.gz VEKADWLTWPZCNZ-YYIAUSFCSA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)=CCC[C@@H](C)[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246587195 1131698951 /nfs/dbraw/zinc/69/89/51/1131698951.db2.gz VVYINIGLBMKZKG-HZPDHXFCSA-N 2 1 252.446 3.572 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000846217878 1131700687 /nfs/dbraw/zinc/70/06/87/1131700687.db2.gz HVXQSDFPTXEPGE-HNNXBMFYSA-N 2 1 280.843 3.648 20 0 CHADMP CCOc1ccc([C@H]2CCC[N@H+]2CCCCCC[NH3+])cc1 ZINC000846217685 1131700733 /nfs/dbraw/zinc/70/07/33/1131700733.db2.gz LSIMITNVSFHBBX-GOSISDBHSA-N 2 1 290.451 3.741 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000846217791 1131700976 /nfs/dbraw/zinc/70/09/76/1131700976.db2.gz BUGBPJLBOFHQLB-INIZCTEOSA-N 2 1 280.843 3.996 20 0 CHADMP CCCC[C@@H]1C[C@@H]([NH+]2CCC(C(F)(F)F)CC2)CC[NH2+]1 ZINC001246597089 1131711210 /nfs/dbraw/zinc/71/12/10/1131711210.db2.gz DUYNMTDTFMVMQD-KGLIPLIRSA-N 2 1 292.389 3.572 20 0 CHADMP CC1(C)CCC[C@@H]([N@H+]2CCC[C@]23CCC[NH2+]CC3)C1 ZINC001246606931 1131714043 /nfs/dbraw/zinc/71/40/43/1131714043.db2.gz OPRFOYLHVWEUHZ-WBVHZDCISA-N 2 1 264.457 3.563 20 0 CHADMP C1C[C@]2(CCC[N@@H+](C3CCC4(CCCCC4)CC3)C2)[NH2+]1 ZINC001246607301 1131716765 /nfs/dbraw/zinc/71/67/65/1131716765.db2.gz CWQSYRWDNLADOW-SFHVURJKSA-N 2 1 276.468 3.707 20 0 CHADMP C1C[C@]2(CCC[N@H+](C3CCC4(CCCCC4)CC3)C2)[NH2+]1 ZINC001246607301 1131716769 /nfs/dbraw/zinc/71/67/69/1131716769.db2.gz CWQSYRWDNLADOW-SFHVURJKSA-N 2 1 276.468 3.707 20 0 CHADMP CCCCC(CCCC)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001246616138 1131719342 /nfs/dbraw/zinc/71/93/42/1131719342.db2.gz YJPYBXKDCWQESA-MRXNPFEDSA-N 2 1 252.446 3.563 20 0 CHADMP Cc1ccccc1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000834893491 1131720711 /nfs/dbraw/zinc/72/07/11/1131720711.db2.gz OGFCZNYRLSFTQE-RGPMPMONSA-N 2 1 286.463 3.907 20 0 CHADMP CC(C)(C)C1CCC([N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)CC1 ZINC001246628937 1131734899 /nfs/dbraw/zinc/73/48/99/1131734899.db2.gz YWAKHRTVAJVNQT-LEOMRAHMSA-N 2 1 278.484 3.809 20 0 CHADMP CC(C)(C)C1CCC([N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)CC1 ZINC001246628937 1131734907 /nfs/dbraw/zinc/73/49/07/1131734907.db2.gz YWAKHRTVAJVNQT-LEOMRAHMSA-N 2 1 278.484 3.809 20 0 CHADMP CCCC[C@@H](CCC)[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246634432 1131740843 /nfs/dbraw/zinc/74/08/43/1131740843.db2.gz NQHUEORKNVLETQ-SJORKVTESA-N 2 1 266.473 3.953 20 0 CHADMP CCCC[C@@H](CCC)[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246634432 1131740844 /nfs/dbraw/zinc/74/08/44/1131740844.db2.gz NQHUEORKNVLETQ-SJORKVTESA-N 2 1 266.473 3.953 20 0 CHADMP CCCCCC(CCCCC)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246635459 1131751431 /nfs/dbraw/zinc/75/14/31/1131751431.db2.gz RGBCKAYWDDJMOF-DLBZAZTESA-N 2 1 266.473 3.952 20 0 CHADMP CCCCCC(CCCCC)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246635459 1131751441 /nfs/dbraw/zinc/75/14/41/1131751441.db2.gz RGBCKAYWDDJMOF-DLBZAZTESA-N 2 1 266.473 3.952 20 0 CHADMP C1CC2(CC[NH+]([C@H]3CCCC4(CCCCC4)C3)CC2)[NH2+]1 ZINC001246649638 1131776031 /nfs/dbraw/zinc/77/60/31/1131776031.db2.gz PVJQLUZBSSTGCX-INIZCTEOSA-N 2 1 276.468 3.707 20 0 CHADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCC(C(C)C)CC1 ZINC001246971363 1131829726 /nfs/dbraw/zinc/82/97/26/1131829726.db2.gz AULAPUHYLOAKMV-KLAILNCOSA-N 2 1 266.473 3.523 20 0 CHADMP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccc(Cl)cc1 ZINC001140807417 1131929354 /nfs/dbraw/zinc/92/93/54/1131929354.db2.gz YLSAHNHPYPWTCA-UHFFFAOYSA-N 2 1 285.778 3.848 20 0 CHADMP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccc(Cl)cc1 ZINC001140807417 1131929360 /nfs/dbraw/zinc/92/93/60/1131929360.db2.gz YLSAHNHPYPWTCA-UHFFFAOYSA-N 2 1 285.778 3.848 20 0 CHADMP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1(C)CC1 ZINC000716639061 1132028624 /nfs/dbraw/zinc/02/86/24/1132028624.db2.gz RNDOBBAHCMLEFS-KANFNMMFSA-N 2 1 298.474 3.818 20 0 CHADMP C[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CCC1 ZINC000716634465 1132029167 /nfs/dbraw/zinc/02/91/67/1132029167.db2.gz BDVIMWUFTWKQQP-LQJIQPLVSA-N 2 1 298.474 3.818 20 0 CHADMP C[C@@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1cncc(F)c1 ZINC001171628935 1132061957 /nfs/dbraw/zinc/06/19/57/1132061957.db2.gz MXNJYLOHNOEJON-GFCCVEGCSA-N 2 1 293.430 3.523 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)nc1 ZINC001171623182 1132066474 /nfs/dbraw/zinc/06/64/74/1132066474.db2.gz NNEBSRGQBXRQFT-CQSZACIVSA-N 2 1 289.467 3.692 20 0 CHADMP C[C@@H]1CCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)[C@H]1C ZINC001171637414 1132082830 /nfs/dbraw/zinc/08/28/30/1132082830.db2.gz MSWMNZKTQJGTNG-KGLIPLIRSA-N 2 1 266.473 3.758 20 0 CHADMP CC[NH+](CC)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976052 1132118062 /nfs/dbraw/zinc/11/80/62/1132118062.db2.gz HUYOFYBKYPPHQT-KRWDZBQOSA-N 2 1 274.452 3.771 20 0 CHADMP CC[NH+](CC)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976052 1132118065 /nfs/dbraw/zinc/11/80/65/1132118065.db2.gz HUYOFYBKYPPHQT-KRWDZBQOSA-N 2 1 274.452 3.771 20 0 CHADMP CC1(C)C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172076744 1132123260 /nfs/dbraw/zinc/12/32/60/1132123260.db2.gz HKPMWMYCVXLKTC-BWTSREIZSA-N 2 1 298.474 3.914 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(Cl)s1)C2 ZINC001172101619 1132123577 /nfs/dbraw/zinc/12/35/77/1132123577.db2.gz GGMLSWMQDUZZEF-CNDDSTCGSA-N 2 1 284.856 3.506 20 0 CHADMP C1=CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172062547 1132124496 /nfs/dbraw/zinc/12/44/96/1132124496.db2.gz PIWLCQAKGKDHKX-ACDBMABISA-N 2 1 296.458 3.880 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccccc1C1CC1)C2 ZINC001172102610 1132127728 /nfs/dbraw/zinc/12/77/28/1132127728.db2.gz NKEZSZVVCALOTA-BCDXTJNWSA-N 2 1 284.447 3.669 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc3ccccc3c1)C2 ZINC001172107851 1132129201 /nfs/dbraw/zinc/12/92/01/1132129201.db2.gz KQJUZRAAKUFPEW-OWZKRDHZSA-N 2 1 294.442 3.945 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(Cc3ccccc3)CC1)C2 ZINC001172109871 1132129515 /nfs/dbraw/zinc/12/95/15/1132129515.db2.gz FVQCXEHVNNIGSV-REPLKXPHSA-N 2 1 298.474 3.614 20 0 CHADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cc(F)ccc1F ZINC001172109514 1132130615 /nfs/dbraw/zinc/13/06/15/1132130615.db2.gz DQJJNFXTSQOUAJ-CYUUQNCZSA-N 2 1 294.389 3.631 20 0 CHADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cc(F)ccc1F ZINC001172109514 1132130623 /nfs/dbraw/zinc/13/06/23/1132130623.db2.gz DQJJNFXTSQOUAJ-CYUUQNCZSA-N 2 1 294.389 3.631 20 0 CHADMP Cc1ccc(C2([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001172107460 1132130901 /nfs/dbraw/zinc/13/09/01/1132130901.db2.gz XVHGHGHWKIBFDP-NNZMDNLPSA-N 2 1 284.447 3.589 20 0 CHADMP Cc1ccc(C2([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001172107460 1132130903 /nfs/dbraw/zinc/13/09/03/1132130903.db2.gz XVHGHGHWKIBFDP-NNZMDNLPSA-N 2 1 284.447 3.589 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCCc3ccccc31)C2 ZINC001172111572 1132132375 /nfs/dbraw/zinc/13/23/75/1132132375.db2.gz VMFKOEZHUPYPTE-OKYOBFRVSA-N 2 1 298.474 3.711 20 0 CHADMP CCCC1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172116886 1132132853 /nfs/dbraw/zinc/13/28/53/1132132853.db2.gz JGLMCEXBJNDJRW-NJZDOBRDSA-N 2 1 278.484 3.950 20 0 CHADMP CCCC1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172116886 1132132856 /nfs/dbraw/zinc/13/28/56/1132132856.db2.gz JGLMCEXBJNDJRW-NJZDOBRDSA-N 2 1 278.484 3.950 20 0 CHADMP CCC[C@H]1CCCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120461 1132133135 /nfs/dbraw/zinc/13/31/35/1132133135.db2.gz FLQOOZCNAIPIEP-MWDXBVQZSA-N 2 1 264.457 3.656 20 0 CHADMP CCC[C@H]1CCCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120461 1132133137 /nfs/dbraw/zinc/13/31/37/1132133137.db2.gz FLQOOZCNAIPIEP-MWDXBVQZSA-N 2 1 264.457 3.656 20 0 CHADMP CCC[C@H]1CCCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172120461 1132133141 /nfs/dbraw/zinc/13/31/41/1132133141.db2.gz FLQOOZCNAIPIEP-MWDXBVQZSA-N 2 1 264.457 3.656 20 0 CHADMP CCC[C@H]1CCCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172120461 1132133142 /nfs/dbraw/zinc/13/31/42/1132133142.db2.gz FLQOOZCNAIPIEP-MWDXBVQZSA-N 2 1 264.457 3.656 20 0 CHADMP CC(C)[N@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172114083 1132133571 /nfs/dbraw/zinc/13/35/71/1132133571.db2.gz PCBWHFBMMWXGHO-REPLKXPHSA-N 2 1 286.463 3.912 20 0 CHADMP CC(C)[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172114083 1132133574 /nfs/dbraw/zinc/13/35/74/1132133574.db2.gz PCBWHFBMMWXGHO-REPLKXPHSA-N 2 1 286.463 3.912 20 0 CHADMP CC(C)[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172114083 1132133579 /nfs/dbraw/zinc/13/35/79/1132133579.db2.gz PCBWHFBMMWXGHO-REPLKXPHSA-N 2 1 286.463 3.912 20 0 CHADMP CC(C)[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172114083 1132133581 /nfs/dbraw/zinc/13/35/81/1132133581.db2.gz PCBWHFBMMWXGHO-REPLKXPHSA-N 2 1 286.463 3.912 20 0 CHADMP Cc1ccc(F)cc1[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172115614 1132133680 /nfs/dbraw/zinc/13/36/80/1132133680.db2.gz TZSARIAFJBTWLV-LLLHUVSDSA-N 2 1 290.426 3.800 20 0 CHADMP Cc1ccc(F)cc1[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172115614 1132133683 /nfs/dbraw/zinc/13/36/83/1132133683.db2.gz TZSARIAFJBTWLV-LLLHUVSDSA-N 2 1 290.426 3.800 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H](Cc3ccccc3)C1)C2 ZINC001172124107 1132136456 /nfs/dbraw/zinc/13/64/56/1132136456.db2.gz JLKYDXKCFFQSBL-ZRNYENFQSA-N 2 1 298.474 3.566 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H](Cc3ccccc3)C1)C2 ZINC001172124107 1132136459 /nfs/dbraw/zinc/13/64/59/1132136459.db2.gz JLKYDXKCFFQSBL-ZRNYENFQSA-N 2 1 298.474 3.566 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@H](Cc3ccccc3)C1)C2 ZINC001172124107 1132136460 /nfs/dbraw/zinc/13/64/60/1132136460.db2.gz JLKYDXKCFFQSBL-ZRNYENFQSA-N 2 1 298.474 3.566 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@H](Cc3ccccc3)C1)C2 ZINC001172124107 1132136462 /nfs/dbraw/zinc/13/64/62/1132136462.db2.gz JLKYDXKCFFQSBL-ZRNYENFQSA-N 2 1 298.474 3.566 20 0 CHADMP C[C@@H]1CC[C@@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H]1C ZINC001172372609 1132167167 /nfs/dbraw/zinc/16/71/67/1132167167.db2.gz YJFOXJNXVGQRFK-PGZVSCLCSA-N 2 1 278.484 3.936 20 0 CHADMP C[C@@H]1CC[C@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H]1C ZINC001172366988 1132192067 /nfs/dbraw/zinc/19/20/67/1132192067.db2.gz FAUZZIQDJZXELA-PEZLKRJXSA-N 2 1 278.484 3.793 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001172367095 1132193191 /nfs/dbraw/zinc/19/31/91/1132193191.db2.gz FIMUSRPDBIQGNQ-WCXIOVBPSA-N 2 1 278.484 3.808 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001172367095 1132193196 /nfs/dbraw/zinc/19/31/96/1132193196.db2.gz FIMUSRPDBIQGNQ-WCXIOVBPSA-N 2 1 278.484 3.808 20 0 CHADMP CC[C@@H](CC(C)C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172383911 1132210335 /nfs/dbraw/zinc/21/03/35/1132210335.db2.gz CLFSFFLWLIPQRC-MOPGFXCFSA-N 2 1 288.479 3.923 20 0 CHADMP CC[C@@H](CC(C)C)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001172393729 1132217601 /nfs/dbraw/zinc/21/76/01/1132217601.db2.gz KSGOJHXUYGYJBT-IRXDYDNUSA-N 2 1 266.473 3.665 20 0 CHADMP CC[C@@H](CC(C)C)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001172393729 1132217605 /nfs/dbraw/zinc/21/76/05/1132217605.db2.gz KSGOJHXUYGYJBT-IRXDYDNUSA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)OCC[C@H](C)[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001172458155 1132240080 /nfs/dbraw/zinc/24/00/80/1132240080.db2.gz ZJHQDFUOZYPKIF-OKZBNKHCSA-N 2 1 296.499 3.529 20 0 CHADMP CC(C)OCC[C@H](C)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001172458155 1132240086 /nfs/dbraw/zinc/24/00/86/1132240086.db2.gz ZJHQDFUOZYPKIF-OKZBNKHCSA-N 2 1 296.499 3.529 20 0 CHADMP CC(C)OCC[C@H](C)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001172458155 1132240090 /nfs/dbraw/zinc/24/00/90/1132240090.db2.gz ZJHQDFUOZYPKIF-OKZBNKHCSA-N 2 1 296.499 3.529 20 0 CHADMP c1[nH+]cn([C@@H]2CC[C@@H](c3ccccc3)C2)c1C1CC[NH2+]CC1 ZINC001172570478 1132273166 /nfs/dbraw/zinc/27/31/66/1132273166.db2.gz XKOQICUDINZOKW-QZTJIDSGSA-N 2 1 295.430 3.859 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172538019 1132275052 /nfs/dbraw/zinc/27/50/52/1132275052.db2.gz LFERNYOUGMEPKN-QRQLOZEOSA-N 2 1 286.463 3.644 20 0 CHADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172541769 1132277447 /nfs/dbraw/zinc/27/74/47/1132277447.db2.gz DRBXPIDCIHHWSM-GUDVDZBRSA-N 2 1 286.463 3.787 20 0 CHADMP CC[C@H]1CC[C@H](C2CCC([NH2+]C3(C[NH3+])CC3)CC2)CC1 ZINC001172587662 1132285824 /nfs/dbraw/zinc/28/58/24/1132285824.db2.gz NHBYAHBWDVGXJR-OJHJNGDYSA-N 2 1 278.484 3.843 20 0 CHADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC001172708477 1132309081 /nfs/dbraw/zinc/30/90/81/1132309081.db2.gz GZASJWKEDMJSFZ-KRWDZBQOSA-N 2 1 294.870 3.519 20 0 CHADMP CCCc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC001142364212 1132375994 /nfs/dbraw/zinc/37/59/94/1132375994.db2.gz KHTCPKOTMQWVBK-UHFFFAOYSA-N 2 1 274.452 3.557 20 0 CHADMP CCCc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC001142364212 1132376002 /nfs/dbraw/zinc/37/60/02/1132376002.db2.gz KHTCPKOTMQWVBK-UHFFFAOYSA-N 2 1 274.452 3.557 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCc3sccc3C2)CC1 ZINC001173109357 1132391986 /nfs/dbraw/zinc/39/19/86/1132391986.db2.gz HFIDKLNDSZASLA-UHFFFAOYSA-N 2 1 292.492 3.759 20 0 CHADMP CC[NH+](CC)C1CCC([N@@H+](C)CCc2ccccc2)CC1 ZINC001173108221 1132392367 /nfs/dbraw/zinc/39/23/67/1132392367.db2.gz GPPRJNFENDHEGC-UHFFFAOYSA-N 2 1 288.479 3.814 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCCCC23CC3)CC1 ZINC001173113179 1132393740 /nfs/dbraw/zinc/39/37/40/1132393740.db2.gz KLBPLOAYJAABLN-UHFFFAOYSA-N 2 1 264.457 3.658 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H](C)[C@@H]2C)CC1 ZINC001173112138 1132394444 /nfs/dbraw/zinc/39/44/44/1132394444.db2.gz QZZZTGQEPPLMII-JUVOFCAFSA-N 2 1 266.473 3.760 20 0 CHADMP CN1CCC[C@@H]2C[N@H+](C3CCC4(CCCCC4)CC3)C[C@@H]21 ZINC001173121541 1132401520 /nfs/dbraw/zinc/40/15/20/1132401520.db2.gz RRHAMAFPCSVODY-AEFFLSMTSA-N 2 1 290.495 3.906 20 0 CHADMP CC(C)[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1ccccc1 ZINC001232010861 1132410116 /nfs/dbraw/zinc/41/01/16/1132410116.db2.gz FLDOGENUKOYWBU-UHFFFAOYSA-N 2 1 279.387 3.974 20 0 CHADMP Fc1ccccc1[C@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232014619 1132411421 /nfs/dbraw/zinc/41/14/21/1132411421.db2.gz SPYYFALYCBRDLC-ZDUSSCGKSA-N 2 1 295.361 3.692 20 0 CHADMP C[C@H]1c2ccccc2CC[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012118 1132411677 /nfs/dbraw/zinc/41/16/77/1132411677.db2.gz STFMHDBIBCZXHG-ZDUSSCGKSA-N 2 1 277.371 3.682 20 0 CHADMP CCc1ccc(C[C@H](C)[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC001173244552 1132417480 /nfs/dbraw/zinc/41/74/80/1132417480.db2.gz XIYKLGISWXICJS-KRWDZBQOSA-N 2 1 288.479 3.598 20 0 CHADMP CC[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001173275543 1132419232 /nfs/dbraw/zinc/41/92/32/1132419232.db2.gz SGWLQPCYNNHIPW-HRCADAONSA-N 2 1 264.457 3.562 20 0 CHADMP CC[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001173275543 1132419233 /nfs/dbraw/zinc/41/92/33/1132419233.db2.gz SGWLQPCYNNHIPW-HRCADAONSA-N 2 1 264.457 3.562 20 0 CHADMP CCCC[C@H](CC(C)C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001173251005 1132421035 /nfs/dbraw/zinc/42/10/35/1132421035.db2.gz XLZDXFOZDUWJTC-DLBZAZTESA-N 2 1 268.489 3.913 20 0 CHADMP CC[C@H]1CCC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232146667 1132427607 /nfs/dbraw/zinc/42/76/07/1132427607.db2.gz XROZRVAECPQCEB-AWEZNQCLSA-N 2 1 278.415 3.509 20 0 CHADMP COc1ccccc1[C@H]1CCC[N@H+]1CCCCCCC[NH3+] ZINC000842471803 1132432698 /nfs/dbraw/zinc/43/26/98/1132432698.db2.gz AYFPWGZDKFGSTH-QGZVFWFLSA-N 2 1 290.451 3.741 20 0 CHADMP C[C@@H]1c2c(F)cccc2CC[N@@H+]1CCCCCCC[NH3+] ZINC000842472680 1132433049 /nfs/dbraw/zinc/43/30/49/1132433049.db2.gz HTNPCJKCCQURDU-CQSZACIVSA-N 2 1 278.415 3.654 20 0 CHADMP C[C@H]1c2c(F)cccc2CC[N@@H+]1CCCCCCC[NH3+] ZINC000842472678 1132433244 /nfs/dbraw/zinc/43/32/44/1132433244.db2.gz HTNPCJKCCQURDU-AWEZNQCLSA-N 2 1 278.415 3.654 20 0 CHADMP COc1ccc([C@@H]2CCC[N@H+]2CCCCCCC[NH3+])cc1 ZINC000842471451 1132433492 /nfs/dbraw/zinc/43/34/92/1132433492.db2.gz BZGFAVOPWXIQEL-SFHVURJKSA-N 2 1 290.451 3.741 20 0 CHADMP CC[C@@H]1CC[C@@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173271019 1132436144 /nfs/dbraw/zinc/43/61/44/1132436144.db2.gz OYIGQRYERLCELU-MWQQHZPXSA-N 2 1 264.457 3.547 20 0 CHADMP CC[C@@H]1CC[C@@H]([N@H+](Cc2ccccc2)C[C@H](C)C[NH3+])C1 ZINC001173272850 1132437974 /nfs/dbraw/zinc/43/79/74/1132437974.db2.gz LNLCIFRWRUKATM-JFIYKMOQSA-N 2 1 274.452 3.662 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1(C)CC1 ZINC000842672813 1132449688 /nfs/dbraw/zinc/44/96/88/1132449688.db2.gz CZECOIVSMLGIES-SJLPKXTDSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1(C)CC1 ZINC000842672813 1132449691 /nfs/dbraw/zinc/44/96/91/1132449691.db2.gz CZECOIVSMLGIES-SJLPKXTDSA-N 2 1 298.474 3.962 20 0 CHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCC3CCC3)CC23CC3)cc1 ZINC000842688167 1132450350 /nfs/dbraw/zinc/45/03/50/1132450350.db2.gz AVJNFPFQCOCTCU-LJQANCHMSA-N 2 1 298.474 3.963 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCC3CCC3)CC23CC3)cc1 ZINC000842688167 1132450355 /nfs/dbraw/zinc/45/03/55/1132450355.db2.gz AVJNFPFQCOCTCU-LJQANCHMSA-N 2 1 298.474 3.963 20 0 CHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCC3CCC3)CC23CC3)cc1 ZINC000842688166 1132450884 /nfs/dbraw/zinc/45/08/84/1132450884.db2.gz AVJNFPFQCOCTCU-IBGZPJMESA-N 2 1 298.474 3.963 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCC3CCC3)CC23CC3)cc1 ZINC000842688166 1132450889 /nfs/dbraw/zinc/45/08/89/1132450889.db2.gz AVJNFPFQCOCTCU-IBGZPJMESA-N 2 1 298.474 3.963 20 0 CHADMP Cc1nc(C[N@H+]2CCc3ccc(Cl)cc3[C@@H](C)C2)c[nH]1 ZINC001232464544 1132474010 /nfs/dbraw/zinc/47/40/10/1132474010.db2.gz GVQQDDOGBSVAAB-NSHDSACASA-N 2 1 289.810 3.533 20 0 CHADMP Cc1ncc(C[N@@H+]2CCc3ccc(Cl)cc3[C@@H](C)C2)[nH]1 ZINC001232464544 1132474012 /nfs/dbraw/zinc/47/40/12/1132474012.db2.gz GVQQDDOGBSVAAB-NSHDSACASA-N 2 1 289.810 3.533 20 0 CHADMP C[C@@H](C[N@@H+](C)C1CCC([NH3+])CC1)c1cccc(Cl)c1 ZINC000843054742 1132495017 /nfs/dbraw/zinc/49/50/17/1132495017.db2.gz FAMBZOUSPNHOBZ-JQRITLKVSA-N 2 1 280.843 3.645 20 0 CHADMP CC(C)[C@@H](C[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000843119685 1132496566 /nfs/dbraw/zinc/49/65/66/1132496566.db2.gz CCNSBKBTXDSOGZ-GOSISDBHSA-N 2 1 286.463 3.502 20 0 CHADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363694 1132522834 /nfs/dbraw/zinc/52/28/34/1132522834.db2.gz KDAORZCSELRYHH-INIZCTEOSA-N 2 1 294.442 3.976 20 0 CHADMP CSc1cccc(Cl)c1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206640483 1132568864 /nfs/dbraw/zinc/56/88/64/1132568864.db2.gz KCNRNLGBMSOVJB-GFCCVEGCSA-N 2 1 298.883 3.623 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1ccc(Cl)o1 ZINC001233317141 1132598933 /nfs/dbraw/zinc/59/89/33/1132598933.db2.gz YICBBWYRFNGCLP-UONOGXRCSA-N 2 1 296.842 3.772 20 0 CHADMP Cc1cc(NC[C@@H]2CCC[NH2+]C[C@H]2C)[nH+]c2ccccc12 ZINC001155026435 1132637037 /nfs/dbraw/zinc/63/70/37/1132637037.db2.gz SZJFLEGQGXQLHS-CABCVRRESA-N 2 1 283.419 3.591 20 0 CHADMP Cc1[nH+]c(NCCC[N@@H+]2CCCC[C@H]2C)cc2[nH]ccc21 ZINC001156927935 1132716189 /nfs/dbraw/zinc/71/61/89/1132716189.db2.gz IKRBALIZOOJDOB-CYBMUJFWSA-N 2 1 286.423 3.548 20 0 CHADMP Cc1cc[nH+]c(Nc2ccc([C@@H]3CCC[NH2+]3)cc2)c1 ZINC001159104703 1132805582 /nfs/dbraw/zinc/80/55/82/1132805582.db2.gz GMRPEWIYPHLIFQ-HNNXBMFYSA-N 2 1 253.349 3.558 20 0 CHADMP CC[NH+](CC)c1ccc(Nc2cccc(CC[NH3+])c2)cc1 ZINC001159672201 1132889707 /nfs/dbraw/zinc/88/97/07/1132889707.db2.gz QKUOGAIGDVDXFF-UHFFFAOYSA-N 2 1 283.419 3.778 20 0 CHADMP Cc1cc[nH+]c(N[C@H](c2cccc(F)c2)C2CC[NH2+]CC2)c1 ZINC001161820197 1133032437 /nfs/dbraw/zinc/03/24/37/1133032437.db2.gz JYYLYOHGGQLFLW-SFHVURJKSA-N 2 1 299.393 3.682 20 0 CHADMP Cc1ccc2cc(NC[C@@H]3CCC[NH2+]C[C@@H]3C)[nH+]cc2c1 ZINC001162453169 1133078931 /nfs/dbraw/zinc/07/89/31/1133078931.db2.gz JCPGMNJCLHFBFC-HOCLYGCPSA-N 2 1 283.419 3.591 20 0 CHADMP Cc1ccc2cc[nH+]c(N3CCC4(CCCC[NH2+]4)CC3)c2c1 ZINC001165247556 1133232162 /nfs/dbraw/zinc/23/21/62/1133232162.db2.gz RZDSFXIOGASNDE-UHFFFAOYSA-N 2 1 295.430 3.656 20 0 CHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCC1CCC1 ZINC001203553429 1133339037 /nfs/dbraw/zinc/33/90/37/1133339037.db2.gz GJIPQVUVMHBJRA-UHFFFAOYSA-N 2 1 288.479 3.924 20 0 CHADMP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1-c1ccccc1 ZINC001204925541 1133501280 /nfs/dbraw/zinc/50/12/80/1133501280.db2.gz UVNXMCWBNUZTHW-SFHVURJKSA-N 2 1 280.415 3.667 20 0 CHADMP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1-c1ccccc1 ZINC001204925541 1133501287 /nfs/dbraw/zinc/50/12/87/1133501287.db2.gz UVNXMCWBNUZTHW-SFHVURJKSA-N 2 1 280.415 3.667 20 0 CHADMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001204947143 1133505926 /nfs/dbraw/zinc/50/59/26/1133505926.db2.gz WAEYIPKZYCNPIC-LJQANCHMSA-N 2 1 298.405 3.806 20 0 CHADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001204947143 1133505931 /nfs/dbraw/zinc/50/59/31/1133505931.db2.gz WAEYIPKZYCNPIC-LJQANCHMSA-N 2 1 298.405 3.806 20 0 CHADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC[C@H](C)CCCC(C)(C)OC)C1 ZINC001205001114 1133514969 /nfs/dbraw/zinc/51/49/69/1133514969.db2.gz OGYZXPMEZMYGLL-SJORKVTESA-N 2 1 298.515 3.539 20 0 CHADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc3c4ccccc4oc32)CC1 ZINC001205102444 1133530255 /nfs/dbraw/zinc/53/02/55/1133530255.db2.gz SGHGPJTYVOXPFC-OAHLLOKOSA-N 2 1 294.398 3.899 20 0 CHADMP [NH3+][C@@H]1CCC[N@@H+](Cc2sc(Cl)c3ccccc32)CC1 ZINC001205130377 1133534516 /nfs/dbraw/zinc/53/45/16/1133534516.db2.gz COTXSDFJVLECAG-LLVKDONJSA-N 2 1 294.851 3.868 20 0 CHADMP CCCCOc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001205266428 1133552943 /nfs/dbraw/zinc/55/29/43/1133552943.db2.gz ULDSVAKNTDBWIB-GOSISDBHSA-N 2 1 290.451 3.569 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CCC[C@](C)([NH3+])CC3)cc2)o1 ZINC001205281797 1133554369 /nfs/dbraw/zinc/55/43/69/1133554369.db2.gz YIMKZTPHYNHYFX-IBGZPJMESA-N 2 1 298.430 3.958 20 0 CHADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(C3CCC3)cc2)CC1 ZINC001205289530 1133554520 /nfs/dbraw/zinc/55/45/20/1133554520.db2.gz YQGQJMHZHODXDY-SFHVURJKSA-N 2 1 272.436 3.657 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205305953 1133558033 /nfs/dbraw/zinc/55/80/33/1133558033.db2.gz USISBSITRAFKHO-RHSMWYFYSA-N 2 1 282.431 3.565 20 0 CHADMP CC(C)c1ccc(CC[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1 ZINC001205538402 1133585896 /nfs/dbraw/zinc/58/58/96/1133585896.db2.gz LPLZCTZCFHBVIU-SFHVURJKSA-N 2 1 292.442 3.505 20 0 CHADMP CC1(C)CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC001205554198 1133587190 /nfs/dbraw/zinc/58/71/90/1133587190.db2.gz BKMCXXPNXSFSQM-WBVHZDCISA-N 2 1 278.484 3.952 20 0 CHADMP CC(C)Cc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1 ZINC001205571579 1133589309 /nfs/dbraw/zinc/58/93/09/1133589309.db2.gz VFIUJYIZQMCGKF-SFHVURJKSA-N 2 1 292.442 3.538 20 0 CHADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2csc3ccccc23)CC1 ZINC001205570943 1133589465 /nfs/dbraw/zinc/58/94/65/1133589465.db2.gz QICQBHVREIRPSQ-MRXNPFEDSA-N 2 1 292.423 3.554 20 0 CHADMP Cc1c(Cl)ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1F ZINC001205651732 1133600365 /nfs/dbraw/zinc/60/03/65/1133600365.db2.gz IREUYLWGJYZCIL-YPMHNXCESA-N 2 1 298.833 3.594 20 0 CHADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)c2ccccc12 ZINC001205903009 1133628092 /nfs/dbraw/zinc/62/80/92/1133628092.db2.gz MSGAWBXZRIQQNL-KGLIPLIRSA-N 2 1 286.394 3.538 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)s1 ZINC001205901008 1133628614 /nfs/dbraw/zinc/62/86/14/1133628614.db2.gz AMGLBUKCEKCVGL-KGLIPLIRSA-N 2 1 280.481 3.650 20 0 CHADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc2c(F)cccc12 ZINC001205914488 1133630461 /nfs/dbraw/zinc/63/04/61/1133630461.db2.gz MMHVVNJVTHOLCH-KBPBESRZSA-N 2 1 286.394 3.538 20 0 CHADMP Cc1c(C[N@@H+]2CCCC[C@H]([NH3+])C2)cccc1-c1ccccc1 ZINC001205939609 1133632610 /nfs/dbraw/zinc/63/26/10/1133632610.db2.gz SLBGCWGCUVEMOY-IBGZPJMESA-N 2 1 294.442 3.975 20 0 CHADMP Cc1c(C[N@H+]2CCCC[C@H]([NH3+])C2)cccc1-c1ccccc1 ZINC001205939609 1133632613 /nfs/dbraw/zinc/63/26/13/1133632613.db2.gz SLBGCWGCUVEMOY-IBGZPJMESA-N 2 1 294.442 3.975 20 0 CHADMP CC1=CC[C@H](CC[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)C1(C)C ZINC001205981437 1133638310 /nfs/dbraw/zinc/63/83/10/1133638310.db2.gz CIVKDZIJJHSMRY-DJIMGWMZSA-N 2 1 278.484 3.676 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2cccc3ccccc32)CCC[C@H]1C[NH3+] ZINC001205992560 1133638719 /nfs/dbraw/zinc/63/87/19/1133638719.db2.gz FHNYUHHJEJTXIR-WBVHZDCISA-N 2 1 282.431 3.647 20 0 CHADMP Cc1ccc(F)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1Cl ZINC001205992091 1133638939 /nfs/dbraw/zinc/63/89/39/1133638939.db2.gz DKHSBJHTCABDMH-QWHCGFSZSA-N 2 1 298.833 3.594 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)o2)CCC[C@@H]1C[NH3+] ZINC001206011597 1133641371 /nfs/dbraw/zinc/64/13/71/1133641371.db2.gz FJLKHRKEFUIYOD-DOTOQJQBSA-N 2 1 298.430 3.753 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC001206056421 1133650256 /nfs/dbraw/zinc/65/02/56/1133650256.db2.gz REDLZZQQZUSKND-QKPAOTATSA-N 2 1 254.462 3.521 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC001206056421 1133650259 /nfs/dbraw/zinc/65/02/59/1133650259.db2.gz REDLZZQQZUSKND-QKPAOTATSA-N 2 1 254.462 3.521 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC001206084902 1133654904 /nfs/dbraw/zinc/65/49/04/1133654904.db2.gz QMKNOEDNWJDZJS-KKUMJFAQSA-N 2 1 254.462 3.521 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC001206084902 1133654907 /nfs/dbraw/zinc/65/49/07/1133654907.db2.gz QMKNOEDNWJDZJS-KKUMJFAQSA-N 2 1 254.462 3.521 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](CC)CCC(F)(F)F ZINC001206127972 1133661415 /nfs/dbraw/zinc/66/14/15/1133661415.db2.gz OJTSCQDGEXYBEI-QWHCGFSZSA-N 2 1 282.394 3.818 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](CC)CCC(F)(F)F ZINC001206127972 1133661417 /nfs/dbraw/zinc/66/14/17/1133661417.db2.gz OJTSCQDGEXYBEI-QWHCGFSZSA-N 2 1 282.394 3.818 20 0 CHADMP CC1(C)CCC[N@@H+]1CC[NH2+]CCC1CCCCCC1 ZINC001206256627 1133677596 /nfs/dbraw/zinc/67/75/96/1133677596.db2.gz YCVSZBWROKMSTF-UHFFFAOYSA-N 2 1 266.473 3.811 20 0 CHADMP CC1(C)CCC[N@H+]1CC[NH2+]CCC1CCCCCC1 ZINC001206256627 1133677599 /nfs/dbraw/zinc/67/75/99/1133677599.db2.gz YCVSZBWROKMSTF-UHFFFAOYSA-N 2 1 266.473 3.811 20 0 CHADMP Cc1csc2sc(C[N@H+]3CCC[NH2+]C[C@@H]3C)c(C)c12 ZINC001206263176 1133678406 /nfs/dbraw/zinc/67/84/06/1133678406.db2.gz PULHPWQDOXVUDY-NSHDSACASA-N 2 1 294.489 3.763 20 0 CHADMP Cc1csc2sc(C[N@@H+]3CCC[NH2+]C[C@@H]3C)c(C)c12 ZINC001206263176 1133678409 /nfs/dbraw/zinc/67/84/09/1133678409.db2.gz PULHPWQDOXVUDY-NSHDSACASA-N 2 1 294.489 3.763 20 0 CHADMP CC1=CC[C@H](CC[N@H+]2CCC[C@](C)(C[NH3+])CC2)C1(C)C ZINC001206297264 1133684866 /nfs/dbraw/zinc/68/48/66/1133684866.db2.gz XAKGJRWYMWWIJZ-AEFFLSMTSA-N 2 1 278.484 3.820 20 0 CHADMP C[C@@H](CC[N@H+]1CCC[C@](C)(C[NH3+])CC1)CC(C)(C)C ZINC001206295874 1133685133 /nfs/dbraw/zinc/68/51/33/1133685133.db2.gz OLGWZKKQSYEFBD-RDJZCZTQSA-N 2 1 268.489 3.900 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206311107 1133688089 /nfs/dbraw/zinc/68/80/89/1133688089.db2.gz IXMRENLQFWQYIH-MRXNPFEDSA-N 2 1 280.843 3.599 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(-c3ccccc3)o2)CC1 ZINC001206318326 1133688922 /nfs/dbraw/zinc/68/89/22/1133688922.db2.gz PLDXVYLUKZVTJM-IBGZPJMESA-N 2 1 298.430 3.898 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(F)c(C3CC3)c2)CC1 ZINC001206327314 1133690090 /nfs/dbraw/zinc/69/00/90/1133690090.db2.gz VJBOZHIPJMESBY-SFHVURJKSA-N 2 1 290.426 3.654 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206334895 1133691874 /nfs/dbraw/zinc/69/18/74/1133691874.db2.gz ALSSUPRSAPSOGS-CVEARBPZSA-N 2 1 270.436 3.522 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206334895 1133691878 /nfs/dbraw/zinc/69/18/78/1133691878.db2.gz ALSSUPRSAPSOGS-CVEARBPZSA-N 2 1 270.436 3.522 20 0 CHADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2csc3ccccc23)C1 ZINC001206555988 1133717122 /nfs/dbraw/zinc/71/71/22/1133717122.db2.gz LQRMYMUHGUQGPA-KRWDZBQOSA-N 2 1 288.460 3.852 20 0 CHADMP Cc1ccc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc1C ZINC001206582104 1133721704 /nfs/dbraw/zinc/72/17/04/1133721704.db2.gz LWBHSDLERWVQGU-SFHVURJKSA-N 2 1 274.452 3.656 20 0 CHADMP CC(C)[N@@H+](CC1(c2ccccc2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC001206580874 1133722046 /nfs/dbraw/zinc/72/20/46/1133722046.db2.gz GIZFGNZAUULMFG-GOSISDBHSA-N 2 1 286.463 3.571 20 0 CHADMP CC(C)[N@@H+](CC1(c2ccccc2)CC1)[C@H]1CCC[NH2+]CC1 ZINC001206580875 1133721972 /nfs/dbraw/zinc/72/19/72/1133721972.db2.gz GIZFGNZAUULMFG-SFHVURJKSA-N 2 1 286.463 3.571 20 0 CHADMP CC(C)[N@@H+](CCCc1cccc(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206584369 1133722207 /nfs/dbraw/zinc/72/22/07/1133722207.db2.gz YSFDVUAFLHNADB-GOSISDBHSA-N 2 1 292.442 3.611 20 0 CHADMP CC/C=C\CCC[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206580497 1133722491 /nfs/dbraw/zinc/72/24/91/1133722491.db2.gz DACYALWUTPIKKF-KJPDOMRESA-N 2 1 252.446 3.585 20 0 CHADMP CC(C)[N@H+](Cc1sccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC001206583797 1133722527 /nfs/dbraw/zinc/72/25/27/1133722527.db2.gz WTRGRVDVQAAAOH-GFCCVEGCSA-N 2 1 286.872 3.754 20 0 CHADMP CC(C)[N@@H+](Cc1sccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC001206583797 1133722530 /nfs/dbraw/zinc/72/25/30/1133722530.db2.gz WTRGRVDVQAAAOH-GFCCVEGCSA-N 2 1 286.872 3.754 20 0 CHADMP CC(C)[N@@H+](CCc1cccc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206583869 1133722537 /nfs/dbraw/zinc/72/25/37/1133722537.db2.gz XIMGHNGNJNHMCV-QGZVFWFLSA-N 2 1 294.870 3.735 20 0 CHADMP CC(C)[N@H+](Cc1ccccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC001206583429 1133722585 /nfs/dbraw/zinc/72/25/85/1133722585.db2.gz UPJNROBAUAKTGZ-HNNXBMFYSA-N 2 1 280.843 3.693 20 0 CHADMP CC(C)[N@@H+](Cc1ccccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC001206583429 1133722587 /nfs/dbraw/zinc/72/25/87/1133722587.db2.gz UPJNROBAUAKTGZ-HNNXBMFYSA-N 2 1 280.843 3.693 20 0 CHADMP C[C@@H](CC[N@H+]1CCCC[C@@H](C[NH3+])C1)CC(C)(C)C ZINC001206606453 1133726315 /nfs/dbraw/zinc/72/63/15/1133726315.db2.gz NOXNNASPNSHQMX-GJZGRUSLSA-N 2 1 254.462 3.510 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206606557 1133726409 /nfs/dbraw/zinc/72/64/09/1133726409.db2.gz PGBZSSLSALYBKQ-MJSXRHKHSA-N 2 1 252.446 3.574 20 0 CHADMP Cc1c(C)c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)ccc1Cl ZINC001206640962 1133730135 /nfs/dbraw/zinc/73/01/35/1133730135.db2.gz QDXVMNBFHAIDGJ-AWEZNQCLSA-N 2 1 280.843 3.518 20 0 CHADMP Cc1c(C)c(C[N@H+]2CCCC[C@H](C[NH3+])C2)ccc1Cl ZINC001206640963 1133730430 /nfs/dbraw/zinc/73/04/30/1133730430.db2.gz QDXVMNBFHAIDGJ-CQSZACIVSA-N 2 1 280.843 3.518 20 0 CHADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1C[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001206761157 1133743171 /nfs/dbraw/zinc/74/31/71/1133743171.db2.gz VDYWENKSBOMRBF-LNCBFAARSA-N 2 1 292.854 3.503 20 0 CHADMP CC/C=C\CCCCC[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206761318 1133743318 /nfs/dbraw/zinc/74/33/18/1133743318.db2.gz WTBZLPRLEXPXDY-UDLYIEAKSA-N 2 1 252.446 3.572 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206770180 1133745303 /nfs/dbraw/zinc/74/53/03/1133745303.db2.gz RWFSEBMDSUIROU-HZPDHXFCSA-N 2 1 282.431 3.707 20 0 CHADMP Cc1c(C)c(C)c(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(C)c1C ZINC001206767949 1133745467 /nfs/dbraw/zinc/74/54/67/1133745467.db2.gz GJJPXAZWUSCUIP-XIKOKIGWSA-N 2 1 288.479 3.788 20 0 CHADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1-c1ccccc1 ZINC001206771855 1133747518 /nfs/dbraw/zinc/74/75/18/1133747518.db2.gz YIQSIXVOFNXSKW-SJORKVTESA-N 2 1 294.442 3.913 20 0 CHADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc(C)c1Cl ZINC001206811394 1133751285 /nfs/dbraw/zinc/75/12/85/1133751285.db2.gz SYHRHDGFYYWNFL-KBPBESRZSA-N 2 1 280.843 3.516 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206811257 1133751636 /nfs/dbraw/zinc/75/16/36/1133751636.db2.gz SOTSDFGEDBCHPZ-ZIAGYGMSSA-N 2 1 280.843 3.516 20 0 CHADMP CCC[N@@H+]1C[C@@H]2C[NH+](CC[C@@H]3CC=C(C)C3(C)C)C[C@@H]2C1 ZINC001207274619 1133784913 /nfs/dbraw/zinc/78/49/13/1133784913.db2.gz DDRNFSHSERVDMF-KSZLIROESA-N 2 1 290.495 3.643 20 0 CHADMP CCC[NH+]1C[C@@H]2C[N@@H+](CC[C@@H]3CC=C(C)C3(C)C)C[C@@H]2C1 ZINC001207274619 1133784916 /nfs/dbraw/zinc/78/49/16/1133784916.db2.gz DDRNFSHSERVDMF-KSZLIROESA-N 2 1 290.495 3.643 20 0 CHADMP CCC[NH+]1C[C@@H]2C[N@H+](CC[C@@H]3CC=C(C)C3(C)C)C[C@@H]2C1 ZINC001207274619 1133784920 /nfs/dbraw/zinc/78/49/20/1133784920.db2.gz DDRNFSHSERVDMF-KSZLIROESA-N 2 1 290.495 3.643 20 0 CHADMP CC[N@H+](Cc1ccc(Cl)cc1)CC(C)(C)C[NH+](C)C ZINC001207283255 1133787710 /nfs/dbraw/zinc/78/77/10/1133787710.db2.gz WEQZODJGVRARRH-UHFFFAOYSA-N 2 1 282.859 3.750 20 0 CHADMP CC[N@@H+](Cc1ccc(Cl)cc1)CC(C)(C)C[NH+](C)C ZINC001207283255 1133787715 /nfs/dbraw/zinc/78/77/15/1133787715.db2.gz WEQZODJGVRARRH-UHFFFAOYSA-N 2 1 282.859 3.750 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccc2ccccc2c1 ZINC001207288464 1133788468 /nfs/dbraw/zinc/78/84/68/1133788468.db2.gz PLVJYLGJLXILLF-UHFFFAOYSA-N 2 1 284.447 3.859 20 0 CHADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2c2ccc(Cl)s2)CC1 ZINC001207398638 1133797990 /nfs/dbraw/zinc/79/79/90/1133797990.db2.gz FEWTVRKYQSYKIZ-ZDUSSCGKSA-N 2 1 298.883 3.880 20 0 CHADMP C[N@H+](CCc1ccc(Cl)cc1)CCC1CC[NH+](C)CC1 ZINC001207483736 1133805665 /nfs/dbraw/zinc/80/56/65/1133805665.db2.gz HRKFAYDQTRBFHE-UHFFFAOYSA-N 2 1 294.870 3.546 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+](C)CCC1CC[NH+](C)CC1 ZINC001207486994 1133806429 /nfs/dbraw/zinc/80/64/29/1133806429.db2.gz PSVIHTMJBODUHE-GOSISDBHSA-N 2 1 274.452 3.801 20 0 CHADMP C[NH+]1CCC(CC[N@H+]2CCC[C@H]2c2ccccc2)CC1 ZINC001207484354 1133806820 /nfs/dbraw/zinc/80/68/20/1133806820.db2.gz JLYYHZXKPSRKDS-SFHVURJKSA-N 2 1 272.436 3.555 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2C)CC1 ZINC000088683793 1133874778 /nfs/dbraw/zinc/87/47/78/1133874778.db2.gz KMALQEPCQQOWJA-VQIMIIECSA-N 2 1 286.463 3.738 20 0 CHADMP Cc1cccc([C@@H]2CCC[N@@H+]2CC2(C)CC[NH+](C)CC2)c1 ZINC001208105781 1133877148 /nfs/dbraw/zinc/87/71/48/1133877148.db2.gz BRFBCIDVWUZDMP-SFHVURJKSA-N 2 1 286.463 3.864 20 0 CHADMP C[N@@H+](Cc1cccc(Cl)c1)CC1(C)CC[NH+](C)CC1 ZINC001208106046 1133877201 /nfs/dbraw/zinc/87/72/01/1133877201.db2.gz FEFFOZXXTYBFPN-UHFFFAOYSA-N 2 1 280.843 3.504 20 0 CHADMP C[N@@H+](CCc1ccccc1Cl)CC1(C)CC[NH+](C)CC1 ZINC001208114446 1133878565 /nfs/dbraw/zinc/87/85/65/1133878565.db2.gz XHKRVAPBFKZKRC-UHFFFAOYSA-N 2 1 294.870 3.546 20 0 CHADMP CC/C=C\CCCCC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001208190571 1133902967 /nfs/dbraw/zinc/90/29/67/1133902967.db2.gz JUWYEIOJMHEACH-WAYWQWQTSA-N 2 1 266.473 3.787 20 0 CHADMP Cc1cc(C)cc([C@@H]2CCC[NH+]2C[C@H]2CCC[N@@H+](C)C2)c1 ZINC001208615246 1133918470 /nfs/dbraw/zinc/91/84/70/1133918470.db2.gz HNRUQPWXYYWMPR-HKUYNNGSSA-N 2 1 286.463 3.782 20 0 CHADMP Cc1cc(C)cc([C@@H]2CCC[NH+]2C[C@H]2CCC[N@H+](C)C2)c1 ZINC001208615246 1133918475 /nfs/dbraw/zinc/91/84/75/1133918475.db2.gz HNRUQPWXYYWMPR-HKUYNNGSSA-N 2 1 286.463 3.782 20 0 CHADMP Cc1cc(C)cc([C@@H]2CCC[N@H+]2C[C@H]2CCC[NH+](C)C2)c1 ZINC001208615246 1133918480 /nfs/dbraw/zinc/91/84/80/1133918480.db2.gz HNRUQPWXYYWMPR-HKUYNNGSSA-N 2 1 286.463 3.782 20 0 CHADMP Cc1cc(C)cc([C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH+](C)C2)c1 ZINC001208615246 1133918483 /nfs/dbraw/zinc/91/84/83/1133918483.db2.gz HNRUQPWXYYWMPR-HKUYNNGSSA-N 2 1 286.463 3.782 20 0 CHADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H]2c2cccc(C)c2)CC1 ZINC001208594840 1133919311 /nfs/dbraw/zinc/91/93/11/1133919311.db2.gz OMPFNWVGXFHGQZ-IBGZPJMESA-N 2 1 286.463 3.864 20 0 CHADMP CC1(C)CC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208934707 1133964989 /nfs/dbraw/zinc/96/49/89/1133964989.db2.gz FYCFXPCEBHBXDL-GOSISDBHSA-N 2 1 286.463 3.631 20 0 CHADMP CC1(C)CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208934707 1133964992 /nfs/dbraw/zinc/96/49/92/1133964992.db2.gz FYCFXPCEBHBXDL-GOSISDBHSA-N 2 1 286.463 3.631 20 0 CHADMP CC1(C)CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208934707 1133964997 /nfs/dbraw/zinc/96/49/97/1133964997.db2.gz FYCFXPCEBHBXDL-GOSISDBHSA-N 2 1 286.463 3.631 20 0 CHADMP CC[C@@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208954553 1133965786 /nfs/dbraw/zinc/96/57/86/1133965786.db2.gz WJFJQENMVXGQHL-IEBWSBKVSA-N 2 1 286.463 3.631 20 0 CHADMP CC[C@@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208954553 1133965791 /nfs/dbraw/zinc/96/57/91/1133965791.db2.gz WJFJQENMVXGQHL-IEBWSBKVSA-N 2 1 286.463 3.631 20 0 CHADMP CC[C@@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208954553 1133965796 /nfs/dbraw/zinc/96/57/96/1133965796.db2.gz WJFJQENMVXGQHL-IEBWSBKVSA-N 2 1 286.463 3.631 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3C[C@@H]4CCCC[C@@H]4C3)C2)cc1 ZINC001208943823 1133966292 /nfs/dbraw/zinc/96/62/92/1133966292.db2.gz VKWPKXKPEJBACJ-SLFFLAALSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3C[C@@H]4CCCC[C@@H]4C3)C2)cc1 ZINC001208943823 1133966297 /nfs/dbraw/zinc/96/62/97/1133966297.db2.gz VKWPKXKPEJBACJ-SLFFLAALSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3C[C@@H]4CCCC[C@@H]4C3)C2)cc1 ZINC001208943823 1133966300 /nfs/dbraw/zinc/96/63/00/1133966300.db2.gz VKWPKXKPEJBACJ-SLFFLAALSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC4(CCC4)C3)C2)cc1 ZINC001208940675 1133966412 /nfs/dbraw/zinc/96/64/12/1133966412.db2.gz VGPQOZZFGFYKEA-IBGZPJMESA-N 2 1 298.474 3.775 20 0 CHADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCC4(CCC4)C3)C2)cc1 ZINC001208940675 1133966422 /nfs/dbraw/zinc/96/64/22/1133966422.db2.gz VGPQOZZFGFYKEA-IBGZPJMESA-N 2 1 298.474 3.775 20 0 CHADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCC4(CCC4)C3)C2)cc1 ZINC001208940675 1133966427 /nfs/dbraw/zinc/96/64/27/1133966427.db2.gz VGPQOZZFGFYKEA-IBGZPJMESA-N 2 1 298.474 3.775 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCCCC3)C2)cc1 ZINC001208950572 1133966523 /nfs/dbraw/zinc/96/65/23/1133966523.db2.gz UOCXQISZVCTGJV-LJQANCHMSA-N 2 1 286.463 3.775 20 0 CHADMP C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208947489 1133967684 /nfs/dbraw/zinc/96/76/84/1133967684.db2.gz KVPLJBBVJPKEKS-LMMKCTJWSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208947489 1133967689 /nfs/dbraw/zinc/96/76/89/1133967689.db2.gz KVPLJBBVJPKEKS-LMMKCTJWSA-N 2 1 286.463 3.771 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCC4(CCCC4)C3)C2)cc1 ZINC001208951118 1133968108 /nfs/dbraw/zinc/96/81/08/1133968108.db2.gz YVVYRRKBAFLHCZ-LJQANCHMSA-N 2 1 298.474 3.775 20 0 CHADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CCC4(CCCC4)C3)C2)cc1 ZINC001208951118 1133968112 /nfs/dbraw/zinc/96/81/12/1133968112.db2.gz YVVYRRKBAFLHCZ-LJQANCHMSA-N 2 1 298.474 3.775 20 0 CHADMP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CCC4(CCCC4)C3)C2)cc1 ZINC001208951118 1133968117 /nfs/dbraw/zinc/96/81/17/1133968117.db2.gz YVVYRRKBAFLHCZ-LJQANCHMSA-N 2 1 298.474 3.775 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC4(CCC4)C3)C2)cc1 ZINC001208951820 1133968302 /nfs/dbraw/zinc/96/83/02/1133968302.db2.gz BQNKXSPVVRACQX-LJQANCHMSA-N 2 1 298.474 3.775 20 0 CHADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CCCC4(CCC4)C3)C2)cc1 ZINC001208951820 1133968304 /nfs/dbraw/zinc/96/83/04/1133968304.db2.gz BQNKXSPVVRACQX-LJQANCHMSA-N 2 1 298.474 3.775 20 0 CHADMP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CCCC4(CCC4)C3)C2)cc1 ZINC001208951820 1133968306 /nfs/dbraw/zinc/96/83/06/1133968306.db2.gz BQNKXSPVVRACQX-LJQANCHMSA-N 2 1 298.474 3.775 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1CCc1cccs1 ZINC001209227102 1133990839 /nfs/dbraw/zinc/99/08/39/1133990839.db2.gz JAVFVTDFBAFHNK-HOTGVXAUSA-N 2 1 292.492 3.629 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CCc1cccs1 ZINC001209227102 1133990846 /nfs/dbraw/zinc/99/08/46/1133990846.db2.gz JAVFVTDFBAFHNK-HOTGVXAUSA-N 2 1 292.492 3.629 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CCc1cccs1 ZINC001209227102 1133990852 /nfs/dbraw/zinc/99/08/52/1133990852.db2.gz JAVFVTDFBAFHNK-HOTGVXAUSA-N 2 1 292.492 3.629 20 0 CHADMP CC[N@@H+](CCCCCc1ccccc1)CCn1ccnc1 ZINC001209234553 1133994246 /nfs/dbraw/zinc/99/42/46/1133994246.db2.gz ICMVFPKYLXDALT-UHFFFAOYSA-N 2 1 285.435 3.618 20 0 CHADMP Nc1cc[nH+]cc1C[N@H+](Cc1ccccc1)C1CCCCC1 ZINC001209729603 1134056074 /nfs/dbraw/zinc/05/60/74/1134056074.db2.gz PFDVCFGHXIATLE-UHFFFAOYSA-N 2 1 295.430 3.829 20 0 CHADMP Nc1cc[nH+]cc1C[N@@H+](Cc1ccccc1)C1CCCCC1 ZINC001209729603 1134056078 /nfs/dbraw/zinc/05/60/78/1134056078.db2.gz PFDVCFGHXIATLE-UHFFFAOYSA-N 2 1 295.430 3.829 20 0 CHADMP C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(F)cc3)cc2)CC[NH2+]1 ZINC001210475452 1134224336 /nfs/dbraw/zinc/22/43/36/1134224336.db2.gz NRUUGKPMVICEPX-OAHLLOKOSA-N 2 1 298.405 3.677 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)CC[NH2+]1 ZINC001210475452 1134224342 /nfs/dbraw/zinc/22/43/42/1134224342.db2.gz NRUUGKPMVICEPX-OAHLLOKOSA-N 2 1 298.405 3.677 20 0 CHADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000311649053 1135130338 /nfs/dbraw/zinc/13/03/38/1135130338.db2.gz DOAJOQJUNQGHQK-LTIDMASMSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000311649053 1135130336 /nfs/dbraw/zinc/13/03/36/1135130336.db2.gz DOAJOQJUNQGHQK-LTIDMASMSA-N 2 1 266.473 3.664 20 0 CHADMP CCCCc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)s1 ZINC001222147807 1135199358 /nfs/dbraw/zinc/19/93/58/1135199358.db2.gz BAZZPJWRYPAGNC-KRWDZBQOSA-N 2 1 292.492 3.666 20 0 CHADMP Fc1cccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222161635 1135203554 /nfs/dbraw/zinc/20/35/54/1135203554.db2.gz QJAMZOAOXYLZFR-SFHVURJKSA-N 2 1 290.426 3.572 20 0 CHADMP c1ccc2cc(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)ccc2c1 ZINC001222237704 1135212119 /nfs/dbraw/zinc/21/21/19/1135212119.db2.gz QKBNWQRVKVAROY-IBGZPJMESA-N 2 1 280.415 3.558 20 0 CHADMP c1ccc2cc(C[N@H+]3CCC[C@]34CCC[NH2+]C4)ccc2c1 ZINC001222237704 1135212123 /nfs/dbraw/zinc/21/21/23/1135212123.db2.gz QKBNWQRVKVAROY-IBGZPJMESA-N 2 1 280.415 3.558 20 0 CHADMP c1ccc(CCCCC[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222237373 1135212364 /nfs/dbraw/zinc/21/23/64/1135212364.db2.gz HFXAPTURTQILEI-LJQANCHMSA-N 2 1 286.463 3.617 20 0 CHADMP Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222264688 1135215599 /nfs/dbraw/zinc/21/55/99/1135215599.db2.gz FXHTZUAOMBMDMF-QGZVFWFLSA-N 2 1 292.854 3.614 20 0 CHADMP Cc1cccc(Cl)c1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222264688 1135215605 /nfs/dbraw/zinc/21/56/05/1135215605.db2.gz FXHTZUAOMBMDMF-QGZVFWFLSA-N 2 1 292.854 3.614 20 0 CHADMP CSc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc1 ZINC001222307727 1135221979 /nfs/dbraw/zinc/22/19/79/1135221979.db2.gz ARXYWOIOSGKNED-KRWDZBQOSA-N 2 1 290.476 3.517 20 0 CHADMP C(CC1CCCCC1)C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222310266 1135222568 /nfs/dbraw/zinc/22/25/68/1135222568.db2.gz SOVSPFMNCXIXMD-SFHVURJKSA-N 2 1 278.484 3.955 20 0 CHADMP Fc1c(Cl)cccc1C[N@@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222314824 1135224427 /nfs/dbraw/zinc/22/44/27/1135224427.db2.gz IXIRBKLFEUNKLU-INIZCTEOSA-N 2 1 296.817 3.587 20 0 CHADMP Fc1c(Cl)cccc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222314824 1135224432 /nfs/dbraw/zinc/22/44/32/1135224432.db2.gz IXIRBKLFEUNKLU-INIZCTEOSA-N 2 1 296.817 3.587 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)ccc1Cl ZINC001222315496 1135224586 /nfs/dbraw/zinc/22/45/86/1135224586.db2.gz NVFLROOSHXJXQI-QGZVFWFLSA-N 2 1 292.854 3.757 20 0 CHADMP c1ccc(C2CC2)c(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222315343 1135224650 /nfs/dbraw/zinc/22/46/50/1135224650.db2.gz NAYQQRCFIXYSEN-LJQANCHMSA-N 2 1 284.447 3.672 20 0 CHADMP c1ccc2c(c1)cccc2C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222347143 1135229873 /nfs/dbraw/zinc/22/98/73/1135229873.db2.gz XPSARIZFSVNIJP-IBGZPJMESA-N 2 1 280.415 3.558 20 0 CHADMP c1ccc2c(c1)cccc2C[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222347143 1135229878 /nfs/dbraw/zinc/22/98/78/1135229878.db2.gz XPSARIZFSVNIJP-IBGZPJMESA-N 2 1 280.415 3.558 20 0 CHADMP C[C@@H](CC[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1)CC(C)(C)C ZINC001222345028 1135230088 /nfs/dbraw/zinc/23/00/88/1135230088.db2.gz GYKLXPBVAOPLLQ-DOTOQJQBSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@@H](CC[N@H+]1CCC[C@]2(CCC[NH2+]2)C1)CC(C)(C)C ZINC001222345028 1135230092 /nfs/dbraw/zinc/23/00/92/1135230092.db2.gz GYKLXPBVAOPLLQ-DOTOQJQBSA-N 2 1 266.473 3.667 20 0 CHADMP c1ccc(-c2ccc(C[N@H+]3CC[C@H]4C[NH2+]CC[C@H]43)cc2)cc1 ZINC001222620339 1135256440 /nfs/dbraw/zinc/25/64/40/1135256440.db2.gz NPGRESRHUXLWSK-VQTJNVASSA-N 2 1 292.426 3.537 20 0 CHADMP C(CC1CCCCC1)C[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001226783030 1135741640 /nfs/dbraw/zinc/74/16/40/1135741640.db2.gz CPSYRJVJDDLVQV-UHFFFAOYSA-N 2 1 264.457 3.565 20 0 CHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(Cl)cc1 ZINC000096971775 185144215 /nfs/dbraw/zinc/14/42/15/185144215.db2.gz QZCOKDWGUYADAE-MRXNPFEDSA-N 2 1 280.843 3.646 20 0 CHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(Cl)cc1 ZINC000096971775 185144217 /nfs/dbraw/zinc/14/42/17/185144217.db2.gz QZCOKDWGUYADAE-MRXNPFEDSA-N 2 1 280.843 3.646 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(Cl)cc1 ZINC000096971775 185144219 /nfs/dbraw/zinc/14/42/19/185144219.db2.gz QZCOKDWGUYADAE-MRXNPFEDSA-N 2 1 280.843 3.646 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(Cl)cc1 ZINC000096971775 185144221 /nfs/dbraw/zinc/14/42/21/185144221.db2.gz QZCOKDWGUYADAE-MRXNPFEDSA-N 2 1 280.843 3.646 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)[C@@H]2CCC[C@H]21 ZINC000353688042 529806656 /nfs/dbraw/zinc/80/66/56/529806656.db2.gz NVAQHLLNIYEDMM-GBESFXJTSA-N 2 1 284.447 3.526 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3sccc32)[C@@H]2CCC[C@@H]21 ZINC000353668106 529807016 /nfs/dbraw/zinc/80/70/16/529807016.db2.gz FTDGOSHKNZVOQN-UKMLZYKCSA-N 2 1 290.476 3.588 20 0 CHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1(C)CC1 ZINC000344702119 529999522 /nfs/dbraw/zinc/99/95/22/529999522.db2.gz RVODJJKHXGICQG-UHFFFAOYSA-N 2 1 274.452 3.534 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000311426217 260247544 /nfs/dbraw/zinc/24/75/44/260247544.db2.gz BPWGYRQDKCCFOB-YCPHGPKFSA-N 2 1 266.473 3.521 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000574220674 335002287 /nfs/dbraw/zinc/00/22/87/335002287.db2.gz IXTHAAQJXJPVJL-IAGOWNOFSA-N 2 1 266.473 3.690 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(C)cc1C ZINC000574557246 335029481 /nfs/dbraw/zinc/02/94/81/335029481.db2.gz LPZIWEPQTBJWJY-UHFFFAOYSA-N 2 1 299.462 3.975 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(C)cc1C ZINC000574557246 335029482 /nfs/dbraw/zinc/02/94/82/335029482.db2.gz LPZIWEPQTBJWJY-UHFFFAOYSA-N 2 1 299.462 3.975 20 0 CHADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(Cl)c(Cl)c1 ZINC000342095297 130256464 /nfs/dbraw/zinc/25/64/64/130256464.db2.gz FWOBNKGCOLLVCX-VIFPVBQESA-N 2 1 273.207 3.525 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000020126038 171009549 /nfs/dbraw/zinc/00/95/49/171009549.db2.gz FGHRSANYYMAFJE-SNVBAGLBSA-N 2 1 287.234 3.738 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000020143321 171029311 /nfs/dbraw/zinc/02/93/11/171029311.db2.gz ZWKHATKCXZIOSU-LBPRGKRZSA-N 2 1 264.413 3.548 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)ccc2OC)CC1 ZINC000020189889 171056761 /nfs/dbraw/zinc/05/67/61/171056761.db2.gz PTPJJJNLPNMKGF-HNNXBMFYSA-N 2 1 290.451 3.529 20 0 CHADMP Cc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000021023255 171290879 /nfs/dbraw/zinc/29/08/79/171290879.db2.gz QETQFCSCPFIANV-KRWDZBQOSA-N 2 1 274.452 3.658 20 0 CHADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1F)C[NH+]1CCCCC1 ZINC000038041692 174043540 /nfs/dbraw/zinc/04/35/40/174043540.db2.gz UEYVUYCZDJJMRY-KBPBESRZSA-N 2 1 296.405 3.737 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000038097991 174112653 /nfs/dbraw/zinc/11/26/53/174112653.db2.gz UGHKVYQLPCPNLM-LLVKDONJSA-N 2 1 284.806 3.614 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]CCCC1CCCCC1 ZINC000347897981 226384162 /nfs/dbraw/zinc/38/41/62/226384162.db2.gz GXHKVMGOIOWGHZ-UHFFFAOYSA-N 2 1 263.429 3.532 20 0 CHADMP Cc1ccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)cc1 ZINC000037318601 260086673 /nfs/dbraw/zinc/08/66/73/260086673.db2.gz HJURPHUAIVLHQA-IBGZPJMESA-N 2 1 284.447 3.663 20 0 CHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]CC(C)(C)C)C1 ZINC000521378529 260091691 /nfs/dbraw/zinc/09/16/91/260091691.db2.gz OSJCGFUNKMFJTI-CQSZACIVSA-N 2 1 254.462 3.523 20 0 CHADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]CC(C)(C)C)C1 ZINC000521378529 260091693 /nfs/dbraw/zinc/09/16/93/260091693.db2.gz OSJCGFUNKMFJTI-CQSZACIVSA-N 2 1 254.462 3.523 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000037649142 260115099 /nfs/dbraw/zinc/11/50/99/260115099.db2.gz MBWCJTLJAHBZCI-CXAGYDPISA-N 2 1 292.854 3.865 20 0 CHADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000312577287 260156344 /nfs/dbraw/zinc/15/63/44/260156344.db2.gz VPFSQDDYNLNZRF-GXTWGEPZSA-N 2 1 274.408 3.590 20 0 CHADMP CCC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCCC1 ZINC000313388223 260290260 /nfs/dbraw/zinc/29/02/60/260290260.db2.gz IRENONHIWUQANA-FBVQUNGASA-N 2 1 278.484 3.950 20 0 CHADMP CCC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCCC1 ZINC000313388223 260290262 /nfs/dbraw/zinc/29/02/62/260290262.db2.gz IRENONHIWUQANA-FBVQUNGASA-N 2 1 278.484 3.950 20 0 CHADMP c1ccc2c(c1)CCC[C@@H]2[N@@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000094021432 260342929 /nfs/dbraw/zinc/34/29/29/260342929.db2.gz OFWUPNXTYNBLDX-IBGZPJMESA-N 2 1 284.447 3.528 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCc2ccccc2C)C1 ZINC000084678261 260366292 /nfs/dbraw/zinc/36/62/92/260366292.db2.gz GENMNVRKYRKWNI-SFHVURJKSA-N 2 1 288.479 3.591 20 0 CHADMP Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cs1 ZINC000449047088 261126092 /nfs/dbraw/zinc/12/60/92/261126092.db2.gz MVHHGDHDJXBHJR-RDJZCZTQSA-N 2 1 290.476 3.505 20 0 CHADMP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cs1 ZINC000449047088 261126094 /nfs/dbraw/zinc/12/60/94/261126094.db2.gz MVHHGDHDJXBHJR-RDJZCZTQSA-N 2 1 290.476 3.505 20 0 CHADMP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cs1 ZINC000449047088 261126095 /nfs/dbraw/zinc/12/60/95/261126095.db2.gz MVHHGDHDJXBHJR-RDJZCZTQSA-N 2 1 290.476 3.505 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccccn1 ZINC000158630708 261168105 /nfs/dbraw/zinc/16/81/05/261168105.db2.gz KNAPUBBLVGGHSG-MRXNPFEDSA-N 2 1 297.446 3.773 20 0 CHADMP Clc1cc(Cl)cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000108098010 261384761 /nfs/dbraw/zinc/38/47/61/261384761.db2.gz QOWAVWQDHLBWKK-LSDHHAIUSA-N 2 1 299.245 3.710 20 0 CHADMP Clc1cc(Cl)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000108098010 261384764 /nfs/dbraw/zinc/38/47/64/261384764.db2.gz QOWAVWQDHLBWKK-LSDHHAIUSA-N 2 1 299.245 3.710 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C(F)F)cc2)CC[N@@H+]1C ZINC000183955149 262001635 /nfs/dbraw/zinc/00/16/35/262001635.db2.gz KXSXVXCKJXKPHT-IUODEOHRSA-N 2 1 282.378 3.539 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C(F)F)cc2)CC[N@H+]1C ZINC000183955149 262001636 /nfs/dbraw/zinc/00/16/36/262001636.db2.gz KXSXVXCKJXKPHT-IUODEOHRSA-N 2 1 282.378 3.539 20 0 CHADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C(F)F)cc2)CC[NH+]1C ZINC000183955149 262001637 /nfs/dbraw/zinc/00/16/37/262001637.db2.gz KXSXVXCKJXKPHT-IUODEOHRSA-N 2 1 282.378 3.539 20 0 CHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C(F)F)cc2)CC[NH+]1C ZINC000183955149 262001638 /nfs/dbraw/zinc/00/16/38/262001638.db2.gz KXSXVXCKJXKPHT-IUODEOHRSA-N 2 1 282.378 3.539 20 0 CHADMP COc1ccsc1[C@@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000186101257 262080079 /nfs/dbraw/zinc/08/00/79/262080079.db2.gz GHOSUQYKVGANSZ-CYBMUJFWSA-N 2 1 296.480 3.528 20 0 CHADMP Cc1cc2c(cc1C)[C@@H]([NH2+]C1CC[NH+](C)CC1)CCS2 ZINC000186946985 262117323 /nfs/dbraw/zinc/11/73/23/262117323.db2.gz IWYACZKLVWNWLW-INIZCTEOSA-N 2 1 290.476 3.524 20 0 CHADMP c1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cs1 ZINC000093016866 262150913 /nfs/dbraw/zinc/15/09/13/262150913.db2.gz FIIDKMUKBZZZNO-MRXNPFEDSA-N 2 1 292.492 3.836 20 0 CHADMP c1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cs1 ZINC000093016866 262150915 /nfs/dbraw/zinc/15/09/15/262150915.db2.gz FIIDKMUKBZZZNO-MRXNPFEDSA-N 2 1 292.492 3.836 20 0 CHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cccc(F)c1 ZINC000019913169 262206219 /nfs/dbraw/zinc/20/62/19/262206219.db2.gz NNXBPODNPURKBV-CABCVRRESA-N 2 1 278.415 3.741 20 0 CHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cccc(F)c1 ZINC000019913169 262206221 /nfs/dbraw/zinc/20/62/21/262206221.db2.gz NNXBPODNPURKBV-CABCVRRESA-N 2 1 278.415 3.741 20 0 CHADMP CC[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390693574 262241556 /nfs/dbraw/zinc/24/15/56/262241556.db2.gz BLGVYLQATAAZRS-WBVHZDCISA-N 2 1 274.452 3.675 20 0 CHADMP CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390693574 262241558 /nfs/dbraw/zinc/24/15/58/262241558.db2.gz BLGVYLQATAAZRS-WBVHZDCISA-N 2 1 274.452 3.675 20 0 CHADMP CC[N@H+](Cc1ccccc1Cl)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414668652 263026399 /nfs/dbraw/zinc/02/63/99/263026399.db2.gz AMMVPPIAIXSFRL-KBPBESRZSA-N 2 1 280.843 3.550 20 0 CHADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)CC[NH2+]1 ZINC000414677816 263031194 /nfs/dbraw/zinc/03/11/94/263031194.db2.gz PKSCOQLNBFEZBU-KEYYUXOJSA-N 2 1 292.854 3.865 20 0 CHADMP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000276908755 263038505 /nfs/dbraw/zinc/03/85/05/263038505.db2.gz IVWRDYQHOCHBIQ-UHFFFAOYSA-N 2 1 295.430 3.705 20 0 CHADMP Cc1ccc(-c2ccc(C[NH2+][C@@H](C[NH3+])C3CC3)s2)cc1 ZINC000414792035 263049029 /nfs/dbraw/zinc/04/90/29/263049029.db2.gz BVYVQBMBKFKUBE-INIZCTEOSA-N 2 1 286.444 3.550 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(C(F)F)c2)CC[N@@H+]1C ZINC000279685683 263056701 /nfs/dbraw/zinc/05/67/01/263056701.db2.gz HHVSMHAOVXIOEN-IUODEOHRSA-N 2 1 282.378 3.539 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(C(F)F)c2)CC[N@H+]1C ZINC000279685683 263056702 /nfs/dbraw/zinc/05/67/02/263056702.db2.gz HHVSMHAOVXIOEN-IUODEOHRSA-N 2 1 282.378 3.539 20 0 CHADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(C(F)F)c2)CC[NH+]1C ZINC000279685683 263056703 /nfs/dbraw/zinc/05/67/03/263056703.db2.gz HHVSMHAOVXIOEN-IUODEOHRSA-N 2 1 282.378 3.539 20 0 CHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(C(F)F)c2)CC[NH+]1C ZINC000279685683 263056704 /nfs/dbraw/zinc/05/67/04/263056704.db2.gz HHVSMHAOVXIOEN-IUODEOHRSA-N 2 1 282.378 3.539 20 0 CHADMP [NH3+]C[C@@H]([NH2+]Cc1csc2ccccc12)C1CCCC1 ZINC000415061392 263258924 /nfs/dbraw/zinc/25/89/24/263258924.db2.gz COQMVGLVGVRBRM-OAHLLOKOSA-N 2 1 274.433 3.508 20 0 CHADMP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1)C1CCCC1 ZINC000415070769 263261196 /nfs/dbraw/zinc/26/11/96/263261196.db2.gz VNGZZVWREACDIE-QRQLOZEOSA-N 2 1 286.463 3.505 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)CCC(C)(C)C ZINC000342697736 263465732 /nfs/dbraw/zinc/46/57/32/263465732.db2.gz FRMNGTPAXADVKG-AWEZNQCLSA-N 2 1 265.445 3.776 20 0 CHADMP Cc1ccc2cc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)oc2c1 ZINC000425958311 264226614 /nfs/dbraw/zinc/22/66/14/264226614.db2.gz MLQKGBKIBIQABS-UONOGXRCSA-N 2 1 274.408 3.732 20 0 CHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)cc1C ZINC000468398172 264345944 /nfs/dbraw/zinc/34/59/44/264345944.db2.gz VPFPBFMOFXFVEV-SJORKVTESA-N 2 1 292.854 3.707 20 0 CHADMP CC1(C)CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000094303074 265232455 /nfs/dbraw/zinc/23/24/55/265232455.db2.gz IYZCSSVBSFCSFG-SFHVURJKSA-N 2 1 286.463 3.819 20 0 CHADMP CC[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc(C)ccc1OC ZINC000357802961 266367697 /nfs/dbraw/zinc/36/76/97/266367697.db2.gz ZKJFWYKPSCUEHD-INMHGKMJSA-N 2 1 290.451 3.527 20 0 CHADMP CC[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(C)ccc1OC ZINC000357802961 266367700 /nfs/dbraw/zinc/36/77/00/266367700.db2.gz ZKJFWYKPSCUEHD-INMHGKMJSA-N 2 1 290.451 3.527 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc(C)ccc1OC ZINC000357802961 266367704 /nfs/dbraw/zinc/36/77/04/266367704.db2.gz ZKJFWYKPSCUEHD-INMHGKMJSA-N 2 1 290.451 3.527 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(C)ccc1OC ZINC000357802961 266367706 /nfs/dbraw/zinc/36/77/06/266367706.db2.gz ZKJFWYKPSCUEHD-INMHGKMJSA-N 2 1 290.451 3.527 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CCC2(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000361436582 266821973 /nfs/dbraw/zinc/82/19/73/266821973.db2.gz YJKITJLPPRDAPM-WMZOPIPTSA-N 2 1 286.463 3.819 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CCC2(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000361436582 266821976 /nfs/dbraw/zinc/82/19/76/266821976.db2.gz YJKITJLPPRDAPM-WMZOPIPTSA-N 2 1 286.463 3.819 20 0 CHADMP CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000570898269 327631857 /nfs/dbraw/zinc/63/18/57/327631857.db2.gz JJRIAOURGFCLOI-DJIMGWMZSA-N 2 1 277.456 3.776 20 0 CHADMP CC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCCCC1 ZINC000394614936 327883400 /nfs/dbraw/zinc/88/34/00/327883400.db2.gz URKDDVYPPIVBMI-UHFFFAOYSA-N 2 1 264.457 3.563 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000531682488 328021148 /nfs/dbraw/zinc/02/11/48/328021148.db2.gz IDEFARPIHHLRGN-VQIMIIECSA-N 2 1 286.463 3.776 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000531700579 328025807 /nfs/dbraw/zinc/02/58/07/328025807.db2.gz REXPJBNLASSRIO-GUYCJALGSA-N 2 1 292.854 3.649 20 0 CHADMP Clc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000047971435 328032902 /nfs/dbraw/zinc/03/29/02/328032902.db2.gz ACTJEWFYLWALBB-UHFFFAOYSA-N 2 1 298.883 3.709 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1C(C)(C)C ZINC000534351437 328047946 /nfs/dbraw/zinc/04/79/46/328047946.db2.gz CHRKCQWOFKBFJP-CQSZACIVSA-N 2 1 274.452 3.729 20 0 CHADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000401827090 328069216 /nfs/dbraw/zinc/06/92/16/328069216.db2.gz HYNPZAHKPYDMDZ-GJZGRUSLSA-N 2 1 277.456 3.547 20 0 CHADMP Cc1cccc2c1cc[nH+]c2N1CCC([NH2+]CC2CC2)CC1 ZINC000563537995 328071792 /nfs/dbraw/zinc/07/17/92/328071792.db2.gz YYVBYZNUMPBXLH-UHFFFAOYSA-N 2 1 295.430 3.512 20 0 CHADMP CC(C)[N@H+](CCCc1c[nH+]cn1C)[C@H](C)c1ccsc1 ZINC000571175753 328089690 /nfs/dbraw/zinc/08/96/90/328089690.db2.gz MBDFNYOMMNLOCC-CQSZACIVSA-N 2 1 291.464 3.886 20 0 CHADMP CC(C)[N@@H+](CCCc1c[nH+]cn1C)[C@H](C)c1ccsc1 ZINC000571175753 328089692 /nfs/dbraw/zinc/08/96/92/328089692.db2.gz MBDFNYOMMNLOCC-CQSZACIVSA-N 2 1 291.464 3.886 20 0 CHADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000571514274 328130010 /nfs/dbraw/zinc/13/00/10/328130010.db2.gz JNGFRRIHGSNXPN-CEXWTWQISA-N 2 1 278.399 3.717 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000268813013 328186052 /nfs/dbraw/zinc/18/60/52/328186052.db2.gz HPCAJZFYHGVDEK-RYRKJORJSA-N 2 1 274.452 3.500 20 0 CHADMP C[C@@H]1C[N@@H+](CC2CCC(c3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000414652040 328208433 /nfs/dbraw/zinc/20/84/33/328208433.db2.gz CYLLPXKSRWQUTH-JVDULTGUSA-N 2 1 286.463 3.630 20 0 CHADMP Cc1ccc([C@H](C)[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)c(C)c1 ZINC000414682940 328213981 /nfs/dbraw/zinc/21/39/81/328213981.db2.gz ZLTWBVSHTFKINU-ULQDDVLXSA-N 2 1 274.452 3.684 20 0 CHADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C(C)C ZINC000531938350 328322314 /nfs/dbraw/zinc/32/23/14/328322314.db2.gz VZVXOSRJZXXYRP-JKSUJKDBSA-N 2 1 254.462 3.665 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccnc3ccccc23)CC1 ZINC000535080710 328385181 /nfs/dbraw/zinc/38/51/81/328385181.db2.gz LRHUZGBOSJDOLN-UHFFFAOYSA-N 2 1 297.446 3.541 20 0 CHADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000556866150 326974919 /nfs/dbraw/zinc/97/49/19/326974919.db2.gz XFMSGHGQVLHMNM-OALUTQOASA-N 2 1 286.463 3.675 20 0 CHADMP C[C@H]1C[N@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000262047300 327088528 /nfs/dbraw/zinc/08/85/28/327088528.db2.gz CNCILXXYNZUJBF-KXBFYZLASA-N 2 1 296.414 3.648 20 0 CHADMP C[C@H]1C[N@@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000262047300 327088529 /nfs/dbraw/zinc/08/85/29/327088529.db2.gz CNCILXXYNZUJBF-KXBFYZLASA-N 2 1 296.414 3.648 20 0 CHADMP Clc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000093488115 327123381 /nfs/dbraw/zinc/12/33/81/327123381.db2.gz AAOIDJQNCNARCJ-BHYGNILZSA-N 2 1 292.854 3.740 20 0 CHADMP C[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)C1CCCCC1 ZINC000559106899 327141594 /nfs/dbraw/zinc/14/15/94/327141594.db2.gz MCCAKZZLKVQAFI-BFYDXBDKSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)C1CCCCC1 ZINC000559106899 327141596 /nfs/dbraw/zinc/14/15/96/327141596.db2.gz MCCAKZZLKVQAFI-BFYDXBDKSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)C1CCCCC1 ZINC000559106899 327141597 /nfs/dbraw/zinc/14/15/97/327141597.db2.gz MCCAKZZLKVQAFI-BFYDXBDKSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CCCCC1 ZINC000559106899 327141599 /nfs/dbraw/zinc/14/15/99/327141599.db2.gz MCCAKZZLKVQAFI-BFYDXBDKSA-N 2 1 266.473 3.617 20 0 CHADMP CCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000313428950 327145885 /nfs/dbraw/zinc/14/58/85/327145885.db2.gz OSANKKKQJWFYAB-BBWFWOEESA-N 2 1 264.457 3.562 20 0 CHADMP CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000569361661 327163803 /nfs/dbraw/zinc/16/38/03/327163803.db2.gz KVXCDJKMGBMUEZ-KRWDZBQOSA-N 2 1 272.436 3.573 20 0 CHADMP CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000569361661 327163804 /nfs/dbraw/zinc/16/38/04/327163804.db2.gz KVXCDJKMGBMUEZ-KRWDZBQOSA-N 2 1 272.436 3.573 20 0 CHADMP CCC[NH+]1CCC([N@H+](C)C/C=C/c2ccc(F)cc2)CC1 ZINC000092165701 327187196 /nfs/dbraw/zinc/18/71/96/327187196.db2.gz LCSZDRQDTJEDNC-SNAWJCMRSA-N 2 1 290.426 3.645 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)C/C=C/c2ccc(F)cc2)CC1 ZINC000092165701 327187197 /nfs/dbraw/zinc/18/71/97/327187197.db2.gz LCSZDRQDTJEDNC-SNAWJCMRSA-N 2 1 290.426 3.645 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@H](CC1CC1)c1ccccc1)C1CC1 ZINC000560348965 327302023 /nfs/dbraw/zinc/30/20/23/327302023.db2.gz GSVOLBKYSOTLTO-LJQANCHMSA-N 2 1 286.463 3.992 20 0 CHADMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000560505496 327316560 /nfs/dbraw/zinc/31/65/60/327316560.db2.gz MPJJPLUGSBPVTR-GBESFXJTSA-N 2 1 286.463 3.787 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C2CCCC2)[C@H]2CCC[C@H]21 ZINC000560542671 327322001 /nfs/dbraw/zinc/32/20/01/327322001.db2.gz FCZUOPIFOLVPMN-IXDOHACOSA-N 2 1 278.484 3.665 20 0 CHADMP CCCC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119689664 327335630 /nfs/dbraw/zinc/33/56/30/327335630.db2.gz BQEMAWDREICJQX-YOEHRIQHSA-N 2 1 264.457 3.562 20 0 CHADMP CSc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)s1 ZINC000578404013 327335770 /nfs/dbraw/zinc/33/57/70/327335770.db2.gz AEYVNJUERCCIET-CYBMUJFWSA-N 2 1 298.521 3.824 20 0 CHADMP CSc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)s1 ZINC000578404013 327335772 /nfs/dbraw/zinc/33/57/72/327335772.db2.gz AEYVNJUERCCIET-CYBMUJFWSA-N 2 1 298.521 3.824 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261807948 327353167 /nfs/dbraw/zinc/35/31/67/327353167.db2.gz ZKODUUBDZUYHMX-DNVCBOLYSA-N 2 1 280.415 3.586 20 0 CHADMP CC1=CC[C@@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000561278519 327382051 /nfs/dbraw/zinc/38/20/51/327382051.db2.gz HZSPPCVAULGLDT-WOJBJXKFSA-N 2 1 298.474 3.639 20 0 CHADMP Cc1cc2cc([C@H](C)[NH2+]CCC[NH+](C)C)oc2cc1C ZINC000151916727 327524738 /nfs/dbraw/zinc/52/47/38/327524738.db2.gz SASUSKJZQZVCBJ-AWEZNQCLSA-N 2 1 274.408 3.652 20 0 CHADMP CC1(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000582641960 329117155 /nfs/dbraw/zinc/11/71/55/329117155.db2.gz GEYLJUHGLRGOKI-UHFFFAOYSA-N 2 1 298.474 3.775 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CCCC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000394478411 329117338 /nfs/dbraw/zinc/11/73/38/329117338.db2.gz BPKXFCPQAZPNFL-APWZRJJASA-N 2 1 286.463 3.819 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CCCC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000394478411 329117339 /nfs/dbraw/zinc/11/73/39/329117339.db2.gz BPKXFCPQAZPNFL-APWZRJJASA-N 2 1 286.463 3.819 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CCC1 ZINC000178233631 329194929 /nfs/dbraw/zinc/19/49/29/329194929.db2.gz KKESHEAPMYKGOJ-LSDHHAIUSA-N 2 1 292.492 3.738 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CCC1 ZINC000178233631 329194930 /nfs/dbraw/zinc/19/49/30/329194930.db2.gz KKESHEAPMYKGOJ-LSDHHAIUSA-N 2 1 292.492 3.738 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc2ccccc2n1 ZINC000178305582 329195889 /nfs/dbraw/zinc/19/58/89/329195889.db2.gz SWNIMJSTWPOJNM-OIISXLGYSA-N 2 1 297.446 3.758 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000178786665 329200440 /nfs/dbraw/zinc/20/04/40/329200440.db2.gz SQKPPHZJCMTSQO-SFHVURJKSA-N 2 1 297.446 3.984 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000178696862 329202378 /nfs/dbraw/zinc/20/23/78/329202378.db2.gz KROVYJOWWCJHBM-GJZGRUSLSA-N 2 1 285.435 3.741 20 0 CHADMP CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000178968055 329203210 /nfs/dbraw/zinc/20/32/10/329203210.db2.gz WEESLDVBZYPWLW-OALUTQOASA-N 2 1 286.463 3.644 20 0 CHADMP CCC(CC)[C@H](C[NH2+][C@H](C)CCc1ccco1)[NH+](C)C ZINC000035451854 329496681 /nfs/dbraw/zinc/49/66/81/329496681.db2.gz AEPYLUZLOPYHEV-PBHICJAKSA-N 2 1 280.456 3.557 20 0 CHADMP Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)o1 ZINC000071009182 329856415 /nfs/dbraw/zinc/85/64/15/329856415.db2.gz UGGNMHZNWRZEIK-UHFFFAOYSA-N 2 1 298.430 3.864 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000514150210 329868176 /nfs/dbraw/zinc/86/81/76/329868176.db2.gz YVKBXNUOSOLBGC-MRXNPFEDSA-N 2 1 292.467 3.856 20 0 CHADMP C[C@H](CC1CC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379616604 330142087 /nfs/dbraw/zinc/14/20/87/330142087.db2.gz CSJWTKLRWKRCLI-JTDSTZFVSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@H](CC1CC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379616604 330142089 /nfs/dbraw/zinc/14/20/89/330142089.db2.gz CSJWTKLRWKRCLI-JTDSTZFVSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@@H](CC[NH2+][C@@H]1CCC1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000379644529 330144922 /nfs/dbraw/zinc/14/49/22/330144922.db2.gz CLABZJIMUGGKJJ-DOTOQJQBSA-N 2 1 274.452 3.675 20 0 CHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc2ccccc2n1 ZINC000422703943 330151042 /nfs/dbraw/zinc/15/10/42/330151042.db2.gz OFKADOGYKNLNFI-WBVHZDCISA-N 2 1 297.446 3.635 20 0 CHADMP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422707372 330151135 /nfs/dbraw/zinc/15/11/35/330151135.db2.gz WMUMEXAZPLCUSI-OQIJWPOYSA-N 2 1 286.463 3.896 20 0 CHADMP FC(F)(F)C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422720594 330152051 /nfs/dbraw/zinc/15/20/51/330152051.db2.gz ZTLMRCMOHQPOMQ-IXXDHKBRSA-N 2 1 298.352 3.553 20 0 CHADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000422736742 330152870 /nfs/dbraw/zinc/15/28/70/330152870.db2.gz WLJXMJIUPKTGSU-CIUDSAMLSA-N 2 1 293.213 3.909 20 0 CHADMP Cc1cccc(C([NH2+][C@@H](C)C2C[NH2+]C2)c2cccc(C)c2)c1 ZINC000422848655 330157398 /nfs/dbraw/zinc/15/73/98/330157398.db2.gz KIDPWBLXSFKIIP-INIZCTEOSA-N 2 1 294.442 3.590 20 0 CHADMP CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422919681 330160560 /nfs/dbraw/zinc/16/05/60/330160560.db2.gz KWEMFDUTDUDWPV-CWLKWCNXSA-N 2 1 274.452 3.894 20 0 CHADMP CC[C@H](C)C[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422919684 330160634 /nfs/dbraw/zinc/16/06/34/330160634.db2.gz KWEMFDUTDUDWPV-UOVPBQLFSA-N 2 1 274.452 3.894 20 0 CHADMP C[C@@H]([NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1)[C@H]1CC[NH2+]C1 ZINC000422940037 330161802 /nfs/dbraw/zinc/16/18/02/330161802.db2.gz MXVJXSOTTOXHSI-MNOVXSKESA-N 2 1 299.245 3.570 20 0 CHADMP CC(C)C[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1cccs1 ZINC000422947064 330161874 /nfs/dbraw/zinc/16/18/74/330161874.db2.gz PSBVVYYDNLPWMS-MCIONIFRSA-N 2 1 266.454 3.565 20 0 CHADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000423024755 330166020 /nfs/dbraw/zinc/16/60/20/330166020.db2.gz MMMSKLGUANBFTN-OPQQBVKSSA-N 2 1 292.320 3.535 20 0 CHADMP Cc1ccc(C)c([C@@H]([NH2+]C2CC[NH2+]CC2)c2ccccc2)c1 ZINC000423059377 330167615 /nfs/dbraw/zinc/16/76/15/330167615.db2.gz FLWYCAVCWRYDKS-FQEVSTJZSA-N 2 1 294.442 3.734 20 0 CHADMP CSCc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000423113463 330170935 /nfs/dbraw/zinc/17/09/35/330170935.db2.gz UGGRUSBSMFDFGN-MSOLQXFVSA-N 2 1 298.455 3.784 20 0 CHADMP CC(F)(F)c1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000423127296 330171499 /nfs/dbraw/zinc/17/14/99/330171499.db2.gz BUGZWXFMFLAHQV-HUUCEWRRSA-N 2 1 282.378 3.548 20 0 CHADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c(F)cccc32)c2ccccc21 ZINC000423149503 330172927 /nfs/dbraw/zinc/17/29/27/330172927.db2.gz XNLIOCMRKGSLSV-GUDVDZBRSA-N 2 1 296.389 3.938 20 0 CHADMP CCc1nc(C)c([C@@H](C)[NH2+]CC2([NH3+])CCCCCC2)s1 ZINC000423203240 330177022 /nfs/dbraw/zinc/17/70/22/330177022.db2.gz RZZPFSIDDXXCSV-GFCCVEGCSA-N 2 1 295.496 3.716 20 0 CHADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000423258485 330183333 /nfs/dbraw/zinc/18/33/33/330183333.db2.gz BODAGHORSNNLMJ-ZANVPECISA-N 2 1 275.223 3.627 20 0 CHADMP Cc1cc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cs1 ZINC000423259678 330183373 /nfs/dbraw/zinc/18/33/73/330183373.db2.gz FNBLZOMYUHEDAX-SWLSCSKDSA-N 2 1 266.454 3.615 20 0 CHADMP Cc1ccsc1[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423259164 330183468 /nfs/dbraw/zinc/18/34/68/330183468.db2.gz DDFYZWHWHORPCK-TZMCWYRMSA-N 2 1 266.454 3.615 20 0 CHADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000423263876 330184045 /nfs/dbraw/zinc/18/40/45/330184045.db2.gz BHLAFKAAFLTPQX-STQMWFEESA-N 2 1 287.234 3.554 20 0 CHADMP [NH3+]C[C@H]([NH2+][C@H]1CCC[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000423276178 330184954 /nfs/dbraw/zinc/18/49/54/330184954.db2.gz MNLNTTWSITUJBA-XIRDDKMYSA-N 2 1 292.854 3.693 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cc2cccc(OC)c2o1 ZINC000423281158 330185342 /nfs/dbraw/zinc/18/53/42/330185342.db2.gz ANYULCUSHRTIMQ-GFCCVEGCSA-N 2 1 290.407 3.610 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000423287785 330186276 /nfs/dbraw/zinc/18/62/76/330186276.db2.gz ONDPXKMCVRPTLU-JQWIXIFHSA-N 2 1 284.494 3.781 20 0 CHADMP CCC[C@@H]([NH2+]CC([NH3+])(CC)CC)c1ccsc1 ZINC000423288727 330186636 /nfs/dbraw/zinc/18/66/36/330186636.db2.gz URFQMFSYCAMQLI-CYBMUJFWSA-N 2 1 254.443 3.696 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCC12CCCCC2 ZINC000423296318 330188258 /nfs/dbraw/zinc/18/82/58/330188258.db2.gz GPFCWJPVOCIEIF-CABCVRRESA-N 2 1 252.446 3.597 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@H](CCC)c1ccsc1 ZINC000423297357 330188685 /nfs/dbraw/zinc/18/86/85/330188685.db2.gz JXSYIQOIPGCZDQ-ZIAGYGMSSA-N 2 1 254.443 3.696 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000423304319 330188997 /nfs/dbraw/zinc/18/89/97/330188997.db2.gz YJDDSLGMFAZAKU-CXAGYDPISA-N 2 1 285.435 3.652 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000423299713 330189063 /nfs/dbraw/zinc/18/90/63/330189063.db2.gz QLZPMQXBRWDQON-IXDOHACOSA-N 2 1 289.467 3.523 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423302021 330189070 /nfs/dbraw/zinc/18/90/70/330189070.db2.gz VAGVKKMNYCWDDV-BEFAXECRSA-N 2 1 297.446 3.917 20 0 CHADMP [NH3+]C1(C[NH2+][C@H](c2ccccc2F)C2CCCC2)CCC1 ZINC000423317106 330190021 /nfs/dbraw/zinc/19/00/21/330190021.db2.gz CEFNUGZOUWAULA-INIZCTEOSA-N 2 1 276.399 3.528 20 0 CHADMP [NH3+]C1(C[NH2+][C@H](Cc2ccccc2F)c2ccccc2)CCC1 ZINC000423317667 330190024 /nfs/dbraw/zinc/19/00/24/330190024.db2.gz CWPQTMCZQRUJJE-GOSISDBHSA-N 2 1 298.405 3.581 20 0 CHADMP Cc1cccc(COc2ccc([C@@H](C)[NH2+][C@H](C)C[NH3+])cc2)c1 ZINC000423320395 330190390 /nfs/dbraw/zinc/19/03/90/330190390.db2.gz GIZZKDJPFYXVIC-HZPDHXFCSA-N 2 1 298.430 3.572 20 0 CHADMP CC(C)CC[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccoc1 ZINC000423346536 330192519 /nfs/dbraw/zinc/19/25/19/330192519.db2.gz PYDRXNVUWCDBTR-SJORKVTESA-N 2 1 278.440 3.736 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(-c2ccccc2F)s1 ZINC000423373132 330195535 /nfs/dbraw/zinc/19/55/35/330195535.db2.gz RLYUWNFQQFQIAT-WDEREUQCSA-N 2 1 278.396 3.552 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)C2CCCC2)o1 ZINC000423404139 330196621 /nfs/dbraw/zinc/19/66/21/330196621.db2.gz YTQDDYMAVIEGEB-XGWLTEMNSA-N 2 1 276.424 3.549 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(-c2ccccc2)o1 ZINC000423383360 330199129 /nfs/dbraw/zinc/19/91/29/330199129.db2.gz FAJDTLIYPNJMKU-DZKIICNBSA-N 2 1 284.403 3.595 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)c2ccccc2)cc1 ZINC000423384144 330199767 /nfs/dbraw/zinc/19/97/67/330199767.db2.gz QCLFBFXBESEAIJ-NSISKUIASA-N 2 1 294.442 3.815 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc(Cl)cc(Cl)c1 ZINC000423383821 330199786 /nfs/dbraw/zinc/19/97/86/330199786.db2.gz PQKFJEZCOUJTIB-BFVZDQMLSA-N 2 1 287.234 3.785 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cc(Cl)sc1Cl ZINC000423389812 330200460 /nfs/dbraw/zinc/20/04/60/330200460.db2.gz OKZZMJHDVUPZLN-DJLDLDEBSA-N 2 1 293.263 3.975 20 0 CHADMP Cc1nc(-c2cc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cs2)cs1 ZINC000423448900 330202557 /nfs/dbraw/zinc/20/25/57/330202557.db2.gz QSWSDXHMLQOPTA-UTLUCORTSA-N 2 1 295.477 3.566 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccs2)cc1)[C@H](C)[NH3+] ZINC000423452735 330203169 /nfs/dbraw/zinc/20/31/69/330203169.db2.gz WTONFGYPPBEIPB-XQQFMLRXSA-N 2 1 274.433 3.801 20 0 CHADMP CC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000423454763 330203377 /nfs/dbraw/zinc/20/33/77/330203377.db2.gz ZNQHNWFFUQZVJR-ZDMBXUJBSA-N 2 1 275.223 3.770 20 0 CHADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000423464620 330204201 /nfs/dbraw/zinc/20/42/01/330204201.db2.gz MHXCPOFPSKHZST-CRAIPNDOSA-N 2 1 298.430 3.654 20 0 CHADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1 ZINC000423468581 330204793 /nfs/dbraw/zinc/20/47/93/330204793.db2.gz ONTPAOMUJRKMFI-ZIBATOQPSA-N 2 1 266.816 3.507 20 0 CHADMP C[C@@H]([NH2+][C@H](CC1CC1)c1ccc(Cl)cc1)[C@H](C)[NH3+] ZINC000423468576 330204830 /nfs/dbraw/zinc/20/48/30/330204830.db2.gz ONTPAOMUJRKMFI-FIXISWKDSA-N 2 1 266.816 3.507 20 0 CHADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(-c2cccs2)cc1 ZINC000423484755 330206529 /nfs/dbraw/zinc/20/65/29/330206529.db2.gz YWVLGMQJCRQDQS-IUODEOHRSA-N 2 1 274.433 3.803 20 0 CHADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000423518913 330209695 /nfs/dbraw/zinc/20/96/95/330209695.db2.gz CSEHKPDAFSSQCD-NSHDSACASA-N 2 1 295.496 3.542 20 0 CHADMP Clc1ccc2c(c1)[C@H]([NH2+]CCC[NH2+]C1CC1)CCS2 ZINC000423524726 330209907 /nfs/dbraw/zinc/20/99/07/330209907.db2.gz JYWCKCYSMQNZDW-CQSZACIVSA-N 2 1 296.867 3.609 20 0 CHADMP CC[C@H]([NH2+]CCC[NH2+]C1CC1)c1cccc(Cl)c1F ZINC000423549683 330211718 /nfs/dbraw/zinc/21/17/18/330211718.db2.gz HYWWLANDIJJCLC-AWEZNQCLSA-N 2 1 284.806 3.662 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000536852971 330250889 /nfs/dbraw/zinc/25/08/89/330250889.db2.gz RDNPCMNWDZXMBA-KXBFYZLASA-N 2 1 297.446 3.959 20 0 CHADMP CCC(F)(F)C(C)(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000527664953 330274169 /nfs/dbraw/zinc/27/41/69/330274169.db2.gz DMYOBHBUDZHHNQ-AGUYFDCRSA-N 2 1 288.426 3.663 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527691048 330279238 /nfs/dbraw/zinc/27/92/38/330279238.db2.gz KRPASNXYEMJJRW-NNYOOSKESA-N 2 1 290.495 3.664 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cccc(C(C)C)c1 ZINC000527852324 330288385 /nfs/dbraw/zinc/28/83/85/330288385.db2.gz CJBKLZGXCLTTLT-CQSZACIVSA-N 2 1 271.408 3.666 20 0 CHADMP Cc1cccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C(C)C)c1 ZINC000527905882 330290128 /nfs/dbraw/zinc/29/01/28/330290128.db2.gz RRODKXPNHVBCQM-XVLXNVKGSA-N 2 1 286.463 3.907 20 0 CHADMP CC[C@H](C)c1ccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000527892323 330292400 /nfs/dbraw/zinc/29/24/00/330292400.db2.gz NXQIBEOXUMLIPN-LSDHHAIUSA-N 2 1 285.435 3.827 20 0 CHADMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1C ZINC000044534201 330329685 /nfs/dbraw/zinc/32/96/85/330329685.db2.gz BZCDDUFVZXAZQB-IAGOWNOFSA-N 2 1 274.452 3.604 20 0 CHADMP C1CC1[NH+]1CCC([NH2+][C@H](C2CCC2)C2CCCCC2)CC1 ZINC000424264708 330332834 /nfs/dbraw/zinc/33/28/34/330332834.db2.gz UOSSONMBMIWKTI-IBGZPJMESA-N 2 1 290.495 3.952 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C[C@H]1c1ccccc1 ZINC000424287733 330334265 /nfs/dbraw/zinc/33/42/65/330334265.db2.gz HWLIOQIQXBERHF-MUGJNUQGSA-N 2 1 298.474 3.848 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C[C@H]1c1ccccc1 ZINC000424287733 330334266 /nfs/dbraw/zinc/33/42/66/330334266.db2.gz HWLIOQIQXBERHF-MUGJNUQGSA-N 2 1 298.474 3.848 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)c(F)c1 ZINC000212728438 330367056 /nfs/dbraw/zinc/36/70/56/330367056.db2.gz CDBZTYCFGHCUEU-LLVKDONJSA-N 2 1 296.817 3.757 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)c(F)c1 ZINC000212706920 330367097 /nfs/dbraw/zinc/36/70/97/330367097.db2.gz VSHSALITIJWGSH-RYUDHWBXSA-N 2 1 296.817 3.614 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCCC(C)(C)C ZINC000119512191 330375196 /nfs/dbraw/zinc/37/51/96/330375196.db2.gz QBUADLPCAWEPFD-KFWWJZLASA-N 2 1 254.462 3.521 20 0 CHADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119689476 330378831 /nfs/dbraw/zinc/37/88/31/330378831.db2.gz BQEMAWDREICJQX-PBHICJAKSA-N 2 1 264.457 3.562 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC=CCC2)cc1 ZINC000090035957 330389883 /nfs/dbraw/zinc/38/98/83/330389883.db2.gz ZZVLOMXORVTNAC-YOEHRIQHSA-N 2 1 281.403 3.940 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2C=CCCC2)cc1 ZINC000090393042 330392296 /nfs/dbraw/zinc/39/22/96/330392296.db2.gz UWLFQCGTNSJYKB-WMLDXEAASA-N 2 1 281.403 3.940 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CCc1cccc(C)c1 ZINC000121466098 330401754 /nfs/dbraw/zinc/40/17/54/330401754.db2.gz RNBMHUCGJXTHHY-IAGOWNOFSA-N 2 1 299.462 3.747 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC(C)(C)CCc2ccccc21 ZINC000436285728 330673377 /nfs/dbraw/zinc/67/33/77/330673377.db2.gz PQPWHCYWCOZDQR-GOSISDBHSA-N 2 1 297.446 3.885 20 0 CHADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+]C1CCC(C(F)F)CC1 ZINC000442837871 330786097 /nfs/dbraw/zinc/78/60/97/330786097.db2.gz RAEMXQUZJUBYDO-NFOMZHRRSA-N 2 1 288.426 3.664 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC/C=C\c2ccccc2)CC1 ZINC000450853324 331003000 /nfs/dbraw/zinc/00/30/00/331003000.db2.gz HKXRDUDUPGMSON-HJLMUGLJSA-N 2 1 272.436 3.506 20 0 CHADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000163259643 331010621 /nfs/dbraw/zinc/01/06/21/331010621.db2.gz CVODNTPXIGSOIX-QWRGUYRKSA-N 2 1 294.851 3.724 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)[C@@H]1CCC[C@H](C)C1 ZINC000452062170 331052508 /nfs/dbraw/zinc/05/25/08/331052508.db2.gz ROZASGGPHZPRPY-YQQAZPJKSA-N 2 1 277.456 3.776 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2sccc21 ZINC000453057395 331085251 /nfs/dbraw/zinc/08/52/51/331085251.db2.gz DXSDWPRBBBIERL-NYTXWWLZSA-N 2 1 290.476 3.903 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1c1ccccc1 ZINC000453269240 331109597 /nfs/dbraw/zinc/10/95/97/331109597.db2.gz PJWZOCHFPGIDGJ-BVBHFADKSA-N 2 1 286.463 3.500 20 0 CHADMP CC/C=C/C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453317464 331115681 /nfs/dbraw/zinc/11/56/81/331115681.db2.gz KSWKDQZITLHNKO-BKZWIDLJSA-N 2 1 284.447 3.738 20 0 CHADMP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC000453338414 331118802 /nfs/dbraw/zinc/11/88/02/331118802.db2.gz FXPBBQLFSSDASZ-HQSKLWIPSA-N 2 1 278.484 3.950 20 0 CHADMP CC(C)[C@H](Cc1ccccc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453399158 331128308 /nfs/dbraw/zinc/12/83/08/331128308.db2.gz KXPYHSLSJXXZJP-IBGZPJMESA-N 2 1 288.479 3.718 20 0 CHADMP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(F)cc1 ZINC000453409194 331129722 /nfs/dbraw/zinc/12/97/22/331129722.db2.gz FWCVYWWGYMULJZ-KRWDZBQOSA-N 2 1 278.415 3.741 20 0 CHADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453410047 331129844 /nfs/dbraw/zinc/12/98/44/331129844.db2.gz UQWHTPFQBLZZHU-CQSZACIVSA-N 2 1 294.870 3.735 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@@H]1CCc2cc(Cl)ccc21)C1CC1 ZINC000453410802 331129873 /nfs/dbraw/zinc/12/98/73/331129873.db2.gz VHGZDEZESWWKBE-QGZVFWFLSA-N 2 1 292.854 3.791 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@H]1CCCc2cc(F)ccc21)C1CC1 ZINC000453414006 331130049 /nfs/dbraw/zinc/13/00/49/331130049.db2.gz WXWMOPOPECILMR-SFHVURJKSA-N 2 1 290.426 3.667 20 0 CHADMP C[C@@H](CCc1ccccc1F)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453416365 331130359 /nfs/dbraw/zinc/13/03/59/331130359.db2.gz XKCZBLJLVCBUHH-HNNXBMFYSA-N 2 1 292.442 3.611 20 0 CHADMP Cc1cccc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c1C ZINC000453418625 331130443 /nfs/dbraw/zinc/13/04/43/331130443.db2.gz YNUOFVSZIFBMMU-MRXNPFEDSA-N 2 1 274.452 3.828 20 0 CHADMP Cc1cc(C[NH2+]CCCC[N@H+](C)C2CC2)cc2cccnc12 ZINC000453603309 331136055 /nfs/dbraw/zinc/13/60/55/331136055.db2.gz XHIDMHHWGPFUMC-UHFFFAOYSA-N 2 1 297.446 3.507 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)C[C@H]1n1ccnc1 ZINC000459349543 331277592 /nfs/dbraw/zinc/27/75/92/331277592.db2.gz IDSLJSIMCVENAS-DNVCBOLYSA-N 2 1 295.430 3.844 20 0 CHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC1CCC(F)(F)CC1 ZINC000459359441 331278108 /nfs/dbraw/zinc/27/81/08/331278108.db2.gz QNJLWJYVTTVLSS-OAHLLOKOSA-N 2 1 288.426 3.618 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC1CCC(F)(F)CC1 ZINC000459359441 331278109 /nfs/dbraw/zinc/27/81/09/331278109.db2.gz QNJLWJYVTTVLSS-OAHLLOKOSA-N 2 1 288.426 3.618 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC1CCC(F)(F)CC1 ZINC000459359441 331278110 /nfs/dbraw/zinc/27/81/10/331278110.db2.gz QNJLWJYVTTVLSS-OAHLLOKOSA-N 2 1 288.426 3.618 20 0 CHADMP c1cc(C2CC2)ccc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000459534872 331286427 /nfs/dbraw/zinc/28/64/27/331286427.db2.gz VCSFAOGBSWQEQO-UHFFFAOYSA-N 2 1 284.447 3.671 20 0 CHADMP C[N@@H+](CCCC[NH2+]C1CC(C)(c2ccccc2)C1)C1CC1 ZINC000459596900 331290071 /nfs/dbraw/zinc/29/00/71/331290071.db2.gz OGLLXKMZJYPTLQ-UHFFFAOYSA-N 2 1 286.463 3.571 20 0 CHADMP Cc1cc(F)c(C[NH2+]CCCC[N@H+](C)C2CC2)c(Cl)c1 ZINC000459601135 331290220 /nfs/dbraw/zinc/29/02/20/331290220.db2.gz WHIXHTFAWKZSKN-UHFFFAOYSA-N 2 1 298.833 3.752 20 0 CHADMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)s1 ZINC000166175187 331306754 /nfs/dbraw/zinc/30/67/54/331306754.db2.gz XUVXPHABYFBUGP-ZDUSSCGKSA-N 2 1 280.481 3.606 20 0 CHADMP CC(C)[C@@H](C[NH2+][C@H]1CC[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000462679886 331325078 /nfs/dbraw/zinc/32/50/78/331325078.db2.gz IMPPKTPKPXQSHR-YESZJQIVSA-N 2 1 266.473 3.521 20 0 CHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H](C)C2)C1 ZINC000462745177 331327078 /nfs/dbraw/zinc/32/70/78/331327078.db2.gz OFAYWIUQRPEUKY-ARFHVFGLSA-N 2 1 266.473 3.665 20 0 CHADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H](C)C2)C1 ZINC000462745177 331327079 /nfs/dbraw/zinc/32/70/79/331327079.db2.gz OFAYWIUQRPEUKY-ARFHVFGLSA-N 2 1 266.473 3.665 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)c(C)c2)[C@@H](C)C1 ZINC000462823380 331331386 /nfs/dbraw/zinc/33/13/86/331331386.db2.gz UCLDGABSPGXYJB-YOEHRIQHSA-N 2 1 294.870 3.511 20 0 CHADMP CC(C)=CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463278714 331344817 /nfs/dbraw/zinc/34/48/17/331344817.db2.gz HHCKPSXJRAKFFR-MJGOQNOKSA-N 2 1 286.463 3.985 20 0 CHADMP CC(C)=CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463278714 331344818 /nfs/dbraw/zinc/34/48/18/331344818.db2.gz HHCKPSXJRAKFFR-MJGOQNOKSA-N 2 1 286.463 3.985 20 0 CHADMP CC(C)[NH+](CC[NH2+][C@@H]1CCC[C@@H]1CCCF)C(C)C ZINC000510702251 332912647 /nfs/dbraw/zinc/91/26/47/332912647.db2.gz LVTDKUZITCPFCC-HZPDHXFCSA-N 2 1 272.452 3.613 20 0 CHADMP CCCC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489637851 332062436 /nfs/dbraw/zinc/06/24/36/332062436.db2.gz XQVQSBWSKPKXQP-UHFFFAOYSA-N 2 1 274.452 3.631 20 0 CHADMP C[C@H](c1ccc2c(c1)CCC2)[N@@H+](C)C[C@@H]1CCCN(C)C1 ZINC000489845908 332069853 /nfs/dbraw/zinc/06/98/53/332069853.db2.gz ZKEIUONXRBLUJF-HZPDHXFCSA-N 2 1 286.463 3.510 20 0 CHADMP C[C@H](c1ccc2c(c1)CCC2)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000489845908 332069854 /nfs/dbraw/zinc/06/98/54/332069854.db2.gz ZKEIUONXRBLUJF-HZPDHXFCSA-N 2 1 286.463 3.510 20 0 CHADMP C[C@H](c1ccc2c(c1)CCC2)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000489845908 332069856 /nfs/dbraw/zinc/06/98/56/332069856.db2.gz ZKEIUONXRBLUJF-HZPDHXFCSA-N 2 1 286.463 3.510 20 0 CHADMP C[C@H](c1ccc2c(c1)CCC2)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000489845908 332069857 /nfs/dbraw/zinc/06/98/57/332069857.db2.gz ZKEIUONXRBLUJF-HZPDHXFCSA-N 2 1 286.463 3.510 20 0 CHADMP C[C@H](c1ccc2c(c1)CCC2)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000489845908 332069859 /nfs/dbraw/zinc/06/98/59/332069859.db2.gz ZKEIUONXRBLUJF-HZPDHXFCSA-N 2 1 286.463 3.510 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2cccc(F)c2)C[C@@H]1C ZINC000490013119 332076483 /nfs/dbraw/zinc/07/64/83/332076483.db2.gz LPTZFKFIPZBQGS-YJBOKZPZSA-N 2 1 292.442 3.563 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2cccc(F)c2)C[C@@H]1C ZINC000490013119 332076484 /nfs/dbraw/zinc/07/64/84/332076484.db2.gz LPTZFKFIPZBQGS-YJBOKZPZSA-N 2 1 292.442 3.563 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2cccc(F)c2)C[C@@H]1C ZINC000490013119 332076485 /nfs/dbraw/zinc/07/64/85/332076485.db2.gz LPTZFKFIPZBQGS-YJBOKZPZSA-N 2 1 292.442 3.563 20 0 CHADMP C(CC[NH+]1CC[C@@H](C2CC2)C1)CC[N@H+]1CC[C@H](C2CC2)C1 ZINC000491115230 332151195 /nfs/dbraw/zinc/15/11/95/332151195.db2.gz DSUUGVJJMOKWAB-KDURUIRLSA-N 2 1 290.495 3.621 20 0 CHADMP C(CC[NH+]1CC[C@H](C2CC2)C1)CC[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000491115230 332151197 /nfs/dbraw/zinc/15/11/97/332151197.db2.gz DSUUGVJJMOKWAB-KDURUIRLSA-N 2 1 290.495 3.621 20 0 CHADMP C(CC[NH+]1CC[C@H](C2CC2)C1)CC[N@H+]1CC[C@@H](C2CC2)C1 ZINC000491115230 332151199 /nfs/dbraw/zinc/15/11/99/332151199.db2.gz DSUUGVJJMOKWAB-KDURUIRLSA-N 2 1 290.495 3.621 20 0 CHADMP CC(C)=CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248825472 334318391 /nfs/dbraw/zinc/31/83/91/334318391.db2.gz GAMTZDKQQDQSDI-LDLYASANSA-N 2 1 284.447 3.738 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000310019497 333053052 /nfs/dbraw/zinc/05/30/52/333053052.db2.gz QLXWCOULYWROTP-SJLPKXTDSA-N 2 1 286.463 3.677 20 0 CHADMP Cc1cccc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1 ZINC000312051832 333076067 /nfs/dbraw/zinc/07/60/67/333076067.db2.gz STIGOBVCIFICMA-SJORKVTESA-N 2 1 274.452 3.910 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183185139 333119513 /nfs/dbraw/zinc/11/95/13/333119513.db2.gz IBMJUXDJSANWFL-RIFZZMRRSA-N 2 1 298.474 3.917 20 0 CHADMP CC(C)[C@H]1CCc2ccccc2[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000184953988 333133667 /nfs/dbraw/zinc/13/36/67/333133667.db2.gz SWMAIMGATMABTF-MJGOQNOKSA-N 2 1 286.463 3.630 20 0 CHADMP CC[N@@H+](C)C[C@H]1CCN(c2c(C)c[nH+]c3c(C)cccc32)C1 ZINC000185330895 333138627 /nfs/dbraw/zinc/13/86/27/333138627.db2.gz ZQBMTJPFSDVJDV-MRXNPFEDSA-N 2 1 297.446 3.630 20 0 CHADMP CSc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000219149102 333142931 /nfs/dbraw/zinc/14/29/31/333142931.db2.gz JVNBEHJOIWVCFC-AWEZNQCLSA-N 2 1 280.481 3.789 20 0 CHADMP COc1ccsc1[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000186085870 333154879 /nfs/dbraw/zinc/15/48/79/333154879.db2.gz KVESGXJFVPADDZ-KBPBESRZSA-N 2 1 296.480 3.672 20 0 CHADMP COc1ccsc1[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000186085870 333154880 /nfs/dbraw/zinc/15/48/80/333154880.db2.gz KVESGXJFVPADDZ-KBPBESRZSA-N 2 1 296.480 3.672 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000189178448 333183733 /nfs/dbraw/zinc/18/37/33/333183733.db2.gz ULUBGNVEPUJOCT-IAGOWNOFSA-N 2 1 278.484 3.667 20 0 CHADMP Cc1ccc(C)c(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000521817124 333189770 /nfs/dbraw/zinc/18/97/70/333189770.db2.gz VOJKADNPITWHDV-KRWDZBQOSA-N 2 1 288.479 3.905 20 0 CHADMP CCCc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000222930692 333202294 /nfs/dbraw/zinc/20/22/94/333202294.db2.gz QFXNHEVRGWYZHL-MPGHIAIKSA-N 2 1 274.452 3.772 20 0 CHADMP CCCc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000222930692 333202296 /nfs/dbraw/zinc/20/22/96/333202296.db2.gz QFXNHEVRGWYZHL-MPGHIAIKSA-N 2 1 274.452 3.772 20 0 CHADMP CC(C)[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccccc1 ZINC000223025040 333203527 /nfs/dbraw/zinc/20/35/27/333203527.db2.gz FKJWLTKZBVJMPV-QGZVFWFLSA-N 2 1 262.441 3.704 20 0 CHADMP c1cn(CCC[N@H+]2CCCC3(CCCCC3)CC2)cn1 ZINC000190320666 333205611 /nfs/dbraw/zinc/20/56/11/333205611.db2.gz RIPXCDGMAXDAKY-UHFFFAOYSA-N 2 1 275.440 3.710 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC2CC2)c2ccccc2)C1 ZINC000575850824 335123546 /nfs/dbraw/zinc/12/35/46/335123546.db2.gz OUJIQYLUJKPCQI-IEBWSBKVSA-N 2 1 286.463 3.849 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC2CC2)c2ccccc2)C1 ZINC000575850823 335123585 /nfs/dbraw/zinc/12/35/85/335123585.db2.gz OUJIQYLUJKPCQI-HKUYNNGSSA-N 2 1 286.463 3.849 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2cccs2)C2CCCC2)C1 ZINC000226918745 333272081 /nfs/dbraw/zinc/27/20/81/333272081.db2.gz SZAUIFLXOZCTFI-PBHICJAKSA-N 2 1 292.492 3.911 20 0 CHADMP CC(C)c1ccc([C@H](C)[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000227183782 333277582 /nfs/dbraw/zinc/27/75/82/333277582.db2.gz PMZCRRSZHVWILH-MPGHIAIKSA-N 2 1 274.452 3.930 20 0 CHADMP CCC[N@H+](CC)CC[NH2+]C1CC(c2ccccc2C)C1 ZINC000228828299 333297550 /nfs/dbraw/zinc/29/75/50/333297550.db2.gz UOYURNQAPMJTEC-UHFFFAOYSA-N 2 1 274.452 3.563 20 0 CHADMP CCC[N@@H+](CC)CC[NH2+]C1CC(c2ccccc2C)C1 ZINC000228828299 333297551 /nfs/dbraw/zinc/29/75/51/333297551.db2.gz UOYURNQAPMJTEC-UHFFFAOYSA-N 2 1 274.452 3.563 20 0 CHADMP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000250442164 333305290 /nfs/dbraw/zinc/30/52/90/333305290.db2.gz QYGXORHLFUMFMI-MJBXVCDLSA-N 2 1 278.465 3.588 20 0 CHADMP C[NH+](C)CC[C@@H]([NH2+]Cc1ccccc1Cl)C(C)(C)C ZINC000523863174 333348573 /nfs/dbraw/zinc/34/85/73/333348573.db2.gz KURJSFKDTKSSSE-OAHLLOKOSA-N 2 1 282.859 3.796 20 0 CHADMP c1ccc(C2CCC([NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000236682774 333374678 /nfs/dbraw/zinc/37/46/78/333374678.db2.gz TXHKHMXESMDEAI-GUMHCPJTSA-N 2 1 298.474 3.929 20 0 CHADMP c1ccc(C2CCC([NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000236682774 333374679 /nfs/dbraw/zinc/37/46/79/333374679.db2.gz TXHKHMXESMDEAI-GUMHCPJTSA-N 2 1 298.474 3.929 20 0 CHADMP CC[C@@H]1CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000576112696 335156380 /nfs/dbraw/zinc/15/63/80/335156380.db2.gz QFXZUQKRGPWWEB-NWJVMNJYSA-N 2 1 298.474 3.960 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(C)(C)C ZINC000129002976 333735366 /nfs/dbraw/zinc/73/53/66/333735366.db2.gz HHXRWFZLWSUZQK-INIZCTEOSA-N 2 1 288.479 3.718 20 0 CHADMP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000542486436 333827592 /nfs/dbraw/zinc/82/75/92/333827592.db2.gz IUZQCPYKWBVHPN-UONOGXRCSA-N 2 1 296.405 3.880 20 0 CHADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000545894224 334004721 /nfs/dbraw/zinc/00/47/21/334004721.db2.gz IUAPZRMYHLZCCW-HOTGVXAUSA-N 2 1 282.431 3.784 20 0 CHADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000546019569 334012927 /nfs/dbraw/zinc/01/29/27/334012927.db2.gz XXDDPCFBAKGQOJ-WMZOPIPTSA-N 2 1 286.463 3.612 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C2CCCCC2)c1 ZINC000236665032 334063535 /nfs/dbraw/zinc/06/35/35/334063535.db2.gz WFJUOWOOBOJFOL-UHFFFAOYSA-N 2 1 274.452 3.949 20 0 CHADMP CC[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1)[NH+]1CCCC1 ZINC000549143944 334186526 /nfs/dbraw/zinc/18/65/26/334186526.db2.gz UGFNAUOMXOPDBD-YSHGAJCASA-N 2 1 286.463 3.643 20 0 CHADMP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC000245446455 334193924 /nfs/dbraw/zinc/19/39/24/334193924.db2.gz ZWBCRAFCWAOHKI-HUUCEWRRSA-N 2 1 278.415 3.550 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC000245446455 334193925 /nfs/dbraw/zinc/19/39/25/334193925.db2.gz ZWBCRAFCWAOHKI-HUUCEWRRSA-N 2 1 278.415 3.550 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC000245446455 334193926 /nfs/dbraw/zinc/19/39/26/334193926.db2.gz ZWBCRAFCWAOHKI-HUUCEWRRSA-N 2 1 278.415 3.550 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC000245446455 334193927 /nfs/dbraw/zinc/19/39/27/334193927.db2.gz ZWBCRAFCWAOHKI-HUUCEWRRSA-N 2 1 278.415 3.550 20 0 CHADMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC000245446607 334193953 /nfs/dbraw/zinc/19/39/53/334193953.db2.gz ZYPAQEPIVNKNGM-CABCVRRESA-N 2 1 278.415 3.550 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC000245446607 334193954 /nfs/dbraw/zinc/19/39/54/334193954.db2.gz ZYPAQEPIVNKNGM-CABCVRRESA-N 2 1 278.415 3.550 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC000245446607 334193956 /nfs/dbraw/zinc/19/39/56/334193956.db2.gz ZYPAQEPIVNKNGM-CABCVRRESA-N 2 1 278.415 3.550 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2cccc(F)c2)C1 ZINC000245446607 334193957 /nfs/dbraw/zinc/19/39/57/334193957.db2.gz ZYPAQEPIVNKNGM-CABCVRRESA-N 2 1 278.415 3.550 20 0 CHADMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccccc2F)C1 ZINC000081572685 334197211 /nfs/dbraw/zinc/19/72/11/334197211.db2.gz FTDGPIHZLMGREF-GJZGRUSLSA-N 2 1 278.415 3.550 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccccc2F)C1 ZINC000081572685 334197212 /nfs/dbraw/zinc/19/72/12/334197212.db2.gz FTDGPIHZLMGREF-GJZGRUSLSA-N 2 1 278.415 3.550 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC000081572685 334197213 /nfs/dbraw/zinc/19/72/13/334197213.db2.gz FTDGPIHZLMGREF-GJZGRUSLSA-N 2 1 278.415 3.550 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC000081572685 334197214 /nfs/dbraw/zinc/19/72/14/334197214.db2.gz FTDGPIHZLMGREF-GJZGRUSLSA-N 2 1 278.415 3.550 20 0 CHADMP CCCC[C@H](CCC)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246927023 334272131 /nfs/dbraw/zinc/27/21/31/334272131.db2.gz GICRIMZXKGHDBR-JYJNAYRXSA-N 2 1 254.462 3.665 20 0 CHADMP C[C@@H](C[NH+]1CCC2(CCC[N@@H+]2C)CC1)C1CCCCC1 ZINC000549923135 334209035 /nfs/dbraw/zinc/20/90/35/334209035.db2.gz PIASHMOEOVPQII-INIZCTEOSA-N 2 1 278.484 3.763 20 0 CHADMP C[C@@H](C[NH+]1CCC2(CCC[N@H+]2C)CC1)C1CCCCC1 ZINC000549923135 334209037 /nfs/dbraw/zinc/20/90/37/334209037.db2.gz PIASHMOEOVPQII-INIZCTEOSA-N 2 1 278.484 3.763 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C/C=C/c2ccc(F)cc2)[C@@H](C)C1 ZINC000245710897 334214403 /nfs/dbraw/zinc/21/44/03/334214403.db2.gz FYUFNEOZVVLAHN-PWSDSBMBSA-N 2 1 290.426 3.501 20 0 CHADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C)c1ccccc1 ZINC000246987521 334273370 /nfs/dbraw/zinc/27/33/70/334273370.db2.gz KNRFFKASCPMWMV-NUJGCVRESA-N 2 1 274.452 3.500 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000246996366 334273553 /nfs/dbraw/zinc/27/35/53/334273553.db2.gz KLAHBVARYCKHHI-GUYCJALGSA-N 2 1 292.854 3.649 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(F)c2)C[C@@H]1c1ccccc1 ZINC000550605504 334225043 /nfs/dbraw/zinc/22/50/43/334225043.db2.gz GIKQENLYBPWAKT-RBUKOAKNSA-N 2 1 298.405 3.751 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(F)c2)C[C@@H]1c1ccccc1 ZINC000550605504 334225045 /nfs/dbraw/zinc/22/50/45/334225045.db2.gz GIKQENLYBPWAKT-RBUKOAKNSA-N 2 1 298.405 3.751 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(C)cc2C)C1 ZINC000247000390 334273780 /nfs/dbraw/zinc/27/37/80/334273780.db2.gz KRFGQEGXPQBAGA-SJORKVTESA-N 2 1 274.452 3.686 20 0 CHADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCCc2occc21 ZINC000246213731 334241140 /nfs/dbraw/zinc/24/11/40/334241140.db2.gz SHXFXWJAWFBHJA-ZBFHGGJFSA-N 2 1 276.424 3.511 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCc2occc21 ZINC000246213731 334241141 /nfs/dbraw/zinc/24/11/41/334241141.db2.gz SHXFXWJAWFBHJA-ZBFHGGJFSA-N 2 1 276.424 3.511 20 0 CHADMP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246220741 334242010 /nfs/dbraw/zinc/24/20/10/334242010.db2.gz ZFNGZXXUYJZAFD-OLZOCXBDSA-N 2 1 298.833 3.814 20 0 CHADMP C[C@H](c1ccc(F)c(Cl)c1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246220741 334242011 /nfs/dbraw/zinc/24/20/11/334242011.db2.gz ZFNGZXXUYJZAFD-OLZOCXBDSA-N 2 1 298.833 3.814 20 0 CHADMP C[C@H](c1ccc(F)c(Cl)c1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246220741 334242013 /nfs/dbraw/zinc/24/20/13/334242013.db2.gz ZFNGZXXUYJZAFD-OLZOCXBDSA-N 2 1 298.833 3.814 20 0 CHADMP CCC(CC)(C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000247157144 334276662 /nfs/dbraw/zinc/27/66/62/334276662.db2.gz RVJKRPZPAXYZKT-WMZOPIPTSA-N 2 1 288.479 3.817 20 0 CHADMP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@H]1CC[N@@H+](CCC)C1 ZINC000247097436 334275640 /nfs/dbraw/zinc/27/56/40/334275640.db2.gz PVDFKXUILUNPKZ-ARFHVFGLSA-N 2 1 254.462 3.523 20 0 CHADMP C(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CCCC1 ZINC000246421043 334257066 /nfs/dbraw/zinc/25/70/66/334257066.db2.gz CCDMWHARMYHVBR-WMZOPIPTSA-N 2 1 276.468 3.515 20 0 CHADMP C(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CCCC1 ZINC000246421043 334257067 /nfs/dbraw/zinc/25/70/67/334257067.db2.gz CCDMWHARMYHVBR-WMZOPIPTSA-N 2 1 276.468 3.515 20 0 CHADMP C(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CCCC1 ZINC000246421043 334257068 /nfs/dbraw/zinc/25/70/68/334257068.db2.gz CCDMWHARMYHVBR-WMZOPIPTSA-N 2 1 276.468 3.515 20 0 CHADMP COc1cccc([C@@H](C)[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000246471395 334259194 /nfs/dbraw/zinc/25/91/94/334259194.db2.gz GVYUFSDKAQNGDD-NVXWUHKLSA-N 2 1 290.451 3.562 20 0 CHADMP COc1cccc([C@@H](C)[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000246471395 334259195 /nfs/dbraw/zinc/25/91/95/334259195.db2.gz GVYUFSDKAQNGDD-NVXWUHKLSA-N 2 1 290.451 3.562 20 0 CHADMP COc1cccc([C@@H](C)[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000246471395 334259196 /nfs/dbraw/zinc/25/91/96/334259196.db2.gz GVYUFSDKAQNGDD-NVXWUHKLSA-N 2 1 290.451 3.562 20 0 CHADMP Cc1cccc(C(C)(C)C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000246888695 334271440 /nfs/dbraw/zinc/27/14/40/334271440.db2.gz DOJMZBUTYOCWBB-SOLBZPMBSA-N 2 1 288.479 3.591 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cccs1 ZINC000247167033 334276881 /nfs/dbraw/zinc/27/68/81/334276881.db2.gz ULNKCFNSSHZOAY-HUUCEWRRSA-N 2 1 280.481 3.911 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(CC)s2)C1 ZINC000247228455 334277649 /nfs/dbraw/zinc/27/76/49/334277649.db2.gz YDANFCZREMPYLR-ZIAGYGMSSA-N 2 1 280.481 3.693 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000247534542 334284602 /nfs/dbraw/zinc/28/46/02/334284602.db2.gz OOMOBXQBEPQMLP-MAUKXSAKSA-N 2 1 292.442 3.941 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000247534542 334284604 /nfs/dbraw/zinc/28/46/04/334284604.db2.gz OOMOBXQBEPQMLP-MAUKXSAKSA-N 2 1 292.442 3.941 20 0 CHADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)ccc1Cl ZINC000552067613 334284961 /nfs/dbraw/zinc/28/49/61/334284961.db2.gz RJACBIZEHHKPET-DJIMGWMZSA-N 2 1 292.854 3.611 20 0 CHADMP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000552246185 334308023 /nfs/dbraw/zinc/30/80/23/334308023.db2.gz MEJKOXXIWIHSAN-NVXWUHKLSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1c[nH+]ccc1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248666547 334312269 /nfs/dbraw/zinc/31/22/69/334312269.db2.gz OEPSFQIUQNBUPY-FUHWJXTLSA-N 2 1 295.430 3.855 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000552338504 334318130 /nfs/dbraw/zinc/31/81/30/334318130.db2.gz GHXDKMVUKPWYRK-NUJGCVRESA-N 2 1 274.452 3.643 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000552338504 334318132 /nfs/dbraw/zinc/31/81/32/334318132.db2.gz GHXDKMVUKPWYRK-NUJGCVRESA-N 2 1 274.452 3.643 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000552338505 334318257 /nfs/dbraw/zinc/31/82/57/334318257.db2.gz GHXDKMVUKPWYRK-RYRKJORJSA-N 2 1 274.452 3.643 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000552338505 334318258 /nfs/dbraw/zinc/31/82/58/334318258.db2.gz GHXDKMVUKPWYRK-RYRKJORJSA-N 2 1 274.452 3.643 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC(C)(C)C[C@H]2C)C1 ZINC000248858809 334319976 /nfs/dbraw/zinc/31/99/76/334319976.db2.gz LSBLBWSLDWCSGE-BZUAXINKSA-N 2 1 266.473 3.521 20 0 CHADMP CCC[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000249272198 334330811 /nfs/dbraw/zinc/33/08/11/334330811.db2.gz KSBDOPCSOLVTRR-FUHWJXTLSA-N 2 1 274.452 3.629 20 0 CHADMP CCC[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249272198 334330813 /nfs/dbraw/zinc/33/08/13/334330813.db2.gz KSBDOPCSOLVTRR-FUHWJXTLSA-N 2 1 274.452 3.629 20 0 CHADMP CCC[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000249272198 334330815 /nfs/dbraw/zinc/33/08/15/334330815.db2.gz KSBDOPCSOLVTRR-FUHWJXTLSA-N 2 1 274.452 3.629 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000249314191 334331917 /nfs/dbraw/zinc/33/19/17/334331917.db2.gz MXTZMRXYNLKUIF-VDERGJSUSA-N 2 1 290.476 3.542 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(C)c(C)cc2C)C1 ZINC000249382059 334332862 /nfs/dbraw/zinc/33/28/62/334332862.db2.gz TXXDJRJBDZNRTP-IAGOWNOFSA-N 2 1 274.452 3.604 20 0 CHADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000552580090 334337467 /nfs/dbraw/zinc/33/74/67/334337467.db2.gz PJGKDHJRSZDOFX-JDFRZJQESA-N 2 1 296.405 3.734 20 0 CHADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000552580090 334337469 /nfs/dbraw/zinc/33/74/69/334337469.db2.gz PJGKDHJRSZDOFX-JDFRZJQESA-N 2 1 296.405 3.734 20 0 CHADMP Cc1ccccc1[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000089425607 334345067 /nfs/dbraw/zinc/34/50/67/334345067.db2.gz XIXDUCCUQVDVII-WMZOPIPTSA-N 2 1 272.436 3.616 20 0 CHADMP Cc1ccccc1[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000089425607 334345068 /nfs/dbraw/zinc/34/50/68/334345068.db2.gz XIXDUCCUQVDVII-WMZOPIPTSA-N 2 1 272.436 3.616 20 0 CHADMP Cc1ccccc1[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000089425607 334345070 /nfs/dbraw/zinc/34/50/70/334345070.db2.gz XIXDUCCUQVDVII-WMZOPIPTSA-N 2 1 272.436 3.616 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(Cl)c1 ZINC000250891247 334352861 /nfs/dbraw/zinc/35/28/61/334352861.db2.gz DOHVFYWEYFGBMT-WQVCFCJDSA-N 2 1 278.827 3.617 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)c(Cl)c1 ZINC000251492751 334362371 /nfs/dbraw/zinc/36/23/71/334362371.db2.gz JBDVGDYIFOLZSY-UBHSHLNASA-N 2 1 296.817 3.757 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)o1 ZINC000090586199 334364205 /nfs/dbraw/zinc/36/42/05/334364205.db2.gz IKRXKNJNXGDWEH-JKSUJKDBSA-N 2 1 292.467 3.861 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC000090586199 334364207 /nfs/dbraw/zinc/36/42/07/334364207.db2.gz IKRXKNJNXGDWEH-JKSUJKDBSA-N 2 1 292.467 3.861 20 0 CHADMP C[C@@H](c1ccccc1Cl)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000251598193 334365307 /nfs/dbraw/zinc/36/53/07/334365307.db2.gz YSPNCVMOIQEYPU-UONOGXRCSA-N 2 1 280.843 3.723 20 0 CHADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000252194112 334376387 /nfs/dbraw/zinc/37/63/87/334376387.db2.gz VHNOWRQDYJNYHV-AKBNIOSXSA-N 2 1 278.484 3.806 20 0 CHADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000252194112 334376389 /nfs/dbraw/zinc/37/63/89/334376389.db2.gz VHNOWRQDYJNYHV-AKBNIOSXSA-N 2 1 278.484 3.806 20 0 CHADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000567639518 334745054 /nfs/dbraw/zinc/74/50/54/334745054.db2.gz XMIQAOZCHMUJBS-OAHLLOKOSA-N 2 1 296.842 3.531 20 0 CHADMP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccccn1 ZINC000158556244 334805254 /nfs/dbraw/zinc/80/52/54/334805254.db2.gz MYTRHKFCDGGZDR-MRXNPFEDSA-N 2 1 295.430 3.528 20 0 CHADMP CC1(C)CC(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000576576118 335220559 /nfs/dbraw/zinc/22/05/59/335220559.db2.gz KLTWAVXQKVNFBL-IAGOWNOFSA-N 2 1 272.436 3.506 20 0 CHADMP Cc1ccncc1CCC[N@H+](C)CCc1ccc(F)cc1 ZINC000576672560 335233167 /nfs/dbraw/zinc/23/31/67/335233167.db2.gz XLQJZTICPTZQQU-UHFFFAOYSA-N 2 1 286.394 3.636 20 0 CHADMP C[NH+](C)CC[C@H]([NH2+][C@H]1CCCc2occc21)C(C)(C)C ZINC000192873881 335318602 /nfs/dbraw/zinc/31/86/02/335318602.db2.gz OUSDWIWNHRCDJA-HOCLYGCPSA-N 2 1 278.440 3.613 20 0 CHADMP CCc1ccc([C@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)C(C)C)cc1 ZINC000577249994 335329755 /nfs/dbraw/zinc/32/97/55/335329755.db2.gz IGBJYJYAFFBUSJ-VQIMIIECSA-N 2 1 297.446 3.816 20 0 CHADMP CC[C@H]1CCC[C@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000577542789 335366688 /nfs/dbraw/zinc/36/66/88/335366688.db2.gz ITCVKVMOEVSNJK-SZNINPNASA-N 2 1 278.484 3.760 20 0 CHADMP CC[C@H]1CCC[C@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000577542789 335366689 /nfs/dbraw/zinc/36/66/89/335366689.db2.gz ITCVKVMOEVSNJK-SZNINPNASA-N 2 1 278.484 3.760 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000178696240 335445760 /nfs/dbraw/zinc/44/57/60/335445760.db2.gz MAEFABGCKGXYHU-JKSUJKDBSA-N 2 1 299.462 3.784 20 0 CHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3sccc3Cl)C2)CC1 ZINC000581098975 336008130 /nfs/dbraw/zinc/00/81/30/336008130.db2.gz HARYAISNUAKQMQ-CYBMUJFWSA-N 2 1 298.883 3.565 20 0 CHADMP CCCC1CCC(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000581386344 336066593 /nfs/dbraw/zinc/06/65/93/336066593.db2.gz PYSLLDPZAWSGIO-ABHNRTSZSA-N 2 1 280.500 3.913 20 0 CHADMP C[C@H]([NH2+]CCC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382026443 336080421 /nfs/dbraw/zinc/08/04/21/336080421.db2.gz BECWBZCYIYVQNO-WMZOPIPTSA-N 2 1 288.479 3.923 20 0 CHADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000581556044 336102328 /nfs/dbraw/zinc/10/23/28/336102328.db2.gz LPSHBFBRJCKJOS-RBUKOAKNSA-N 2 1 297.446 3.669 20 0 CHADMP C([NH2+][C@H]1CCCCC12CCCC2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000383737602 336117206 /nfs/dbraw/zinc/11/72/06/336117206.db2.gz ADNAIXZZBIWMTQ-RDJZCZTQSA-N 2 1 276.468 3.563 20 0 CHADMP C[C@@H]1C[C@H]([N@@H+](C)CCC2CCCCCC2)CCN1C ZINC000581778399 336145811 /nfs/dbraw/zinc/14/58/11/336145811.db2.gz LXHDXMQXOHFMQY-NVXWUHKLSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)CCC2CCCCCC2)CC[N@@H+]1C ZINC000581778399 336145812 /nfs/dbraw/zinc/14/58/12/336145812.db2.gz LXHDXMQXOHFMQY-NVXWUHKLSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)CCC2CCCCCC2)CC[N@H+]1C ZINC000581778399 336145813 /nfs/dbraw/zinc/14/58/13/336145813.db2.gz LXHDXMQXOHFMQY-NVXWUHKLSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@@H]1C[C@H]([N@H+](C)CCC2CCCCCC2)CC[NH+]1C ZINC000581778399 336145814 /nfs/dbraw/zinc/14/58/14/336145814.db2.gz LXHDXMQXOHFMQY-NVXWUHKLSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@@H]1C[C@H]([N@@H+](C)CCC2CCCCCC2)CC[NH+]1C ZINC000581778399 336145815 /nfs/dbraw/zinc/14/58/15/336145815.db2.gz LXHDXMQXOHFMQY-NVXWUHKLSA-N 2 1 266.473 3.761 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@H]1CCc2c1cccc2Cl)C1CC1 ZINC000581985214 336184850 /nfs/dbraw/zinc/18/48/50/336184850.db2.gz MPVGCYQIHDXDHG-KRWDZBQOSA-N 2 1 292.854 3.791 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000128861006 518183538 /nfs/dbraw/zinc/18/35/38/518183538.db2.gz FIAKCQWHIOWZCK-CMPLNLGQSA-N 2 1 287.234 3.786 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccc3cccnc32)CC1 ZINC000299626342 519670392 /nfs/dbraw/zinc/67/03/92/519670392.db2.gz VJSHSDVAMLFAEJ-UHFFFAOYSA-N 2 1 297.446 3.539 20 0 CHADMP CC(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)c2ccccc21 ZINC000278271290 519805069 /nfs/dbraw/zinc/80/50/69/519805069.db2.gz PBJYYZSHVWNOSN-ZWKOTPCHSA-N 2 1 272.436 3.555 20 0 CHADMP CC(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000275491068 519839971 /nfs/dbraw/zinc/83/99/71/519839971.db2.gz JBICBQWVYJAYKN-JKSUJKDBSA-N 2 1 297.446 3.920 20 0 CHADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccccc2OC)CC1 ZINC000037150177 520577613 /nfs/dbraw/zinc/57/76/13/520577613.db2.gz PUOIMKMLOBNCGO-OAHLLOKOSA-N 2 1 290.451 3.610 20 0 CHADMP CCSc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000290354473 521756323 /nfs/dbraw/zinc/75/63/23/521756323.db2.gz GIAODDJZMFAWTG-YOEHRIQHSA-N 2 1 292.492 3.571 20 0 CHADMP CCSc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000290354473 521756327 /nfs/dbraw/zinc/75/63/27/521756327.db2.gz GIAODDJZMFAWTG-YOEHRIQHSA-N 2 1 292.492 3.571 20 0 CHADMP CCSc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000290354473 521756331 /nfs/dbraw/zinc/75/63/31/521756331.db2.gz GIAODDJZMFAWTG-YOEHRIQHSA-N 2 1 292.492 3.571 20 0 CHADMP CCSc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000290354473 521756334 /nfs/dbraw/zinc/75/63/34/521756334.db2.gz GIAODDJZMFAWTG-YOEHRIQHSA-N 2 1 292.492 3.571 20 0 CHADMP C[C@H](CCc1ccccc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164015 524246715 /nfs/dbraw/zinc/24/67/15/524246715.db2.gz KKBUIWSFUPFOJH-BPIHKTFHSA-N 2 1 286.463 3.613 20 0 CHADMP C[C@H](CCc1ccccc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164015 524246719 /nfs/dbraw/zinc/24/67/19/524246719.db2.gz KKBUIWSFUPFOJH-BPIHKTFHSA-N 2 1 286.463 3.613 20 0 CHADMP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000130478533 524479658 /nfs/dbraw/zinc/47/96/58/524479658.db2.gz YUKUVOMLLIZUBX-GVXVVHGQSA-N 2 1 284.494 3.603 20 0 CHADMP C[C@H](C[NH2+][C@@H](C)c1nccc2ccccc21)C[NH+]1CCCC1 ZINC000289636428 524495665 /nfs/dbraw/zinc/49/56/65/524495665.db2.gz HMQVTVXOFMMDJH-CVEARBPZSA-N 2 1 297.446 3.617 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)c2ccccc21 ZINC000278850577 524616774 /nfs/dbraw/zinc/61/67/74/524616774.db2.gz ACUFPXWHNIELPB-IIDMSEBBSA-N 2 1 295.430 3.674 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)c2cccc(Cl)c2)CC[N@H+]1C ZINC000121782040 524804200 /nfs/dbraw/zinc/80/42/00/524804200.db2.gz GEEXMXSWEABJJE-BBRMVZONSA-N 2 1 294.870 3.690 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc2sccc2c1 ZINC000289904405 524916127 /nfs/dbraw/zinc/91/61/27/524916127.db2.gz UDCNXSXOESJBNS-XJKCOSOUSA-N 2 1 288.460 3.720 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1nccc2ccccc21 ZINC000290710534 525562073 /nfs/dbraw/zinc/56/20/73/525562073.db2.gz NWQOKUWXXMBAEB-UAGQMJEPSA-N 2 1 297.446 3.758 20 0 CHADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(Cl)cn1 ZINC000274943009 525593457 /nfs/dbraw/zinc/59/34/57/525593457.db2.gz TXPLHNGHESAAPX-SWLSCSKDSA-N 2 1 297.874 3.752 20 0 CHADMP Cc1ccoc1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000266168033 525803042 /nfs/dbraw/zinc/80/30/42/525803042.db2.gz BGBMMHJZUXHNKK-UHFFFAOYSA-N 2 1 286.419 3.718 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000157394832 525941664 /nfs/dbraw/zinc/94/16/64/525941664.db2.gz CPDIPBBWQSHQKA-DOPJRALCSA-N 2 1 266.388 3.790 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1F ZINC000227542296 525948335 /nfs/dbraw/zinc/94/83/35/525948335.db2.gz SOAJISNWSGOURX-RZAIGCCYSA-N 2 1 284.378 3.930 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277071194 526043545 /nfs/dbraw/zinc/04/35/45/526043545.db2.gz DSZVDEZTBQISHK-XJKSGUPXSA-N 2 1 280.843 3.817 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277071194 526043558 /nfs/dbraw/zinc/04/35/58/526043558.db2.gz DSZVDEZTBQISHK-XJKSGUPXSA-N 2 1 280.843 3.817 20 0 CHADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226327119 526055831 /nfs/dbraw/zinc/05/58/31/526055831.db2.gz JKLOVEUAEPAVKZ-NEPJUHHUSA-N 2 1 284.806 3.601 20 0 CHADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226326493 526065492 /nfs/dbraw/zinc/06/54/92/526065492.db2.gz NJVFXRNNBKQSQW-HOTGVXAUSA-N 2 1 282.431 3.962 20 0 CHADMP C[C@@H](c1ccccc1Cl)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277256789 526102364 /nfs/dbraw/zinc/10/23/64/526102364.db2.gz QPPAQLNFDPVYFM-UONOGXRCSA-N 2 1 280.843 3.817 20 0 CHADMP C[C@@H](c1ccccc1Cl)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277256789 526102371 /nfs/dbraw/zinc/10/23/71/526102371.db2.gz QPPAQLNFDPVYFM-UONOGXRCSA-N 2 1 280.843 3.817 20 0 CHADMP c1cc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)ccc2s1 ZINC000289913299 526447878 /nfs/dbraw/zinc/44/78/78/526447878.db2.gz UMERMMWMDBESDZ-HOTGVXAUSA-N 2 1 286.444 3.618 20 0 CHADMP Cc1sccc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000339342450 526916977 /nfs/dbraw/zinc/91/69/77/526916977.db2.gz HMAGVCKKGAMHTM-BBRMVZONSA-N 2 1 292.492 3.799 20 0 CHADMP [NH3+][C@H]1CCC[C@H](CNc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000227668238 527406413 /nfs/dbraw/zinc/40/64/13/527406413.db2.gz QTLKOHPCRHLEHY-AAEUAGOBSA-N 2 1 289.810 3.818 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000275615132 527421915 /nfs/dbraw/zinc/42/19/15/527421915.db2.gz RKRBRUQDIMFXOC-RBUKOAKNSA-N 2 1 297.446 3.583 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000275615128 527424017 /nfs/dbraw/zinc/42/40/17/527424017.db2.gz RKRBRUQDIMFXOC-OALUTQOASA-N 2 1 297.446 3.583 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000131191438 527438654 /nfs/dbraw/zinc/43/86/54/527438654.db2.gz FIBGBYJXISHKEG-ZYSHUDEJSA-N 2 1 297.446 3.754 20 0 CHADMP CCC[N@@H+](Cc1cc2cc(F)ccc2o1)C1CC[NH2+]CC1 ZINC000347183394 528131458 /nfs/dbraw/zinc/13/14/58/528131458.db2.gz WVVCZSZBSIKXOW-UHFFFAOYSA-N 2 1 290.382 3.536 20 0 CHADMP CCC[N@@H+](Cc1ccc(Cl)c(C)c1)C1CC[NH2+]CC1 ZINC000347043422 528134480 /nfs/dbraw/zinc/13/44/80/528134480.db2.gz MRDXRPAAVYQSPL-UHFFFAOYSA-N 2 1 280.843 3.612 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)c2cccc(C)c2)C1 ZINC000353525334 528261490 /nfs/dbraw/zinc/26/14/90/528261490.db2.gz YINCEHORGCMJOV-SJLPKXTDSA-N 2 1 274.452 3.768 20 0 CHADMP CC(C)C[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192918118 528267971 /nfs/dbraw/zinc/26/79/71/528267971.db2.gz YGWZYDKMIAQQFF-AEFFLSMTSA-N 2 1 274.452 3.533 20 0 CHADMP CCC(CC)(CC)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352761709 528630871 /nfs/dbraw/zinc/63/08/71/528630871.db2.gz YMMAXNPRTBHZHN-UHFFFAOYSA-N 2 1 283.485 3.511 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3occc3c2)C1 ZINC000352766424 529016053 /nfs/dbraw/zinc/01/60/53/529016053.db2.gz WSZQSIBEZZNLNB-INIZCTEOSA-N 2 1 286.419 3.643 20 0 CHADMP Cc1ccc(N2CCCC[C@H]2CC[NH+]2CCCC2)[nH+]c1C ZINC001165047196 721968594 /nfs/dbraw/zinc/96/85/94/721968594.db2.gz JFUFTGJJFKCFQM-KRWDZBQOSA-N 2 1 287.451 3.543 20 0 CHADMP CC[C@H]1CC[N@H+]1CC(C)(C)CN(C)Cc1ccccc1 ZINC000430198788 1117853712 /nfs/dbraw/zinc/85/37/12/1117853712.db2.gz PZFVVEAJEAONNW-KRWDZBQOSA-N 2 1 274.452 3.629 20 0 CHADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)ccc1Cl ZINC000623492148 1117861507 /nfs/dbraw/zinc/86/15/07/1117861507.db2.gz NRXMFRXTRBNXBI-CQSZACIVSA-N 2 1 280.843 3.611 20 0 CHADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)ccc1Cl ZINC000623492148 1117861512 /nfs/dbraw/zinc/86/15/12/1117861512.db2.gz NRXMFRXTRBNXBI-CQSZACIVSA-N 2 1 280.843 3.611 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C2CCCCC2)CC[N@H+]1C ZINC000179548116 1117907393 /nfs/dbraw/zinc/90/73/93/1117907393.db2.gz TYIPIDAJCXYVMA-ZBFHGGJFSA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)[C@@H](C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCC1 ZINC000251681222 1125482561 /nfs/dbraw/zinc/48/25/61/1125482561.db2.gz ALOXZIKOAYXVRP-LTIDMASMSA-N 2 1 266.473 3.521 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000624119847 1117983474 /nfs/dbraw/zinc/98/34/74/1117983474.db2.gz KVUBKYNHKHFSEE-ZIAGYGMSSA-N 2 1 280.843 3.723 20 0 CHADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(Cl)cc1 ZINC000037886391 1118043238 /nfs/dbraw/zinc/04/32/38/1118043238.db2.gz GDSUVTDTKIWNAL-INIZCTEOSA-N 2 1 280.843 3.865 20 0 CHADMP CCCC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)C1CCC1 ZINC000184904251 1118057585 /nfs/dbraw/zinc/05/75/85/1118057585.db2.gz SRTUMLZOGVGPDB-QGZVFWFLSA-N 2 1 277.456 3.920 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841366 1118234385 /nfs/dbraw/zinc/23/43/85/1118234385.db2.gz NFXBEFAAFXVGQI-ZIAGYGMSSA-N 2 1 280.843 3.675 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841366 1118234388 /nfs/dbraw/zinc/23/43/88/1118234388.db2.gz NFXBEFAAFXVGQI-ZIAGYGMSSA-N 2 1 280.843 3.675 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(Cl)s1 ZINC000623348725 1119461133 /nfs/dbraw/zinc/46/11/33/1119461133.db2.gz JEILBNIUQUIHQC-MNOVXSKESA-N 2 1 286.872 3.925 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(Cl)s1 ZINC000623348725 1119461135 /nfs/dbraw/zinc/46/11/35/1119461135.db2.gz JEILBNIUQUIHQC-MNOVXSKESA-N 2 1 286.872 3.925 20 0 CHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccsc1 ZINC000050337880 1125503567 /nfs/dbraw/zinc/50/35/67/1125503567.db2.gz NPKIEIFBPNMDPY-KBPBESRZSA-N 2 1 266.454 3.663 20 0 CHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccsc1 ZINC000050337880 1125503569 /nfs/dbraw/zinc/50/35/69/1125503569.db2.gz NPKIEIFBPNMDPY-KBPBESRZSA-N 2 1 266.454 3.663 20 0 CHADMP CC1(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)CCCCC1 ZINC001222308624 1120533359 /nfs/dbraw/zinc/53/33/59/1120533359.db2.gz KSXHPPORGRUAIR-QGZVFWFLSA-N 2 1 264.457 3.565 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000420990374 1122053659 /nfs/dbraw/zinc/05/36/59/1122053659.db2.gz FKKXKLVLMHHACL-OAHLLOKOSA-N 2 1 284.394 3.704 20 0 CHADMP CCC1(C)CCC([NH2+]CCC[N@@H+](C)CC(C)C)CC1 ZINC001182712472 1122183724 /nfs/dbraw/zinc/18/37/24/1122183724.db2.gz AFPMFIPUBNQFCP-UHFFFAOYSA-N 2 1 268.489 3.913 20 0 CHADMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC000505621269 1122439217 /nfs/dbraw/zinc/43/92/17/1122439217.db2.gz QLRREQBSOMJKMQ-OAHLLOKOSA-N 2 1 262.441 3.533 20 0 CHADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C1CCSCC1 ZINC000474707538 1123574016 /nfs/dbraw/zinc/57/40/16/1123574016.db2.gz AUNLGBFQNWDDPX-NVXWUHKLSA-N 2 1 298.540 3.762 20 0 CHADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C1CCSCC1 ZINC000474707538 1123574019 /nfs/dbraw/zinc/57/40/19/1123574019.db2.gz AUNLGBFQNWDDPX-NVXWUHKLSA-N 2 1 298.540 3.762 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000532454274 1125389089 /nfs/dbraw/zinc/38/90/89/1125389089.db2.gz HHWQWRKQSFMTRA-MRXNPFEDSA-N 2 1 280.843 3.647 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000532454274 1125389093 /nfs/dbraw/zinc/38/90/93/1125389093.db2.gz HHWQWRKQSFMTRA-MRXNPFEDSA-N 2 1 280.843 3.647 20 0 CHADMP CCCCCC1CCC([N@H+]2CCC[C@H]([NH3+])CC2)CC1 ZINC001246548440 1131598247 /nfs/dbraw/zinc/59/82/47/1131598247.db2.gz TYUGEMXOJROGGV-CGZBRXJRSA-N 2 1 266.473 3.939 20 0 CHADMP CC(C)OCC[C@H](C)[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172436447 1132232118 /nfs/dbraw/zinc/23/21/18/1132232118.db2.gz DGEZPRSCXMMQOJ-ULQDDVLXSA-N 2 1 298.515 3.808 20 0 CHADMP CC[NH+](CC)C1CCC([N@@H+]2CCCCC(F)(F)C2)CC1 ZINC001173109183 1132392118 /nfs/dbraw/zinc/39/21/18/1132392118.db2.gz ZCPWBZWYUDFSAT-UHFFFAOYSA-N 2 1 288.426 3.761 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCCCC(F)(F)C2)CC1 ZINC001173109183 1132392127 /nfs/dbraw/zinc/39/21/27/1132392127.db2.gz ZCPWBZWYUDFSAT-UHFFFAOYSA-N 2 1 288.426 3.761 20 0 CHADMP CC(C)=CCCC1=CC[C@H](C[N@H+]2CC[C@@](C)([NH3+])C2)CC1 ZINC001204763191 1133481767 /nfs/dbraw/zinc/48/17/67/1133481767.db2.gz HUIJEJVLZDPZDD-ZWKOTPCHSA-N 2 1 276.468 3.882 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)CCc1cccc(Cl)c1 ZINC001207426220 1133800064 /nfs/dbraw/zinc/80/00/64/1133800064.db2.gz YHMYMAYZPBSGPY-UHFFFAOYSA-N 2 1 282.859 3.546 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222232519 1135210694 /nfs/dbraw/zinc/21/06/94/1135210694.db2.gz VVAFFQJRHOLYCZ-ZWKOTPCHSA-N 2 1 278.484 3.977 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000348309620 1125519292 /nfs/dbraw/zinc/51/92/92/1125519292.db2.gz AWPQUGDMZIOUEB-VDHUWJSZSA-N 2 1 290.426 3.520 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC000348309620 1125519296 /nfs/dbraw/zinc/51/92/96/1125519296.db2.gz AWPQUGDMZIOUEB-VDHUWJSZSA-N 2 1 290.426 3.520 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000348309614 1125519799 /nfs/dbraw/zinc/51/97/99/1125519799.db2.gz AWPQUGDMZIOUEB-LAVFITLUSA-N 2 1 290.426 3.520 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC000348309614 1125519805 /nfs/dbraw/zinc/51/98/05/1125519805.db2.gz AWPQUGDMZIOUEB-LAVFITLUSA-N 2 1 290.426 3.520 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C[C@@]2([NH+](C)C)CCC[C@H](C)C2)C[C@@H](C)C1 ZINC000251919972 1125521704 /nfs/dbraw/zinc/52/17/04/1125521704.db2.gz UOWAHKXLPWBCNB-QXDIGNSFSA-N 2 1 280.500 3.911 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000121504987 1125560956 /nfs/dbraw/zinc/56/09/56/1125560956.db2.gz YDXJPUIJNAZLSY-CHWSQXEVSA-N 2 1 291.826 3.832 20 0 CHADMP CC(C)=CCC[C@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000121440965 1125560275 /nfs/dbraw/zinc/56/02/75/1125560275.db2.gz WDWKMBOKVJTDKY-CABCVRRESA-N 2 1 263.429 3.552 20 0 CHADMP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000532802403 1125582439 /nfs/dbraw/zinc/58/24/39/1125582439.db2.gz IFVMATPREAFGIY-SCOADAFUSA-N 2 1 292.854 3.675 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2C(C)(C)C)C1 ZINC000533638720 1125620182 /nfs/dbraw/zinc/62/01/82/1125620182.db2.gz MOPDLRMCLFBBSW-HOTGVXAUSA-N 2 1 288.479 3.977 20 0 CHADMP C[C@@H]([NH2+]CCC1(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348359410 1125633797 /nfs/dbraw/zinc/63/37/97/1125633797.db2.gz TYEIRZXPYSIPCU-AEFFLSMTSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1C[C@H]1C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000886127956 1125653643 /nfs/dbraw/zinc/65/36/43/1125653643.db2.gz YOFYJRLVWKIOFF-NWGLXNPWSA-N 2 1 290.495 3.665 20 0 CHADMP CCC1([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886617159 1125698491 /nfs/dbraw/zinc/69/84/91/1125698491.db2.gz FQHLMDZDRAJRRM-KSZLIROESA-N 2 1 284.447 3.572 20 0 CHADMP CC(C)=CCC[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886659673 1125704558 /nfs/dbraw/zinc/70/45/58/1125704558.db2.gz RZKGSZCORQUTTE-UHFFFAOYSA-N 2 1 261.413 3.562 20 0 CHADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1cccc(C)c1 ZINC000285791434 1125715055 /nfs/dbraw/zinc/71/50/55/1125715055.db2.gz UTRAIIPIGKCVQD-QGZVFWFLSA-N 2 1 260.425 3.520 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(C)c1 ZINC000285647510 1125714786 /nfs/dbraw/zinc/71/47/86/1125714786.db2.gz MDUAOPTVHIDJMO-CRAIPNDOSA-N 2 1 272.436 3.520 20 0 CHADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(-c3ccccc3)cs2)C1 ZINC000261658136 1125737197 /nfs/dbraw/zinc/73/71/97/1125737197.db2.gz FMLXYYRQWBAPGP-KRWDZBQOSA-N 2 1 286.444 3.586 20 0 CHADMP C[C@@H](Cc1cccc(F)c1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000221810334 1125749999 /nfs/dbraw/zinc/74/99/99/1125749999.db2.gz JDTUUQPCXMYRMN-HOTGVXAUSA-N 2 1 292.442 3.611 20 0 CHADMP CC(C)Oc1ccc2ccccc2c1C[NH2+]CC1([NH3+])CCC1 ZINC000666828734 1125763485 /nfs/dbraw/zinc/76/34/85/1125763485.db2.gz ARFCTIJDANHJCQ-UHFFFAOYSA-N 2 1 298.430 3.598 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)Cc2cc3ccccc3s2)CC[N@@H+]1C ZINC000093643980 1125770843 /nfs/dbraw/zinc/77/08/43/1125770843.db2.gz KDQBBFPOBNITPK-ZFWWWQNUSA-N 2 1 288.460 3.816 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)Cc2cc3ccccc3s2)CC[N@H+]1C ZINC000093643980 1125770849 /nfs/dbraw/zinc/77/08/49/1125770849.db2.gz KDQBBFPOBNITPK-ZFWWWQNUSA-N 2 1 288.460 3.816 20 0 CHADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cc3ccccc3s2)CC[NH+]1C ZINC000093643980 1125770856 /nfs/dbraw/zinc/77/08/56/1125770856.db2.gz KDQBBFPOBNITPK-ZFWWWQNUSA-N 2 1 288.460 3.816 20 0 CHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc3ccccc3s2)CC[NH+]1C ZINC000093643980 1125770861 /nfs/dbraw/zinc/77/08/61/1125770861.db2.gz KDQBBFPOBNITPK-ZFWWWQNUSA-N 2 1 288.460 3.816 20 0 CHADMP C[C@@H]([NH2+]CCC1=CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508700471 1125775361 /nfs/dbraw/zinc/77/53/61/1125775361.db2.gz UJXMHIGAHVOCLE-YLJYHZDGSA-N 2 1 298.474 3.987 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2cccc(Cl)c2)CC[N@H+]1C ZINC000121781886 1125779761 /nfs/dbraw/zinc/77/97/61/1125779761.db2.gz GEEXMXSWEABJJE-CJNGLKHVSA-N 2 1 294.870 3.690 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(C)(C)C1CCCCC1)C2 ZINC001169113984 1129703588 /nfs/dbraw/zinc/70/35/88/1129703588.db2.gz VLXCPFUMQAHPQI-PHZGNYQRSA-N 2 1 264.457 3.560 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](Cc2ccc(C)cc2)C(C)C)CC1 ZINC000159320833 1129199361 /nfs/dbraw/zinc/19/93/61/1129199361.db2.gz ZRRASJROZSDUQA-LJQANCHMSA-N 2 1 288.479 3.636 20 0 CHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](C(C)(C)C)C1 ZINC000483256946 1126776392 /nfs/dbraw/zinc/77/63/92/1126776392.db2.gz GGHYSGSENWQTBH-HZPDHXFCSA-N 2 1 266.473 3.619 20 0 CHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000483256946 1126776395 /nfs/dbraw/zinc/77/63/95/1126776395.db2.gz GGHYSGSENWQTBH-HZPDHXFCSA-N 2 1 266.473 3.619 20 0 CHADMP C[NH+]1CCC2(CCC[N@H+]2CCC2CCCCC2)CC1 ZINC000483335039 1126781459 /nfs/dbraw/zinc/78/14/59/1126781459.db2.gz IOAPCFXJKPAZCC-UHFFFAOYSA-N 2 1 264.457 3.517 20 0 CHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cncs1 ZINC000484287767 1126813909 /nfs/dbraw/zinc/81/39/09/1126813909.db2.gz HAAVTSQMRQVCDW-QLFBSQMISA-N 2 1 295.496 3.694 20 0 CHADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000484357933 1126814993 /nfs/dbraw/zinc/81/49/93/1126814993.db2.gz QSVARUNKHINYFO-HUUCEWRRSA-N 2 1 286.419 3.876 20 0 CHADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000484357933 1126814995 /nfs/dbraw/zinc/81/49/95/1126814995.db2.gz QSVARUNKHINYFO-HUUCEWRRSA-N 2 1 286.419 3.876 20 0 CHADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc(C(F)F)c(F)c1 ZINC000904301677 1126844253 /nfs/dbraw/zinc/84/42/53/1126844253.db2.gz OLCIORGCOOCJDW-AWEZNQCLSA-N 2 1 288.357 3.569 20 0 CHADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(C(F)F)c(F)c1 ZINC000904301677 1126844257 /nfs/dbraw/zinc/84/42/57/1126844257.db2.gz OLCIORGCOOCJDW-AWEZNQCLSA-N 2 1 288.357 3.569 20 0 CHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000485029999 1126878082 /nfs/dbraw/zinc/87/80/82/1126878082.db2.gz QSVARUNKHINYFO-LSDHHAIUSA-N 2 1 286.419 3.876 20 0 CHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000485029999 1126878084 /nfs/dbraw/zinc/87/80/84/1126878084.db2.gz QSVARUNKHINYFO-LSDHHAIUSA-N 2 1 286.419 3.876 20 0 CHADMP Cc1cc[nH+]c(N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000182638265 1126874750 /nfs/dbraw/zinc/87/47/50/1126874750.db2.gz KIFVJZYIONBMQO-HNNXBMFYSA-N 2 1 299.418 3.504 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(F)F)cc2)[C@H](C)C1 ZINC000183969787 1126894613 /nfs/dbraw/zinc/89/46/13/1126894613.db2.gz GNACQUDJYCRUCS-CZUORRHYSA-N 2 1 296.405 3.786 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(F)F)cc2)[C@H](C)C1 ZINC000183969787 1126894615 /nfs/dbraw/zinc/89/46/15/1126894615.db2.gz GNACQUDJYCRUCS-CZUORRHYSA-N 2 1 296.405 3.786 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(F)F)cc2)[C@H](C)C1 ZINC000183969787 1126894618 /nfs/dbraw/zinc/89/46/18/1126894618.db2.gz GNACQUDJYCRUCS-CZUORRHYSA-N 2 1 296.405 3.786 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(C(F)F)cc1 ZINC000183979326 1126894796 /nfs/dbraw/zinc/89/47/96/1126894796.db2.gz LLCIIHNWALZCNP-UHFFFAOYSA-N 2 1 293.361 3.651 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(C(F)F)cc1 ZINC000183979326 1126894800 /nfs/dbraw/zinc/89/48/00/1126894800.db2.gz LLCIIHNWALZCNP-UHFFFAOYSA-N 2 1 293.361 3.651 20 0 CHADMP CCCCCCc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)s1 ZINC001235749623 1130776487 /nfs/dbraw/zinc/77/64/87/1130776487.db2.gz IOZWYONWUIBCGM-AWEZNQCLSA-N 2 1 280.481 3.652 20 0 CHADMP CC[N@@H+](Cc1ccc(Cl)c(C)c1C)C1CC[NH2+]CC1 ZINC001235764811 1130778998 /nfs/dbraw/zinc/77/89/98/1130778998.db2.gz JVGUZGUIWMTCHR-UHFFFAOYSA-N 2 1 280.843 3.531 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000191265625 1126950089 /nfs/dbraw/zinc/95/00/89/1126950089.db2.gz YDGLCQNECHYECX-MNOVXSKESA-N 2 1 297.855 3.893 20 0 CHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2sccc2Cl)C1 ZINC000193086941 1126966593 /nfs/dbraw/zinc/96/65/93/1126966593.db2.gz VIZYHZWOTAXKPV-GFCCVEGCSA-N 2 1 286.872 3.612 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2sccc2Cl)C1 ZINC000193086941 1126966595 /nfs/dbraw/zinc/96/65/95/1126966595.db2.gz VIZYHZWOTAXKPV-GFCCVEGCSA-N 2 1 286.872 3.612 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@@H+](C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236223242 1130896722 /nfs/dbraw/zinc/89/67/22/1130896722.db2.gz OAXNSULRJORNOC-ULQDDVLXSA-N 2 1 266.473 3.961 20 0 CHADMP c1ccc([C@@H]2CCC[C@H]2[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000268764654 1127022365 /nfs/dbraw/zinc/02/23/65/1127022365.db2.gz PLIGYUGRNAHEAT-RBUKOAKNSA-N 2 1 284.447 3.539 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@H]2CC2(C)C)c1 ZINC000487307420 1127031570 /nfs/dbraw/zinc/03/15/70/1127031570.db2.gz GEXZYYPIRHIIPW-RHSMWYFYSA-N 2 1 274.452 3.663 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccsc2Cl)CC2CC2)CC1 ZINC001236551351 1130973897 /nfs/dbraw/zinc/97/38/97/1130973897.db2.gz BWUQLDLMZRDWKD-HDJSIYSDSA-N 2 1 298.883 3.883 20 0 CHADMP CCCCC[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236567025 1130976344 /nfs/dbraw/zinc/97/63/44/1130976344.db2.gz RHHZCQQQMQZVFF-KOMQPUFPSA-N 2 1 252.446 3.691 20 0 CHADMP C[C@@H]1C[C@@H]1C[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236565684 1130976561 /nfs/dbraw/zinc/97/65/61/1130976561.db2.gz MNKMHVVMAZAFII-KCYZZUKISA-N 2 1 264.457 3.547 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236633400 1130987111 /nfs/dbraw/zinc/98/71/11/1130987111.db2.gz GSZYHQQIVBSNJW-MRXNPFEDSA-N 2 1 278.484 3.975 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000270655507 1127060063 /nfs/dbraw/zinc/06/00/63/1127060063.db2.gz NBYFMFBOVXUXQY-GUYCJALGSA-N 2 1 299.418 3.573 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000270655507 1127060067 /nfs/dbraw/zinc/06/00/67/1127060067.db2.gz NBYFMFBOVXUXQY-GUYCJALGSA-N 2 1 299.418 3.573 20 0 CHADMP CC1=CCC[NH+](CCCCCC[N@@H+]2CCC=C(C)C2)C1 ZINC000797998250 1131020749 /nfs/dbraw/zinc/02/07/49/1131020749.db2.gz DGDVHCPRCNGCEM-UHFFFAOYSA-N 2 1 276.468 3.851 20 0 CHADMP c1cn(-c2ccc(C[N@H+]3CC[C@@H]3c3ccccc3)cc2)cn1 ZINC000348528742 1127121476 /nfs/dbraw/zinc/12/14/76/1127121476.db2.gz ZYXGPKMPECKDMA-LJQANCHMSA-N 2 1 289.382 3.819 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc2ncccc2c1 ZINC000349363538 1127149402 /nfs/dbraw/zinc/14/94/02/1127149402.db2.gz FEUFJDGVCALZCM-UHFFFAOYSA-N 2 1 299.462 3.789 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](C)CCc1ccccc1 ZINC000349415205 1127150658 /nfs/dbraw/zinc/15/06/58/1127150658.db2.gz HXYDYGRSTONRED-QGZVFWFLSA-N 2 1 299.462 3.782 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](C)CCc1ccccc1 ZINC000349415205 1127150660 /nfs/dbraw/zinc/15/06/60/1127150660.db2.gz HXYDYGRSTONRED-QGZVFWFLSA-N 2 1 299.462 3.782 20 0 CHADMP Cc1ccc2ccnc(NC[C@@H]3CC[N@H+](C(C)C)C3)c2c1 ZINC000571758903 1127166280 /nfs/dbraw/zinc/16/62/80/1127166280.db2.gz YOLLGESMIAREAX-HNNXBMFYSA-N 2 1 283.419 3.685 20 0 CHADMP Cc1ccc2cc[nH+]c(NC[C@@H]3CC[N@@H+](C(C)C)C3)c2c1 ZINC000571758903 1127166282 /nfs/dbraw/zinc/16/62/82/1127166282.db2.gz YOLLGESMIAREAX-HNNXBMFYSA-N 2 1 283.419 3.685 20 0 CHADMP Cc1ccc2cc[nH+]c(NC[C@@H]3CC[N@H+](C(C)C)C3)c2c1 ZINC000571758903 1127166285 /nfs/dbraw/zinc/16/62/85/1127166285.db2.gz YOLLGESMIAREAX-HNNXBMFYSA-N 2 1 283.419 3.685 20 0 CHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@]2(CC=CCC2)C1 ZINC000351593842 1127196348 /nfs/dbraw/zinc/19/63/48/1127196348.db2.gz FJJZXDPNJJNYLU-MSOLQXFVSA-N 2 1 276.468 3.683 20 0 CHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000351593842 1127196349 /nfs/dbraw/zinc/19/63/49/1127196349.db2.gz FJJZXDPNJJNYLU-MSOLQXFVSA-N 2 1 276.468 3.683 20 0 CHADMP Cc1cccc(CC[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000572232782 1127196605 /nfs/dbraw/zinc/19/66/05/1127196605.db2.gz VCUPEGQTPIUQAO-UHFFFAOYSA-N 2 1 288.479 3.590 20 0 CHADMP C(C1CC1)[NH+]1CCC([N@H+]2CC[C@H](C3CCCCC3)C2)CC1 ZINC001168387550 1127214726 /nfs/dbraw/zinc/21/47/26/1127214726.db2.gz JXEMJDZJNCMKAL-SFHVURJKSA-N 2 1 290.495 3.763 20 0 CHADMP Cc1sccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000351813358 1127210494 /nfs/dbraw/zinc/21/04/94/1127210494.db2.gz QZZFOUCGPNQHND-DOTOQJQBSA-N 2 1 290.476 3.505 20 0 CHADMP Cc1sccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000351813358 1127210495 /nfs/dbraw/zinc/21/04/95/1127210495.db2.gz QZZFOUCGPNQHND-DOTOQJQBSA-N 2 1 290.476 3.505 20 0 CHADMP CC1=C[C@@H](C)C[NH+](CCCC[N@H+]2CC(C)=C[C@@H](C)C2)C1 ZINC000573204941 1127297412 /nfs/dbraw/zinc/29/74/12/1127297412.db2.gz ZKWLCFSVNFJMMA-NVXWUHKLSA-N 2 1 276.468 3.563 20 0 CHADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC3CCCCCC3)CC[C@H]21 ZINC000573486800 1127316814 /nfs/dbraw/zinc/31/68/14/1127316814.db2.gz RMDXMFWWXPQKLH-QZTJIDSGSA-N 2 1 278.484 3.763 20 0 CHADMP C[C@H](CCCC(F)(F)F)[NH2+][C@H](C)C[NH+]1CCCCCC1 ZINC000480693539 1127379302 /nfs/dbraw/zinc/37/93/02/1127379302.db2.gz CMFXHXBQHMDPLF-ZIAGYGMSSA-N 2 1 294.405 3.962 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC(F)(F)F)cc1 ZINC000358194186 1127407854 /nfs/dbraw/zinc/40/78/54/1127407854.db2.gz BJSIUACSLPFIJS-NSHDSACASA-N 2 1 297.324 3.784 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CCC2 ZINC000359059487 1127447053 /nfs/dbraw/zinc/44/70/53/1127447053.db2.gz AWBKVKYPMCZOAT-AFMYVXGZSA-N 2 1 298.474 3.979 20 0 CHADMP CC[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(Cl)cc1 ZINC000359219126 1127454511 /nfs/dbraw/zinc/45/45/11/1127454511.db2.gz NCVUOVWKLHFJTM-UHFFFAOYSA-N 2 1 280.843 3.552 20 0 CHADMP CC[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccc1Cl ZINC000359221285 1127454560 /nfs/dbraw/zinc/45/45/60/1127454560.db2.gz OQOMVYVSEALFBF-UHFFFAOYSA-N 2 1 280.843 3.552 20 0 CHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](CCC(C)C)C1CC1 ZINC000346129730 1127479064 /nfs/dbraw/zinc/47/90/64/1127479064.db2.gz GYUAEYLXBVWPHX-UHFFFAOYSA-N 2 1 298.434 3.586 20 0 CHADMP C[NH+](C)Cc1ccc(C[NH2+]Cc2ccsc2Cl)cc1 ZINC000359950952 1127484317 /nfs/dbraw/zinc/48/43/17/1127484317.db2.gz WLABHYXABNEMFC-UHFFFAOYSA-N 2 1 294.851 3.753 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC001308797986 1127485390 /nfs/dbraw/zinc/48/53/90/1127485390.db2.gz NUJQLYJWBNYYTP-BZUAXINKSA-N 2 1 254.462 3.665 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC001308797986 1127485391 /nfs/dbraw/zinc/48/53/91/1127485391.db2.gz NUJQLYJWBNYYTP-BZUAXINKSA-N 2 1 254.462 3.665 20 0 CHADMP C[C@H](C[NH2+][C@@H]1CC(C)(C)Cc2occc21)C[NH+]1CCCC1 ZINC000360430886 1127498923 /nfs/dbraw/zinc/49/89/23/1127498923.db2.gz ZMVKJMXSRDTAKV-GDBMZVCRSA-N 2 1 290.451 3.615 20 0 CHADMP CC(F)(F)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000293571189 1127505863 /nfs/dbraw/zinc/50/58/63/1127505863.db2.gz BHOJFNGAHKEZGN-JKSUJKDBSA-N 2 1 294.389 3.515 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](C)c2cccc(C3CC3)c2)CC1 ZINC000293583781 1127507095 /nfs/dbraw/zinc/50/70/95/1127507095.db2.gz FAOHFSBSAAKRLH-CQSZACIVSA-N 2 1 272.436 3.699 20 0 CHADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000360861886 1127515851 /nfs/dbraw/zinc/51/58/51/1127515851.db2.gz UHKGLONERBXMLG-NWDGAFQWSA-N 2 1 283.485 3.566 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](c3ccccc3F)C2)CC[N@@H+]1C ZINC000360920228 1127520086 /nfs/dbraw/zinc/52/00/86/1127520086.db2.gz OUYQOCQKLYLVTE-LVQVYYBASA-N 2 1 290.426 3.534 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](c3ccccc3F)C2)CC[N@H+]1C ZINC000360920228 1127520088 /nfs/dbraw/zinc/52/00/88/1127520088.db2.gz OUYQOCQKLYLVTE-LVQVYYBASA-N 2 1 290.426 3.534 20 0 CHADMP Cc1cc(N2CCC[N@H+](C(C)(C)C)CC2)c2ccccc2[nH+]1 ZINC000601514654 1127529609 /nfs/dbraw/zinc/52/96/09/1127529609.db2.gz WDHCGRIIXPSWCT-UHFFFAOYSA-N 2 1 297.446 3.854 20 0 CHADMP CC1=CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000294159214 1127553808 /nfs/dbraw/zinc/55/38/08/1127553808.db2.gz IMRWDYSYZABDLG-SFHVURJKSA-N 2 1 284.447 3.739 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(C2CC2)c1 ZINC000294563994 1127582428 /nfs/dbraw/zinc/58/24/28/1127582428.db2.gz BNRKQKMMCICLMK-DEYYWGMASA-N 2 1 272.436 3.697 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(C2CC2)c1 ZINC000294563994 1127582433 /nfs/dbraw/zinc/58/24/33/1127582433.db2.gz BNRKQKMMCICLMK-DEYYWGMASA-N 2 1 272.436 3.697 20 0 CHADMP Cc1ccc(CC[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000294962662 1127610839 /nfs/dbraw/zinc/61/08/39/1127610839.db2.gz ILDUSPGAHXLGTQ-UXDRXVOSSA-N 2 1 286.463 3.531 20 0 CHADMP CCC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000294970923 1127611791 /nfs/dbraw/zinc/61/17/91/1127611791.db2.gz JBJIDTSMRUIJKM-MVCQKVDPSA-N 2 1 286.463 3.785 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CC2=CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000401179726 1127640594 /nfs/dbraw/zinc/64/05/94/1127640594.db2.gz XSSVRAVORCVEHW-QFBILLFUSA-N 2 1 284.447 3.739 20 0 CHADMP CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1F ZINC000296000682 1127659614 /nfs/dbraw/zinc/65/96/14/1127659614.db2.gz QHQNJFDIZKNTJJ-DSZSVDOYSA-N 2 1 294.389 3.631 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CCC(C)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000296050004 1127662170 /nfs/dbraw/zinc/66/21/70/1127662170.db2.gz OMNZFZDKAYDCJF-GDBMZVCRSA-N 2 1 296.405 3.674 20 0 CHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000603823325 1127674192 /nfs/dbraw/zinc/67/41/92/1127674192.db2.gz PPUKVRXULYXIOR-DZVNLGKHSA-N 2 1 280.500 3.578 20 0 CHADMP Cc1ccccc1[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366431544 1127746147 /nfs/dbraw/zinc/74/61/47/1127746147.db2.gz KXCVVPBKRCBWII-GTPINHCMSA-N 2 1 272.436 3.663 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000371685198 1127775087 /nfs/dbraw/zinc/77/50/87/1127775087.db2.gz JXJIIADQMJOQSZ-VVWQDTPRSA-N 2 1 297.446 3.609 20 0 CHADMP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)CC1CC1 ZINC000411173391 1127845791 /nfs/dbraw/zinc/84/57/91/1127845791.db2.gz PTGZPOMCXSIPAB-UHFFFAOYSA-N 2 1 272.436 3.514 20 0 CHADMP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1CCC1 ZINC000411300734 1127853177 /nfs/dbraw/zinc/85/31/77/1127853177.db2.gz WKZGRKSXNMESEC-UHFFFAOYSA-N 2 1 272.436 3.657 20 0 CHADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(F)cc2Cl)CC1 ZINC000374324872 1127890700 /nfs/dbraw/zinc/89/07/00/1127890700.db2.gz NOGRCEMLFSGOCX-UHFFFAOYSA-N 2 1 296.817 3.539 20 0 CHADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(F)cc2Cl)CC1 ZINC000374324872 1127890704 /nfs/dbraw/zinc/89/07/04/1127890704.db2.gz NOGRCEMLFSGOCX-UHFFFAOYSA-N 2 1 296.817 3.539 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000535291864 1127911915 /nfs/dbraw/zinc/91/19/15/1127911915.db2.gz FYIFMSOZIYCSOL-DZGCQCFKSA-N 2 1 280.843 3.529 20 0 CHADMP C[NH+](CCCC[N@H+](C)CC(C)(C)C)CC(C)(C)C ZINC000535006742 1127908253 /nfs/dbraw/zinc/90/82/53/1127908253.db2.gz XSWBICNYNXGCOT-UHFFFAOYSA-N 2 1 256.478 3.722 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1ccccc1)C(C)(C)C ZINC000535465009 1127916067 /nfs/dbraw/zinc/91/60/67/1127916067.db2.gz XMBYEFQPNKNNTO-QGZVFWFLSA-N 2 1 274.452 3.771 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1ccccc1)C(C)(C)C ZINC000535465009 1127916070 /nfs/dbraw/zinc/91/60/70/1127916070.db2.gz XMBYEFQPNKNNTO-QGZVFWFLSA-N 2 1 274.452 3.771 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1ccccc1)C(C)(C)C ZINC000535465009 1127916072 /nfs/dbraw/zinc/91/60/72/1127916072.db2.gz XMBYEFQPNKNNTO-QGZVFWFLSA-N 2 1 274.452 3.771 20 0 CHADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000535466788 1127916631 /nfs/dbraw/zinc/91/66/31/1127916631.db2.gz YHRYMVCBZGVMDF-YOEHRIQHSA-N 2 1 294.870 3.687 20 0 CHADMP C[C@@H](Cc1ccc(Cl)cc1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000535466788 1127916632 /nfs/dbraw/zinc/91/66/32/1127916632.db2.gz YHRYMVCBZGVMDF-YOEHRIQHSA-N 2 1 294.870 3.687 20 0 CHADMP C[C@@H](Cc1ccc(Cl)cc1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000535466788 1127916633 /nfs/dbraw/zinc/91/66/33/1127916633.db2.gz YHRYMVCBZGVMDF-YOEHRIQHSA-N 2 1 294.870 3.687 20 0 CHADMP Cc1cccc([C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)c1C ZINC000535471141 1127916715 /nfs/dbraw/zinc/91/67/15/1127916715.db2.gz XLIQGRFLKOBHJW-HKUYNNGSSA-N 2 1 286.463 3.925 20 0 CHADMP Cc1cccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)c1C ZINC000535471141 1127916717 /nfs/dbraw/zinc/91/67/17/1127916717.db2.gz XLIQGRFLKOBHJW-HKUYNNGSSA-N 2 1 286.463 3.925 20 0 CHADMP Cc1cccc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)c1C ZINC000535471141 1127916720 /nfs/dbraw/zinc/91/67/20/1127916720.db2.gz XLIQGRFLKOBHJW-HKUYNNGSSA-N 2 1 286.463 3.925 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1cccc2ccccc21)[C@H]1CCC[NH2+]1 ZINC000400434133 1127928793 /nfs/dbraw/zinc/92/87/93/1127928793.db2.gz KUEYDEJUNIQVAP-PMUMKWKESA-N 2 1 268.404 3.631 20 0 CHADMP C[C@H]([NH2+][C@H](c1ccccc1)C(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000400429691 1127928958 /nfs/dbraw/zinc/92/89/58/1127928958.db2.gz ZSKXXPUGSFPLRQ-NUEKZKHPSA-N 2 1 260.425 3.504 20 0 CHADMP CC[N@H+]1CC[C@H](N(C)C/C=C\c2ccc(F)cc2)C[C@H]1C ZINC000539819064 1127943449 /nfs/dbraw/zinc/94/34/49/1127943449.db2.gz JPFMOYZMCRFMRG-XSRQRWQSSA-N 2 1 290.426 3.644 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C/C=C\c2ccc(F)cc2)C[C@H]1C ZINC000539819064 1127943454 /nfs/dbraw/zinc/94/34/54/1127943454.db2.gz JPFMOYZMCRFMRG-XSRQRWQSSA-N 2 1 290.426 3.644 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C/C=C\c2ccc(F)cc2)C[C@H]1C ZINC000539819064 1127943455 /nfs/dbraw/zinc/94/34/55/1127943455.db2.gz JPFMOYZMCRFMRG-XSRQRWQSSA-N 2 1 290.426 3.644 20 0 CHADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3CCC(C)(C)CC3)CC[C@H]21 ZINC000539897670 1127951947 /nfs/dbraw/zinc/95/19/47/1127951947.db2.gz VUXUSJDNPMFDCM-IAGOWNOFSA-N 2 1 278.484 3.619 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)c1 ZINC000539896587 1127952292 /nfs/dbraw/zinc/95/22/92/1127952292.db2.gz MBNDABLRDJELGR-UYAOXDASSA-N 2 1 298.474 3.752 20 0 CHADMP CCc1ccc(C2=CCN(CC[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000540056417 1127959050 /nfs/dbraw/zinc/95/90/50/1127959050.db2.gz PQSSURCPWLTYIH-FQEVSTJZSA-N 2 1 298.474 3.822 20 0 CHADMP CCc1ccc(C2=CC[N@H+](CC[C@@H]3CCC[NH+]3C)CC2)cc1 ZINC000540056417 1127959054 /nfs/dbraw/zinc/95/90/54/1127959054.db2.gz PQSSURCPWLTYIH-FQEVSTJZSA-N 2 1 298.474 3.822 20 0 CHADMP CCc1ccc(C2=CC[N@@H+](CC[C@@H]3CCC[NH+]3C)CC2)cc1 ZINC000540056417 1127959056 /nfs/dbraw/zinc/95/90/56/1127959056.db2.gz PQSSURCPWLTYIH-FQEVSTJZSA-N 2 1 298.474 3.822 20 0 CHADMP CCc1ccc(C2=CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000540056417 1127959058 /nfs/dbraw/zinc/95/90/58/1127959058.db2.gz PQSSURCPWLTYIH-FQEVSTJZSA-N 2 1 298.474 3.822 20 0 CHADMP CCc1ccc(C2=CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000540056417 1127959060 /nfs/dbraw/zinc/95/90/60/1127959060.db2.gz PQSSURCPWLTYIH-FQEVSTJZSA-N 2 1 298.474 3.822 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CC(CC)(CC)CC)[C@@H](C)C1 ZINC000540163442 1127966958 /nfs/dbraw/zinc/96/69/58/1127966958.db2.gz LQGBWGJYNPUFAC-LSDHHAIUSA-N 2 1 254.462 3.523 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC000540148169 1127964161 /nfs/dbraw/zinc/96/41/61/1127964161.db2.gz HWUFZWKYIOIJOM-CVEARBPZSA-N 2 1 292.442 3.844 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC000540148175 1127964488 /nfs/dbraw/zinc/96/44/88/1127964488.db2.gz HWUFZWKYIOIJOM-JKSUJKDBSA-N 2 1 292.442 3.844 20 0 CHADMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](C)Cc2ccccc2)CC1 ZINC000544407476 1127971958 /nfs/dbraw/zinc/97/19/58/1127971958.db2.gz ITAVAQCOVSVCNE-KRWDZBQOSA-N 2 1 288.479 3.670 20 0 CHADMP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000380413078 1127977296 /nfs/dbraw/zinc/97/72/96/1127977296.db2.gz AANORPLJJNMJHP-FFSVYQOJSA-N 2 1 296.817 3.601 20 0 CHADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000380413078 1127977298 /nfs/dbraw/zinc/97/72/98/1127977298.db2.gz AANORPLJJNMJHP-FFSVYQOJSA-N 2 1 296.817 3.601 20 0 CHADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccccc2)s1 ZINC000469850688 1128056175 /nfs/dbraw/zinc/05/61/75/1128056175.db2.gz WNONLEOTHLBTMS-KGLIPLIRSA-N 2 1 286.444 3.584 20 0 CHADMP C[N@H+](Cc1ccccc1-c1ccccc1)CC(C)(C)[NH3+] ZINC000469876082 1128056460 /nfs/dbraw/zinc/05/64/60/1128056460.db2.gz PLDJSSXVYIIPIH-UHFFFAOYSA-N 2 1 268.404 3.523 20 0 CHADMP C[N@@H+](Cc1ccccc1-c1ccccc1)CC(C)(C)[NH3+] ZINC000469876082 1128056464 /nfs/dbraw/zinc/05/64/64/1128056464.db2.gz PLDJSSXVYIIPIH-UHFFFAOYSA-N 2 1 268.404 3.523 20 0 CHADMP CC(C)CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000303209973 1128059810 /nfs/dbraw/zinc/05/98/10/1128059810.db2.gz QYONEGNIWBXOPO-QGZVFWFLSA-N 2 1 266.473 3.621 20 0 CHADMP CCC[C@@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000470016457 1128061510 /nfs/dbraw/zinc/06/15/10/1128061510.db2.gz GCHFYICMFAKQRN-HTUJPFKRSA-N 2 1 286.463 3.785 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000470198544 1128065843 /nfs/dbraw/zinc/06/58/43/1128065843.db2.gz SQHPSNJUUCTQJS-CABCVRRESA-N 2 1 294.870 3.765 20 0 CHADMP CC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(Cl)s1 ZINC000470251560 1128067004 /nfs/dbraw/zinc/06/70/04/1128067004.db2.gz BVGBNMDHGJPODQ-QWRGUYRKSA-N 2 1 274.861 3.782 20 0 CHADMP CC[C@@H]1CC[C@H](C)[NH+]1CCC[N@@H+]1[C@@H](C)CC[C@@H]1CC ZINC000557218118 1128094853 /nfs/dbraw/zinc/09/48/53/1128094853.db2.gz GCYIWJDWAQIGNB-LUKYLMHMSA-N 2 1 266.473 3.902 20 0 CHADMP CC[C@@H]1CC[C@H](C)[N@H+]1CCC[NH+]1[C@@H](C)CC[C@@H]1CC ZINC000557218118 1128094856 /nfs/dbraw/zinc/09/48/56/1128094856.db2.gz GCYIWJDWAQIGNB-LUKYLMHMSA-N 2 1 266.473 3.902 20 0 CHADMP CC[C@@H]1CC[C@H](C)[N@@H+]1CCC[NH+]1[C@@H](C)CC[C@@H]1CC ZINC000557218118 1128094859 /nfs/dbraw/zinc/09/48/59/1128094859.db2.gz GCYIWJDWAQIGNB-LUKYLMHMSA-N 2 1 266.473 3.902 20 0 CHADMP CCCCCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000924528731 1128102116 /nfs/dbraw/zinc/10/21/16/1128102116.db2.gz PXFOHXBBHOSGCQ-CSNJMZFVSA-N 2 1 296.499 3.577 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1coc2ccccc12 ZINC000924950698 1128117550 /nfs/dbraw/zinc/11/75/50/1128117550.db2.gz KBJMVEVJJPGEGL-KBPBESRZSA-N 2 1 297.402 3.925 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1coc2ccccc12 ZINC000925138749 1128122964 /nfs/dbraw/zinc/12/29/64/1128122964.db2.gz DGTHOVNOEMHOMP-RDBSUJKOSA-N 2 1 272.392 3.566 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1coc2ccccc12 ZINC000925138749 1128122966 /nfs/dbraw/zinc/12/29/66/1128122966.db2.gz DGTHOVNOEMHOMP-RDBSUJKOSA-N 2 1 272.392 3.566 20 0 CHADMP c1ccc([C@H]2C[C@@H]([NH2+]C3(C4CC4)CC3)CC[N@H+]2C2CC2)cc1 ZINC000925895815 1128145325 /nfs/dbraw/zinc/14/53/25/1128145325.db2.gz CQNHNUIRJKKRKC-PKOBYXMFSA-N 2 1 296.458 3.887 20 0 CHADMP c1ccc([C@H]2C[C@@H]([NH2+]C3(C4CC4)CC3)CC[N@@H+]2C2CC2)cc1 ZINC000925895815 1128145328 /nfs/dbraw/zinc/14/53/28/1128145328.db2.gz CQNHNUIRJKKRKC-PKOBYXMFSA-N 2 1 296.458 3.887 20 0 CHADMP CCC1([NH3+])CC[NH+]([C@H]2CCSc3ccc(F)cc32)CC1 ZINC000925758467 1128140919 /nfs/dbraw/zinc/14/09/19/1128140919.db2.gz CTPBGTISZKPQJA-AWEZNQCLSA-N 2 1 294.439 3.566 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc(C)c2C)CC1 ZINC001205103858 1128176539 /nfs/dbraw/zinc/17/65/39/1128176539.db2.gz WUHHOXHXMOTPGW-UHFFFAOYSA-N 2 1 288.479 4.000 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1cscn1 ZINC000926691689 1128188537 /nfs/dbraw/zinc/18/85/37/1128188537.db2.gz IRPKHDKUDFXNEV-QWHCGFSZSA-N 2 1 289.448 3.617 20 0 CHADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccccc2-c2cccs2)CC1 ZINC001205110345 1128195904 /nfs/dbraw/zinc/19/59/04/1128195904.db2.gz SRTRFPHVOWPSOI-HNNXBMFYSA-N 2 1 286.444 3.728 20 0 CHADMP CCCC(CCC)[NH+]1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001257340565 1128253298 /nfs/dbraw/zinc/25/32/98/1128253298.db2.gz KGHGRPSMZPBQGD-SFHVURJKSA-N 2 1 296.499 3.530 20 0 CHADMP Cc1ccc2cc([C@@H](C)[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)oc2c1 ZINC000495261294 1128255917 /nfs/dbraw/zinc/25/59/17/1128255917.db2.gz WKBHLIGKEFJLLT-CABCVRRESA-N 2 1 298.430 3.876 20 0 CHADMP Cc1ccc2cc([C@@H](C)[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)oc2c1 ZINC000495261294 1128255919 /nfs/dbraw/zinc/25/59/19/1128255919.db2.gz WKBHLIGKEFJLLT-CABCVRRESA-N 2 1 298.430 3.876 20 0 CHADMP [NH3+][C@H]1CCC[N@@H+](Cc2cc(-c3ccsc3)cs2)CC1 ZINC001205116976 1128229847 /nfs/dbraw/zinc/22/98/47/1128229847.db2.gz KFGZKBOLCXTLIA-AWEZNQCLSA-N 2 1 292.473 3.790 20 0 CHADMP CCC[C@H](C)[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257312340 1128230248 /nfs/dbraw/zinc/23/02/48/1128230248.db2.gz CUSMKLUAVCWAOH-KKUMJFAQSA-N 2 1 254.462 3.793 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[C@H]1C ZINC000495087055 1128230519 /nfs/dbraw/zinc/23/05/19/1128230519.db2.gz RUFYYOWZNNESCC-MDLJMBGESA-N 2 1 292.492 3.765 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[C@H]1C ZINC000495087055 1128230522 /nfs/dbraw/zinc/23/05/22/1128230522.db2.gz RUFYYOWZNNESCC-MDLJMBGESA-N 2 1 292.492 3.765 20 0 CHADMP CCC[C@H](C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21)c1ccccc1 ZINC000495127078 1128235422 /nfs/dbraw/zinc/23/54/22/1128235422.db2.gz KPWUJNBDLWYHLV-IPMKNSEASA-N 2 1 286.463 3.596 20 0 CHADMP CCC[C@H](C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21)c1ccccc1 ZINC000495127078 1128235426 /nfs/dbraw/zinc/23/54/26/1128235426.db2.gz KPWUJNBDLWYHLV-IPMKNSEASA-N 2 1 286.463 3.596 20 0 CHADMP CCC[C@H](C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21)c1ccccc1 ZINC000495127078 1128235431 /nfs/dbraw/zinc/23/54/31/1128235431.db2.gz KPWUJNBDLWYHLV-IPMKNSEASA-N 2 1 286.463 3.596 20 0 CHADMP CCC[C@H](C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21)c1ccccc1 ZINC000495127078 1128235433 /nfs/dbraw/zinc/23/54/33/1128235433.db2.gz KPWUJNBDLWYHLV-IPMKNSEASA-N 2 1 286.463 3.596 20 0 CHADMP CCC[C@H](C)[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001257327091 1128236607 /nfs/dbraw/zinc/23/66/07/1128236607.db2.gz GWYWKBVLQYDYEZ-HNNXBMFYSA-N 2 1 266.473 3.904 20 0 CHADMP FCc1ccccc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000929688060 1128282616 /nfs/dbraw/zinc/28/26/16/1128282616.db2.gz OPANRNPGEMXARX-SFHVURJKSA-N 2 1 290.426 3.606 20 0 CHADMP FCc1ccccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000929688060 1128282620 /nfs/dbraw/zinc/28/26/20/1128282620.db2.gz OPANRNPGEMXARX-SFHVURJKSA-N 2 1 290.426 3.606 20 0 CHADMP CC1(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)CCCCC1 ZINC001235173842 1128312359 /nfs/dbraw/zinc/31/23/59/1128312359.db2.gz RMGJHAYTIYINEO-QGZVFWFLSA-N 2 1 264.457 3.565 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C1CCCCCCC1 ZINC000762916131 1128326943 /nfs/dbraw/zinc/32/69/43/1128326943.db2.gz GBCYSSHJQSSDDJ-UHFFFAOYSA-N 2 1 263.429 3.626 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)C1CCCCCCC1 ZINC000762916131 1128326947 /nfs/dbraw/zinc/32/69/47/1128326947.db2.gz GBCYSSHJQSSDDJ-UHFFFAOYSA-N 2 1 263.429 3.626 20 0 CHADMP COC(C)(C)CCC[C@@H](C)CC[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235433672 1128330552 /nfs/dbraw/zinc/33/05/52/1128330552.db2.gz UYQGFITZBJZGQI-MRXNPFEDSA-N 2 1 298.515 3.539 20 0 CHADMP CC(C)Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000322932994 1128351469 /nfs/dbraw/zinc/35/14/69/1128351469.db2.gz OVSRSNUFBVLCQC-YQQQUEKLSA-N 2 1 286.463 3.600 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](c1ccccc1)C(C)C ZINC000561979879 1128366830 /nfs/dbraw/zinc/36/68/30/1128366830.db2.gz IJFRIGPXYPPSHY-IBGZPJMESA-N 2 1 299.462 3.953 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](c1ccccc1)C(C)C ZINC000561979879 1128366833 /nfs/dbraw/zinc/36/68/33/1128366833.db2.gz IJFRIGPXYPPSHY-IBGZPJMESA-N 2 1 299.462 3.953 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000562019333 1128371572 /nfs/dbraw/zinc/37/15/72/1128371572.db2.gz JYENNXNPVXIBGT-WOJBJXKFSA-N 2 1 298.474 3.738 20 0 CHADMP C[C@H](C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C(C)(C)C ZINC000670266540 1128378004 /nfs/dbraw/zinc/37/80/04/1128378004.db2.gz JZIYBXXIYIRLMJ-JKSUJKDBSA-N 2 1 268.489 3.770 20 0 CHADMP C[C@@H](C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C(C)(C)C ZINC000670266538 1128378394 /nfs/dbraw/zinc/37/83/94/1128378394.db2.gz JZIYBXXIYIRLMJ-HOTGVXAUSA-N 2 1 268.489 3.770 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC1(C)C ZINC000397695088 1128379323 /nfs/dbraw/zinc/37/93/23/1128379323.db2.gz YROUGUZOFDYWRC-RYQLBKOJSA-N 2 1 286.463 3.533 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCCC[C@H]2C)C1 ZINC000562522489 1128408039 /nfs/dbraw/zinc/40/80/39/1128408039.db2.gz GMIRLWPQSWQHHC-TWMKSMIVSA-N 2 1 266.473 3.521 20 0 CHADMP CCC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000562778811 1128420152 /nfs/dbraw/zinc/42/01/52/1128420152.db2.gz JZABQJAHJFGSEO-HUUCEWRRSA-N 2 1 254.462 3.521 20 0 CHADMP CCCCc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000037266999 1128428745 /nfs/dbraw/zinc/42/87/45/1128428745.db2.gz YNPUEHMNGKXPFQ-OAHLLOKOSA-N 2 1 274.452 3.774 20 0 CHADMP CCCc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000037643996 1128434021 /nfs/dbraw/zinc/43/40/21/1128434021.db2.gz HGGLQSQSYCLCSM-RDJZCZTQSA-N 2 1 274.452 3.632 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCC(C(C)(C)C)CC2)C1 ZINC000037643796 1128434220 /nfs/dbraw/zinc/43/42/20/1128434220.db2.gz SFBUNQBTJXLMII-FHERZECASA-N 2 1 266.473 3.523 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC000037772121 1128435388 /nfs/dbraw/zinc/43/53/88/1128435388.db2.gz TUZDKYQBBYEBKW-XYTVBORESA-N 2 1 272.436 3.579 20 0 CHADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1Cl)C[NH+]1CCCC1 ZINC000062078723 1128437094 /nfs/dbraw/zinc/43/70/94/1128437094.db2.gz NPWQLMSXTMUCHP-STQMWFEESA-N 2 1 298.833 3.862 20 0 CHADMP CCCC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccccc1 ZINC000038098160 1128437943 /nfs/dbraw/zinc/43/79/43/1128437943.db2.gz JFWNLADNQMDQFY-GOSISDBHSA-N 2 1 274.452 3.992 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000125469070 1128449896 /nfs/dbraw/zinc/44/98/96/1128449896.db2.gz WSHYRSSCSLERRQ-MRXNPFEDSA-N 2 1 285.435 3.973 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000125469070 1128449897 /nfs/dbraw/zinc/44/98/97/1128449897.db2.gz WSHYRSSCSLERRQ-MRXNPFEDSA-N 2 1 285.435 3.973 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000125469238 1128449926 /nfs/dbraw/zinc/44/99/26/1128449926.db2.gz WSHYRSSCSLERRQ-INIZCTEOSA-N 2 1 285.435 3.973 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000125469238 1128449930 /nfs/dbraw/zinc/44/99/30/1128449930.db2.gz WSHYRSSCSLERRQ-INIZCTEOSA-N 2 1 285.435 3.973 20 0 CHADMP CCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000563119646 1128450766 /nfs/dbraw/zinc/45/07/66/1128450766.db2.gz BEBBRTDVHLNYIM-SFHVURJKSA-N 2 1 298.474 3.963 20 0 CHADMP CCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000563119646 1128450770 /nfs/dbraw/zinc/45/07/70/1128450770.db2.gz BEBBRTDVHLNYIM-SFHVURJKSA-N 2 1 298.474 3.963 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)o1 ZINC000126001636 1128460462 /nfs/dbraw/zinc/46/04/62/1128460462.db2.gz PLHZDDFPSDELBV-HIFRSBDPSA-N 2 1 266.429 3.605 20 0 CHADMP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](CC2CCC2)CC1 ZINC001202775761 1128462581 /nfs/dbraw/zinc/46/25/81/1128462581.db2.gz JAHNPQJKIWRNQT-UHFFFAOYSA-N 2 1 290.426 3.522 20 0 CHADMP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](CC2CCC2)CC1 ZINC001202775761 1128462584 /nfs/dbraw/zinc/46/25/84/1128462584.db2.gz JAHNPQJKIWRNQT-UHFFFAOYSA-N 2 1 290.426 3.522 20 0 CHADMP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CCC2)C3)cc1 ZINC001202776213 1128463918 /nfs/dbraw/zinc/46/39/18/1128463918.db2.gz ONMIZKVOSNMXQY-FQEVSTJZSA-N 2 1 298.474 3.775 20 0 CHADMP c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCC2)C3)cc1 ZINC001202776213 1128463921 /nfs/dbraw/zinc/46/39/21/1128463921.db2.gz ONMIZKVOSNMXQY-FQEVSTJZSA-N 2 1 298.474 3.775 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCC2)C3)cc1 ZINC001202776213 1128463922 /nfs/dbraw/zinc/46/39/22/1128463922.db2.gz ONMIZKVOSNMXQY-FQEVSTJZSA-N 2 1 298.474 3.775 20 0 CHADMP CC[N@H+](CCCn1cc[nH+]c1C)[C@@H](C)c1ccc(F)cc1 ZINC000127313349 1128475585 /nfs/dbraw/zinc/47/55/85/1128475585.db2.gz NDBPEESLSGHZEF-AWEZNQCLSA-N 2 1 289.398 3.804 20 0 CHADMP CC[N@@H+](CCCn1cc[nH+]c1C)[C@@H](C)c1ccc(F)cc1 ZINC000127313349 1128475588 /nfs/dbraw/zinc/47/55/88/1128475588.db2.gz NDBPEESLSGHZEF-AWEZNQCLSA-N 2 1 289.398 3.804 20 0 CHADMP CC(C)c1ccc(CCC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000127954356 1128484271 /nfs/dbraw/zinc/48/42/71/1128484271.db2.gz KOWLLPDMSHSONL-APWZRJJASA-N 2 1 288.479 3.672 20 0 CHADMP CCC1CC([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000564067287 1128492177 /nfs/dbraw/zinc/49/21/77/1128492177.db2.gz SGKCUWWPIFLPEB-MEWCUZTCSA-N 2 1 286.463 3.675 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000564426866 1128508403 /nfs/dbraw/zinc/50/84/03/1128508403.db2.gz YRVQMRRJFBEIAQ-YSTOQKLRSA-N 2 1 298.474 3.881 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000564426866 1128508405 /nfs/dbraw/zinc/50/84/05/1128508405.db2.gz YRVQMRRJFBEIAQ-YSTOQKLRSA-N 2 1 298.474 3.881 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000564426866 1128508409 /nfs/dbraw/zinc/50/84/09/1128508409.db2.gz YRVQMRRJFBEIAQ-YSTOQKLRSA-N 2 1 298.474 3.881 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](F)C2)C[C@@H]1c1ccccc1 ZINC000564965913 1128517566 /nfs/dbraw/zinc/51/75/66/1128517566.db2.gz MGUAPLJIGHTJJJ-XWTMOSNGSA-N 2 1 290.426 3.692 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](F)C2)C[C@@H]1c1ccccc1 ZINC000564965913 1128517569 /nfs/dbraw/zinc/51/75/69/1128517569.db2.gz MGUAPLJIGHTJJJ-XWTMOSNGSA-N 2 1 290.426 3.692 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC23CCCC3)C[C@@H]1c1ccccc1 ZINC000556177848 1128560455 /nfs/dbraw/zinc/56/04/55/1128560455.db2.gz OUIKQAGVLJUXLC-KSZLIROESA-N 2 1 284.447 3.744 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CC23CCCC3)C[C@@H]1c1ccccc1 ZINC000556177848 1128560457 /nfs/dbraw/zinc/56/04/57/1128560457.db2.gz OUIKQAGVLJUXLC-KSZLIROESA-N 2 1 284.447 3.744 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c2ccccc21 ZINC000129598769 1128545621 /nfs/dbraw/zinc/54/56/21/1128545621.db2.gz YDGFBBCVXJRJTD-NONVJHHQSA-N 2 1 272.436 3.555 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c2ccccc21 ZINC000129598769 1128545623 /nfs/dbraw/zinc/54/56/23/1128545623.db2.gz YDGFBBCVXJRJTD-NONVJHHQSA-N 2 1 272.436 3.555 20 0 CHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC2(C)CCC2)C1 ZINC000556105231 1128547256 /nfs/dbraw/zinc/54/72/56/1128547256.db2.gz VDJDHWVMNDNXAQ-IAGOWNOFSA-N 2 1 278.484 3.763 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC2(C)CCC2)C1 ZINC000556105231 1128547260 /nfs/dbraw/zinc/54/72/60/1128547260.db2.gz VDJDHWVMNDNXAQ-IAGOWNOFSA-N 2 1 278.484 3.763 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC2(C)CCC2)C1 ZINC000556105231 1128547263 /nfs/dbraw/zinc/54/72/63/1128547263.db2.gz VDJDHWVMNDNXAQ-IAGOWNOFSA-N 2 1 278.484 3.763 20 0 CHADMP CC1(C)CC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC(C)(C)C1 ZINC000129689823 1128550699 /nfs/dbraw/zinc/55/06/99/1128550699.db2.gz SMBBHMRQAAMPJM-AWEZNQCLSA-N 2 1 278.484 3.665 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCC2(C)C)C[C@H]1c1ccccc1 ZINC000556192827 1128561854 /nfs/dbraw/zinc/56/18/54/1128561854.db2.gz AODOKZUTHIFTFU-ULQDDVLXSA-N 2 1 272.436 3.600 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCC2(C)C)C[C@H]1c1ccccc1 ZINC000556192827 1128561858 /nfs/dbraw/zinc/56/18/58/1128561858.db2.gz AODOKZUTHIFTFU-ULQDDVLXSA-N 2 1 272.436 3.600 20 0 CHADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCCCCC2)C1 ZINC000556214764 1128564310 /nfs/dbraw/zinc/56/43/10/1128564310.db2.gz LDGCPHPBMLHFIX-HNNXBMFYSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCCCCC2)C1 ZINC000556214764 1128564313 /nfs/dbraw/zinc/56/43/13/1128564313.db2.gz LDGCPHPBMLHFIX-HNNXBMFYSA-N 2 1 266.473 3.809 20 0 CHADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(SC)s1 ZINC000567529832 1128566075 /nfs/dbraw/zinc/56/60/75/1128566075.db2.gz KXFMEVQVPGLRFY-UHFFFAOYSA-N 2 1 286.510 3.634 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(SC)s1 ZINC000567529832 1128566079 /nfs/dbraw/zinc/56/60/79/1128566079.db2.gz KXFMEVQVPGLRFY-UHFFFAOYSA-N 2 1 286.510 3.634 20 0 CHADMP CC[NH2+]CCC[NH2+][C@H](c1ccccc1)c1ccc(C)cc1 ZINC000567638879 1128569406 /nfs/dbraw/zinc/56/94/06/1128569406.db2.gz QFJCRHCFEYOMNT-LJQANCHMSA-N 2 1 282.431 3.674 20 0 CHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCC[C@H]2F)CC1 ZINC000556259822 1128570171 /nfs/dbraw/zinc/57/01/71/1128570171.db2.gz IYSZEZXZYGBLJS-MXASKKJJSA-N 2 1 282.447 3.510 20 0 CHADMP CC1=C(C)C[C@H]([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000638377136 1128577410 /nfs/dbraw/zinc/57/74/10/1128577410.db2.gz NOWUSSCJNVKLQT-XWTMOSNGSA-N 2 1 276.468 3.728 20 0 CHADMP C[C@@H](c1ccccc1)[N@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000568165823 1128579048 /nfs/dbraw/zinc/57/90/48/1128579048.db2.gz YNPFMODLOYRPBK-HNNXBMFYSA-N 2 1 283.419 3.578 20 0 CHADMP C[C@@H](c1ccccc1)[N@@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000568165823 1128579050 /nfs/dbraw/zinc/57/90/50/1128579050.db2.gz YNPFMODLOYRPBK-HNNXBMFYSA-N 2 1 283.419 3.578 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCC2CCCC2)C1 ZINC000568564737 1128587700 /nfs/dbraw/zinc/58/77/00/1128587700.db2.gz ARDCUSGGMWZIKA-DOTOQJQBSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236214517 1128617113 /nfs/dbraw/zinc/61/71/13/1128617113.db2.gz FDVCPAYFIXOJLR-HOTGVXAUSA-N 2 1 280.843 3.659 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236214517 1128617115 /nfs/dbraw/zinc/61/71/15/1128617115.db2.gz FDVCPAYFIXOJLR-HOTGVXAUSA-N 2 1 280.843 3.659 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000570599041 1128627228 /nfs/dbraw/zinc/62/72/28/1128627228.db2.gz ATVUHMPPBDBBJW-NXVRBGIVSA-N 2 1 292.442 3.782 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000570599041 1128627231 /nfs/dbraw/zinc/62/72/31/1128627231.db2.gz ATVUHMPPBDBBJW-NXVRBGIVSA-N 2 1 292.442 3.782 20 0 CHADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc3ccccc3c2)C1 ZINC000571924244 1128639781 /nfs/dbraw/zinc/63/97/81/1128639781.db2.gz FRIPYTIHRPDDTL-VQTJNVASSA-N 2 1 294.442 3.756 20 0 CHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc3ccccc3c2)C1 ZINC000571924244 1128639782 /nfs/dbraw/zinc/63/97/82/1128639782.db2.gz FRIPYTIHRPDDTL-VQTJNVASSA-N 2 1 294.442 3.756 20 0 CHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc3ccccc3c2)C1 ZINC000571924244 1128639783 /nfs/dbraw/zinc/63/97/83/1128639783.db2.gz FRIPYTIHRPDDTL-VQTJNVASSA-N 2 1 294.442 3.756 20 0 CHADMP CC1=CC[C@H]([NH2+]CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000573707363 1128657067 /nfs/dbraw/zinc/65/70/67/1128657067.db2.gz YIWMYIRSKOSJDF-SJORKVTESA-N 2 1 264.457 3.729 20 0 CHADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000577836726 1128692054 /nfs/dbraw/zinc/69/20/54/1128692054.db2.gz MBXXABNCUSLTOM-KBPBESRZSA-N 2 1 282.859 3.762 20 0 CHADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000577836726 1128692056 /nfs/dbraw/zinc/69/20/56/1128692056.db2.gz MBXXABNCUSLTOM-KBPBESRZSA-N 2 1 282.859 3.762 20 0 CHADMP CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000578513866 1128720117 /nfs/dbraw/zinc/72/01/17/1128720117.db2.gz POSDZQTZSVWRDY-RYQLBKOJSA-N 2 1 278.484 3.689 20 0 CHADMP Cc1cccc(C)c1[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000578733246 1128727441 /nfs/dbraw/zinc/72/74/41/1128727441.db2.gz KBWSIKKVZKVVKI-HNNXBMFYSA-N 2 1 272.436 3.581 20 0 CHADMP Cc1cc(Cl)ccc1CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339439163 1117791544 /nfs/dbraw/zinc/79/15/44/1117791544.db2.gz RVEICJYLBCZUAD-QGZVFWFLSA-N 2 1 292.854 3.566 20 0 CHADMP Cc1cc(Cl)ccc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339439163 1117791550 /nfs/dbraw/zinc/79/15/50/1117791550.db2.gz RVEICJYLBCZUAD-QGZVFWFLSA-N 2 1 292.854 3.566 20 0 CHADMP Cc1cc(Cl)ccc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339439163 1117791554 /nfs/dbraw/zinc/79/15/54/1117791554.db2.gz RVEICJYLBCZUAD-QGZVFWFLSA-N 2 1 292.854 3.566 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339439163 1117791560 /nfs/dbraw/zinc/79/15/60/1117791560.db2.gz RVEICJYLBCZUAD-QGZVFWFLSA-N 2 1 292.854 3.566 20 0 CHADMP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339439163 1117791563 /nfs/dbraw/zinc/79/15/63/1117791563.db2.gz RVEICJYLBCZUAD-QGZVFWFLSA-N 2 1 292.854 3.566 20 0 CHADMP CC(C)C[C@H](C)C[C@@H](C)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001258072984 1128735784 /nfs/dbraw/zinc/73/57/84/1128735784.db2.gz ADXPHAZQCFOUQR-LSDHHAIUSA-N 2 1 277.456 3.983 20 0 CHADMP CCC1CC([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000579014809 1128736136 /nfs/dbraw/zinc/73/61/36/1128736136.db2.gz HZAQMJMBFWUJKY-DQPZFDDXSA-N 2 1 264.457 3.562 20 0 CHADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCC3CCCCC3)CC[C@H]21 ZINC000579057150 1128737135 /nfs/dbraw/zinc/73/71/35/1128737135.db2.gz RDGZHWITBGMNMO-QZTJIDSGSA-N 2 1 278.484 3.763 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(Cl)cc1 ZINC000623336835 1117834521 /nfs/dbraw/zinc/83/45/21/1117834521.db2.gz HWULCKCRXJLEAH-WFASDCNBSA-N 2 1 280.843 3.863 20 0 CHADMP CC(C)[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623343532 1117836325 /nfs/dbraw/zinc/83/63/25/1117836325.db2.gz YXDNNTHIPYEFSD-DLBZAZTESA-N 2 1 292.442 3.985 20 0 CHADMP CC(C)[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623351100 1117839836 /nfs/dbraw/zinc/83/98/36/1117839836.db2.gz AYCYTOKTRNZBPB-ZWKOTPCHSA-N 2 1 288.479 3.889 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2csc3ccccc23)CC1(C)C ZINC000623360102 1117840827 /nfs/dbraw/zinc/84/08/27/1117840827.db2.gz VHCBOANVCBMCGL-CQSZACIVSA-N 2 1 288.460 3.864 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)[C@@H]1C[C@H]1C1CC1 ZINC000623358060 1117841312 /nfs/dbraw/zinc/84/13/12/1117841312.db2.gz MPLZJICUJIHWTP-MVJTYMMSSA-N 2 1 278.484 3.665 20 0 CHADMP C[C@H](CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623387783 1117848341 /nfs/dbraw/zinc/84/83/41/1117848341.db2.gz VSBFYFZERNZKSV-WBVHZDCISA-N 2 1 274.452 3.643 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(C)(C)c1ccccc1 ZINC000623399519 1117849810 /nfs/dbraw/zinc/84/98/10/1117849810.db2.gz POLPNNFYELKNSL-DOTOQJQBSA-N 2 1 288.479 3.815 20 0 CHADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623400573 1117851466 /nfs/dbraw/zinc/85/14/66/1117851466.db2.gz YIEFEFZTRLCMSA-JYJNAYRXSA-N 2 1 266.473 3.664 20 0 CHADMP C[N@H+]1CC[C@H](NC2(c3ccc(Cl)cc3)CC2)CC1(C)C ZINC000623415294 1117852543 /nfs/dbraw/zinc/85/25/43/1117852543.db2.gz GRDZYWMRFLKGQY-HNNXBMFYSA-N 2 1 292.854 3.792 20 0 CHADMP CN1CC[C@H]([NH2+]C2(c3ccc(Cl)cc3)CC2)CC1(C)C ZINC000623415294 1117852546 /nfs/dbraw/zinc/85/25/46/1117852546.db2.gz GRDZYWMRFLKGQY-HNNXBMFYSA-N 2 1 292.854 3.792 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]C2(c3ccc(Cl)cc3)CC2)CC1(C)C ZINC000623415294 1117852550 /nfs/dbraw/zinc/85/25/50/1117852550.db2.gz GRDZYWMRFLKGQY-HNNXBMFYSA-N 2 1 292.854 3.792 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C2(c3ccc(Cl)cc3)CC2)CC1(C)C ZINC000623415294 1117852553 /nfs/dbraw/zinc/85/25/53/1117852553.db2.gz GRDZYWMRFLKGQY-HNNXBMFYSA-N 2 1 292.854 3.792 20 0 CHADMP CC[C@H]1CC[N@@H+]1CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000430198788 1117853718 /nfs/dbraw/zinc/85/37/18/1117853718.db2.gz PZFVVEAJEAONNW-KRWDZBQOSA-N 2 1 274.452 3.629 20 0 CHADMP CC[C@H]1CC[N@H+]1CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000430198788 1117853725 /nfs/dbraw/zinc/85/37/25/1117853725.db2.gz PZFVVEAJEAONNW-KRWDZBQOSA-N 2 1 274.452 3.629 20 0 CHADMP CC[C@H]1CC[NH+]1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000430198788 1117853731 /nfs/dbraw/zinc/85/37/31/1117853731.db2.gz PZFVVEAJEAONNW-KRWDZBQOSA-N 2 1 274.452 3.629 20 0 CHADMP CSc1ccc(F)cc1CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623437036 1117854274 /nfs/dbraw/zinc/85/42/74/1117854274.db2.gz PEHKEFGFAJKWPU-CQSZACIVSA-N 2 1 296.455 3.510 20 0 CHADMP CSc1ccc(F)cc1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623437036 1117854278 /nfs/dbraw/zinc/85/42/78/1117854278.db2.gz PEHKEFGFAJKWPU-CQSZACIVSA-N 2 1 296.455 3.510 20 0 CHADMP CSc1ccc(F)cc1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623437036 1117854283 /nfs/dbraw/zinc/85/42/83/1117854283.db2.gz PEHKEFGFAJKWPU-CQSZACIVSA-N 2 1 296.455 3.510 20 0 CHADMP Cc1cccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1C ZINC000623420816 1117854432 /nfs/dbraw/zinc/85/44/32/1117854432.db2.gz PGELICKWPCGAII-HZPDHXFCSA-N 2 1 274.452 3.827 20 0 CHADMP CSc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623514398 1117864960 /nfs/dbraw/zinc/86/49/60/1117864960.db2.gz MLLMHBQRJFFGSH-ZIAGYGMSSA-N 2 1 292.492 3.932 20 0 CHADMP CSc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623514398 1117864964 /nfs/dbraw/zinc/86/49/64/1117864964.db2.gz MLLMHBQRJFFGSH-ZIAGYGMSSA-N 2 1 292.492 3.932 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000579185598 1128741065 /nfs/dbraw/zinc/74/10/65/1128741065.db2.gz ZJIVTBYNGOHXKE-SFHVURJKSA-N 2 1 274.452 3.848 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000178025592 1117884283 /nfs/dbraw/zinc/88/42/83/1117884283.db2.gz IZILCNJLZCSCCV-GQIGUUNPSA-N 2 1 296.458 3.701 20 0 CHADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000178699302 1117895776 /nfs/dbraw/zinc/89/57/76/1117895776.db2.gz VKPXBRVYGVEBLZ-LPHOPBHVSA-N 2 1 299.462 3.747 20 0 CHADMP CCC[C@H](C)C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236371825 1128742765 /nfs/dbraw/zinc/74/27/65/1128742765.db2.gz NPKFKXQDZOCDHD-JKSUJKDBSA-N 2 1 266.473 3.667 20 0 CHADMP C[N@@H+](CCC1CC1)C1CC[NH+](C2CCCCC2)CC1 ZINC001208687421 1117911823 /nfs/dbraw/zinc/91/18/23/1117911823.db2.gz SUIWQTRRNCQSJG-UHFFFAOYSA-N 2 1 264.457 3.515 20 0 CHADMP CC/C=C\CC[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001208727894 1117920612 /nfs/dbraw/zinc/92/06/12/1117920612.db2.gz USEAPZFISNUIAG-ARJAWSKDSA-N 2 1 276.468 3.683 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2(c3ccc(Cl)cc3)CCC2)CC[N@@H+]1C ZINC000180355589 1117928557 /nfs/dbraw/zinc/92/85/57/1117928557.db2.gz CYPSMFXOKLFXCK-BBRMVZONSA-N 2 1 292.854 3.792 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2(c3ccc(Cl)cc3)CCC2)CC[N@H+]1C ZINC000180355589 1117928560 /nfs/dbraw/zinc/92/85/60/1117928560.db2.gz CYPSMFXOKLFXCK-BBRMVZONSA-N 2 1 292.854 3.792 20 0 CHADMP CCC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cc(C)sc1C ZINC000623964046 1117962858 /nfs/dbraw/zinc/96/28/58/1117962858.db2.gz XXKKTCNXQFRLLH-MRXNPFEDSA-N 2 1 291.464 3.772 20 0 CHADMP C[C@@H]1[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC000624122314 1117984541 /nfs/dbraw/zinc/98/45/41/1117984541.db2.gz OCFFNVKPZWAHKS-QFHJOOASSA-N 2 1 286.463 3.500 20 0 CHADMP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000624120947 1117985168 /nfs/dbraw/zinc/98/51/68/1117985168.db2.gz KOOBHLYFMIJLOT-SJORKVTESA-N 2 1 274.452 3.686 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(C)c1 ZINC000624119551 1117985602 /nfs/dbraw/zinc/98/56/02/1117985602.db2.gz DXJMZTXMBHHISL-SJORKVTESA-N 2 1 274.452 3.686 20 0 CHADMP Cc1cccc(CC[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000624120667 1117985737 /nfs/dbraw/zinc/98/57/37/1117985737.db2.gz DPHCEYKUJMPWOZ-MJGOQNOKSA-N 2 1 288.479 3.638 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H]3C=CCCC3)CC23CC3)cc1 ZINC000579472657 1128749032 /nfs/dbraw/zinc/74/90/32/1128749032.db2.gz HYOPWQDAEBMBNH-OALUTQOASA-N 2 1 296.458 3.882 20 0 CHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@H]3C=CCCC3)CC23CC3)cc1 ZINC000579472657 1128749035 /nfs/dbraw/zinc/74/90/35/1128749035.db2.gz HYOPWQDAEBMBNH-OALUTQOASA-N 2 1 296.458 3.882 20 0 CHADMP CC(C)(C)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037408232 1118012341 /nfs/dbraw/zinc/01/23/41/1118012341.db2.gz HVYGSQCTGSUPMN-INIZCTEOSA-N 2 1 286.463 3.558 20 0 CHADMP CSc1cccc(Cl)c1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206812546 1118019211 /nfs/dbraw/zinc/01/92/11/1118019211.db2.gz ZJQQXMIDXWCSQQ-RYUDHWBXSA-N 2 1 298.883 3.621 20 0 CHADMP CSc1cccc(Cl)c1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206812546 1118019217 /nfs/dbraw/zinc/01/92/17/1118019217.db2.gz ZJQQXMIDXWCSQQ-RYUDHWBXSA-N 2 1 298.883 3.621 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccc(Cl)cc1 ZINC000037644079 1118033895 /nfs/dbraw/zinc/03/38/95/1118033895.db2.gz QMZLUPMQQXYCKX-BBRMVZONSA-N 2 1 280.843 3.723 20 0 CHADMP C[C@H]1CCC[N@@H+](Cc2cccc(C(F)F)c2)[C@H]1CC[NH3+] ZINC000404426093 1118064672 /nfs/dbraw/zinc/06/46/72/1118064672.db2.gz LUZWPVGFSLZYDG-WFASDCNBSA-N 2 1 282.378 3.574 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(C2CC2)c1 ZINC000340175832 1118098691 /nfs/dbraw/zinc/09/86/91/1118098691.db2.gz RCQZHMSSVNEHPQ-CABCVRRESA-N 2 1 284.447 3.699 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2csc3ccccc23)C1 ZINC000049949239 1118134157 /nfs/dbraw/zinc/13/41/57/1118134157.db2.gz HXEQDGOBBHARQF-AWEZNQCLSA-N 2 1 288.460 3.721 20 0 CHADMP CC[N@H+](CC[NH2+][C@@H]1CCCC(C)(C)CC1)C(C)C ZINC001649038644 1118157054 /nfs/dbraw/zinc/15/70/54/1118157054.db2.gz QMVNOZNKAMYGJQ-OAHLLOKOSA-N 2 1 254.462 3.665 20 0 CHADMP CC[N@@H+](CC[NH2+][C@@H]1CCCC(C)(C)CC1)C(C)C ZINC001649038644 1118157055 /nfs/dbraw/zinc/15/70/55/1118157055.db2.gz QMVNOZNKAMYGJQ-OAHLLOKOSA-N 2 1 254.462 3.665 20 0 CHADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225877774 1118168038 /nfs/dbraw/zinc/16/80/38/1118168038.db2.gz UHVJWNUOGIZLET-FGTMMUONSA-N 2 1 272.436 3.602 20 0 CHADMP c1sc(C[NH2+]CCC[NH+]2CCC2)cc1-c1ccccc1 ZINC000655755208 1118203278 /nfs/dbraw/zinc/20/32/78/1118203278.db2.gz SKZHEOCWCIMFFJ-UHFFFAOYSA-N 2 1 286.444 3.601 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[C@@H](C)SC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000655750398 1118203358 /nfs/dbraw/zinc/20/33/58/1118203358.db2.gz AEYIZONCNPBFKY-FPCVCCKLSA-N 2 1 296.524 3.513 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841366 1118234380 /nfs/dbraw/zinc/23/43/80/1118234380.db2.gz NFXBEFAAFXVGQI-ZIAGYGMSSA-N 2 1 280.843 3.675 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CCCN(C)C1 ZINC000118841366 1118234375 /nfs/dbraw/zinc/23/43/75/1118234375.db2.gz NFXBEFAAFXVGQI-ZIAGYGMSSA-N 2 1 280.843 3.675 20 0 CHADMP Cc1ccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(Cl)c1 ZINC000655940356 1118276037 /nfs/dbraw/zinc/27/60/37/1118276037.db2.gz SCBYXPCDXYXNQR-CQSZACIVSA-N 2 1 292.854 3.612 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000157891820 1118281960 /nfs/dbraw/zinc/28/19/60/1118281960.db2.gz NYDYZZBQWFFYFT-HZPDHXFCSA-N 2 1 296.499 3.577 20 0 CHADMP C[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000226384226 1118299247 /nfs/dbraw/zinc/29/92/47/1118299247.db2.gz FDRXYHMDSMRQCH-MAEOIBBWSA-N 2 1 286.463 3.819 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc2ccccc2c1 ZINC000069754371 1118370541 /nfs/dbraw/zinc/37/05/41/1118370541.db2.gz JIRDZCMGVOXLMG-UHFFFAOYSA-N 2 1 279.387 3.525 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCc2ccc3ccccc3c2)C1 ZINC000072858269 1118376562 /nfs/dbraw/zinc/37/65/62/1118376562.db2.gz IIHUEYKNZTYEDX-SFHVURJKSA-N 2 1 296.458 3.656 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCc2ccc3ccccc3c2)C1 ZINC000072858269 1118376568 /nfs/dbraw/zinc/37/65/68/1118376568.db2.gz IIHUEYKNZTYEDX-SFHVURJKSA-N 2 1 296.458 3.656 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000072858269 1118376571 /nfs/dbraw/zinc/37/65/71/1118376571.db2.gz IIHUEYKNZTYEDX-SFHVURJKSA-N 2 1 296.458 3.656 20 0 CHADMP C[N@H+]1CCC[C@H]([NH2+][C@H](c2ccccc2)C(C)(C)C)CC1 ZINC000086817907 1118397676 /nfs/dbraw/zinc/39/76/76/1118397676.db2.gz QRKIJYKOSXVBMW-DLBZAZTESA-N 2 1 274.452 3.848 20 0 CHADMP CC[N@H+](C)C[C@H]1CC[NH+](C/C=C\c2ccc(Cl)cc2)C1 ZINC000255538730 1118458570 /nfs/dbraw/zinc/45/85/70/1118458570.db2.gz APIPKGJTLPRKKZ-YIEVGGLXSA-N 2 1 292.854 3.627 20 0 CHADMP CC[N@@H+](C)C[C@H]1CC[NH+](C/C=C\c2ccc(Cl)cc2)C1 ZINC000255538730 1118458572 /nfs/dbraw/zinc/45/85/72/1118458572.db2.gz APIPKGJTLPRKKZ-YIEVGGLXSA-N 2 1 292.854 3.627 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@H+](C/C=C\c2ccc(Cl)cc2)C1 ZINC000255538730 1118458573 /nfs/dbraw/zinc/45/85/73/1118458573.db2.gz APIPKGJTLPRKKZ-YIEVGGLXSA-N 2 1 292.854 3.627 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@@H+](C/C=C\c2ccc(Cl)cc2)C1 ZINC000255538730 1118458575 /nfs/dbraw/zinc/45/85/75/1118458575.db2.gz APIPKGJTLPRKKZ-YIEVGGLXSA-N 2 1 292.854 3.627 20 0 CHADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC001167425611 1118485939 /nfs/dbraw/zinc/48/59/39/1118485939.db2.gz RQKFMOSXCYDLIM-MLHJIOFPSA-N 2 1 278.484 3.619 20 0 CHADMP CC[C@@H]1C[C@H]1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001167425611 1118485941 /nfs/dbraw/zinc/48/59/41/1118485941.db2.gz RQKFMOSXCYDLIM-MLHJIOFPSA-N 2 1 278.484 3.619 20 0 CHADMP CC[C@@H]1C[C@H]1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001167425611 1118485942 /nfs/dbraw/zinc/48/59/42/1118485942.db2.gz RQKFMOSXCYDLIM-MLHJIOFPSA-N 2 1 278.484 3.619 20 0 CHADMP Cn1c[nH+]cc1Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC001211251757 1118488609 /nfs/dbraw/zinc/48/86/09/1118488609.db2.gz OMLMXMSGOLXQMF-UHFFFAOYSA-N 2 1 298.434 3.928 20 0 CHADMP C[C@H](CC1CC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398202371 1118499285 /nfs/dbraw/zinc/49/92/85/1118499285.db2.gz NFKAOFXGSFPYKG-FRQCXROJSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@H](CC1CC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398202371 1118499286 /nfs/dbraw/zinc/49/92/86/1118499286.db2.gz NFKAOFXGSFPYKG-FRQCXROJSA-N 2 1 286.463 3.675 20 0 CHADMP CC(C)[NH+](CC[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)C(C)C ZINC000084981255 1118505010 /nfs/dbraw/zinc/50/50/10/1118505010.db2.gz OXSJWDPFFSPECS-OWCLPIDISA-N 2 1 254.462 3.520 20 0 CHADMP CC(C)=CCC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000126525453 1118509408 /nfs/dbraw/zinc/50/94/08/1118509408.db2.gz LDICJGXKBVHFSP-MGNMYUMUSA-N 2 1 264.457 3.726 20 0 CHADMP CC(C)=CCC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000126525453 1118509409 /nfs/dbraw/zinc/50/94/09/1118509409.db2.gz LDICJGXKBVHFSP-MGNMYUMUSA-N 2 1 264.457 3.726 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000580901982 1118519034 /nfs/dbraw/zinc/51/90/34/1118519034.db2.gz FDAGMIRSSCPYKP-QGZVFWFLSA-N 2 1 299.462 3.626 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2CC(C)=C[C@H](C)C2)CC1 ZINC000581042436 1118535697 /nfs/dbraw/zinc/53/56/97/1118535697.db2.gz IPKZOJXIQNXWCK-RDJZCZTQSA-N 2 1 278.484 3.785 20 0 CHADMP C[C@@H](c1ccccc1)[N@@H+](CC1CC[NH+](C)CC1)C1CC1 ZINC000891591765 1118714685 /nfs/dbraw/zinc/71/46/85/1118714685.db2.gz FALYZLJDZWLDDJ-HNNXBMFYSA-N 2 1 272.436 3.554 20 0 CHADMP C[C@H](C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000157084676 1118725334 /nfs/dbraw/zinc/72/53/34/1118725334.db2.gz ZQSCIXLAENBPKK-MJGOQNOKSA-N 2 1 286.463 3.740 20 0 CHADMP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H]2CCCF)CCCCC1 ZINC000510707687 1118791807 /nfs/dbraw/zinc/79/18/07/1118791807.db2.gz XDTSYUXFZUXREF-CVEARBPZSA-N 2 1 284.463 3.759 20 0 CHADMP Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]3C3CCC3)CC2)[nH+]c1 ZINC000510712702 1118793111 /nfs/dbraw/zinc/79/31/11/1118793111.db2.gz IHROLYLAFJWIJL-QZTJIDSGSA-N 2 1 299.462 3.527 20 0 CHADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000510722977 1118797545 /nfs/dbraw/zinc/79/75/45/1118797545.db2.gz QRGPXVCWZRUJAX-ZIAGYGMSSA-N 2 1 298.421 3.606 20 0 CHADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000510722977 1118797548 /nfs/dbraw/zinc/79/75/48/1118797548.db2.gz QRGPXVCWZRUJAX-ZIAGYGMSSA-N 2 1 298.421 3.606 20 0 CHADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCC2(CCCC2)CC1 ZINC000129369314 1118806119 /nfs/dbraw/zinc/80/61/19/1118806119.db2.gz MYELEOHKROICBB-OAHLLOKOSA-N 2 1 266.473 3.809 20 0 CHADMP CC[C@H](C)[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001167503513 1118943212 /nfs/dbraw/zinc/94/32/12/1118943212.db2.gz AUOBAZKPIKYWKF-JENIJYKNSA-N 2 1 288.479 3.875 20 0 CHADMP CC[C@H](C)[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001167503513 1118943216 /nfs/dbraw/zinc/94/32/16/1118943216.db2.gz AUOBAZKPIKYWKF-JENIJYKNSA-N 2 1 288.479 3.875 20 0 CHADMP CCC[C@@](C)([NH2+]CCCc1c[nH+]cn1C)c1ccccc1 ZINC000934179283 1118954814 /nfs/dbraw/zinc/95/48/14/1118954814.db2.gz CHHBTSNINQAHTF-GOSISDBHSA-N 2 1 285.435 3.658 20 0 CHADMP CCc1cccc2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)oc21 ZINC000657313771 1118988483 /nfs/dbraw/zinc/98/84/83/1118988483.db2.gz OMXVSDBAGQORJY-IRXDYDNUSA-N 2 1 298.430 3.712 20 0 CHADMP CCc1cccc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)oc21 ZINC000657313771 1118988486 /nfs/dbraw/zinc/98/84/86/1118988486.db2.gz OMXVSDBAGQORJY-IRXDYDNUSA-N 2 1 298.430 3.712 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+]Cc1cccc(C2CCCC2)c1 ZINC000657337579 1119010271 /nfs/dbraw/zinc/01/02/71/1119010271.db2.gz AACTVOOXXWYITA-UHFFFAOYSA-N 2 1 283.419 3.639 20 0 CHADMP Cc1nccn1CC[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000342584274 1119093174 /nfs/dbraw/zinc/09/31/74/1119093174.db2.gz RBOHYJSUAVTAMZ-ZDUSSCGKSA-N 2 1 283.375 3.631 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000342584274 1119093177 /nfs/dbraw/zinc/09/31/77/1119093177.db2.gz RBOHYJSUAVTAMZ-ZDUSSCGKSA-N 2 1 283.375 3.631 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000342584274 1119093180 /nfs/dbraw/zinc/09/31/80/1119093180.db2.gz RBOHYJSUAVTAMZ-ZDUSSCGKSA-N 2 1 283.375 3.631 20 0 CHADMP Cc1ccc([C@H](C)C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000628183958 1128823488 /nfs/dbraw/zinc/82/34/88/1128823488.db2.gz UTJRPEMYZCWSQW-NUJGCVRESA-N 2 1 274.452 3.513 20 0 CHADMP Cc1ccc([C@H](C)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000628183958 1128823492 /nfs/dbraw/zinc/82/34/92/1128823492.db2.gz UTJRPEMYZCWSQW-NUJGCVRESA-N 2 1 274.452 3.513 20 0 CHADMP Cc1ccc([C@H](C)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000628183958 1128823495 /nfs/dbraw/zinc/82/34/95/1128823495.db2.gz UTJRPEMYZCWSQW-NUJGCVRESA-N 2 1 274.452 3.513 20 0 CHADMP Cc1ccc([C@H](C)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000628183958 1128823499 /nfs/dbraw/zinc/82/34/99/1128823499.db2.gz UTJRPEMYZCWSQW-NUJGCVRESA-N 2 1 274.452 3.513 20 0 CHADMP Cc1ccc([C@H](C)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000628183958 1128823502 /nfs/dbraw/zinc/82/35/02/1128823502.db2.gz UTJRPEMYZCWSQW-NUJGCVRESA-N 2 1 274.452 3.513 20 0 CHADMP C[N@H+]1CCc2ncc(Nc3cc[nH+]c(C(C)(C)C)c3)cc2C1 ZINC001213163042 1119147775 /nfs/dbraw/zinc/14/77/75/1119147775.db2.gz SQJLHSUQLHRQKJ-UHFFFAOYSA-N 2 1 296.418 3.506 20 0 CHADMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccsc1 ZINC000050337886 1119178922 /nfs/dbraw/zinc/17/89/22/1119178922.db2.gz SCZLFAXYEFEIJR-OAHLLOKOSA-N 2 1 288.460 3.921 20 0 CHADMP c1ccc2c(c1)CCC[C@@H]2[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916525 1119182443 /nfs/dbraw/zinc/18/24/43/1119182443.db2.gz CBUBNWBCBHBOAX-WDSOQIARSA-N 2 1 284.447 3.528 20 0 CHADMP c1cc(-c2ccccc2)oc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000119417472 1119211368 /nfs/dbraw/zinc/21/13/68/1119211368.db2.gz XCGNMNXXUSDFQE-HNNXBMFYSA-N 2 1 296.414 3.521 20 0 CHADMP c1cc(-c2ccccc2)oc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000119417472 1119211373 /nfs/dbraw/zinc/21/13/73/1119211373.db2.gz XCGNMNXXUSDFQE-HNNXBMFYSA-N 2 1 296.414 3.521 20 0 CHADMP CCCCC[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000342860753 1119213534 /nfs/dbraw/zinc/21/35/34/1119213534.db2.gz PZPDUULBPFRKJE-MRXNPFEDSA-N 2 1 263.429 3.626 20 0 CHADMP CCCCC[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000342860753 1119213536 /nfs/dbraw/zinc/21/35/36/1119213536.db2.gz PZPDUULBPFRKJE-MRXNPFEDSA-N 2 1 263.429 3.626 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000628218325 1128830171 /nfs/dbraw/zinc/83/01/71/1128830171.db2.gz BJXZJPAPJJEUQF-INIZCTEOSA-N 2 1 285.435 3.673 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000657656167 1119226974 /nfs/dbraw/zinc/22/69/74/1119226974.db2.gz MMBREKUWDPPQQL-HBFSDRIKSA-N 2 1 298.474 3.677 20 0 CHADMP CC[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000657681107 1119242800 /nfs/dbraw/zinc/24/28/00/1119242800.db2.gz MOINGAWBPAABBB-RBUKOAKNSA-N 2 1 298.474 3.962 20 0 CHADMP CC[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000657681107 1119242801 /nfs/dbraw/zinc/24/28/01/1119242801.db2.gz MOINGAWBPAABBB-RBUKOAKNSA-N 2 1 298.474 3.962 20 0 CHADMP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157268037 1119275611 /nfs/dbraw/zinc/27/56/11/1119275611.db2.gz XMZUCWAPIAIUSZ-BVGQSLNGSA-N 2 1 266.388 3.790 20 0 CHADMP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000343097592 1119309893 /nfs/dbraw/zinc/30/98/93/1119309893.db2.gz VBZKJCFXWGCQFY-BFYDXBDKSA-N 2 1 290.838 3.544 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)C1(C)CC1 ZINC000154872063 1119321426 /nfs/dbraw/zinc/32/14/26/1119321426.db2.gz JTLUFVJATBIERG-HNNXBMFYSA-N 2 1 274.452 3.805 20 0 CHADMP C1=C(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000657749439 1119336352 /nfs/dbraw/zinc/33/63/52/1119336352.db2.gz CRYJDJQEYAWSES-LJQANCHMSA-N 2 1 296.458 3.884 20 0 CHADMP C1=C(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000657749439 1119336354 /nfs/dbraw/zinc/33/63/54/1119336354.db2.gz CRYJDJQEYAWSES-LJQANCHMSA-N 2 1 296.458 3.884 20 0 CHADMP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000583294974 1119337624 /nfs/dbraw/zinc/33/76/24/1119337624.db2.gz JAUAIWDOENWBFN-NEWSRXKRSA-N 2 1 286.463 3.534 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000151120691 1119401330 /nfs/dbraw/zinc/40/13/30/1119401330.db2.gz WMJKYAOJWHMWGN-QWHCGFSZSA-N 2 1 298.833 3.862 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C)cc2C)C1 ZINC000151126582 1119405205 /nfs/dbraw/zinc/40/52/05/1119405205.db2.gz KRFGQEGXPQBAGA-IRXDYDNUSA-N 2 1 274.452 3.686 20 0 CHADMP Cc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657799750 1119423305 /nfs/dbraw/zinc/42/33/05/1119423305.db2.gz YUGNENWILYIACM-BXWFABGCSA-N 2 1 284.447 3.589 20 0 CHADMP Cc1cccc(NC2CCC([NH+]3CCC(C)CC3)CC2)[nH+]1 ZINC000158167391 1119435317 /nfs/dbraw/zinc/43/53/17/1119435317.db2.gz DDFTXCYMDUPCFR-UHFFFAOYSA-N 2 1 287.451 3.845 20 0 CHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1(C)CC1 ZINC000158594356 1119458726 /nfs/dbraw/zinc/45/87/26/1119458726.db2.gz AQRLHDNWCMQHDC-XHSDSOJGSA-N 2 1 266.473 3.523 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000343599840 1119466616 /nfs/dbraw/zinc/46/66/16/1119466616.db2.gz HGYHHHPQKFDFBG-UHFFFAOYSA-N 2 1 286.419 3.659 20 0 CHADMP Cc1oc2ccccc2c1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000343599840 1119466617 /nfs/dbraw/zinc/46/66/17/1119466617.db2.gz HGYHHHPQKFDFBG-UHFFFAOYSA-N 2 1 286.419 3.659 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCSCC1 ZINC000657837979 1119498652 /nfs/dbraw/zinc/49/86/52/1119498652.db2.gz LMGJZPAUKXALFC-CVEARBPZSA-N 2 1 284.513 3.516 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1F ZINC000623444643 1119523266 /nfs/dbraw/zinc/52/32/66/1119523266.db2.gz NAFOPGNMBFMSSW-ZFWWWQNUSA-N 2 1 278.415 3.658 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1F ZINC000623444643 1119523267 /nfs/dbraw/zinc/52/32/67/1119523267.db2.gz NAFOPGNMBFMSSW-ZFWWWQNUSA-N 2 1 278.415 3.658 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)C(F)(F)c1ccccc1 ZINC000926561640 1119523309 /nfs/dbraw/zinc/52/33/09/1119523309.db2.gz ZVMUTKHWVQBQJQ-CQSZACIVSA-N 2 1 296.405 3.631 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)C(F)(F)c1ccccc1 ZINC000926561640 1119523312 /nfs/dbraw/zinc/52/33/12/1119523312.db2.gz ZVMUTKHWVQBQJQ-CQSZACIVSA-N 2 1 296.405 3.631 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cc2ccccc2[nH]1 ZINC000926575134 1119581837 /nfs/dbraw/zinc/58/18/37/1119581837.db2.gz XTVICLKHQAUBJQ-CABCVRRESA-N 2 1 285.435 3.550 20 0 CHADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000657875368 1119589070 /nfs/dbraw/zinc/58/90/70/1119589070.db2.gz DAZJSULJVYQSMF-DOTOQJQBSA-N 2 1 294.870 3.593 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](C)CCc2ccccc2)C1 ZINC001648920569 1119595444 /nfs/dbraw/zinc/59/54/44/1119595444.db2.gz CEUHVKKAUUULNS-IEBWSBKVSA-N 2 1 288.479 3.577 20 0 CHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cscc3Cl)C2)CC1 ZINC000685462802 1119610812 /nfs/dbraw/zinc/61/08/12/1119610812.db2.gz HZOCEXHHINJCES-CYBMUJFWSA-N 2 1 298.883 3.565 20 0 CHADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cccc2cnccc21 ZINC000685459762 1119612776 /nfs/dbraw/zinc/61/27/76/1119612776.db2.gz YGUXCSKKDRRGKQ-UHFFFAOYSA-N 2 1 297.446 3.543 20 0 CHADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000708569535 1119616167 /nfs/dbraw/zinc/61/61/67/1119616167.db2.gz ZFVFYOQEVPWYDA-FPAYPSAMSA-N 2 1 286.463 3.533 20 0 CHADMP C[NH+]1CCC(C[N@H+]2CCCC[C@@H]2c2ccccc2)CC1 ZINC001207391621 1119628425 /nfs/dbraw/zinc/62/84/25/1119628425.db2.gz JHWIYKBUPAMADY-GOSISDBHSA-N 2 1 272.436 3.555 20 0 CHADMP C[C@H](CC[NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000628425640 1128858849 /nfs/dbraw/zinc/85/88/49/1128858849.db2.gz QUNOLUZZODMMGD-IAGOWNOFSA-N 2 1 274.452 3.502 20 0 CHADMP C[C@H]([NH2+][C@H]1CCCSCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000657969786 1119655583 /nfs/dbraw/zinc/65/55/83/1119655583.db2.gz UQICCUYOYRVNKG-XHSDSOJGSA-N 2 1 296.524 3.515 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H]2CCc2ccccc2)CC1 ZINC000545242236 1119772544 /nfs/dbraw/zinc/77/25/44/1119772544.db2.gz PORUOJNAXBITHZ-VQTJNVASSA-N 2 1 298.474 3.639 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CC(C)(C)C1 ZINC000708786858 1119843156 /nfs/dbraw/zinc/84/31/56/1119843156.db2.gz FMYWRDVMSYNCKW-ARFHVFGLSA-N 2 1 266.473 3.523 20 0 CHADMP CCCC[C@H](C)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685852451 1119873485 /nfs/dbraw/zinc/87/34/85/1119873485.db2.gz WKMGUOHFAUECPD-INIZCTEOSA-N 2 1 292.467 3.638 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1C[C@H]1C ZINC000414073548 1119883271 /nfs/dbraw/zinc/88/32/71/1119883271.db2.gz MFMBFXHSFRNZFS-ANQUJSFKSA-N 2 1 292.492 3.594 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1C[C@H]1C ZINC000414073548 1119883275 /nfs/dbraw/zinc/88/32/75/1119883275.db2.gz MFMBFXHSFRNZFS-ANQUJSFKSA-N 2 1 292.492 3.594 20 0 CHADMP C[N@@H+](CCCc1ccc(Cl)cc1)CC1CC[NH+](C)CC1 ZINC000157905981 1119899285 /nfs/dbraw/zinc/89/92/85/1119899285.db2.gz MYTOIPOEPLHNLX-UHFFFAOYSA-N 2 1 294.870 3.546 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](C)c2coc3ccccc23)CC1 ZINC000924572357 1119904383 /nfs/dbraw/zinc/90/43/83/1119904383.db2.gz ZTKGUISYQSJBNK-ZDUSSCGKSA-N 2 1 272.392 3.568 20 0 CHADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(C)cc1 ZINC000414191972 1119932332 /nfs/dbraw/zinc/93/23/32/1119932332.db2.gz SQJGTNIQXCNRAU-SJLPKXTDSA-N 2 1 274.452 3.768 20 0 CHADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1F ZINC000414198280 1119935402 /nfs/dbraw/zinc/93/54/02/1119935402.db2.gz WXRUQWUFKBYQBY-DYVFJYSZSA-N 2 1 296.405 3.737 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)c(Cl)c1 ZINC000414203405 1119935699 /nfs/dbraw/zinc/93/56/99/1119935699.db2.gz ZYXTZUOFKKPZSO-STQMWFEESA-N 2 1 298.833 3.862 20 0 CHADMP Cc1ccc([C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C2CCC2)o1 ZINC000414202386 1119936754 /nfs/dbraw/zinc/93/67/54/1119936754.db2.gz YLIMKQANMUQKTO-YJBOKZPZSA-N 2 1 290.451 3.751 20 0 CHADMP CCCN1CCC([NH2+][C@H](C)c2coc3ccccc23)CC1 ZINC000924577223 1119964398 /nfs/dbraw/zinc/96/43/98/1119964398.db2.gz IBGVOSCSCKGMKX-CQSZACIVSA-N 2 1 286.419 3.958 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@H](C)c2coc3ccccc23)CC1 ZINC000924577223 1119964400 /nfs/dbraw/zinc/96/44/00/1119964400.db2.gz IBGVOSCSCKGMKX-CQSZACIVSA-N 2 1 286.419 3.958 20 0 CHADMP CCC[C@]1(C)CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000472593504 1119994678 /nfs/dbraw/zinc/99/46/78/1119994678.db2.gz XIZGNXLCCFJIRY-DLBZAZTESA-N 2 1 266.473 3.763 20 0 CHADMP CCC[C@]1(C)CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000472593504 1119994679 /nfs/dbraw/zinc/99/46/79/1119994679.db2.gz XIZGNXLCCFJIRY-DLBZAZTESA-N 2 1 266.473 3.763 20 0 CHADMP CCC[C@]1(C)CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000472593504 1119994682 /nfs/dbraw/zinc/99/46/82/1119994682.db2.gz XIZGNXLCCFJIRY-DLBZAZTESA-N 2 1 266.473 3.763 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(C)s1 ZINC000647544366 1120003770 /nfs/dbraw/zinc/00/37/70/1120003770.db2.gz ZMGVUELCTMYLNN-HZPDHXFCSA-N 2 1 292.492 3.577 20 0 CHADMP CC(C)[C@H](C[NH2+][C@H]1CCC[C@@H](C)CC1)[NH+]1CCCC1 ZINC000086880515 1120035406 /nfs/dbraw/zinc/03/54/06/1120035406.db2.gz NJRLIDUZTQSCCK-IKGGRYGDSA-N 2 1 266.473 3.665 20 0 CHADMP C(CC1CCCCCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000377544646 1120050834 /nfs/dbraw/zinc/05/08/34/1120050834.db2.gz VMGMMOLREKTZCQ-IRXDYDNUSA-N 2 1 264.457 3.563 20 0 CHADMP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624119504 1120051593 /nfs/dbraw/zinc/05/15/93/1120051593.db2.gz DGAGCGGXFAHHBB-JYJNAYRXSA-N 2 1 254.462 3.523 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1F ZINC000165605292 1120056000 /nfs/dbraw/zinc/05/60/00/1120056000.db2.gz ADAIUCZXUCACHP-CQSZACIVSA-N 2 1 290.426 3.659 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C(c2ccccc2)c2ccccc2)CCN1C ZINC000178032636 1120057075 /nfs/dbraw/zinc/05/70/75/1120057075.db2.gz LCWSMRZGHLPWLS-LPHOPBHVSA-N 2 1 294.442 3.848 20 0 CHADMP CCC(CC)(CC)C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000628425665 1120061412 /nfs/dbraw/zinc/06/14/12/1120061412.db2.gz RDUOJAXVDQXDDQ-HNNXBMFYSA-N 2 1 254.462 3.524 20 0 CHADMP C[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000623657335 1120065175 /nfs/dbraw/zinc/06/51/75/1120065175.db2.gz NXGXUACVWBIDCO-LSDHHAIUSA-N 2 1 294.870 3.765 20 0 CHADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121139 1120076321 /nfs/dbraw/zinc/07/63/21/1120076321.db2.gz OVKADCYYKVNVOZ-OALUTQOASA-N 2 1 288.479 3.638 20 0 CHADMP Cc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c(Cl)c1 ZINC000715550630 1120111152 /nfs/dbraw/zinc/11/11/52/1120111152.db2.gz BWPUDCMXWUTUDV-LSDHHAIUSA-N 2 1 280.843 3.611 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](CCC)Cc1ccccc1 ZINC000414814216 1120126820 /nfs/dbraw/zinc/12/68/20/1120126820.db2.gz NLVJPAOYYQPGMA-IRXDYDNUSA-N 2 1 262.441 3.505 20 0 CHADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000474726187 1120150763 /nfs/dbraw/zinc/15/07/63/1120150763.db2.gz OABSADTXCJFTPK-JYJNAYRXSA-N 2 1 292.467 3.507 20 0 CHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000379038441 1120184076 /nfs/dbraw/zinc/18/40/76/1120184076.db2.gz JHTRJZFYHZQSIJ-BXWFABGCSA-N 2 1 286.463 3.675 20 0 CHADMP CCc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000314408762 1120196147 /nfs/dbraw/zinc/19/61/47/1120196147.db2.gz UQPMSJLDARUEIT-KGLIPLIRSA-N 2 1 288.435 3.844 20 0 CHADMP CC(C)(C)[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000314416155 1120197605 /nfs/dbraw/zinc/19/76/05/1120197605.db2.gz XHSTUBIJPLHCPP-GOSISDBHSA-N 2 1 286.463 3.990 20 0 CHADMP CC(C)C[C@@H](C)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309852748 1120236074 /nfs/dbraw/zinc/23/60/74/1120236074.db2.gz BFVDHUHPAAIJEN-MJGOQNOKSA-N 2 1 288.479 3.923 20 0 CHADMP CCC[N@@H+](Cc1cc(C)cc(C)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001236843426 1128904876 /nfs/dbraw/zinc/90/48/76/1128904876.db2.gz OBQDDQPUMVTOPK-HNNXBMFYSA-N 2 1 294.870 3.778 20 0 CHADMP CCC[N@H+](Cc1cc(C)cc(C)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001236843426 1128904878 /nfs/dbraw/zinc/90/48/78/1128904878.db2.gz OBQDDQPUMVTOPK-HNNXBMFYSA-N 2 1 294.870 3.778 20 0 CHADMP CCC[N@H+](Cc1ccccc1SCC)C[C@H]1CC[NH2+]C1 ZINC001236843424 1128905142 /nfs/dbraw/zinc/90/51/42/1128905142.db2.gz IJNBHQCMUXDSFW-HNNXBMFYSA-N 2 1 292.492 3.620 20 0 CHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC2CC=CC2)C1 ZINC000659929824 1120291577 /nfs/dbraw/zinc/29/15/77/1120291577.db2.gz WJTXMQADLNIJMI-AEFFLSMTSA-N 2 1 276.468 3.539 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC2CC=CC2)C1 ZINC000659929824 1120291580 /nfs/dbraw/zinc/29/15/80/1120291580.db2.gz WJTXMQADLNIJMI-AEFFLSMTSA-N 2 1 276.468 3.539 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC2CC=CC2)C1 ZINC000659929824 1120291583 /nfs/dbraw/zinc/29/15/83/1120291583.db2.gz WJTXMQADLNIJMI-AEFFLSMTSA-N 2 1 276.468 3.539 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)[C@H]1C[C@H]1c1ccccc1 ZINC000338784360 1120318676 /nfs/dbraw/zinc/31/86/76/1120318676.db2.gz XRXNGGRAHFRWOA-RGCFKVTRSA-N 2 1 297.446 3.609 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338784361 1120318985 /nfs/dbraw/zinc/31/89/85/1120318985.db2.gz XRXNGGRAHFRWOA-VVWQDTPRSA-N 2 1 297.446 3.609 20 0 CHADMP C[NH+]1CCC[C@@H]2C[N@H+](CC[C@H]3CCc4ccccc43)CC[C@@H]21 ZINC000660009766 1120339161 /nfs/dbraw/zinc/33/91/61/1120339161.db2.gz ACHBPBQAQHRWLQ-GGPKGHCWSA-N 2 1 298.474 3.523 20 0 CHADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC[C@H]3CCc4ccccc43)CC[C@@H]21 ZINC000660009766 1120339165 /nfs/dbraw/zinc/33/91/65/1120339165.db2.gz ACHBPBQAQHRWLQ-GGPKGHCWSA-N 2 1 298.474 3.523 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CCC(C)C)C2CC2)C1 ZINC000517042775 1120359425 /nfs/dbraw/zinc/35/94/25/1120359425.db2.gz ADVJPZKPNVNIMB-WBVHZDCISA-N 2 1 266.473 3.523 20 0 CHADMP Cc1cc(N[C@H](C)C[N@@H+](C)C(C)C)c2ccccc2[nH+]1 ZINC000312725582 1120373727 /nfs/dbraw/zinc/37/37/27/1120373727.db2.gz RYDDOCSXROVJKZ-CQSZACIVSA-N 2 1 271.408 3.684 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]CC(C)(C)C ZINC000066972305 1120421287 /nfs/dbraw/zinc/42/12/87/1120421287.db2.gz FXXOJPWDIULGNA-UHFFFAOYSA-N 2 1 262.441 3.663 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CC23CC3)cc1 ZINC000417345560 1120433335 /nfs/dbraw/zinc/43/33/35/1120433335.db2.gz XSCPNANBPYEUEH-CJNGLKHVSA-N 2 1 281.403 3.631 20 0 CHADMP C[C@H]([NH2+]CCCC1CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660255336 1120467902 /nfs/dbraw/zinc/46/79/02/1120467902.db2.gz BIKHNUHUVDQPIM-DOTOQJQBSA-N 2 1 278.484 3.809 20 0 CHADMP Cc1cc(C)cc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000119638374 1120476936 /nfs/dbraw/zinc/47/69/36/1120476936.db2.gz QZWYDMSUKBIUOA-OAHLLOKOSA-N 2 1 272.436 3.581 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CCc2ccc(F)cc21 ZINC000479889479 1120488707 /nfs/dbraw/zinc/48/87/07/1120488707.db2.gz SFBNAWXRUQDQDU-RDTXWAMCSA-N 2 1 290.426 3.667 20 0 CHADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000479889479 1120488711 /nfs/dbraw/zinc/48/87/11/1120488711.db2.gz SFBNAWXRUQDQDU-RDTXWAMCSA-N 2 1 290.426 3.667 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000479889479 1120488714 /nfs/dbraw/zinc/48/87/14/1120488714.db2.gz SFBNAWXRUQDQDU-RDTXWAMCSA-N 2 1 290.426 3.667 20 0 CHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(F)cc1 ZINC000019913069 1120491909 /nfs/dbraw/zinc/49/19/09/1120491909.db2.gz QRVPFUQPXOKAHO-GJZGRUSLSA-N 2 1 278.415 3.741 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](C)CC(C)C ZINC000499734684 1120495728 /nfs/dbraw/zinc/49/57/28/1120495728.db2.gz NSBZVURQEAWBCH-MRXNPFEDSA-N 2 1 279.472 3.840 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](C)CC(C)C ZINC000499734684 1120495730 /nfs/dbraw/zinc/49/57/30/1120495730.db2.gz NSBZVURQEAWBCH-MRXNPFEDSA-N 2 1 279.472 3.840 20 0 CHADMP CC[C@H](C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21)c1ccccc1 ZINC000582115069 1120539612 /nfs/dbraw/zinc/53/96/12/1120539612.db2.gz WDJAFCHOAFSJAU-NZSAHSFTSA-N 2 1 286.463 3.596 20 0 CHADMP CC[C@H](C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1ccccc1 ZINC000582115069 1120539616 /nfs/dbraw/zinc/53/96/16/1120539616.db2.gz WDJAFCHOAFSJAU-NZSAHSFTSA-N 2 1 286.463 3.596 20 0 CHADMP CC[C@@H](c1ccccc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000499905115 1120548519 /nfs/dbraw/zinc/54/85/19/1120548519.db2.gz ICBBNFVIGNPSAV-KRWDZBQOSA-N 2 1 260.425 3.555 20 0 CHADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000019913086 1120549022 /nfs/dbraw/zinc/54/90/22/1120549022.db2.gz OXESROMZUYCIDW-HOTGVXAUSA-N 2 1 290.451 3.610 20 0 CHADMP Cc1cccc(CNCc2ccccc2-n2ccnc2)c1F ZINC001648927360 1120559014 /nfs/dbraw/zinc/55/90/14/1120559014.db2.gz RQZJJQZZCFMDCY-UHFFFAOYSA-N 2 1 295.361 3.610 20 0 CHADMP CC(C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390562725 1120596213 /nfs/dbraw/zinc/59/62/13/1120596213.db2.gz MUFLALAEQYMTCV-SFHVURJKSA-N 2 1 288.479 3.923 20 0 CHADMP CC(C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390562725 1120596216 /nfs/dbraw/zinc/59/62/16/1120596216.db2.gz MUFLALAEQYMTCV-SFHVURJKSA-N 2 1 288.479 3.923 20 0 CHADMP CC(C)CC[C@@H](C)[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000398301435 1120601282 /nfs/dbraw/zinc/60/12/82/1120601282.db2.gz GNFBUIAKSXIBHB-YSHGAJCASA-N 2 1 286.463 3.531 20 0 CHADMP CC(C)CC[C@@H](C)[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000398301435 1120601284 /nfs/dbraw/zinc/60/12/84/1120601284.db2.gz GNFBUIAKSXIBHB-YSHGAJCASA-N 2 1 286.463 3.531 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000253354675 1128927815 /nfs/dbraw/zinc/92/78/15/1128927815.db2.gz FFXFFSUGPMLJJY-AOIWGVFYSA-N 2 1 288.479 3.842 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000253354675 1128927818 /nfs/dbraw/zinc/92/78/18/1128927818.db2.gz FFXFFSUGPMLJJY-AOIWGVFYSA-N 2 1 288.479 3.842 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000253354675 1128927821 /nfs/dbraw/zinc/92/78/21/1128927821.db2.gz FFXFFSUGPMLJJY-AOIWGVFYSA-N 2 1 288.479 3.842 20 0 CHADMP CC[C@@H](N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cccc(Cl)c1 ZINC000673627250 1120625411 /nfs/dbraw/zinc/62/54/11/1120625411.db2.gz KBJIMDJDTZSSOE-IAGOWNOFSA-N 2 1 292.854 3.865 20 0 CHADMP CC[C@@H](N[C@H]1CC[N@@H+](CC2CC2)C1)c1cccc(Cl)c1 ZINC000673627232 1120625792 /nfs/dbraw/zinc/62/57/92/1120625792.db2.gz KBJIMDJDTZSSOE-DLBZAZTESA-N 2 1 292.854 3.865 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2ccc(C)cc2)C[C@H]1C ZINC000544144922 1120666336 /nfs/dbraw/zinc/66/63/36/1120666336.db2.gz ALYYPTNLAWVPGD-MJGOQNOKSA-N 2 1 288.479 3.732 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2ccc(C)cc2)C[C@H]1C ZINC000544144922 1120666338 /nfs/dbraw/zinc/66/63/38/1120666338.db2.gz ALYYPTNLAWVPGD-MJGOQNOKSA-N 2 1 288.479 3.732 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2ccc(C)cc2)C[C@H]1C ZINC000544144922 1120666341 /nfs/dbraw/zinc/66/63/41/1120666341.db2.gz ALYYPTNLAWVPGD-MJGOQNOKSA-N 2 1 288.479 3.732 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660657042 1120674370 /nfs/dbraw/zinc/67/43/70/1120674370.db2.gz ZOFJXLKSSXBVKM-YOEHRIQHSA-N 2 1 292.854 3.819 20 0 CHADMP Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000660674038 1120676634 /nfs/dbraw/zinc/67/66/34/1120676634.db2.gz KVKCUQCVXKAXGW-UHFFFAOYSA-N 2 1 294.442 3.749 20 0 CHADMP CC[N@H+](CCC[NH2+]Cc1cnccc1C)C1CCCCC1 ZINC000651910064 1120775592 /nfs/dbraw/zinc/77/55/92/1120775592.db2.gz FVDKXGHKKRLTAI-UHFFFAOYSA-N 2 1 289.467 3.524 20 0 CHADMP CC[N@@H+](CCC[NH2+]Cc1cnccc1C)C1CCCCC1 ZINC000651910064 1120775593 /nfs/dbraw/zinc/77/55/93/1120775593.db2.gz FVDKXGHKKRLTAI-UHFFFAOYSA-N 2 1 289.467 3.524 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000661579630 1120781969 /nfs/dbraw/zinc/78/19/69/1120781969.db2.gz YZZVKDZCFNJNNP-GOSISDBHSA-N 2 1 289.467 3.874 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000661579630 1120781970 /nfs/dbraw/zinc/78/19/70/1120781970.db2.gz YZZVKDZCFNJNNP-GOSISDBHSA-N 2 1 289.467 3.874 20 0 CHADMP C[C@@H]([NH2+]C1(C2CCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000652272703 1120806267 /nfs/dbraw/zinc/80/62/67/1120806267.db2.gz UFLLYFLJAHWSSE-SJLPKXTDSA-N 2 1 298.474 3.819 20 0 CHADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC000221689137 1120900316 /nfs/dbraw/zinc/90/03/16/1120900316.db2.gz UNMOVDWUATZIBP-CQSZACIVSA-N 2 1 278.415 3.597 20 0 CHADMP C[C@H]1CC2(C[N@H+]1CC[C@H]1CCc3ccccc31)CC[NH2+]CC2 ZINC000662283162 1120919146 /nfs/dbraw/zinc/91/91/46/1120919146.db2.gz LZSKMCZIVOTJEU-FUHWJXTLSA-N 2 1 298.474 3.571 20 0 CHADMP C[C@@H](c1ccccc1F)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295073 1120920550 /nfs/dbraw/zinc/92/05/50/1120920550.db2.gz DVZSYYILRCWTDN-HOCLYGCPSA-N 2 1 290.426 3.598 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[N@H+](C)CC(C)(C)[NH3+] ZINC000662292800 1120920710 /nfs/dbraw/zinc/92/07/10/1120920710.db2.gz MRRKPWSBWHLAMC-CYBMUJFWSA-N 2 1 256.393 3.570 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662292800 1120920714 /nfs/dbraw/zinc/92/07/14/1120920714.db2.gz MRRKPWSBWHLAMC-CYBMUJFWSA-N 2 1 256.393 3.570 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1F ZINC000663344253 1120941091 /nfs/dbraw/zinc/94/10/91/1120941091.db2.gz QCKYECVQPOJLFF-ZBFHGGJFSA-N 2 1 290.426 3.598 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1F ZINC000663344253 1120941094 /nfs/dbraw/zinc/94/10/94/1120941094.db2.gz QCKYECVQPOJLFF-ZBFHGGJFSA-N 2 1 290.426 3.598 20 0 CHADMP C([NH2+][C@H](C1CC1)C1CCCC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663464994 1120980142 /nfs/dbraw/zinc/98/01/42/1120980142.db2.gz HWILUSWABPLYKU-APWZRJJASA-N 2 1 290.495 3.667 20 0 CHADMP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467268 1120980700 /nfs/dbraw/zinc/98/07/00/1120980700.db2.gz ZTPINUKUFKJUEA-BDXSIMOUSA-N 2 1 290.495 3.523 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663468593 1120983704 /nfs/dbraw/zinc/98/37/04/1120983704.db2.gz MJTMUTNCVKQYOE-WMZOPIPTSA-N 2 1 286.463 3.768 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663468592 1120984077 /nfs/dbraw/zinc/98/40/77/1120984077.db2.gz MJTMUTNCVKQYOE-SJLPKXTDSA-N 2 1 286.463 3.768 20 0 CHADMP CCCC(CCC)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663472179 1120985821 /nfs/dbraw/zinc/98/58/21/1120985821.db2.gz ZHFGIUDMGUJKOX-INIZCTEOSA-N 2 1 266.473 3.667 20 0 CHADMP CC(C)CC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663470213 1120985197 /nfs/dbraw/zinc/98/51/97/1120985197.db2.gz SZGHQTXZRGXBKV-DOTOQJQBSA-N 2 1 266.473 3.523 20 0 CHADMP CC1(C)C[C@]1(C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000663477778 1120989459 /nfs/dbraw/zinc/98/94/59/1120989459.db2.gz VLBBMCDJNFKCFE-FQEVSTJZSA-N 2 1 298.474 3.571 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1ccsc1 ZINC001167827850 1121004646 /nfs/dbraw/zinc/00/46/46/1121004646.db2.gz YIWUGZHVUPSHET-CQSZACIVSA-N 2 1 268.470 3.690 20 0 CHADMP C[C@H]([NH3+])C[NH2+][C@@H](Cc1ccccc1Cl)c1cccs1 ZINC000643527366 1121006062 /nfs/dbraw/zinc/00/60/62/1121006062.db2.gz LOEWZOAZUXMUMO-FZMZJTMJSA-N 2 1 294.851 3.622 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC001167839490 1121041993 /nfs/dbraw/zinc/04/19/93/1121041993.db2.gz YHLKKNYEUBTEKV-GVDBMIGSSA-N 2 1 266.473 3.761 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](CC2CCC2)c2ccccc2)C1 ZINC000344035138 1121061588 /nfs/dbraw/zinc/06/15/88/1121061588.db2.gz PYQHZNZKUQRKSI-PKOBYXMFSA-N 2 1 286.463 3.849 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000162688773 1121103917 /nfs/dbraw/zinc/10/39/17/1121103917.db2.gz AHUKHKKHIAWJOA-OAHLLOKOSA-N 2 1 289.448 3.870 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1c1cccs1 ZINC000162688773 1121103919 /nfs/dbraw/zinc/10/39/19/1121103919.db2.gz AHUKHKKHIAWJOA-OAHLLOKOSA-N 2 1 289.448 3.870 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C(C)(C)C)s2)CC[N@@H+]1C ZINC000093644572 1128966483 /nfs/dbraw/zinc/96/64/83/1128966483.db2.gz OHVYMXMMGIIOHI-UONOGXRCSA-N 2 1 294.508 3.960 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C(C)(C)C)s2)CC[N@H+]1C ZINC000093644572 1128966486 /nfs/dbraw/zinc/96/64/86/1128966486.db2.gz OHVYMXMMGIIOHI-UONOGXRCSA-N 2 1 294.508 3.960 20 0 CHADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(C(C)(C)C)s2)CC[NH+]1C ZINC000093644572 1128966489 /nfs/dbraw/zinc/96/64/89/1128966489.db2.gz OHVYMXMMGIIOHI-UONOGXRCSA-N 2 1 294.508 3.960 20 0 CHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C(C)(C)C)s2)CC[NH+]1C ZINC000093644572 1128966492 /nfs/dbraw/zinc/96/64/92/1128966492.db2.gz OHVYMXMMGIIOHI-UONOGXRCSA-N 2 1 294.508 3.960 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093643806 1128966504 /nfs/dbraw/zinc/96/65/04/1128966504.db2.gz ZBSFMCDHEHHQPS-ZBFHGGJFSA-N 2 1 294.870 3.871 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093643806 1128966508 /nfs/dbraw/zinc/96/65/08/1128966508.db2.gz ZBSFMCDHEHHQPS-ZBFHGGJFSA-N 2 1 294.870 3.871 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093643806 1128966511 /nfs/dbraw/zinc/96/65/11/1128966511.db2.gz ZBSFMCDHEHHQPS-ZBFHGGJFSA-N 2 1 294.870 3.871 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093643806 1128966512 /nfs/dbraw/zinc/96/65/12/1128966512.db2.gz ZBSFMCDHEHHQPS-ZBFHGGJFSA-N 2 1 294.870 3.871 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]CC1(C)CCC1 ZINC000434759535 1121169187 /nfs/dbraw/zinc/16/91/87/1121169187.db2.gz UBRAIGGWZWBTQJ-UHFFFAOYSA-N 2 1 274.452 3.807 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000062018672 1121185564 /nfs/dbraw/zinc/18/55/64/1121185564.db2.gz CQKMXYCQBCKHSX-CYBMUJFWSA-N 2 1 280.843 3.723 20 0 CHADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000512212042 1121201284 /nfs/dbraw/zinc/20/12/84/1121201284.db2.gz MBPKUVHLNTXHMX-HKUYNNGSSA-N 2 1 286.463 3.773 20 0 CHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000512212042 1121201287 /nfs/dbraw/zinc/20/12/87/1121201287.db2.gz MBPKUVHLNTXHMX-HKUYNNGSSA-N 2 1 286.463 3.773 20 0 CHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000512212042 1121201292 /nfs/dbraw/zinc/20/12/92/1121201292.db2.gz MBPKUVHLNTXHMX-HKUYNNGSSA-N 2 1 286.463 3.773 20 0 CHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000512212042 1121201297 /nfs/dbraw/zinc/20/12/97/1121201297.db2.gz MBPKUVHLNTXHMX-HKUYNNGSSA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000658233356 1121237885 /nfs/dbraw/zinc/23/78/85/1121237885.db2.gz KKAHQCKYJJOWOM-YRPNKDGESA-N 2 1 298.474 3.960 20 0 CHADMP CC[NH+](CC)CCC[NH2+]Cc1c(C)oc2ccccc21 ZINC000123202938 1121263065 /nfs/dbraw/zinc/26/30/65/1121263065.db2.gz CXLVZVPGIRDFJH-UHFFFAOYSA-N 2 1 274.408 3.563 20 0 CHADMP CC(CC[NH+](C)[C@@H](C)C1CC1)CC[N@@H+](C)[C@@H](C)C1CC1 ZINC000571025126 1121281264 /nfs/dbraw/zinc/28/12/64/1121281264.db2.gz GMVABBVEAQSJJT-HOTGVXAUSA-N 2 1 280.500 3.863 20 0 CHADMP Cc1c2ccccc2oc1[C@H](C)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000124339802 1121292155 /nfs/dbraw/zinc/29/21/55/1121292155.db2.gz JXXAMQFRBIJZRK-LSDHHAIUSA-N 2 1 298.430 3.876 20 0 CHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000124339802 1121292164 /nfs/dbraw/zinc/29/21/64/1121292164.db2.gz JXXAMQFRBIJZRK-LSDHHAIUSA-N 2 1 298.430 3.876 20 0 CHADMP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000512391722 1121304932 /nfs/dbraw/zinc/30/49/32/1121304932.db2.gz PDBZINVTOMNSCR-AEFFLSMTSA-N 2 1 286.463 3.738 20 0 CHADMP Cc1occc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000675779715 1121354187 /nfs/dbraw/zinc/35/41/87/1121354187.db2.gz PGEDAYHSCCEISW-KBXCAEBGSA-N 2 1 290.451 3.721 20 0 CHADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000675779202 1121354233 /nfs/dbraw/zinc/35/42/33/1121354233.db2.gz RNFZWAMKDGQNJI-GPMSIDNRSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000675779202 1121354242 /nfs/dbraw/zinc/35/42/42/1121354242.db2.gz RNFZWAMKDGQNJI-GPMSIDNRSA-N 2 1 286.463 3.675 20 0 CHADMP CC(C)C[N@H+](C/C(Cl)=C\Cl)CC1CC[NH+](C)CC1 ZINC001175600785 1121381714 /nfs/dbraw/zinc/38/17/14/1121381714.db2.gz CDLSSDYACUOHGS-RIYZIHGNSA-N 2 1 293.282 3.605 20 0 CHADMP CC(C)c1[nH+]ccn1Cc1cccc(Nc2[nH]cc[nH+]2)c1 ZINC001176084891 1121535629 /nfs/dbraw/zinc/53/56/29/1121535629.db2.gz UAOZBAJEYVMNHH-UHFFFAOYSA-N 2 1 281.363 3.522 20 0 CHADMP CC(C)[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCC1 ZINC000923307548 1121557370 /nfs/dbraw/zinc/55/73/70/1121557370.db2.gz USPGETQCKWUOIW-MQVJKMGUSA-N 2 1 264.457 3.560 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCCCF)CC1 ZINC000509375226 1121558034 /nfs/dbraw/zinc/55/80/34/1121558034.db2.gz XYFSSZGDAJCGBH-MRXNPFEDSA-N 2 1 284.463 3.713 20 0 CHADMP CC(C)c1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC001204168467 1121560779 /nfs/dbraw/zinc/56/07/79/1121560779.db2.gz PGSLQGGLYXLKOI-UHFFFAOYSA-N 2 1 286.463 3.728 20 0 CHADMP Cc1ccoc1C[N@H+](C)Cc1ccc(-n2ccnc2)cc1C ZINC000429396101 1121561940 /nfs/dbraw/zinc/56/19/40/1121561940.db2.gz VQWSYTDTCQRUKY-UHFFFAOYSA-N 2 1 295.386 3.714 20 0 CHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)c1ccccn1 ZINC000626062748 1121593878 /nfs/dbraw/zinc/59/38/78/1121593878.db2.gz FEHMMZAGDWJGMW-MRXNPFEDSA-N 2 1 297.446 3.726 20 0 CHADMP Cc1occc1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000321005673 1121610774 /nfs/dbraw/zinc/61/07/74/1121610774.db2.gz SUQPFGAABVUOLA-GOSISDBHSA-N 2 1 298.430 3.590 20 0 CHADMP Cc1occc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000321005673 1121610780 /nfs/dbraw/zinc/61/07/80/1121610780.db2.gz SUQPFGAABVUOLA-GOSISDBHSA-N 2 1 298.430 3.590 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000513236995 1121676642 /nfs/dbraw/zinc/67/66/42/1121676642.db2.gz ROWLAOXHDTWBMC-WMZOPIPTSA-N 2 1 274.452 3.801 20 0 CHADMP CC(C)[C@@H]1CC[C@H]1[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000514096501 1121679168 /nfs/dbraw/zinc/67/91/68/1121679168.db2.gz WJQUAJJKVDGULC-XWTMOSNGSA-N 2 1 280.500 3.769 20 0 CHADMP CC[N@@H+]1CCC[C@@H]1CNCc1cccc(C2CCCC2)c1 ZINC001177066316 1121708880 /nfs/dbraw/zinc/70/88/80/1121708880.db2.gz SBUSALUBIJTQGA-LJQANCHMSA-N 2 1 286.463 3.918 20 0 CHADMP CC[N@H+]1CCC[C@@H]1CNCc1cccc(C2CCCC2)c1 ZINC001177066316 1121708884 /nfs/dbraw/zinc/70/88/84/1121708884.db2.gz SBUSALUBIJTQGA-LJQANCHMSA-N 2 1 286.463 3.918 20 0 CHADMP Cc1ccc([C@H](C)CC[N@H+]2CCC[C@](C)(C[NH3+])CC2)o1 ZINC001206294265 1121713207 /nfs/dbraw/zinc/71/32/07/1121713207.db2.gz JYMXFFNQIAMBBI-PBHICJAKSA-N 2 1 278.440 3.533 20 0 CHADMP Cc1ccc([C@@H](C)CC[N@H+]2CCC[C@@](C)(C[NH3+])CC2)o1 ZINC001206294280 1121714068 /nfs/dbraw/zinc/71/40/68/1121714068.db2.gz JYMXFFNQIAMBBI-WMLDXEAASA-N 2 1 278.440 3.533 20 0 CHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C1CCCC1 ZINC001177104288 1121714193 /nfs/dbraw/zinc/71/41/93/1121714193.db2.gz OOZZOWYMYKTKHJ-UHFFFAOYSA-N 2 1 274.452 3.677 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206295155 1121716466 /nfs/dbraw/zinc/71/64/66/1121716466.db2.gz LTFNXPLPASHJRX-VGOKWCNXSA-N 2 1 266.473 3.964 20 0 CHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ccoc2)C1 ZINC000727466075 1121720872 /nfs/dbraw/zinc/72/08/72/1121720872.db2.gz SRGYUWRTXBGSJY-MRXNPFEDSA-N 2 1 298.430 3.801 20 0 CHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccoc2)C1 ZINC000727466075 1121720877 /nfs/dbraw/zinc/72/08/77/1121720877.db2.gz SRGYUWRTXBGSJY-MRXNPFEDSA-N 2 1 298.430 3.801 20 0 CHADMP Cc1cc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cs1 ZINC001177294391 1121720869 /nfs/dbraw/zinc/72/08/69/1121720869.db2.gz IYRVLFNGXVERRI-KBPBESRZSA-N 2 1 280.481 3.514 20 0 CHADMP CS[C@@H]1CCC[C@H]([NH2+]C[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001177441844 1121731962 /nfs/dbraw/zinc/73/19/62/1121731962.db2.gz JKYNWOOWGVDWQJ-NXOAAHMSSA-N 2 1 298.540 3.761 20 0 CHADMP CC[C@@H](C[NH2+]CC[N@H+](CC)C(C)C)c1ccccc1 ZINC001177612262 1121742827 /nfs/dbraw/zinc/74/28/27/1121742827.db2.gz UHCJVPLPLMDBNJ-INIZCTEOSA-N 2 1 262.441 3.500 20 0 CHADMP CC[C@@H](C[NH2+]CC[N@@H+](CC)C(C)C)c1ccccc1 ZINC001177612262 1121742832 /nfs/dbraw/zinc/74/28/32/1121742832.db2.gz UHCJVPLPLMDBNJ-INIZCTEOSA-N 2 1 262.441 3.500 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(C2CCC2)cc1 ZINC000631564345 1129006749 /nfs/dbraw/zinc/00/67/49/1129006749.db2.gz KCGKDYJQQMTVLH-AWEZNQCLSA-N 2 1 272.436 3.699 20 0 CHADMP CC1=CC[C@H](CC[N@H+]2CCCC3(CC[NH2+]CC3)C2)C1(C)C ZINC001204727678 1121755439 /nfs/dbraw/zinc/75/54/39/1121755439.db2.gz JLTKRJYNCXHACU-QGZVFWFLSA-N 2 1 290.495 3.835 20 0 CHADMP CCCc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1 ZINC001206311254 1121757108 /nfs/dbraw/zinc/75/71/08/1121757108.db2.gz LHWDDZLMGIDMDU-SFHVURJKSA-N 2 1 274.452 3.590 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc(C)c1Cl ZINC001206324819 1121776699 /nfs/dbraw/zinc/77/66/99/1121776699.db2.gz DORCQCQFWFVMOW-KRWDZBQOSA-N 2 1 294.870 3.908 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(F)cc1Cl ZINC001206326949 1121781787 /nfs/dbraw/zinc/78/17/87/1121781787.db2.gz RAUUDRMDYJGPNR-MRXNPFEDSA-N 2 1 298.833 3.738 20 0 CHADMP CCCC1CCC([NH2+]C[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001178661013 1121804310 /nfs/dbraw/zinc/80/43/10/1121804310.db2.gz DGKDKTDMFQJSMK-JCYILVPMSA-N 2 1 266.473 3.809 20 0 CHADMP CCCC1CCC([NH2+]C[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001178661013 1121804319 /nfs/dbraw/zinc/80/43/19/1121804319.db2.gz DGKDKTDMFQJSMK-JCYILVPMSA-N 2 1 266.473 3.809 20 0 CHADMP CC[N@@H+](Cc1csc2ccccc12)[C@@H]1CCC[NH2+]CC1 ZINC000345195407 1121852468 /nfs/dbraw/zinc/85/24/68/1121852468.db2.gz AWRAQNHHKQOXLA-OAHLLOKOSA-N 2 1 288.460 3.865 20 0 CHADMP CC1CC(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC001179228429 1121862460 /nfs/dbraw/zinc/86/24/60/1121862460.db2.gz IJRFPTOGWWTNJW-UHFFFAOYSA-N 2 1 288.479 3.780 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCSC2CCCCC2)[C@H](C)C1 ZINC000501035658 1121946240 /nfs/dbraw/zinc/94/62/40/1121946240.db2.gz IPXRGOXLDFGRSG-WBVHZDCISA-N 2 1 298.540 3.714 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCCC12CC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000631666383 1129020190 /nfs/dbraw/zinc/02/01/90/1129020190.db2.gz YARNRCNKTBMJQZ-YTQUADARSA-N 2 1 298.474 3.819 20 0 CHADMP Cc1cccc2[nH]c(CN(C)CC[C@H]3CCCC[N@H+]3C)cc21 ZINC001180099129 1121952326 /nfs/dbraw/zinc/95/23/26/1121952326.db2.gz URPBQRNJEPLPHX-QGZVFWFLSA-N 2 1 299.462 3.783 20 0 CHADMP Cc1cccc2[nH]c(C[N@H+](C)CC[C@H]3CCCC[NH+]3C)cc21 ZINC001180099129 1121952331 /nfs/dbraw/zinc/95/23/31/1121952331.db2.gz URPBQRNJEPLPHX-QGZVFWFLSA-N 2 1 299.462 3.783 20 0 CHADMP Cc1cccc2[nH]c(C[N@@H+](C)CC[C@H]3CCCC[NH+]3C)cc21 ZINC001180099129 1121952336 /nfs/dbraw/zinc/95/23/36/1121952336.db2.gz URPBQRNJEPLPHX-QGZVFWFLSA-N 2 1 299.462 3.783 20 0 CHADMP Cc1cccc2[nH]c(C[NH+](C)CC[C@H]3CCCC[N@@H+]3C)cc21 ZINC001180099129 1121952341 /nfs/dbraw/zinc/95/23/41/1121952341.db2.gz URPBQRNJEPLPHX-QGZVFWFLSA-N 2 1 299.462 3.783 20 0 CHADMP Cc1cccc2[nH]c(C[NH+](C)CC[C@H]3CCCC[N@H+]3C)cc21 ZINC001180099129 1121952345 /nfs/dbraw/zinc/95/23/45/1121952345.db2.gz URPBQRNJEPLPHX-QGZVFWFLSA-N 2 1 299.462 3.783 20 0 CHADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2Oc2ccccc2)C1 ZINC000420291818 1121993725 /nfs/dbraw/zinc/99/37/25/1121993725.db2.gz LBCAAZQXUHTWIA-MRXNPFEDSA-N 2 1 296.414 3.520 20 0 CHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2Oc2ccccc2)C1 ZINC000420291818 1121993728 /nfs/dbraw/zinc/99/37/28/1121993728.db2.gz LBCAAZQXUHTWIA-MRXNPFEDSA-N 2 1 296.414 3.520 20 0 CHADMP Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420295715 1121994939 /nfs/dbraw/zinc/99/49/39/1121994939.db2.gz CMDNSVYOKNZBBS-WDSOQIARSA-N 2 1 286.463 3.563 20 0 CHADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1-c1ccccc1 ZINC000420297423 1121995536 /nfs/dbraw/zinc/99/55/36/1121995536.db2.gz DIJVRPHIWVVVTL-KRWDZBQOSA-N 2 1 294.442 3.785 20 0 CHADMP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420301072 1121996778 /nfs/dbraw/zinc/99/67/78/1121996778.db2.gz KZVVNZCKESFBSO-QXAKKESOSA-N 2 1 286.463 3.644 20 0 CHADMP Cc1ccc(C)c([C@@H](C)[N@@H+](C)CC[C@H]2CCC[NH2+]C2)c1 ZINC000420301581 1121997828 /nfs/dbraw/zinc/99/78/28/1121997828.db2.gz LMPWYONJZKJSAA-IAGOWNOFSA-N 2 1 274.452 3.686 20 0 CHADMP [NH3+]CCC[N@@H+](CCCc1ccsc1)Cc1ccccc1 ZINC000420316426 1122000784 /nfs/dbraw/zinc/00/07/84/1122000784.db2.gz SQUSAGIXCCYHCJ-UHFFFAOYSA-N 2 1 288.460 3.532 20 0 CHADMP CC(C)C1(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC001181489124 1122058616 /nfs/dbraw/zinc/05/86/16/1122058616.db2.gz WPKAQLNDLMZMSM-UHFFFAOYSA-N 2 1 274.452 3.616 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC001182152080 1122114402 /nfs/dbraw/zinc/11/44/02/1122114402.db2.gz IGOVTZVHXBDIOG-OIISXLGYSA-N 2 1 266.473 3.665 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC001182152080 1122114405 /nfs/dbraw/zinc/11/44/05/1122114405.db2.gz IGOVTZVHXBDIOG-OIISXLGYSA-N 2 1 266.473 3.665 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]CCc1cccc(Cl)c1 ZINC001182152996 1122116352 /nfs/dbraw/zinc/11/63/52/1122116352.db2.gz VIPOIEKYUIFWKV-CQSZACIVSA-N 2 1 282.859 3.593 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]CCc1cccc(Cl)c1 ZINC001182152996 1122116356 /nfs/dbraw/zinc/11/63/56/1122116356.db2.gz VIPOIEKYUIFWKV-CQSZACIVSA-N 2 1 282.859 3.593 20 0 CHADMP CC(C)[C@@H](C[NH2+]CC[N@@H+]1CCCC1(C)C)c1ccccc1 ZINC001182308747 1122136176 /nfs/dbraw/zinc/13/61/76/1122136176.db2.gz KLDAJJCFOWPLRF-GOSISDBHSA-N 2 1 288.479 3.890 20 0 CHADMP CC(C)[C@@H](C[NH2+]CC[N@H+]1CCCC1(C)C)c1ccccc1 ZINC001182308747 1122136181 /nfs/dbraw/zinc/13/61/81/1122136181.db2.gz KLDAJJCFOWPLRF-GOSISDBHSA-N 2 1 288.479 3.890 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1Cc1ccccc1 ZINC000502694568 1122137988 /nfs/dbraw/zinc/13/79/88/1122137988.db2.gz RGTZFVJCTDSCBU-MOPGFXCFSA-N 2 1 286.463 3.568 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000502694568 1122137991 /nfs/dbraw/zinc/13/79/91/1122137991.db2.gz RGTZFVJCTDSCBU-MOPGFXCFSA-N 2 1 286.463 3.568 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000502694568 1122137996 /nfs/dbraw/zinc/13/79/96/1122137996.db2.gz RGTZFVJCTDSCBU-MOPGFXCFSA-N 2 1 286.463 3.568 20 0 CHADMP Cc1cc([C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)oc1C ZINC000502724716 1122144733 /nfs/dbraw/zinc/14/47/33/1122144733.db2.gz FWEIBLAWPPSVOO-BBRMVZONSA-N 2 1 280.456 3.913 20 0 CHADMP CC(C)[NH+](CC[C@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC000502744005 1122145315 /nfs/dbraw/zinc/14/53/15/1122145315.db2.gz PDYNJUOOWRPHEO-OAHLLOKOSA-N 2 1 252.446 3.514 20 0 CHADMP CC(C)[NH+](CC[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000502744005 1122145317 /nfs/dbraw/zinc/14/53/17/1122145317.db2.gz PDYNJUOOWRPHEO-OAHLLOKOSA-N 2 1 252.446 3.514 20 0 CHADMP CC(C)[N@@H+](CC[C@H]1CCC[NH+]1C)C1CCCCC1 ZINC000502744005 1122145312 /nfs/dbraw/zinc/14/53/12/1122145312.db2.gz PDYNJUOOWRPHEO-OAHLLOKOSA-N 2 1 252.446 3.514 20 0 CHADMP CC(C)[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CCCCC1 ZINC000502744004 1122145540 /nfs/dbraw/zinc/14/55/40/1122145540.db2.gz PDYNJUOOWRPHEO-HNNXBMFYSA-N 2 1 252.446 3.514 20 0 CHADMP CC(C)[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC000502744004 1122145544 /nfs/dbraw/zinc/14/55/44/1122145544.db2.gz PDYNJUOOWRPHEO-HNNXBMFYSA-N 2 1 252.446 3.514 20 0 CHADMP CC(C)[NH+](CC[C@@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000502744004 1122145548 /nfs/dbraw/zinc/14/55/48/1122145548.db2.gz PDYNJUOOWRPHEO-HNNXBMFYSA-N 2 1 252.446 3.514 20 0 CHADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@H]1c1cccc(F)c1 ZINC000502913366 1122156289 /nfs/dbraw/zinc/15/62/89/1122156289.db2.gz IKIWQJAACRIKJY-FHLIZLRMSA-N 2 1 290.426 3.693 20 0 CHADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@H]1c1cccc(F)c1 ZINC000502913366 1122156292 /nfs/dbraw/zinc/15/62/92/1122156292.db2.gz IKIWQJAACRIKJY-FHLIZLRMSA-N 2 1 290.426 3.693 20 0 CHADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)[C@H]1c1cccc(F)c1 ZINC000502913366 1122156295 /nfs/dbraw/zinc/15/62/95/1122156295.db2.gz IKIWQJAACRIKJY-FHLIZLRMSA-N 2 1 290.426 3.693 20 0 CHADMP CCCCC[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000503072923 1122165668 /nfs/dbraw/zinc/16/56/68/1122165668.db2.gz LOKKUDZGHJNISM-HOTGVXAUSA-N 2 1 252.446 3.515 20 0 CHADMP CC1=C(C)C[C@H]([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC001182908913 1122196082 /nfs/dbraw/zinc/19/60/82/1122196082.db2.gz DDVMSIVLEXGTAE-RCCFBDPRSA-N 2 1 278.484 3.833 20 0 CHADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205257183 1122209096 /nfs/dbraw/zinc/20/90/96/1122209096.db2.gz TWOCZTAEFKOLDC-AEFFLSMTSA-N 2 1 298.515 3.811 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2(C)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000272884543 1122214641 /nfs/dbraw/zinc/21/46/41/1122214641.db2.gz NXBZVEHCJTZURZ-RDJZCZTQSA-N 2 1 272.436 3.572 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2(C)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000272884543 1122214648 /nfs/dbraw/zinc/21/46/48/1122214648.db2.gz NXBZVEHCJTZURZ-RDJZCZTQSA-N 2 1 272.436 3.572 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2(C)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000272884540 1122215381 /nfs/dbraw/zinc/21/53/81/1122215381.db2.gz NXBZVEHCJTZURZ-DOTOQJQBSA-N 2 1 272.436 3.572 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2(C)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000272884540 1122215387 /nfs/dbraw/zinc/21/53/87/1122215387.db2.gz NXBZVEHCJTZURZ-DOTOQJQBSA-N 2 1 272.436 3.572 20 0 CHADMP C[N@@H+]([C@H]1CC[C@@](C)(c2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414655378 1122254280 /nfs/dbraw/zinc/25/42/80/1122254280.db2.gz KXBRKYSNIJHKLD-YNZYKWNJSA-N 2 1 298.474 3.712 20 0 CHADMP C[C@@H]1C[C@@]1([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000503368534 1122256611 /nfs/dbraw/zinc/25/66/11/1122256611.db2.gz DMQUJXWIUMRZDG-XYPHTWIQSA-N 2 1 292.854 3.649 20 0 CHADMP C[C@@H](CC[N@@H+](C)CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001184195784 1122263907 /nfs/dbraw/zinc/26/39/07/1122263907.db2.gz BICJFEAHTYBYKA-INIZCTEOSA-N 2 1 276.468 3.700 20 0 CHADMP Cc1ccc(C[N@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)cc1C ZINC001184373961 1122273315 /nfs/dbraw/zinc/27/33/15/1122273315.db2.gz HIPOGPNDBYHCST-UHFFFAOYSA-N 2 1 274.452 3.656 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc(C)c1Cl ZINC001205297147 1122275477 /nfs/dbraw/zinc/27/54/77/1122275477.db2.gz ZXLLHNKMCMFBHA-MRXNPFEDSA-N 2 1 280.843 3.660 20 0 CHADMP Cc1c(C)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)ccc1Cl ZINC001205296739 1122276042 /nfs/dbraw/zinc/27/60/42/1122276042.db2.gz TYNDJKXDZSQNQG-INIZCTEOSA-N 2 1 280.843 3.660 20 0 CHADMP CC(C)c1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1Cl ZINC001205317307 1122301769 /nfs/dbraw/zinc/30/17/69/1122301769.db2.gz NKWDPGYQQPFLGJ-HIFRSBDPSA-N 2 1 294.870 3.880 20 0 CHADMP CC(C)c1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1Cl ZINC001205317307 1122301774 /nfs/dbraw/zinc/30/17/74/1122301774.db2.gz NKWDPGYQQPFLGJ-HIFRSBDPSA-N 2 1 294.870 3.880 20 0 CHADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccccc1-c1cccs1 ZINC001205326261 1122326461 /nfs/dbraw/zinc/32/64/61/1122326461.db2.gz XDEHSDMAPPROPA-AWEZNQCLSA-N 2 1 286.444 3.599 20 0 CHADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccccc1-c1cccs1 ZINC001205326261 1122326462 /nfs/dbraw/zinc/32/64/62/1122326462.db2.gz XDEHSDMAPPROPA-AWEZNQCLSA-N 2 1 286.444 3.599 20 0 CHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CC4CC4)[C@H]3C2)cc1 ZINC000514103651 1122375966 /nfs/dbraw/zinc/37/59/66/1122375966.db2.gz DFQCWVVPKSHUNJ-UFYCRDLUSA-N 2 1 298.474 3.677 20 0 CHADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C(C)(C)C)s3)C2)C1 ZINC000430113413 1122406712 /nfs/dbraw/zinc/40/67/12/1122406712.db2.gz KSSIVGIAUITXCS-QGZVFWFLSA-N 2 1 292.492 3.573 20 0 CHADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C(C)(C)C)s3)C2)C1 ZINC000430113413 1122406713 /nfs/dbraw/zinc/40/67/13/1122406713.db2.gz KSSIVGIAUITXCS-QGZVFWFLSA-N 2 1 292.492 3.573 20 0 CHADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(C(C)(C)C)s3)C2)C1 ZINC000430113413 1122406715 /nfs/dbraw/zinc/40/67/15/1122406715.db2.gz KSSIVGIAUITXCS-QGZVFWFLSA-N 2 1 292.492 3.573 20 0 CHADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(C(C)(C)C)s3)C2)C1 ZINC000430113413 1122406716 /nfs/dbraw/zinc/40/67/16/1122406716.db2.gz KSSIVGIAUITXCS-QGZVFWFLSA-N 2 1 292.492 3.573 20 0 CHADMP Cc1ccc2cc([C@H](C)[NH2+]C[C@H]3CCCN(C)C3)oc2c1 ZINC000515009365 1122470234 /nfs/dbraw/zinc/47/02/34/1122470234.db2.gz DSJQJHYSKQBDBY-LSDHHAIUSA-N 2 1 286.419 3.734 20 0 CHADMP Cc1ccc2cc([C@H](C)[NH2+]C[C@H]3CCC[N@H+](C)C3)oc2c1 ZINC000515009365 1122470235 /nfs/dbraw/zinc/47/02/35/1122470235.db2.gz DSJQJHYSKQBDBY-LSDHHAIUSA-N 2 1 286.419 3.734 20 0 CHADMP Cc1ccc2cc([C@H](C)[NH2+]C[C@H]3CCC[N@@H+](C)C3)oc2c1 ZINC000515009365 1122470237 /nfs/dbraw/zinc/47/02/37/1122470237.db2.gz DSJQJHYSKQBDBY-LSDHHAIUSA-N 2 1 286.419 3.734 20 0 CHADMP Cc1ccc2cc([C@@H](C)[NH2+]C[C@H]3CCCN(C)C3)oc2c1 ZINC000515009364 1122470567 /nfs/dbraw/zinc/47/05/67/1122470567.db2.gz DSJQJHYSKQBDBY-HUUCEWRRSA-N 2 1 286.419 3.734 20 0 CHADMP Cc1ccc2cc([C@@H](C)[NH2+]C[C@H]3CCC[N@H+](C)C3)oc2c1 ZINC000515009364 1122470574 /nfs/dbraw/zinc/47/05/74/1122470574.db2.gz DSJQJHYSKQBDBY-HUUCEWRRSA-N 2 1 286.419 3.734 20 0 CHADMP Cc1ccc2cc([C@@H](C)[NH2+]C[C@H]3CCC[N@@H+](C)C3)oc2c1 ZINC000515009364 1122470577 /nfs/dbraw/zinc/47/05/77/1122470577.db2.gz DSJQJHYSKQBDBY-HUUCEWRRSA-N 2 1 286.419 3.734 20 0 CHADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000436255762 1122528748 /nfs/dbraw/zinc/52/87/48/1122528748.db2.gz YUNBFVTWBGRKNB-CGTJXYLNSA-N 2 1 274.452 3.643 20 0 CHADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000436255762 1122528749 /nfs/dbraw/zinc/52/87/49/1122528749.db2.gz YUNBFVTWBGRKNB-CGTJXYLNSA-N 2 1 274.452 3.643 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000436289856 1122533900 /nfs/dbraw/zinc/53/39/00/1122533900.db2.gz HRAAABJYIHAGGJ-CZIWCDLHSA-N 2 1 292.854 3.660 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000436317688 1122537044 /nfs/dbraw/zinc/53/70/44/1122537044.db2.gz WIFKKZDEDGMRFI-ODVANORSSA-N 2 1 292.854 3.516 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000436317688 1122537045 /nfs/dbraw/zinc/53/70/45/1122537045.db2.gz WIFKKZDEDGMRFI-ODVANORSSA-N 2 1 292.854 3.516 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cccs1 ZINC001167961412 1122593953 /nfs/dbraw/zinc/59/39/53/1122593953.db2.gz KBJCCMSRBYMTOZ-WWTUQBGBSA-N 2 1 290.476 3.804 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](C)C2CCCCC2)C1 ZINC001191367585 1122596731 /nfs/dbraw/zinc/59/67/31/1122596731.db2.gz QHRMMJRKIVJTAW-IRXDYDNUSA-N 2 1 280.500 3.867 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](C)C2CCCCC2)C1 ZINC001191367585 1122596735 /nfs/dbraw/zinc/59/67/35/1122596735.db2.gz QHRMMJRKIVJTAW-IRXDYDNUSA-N 2 1 280.500 3.867 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000516743496 1122625111 /nfs/dbraw/zinc/62/51/11/1122625111.db2.gz LMOWZHLKLYSCIL-SFHVURJKSA-N 2 1 274.452 3.516 20 0 CHADMP Cc1ccc2cc([C@@H](C)[NH2+]CCC[NH+]3CCCC3)oc2c1 ZINC000425915268 1122659709 /nfs/dbraw/zinc/65/97/09/1122659709.db2.gz IPFYPYZNSBEZIH-OAHLLOKOSA-N 2 1 286.419 3.878 20 0 CHADMP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000425938336 1122669525 /nfs/dbraw/zinc/66/95/25/1122669525.db2.gz PPJXSCOQOXVUME-QWHCGFSZSA-N 2 1 298.858 3.587 20 0 CHADMP CC[C@H](C[NH2+]Cc1c(C)cc(C)cc1C)[NH+]1CCCC1 ZINC000517538128 1122682741 /nfs/dbraw/zinc/68/27/41/1122682741.db2.gz LJHPXTLPHNQWND-QGZVFWFLSA-N 2 1 274.452 3.576 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2ccc3cccccc2-3)CC[C@H]1C[NH3+] ZINC001205651656 1122742369 /nfs/dbraw/zinc/74/23/69/1122742369.db2.gz HXLIGTGMZIYOBA-WBVHZDCISA-N 2 1 282.431 3.598 20 0 CHADMP CCSc1ccccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205652263 1122746754 /nfs/dbraw/zinc/74/67/54/1122746754.db2.gz OUMXFEOWHQXOGA-CABCVRRESA-N 2 1 292.492 3.605 20 0 CHADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[C@@H]3CCC[C@@H]31)C2 ZINC001167968174 1122848844 /nfs/dbraw/zinc/84/88/44/1122848844.db2.gz NPQJFWDYORYBMV-IEZPQTAPSA-N 2 1 288.479 3.560 20 0 CHADMP CC1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638722782 1122854044 /nfs/dbraw/zinc/85/40/44/1122854044.db2.gz VDHSHKLGOPUTDL-FUHWJXTLSA-N 2 1 284.447 3.744 20 0 CHADMP CC1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638722782 1122854048 /nfs/dbraw/zinc/85/40/48/1122854048.db2.gz VDHSHKLGOPUTDL-FUHWJXTLSA-N 2 1 284.447 3.744 20 0 CHADMP C[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CCC[C@@H]1C ZINC001167985083 1122945415 /nfs/dbraw/zinc/94/54/15/1122945415.db2.gz VCVXMXPPJZBPML-LQJGXABVSA-N 2 1 290.495 3.760 20 0 CHADMP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCC[C@@H]1C ZINC001167985083 1122945418 /nfs/dbraw/zinc/94/54/18/1122945418.db2.gz VCVXMXPPJZBPML-LQJGXABVSA-N 2 1 290.495 3.760 20 0 CHADMP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCC[C@@H]1C ZINC001167985083 1122945419 /nfs/dbraw/zinc/94/54/19/1122945419.db2.gz VCVXMXPPJZBPML-LQJGXABVSA-N 2 1 290.495 3.760 20 0 CHADMP CCCCCC[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC001197845328 1122970542 /nfs/dbraw/zinc/97/05/42/1122970542.db2.gz XDAJRKAKMCQIQL-UHFFFAOYSA-N 2 1 263.429 3.786 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1cccc(F)c1 ZINC000187964785 1122982059 /nfs/dbraw/zinc/98/20/59/1122982059.db2.gz SXSDWFSGSASGBR-QAPCUYQASA-N 2 1 292.442 3.987 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001203314966 1122983960 /nfs/dbraw/zinc/98/39/60/1122983960.db2.gz XKGLSCIJINDFRP-ZWKOTPCHSA-N 2 1 272.436 3.525 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001203314966 1122983962 /nfs/dbraw/zinc/98/39/62/1122983962.db2.gz XKGLSCIJINDFRP-ZWKOTPCHSA-N 2 1 272.436 3.525 20 0 CHADMP C[C@@]1(C[NH2+]Cc2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000307007185 1123002150 /nfs/dbraw/zinc/00/21/50/1123002150.db2.gz GCKZRIZOIOVAFI-FQEVSTJZSA-N 2 1 294.442 3.688 20 0 CHADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCCC34CC4)CC2)cc1 ZINC000519719400 1123018370 /nfs/dbraw/zinc/01/83/70/1123018370.db2.gz WWEDEIFLPMDJQI-LJQANCHMSA-N 2 1 298.474 3.616 20 0 CHADMP CC[C@H](F)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000440600517 1123019108 /nfs/dbraw/zinc/01/91/08/1123019108.db2.gz RCXNPFICCFLSJK-WFASDCNBSA-N 2 1 275.371 3.579 20 0 CHADMP Cc1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c(F)c1 ZINC001199336498 1123027919 /nfs/dbraw/zinc/02/79/19/1123027919.db2.gz PQAIEXXMUKOEQY-MRXNPFEDSA-N 2 1 292.442 3.878 20 0 CHADMP CCCCCC[C@@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000121520811 1123028436 /nfs/dbraw/zinc/02/84/36/1123028436.db2.gz JJTLUZAFWJOLJS-LSDHHAIUSA-N 2 1 265.445 3.776 20 0 CHADMP CC[C@@H](F)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000440715867 1123033572 /nfs/dbraw/zinc/03/35/72/1123033572.db2.gz RFGKKDFITVHXOA-GOSISDBHSA-N 2 1 292.442 3.579 20 0 CHADMP CCC1CCC([NH2+][C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001199709410 1123037606 /nfs/dbraw/zinc/03/76/06/1123037606.db2.gz YGHVUPHATFCDHY-NUWOQIAWSA-N 2 1 266.473 3.665 20 0 CHADMP CCC1CCC([NH2+][C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001199709410 1123037611 /nfs/dbraw/zinc/03/76/11/1123037611.db2.gz YGHVUPHATFCDHY-NUWOQIAWSA-N 2 1 266.473 3.665 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(CC(C)C)cc2)C1 ZINC001199742437 1123038391 /nfs/dbraw/zinc/03/83/91/1123038391.db2.gz CEUBBGVYXOFJMV-LJQANCHMSA-N 2 1 288.479 3.707 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCC[C@H](c2ccccc2)C1 ZINC001199864431 1123043156 /nfs/dbraw/zinc/04/31/56/1123043156.db2.gz KSIAWPWKJLOVGB-OALUTQOASA-N 2 1 297.446 3.898 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)s1 ZINC000164706367 1123048998 /nfs/dbraw/zinc/04/89/98/1123048998.db2.gz CCSFOLCKZLGNDA-CYBMUJFWSA-N 2 1 291.464 3.946 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1csc2ccccc12 ZINC000105443171 1123051985 /nfs/dbraw/zinc/05/19/85/1123051985.db2.gz QVWHRHZVEONYBZ-CYBMUJFWSA-N 2 1 299.443 3.832 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205903056 1123066357 /nfs/dbraw/zinc/06/63/57/1123066357.db2.gz NFQNLNOKMLXZOF-KBPBESRZSA-N 2 1 288.460 3.769 20 0 CHADMP C[C@H](CCc1ccccc1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441345211 1123081436 /nfs/dbraw/zinc/08/14/36/1123081436.db2.gz FPUIMIAWDFPZJL-MJGOQNOKSA-N 2 1 288.479 3.814 20 0 CHADMP C[C@H](CCc1ccccc1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441345211 1123081439 /nfs/dbraw/zinc/08/14/39/1123081439.db2.gz FPUIMIAWDFPZJL-MJGOQNOKSA-N 2 1 288.479 3.814 20 0 CHADMP C[C@H](CCc1ccccc1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441345211 1123081442 /nfs/dbraw/zinc/08/14/42/1123081442.db2.gz FPUIMIAWDFPZJL-MJGOQNOKSA-N 2 1 288.479 3.814 20 0 CHADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC001205915233 1123083354 /nfs/dbraw/zinc/08/33/54/1123083354.db2.gz OXIFHRMDRZMHKQ-KDOFPFPSSA-N 2 1 272.436 3.513 20 0 CHADMP CSc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205917500 1123102617 /nfs/dbraw/zinc/10/26/17/1123102617.db2.gz ZGUVRVFXHLRRFW-RYUDHWBXSA-N 2 1 298.883 3.621 20 0 CHADMP CSc1cccc(Cl)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205917500 1123102618 /nfs/dbraw/zinc/10/26/18/1123102618.db2.gz ZGUVRVFXHLRRFW-RYUDHWBXSA-N 2 1 298.883 3.621 20 0 CHADMP CC[C@H]1CCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995311 1123106197 /nfs/dbraw/zinc/10/61/97/1123106197.db2.gz ZTBDIWIPDNBAPH-XNHLSEOASA-N 2 1 276.468 3.656 20 0 CHADMP CC[C@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995311 1123106200 /nfs/dbraw/zinc/10/62/00/1123106200.db2.gz ZTBDIWIPDNBAPH-XNHLSEOASA-N 2 1 276.468 3.656 20 0 CHADMP CC[C@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995311 1123106201 /nfs/dbraw/zinc/10/62/01/1123106201.db2.gz ZTBDIWIPDNBAPH-XNHLSEOASA-N 2 1 276.468 3.656 20 0 CHADMP CC(C)=CCC[C@@H](C)C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001201499655 1123112516 /nfs/dbraw/zinc/11/25/16/1123112516.db2.gz NZRSDGQARZOISS-MRXNPFEDSA-N 2 1 264.457 3.539 20 0 CHADMP Cc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1C ZINC001201558161 1123123239 /nfs/dbraw/zinc/12/32/39/1123123239.db2.gz PVDNXELKPAPBFG-SFHVURJKSA-N 2 1 288.479 3.761 20 0 CHADMP CCCCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001201737581 1123143287 /nfs/dbraw/zinc/14/32/87/1123143287.db2.gz VQEMYFSOEJKNEJ-RTBURBONSA-N 2 1 286.463 3.631 20 0 CHADMP CCCCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201737581 1123143288 /nfs/dbraw/zinc/14/32/88/1123143288.db2.gz VQEMYFSOEJKNEJ-RTBURBONSA-N 2 1 286.463 3.631 20 0 CHADMP CCCCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201737581 1123143289 /nfs/dbraw/zinc/14/32/89/1123143289.db2.gz VQEMYFSOEJKNEJ-RTBURBONSA-N 2 1 286.463 3.631 20 0 CHADMP CCCCC[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001201737540 1123143443 /nfs/dbraw/zinc/14/34/43/1123143443.db2.gz SXUQPKBIHVOHPG-UHFFFAOYSA-N 2 1 286.463 3.699 20 0 CHADMP CCCCC[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001201737540 1123143444 /nfs/dbraw/zinc/14/34/44/1123143444.db2.gz SXUQPKBIHVOHPG-UHFFFAOYSA-N 2 1 286.463 3.699 20 0 CHADMP CCCCCC[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001201746413 1123145208 /nfs/dbraw/zinc/14/52/08/1123145208.db2.gz GNNMQOBTMUIBLQ-IYBDPMFKSA-N 2 1 292.492 3.692 20 0 CHADMP CCCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001201746413 1123145209 /nfs/dbraw/zinc/14/52/09/1123145209.db2.gz GNNMQOBTMUIBLQ-IYBDPMFKSA-N 2 1 292.492 3.692 20 0 CHADMP CCCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001201746413 1123145211 /nfs/dbraw/zinc/14/52/11/1123145211.db2.gz GNNMQOBTMUIBLQ-IYBDPMFKSA-N 2 1 292.492 3.692 20 0 CHADMP CCCCCC[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001201746413 1123145212 /nfs/dbraw/zinc/14/52/12/1123145212.db2.gz GNNMQOBTMUIBLQ-IYBDPMFKSA-N 2 1 292.492 3.692 20 0 CHADMP Cc1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1Cl ZINC000507808562 1123215442 /nfs/dbraw/zinc/21/54/42/1123215442.db2.gz BELYIQWQXWBLBG-NVXWUHKLSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1Cl ZINC000507808562 1123215443 /nfs/dbraw/zinc/21/54/43/1123215443.db2.gz BELYIQWQXWBLBG-NVXWUHKLSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1Cl ZINC000507808562 1123215446 /nfs/dbraw/zinc/21/54/46/1123215446.db2.gz BELYIQWQXWBLBG-NVXWUHKLSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1Cl ZINC000507808562 1123215449 /nfs/dbraw/zinc/21/54/49/1123215449.db2.gz BELYIQWQXWBLBG-NVXWUHKLSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1Cl ZINC000507808562 1123215451 /nfs/dbraw/zinc/21/54/51/1123215451.db2.gz BELYIQWQXWBLBG-NVXWUHKLSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C2CCC2)cc1 ZINC000427691176 1123242074 /nfs/dbraw/zinc/24/20/74/1123242074.db2.gz SSKPJXKXSUVHII-AYOQOUSVSA-N 2 1 286.463 3.909 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C2CCC2)cc1 ZINC000427691176 1123242075 /nfs/dbraw/zinc/24/20/75/1123242075.db2.gz SSKPJXKXSUVHII-AYOQOUSVSA-N 2 1 286.463 3.909 20 0 CHADMP [NH3+]C1(C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CCCC1 ZINC000665248988 1123259122 /nfs/dbraw/zinc/25/91/22/1123259122.db2.gz HNQSWEKSJNLGKF-CYBMUJFWSA-N 2 1 296.867 3.738 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@@H]([NH3+])c3ccccc31)[C@H](C)C2 ZINC000665272930 1123302619 /nfs/dbraw/zinc/30/26/19/1123302619.db2.gz NRUAFJKQWUNVLY-AQWZQNETSA-N 2 1 292.426 3.963 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442932086 1123349185 /nfs/dbraw/zinc/34/91/85/1123349185.db2.gz WXMVHGMCSXJCQV-AWEZNQCLSA-N 2 1 280.843 3.518 20 0 CHADMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1csc(Cl)c1 ZINC000191132119 1123387976 /nfs/dbraw/zinc/38/79/76/1123387976.db2.gz VMGSYUTWTVBRTK-LLVKDONJSA-N 2 1 272.845 3.538 20 0 CHADMP CCCC[NH+]1CCC([N@H+](C)Cc2cc(C)cc(F)c2)CC1 ZINC001143591834 1123415430 /nfs/dbraw/zinc/41/54/30/1123415430.db2.gz LOPLIWBPDWGBOV-UHFFFAOYSA-N 2 1 292.442 3.830 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(C)cc(F)c2)CC1 ZINC001143591834 1123415432 /nfs/dbraw/zinc/41/54/32/1123415432.db2.gz LOPLIWBPDWGBOV-UHFFFAOYSA-N 2 1 292.442 3.830 20 0 CHADMP CCCCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853240651 1123429383 /nfs/dbraw/zinc/42/93/83/1123429383.db2.gz QEEPQUVBPBXUOU-DOTOQJQBSA-N 2 1 266.473 3.667 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000535765369 1123468278 /nfs/dbraw/zinc/46/82/78/1123468278.db2.gz KYCVIAVIXJGZQC-SZMVWBNQSA-N 2 1 289.467 3.872 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000535765369 1123468280 /nfs/dbraw/zinc/46/82/80/1123468280.db2.gz KYCVIAVIXJGZQC-SZMVWBNQSA-N 2 1 289.467 3.872 20 0 CHADMP C1=C[C@H](C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000895527279 1123488555 /nfs/dbraw/zinc/48/85/55/1123488555.db2.gz LRRSTOFFPRDHLZ-HQRMLTQVSA-N 2 1 296.458 3.910 20 0 CHADMP C1=C[C@H](C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000895527279 1123488558 /nfs/dbraw/zinc/48/85/58/1123488558.db2.gz LRRSTOFFPRDHLZ-HQRMLTQVSA-N 2 1 296.458 3.910 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](c2ccccc2)C(C)C)C1 ZINC000474263541 1123497442 /nfs/dbraw/zinc/49/74/42/1123497442.db2.gz CYZJBECDSLDYRY-HKUYNNGSSA-N 2 1 288.479 3.700 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](c2ccccc2)C(C)C)C1 ZINC000474263541 1123497444 /nfs/dbraw/zinc/49/74/44/1123497444.db2.gz CYZJBECDSLDYRY-HKUYNNGSSA-N 2 1 288.479 3.700 20 0 CHADMP CCC1(CC)CCC([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000474424180 1123526146 /nfs/dbraw/zinc/52/61/46/1123526146.db2.gz BCFYWWNVOSABIX-GDBMZVCRSA-N 2 1 266.473 3.665 20 0 CHADMP CCC1(CC)CCC([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000474424180 1123526153 /nfs/dbraw/zinc/52/61/53/1123526153.db2.gz BCFYWWNVOSABIX-GDBMZVCRSA-N 2 1 266.473 3.665 20 0 CHADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000474465206 1123534735 /nfs/dbraw/zinc/53/47/35/1123534735.db2.gz WOKRTFRPXFWHEQ-JKSUJKDBSA-N 2 1 292.467 3.507 20 0 CHADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000474465201 1123535004 /nfs/dbraw/zinc/53/50/04/1123535004.db2.gz WOKRTFRPXFWHEQ-HOTGVXAUSA-N 2 1 292.467 3.507 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000474474019 1123536504 /nfs/dbraw/zinc/53/65/04/1123536504.db2.gz VLGHTCZGOOGHOC-UONOGXRCSA-N 2 1 294.870 3.906 20 0 CHADMP CC[N@H+](CC[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1)C(C)C ZINC000474597398 1123554397 /nfs/dbraw/zinc/55/43/97/1123554397.db2.gz ATXRJWQTKNKDLH-HZPDHXFCSA-N 2 1 292.467 3.507 20 0 CHADMP CC[N@@H+](CC[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1)C(C)C ZINC000474597398 1123554399 /nfs/dbraw/zinc/55/43/99/1123554399.db2.gz ATXRJWQTKNKDLH-HZPDHXFCSA-N 2 1 292.467 3.507 20 0 CHADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000474706729 1123573855 /nfs/dbraw/zinc/57/38/55/1123573855.db2.gz HSRRHJFCBNHWDM-XHSDSOJGSA-N 2 1 292.467 3.507 20 0 CHADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000474706729 1123573857 /nfs/dbraw/zinc/57/38/57/1123573857.db2.gz HSRRHJFCBNHWDM-XHSDSOJGSA-N 2 1 292.467 3.507 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)C2CCCC2)c1 ZINC000474716531 1123576390 /nfs/dbraw/zinc/57/63/90/1123576390.db2.gz XWNCWKLOFCMIFI-HNNXBMFYSA-N 2 1 274.452 3.807 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)CC1 ZINC000429540767 1123585041 /nfs/dbraw/zinc/58/50/41/1123585041.db2.gz UANHFAFGOMPVDE-IBGZPJMESA-N 2 1 282.431 3.756 20 0 CHADMP C[C@@H]1CCC[N@@H+]1[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168042593 1123595081 /nfs/dbraw/zinc/59/50/81/1123595081.db2.gz ZTSGWZMMTLMTCA-VXIBKDFQSA-N 2 1 286.463 3.912 20 0 CHADMP C[C@@H]1CCC[N@H+]1[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168042593 1123595084 /nfs/dbraw/zinc/59/50/84/1123595084.db2.gz ZTSGWZMMTLMTCA-VXIBKDFQSA-N 2 1 286.463 3.912 20 0 CHADMP C[C@@H]1CCC[NH+]1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168042593 1123595086 /nfs/dbraw/zinc/59/50/86/1123595086.db2.gz ZTSGWZMMTLMTCA-VXIBKDFQSA-N 2 1 286.463 3.912 20 0 CHADMP C[C@@H]1CCC[NH+]1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168042593 1123595091 /nfs/dbraw/zinc/59/50/91/1123595091.db2.gz ZTSGWZMMTLMTCA-VXIBKDFQSA-N 2 1 286.463 3.912 20 0 CHADMP CCC1([NH+](C)C)CC[NH+](Cc2ccc3cnccc3c2)CC1 ZINC000639378493 1123606319 /nfs/dbraw/zinc/60/63/19/1123606319.db2.gz FDKAIDVTVYYTRV-UHFFFAOYSA-N 2 1 297.446 3.541 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C(C)(C)C ZINC000157945039 1129135100 /nfs/dbraw/zinc/13/51/00/1129135100.db2.gz JJHCCVXGOZAVIL-GJZGRUSLSA-N 2 1 254.462 3.523 20 0 CHADMP Cc1nccn1CC[N@H+]1CCCC[C@@H]1c1ccc(C)cc1 ZINC000346300864 1123677413 /nfs/dbraw/zinc/67/74/13/1123677413.db2.gz DDPONZWPGVHVJJ-GOSISDBHSA-N 2 1 283.419 3.727 20 0 CHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H]2CCC(F)(F)C2)cc1 ZINC000859212761 1123690197 /nfs/dbraw/zinc/69/01/97/1123690197.db2.gz ONAGKVZQSDNBCK-INIZCTEOSA-N 2 1 296.405 3.615 20 0 CHADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc(C(F)F)c1 ZINC000281382011 1123701311 /nfs/dbraw/zinc/70/13/11/1123701311.db2.gz PEBNCZSKZHPANZ-UHFFFAOYSA-N 2 1 282.378 3.542 20 0 CHADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(C(F)F)c1 ZINC000281382011 1123701313 /nfs/dbraw/zinc/70/13/13/1123701313.db2.gz PEBNCZSKZHPANZ-UHFFFAOYSA-N 2 1 282.378 3.542 20 0 CHADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC000346639368 1123703869 /nfs/dbraw/zinc/70/38/69/1123703869.db2.gz KBJCDPUUMRFINV-HNAYVOBHSA-N 2 1 280.415 3.523 20 0 CHADMP CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)C1CCCCC1 ZINC000163273977 1129140298 /nfs/dbraw/zinc/14/02/98/1129140298.db2.gz MRCBNSFFUZABDW-RDJZCZTQSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)s2)CC[C@@H]1[NH3+] ZINC000347008745 1123741797 /nfs/dbraw/zinc/74/17/97/1123741797.db2.gz SDUFJWBBAFBPTN-BBRMVZONSA-N 2 1 286.444 3.584 20 0 CHADMP CC(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000192641331 1123745602 /nfs/dbraw/zinc/74/56/02/1123745602.db2.gz SZVZBUZJWWXYDE-XVLXNVKGSA-N 2 1 286.463 3.641 20 0 CHADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc3ccccc3c2)CC1 ZINC000475117609 1123795797 /nfs/dbraw/zinc/79/57/97/1123795797.db2.gz HYXKIZWOHUIOKL-UHFFFAOYSA-N 2 1 294.442 3.900 20 0 CHADMP Cc1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)ccc1Cl ZINC000475126627 1123797347 /nfs/dbraw/zinc/79/73/47/1123797347.db2.gz BOOPISCKGHSCPY-UHFFFAOYSA-N 2 1 292.854 3.709 20 0 CHADMP CC(C)c1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1 ZINC000475125534 1123797674 /nfs/dbraw/zinc/79/76/74/1123797674.db2.gz SXDVNSXFZINWGV-UHFFFAOYSA-N 2 1 286.463 3.870 20 0 CHADMP CCC[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccccn1 ZINC000158501213 1129146288 /nfs/dbraw/zinc/14/62/88/1129146288.db2.gz SVXHPXDYMVVJEP-DLBZAZTESA-N 2 1 289.467 3.777 20 0 CHADMP CCC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccccn1 ZINC000158501213 1129146291 /nfs/dbraw/zinc/14/62/91/1129146291.db2.gz SVXHPXDYMVVJEP-DLBZAZTESA-N 2 1 289.467 3.777 20 0 CHADMP C[C@@H]1CCC[N@H+]1Cc1cccc(-c2ccc3c(c2)C[NH2+]C3)c1 ZINC000863690680 1123890638 /nfs/dbraw/zinc/89/06/38/1123890638.db2.gz VADHFNMNJBOEHR-OAHLLOKOSA-N 2 1 292.426 3.941 20 0 CHADMP c1cc2[nH+]ccc(NCCC[NH+]3CCCCC3)c2s1 ZINC000301367916 1123894986 /nfs/dbraw/zinc/89/49/86/1123894986.db2.gz RCLAOKSSHRERKX-UHFFFAOYSA-N 2 1 275.421 3.584 20 0 CHADMP C[N@H+]1CCC[C@@H](CNc2ccccn2)[C@H]1c1cccs1 ZINC000301426029 1123899657 /nfs/dbraw/zinc/89/96/57/1123899657.db2.gz PBCMOUPRCOLIFB-BBRMVZONSA-N 2 1 287.432 3.638 20 0 CHADMP CC(C)[NH+]1CCC(N(C)c2cc[nH+]c3ccsc32)CC1 ZINC000301501211 1123906718 /nfs/dbraw/zinc/90/67/18/1123906718.db2.gz DWOXEZNQUUYHGK-UHFFFAOYSA-N 2 1 289.448 3.605 20 0 CHADMP C[NH+](C)[C@@H]1CCC[C@@H](Nc2cc[nH+]c3ccsc32)C1 ZINC000301596493 1123916480 /nfs/dbraw/zinc/91/64/80/1123916480.db2.gz SIKFLYIXJQLWLH-VXGBXAGGSA-N 2 1 275.421 3.581 20 0 CHADMP C[N@@H+]1CC[C@@H](Nc2cc[nH+]cc2Cl)[C@H]1c1ccccc1 ZINC000302834240 1123985640 /nfs/dbraw/zinc/98/56/40/1123985640.db2.gz SXTDCHVUZIYNEG-HZPDHXFCSA-N 2 1 287.794 3.592 20 0 CHADMP C[N@H+]1CC[C@@H](Nc2cc[nH+]cc2Cl)[C@H]1c1ccccc1 ZINC000302834240 1123985643 /nfs/dbraw/zinc/98/56/43/1123985643.db2.gz SXTDCHVUZIYNEG-HZPDHXFCSA-N 2 1 287.794 3.592 20 0 CHADMP CCC(C)(C)[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000444609798 1124045060 /nfs/dbraw/zinc/04/50/60/1124045060.db2.gz OLCZBSFJSDEQBB-INIZCTEOSA-N 2 1 266.473 3.763 20 0 CHADMP CCc1ccccc1CC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000444600794 1124046695 /nfs/dbraw/zinc/04/66/95/1124046695.db2.gz CTYCLQDNOXHBBS-UHFFFAOYSA-N 2 1 288.479 3.596 20 0 CHADMP CCCc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)s1 ZINC000621333970 1129163896 /nfs/dbraw/zinc/16/38/96/1129163896.db2.gz ZKNVDTWWSZQMMK-ZDUSSCGKSA-N 2 1 291.464 3.631 20 0 CHADMP CCCc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)s1 ZINC000621333969 1129164354 /nfs/dbraw/zinc/16/43/54/1129164354.db2.gz ZKNVDTWWSZQMMK-CYBMUJFWSA-N 2 1 291.464 3.631 20 0 CHADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000866702950 1124094522 /nfs/dbraw/zinc/09/45/22/1124094522.db2.gz FGMHPYLRNMSOTM-CQSZACIVSA-N 2 1 286.872 3.598 20 0 CHADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000866702950 1124094525 /nfs/dbraw/zinc/09/45/25/1124094525.db2.gz FGMHPYLRNMSOTM-CQSZACIVSA-N 2 1 286.872 3.598 20 0 CHADMP CCc1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000445812975 1124102065 /nfs/dbraw/zinc/10/20/65/1124102065.db2.gz AXXJDPBYBFBOBQ-KRWDZBQOSA-N 2 1 286.463 3.557 20 0 CHADMP CCCc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)s1 ZINC000621350542 1129166924 /nfs/dbraw/zinc/16/69/24/1129166924.db2.gz LUNANFOWMPHOAQ-UHFFFAOYSA-N 2 1 292.492 3.807 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C)C2(CCCCC2)C1 ZINC000360596889 1124131707 /nfs/dbraw/zinc/13/17/07/1124131707.db2.gz NVYGAHGTLWCJTL-INIZCTEOSA-N 2 1 289.467 3.874 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C)C2(CCCCC2)C1 ZINC000360596889 1124131710 /nfs/dbraw/zinc/13/17/10/1124131710.db2.gz NVYGAHGTLWCJTL-INIZCTEOSA-N 2 1 289.467 3.874 20 0 CHADMP CC1CC(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000621384324 1129170340 /nfs/dbraw/zinc/17/03/40/1129170340.db2.gz BUYQRWOCKUMYEX-KXWSQRDISA-N 2 1 286.463 3.675 20 0 CHADMP CC1CC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000621384324 1129170343 /nfs/dbraw/zinc/17/03/43/1129170343.db2.gz BUYQRWOCKUMYEX-KXWSQRDISA-N 2 1 286.463 3.675 20 0 CHADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc21 ZINC000447542241 1124486242 /nfs/dbraw/zinc/48/62/42/1124486242.db2.gz INWLQYCGDSGEMI-LNMJFAINSA-N 2 1 286.463 3.943 20 0 CHADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc21 ZINC000447542241 1124486247 /nfs/dbraw/zinc/48/62/47/1124486247.db2.gz INWLQYCGDSGEMI-LNMJFAINSA-N 2 1 286.463 3.943 20 0 CHADMP CC1(C)C[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447580038 1124498010 /nfs/dbraw/zinc/49/80/10/1124498010.db2.gz MWBWTDDHNXAAKP-MKXGPGLRSA-N 2 1 298.474 3.818 20 0 CHADMP CC(C)CCC[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000526119069 1124511578 /nfs/dbraw/zinc/51/15/78/1124511578.db2.gz WBLXAKKKZPBVBG-MRXNPFEDSA-N 2 1 294.508 3.986 20 0 CHADMP CC(C)CCC[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000526119069 1124511590 /nfs/dbraw/zinc/51/15/90/1124511590.db2.gz WBLXAKKKZPBVBG-MRXNPFEDSA-N 2 1 294.508 3.986 20 0 CHADMP CC(C)CCC[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000526119068 1124512037 /nfs/dbraw/zinc/51/20/37/1124512037.db2.gz WBLXAKKKZPBVBG-INIZCTEOSA-N 2 1 294.508 3.986 20 0 CHADMP CC(C)CCC[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000526119068 1124512043 /nfs/dbraw/zinc/51/20/43/1124512043.db2.gz WBLXAKKKZPBVBG-INIZCTEOSA-N 2 1 294.508 3.986 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(Cl)c2)C[C@H]1C ZINC000447723893 1124518197 /nfs/dbraw/zinc/51/81/97/1124518197.db2.gz RWYAITBWYFWNPN-ZBFHGGJFSA-N 2 1 294.870 3.953 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(Cl)c2)C[C@H]1C ZINC000447723893 1124518206 /nfs/dbraw/zinc/51/82/06/1124518206.db2.gz RWYAITBWYFWNPN-ZBFHGGJFSA-N 2 1 294.870 3.953 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)c(Cl)c2)C[C@H]1C ZINC000447723893 1124518213 /nfs/dbraw/zinc/51/82/13/1124518213.db2.gz RWYAITBWYFWNPN-ZBFHGGJFSA-N 2 1 294.870 3.953 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)c(Cl)c2)C[C@H]1C ZINC000447723893 1124518221 /nfs/dbraw/zinc/51/82/21/1124518221.db2.gz RWYAITBWYFWNPN-ZBFHGGJFSA-N 2 1 294.870 3.953 20 0 CHADMP C[C@@H](C[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000447813454 1124532311 /nfs/dbraw/zinc/53/23/11/1124532311.db2.gz RZAUGNDPYLXLRS-IKGGRYGDSA-N 2 1 274.452 3.500 20 0 CHADMP C[C@@H](C[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000447813454 1124532316 /nfs/dbraw/zinc/53/23/16/1124532316.db2.gz RZAUGNDPYLXLRS-IKGGRYGDSA-N 2 1 274.452 3.500 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000449081693 1124646428 /nfs/dbraw/zinc/64/64/28/1124646428.db2.gz HGQVVWSEOSQBSM-IAGOWNOFSA-N 2 1 278.484 3.811 20 0 CHADMP CC[C@H](CCC(F)(F)F)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000872032497 1124661001 /nfs/dbraw/zinc/66/10/01/1124661001.db2.gz VEZDGJWLVJUSAG-DGCLKSJQSA-N 2 1 291.361 3.538 20 0 CHADMP CC[C@@H](CCC(F)(F)F)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000872032496 1124661366 /nfs/dbraw/zinc/66/13/66/1124661366.db2.gz VEZDGJWLVJUSAG-AAEUAGOBSA-N 2 1 291.361 3.538 20 0 CHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccs1 ZINC000019913056 1124666083 /nfs/dbraw/zinc/66/60/83/1124666083.db2.gz WLHANWMXSINUEL-KBPBESRZSA-N 2 1 266.454 3.663 20 0 CHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cccc4ccoc43)C2)CC1 ZINC000449325588 1124689873 /nfs/dbraw/zinc/68/98/73/1124689873.db2.gz NVWWXCBYVBETMA-QGZVFWFLSA-N 2 1 298.430 3.597 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccc(C)cc1)C(C)(C)C ZINC000528595556 1124712631 /nfs/dbraw/zinc/71/26/31/1124712631.db2.gz VZFJAQOSHNDYFN-UHFFFAOYSA-N 2 1 285.435 3.801 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccc(C)cc1)C(C)(C)C ZINC000528595556 1124712637 /nfs/dbraw/zinc/71/26/37/1124712637.db2.gz VZFJAQOSHNDYFN-UHFFFAOYSA-N 2 1 285.435 3.801 20 0 CHADMP C[N@@H+](CCCCCC[NH3+])Cc1cc2cc(F)ccc2o1 ZINC000873231777 1124753041 /nfs/dbraw/zinc/75/30/41/1124753041.db2.gz VGARFFDJIKVTLV-UHFFFAOYSA-N 2 1 278.371 3.523 20 0 CHADMP C[C@H]([NH2+]Cc1ccc(C(C)(C)C)s1)c1c[nH+]ccc1N ZINC000873280414 1124760608 /nfs/dbraw/zinc/76/06/08/1124760608.db2.gz ANFRSLTXHZARJZ-NSHDSACASA-N 2 1 289.448 3.704 20 0 CHADMP CC(C)C[C@@H](C)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561053 1124803892 /nfs/dbraw/zinc/80/38/92/1124803892.db2.gz RSIZCMVTOYCAKK-DQIHPLBOSA-N 2 1 266.473 3.662 20 0 CHADMP C(=C\c1ccccc1)\CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000450429942 1125022808 /nfs/dbraw/zinc/02/28/08/1125022808.db2.gz OGFXQAUBXCEISO-CUPZGDSWSA-N 2 1 284.447 3.508 20 0 CHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC000450456561 1125033531 /nfs/dbraw/zinc/03/35/31/1125033531.db2.gz UBOXKGJVKGDOME-SFHVURJKSA-N 2 1 276.468 3.541 20 0 CHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC000450456561 1125033540 /nfs/dbraw/zinc/03/35/40/1125033540.db2.gz UBOXKGJVKGDOME-SFHVURJKSA-N 2 1 276.468 3.541 20 0 CHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC000450456561 1125033546 /nfs/dbraw/zinc/03/35/46/1125033546.db2.gz UBOXKGJVKGDOME-SFHVURJKSA-N 2 1 276.468 3.541 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H]2CCCC2(F)F)C[C@H]1C ZINC000878163830 1125125492 /nfs/dbraw/zinc/12/54/92/1125125492.db2.gz XGQCWYHQJOWJCC-ILXRZTDVSA-N 2 1 288.426 3.617 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H]2CCCC2(F)F)C[C@H]1C ZINC000878163830 1125125494 /nfs/dbraw/zinc/12/54/94/1125125494.db2.gz XGQCWYHQJOWJCC-ILXRZTDVSA-N 2 1 288.426 3.617 20 0 CHADMP CCCc1ccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000392242758 1125141097 /nfs/dbraw/zinc/14/10/97/1125141097.db2.gz MEFFZAMUNYTWHM-HNNXBMFYSA-N 2 1 272.436 3.552 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C[C@@H](c2ccccc2)C1 ZINC000392240381 1125141899 /nfs/dbraw/zinc/14/18/99/1125141899.db2.gz JTAOYIHGDJWOST-FFZOFVMBSA-N 2 1 298.474 3.810 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCC[C@H]2C2CCCCC2)CC1 ZINC000392232356 1125142545 /nfs/dbraw/zinc/14/25/45/1125142545.db2.gz SMNKLKLADPSHLR-OALUTQOASA-N 2 1 290.495 3.977 20 0 CHADMP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392242982 1125142828 /nfs/dbraw/zinc/14/28/28/1125142828.db2.gz MQRDQYVATWEBPC-CQSZACIVSA-N 2 1 298.430 3.908 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)cccc2C)C[C@H]1C ZINC000530663048 1125170321 /nfs/dbraw/zinc/17/03/21/1125170321.db2.gz CLUQXIPNNIGNLN-IAGOWNOFSA-N 2 1 274.452 3.608 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)cccc2C)C[C@H]1C ZINC000530663048 1125170325 /nfs/dbraw/zinc/17/03/25/1125170325.db2.gz CLUQXIPNNIGNLN-IAGOWNOFSA-N 2 1 274.452 3.608 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)cccc2C)C[C@H]1C ZINC000530663048 1125170330 /nfs/dbraw/zinc/17/03/30/1125170330.db2.gz CLUQXIPNNIGNLN-IAGOWNOFSA-N 2 1 274.452 3.608 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCSc2ccccc2)C[C@H]1C ZINC000531140089 1125197278 /nfs/dbraw/zinc/19/72/78/1125197278.db2.gz LABFIWVCSVDDGO-CVEARBPZSA-N 2 1 292.492 3.583 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCSc2ccccc2)C[C@H]1C ZINC000531140089 1125197281 /nfs/dbraw/zinc/19/72/81/1125197281.db2.gz LABFIWVCSVDDGO-CVEARBPZSA-N 2 1 292.492 3.583 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCSc2ccccc2)C[C@H]1C ZINC000531140089 1125197284 /nfs/dbraw/zinc/19/72/84/1125197284.db2.gz LABFIWVCSVDDGO-CVEARBPZSA-N 2 1 292.492 3.583 20 0 CHADMP CC[N@@H+]1CC[C@@H](C[NH2+]C(c2ccccc2)c2ccccc2)C1 ZINC000193494278 1125198446 /nfs/dbraw/zinc/19/84/46/1125198446.db2.gz WBVHWFMKYVNIOZ-KRWDZBQOSA-N 2 1 294.442 3.707 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+]C(c2ccccc2)c2ccccc2)C1 ZINC000193494278 1125198447 /nfs/dbraw/zinc/19/84/47/1125198447.db2.gz WBVHWFMKYVNIOZ-KRWDZBQOSA-N 2 1 294.442 3.707 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)ccc2C)C[C@@H]1C ZINC000531378969 1125213811 /nfs/dbraw/zinc/21/38/11/1125213811.db2.gz CROAVKRRINJCPM-FUHWJXTLSA-N 2 1 274.452 3.608 20 0 CHADMP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccco1 ZINC000123059668 1125222734 /nfs/dbraw/zinc/22/27/34/1125222734.db2.gz YKRMZVHGNZTJJS-HNNXBMFYSA-N 2 1 284.403 3.726 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@]1(C)c1ccccc1 ZINC000880371306 1125268627 /nfs/dbraw/zinc/26/86/27/1125268627.db2.gz FHHFEKYMGQNMTC-SFHVURJKSA-N 2 1 283.419 3.593 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@]1(C)c1ccccc1 ZINC000880371306 1125268631 /nfs/dbraw/zinc/26/86/31/1125268631.db2.gz FHHFEKYMGQNMTC-SFHVURJKSA-N 2 1 283.419 3.593 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1CCC1 ZINC000178392005 1125282334 /nfs/dbraw/zinc/28/23/34/1125282334.db2.gz KSRWGYBSQPRNKR-HOTGVXAUSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152364449 1125306655 /nfs/dbraw/zinc/30/66/55/1125306655.db2.gz YWIWBGHRGGAXPR-ZIAGYGMSSA-N 2 1 280.843 3.675 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152364449 1125306657 /nfs/dbraw/zinc/30/66/57/1125306657.db2.gz YWIWBGHRGGAXPR-ZIAGYGMSSA-N 2 1 280.843 3.675 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152364449 1125306660 /nfs/dbraw/zinc/30/66/60/1125306660.db2.gz YWIWBGHRGGAXPR-ZIAGYGMSSA-N 2 1 280.843 3.675 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152364449 1125306663 /nfs/dbraw/zinc/30/66/63/1125306663.db2.gz YWIWBGHRGGAXPR-ZIAGYGMSSA-N 2 1 280.843 3.675 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC1CC1 ZINC000398124853 1125335537 /nfs/dbraw/zinc/33/55/37/1125335537.db2.gz HXZMIBSSVMZHFT-VQIMIIECSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC1CC1 ZINC000398124853 1125335538 /nfs/dbraw/zinc/33/55/38/1125335538.db2.gz HXZMIBSSVMZHFT-VQIMIIECSA-N 2 1 286.463 3.677 20 0 CHADMP CC[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398171630 1125336179 /nfs/dbraw/zinc/33/61/79/1125336179.db2.gz IFRUGAZNRJXBNB-LZLYRXPVSA-N 2 1 274.452 3.533 20 0 CHADMP CC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398171630 1125336181 /nfs/dbraw/zinc/33/61/81/1125336181.db2.gz IFRUGAZNRJXBNB-LZLYRXPVSA-N 2 1 274.452 3.533 20 0 CHADMP CC[N@@H+]([C@H](C)Cc1ccc(Cl)cc1)C1CCN(C)CC1 ZINC001168180104 1125345924 /nfs/dbraw/zinc/34/59/24/1125345924.db2.gz PKNBPGBYPOAHLU-CQSZACIVSA-N 2 1 294.870 3.687 20 0 CHADMP CC[C@@H]1C[N@H+]([C@@H](C)c2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000122314908 1125349418 /nfs/dbraw/zinc/34/94/18/1125349418.db2.gz NFNKSGIUELPXRH-KHYOSLBOSA-N 2 1 282.431 3.960 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C(C2CCCC2)C2CCCC2)CC[N@@H+]1C ZINC000129860692 1125352818 /nfs/dbraw/zinc/35/28/18/1125352818.db2.gz RNWVVXOLCZPJAK-WMLDXEAASA-N 2 1 278.484 3.808 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C(C2CCCC2)C2CCCC2)CC[N@H+]1C ZINC000129860692 1125352819 /nfs/dbraw/zinc/35/28/19/1125352819.db2.gz RNWVVXOLCZPJAK-WMLDXEAASA-N 2 1 278.484 3.808 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCCC1 ZINC000250902667 1125361613 /nfs/dbraw/zinc/36/16/13/1125361613.db2.gz OUMMPHCMRKBIQX-UAGQMJEPSA-N 2 1 264.457 3.562 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccccc2OC(C)C)CC1 ZINC000037118797 1125365271 /nfs/dbraw/zinc/36/52/71/1125365271.db2.gz QLMCGKUJPNUUKX-OAHLLOKOSA-N 2 1 290.451 3.609 20 0 CHADMP C1=C[C@@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000883236913 1125382218 /nfs/dbraw/zinc/38/22/18/1125382218.db2.gz MZRQLKCOPFVHCV-MJGOQNOKSA-N 2 1 296.458 3.739 20 0 CHADMP C1=C[C@@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000883236913 1125382219 /nfs/dbraw/zinc/38/22/19/1125382219.db2.gz MZRQLKCOPFVHCV-MJGOQNOKSA-N 2 1 296.458 3.739 20 0 CHADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C(C)C ZINC000532446659 1125388364 /nfs/dbraw/zinc/38/83/64/1125388364.db2.gz GUYQJIQKYUFBHS-HZPDHXFCSA-N 2 1 254.462 3.523 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H](CC(C)C)[NH+](CC)CC)C1CCOCC1 ZINC000532458875 1125391604 /nfs/dbraw/zinc/39/16/04/1125391604.db2.gz UXWJPGQMARTBEF-QZTJIDSGSA-N 2 1 298.515 3.538 20 0 CHADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)c2ccccc21 ZINC000132088805 1125413918 /nfs/dbraw/zinc/41/39/18/1125413918.db2.gz FSDTZGDJJKDXSD-CVEARBPZSA-N 2 1 272.779 3.574 20 0 CHADMP CC1CCC([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC1 ZINC001168217007 1125416825 /nfs/dbraw/zinc/41/68/25/1125416825.db2.gz IBIXMQMBDNVVIE-ADKAHSJRSA-N 2 1 278.484 3.906 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC[C@@H]1CCC[C@@H](C)C1 ZINC000348253936 1125441535 /nfs/dbraw/zinc/44/15/35/1125441535.db2.gz BLIWBWJTIJATNS-WBVHZDCISA-N 2 1 277.456 3.730 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC[C@@H]1CCC[C@@H](C)C1 ZINC000348253936 1125441539 /nfs/dbraw/zinc/44/15/39/1125441539.db2.gz BLIWBWJTIJATNS-WBVHZDCISA-N 2 1 277.456 3.730 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCc2ccccc2CC1 ZINC001202610787 1125443110 /nfs/dbraw/zinc/44/31/10/1125443110.db2.gz CEBUNEOBCWVOCA-MRXNPFEDSA-N 2 1 288.479 3.644 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCc2ccccc2CC1 ZINC001202610787 1125443114 /nfs/dbraw/zinc/44/31/14/1125443114.db2.gz CEBUNEOBCWVOCA-MRXNPFEDSA-N 2 1 288.479 3.644 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000125158554 1125445308 /nfs/dbraw/zinc/44/53/08/1125445308.db2.gz TUPMQOUHOHHIEG-LPHOPBHVSA-N 2 1 297.446 3.850 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000125158554 1125445311 /nfs/dbraw/zinc/44/53/11/1125445311.db2.gz TUPMQOUHOHHIEG-LPHOPBHVSA-N 2 1 297.446 3.850 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000125418201 1125448487 /nfs/dbraw/zinc/44/84/87/1125448487.db2.gz QEKFBQAKYYFSGI-CQSZACIVSA-N 2 1 289.398 3.804 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000125418201 1125448490 /nfs/dbraw/zinc/44/84/90/1125448490.db2.gz QEKFBQAKYYFSGI-CQSZACIVSA-N 2 1 289.398 3.804 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1CCC(C)C ZINC000125598823 1125450247 /nfs/dbraw/zinc/45/02/47/1125450247.db2.gz GMJJSRYOKDFGQR-KRWDZBQOSA-N 2 1 277.456 3.872 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1CCC(C)C ZINC000125598823 1125450250 /nfs/dbraw/zinc/45/02/50/1125450250.db2.gz GMJJSRYOKDFGQR-KRWDZBQOSA-N 2 1 277.456 3.872 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000348267283 1125453134 /nfs/dbraw/zinc/45/31/34/1125453134.db2.gz PUGGNPFLRWNURP-ZWKOTPCHSA-N 2 1 272.436 3.602 20 0 CHADMP CC1CC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000621772115 1129194129 /nfs/dbraw/zinc/19/41/29/1129194129.db2.gz YSFAXZWNHXVZPW-DHRZBBNESA-N 2 1 286.463 3.533 20 0 CHADMP CC1CC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000621772115 1129194131 /nfs/dbraw/zinc/19/41/31/1129194131.db2.gz YSFAXZWNHXVZPW-DHRZBBNESA-N 2 1 286.463 3.533 20 0 CHADMP Cc1ccc(C(C)(C)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000164848893 1129210971 /nfs/dbraw/zinc/21/09/71/1129210971.db2.gz WKVOHVIFYUQUMF-LZLYRXPVSA-N 2 1 288.479 3.591 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CS[C@H](C)C1 ZINC000638853796 1129272669 /nfs/dbraw/zinc/27/26/69/1129272669.db2.gz KBCYHWBOHZJLPI-PBHICJAKSA-N 2 1 292.492 3.510 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCC12CCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000282661171 1129275771 /nfs/dbraw/zinc/27/57/71/1129275771.db2.gz INTRYAKMSQNAOE-YTQUADARSA-N 2 1 298.474 3.819 20 0 CHADMP CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000348084797 1129279968 /nfs/dbraw/zinc/27/99/68/1129279968.db2.gz LZUOOJWIXHJZJG-GOEBONIOSA-N 2 1 287.382 3.598 20 0 CHADMP CC(C)[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1cccc(F)c1 ZINC000348084237 1129280030 /nfs/dbraw/zinc/28/00/30/1129280030.db2.gz WACWSMODLXLFLV-KRWDZBQOSA-N 2 1 278.415 3.520 20 0 CHADMP C/C=C/C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639353624 1129305238 /nfs/dbraw/zinc/30/52/38/1129305238.db2.gz VNCJJDTZPABANW-OTUKTJHOSA-N 2 1 270.420 3.520 20 0 CHADMP C/C=C/C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639353624 1129305243 /nfs/dbraw/zinc/30/52/43/1129305243.db2.gz VNCJJDTZPABANW-OTUKTJHOSA-N 2 1 270.420 3.520 20 0 CHADMP CCCCC(CCCC)N1CCn2c(cnc2C)C1 ZINC001258385607 1129317245 /nfs/dbraw/zinc/31/72/45/1129317245.db2.gz ZXWKNLFIBITWBL-UHFFFAOYSA-N 2 1 263.429 3.756 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756238 1129331685 /nfs/dbraw/zinc/33/16/85/1129331685.db2.gz SIEZDGZVRYTDGO-AWEZNQCLSA-N 2 1 292.854 3.819 20 0 CHADMP C[NH+]1CCC2(CC[N@@H+](CC/C=C/c3ccccc3)C2)CC1 ZINC000639755391 1129332004 /nfs/dbraw/zinc/33/20/04/1129332004.db2.gz JKVDNSDJVLJBES-WEVVVXLNSA-N 2 1 284.447 3.508 20 0 CHADMP CCCCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246836587 1129336380 /nfs/dbraw/zinc/33/63/80/1129336380.db2.gz OKYYRLXRPXQXIA-DOTOQJQBSA-N 2 1 264.457 3.515 20 0 CHADMP CCCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246836587 1129336384 /nfs/dbraw/zinc/33/63/84/1129336384.db2.gz OKYYRLXRPXQXIA-DOTOQJQBSA-N 2 1 264.457 3.515 20 0 CHADMP CCCCCC1CCC([NH2+]C[C@@]2(F)CCC[NH2+]C2)CC1 ZINC001246174363 1131374920 /nfs/dbraw/zinc/37/49/20/1131374920.db2.gz KGCLAVPCVKGMMD-OFLPRAFFSA-N 2 1 284.463 3.807 20 0 CHADMP CCCCCC1CCC([NH2+]C[C@]2(F)CCC[NH2+]C2)CC1 ZINC001246174362 1131374979 /nfs/dbraw/zinc/37/49/79/1131374979.db2.gz KGCLAVPCVKGMMD-JCYILVPMSA-N 2 1 284.463 3.807 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643066101 1129427935 /nfs/dbraw/zinc/42/79/35/1129427935.db2.gz KFNCDKNYBDIHIC-ALKREAHSSA-N 2 1 280.415 3.585 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643066101 1129427936 /nfs/dbraw/zinc/42/79/36/1129427936.db2.gz KFNCDKNYBDIHIC-ALKREAHSSA-N 2 1 280.415 3.585 20 0 CHADMP CC[C@H]1CC([NH2+]Cc2ccc(Cl)s2)C[C@H](CC)[NH2+]1 ZINC001246178582 1131377410 /nfs/dbraw/zinc/37/74/10/1131377410.db2.gz YXDYHHMFEFULOE-QWRGUYRKSA-N 2 1 286.872 3.800 20 0 CHADMP C[C@H]1C[C@@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)CC(C)(C)C1 ZINC001258702494 1129527779 /nfs/dbraw/zinc/52/77/79/1129527779.db2.gz YHGNLRAFISAIFR-JKSUJKDBSA-N 2 1 278.484 3.619 20 0 CHADMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647180533 1129555165 /nfs/dbraw/zinc/55/51/65/1129555165.db2.gz GBOXCZZWKDNIJO-QRQLOZEOSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647180533 1129555166 /nfs/dbraw/zinc/55/51/66/1129555166.db2.gz GBOXCZZWKDNIJO-QRQLOZEOSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]C1CCC(F)(F)CC1 ZINC000647284441 1129563996 /nfs/dbraw/zinc/56/39/96/1129563996.db2.gz QNGYCNXERDEKRV-MCIONIFRSA-N 2 1 288.426 3.520 20 0 CHADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344163 1129571617 /nfs/dbraw/zinc/57/16/17/1129571617.db2.gz KQPICJIEHNJIBG-YSHGAJCASA-N 2 1 286.463 3.500 20 0 CHADMP c1ccc2c(c1)cccc2C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814484 1129585217 /nfs/dbraw/zinc/58/52/17/1129585217.db2.gz PZSCKBDSWGXPBW-UHFFFAOYSA-N 2 1 280.415 3.556 20 0 CHADMP Fc1ccccc1C[N@@H+](CCCC1CC[NH2+]CC1)C1CC1 ZINC000647873444 1129586269 /nfs/dbraw/zinc/58/62/69/1129586269.db2.gz KFJNTNKZORBNSJ-UHFFFAOYSA-N 2 1 290.426 3.570 20 0 CHADMP c1ccc2c(c1)cccc2[C@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647882016 1129587163 /nfs/dbraw/zinc/58/71/63/1129587163.db2.gz BKCGBZDCXAPNCL-DNVCBOLYSA-N 2 1 280.415 3.586 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[N@@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000647882035 1129587255 /nfs/dbraw/zinc/58/72/55/1129587255.db2.gz DIKQETHSEWEPJB-CVEARBPZSA-N 2 1 294.442 3.975 20 0 CHADMP C[C@H]1c2c(F)cccc2CC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647885766 1129587392 /nfs/dbraw/zinc/58/73/92/1129587392.db2.gz OERICQDAVVGTFX-AWEZNQCLSA-N 2 1 290.426 3.525 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000379639915 1129592781 /nfs/dbraw/zinc/59/27/81/1129592781.db2.gz WHVDVCULAZOBRU-NEPXVJNWSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000379639915 1129592785 /nfs/dbraw/zinc/59/27/85/1129592785.db2.gz WHVDVCULAZOBRU-NEPXVJNWSA-N 2 1 286.463 3.818 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(C)(C)C ZINC000191473292 1129641729 /nfs/dbraw/zinc/64/17/29/1129641729.db2.gz YUPNRZMTBDYHBW-UHFFFAOYSA-N 2 1 265.445 3.594 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(C)(C)C ZINC000191473292 1129641732 /nfs/dbraw/zinc/64/17/32/1129641732.db2.gz YUPNRZMTBDYHBW-UHFFFAOYSA-N 2 1 265.445 3.594 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000649836068 1129681594 /nfs/dbraw/zinc/68/15/94/1129681594.db2.gz ZFYAGKZJFVQLTG-INIZCTEOSA-N 2 1 297.446 3.634 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000649836068 1129681596 /nfs/dbraw/zinc/68/15/96/1129681596.db2.gz ZFYAGKZJFVQLTG-INIZCTEOSA-N 2 1 297.446 3.634 20 0 CHADMP CCc1nccc(C)c1Nc1ccc2[nH]c(C)nc2c1 ZINC001213073348 1129693292 /nfs/dbraw/zinc/69/32/92/1129693292.db2.gz NQVWYBLPNGIWFL-UHFFFAOYSA-N 2 1 266.348 3.881 20 0 CHADMP CC(C)C[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001169058170 1129693693 /nfs/dbraw/zinc/69/36/93/1129693693.db2.gz DIIPOHIJPVOJEQ-MOPGFXCFSA-N 2 1 288.479 3.718 20 0 CHADMP c1ccc2c(c1)cccc2CCC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420409829 1129695182 /nfs/dbraw/zinc/69/51/82/1129695182.db2.gz WEOBXHHJNWGKNM-FQEVSTJZSA-N 2 1 294.442 3.600 20 0 CHADMP c1ccc2c(c1)cccc2CCC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420409829 1129695184 /nfs/dbraw/zinc/69/51/84/1129695184.db2.gz WEOBXHHJNWGKNM-FQEVSTJZSA-N 2 1 294.442 3.600 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1ccccc1)C1CCC1)C2 ZINC001169100699 1129697444 /nfs/dbraw/zinc/69/74/44/1129697444.db2.gz LJOSMLHTMXMSHG-OKYOBFRVSA-N 2 1 284.447 3.743 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCc3cc(Cl)ccc31)C2 ZINC001169099778 1129697535 /nfs/dbraw/zinc/69/75/35/1129697535.db2.gz VNPROTZOIJTOHE-IVSAIRAKSA-N 2 1 290.838 3.542 20 0 CHADMP CC(C)c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169092253 1129699910 /nfs/dbraw/zinc/69/99/10/1129699910.db2.gz AUFLQUJGVKIOKG-NNZMDNLPSA-N 2 1 272.436 3.525 20 0 CHADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)c(C)c1 ZINC001169119579 1129700682 /nfs/dbraw/zinc/70/06/82/1129700682.db2.gz UYNFAEPLQMHOHK-CUSZFKRNSA-N 2 1 290.426 3.800 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H](Cc3ccccc3)C1)C2 ZINC001169139263 1129702493 /nfs/dbraw/zinc/70/24/93/1129702493.db2.gz AFNLRYQXRGNTRM-HAGHYFMRSA-N 2 1 298.474 3.566 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](Cc3ccccc3)C1)C2 ZINC001169139263 1129702494 /nfs/dbraw/zinc/70/24/94/1129702494.db2.gz AFNLRYQXRGNTRM-HAGHYFMRSA-N 2 1 298.474 3.566 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H](Cc3ccccc3)C1)C2 ZINC001169139263 1129702497 /nfs/dbraw/zinc/70/24/97/1129702497.db2.gz AFNLRYQXRGNTRM-HAGHYFMRSA-N 2 1 298.474 3.566 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC001169108606 1129703652 /nfs/dbraw/zinc/70/36/52/1129703652.db2.gz TUZDKYQBBYEBKW-NXOAAHMSSA-N 2 1 272.436 3.579 20 0 CHADMP Cc1cccc(C[NH+](C2CC2)[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C ZINC001169153428 1129705556 /nfs/dbraw/zinc/70/55/56/1129705556.db2.gz ISZYNTKGJDHXCV-PMOLBWCYSA-N 2 1 298.474 3.893 20 0 CHADMP Cc1cccc(C[NH+](C2CC2)[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC001169153428 1129705559 /nfs/dbraw/zinc/70/55/59/1129705559.db2.gz ISZYNTKGJDHXCV-PMOLBWCYSA-N 2 1 298.474 3.893 20 0 CHADMP Cc1cccc(C[N@H+](C2CC2)[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1C ZINC001169153428 1129705561 /nfs/dbraw/zinc/70/55/61/1129705561.db2.gz ISZYNTKGJDHXCV-PMOLBWCYSA-N 2 1 298.474 3.893 20 0 CHADMP Cc1cccc(C[N@@H+](C2CC2)[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1C ZINC001169153428 1129705563 /nfs/dbraw/zinc/70/55/63/1129705563.db2.gz ISZYNTKGJDHXCV-PMOLBWCYSA-N 2 1 298.474 3.893 20 0 CHADMP CC[C@@H]1c2ccccc2CC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153057 1129705669 /nfs/dbraw/zinc/70/56/69/1129705669.db2.gz HHLYFQCMHBCFHU-SFNKJDCFSA-N 2 1 284.447 3.621 20 0 CHADMP CC[C@@H]1c2ccccc2CC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169153057 1129705671 /nfs/dbraw/zinc/70/56/71/1129705671.db2.gz HHLYFQCMHBCFHU-SFNKJDCFSA-N 2 1 284.447 3.621 20 0 CHADMP CC[C@@H]1c2ccccc2CC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169153057 1129705673 /nfs/dbraw/zinc/70/56/73/1129705673.db2.gz HHLYFQCMHBCFHU-SFNKJDCFSA-N 2 1 284.447 3.621 20 0 CHADMP CC[NH+]1CCC([NH2+]C2(c3ccccc3)CCCC2)CC1 ZINC001169221390 1129709845 /nfs/dbraw/zinc/70/98/45/1129709845.db2.gz BARPABZDGHNYSC-UHFFFAOYSA-N 2 1 272.436 3.530 20 0 CHADMP CCN1CCC([NH+]2CCC3(CCCCC3)CC2)CC1 ZINC001169245197 1129712091 /nfs/dbraw/zinc/71/20/91/1129712091.db2.gz BPYMBSKSQGMMCG-UHFFFAOYSA-N 2 1 264.457 3.517 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1c(C)cc[nH+]c1C ZINC001169690346 1129746284 /nfs/dbraw/zinc/74/62/84/1129746284.db2.gz KUEBGTDSQKMAKQ-INIZCTEOSA-N 2 1 281.403 3.939 20 0 CHADMP Cc1ccccc1C1([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000651975091 1129754801 /nfs/dbraw/zinc/75/48/01/1129754801.db2.gz ZIWAYNZHOYFWTE-IRXDYDNUSA-N 2 1 284.447 3.591 20 0 CHADMP CCC[C@@H](C)CCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC001169762087 1129755172 /nfs/dbraw/zinc/75/51/72/1129755172.db2.gz SCINJORTIAOGMO-MRXNPFEDSA-N 2 1 254.462 3.621 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)C1CCC(F)(F)CC1 ZINC000653868855 1129798780 /nfs/dbraw/zinc/79/87/80/1129798780.db2.gz KZOILJZDGZWCRT-UKRRQHHQSA-N 2 1 288.426 3.664 20 0 CHADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCCCC1 ZINC000381644180 1129843139 /nfs/dbraw/zinc/84/31/39/1129843139.db2.gz ZRPFPESOHRGIEP-IAGOWNOFSA-N 2 1 264.457 3.563 20 0 CHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CC4CCC4)CC[C@H]3C2)cc1 ZINC001202792031 1129844787 /nfs/dbraw/zinc/84/47/87/1129844787.db2.gz HWZAWQBTTKKUPO-VQTJNVASSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CC4CCC4)CC[C@H]3C2)cc1 ZINC001202792031 1129844789 /nfs/dbraw/zinc/84/47/89/1129844789.db2.gz HWZAWQBTTKKUPO-VQTJNVASSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CC4CCC4)CC[C@H]3C2)cc1 ZINC001202792031 1129844792 /nfs/dbraw/zinc/84/47/92/1129844792.db2.gz HWZAWQBTTKKUPO-VQTJNVASSA-N 2 1 298.474 3.631 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC(F)(F)[C@H](F)C1 ZINC001258908251 1129845239 /nfs/dbraw/zinc/84/52/39/1129845239.db2.gz UANVWSBSUSGFOG-UONOGXRCSA-N 2 1 294.405 3.566 20 0 CHADMP CC[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001461046511 1129902655 /nfs/dbraw/zinc/90/26/55/1129902655.db2.gz AXKZQCYGZZNGRY-XMTFNYHQSA-N 2 1 280.500 3.913 20 0 CHADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC000769404593 1129906557 /nfs/dbraw/zinc/90/65/57/1129906557.db2.gz OYRIODIUSRWIDO-KRWDZBQOSA-N 2 1 294.442 3.737 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+](CCSC(C)(C)C)CC1 ZINC000801917708 1129958060 /nfs/dbraw/zinc/95/80/60/1129958060.db2.gz MQRJJSBCJIQVEQ-UHFFFAOYSA-N 2 1 286.529 3.570 20 0 CHADMP c1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C2CC2)cc1 ZINC000903062453 1130107640 /nfs/dbraw/zinc/10/76/40/1130107640.db2.gz RVMUQNGBTZUXRH-ZNBHLAFESA-N 2 1 296.458 3.885 20 0 CHADMP Cc1ccc([C@@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903098698 1130111046 /nfs/dbraw/zinc/11/10/46/1130111046.db2.gz SLNSGEGFLYOWBQ-SHFXZJCHSA-N 2 1 298.474 3.846 20 0 CHADMP FC1(F)CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903167658 1130123078 /nfs/dbraw/zinc/12/30/78/1130123078.db2.gz NNVUSQKWTLCBCV-VHRNVKJDSA-N 2 1 298.421 3.559 20 0 CHADMP c1ccc([C@H]2C[C@@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903192111 1130127265 /nfs/dbraw/zinc/12/72/65/1130127265.db2.gz ITJQMVHNIFWWBP-NSEAXLEKSA-N 2 1 296.458 3.538 20 0 CHADMP Cc1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c(Cl)c1 ZINC001239863440 1130139736 /nfs/dbraw/zinc/13/97/36/1130139736.db2.gz YUQVXKLTGRKDHF-UHFFFAOYSA-N 2 1 297.789 3.650 20 0 CHADMP CCCCC[C@@H](C)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903385225 1130169604 /nfs/dbraw/zinc/16/96/04/1130169604.db2.gz WIGJAGBUEBPSCQ-NVXWUHKLSA-N 2 1 277.456 3.633 20 0 CHADMP CC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H](C)c1cc2ccccc2o1 ZINC000903432605 1130176647 /nfs/dbraw/zinc/17/66/47/1130176647.db2.gz GNFVCDIUPXFRMX-FMKPAKJESA-N 2 1 286.419 3.943 20 0 CHADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2c2ccccc2Cl)CC1 ZINC000788478894 1130188978 /nfs/dbraw/zinc/18/89/78/1130188978.db2.gz KSHRRISQDSNQIT-KRWDZBQOSA-N 2 1 292.854 3.819 20 0 CHADMP C[NH+]1CCC(C[N@@H+](Cc2ccccc2)C(C)(C)C)CC1 ZINC000788487325 1130190459 /nfs/dbraw/zinc/19/04/59/1130190459.db2.gz GBGWLGQOLKYPKK-UHFFFAOYSA-N 2 1 274.452 3.629 20 0 CHADMP [NH3+]CCCCCCC[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000903829206 1130203312 /nfs/dbraw/zinc/20/33/12/1130203312.db2.gz BRIMZNFVJRCMAB-UHFFFAOYSA-N 2 1 266.816 3.565 20 0 CHADMP [NH3+]CCCCCCC[N@H+]1Cc2cccc(Cl)c2C1 ZINC000903829206 1130203319 /nfs/dbraw/zinc/20/33/19/1130203319.db2.gz BRIMZNFVJRCMAB-UHFFFAOYSA-N 2 1 266.816 3.565 20 0 CHADMP CC(C)[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000903872494 1130207741 /nfs/dbraw/zinc/20/77/41/1130207741.db2.gz FUJBVCXPIZHBBD-MQVJKMGUSA-N 2 1 264.457 3.560 20 0 CHADMP CC(C)([NH2+]C[C@@H]([NH3+])CC(F)F)c1ccc2ccccc2c1 ZINC000903935117 1130211576 /nfs/dbraw/zinc/21/15/76/1130211576.db2.gz NKXITJLJYSITOT-HNNXBMFYSA-N 2 1 292.373 3.647 20 0 CHADMP c1ccc([C@H]2C[C@H]([NH2+]C3CCC=CCC3)CC[NH2+]2)cc1 ZINC000903962893 1130212930 /nfs/dbraw/zinc/21/29/30/1130212930.db2.gz LUPIIDFPFKMBDE-QZTJIDSGSA-N 2 1 270.420 3.568 20 0 CHADMP CCCCCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000789357126 1130243830 /nfs/dbraw/zinc/24/38/30/1130243830.db2.gz KGBNHOIKSWDGBU-UHFFFAOYSA-N 2 1 289.467 3.979 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(C)c1Cl ZINC001206036895 1130254939 /nfs/dbraw/zinc/25/49/39/1130254939.db2.gz SGEPROMALVEJND-HIFRSBDPSA-N 2 1 294.870 3.764 20 0 CHADMP Cc1c(F)ccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c1Cl ZINC001206575366 1130265882 /nfs/dbraw/zinc/26/58/82/1130265882.db2.gz WOPOEVUCTKVPLH-MRXNPFEDSA-N 2 1 298.833 3.738 20 0 CHADMP Cc1c(F)ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1Cl ZINC001206575366 1130265887 /nfs/dbraw/zinc/26/58/87/1130265887.db2.gz WOPOEVUCTKVPLH-MRXNPFEDSA-N 2 1 298.833 3.738 20 0 CHADMP C[C@@H]([NH3+])c1ccc(C2=CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001240387489 1130286836 /nfs/dbraw/zinc/28/68/36/1130286836.db2.gz SHHTVEUBNNYHHM-MRXNPFEDSA-N 2 1 292.426 3.996 20 0 CHADMP C[N@@H+]([C@@H]1C=CCCC1)[C@@H]1CCC[NH+]([C@H]2C=CCCC2)CC1 ZINC000677187205 1130295337 /nfs/dbraw/zinc/29/53/37/1130295337.db2.gz YTOMXBOJYORUOO-QRVBRYPASA-N 2 1 288.479 3.990 20 0 CHADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001170138957 1130318023 /nfs/dbraw/zinc/31/80/23/1130318023.db2.gz SBMWIPIMFJFFFE-NVXWUHKLSA-N 2 1 276.468 3.515 20 0 CHADMP C[C@@H]1CC[C@H]([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)C1 ZINC001170145365 1130334796 /nfs/dbraw/zinc/33/47/96/1130334796.db2.gz UKCRUKIVNLHSCN-IKGGRYGDSA-N 2 1 264.457 3.515 20 0 CHADMP CC(C)[C@@H]1c2ccccc2CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000678077925 1130348194 /nfs/dbraw/zinc/34/81/94/1130348194.db2.gz MRSOQIQKVQAFQH-IEBWSBKVSA-N 2 1 286.463 3.726 20 0 CHADMP CC(C)[C@@H]1c2ccccc2CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000678077925 1130348200 /nfs/dbraw/zinc/34/82/00/1130348200.db2.gz MRSOQIQKVQAFQH-IEBWSBKVSA-N 2 1 286.463 3.726 20 0 CHADMP CC(C)[C@@H]1c2ccccc2CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000678077925 1130348206 /nfs/dbraw/zinc/34/82/06/1130348206.db2.gz MRSOQIQKVQAFQH-IEBWSBKVSA-N 2 1 286.463 3.726 20 0 CHADMP CCCC[C@H](CC)CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000678359287 1130408529 /nfs/dbraw/zinc/40/85/29/1130408529.db2.gz CURQFRJTYBVPAA-ULQDDVLXSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000678609518 1130442050 /nfs/dbraw/zinc/44/20/50/1130442050.db2.gz PAZLEKOLQZSPLU-KLICCBINSA-N 2 1 284.447 3.526 20 0 CHADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)o1 ZINC000793206203 1130533676 /nfs/dbraw/zinc/53/36/76/1130533676.db2.gz CNAQDSPHKQXMFS-SFHVURJKSA-N 2 1 298.430 3.508 20 0 CHADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)o1 ZINC000793206203 1130533682 /nfs/dbraw/zinc/53/36/82/1130533682.db2.gz CNAQDSPHKQXMFS-SFHVURJKSA-N 2 1 298.430 3.508 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+]CC(CC)(CC)CC)C1 ZINC000679840841 1130559558 /nfs/dbraw/zinc/55/95/58/1130559558.db2.gz NZQBJLSERRUQFD-HNNXBMFYSA-N 2 1 254.462 3.524 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c2ccccc12 ZINC001234995318 1130700735 /nfs/dbraw/zinc/70/07/35/1130700735.db2.gz ZUAAEFUFGRVDGT-FQEVSTJZSA-N 2 1 294.442 3.724 20 0 CHADMP Cc1c(Cl)ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1C ZINC001234997431 1130701579 /nfs/dbraw/zinc/70/15/79/1130701579.db2.gz COXFYIWJFVZYRV-KRWDZBQOSA-N 2 1 292.854 3.532 20 0 CHADMP Cc1c(Cl)ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1C ZINC001234997431 1130701585 /nfs/dbraw/zinc/70/15/85/1130701585.db2.gz COXFYIWJFVZYRV-KRWDZBQOSA-N 2 1 292.854 3.532 20 0 CHADMP c1cc(C2CCC2)ccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001235002868 1130703114 /nfs/dbraw/zinc/70/31/14/1130703114.db2.gz YERSNNAIFDBHPU-IBGZPJMESA-N 2 1 284.447 3.530 20 0 CHADMP Cc1csc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1Cl ZINC001235042406 1130704530 /nfs/dbraw/zinc/70/45/30/1130704530.db2.gz BPLDFHWMBSIDDX-HNNXBMFYSA-N 2 1 298.883 3.818 20 0 CHADMP Cc1csc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1Cl ZINC001235042406 1130704535 /nfs/dbraw/zinc/70/45/35/1130704535.db2.gz BPLDFHWMBSIDDX-HNNXBMFYSA-N 2 1 298.883 3.818 20 0 CHADMP CCCC[C@H](CC)C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235037165 1130704971 /nfs/dbraw/zinc/70/49/71/1130704971.db2.gz CRFLONOKLKSZBJ-IRXDYDNUSA-N 2 1 266.473 3.811 20 0 CHADMP Cc1cccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1Cl ZINC001235037241 1130705583 /nfs/dbraw/zinc/70/55/83/1130705583.db2.gz FRBVFEFUNSTBAO-KRWDZBQOSA-N 2 1 292.854 3.757 20 0 CHADMP Cc1cccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1Cl ZINC001235037241 1130705589 /nfs/dbraw/zinc/70/55/89/1130705589.db2.gz FRBVFEFUNSTBAO-KRWDZBQOSA-N 2 1 292.854 3.757 20 0 CHADMP c1cc(C2CCC2)ccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235091399 1130710087 /nfs/dbraw/zinc/71/00/87/1130710087.db2.gz AYIKDXWHKUHCLR-UHFFFAOYSA-N 2 1 284.447 3.530 20 0 CHADMP C[C@@H](CC[N@@H+]1CCCC[C@@]12CC[NH2+]C2)CC(C)(C)C ZINC001235126673 1130712693 /nfs/dbraw/zinc/71/26/93/1130712693.db2.gz VZKHVJZLEUFOBS-RDJZCZTQSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@@H](CC[N@H+]1CCCC[C@@]12CC[NH2+]C2)CC(C)(C)C ZINC001235126673 1130712698 /nfs/dbraw/zinc/71/26/98/1130712698.db2.gz VZKHVJZLEUFOBS-RDJZCZTQSA-N 2 1 266.473 3.667 20 0 CHADMP CC/C=C\CCCCC[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235127224 1130713399 /nfs/dbraw/zinc/71/33/99/1130713399.db2.gz YOALSXVJBRHNAI-CWIOURORSA-N 2 1 264.457 3.731 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235127224 1130713403 /nfs/dbraw/zinc/71/34/03/1130713403.db2.gz YOALSXVJBRHNAI-CWIOURORSA-N 2 1 264.457 3.731 20 0 CHADMP c1cc2c(cccc2C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)[nH]1 ZINC001235151814 1130714003 /nfs/dbraw/zinc/71/40/03/1130714003.db2.gz BRISOGKXXWJFLL-IBGZPJMESA-N 2 1 297.446 3.522 20 0 CHADMP c1cc(C2CC2)ccc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235157273 1130715667 /nfs/dbraw/zinc/71/56/67/1130715667.db2.gz IDAMTMHKIKSMAH-FQEVSTJZSA-N 2 1 298.474 3.918 20 0 CHADMP CC/C=C\CCC[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235155999 1130716268 /nfs/dbraw/zinc/71/62/68/1130716268.db2.gz ZGTILDZLVJUAOW-LIMHQNJXSA-N 2 1 264.457 3.587 20 0 CHADMP Cc1ccc([C@H](C)CC[N@@H+]2CCCC[C@]23CCC[NH2+]C3)o1 ZINC001235173038 1130717905 /nfs/dbraw/zinc/71/79/05/1130717905.db2.gz PCUJRNRJQSZYFO-CRAIPNDOSA-N 2 1 290.451 3.690 20 0 CHADMP Cc1ccc([C@H](C)CC[N@H+]2CCCC[C@]23CCC[NH2+]C3)o1 ZINC001235173038 1130717910 /nfs/dbraw/zinc/71/79/10/1130717910.db2.gz PCUJRNRJQSZYFO-CRAIPNDOSA-N 2 1 290.451 3.690 20 0 CHADMP Cc1cccc2c(C[N@@H+]3CCCC[C@]34CCC[NH2+]C4)c[nH]c21 ZINC001235172126 1130717978 /nfs/dbraw/zinc/71/79/78/1130717978.db2.gz KMGXVHYVSYVGOB-LJQANCHMSA-N 2 1 297.446 3.584 20 0 CHADMP Cc1cccc2c(C[N@H+]3CCCC[C@]34CCC[NH2+]C4)c[nH]c21 ZINC001235172126 1130717981 /nfs/dbraw/zinc/71/79/81/1130717981.db2.gz KMGXVHYVSYVGOB-LJQANCHMSA-N 2 1 297.446 3.584 20 0 CHADMP CC(C)=CCCC1=CC[C@@H](C[N@@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC001235188613 1130721301 /nfs/dbraw/zinc/72/13/01/1130721301.db2.gz UIILNZSHJRFLLA-CEXWTWQISA-N 2 1 288.479 3.753 20 0 CHADMP CC(C)=CCCC1=CC[C@@H](C[N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC001235188613 1130721305 /nfs/dbraw/zinc/72/13/05/1130721305.db2.gz UIILNZSHJRFLLA-CEXWTWQISA-N 2 1 288.479 3.753 20 0 CHADMP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc2oc3ccccc3c2c1 ZINC001235256278 1130730057 /nfs/dbraw/zinc/73/00/57/1130730057.db2.gz RGVHVNAFHWIWEN-ZQIUZPCESA-N 2 1 292.382 3.508 20 0 CHADMP c1ccc(-c2ccccc2C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC001235273400 1130731316 /nfs/dbraw/zinc/73/13/16/1130731316.db2.gz SEMFHSQQSLAURT-QUCCMNQESA-N 2 1 292.426 3.537 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235403555 1130738196 /nfs/dbraw/zinc/73/81/96/1130738196.db2.gz LALPFNBYJQMTAC-GRFNRIFCSA-N 2 1 296.474 3.927 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235403558 1130739485 /nfs/dbraw/zinc/73/94/85/1130739485.db2.gz LALPFNBYJQMTAC-JWRSSPFQSA-N 2 1 296.474 3.927 20 0 CHADMP c1cc2cc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)ccc2o1 ZINC001235422792 1130742529 /nfs/dbraw/zinc/74/25/29/1130742529.db2.gz FMFCSNWZVVIWCJ-ROUUACIJSA-N 2 1 298.430 3.644 20 0 CHADMP CCC(C)(C)c1ccc(C[N@@H+](C)CC2CC[NH2+]CC2)cc1 ZINC001235433459 1130744057 /nfs/dbraw/zinc/74/40/57/1130744057.db2.gz IJBOKYPNQYNJRV-UHFFFAOYSA-N 2 1 288.479 3.806 20 0 CHADMP C[C@@H](C[N@@H+](C)C1CC[NH2+]CC1)c1cccc2ccccc21 ZINC001235471324 1130746739 /nfs/dbraw/zinc/74/67/39/1130746739.db2.gz DPTHYJGHIKMKPF-HNNXBMFYSA-N 2 1 282.431 3.627 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+](C)C3CC[NH2+]CC3)cc2)c1 ZINC001235465159 1130747151 /nfs/dbraw/zinc/74/71/51/1130747151.db2.gz HMAZGWTZHURASB-UHFFFAOYSA-N 2 1 294.442 3.846 20 0 CHADMP C[C@@H](C1CC1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000782184028 1130760108 /nfs/dbraw/zinc/76/01/08/1130760108.db2.gz PZIGHJOUQHZSPU-INIZCTEOSA-N 2 1 286.463 3.629 20 0 CHADMP c1ccc([C@@H]2CCC[N@H+](CC3CC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001235663597 1130762351 /nfs/dbraw/zinc/76/23/51/1130762351.db2.gz IPBDMDNPUPCUAZ-LJQANCHMSA-N 2 1 298.474 3.646 20 0 CHADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC001235672933 1130764349 /nfs/dbraw/zinc/76/43/49/1130764349.db2.gz JPBZKOMVXVKELL-CQSZACIVSA-N 2 1 294.398 3.757 20 0 CHADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)cc1 ZINC001235673564 1130764547 /nfs/dbraw/zinc/76/45/47/1130764547.db2.gz OAUDGASKLTYJAB-HXUWFJFHSA-N 2 1 294.442 3.600 20 0 CHADMP c1csc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)CC[NH2+]C3)c1 ZINC001235677249 1130765353 /nfs/dbraw/zinc/76/53/53/1130765353.db2.gz FYOMDZXLVDAIPV-KRWDZBQOSA-N 2 1 298.455 3.731 20 0 CHADMP c1ccc([C@@H]2CCC[N@@H+]2CC2CC3(C2)CC[NH2+]CC3)cc1 ZINC001235674071 1130765512 /nfs/dbraw/zinc/76/55/12/1130765512.db2.gz LFYWARKHHWJSKF-SFHVURJKSA-N 2 1 284.447 3.603 20 0 CHADMP CCC[C@@H]1CCCC[N@H+]1Cc1cc2c(s1)C[NH2+]CC2 ZINC001235694876 1130769184 /nfs/dbraw/zinc/76/91/84/1130769184.db2.gz WWGJPNGISLBJFJ-CQSZACIVSA-N 2 1 278.465 3.548 20 0 CHADMP FC1(C[N@H+]2CCC[C@@H]2c2ccccc2Cl)CC[NH2+]CC1 ZINC001235693827 1130769501 /nfs/dbraw/zinc/76/95/01/1130769501.db2.gz HVCCQEWCXKLZRB-OAHLLOKOSA-N 2 1 296.817 3.569 20 0 CHADMP c1cc(C2CCCCC2)ccc1C[N@@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235713734 1130770911 /nfs/dbraw/zinc/77/09/11/1130770911.db2.gz OLZHANBHTILDNP-UHFFFAOYSA-N 2 1 298.474 3.920 20 0 CHADMP c1cc(C2CCCCC2)ccc1C[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235713734 1130770914 /nfs/dbraw/zinc/77/09/14/1130770914.db2.gz OLZHANBHTILDNP-UHFFFAOYSA-N 2 1 298.474 3.920 20 0 CHADMP C[C@@H](C[N@H+]1CCCC2(C[NH2+]C2)C1)c1cccc2ccccc21 ZINC001235711480 1130771187 /nfs/dbraw/zinc/77/11/87/1130771187.db2.gz PUEWYVWFYCBXNK-INIZCTEOSA-N 2 1 294.442 3.629 20 0 CHADMP CCSc1ccccc1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235718021 1130771740 /nfs/dbraw/zinc/77/17/40/1130771740.db2.gz SDWLLOLKJHYOOS-UHFFFAOYSA-N 2 1 292.492 3.620 20 0 CHADMP CCCc1ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)s1 ZINC001235716756 1130772026 /nfs/dbraw/zinc/77/20/26/1130772026.db2.gz JYRNKOOIZBXSLW-UHFFFAOYSA-N 2 1 280.481 3.522 20 0 CHADMP CCC(C)(C)c1ccc(C[N@@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001235714133 1130772459 /nfs/dbraw/zinc/77/24/59/1130772459.db2.gz SEBSUKLSQFLYGA-UHFFFAOYSA-N 2 1 286.463 3.560 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001235714133 1130772464 /nfs/dbraw/zinc/77/24/64/1130772464.db2.gz SEBSUKLSQFLYGA-UHFFFAOYSA-N 2 1 286.463 3.560 20 0 CHADMP [NH3+]CCCCC[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC001235797366 1130780087 /nfs/dbraw/zinc/78/00/87/1130780087.db2.gz VSQVPANWZSLODD-FQEVSTJZSA-N 2 1 294.442 3.763 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3[C@@H]4CC[C@H]3C[C@@H]([NH3+])C4)cc2)o1 ZINC001235808702 1130782563 /nfs/dbraw/zinc/78/25/63/1130782563.db2.gz DKISUZBILBLCOW-BCDXTJNWSA-N 2 1 296.414 3.709 20 0 CHADMP CC(C)c1cc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)ccc1Cl ZINC001235841772 1130787728 /nfs/dbraw/zinc/78/77/28/1130787728.db2.gz JDUQETOUDVFXFS-AWEZNQCLSA-N 2 1 280.843 3.505 20 0 CHADMP C[N@H+](Cc1ccc(-c2cccs2)s1)C[C@@H]1CC[NH2+]C1 ZINC001235843618 1130787862 /nfs/dbraw/zinc/78/78/62/1130787862.db2.gz ZUYOOGUSIGLACL-GFCCVEGCSA-N 2 1 292.473 3.518 20 0 CHADMP Cc1c(C[N@H+]2C[C@H]([NH3+])CC[C@@H]2C)cccc1-c1ccccc1 ZINC001235891742 1130794711 /nfs/dbraw/zinc/79/47/11/1130794711.db2.gz IQJMHKCVFVLDFS-HNAYVOBHSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1c(C[N@@H+]2C[C@H]([NH3+])CC[C@@H]2C)cccc1-c1ccccc1 ZINC001235891742 1130794716 /nfs/dbraw/zinc/79/47/16/1130794716.db2.gz IQJMHKCVFVLDFS-HNAYVOBHSA-N 2 1 294.442 3.974 20 0 CHADMP C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000783220181 1130803532 /nfs/dbraw/zinc/80/35/32/1130803532.db2.gz AFJHMZWLBNVUAR-GJYPPUQNSA-N 2 1 286.463 3.807 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235925924 1130805583 /nfs/dbraw/zinc/80/55/83/1130805583.db2.gz SCDZOGFENAIPHC-SFHVURJKSA-N 2 1 294.442 3.975 20 0 CHADMP c1cc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)cc2c1C[NH2+]C2 ZINC001235949645 1130813904 /nfs/dbraw/zinc/81/39/04/1130813904.db2.gz PQLASXXROFEIIE-GOSISDBHSA-N 2 1 284.447 3.692 20 0 CHADMP c1cc2c(cc1C[N@H+]1CC[C@@H](C3CCCCC3)C1)CC[NH2+]C2 ZINC001235949548 1130814186 /nfs/dbraw/zinc/81/41/86/1130814186.db2.gz OPRPZKNVKWRAFP-HXUWFJFHSA-N 2 1 298.474 3.735 20 0 CHADMP C(C1CC2(C1)CC[NH2+]CC2)[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC001235949742 1130814434 /nfs/dbraw/zinc/81/44/34/1130814434.db2.gz SEGGHHZQSTXVJT-SFHVURJKSA-N 2 1 290.495 3.668 20 0 CHADMP CC[C@H](c1ccccc1)[N@H+](C)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235958838 1130816370 /nfs/dbraw/zinc/81/63/70/1130816370.db2.gz BCBVBXWRXBBUAZ-NUEKZKHPSA-N 2 1 296.405 3.560 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235958838 1130816377 /nfs/dbraw/zinc/81/63/77/1130816377.db2.gz BCBVBXWRXBBUAZ-NUEKZKHPSA-N 2 1 296.405 3.560 20 0 CHADMP CC[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001235960110 1130816553 /nfs/dbraw/zinc/81/65/53/1130816553.db2.gz OEJFMPOUMKETQO-FQEVSTJZSA-N 2 1 294.442 3.915 20 0 CHADMP CC(C)c1cc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC001235957463 1130816601 /nfs/dbraw/zinc/81/66/01/1130816601.db2.gz OYDJSGNWKUOWQS-OAHLLOKOSA-N 2 1 294.870 3.895 20 0 CHADMP c1ccc([C@H]2CCC[N@H+](CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC001235958795 1130816624 /nfs/dbraw/zinc/81/66/24/1130816624.db2.gz AIOWLICSKAAUBV-HKUYNNGSSA-N 2 1 286.463 3.646 20 0 CHADMP C[N@@H+](CC1(F)CC[NH2+]CC1)C1CCC(C(C)(C)C)CC1 ZINC001236007490 1130832046 /nfs/dbraw/zinc/83/20/46/1130832046.db2.gz DEMLLRGZMJUBDQ-UHFFFAOYSA-N 2 1 284.463 3.615 20 0 CHADMP c1cc(C[N@H+]2CCC[C@H]2C2CCCCC2)cc2c1C[NH2+]C2 ZINC001236040975 1130835323 /nfs/dbraw/zinc/83/53/23/1130835323.db2.gz GOBHBNMWKMZZHF-IBGZPJMESA-N 2 1 284.447 3.835 20 0 CHADMP C(C1CC2(C1)CC[NH2+]CC2)[N@H+]1CCC[C@H]1C1CCCCC1 ZINC001236043219 1130835750 /nfs/dbraw/zinc/83/57/50/1130835750.db2.gz VTWLQFRIVXQADJ-SFHVURJKSA-N 2 1 290.495 3.811 20 0 CHADMP C[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2c3ccccc3[nH]c2C(C)(C)C)C1 ZINC001236047185 1130837618 /nfs/dbraw/zinc/83/76/18/1130837618.db2.gz LDPSJURSMXUQDK-KGLIPLIRSA-N 2 1 299.462 3.635 20 0 CHADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2c3ccccc3[nH]c2C(C)(C)C)C1 ZINC001236047185 1130837623 /nfs/dbraw/zinc/83/76/23/1130837623.db2.gz LDPSJURSMXUQDK-KGLIPLIRSA-N 2 1 299.462 3.635 20 0 CHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2sc3scc(C)c3c2C)C1 ZINC001236067200 1130846332 /nfs/dbraw/zinc/84/63/32/1130846332.db2.gz NSMLKTOMBCPOMO-LBPRGKRZSA-N 2 1 294.489 3.621 20 0 CHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001236068220 1130847466 /nfs/dbraw/zinc/84/74/66/1130847466.db2.gz WGGVWKMDVWDKHQ-MRXNPFEDSA-N 2 1 298.405 3.534 20 0 CHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c3ccccc3[nH]c2C(C)(C)C)C1 ZINC001236068919 1130847986 /nfs/dbraw/zinc/84/79/86/1130847986.db2.gz YXRWWWMVFPHECV-AWEZNQCLSA-N 2 1 299.462 3.507 20 0 CHADMP C[N@@H+](CCCC[NH3+])Cc1cccc2c3ccccc3oc21 ZINC001236142673 1130873465 /nfs/dbraw/zinc/87/34/65/1130873465.db2.gz ZORBGLLZQUOVST-UHFFFAOYSA-N 2 1 282.387 3.757 20 0 CHADMP Clc1cccc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)c1 ZINC001236152186 1130876583 /nfs/dbraw/zinc/87/65/83/1130876583.db2.gz OWSRHTQXDHXPAV-WMLDXEAASA-N 2 1 292.854 3.867 20 0 CHADMP CCC[N@@H+](CCCc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC001236181207 1130879821 /nfs/dbraw/zinc/87/98/21/1130879821.db2.gz XIUGOZZAQAPQPC-UHFFFAOYSA-N 2 1 294.870 3.737 20 0 CHADMP CC/C=C\CCCCC[N@H+](CCC)C1CC[NH2+]CC1 ZINC001236180478 1130879857 /nfs/dbraw/zinc/87/98/57/1130879857.db2.gz KADXCVWKEXCCIA-WAYWQWQTSA-N 2 1 266.473 3.977 20 0 CHADMP C[N@@H+](Cc1cccc(C[NH3+])c1)Cc1ccc2ccccc2c1 ZINC001236184804 1130881506 /nfs/dbraw/zinc/88/15/06/1130881506.db2.gz VFXGODSSVKQHOQ-UHFFFAOYSA-N 2 1 290.410 3.931 20 0 CHADMP c1[nH]c2ccccc2c1[C@H]1CCC[N@@H+]1CC[C@H]1CCCC[NH2+]1 ZINC001236191018 1130883848 /nfs/dbraw/zinc/88/38/48/1130883848.db2.gz JBZAAJUQJQQYRF-DNVCBOLYSA-N 2 1 297.446 3.837 20 0 CHADMP CCCCOc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236210315 1130887749 /nfs/dbraw/zinc/88/77/49/1130887749.db2.gz AUSFPPDWIKELMW-ROUUACIJSA-N 2 1 290.451 3.567 20 0 CHADMP CCCCOc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236210315 1130887755 /nfs/dbraw/zinc/88/77/55/1130887755.db2.gz AUSFPPDWIKELMW-ROUUACIJSA-N 2 1 290.451 3.567 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)CCC(C)(C)c2ccccc2)CC1 ZINC001236212568 1130889855 /nfs/dbraw/zinc/88/98/55/1130889855.db2.gz HNPRVEMISKXUOT-UHFFFAOYSA-N 2 1 288.479 3.817 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215711 1130889981 /nfs/dbraw/zinc/88/99/81/1130889981.db2.gz IGGZLRDHXITWJE-RTBURBONSA-N 2 1 282.431 3.850 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(C)ccc2Cl)CC1 ZINC001236214877 1130891308 /nfs/dbraw/zinc/89/13/08/1130891308.db2.gz JCBSEFVVPQLXOJ-UHFFFAOYSA-N 2 1 280.843 3.611 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(C)cc(SC)c2)CC1 ZINC001236215940 1130893580 /nfs/dbraw/zinc/89/35/80/1130893580.db2.gz SWWRBZLMQWWOJP-UHFFFAOYSA-N 2 1 292.492 3.679 20 0 CHADMP C[N@H+](Cc1ccc(C2CCC2)cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217004 1130894133 /nfs/dbraw/zinc/89/41/33/1130894133.db2.gz MKBMSPILPZBVRQ-ZWKOTPCHSA-N 2 1 272.436 3.656 20 0 CHADMP C[N@@H+](Cc1ccc(C2CCC2)cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217004 1130894136 /nfs/dbraw/zinc/89/41/36/1130894136.db2.gz MKBMSPILPZBVRQ-ZWKOTPCHSA-N 2 1 272.436 3.656 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216187 1130894369 /nfs/dbraw/zinc/89/43/69/1130894369.db2.gz IWLHHYIYEQSDHY-HOTGVXAUSA-N 2 1 288.460 3.911 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216187 1130894375 /nfs/dbraw/zinc/89/43/75/1130894375.db2.gz IWLHHYIYEQSDHY-HOTGVXAUSA-N 2 1 288.460 3.911 20 0 CHADMP C[N@@H+](Cc1cccc2c(F)cccc12)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236223178 1130897555 /nfs/dbraw/zinc/89/75/55/1130897555.db2.gz LPDSHQXZWKZYDI-SHTZXODSSA-N 2 1 286.394 3.681 20 0 CHADMP CC[N@@H+](Cc1ccc2c(c1)C[NH2+]C2)Cc1ccc(C)c(C)c1 ZINC001236241440 1130901301 /nfs/dbraw/zinc/90/13/01/1130901301.db2.gz RMTUARFXDGOZND-UHFFFAOYSA-N 2 1 294.442 3.929 20 0 CHADMP C[N@@H+](CCC[NH2+]C1CCCCC1)CCc1ccccc1F ZINC001236265843 1130909423 /nfs/dbraw/zinc/90/94/23/1130909423.db2.gz NTVCYSJDDKGLOE-UHFFFAOYSA-N 2 1 292.442 3.612 20 0 CHADMP CC[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001236302670 1130911670 /nfs/dbraw/zinc/91/16/70/1130911670.db2.gz ARASUSHKHSTUCC-ZIAGYGMSSA-N 2 1 286.341 3.580 20 0 CHADMP CC[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001236302670 1130911672 /nfs/dbraw/zinc/91/16/72/1130911672.db2.gz ARASUSHKHSTUCC-ZIAGYGMSSA-N 2 1 286.341 3.580 20 0 CHADMP C[C@H](CC[NH2+]Cc1cnc2ccccc2c1)[NH+]1CCCCC1 ZINC000784671076 1130915797 /nfs/dbraw/zinc/91/57/97/1130915797.db2.gz OVTAHIYLKNPZMO-MRXNPFEDSA-N 2 1 297.446 3.589 20 0 CHADMP CC(C)(C)CC[N@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236366838 1130920334 /nfs/dbraw/zinc/92/03/34/1130920334.db2.gz HPSKCSDNCXCCNS-UHFFFAOYSA-N 2 1 292.442 3.816 20 0 CHADMP CC(C)(C)CC[N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236366838 1130920336 /nfs/dbraw/zinc/92/03/36/1130920336.db2.gz HPSKCSDNCXCCNS-UHFFFAOYSA-N 2 1 292.442 3.816 20 0 CHADMP CC/C=C\CC[N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236400913 1130927574 /nfs/dbraw/zinc/92/75/74/1130927574.db2.gz IUFPOSFJLUOLCM-ARJAWSKDSA-N 2 1 290.426 3.736 20 0 CHADMP CC[N@H+](Cc1ccc(-c2ccc(C)o2)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236408875 1130930888 /nfs/dbraw/zinc/93/08/88/1130930888.db2.gz PUHAYSSQQDQBLI-QGZVFWFLSA-N 2 1 298.430 3.686 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+]1CCC[C@@H]([NH3+])[C@@H]1C ZINC001236421739 1130936556 /nfs/dbraw/zinc/93/65/56/1130936556.db2.gz UCWKMUJMOWRXGV-XHDPSFHLSA-N 2 1 274.433 3.521 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+]1CCC[C@@H]([NH3+])[C@@H]1C ZINC001236421739 1130936557 /nfs/dbraw/zinc/93/65/57/1130936557.db2.gz UCWKMUJMOWRXGV-XHDPSFHLSA-N 2 1 274.433 3.521 20 0 CHADMP Cc1cc(C)c(-c2cccc(C[NH+](C)C)c2)c(C)[nH+]1 ZINC001236425034 1130938418 /nfs/dbraw/zinc/93/84/18/1130938418.db2.gz CWOWLCAFZFONEF-UHFFFAOYSA-N 2 1 254.377 3.735 20 0 CHADMP C[C@@H]1C[C@H]1C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001236452564 1130945509 /nfs/dbraw/zinc/94/55/09/1130945509.db2.gz FVTIAFFBRZFKNZ-HIFRSBDPSA-N 2 1 292.854 3.550 20 0 CHADMP Cc1cc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)ccc1F ZINC001236456736 1130946156 /nfs/dbraw/zinc/94/61/56/1130946156.db2.gz GKYYBMXLWAHYRI-UHFFFAOYSA-N 2 1 292.442 3.734 20 0 CHADMP CC/C=C\CCC[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236454830 1130947181 /nfs/dbraw/zinc/94/71/81/1130947181.db2.gz MYLSRWPRTOPIBJ-SREVYHEPSA-N 2 1 266.473 3.833 20 0 CHADMP CCCCCC[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236454923 1130947274 /nfs/dbraw/zinc/94/72/74/1130947274.db2.gz OBUBXDUGPFVACO-UHFFFAOYSA-N 2 1 254.462 3.667 20 0 CHADMP CC(C)(C)C[N@@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236533830 1130967596 /nfs/dbraw/zinc/96/75/96/1130967596.db2.gz INBCLTCJXSXBGD-WKILWMFISA-N 2 1 292.442 3.944 20 0 CHADMP CC(C)C[N@@H+](C[C@@H]1CC=CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236549923 1130973925 /nfs/dbraw/zinc/97/39/25/1130973925.db2.gz CTTACSLSZFVSHY-BRWVUGGUSA-N 2 1 264.457 3.571 20 0 CHADMP Cc1csc(C[N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236552520 1130974462 /nfs/dbraw/zinc/97/44/62/1130974462.db2.gz WZUGJAHMKFJWCZ-SHTZXODSSA-N 2 1 280.481 3.784 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)C2CCCC2)CC1 ZINC001236567061 1130976400 /nfs/dbraw/zinc/97/64/00/1130976400.db2.gz RTMJIIRVGARUDG-SAABIXHNSA-N 2 1 290.426 3.840 20 0 CHADMP CCc1cccc(C[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236572490 1130978782 /nfs/dbraw/zinc/97/87/82/1130978782.db2.gz NJEMABQBEORFSS-UAPYVXQJSA-N 2 1 286.463 3.873 20 0 CHADMP Cc1ccc(C[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c(C)c1 ZINC001236571727 1130978808 /nfs/dbraw/zinc/97/88/08/1130978808.db2.gz FIAFIYGIIOUUBM-UAPYVXQJSA-N 2 1 286.463 3.928 20 0 CHADMP Cc1ccc(F)cc1C[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236573104 1130978821 /nfs/dbraw/zinc/97/88/21/1130978821.db2.gz VVRSLQMVWHWXNE-SAABIXHNSA-N 2 1 290.426 3.759 20 0 CHADMP Cc1ccc(Cl)cc1C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236638232 1130987149 /nfs/dbraw/zinc/98/71/49/1130987149.db2.gz XCQRJHSGTJQAPQ-UHFFFAOYSA-N 2 1 292.854 3.755 20 0 CHADMP c1cc2c(cccc2C[NH+]2CCC([NH+]3CCC3)CC2)s1 ZINC001236692778 1130995238 /nfs/dbraw/zinc/99/52/38/1130995238.db2.gz SDZSMUPQUWRQIH-UHFFFAOYSA-N 2 1 286.444 3.571 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000815575926 1131001978 /nfs/dbraw/zinc/00/19/78/1131001978.db2.gz FDOQFIUBNWECMH-JSGCOSHPSA-N 2 1 289.398 3.626 20 0 CHADMP CC[C@@H](C)C[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236769399 1131004811 /nfs/dbraw/zinc/00/48/11/1131004811.db2.gz UJVSULYWXICBQG-RBSFLKMASA-N 2 1 254.462 3.651 20 0 CHADMP CC(C)(C)C[N@@H+](C[C@H]1CC=CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236769655 1131005237 /nfs/dbraw/zinc/00/52/37/1131005237.db2.gz YKFLDUBYNQRGHC-ULQDDVLXSA-N 2 1 278.484 3.961 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000815572104 1131006825 /nfs/dbraw/zinc/00/68/25/1131006825.db2.gz UWYAQTFPBUGSRN-IRXDYDNUSA-N 2 1 278.484 3.811 20 0 CHADMP CCCC[C@H](CC)C[N@@H+](CCC)C[C@H]1CC[NH2+]C1 ZINC001236831411 1131015558 /nfs/dbraw/zinc/01/55/58/1131015558.db2.gz QSIOSXPKYQVPFH-HOTGVXAUSA-N 2 1 254.462 3.524 20 0 CHADMP CCC[N@@H+](CCCc1cccc(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC001236830731 1131016489 /nfs/dbraw/zinc/01/64/89/1131016489.db2.gz OEUDEDNTYQRRMC-INIZCTEOSA-N 2 1 294.870 3.594 20 0 CHADMP CCC[N@@H+](CCCc1cccc(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC001236830732 1131016609 /nfs/dbraw/zinc/01/66/09/1131016609.db2.gz OEUDEDNTYQRRMC-MRXNPFEDSA-N 2 1 294.870 3.594 20 0 CHADMP CCC[N@H+](Cc1ccc(-c2ccccc2)o1)C[C@@H]1CC[NH2+]C1 ZINC001236842969 1131021819 /nfs/dbraw/zinc/02/18/19/1131021819.db2.gz IOGASQYVQGXEFT-MRXNPFEDSA-N 2 1 298.430 3.768 20 0 CHADMP C[C@H]([NH3+])C[NH+]1CCC(c2ccc(-c3ccccc3)cc2)CC1 ZINC001237043692 1131038294 /nfs/dbraw/zinc/03/82/94/1131038294.db2.gz RTDQYDFWCPFZEJ-INIZCTEOSA-N 2 1 294.442 3.880 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237057450 1131044160 /nfs/dbraw/zinc/04/41/60/1131044160.db2.gz MWVQNJYBUAGUMT-QGZVFWFLSA-N 2 1 288.460 3.771 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)c(C)c1Cl ZINC001237080202 1131046541 /nfs/dbraw/zinc/04/65/41/1131046541.db2.gz DYXICJXSBGSHOP-MRXNPFEDSA-N 2 1 280.843 3.518 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c(C)c1Cl ZINC001237080202 1131046546 /nfs/dbraw/zinc/04/65/46/1131046546.db2.gz DYXICJXSBGSHOP-MRXNPFEDSA-N 2 1 280.843 3.518 20 0 CHADMP CC[N@H+](CCC[NH+](C)C)Cc1cccc(OC(C)(C)C)c1 ZINC001237107769 1131051383 /nfs/dbraw/zinc/05/13/83/1131051383.db2.gz ZJFSLUKYKYCQBK-UHFFFAOYSA-N 2 1 292.467 3.638 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(OC(C)(C)C)c1 ZINC001237107769 1131051389 /nfs/dbraw/zinc/05/13/89/1131051389.db2.gz ZJFSLUKYKYCQBK-UHFFFAOYSA-N 2 1 292.467 3.638 20 0 CHADMP CC(C)c1ccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001237145307 1131057665 /nfs/dbraw/zinc/05/76/65/1131057665.db2.gz MTZZGLNJAZOCJK-IBGZPJMESA-N 2 1 286.463 3.917 20 0 CHADMP CC(C)c1ccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001237145307 1131057672 /nfs/dbraw/zinc/05/76/72/1131057672.db2.gz MTZZGLNJAZOCJK-IBGZPJMESA-N 2 1 286.463 3.917 20 0 CHADMP c1ccc2cc(C[N@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)ccc2c1 ZINC001237146748 1131058862 /nfs/dbraw/zinc/05/88/62/1131058862.db2.gz VFKFWUWGJFMCRX-HXUWFJFHSA-N 2 1 294.442 3.946 20 0 CHADMP c1ccc2cc(C[N@@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)ccc2c1 ZINC001237146748 1131058867 /nfs/dbraw/zinc/05/88/67/1131058867.db2.gz VFKFWUWGJFMCRX-HXUWFJFHSA-N 2 1 294.442 3.946 20 0 CHADMP C[NH+]1CCC2(CCC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC000798957418 1131065154 /nfs/dbraw/zinc/06/51/54/1131065154.db2.gz WMKOSMFVGKUTJG-UHFFFAOYSA-N 2 1 278.484 3.765 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc2cccccc1-2 ZINC001237186337 1131067065 /nfs/dbraw/zinc/06/70/65/1131067065.db2.gz XEBVLWOUWNTFEF-UHFFFAOYSA-N 2 1 284.447 3.955 20 0 CHADMP CCCCc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237405800 1131097524 /nfs/dbraw/zinc/09/75/24/1131097524.db2.gz SAJOHWHKXHZUAS-MOPGFXCFSA-N 2 1 286.463 3.603 20 0 CHADMP CCC[NH+]1C[C@H]2C[NH+](Cc3cccc(C(C)C)c3)C[C@@H]2C1 ZINC001237460831 1131101508 /nfs/dbraw/zinc/10/15/08/1131101508.db2.gz YSIXAVFFEONPLK-OALUTQOASA-N 2 1 286.463 3.584 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(C)cc(C)c2)C1 ZINC001116293769 1131139362 /nfs/dbraw/zinc/13/93/62/1131139362.db2.gz XNUILYZBOGUKAU-IAGOWNOFSA-N 2 1 274.452 3.686 20 0 CHADMP Cc1cccc(F)c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000817896955 1131186975 /nfs/dbraw/zinc/18/69/75/1131186975.db2.gz AIABAAYDTHVONS-BMGDILEWSA-N 2 1 290.426 3.535 20 0 CHADMP C[NH2+]CCC[NH2+][C@@H](C)c1ccccc1SC(C)(C)C ZINC000817941717 1131188310 /nfs/dbraw/zinc/18/83/10/1131188310.db2.gz VWMXCLSNXBGKHM-ZDUSSCGKSA-N 2 1 280.481 3.837 20 0 CHADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccccc1SC(C)(C)C ZINC000817960006 1131192829 /nfs/dbraw/zinc/19/28/29/1131192829.db2.gz KCPQALJTABHJPV-GFCCVEGCSA-N 2 1 280.481 3.965 20 0 CHADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccccc1SC(C)(C)C ZINC000817961376 1131193093 /nfs/dbraw/zinc/19/30/93/1131193093.db2.gz XVJWSAAJHJQFJS-DOMZBBRYSA-N 2 1 292.492 3.965 20 0 CHADMP CC[NH+](CC)C1CC[NH+](Cc2cccc3ccoc32)CC1 ZINC001117784538 1131199716 /nfs/dbraw/zinc/19/97/16/1131199716.db2.gz RULLVFOQGOKJFF-UHFFFAOYSA-N 2 1 286.419 3.739 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118198867 1131215061 /nfs/dbraw/zinc/21/50/61/1131215061.db2.gz XCBDPLBUJIHGHX-AWEZNQCLSA-N 2 1 292.854 3.867 20 0 CHADMP CC(C)CC(CC(C)C)[NH2+][C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001246339256 1131477063 /nfs/dbraw/zinc/47/70/63/1131477063.db2.gz CNVLJVRMTRWISE-KGLIPLIRSA-N 2 1 294.405 3.577 20 0 CHADMP CCC[N@@H+](Cc1ccc(-n2cc[nH+]c2C)cc1)CC1CC1 ZINC001138543609 1131519145 /nfs/dbraw/zinc/51/91/45/1131519145.db2.gz RDQJJFGDFSOWSV-UHFFFAOYSA-N 2 1 283.419 3.803 20 0 CHADMP CCC[N@H+](Cc1ccc(-n2cc[nH+]c2C)cc1)CC1CC1 ZINC001138543609 1131519149 /nfs/dbraw/zinc/51/91/49/1131519149.db2.gz RDQJJFGDFSOWSV-UHFFFAOYSA-N 2 1 283.419 3.803 20 0 CHADMP Cc1nccn1-c1ccc(C[N@@H+]2CCC[C@@H]2C(C)C)cc1 ZINC001138550410 1131520175 /nfs/dbraw/zinc/52/01/75/1131520175.db2.gz SGIZMSGRANJUCN-GOSISDBHSA-N 2 1 283.419 3.801 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@H]2C(C)C)cc1 ZINC001138550410 1131520179 /nfs/dbraw/zinc/52/01/79/1131520179.db2.gz SGIZMSGRANJUCN-GOSISDBHSA-N 2 1 283.419 3.801 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@H]2C(C)C)cc1 ZINC001138550410 1131520182 /nfs/dbraw/zinc/52/01/82/1131520182.db2.gz SGIZMSGRANJUCN-GOSISDBHSA-N 2 1 283.419 3.801 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001138548222 1131520499 /nfs/dbraw/zinc/52/04/99/1131520499.db2.gz ALIDYTYPJMCGJK-HUUCEWRRSA-N 2 1 283.419 3.659 20 0 CHADMP Cc1cc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c(C)s1 ZINC001138568330 1131521935 /nfs/dbraw/zinc/52/19/35/1131521935.db2.gz XWCCLJCRVVCXPY-UHFFFAOYSA-N 2 1 294.508 3.917 20 0 CHADMP CCCC[C@@H](CC(C)C)[NH2+]CC[C@@H]1CC[NH2+]CC1(F)F ZINC001246479831 1131522709 /nfs/dbraw/zinc/52/27/09/1131522709.db2.gz AHYVNZVBBNNHEG-GJZGRUSLSA-N 2 1 290.442 3.816 20 0 CHADMP Cc1nc2c(s1)[C@H]([N@@H+](C)CCCCCCC[NH3+])CCC2 ZINC000844221564 1131537517 /nfs/dbraw/zinc/53/75/17/1131537517.db2.gz GGBGGFXAQASBFK-OAHLLOKOSA-N 2 1 295.496 3.670 20 0 CHADMP Cc1cccc2[nH]cc(C[NH+]3CCC([NH+]4CCCC4)CC3)c21 ZINC001139191075 1131593593 /nfs/dbraw/zinc/59/35/93/1131593593.db2.gz HLAGTTDIVMIIQP-UHFFFAOYSA-N 2 1 297.446 3.537 20 0 CHADMP Cc1ccc(SC[C@H](C)[N@H+]2CCC[C@](C)([NH3+])CC2)cc1 ZINC001246554466 1131613625 /nfs/dbraw/zinc/61/36/25/1131613625.db2.gz VEWUZCBBMASZOD-RDJZCZTQSA-N 2 1 292.492 3.679 20 0 CHADMP CC(C)C1CCC([N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC001246567517 1131635144 /nfs/dbraw/zinc/63/51/44/1131635144.db2.gz LLJSVTOZCSCVAU-KZYLPZIUSA-N 2 1 266.473 3.508 20 0 CHADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)C[C@H]1CC1(C)C ZINC001140025502 1131657036 /nfs/dbraw/zinc/65/70/36/1131657036.db2.gz BYVNAHZIAHSZTH-MRXNPFEDSA-N 2 1 283.419 3.659 20 0 CHADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)C[C@H]1CC1(C)C ZINC001140025502 1131657038 /nfs/dbraw/zinc/65/70/38/1131657038.db2.gz BYVNAHZIAHSZTH-MRXNPFEDSA-N 2 1 283.419 3.659 20 0 CHADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)C[C@@H]1CC1(C)C ZINC001140025501 1131657048 /nfs/dbraw/zinc/65/70/48/1131657048.db2.gz BYVNAHZIAHSZTH-INIZCTEOSA-N 2 1 283.419 3.659 20 0 CHADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)C[C@@H]1CC1(C)C ZINC001140025501 1131657051 /nfs/dbraw/zinc/65/70/51/1131657051.db2.gz BYVNAHZIAHSZTH-INIZCTEOSA-N 2 1 283.419 3.659 20 0 CHADMP Cc1nccn1-c1ccccc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001140021531 1131657482 /nfs/dbraw/zinc/65/74/82/1131657482.db2.gz NHVWXJYWSRGLSH-CALCHBBNSA-N 2 1 295.430 3.803 20 0 CHADMP C[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C[C@H]1C ZINC001246577429 1131664947 /nfs/dbraw/zinc/66/49/47/1131664947.db2.gz WLTYRIYXCQNGGH-BRWVUGGUSA-N 2 1 278.484 3.809 20 0 CHADMP CC(C)CC(CC(C)C)[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246577883 1131669349 /nfs/dbraw/zinc/66/93/49/1131669349.db2.gz QPMHFPDZLKHBMJ-QGZVFWFLSA-N 2 1 268.489 3.898 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246579310 1131677178 /nfs/dbraw/zinc/67/71/78/1131677178.db2.gz UHOKOCWYOHYVJQ-YESZJQIVSA-N 2 1 268.489 3.898 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001246590679 1131707226 /nfs/dbraw/zinc/70/72/26/1131707226.db2.gz KOXSXBBJXLGTDG-VGWMRTNUSA-N 2 1 254.462 3.506 20 0 CHADMP CCCCCC[C@H](CC)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246584775 1131693609 /nfs/dbraw/zinc/69/36/09/1131693609.db2.gz UUJHSJZXFJKORY-HOTGVXAUSA-N 2 1 254.462 3.796 20 0 CHADMP CCc1nc2c(s1)[C@H]([N@@H+](C)CCCCCC[NH3+])CCC2 ZINC000846221263 1131701546 /nfs/dbraw/zinc/70/15/46/1131701546.db2.gz VUMBCMYNHJLNQS-CQSZACIVSA-N 2 1 295.496 3.534 20 0 CHADMP C[C@@H]1SCC[N@@H+](CCCCCC[NH3+])[C@H]1c1ccccc1 ZINC000846219258 1131702155 /nfs/dbraw/zinc/70/21/55/1131702155.db2.gz MQEWWXITSZCXSC-DOTOQJQBSA-N 2 1 292.492 3.684 20 0 CHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)CC(C)(C)C1 ZINC001246614160 1131718727 /nfs/dbraw/zinc/71/87/27/1131718727.db2.gz MNXWGLQKFDMUFJ-NUJGCVRESA-N 2 1 278.484 3.809 20 0 CHADMP CCCCCC(CCCCC)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246625087 1131722720 /nfs/dbraw/zinc/72/27/20/1131722720.db2.gz OVOMAXQYQJBIKN-IYBDPMFKSA-N 2 1 266.473 3.667 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CC1 ZINC000834908360 1131730527 /nfs/dbraw/zinc/73/05/27/1131730527.db2.gz DESUMNOLYJACSM-YESZJQIVSA-N 2 1 278.484 3.809 20 0 CHADMP Cn1c[nH+]cc1CCC[NH2+]C(C1CCCC1)C1CCCC1 ZINC000846844180 1131748389 /nfs/dbraw/zinc/74/83/89/1131748389.db2.gz MHJDIMJBXRRQHM-UHFFFAOYSA-N 2 1 289.467 3.691 20 0 CHADMP C1C[N@@H+]([C@@H]2CCCC3(CCCCC3)C2)[C@]2(C1)CC[NH2+]C2 ZINC001246646523 1131773473 /nfs/dbraw/zinc/77/34/73/1131773473.db2.gz FRHKVRHVDWRAGA-SJLPKXTDSA-N 2 1 276.468 3.707 20 0 CHADMP CCCCCC[C@H](CCC)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246648122 1131775600 /nfs/dbraw/zinc/77/56/00/1131775600.db2.gz OODMMMMLYUHADD-IKGGRYGDSA-N 2 1 266.473 3.667 20 0 CHADMP CCCCCC[C@H](CCC)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246648122 1131775606 /nfs/dbraw/zinc/77/56/06/1131775606.db2.gz OODMMMMLYUHADD-IKGGRYGDSA-N 2 1 266.473 3.667 20 0 CHADMP CCC(C)(C)C1CCC([N@H+]2CCC[C@@]23CC[NH2+]C3)CC1 ZINC001246649020 1131777264 /nfs/dbraw/zinc/77/72/64/1131777264.db2.gz OEIYSOWECQTVFF-HTWSVDAQSA-N 2 1 278.484 3.809 20 0 CHADMP CCC(C)(C)C1CCC([N@H+]2CCC[C@]23CC[NH2+]C3)CC1 ZINC001246649024 1131777412 /nfs/dbraw/zinc/77/74/12/1131777412.db2.gz OEIYSOWECQTVFF-LEOMRAHMSA-N 2 1 278.484 3.809 20 0 CHADMP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)cc1 ZINC001246771423 1131780781 /nfs/dbraw/zinc/78/07/81/1131780781.db2.gz YSRCCSAIVGVQRN-IAGOWNOFSA-N 2 1 274.452 3.594 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](c2ccccc2)C1(C)C ZINC001171267915 1131782134 /nfs/dbraw/zinc/78/21/34/1131782134.db2.gz UKJQWPHMROHZOD-ROUUACIJSA-N 2 1 286.463 3.739 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](c2ccccc2)C1(C)C ZINC001171267915 1131782139 /nfs/dbraw/zinc/78/21/39/1131782139.db2.gz UKJQWPHMROHZOD-ROUUACIJSA-N 2 1 286.463 3.739 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](c2ccccc2)C1(C)C ZINC001171267915 1131782144 /nfs/dbraw/zinc/78/21/44/1131782144.db2.gz UKJQWPHMROHZOD-ROUUACIJSA-N 2 1 286.463 3.739 20 0 CHADMP C[N@@H+]([C@@H]1CCC2(C[NH2+]C2)C1)C1CCC(C(C)(C)C)CC1 ZINC001246853846 1131791010 /nfs/dbraw/zinc/79/10/10/1131791010.db2.gz LSDOYCOTBFLJOM-UYSNPLJNSA-N 2 1 278.484 3.665 20 0 CHADMP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@H]1c1ccccc1SC ZINC001246884591 1131804113 /nfs/dbraw/zinc/80/41/13/1131804113.db2.gz BZNQXGJMLLWRAJ-HIFRSBDPSA-N 2 1 278.465 3.543 20 0 CHADMP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@@H]1c1ccccc1SC ZINC001246884592 1131804153 /nfs/dbraw/zinc/80/41/53/1131804153.db2.gz BZNQXGJMLLWRAJ-UKRRQHHQSA-N 2 1 278.465 3.543 20 0 CHADMP CCC[N@@H+](CC(C)C)C1C[C@@H](CC)[NH2+][C@H](CC)C1 ZINC001246912762 1131814514 /nfs/dbraw/zinc/81/45/14/1131814514.db2.gz SRDDMFJPVFFWRJ-HUUCEWRRSA-N 2 1 254.462 3.664 20 0 CHADMP CCC[C@H](C)CC[C@@H](C)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246936743 1131823787 /nfs/dbraw/zinc/82/37/87/1131823787.db2.gz WYIDIASHUYJHRX-VVLHAWIVSA-N 2 1 266.473 3.523 20 0 CHADMP CCCC[C@@H](CC(C)C)[N@@H+](CCC)C[C@@H]1CC[NH2+]C1 ZINC001246996005 1131838443 /nfs/dbraw/zinc/83/84/43/1131838443.db2.gz QLIBTIXHJBPKRW-SJORKVTESA-N 2 1 268.489 3.913 20 0 CHADMP Cc1cccc(CC[N@H+](C)Cc2c[nH]c3ccncc23)c1 ZINC001140807178 1131927864 /nfs/dbraw/zinc/92/78/64/1131927864.db2.gz POGDVFPVRXDTEX-UHFFFAOYSA-N 2 1 279.387 3.546 20 0 CHADMP Cc1cccc(CC[N@@H+](C)Cc2cnc3cc[nH]cc2-3)c1 ZINC001140807178 1131927870 /nfs/dbraw/zinc/92/78/70/1131927870.db2.gz POGDVFPVRXDTEX-UHFFFAOYSA-N 2 1 279.387 3.546 20 0 CHADMP Cc1cccc(CC[N@@H+](C)Cc2c[nH]c3cc[nH+]cc23)c1 ZINC001140807178 1131927882 /nfs/dbraw/zinc/92/78/82/1131927882.db2.gz POGDVFPVRXDTEX-UHFFFAOYSA-N 2 1 279.387 3.546 20 0 CHADMP Cc1cccc(CC[N@H+](C)Cc2c[nH]c3cc[nH+]cc23)c1 ZINC001140807178 1131927889 /nfs/dbraw/zinc/92/78/89/1131927889.db2.gz POGDVFPVRXDTEX-UHFFFAOYSA-N 2 1 279.387 3.546 20 0 CHADMP C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CCC1 ZINC000716634467 1132028344 /nfs/dbraw/zinc/02/83/44/1132028344.db2.gz BDVIMWUFTWKQQP-UHMOLFJZSA-N 2 1 298.474 3.818 20 0 CHADMP C1=C[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000716694226 1132029118 /nfs/dbraw/zinc/02/91/18/1132029118.db2.gz RXQMHMAWRPAOLN-LEAZDLGRSA-N 2 1 296.458 3.595 20 0 CHADMP C=C/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716703098 1132030567 /nfs/dbraw/zinc/03/05/67/1132030567.db2.gz XNQITIVWFZXMOE-PRVURJPBSA-N 2 1 296.458 3.761 20 0 CHADMP C[NH+]1C(C)(C)CC([NH2+]Cc2ccccc2F)CC1(C)C ZINC001171618217 1132065777 /nfs/dbraw/zinc/06/57/77/1132065777.db2.gz UYWHJCOZIPYSBF-UHFFFAOYSA-N 2 1 278.415 3.567 20 0 CHADMP CC[C@@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1ccccn1 ZINC001171623310 1132066440 /nfs/dbraw/zinc/06/64/40/1132066440.db2.gz SNIYPSMLTTWVTJ-OAHLLOKOSA-N 2 1 289.467 3.774 20 0 CHADMP Cc1c(F)cccc1C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171622277 1132066636 /nfs/dbraw/zinc/06/66/36/1132066636.db2.gz ZBBHUFSKCRCDIA-UHFFFAOYSA-N 2 1 292.442 3.875 20 0 CHADMP C[NH+]1C(C)(C)CC([NH2+]C(C)(C)c2ccccn2)CC1(C)C ZINC001171624266 1132067568 /nfs/dbraw/zinc/06/75/68/1132067568.db2.gz NHJQUJQFZJYUNZ-UHFFFAOYSA-N 2 1 289.467 3.558 20 0 CHADMP CC1(C)C[C@H]([NH2+]C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171962366 1132113489 /nfs/dbraw/zinc/11/34/89/1132113489.db2.gz CPUHRKITOKVOIM-GOSISDBHSA-N 2 1 286.463 3.962 20 0 CHADMP C[C@@H]1CC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172070400 1132121429 /nfs/dbraw/zinc/12/14/29/1132121429.db2.gz ZNTOODNQLPJTFK-YSHGAJCASA-N 2 1 284.447 3.666 20 0 CHADMP C[C@@H]1CC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172070400 1132121430 /nfs/dbraw/zinc/12/14/30/1132121430.db2.gz ZNTOODNQLPJTFK-YSHGAJCASA-N 2 1 284.447 3.666 20 0 CHADMP C[C@@H]1CC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172070400 1132121436 /nfs/dbraw/zinc/12/14/36/1132121436.db2.gz ZNTOODNQLPJTFK-YSHGAJCASA-N 2 1 284.447 3.666 20 0 CHADMP C[C@@H]1CC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172070400 1132121441 /nfs/dbraw/zinc/12/14/41/1132121441.db2.gz ZNTOODNQLPJTFK-YSHGAJCASA-N 2 1 284.447 3.666 20 0 CHADMP CC(C)[N@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172079515 1132122586 /nfs/dbraw/zinc/12/25/86/1132122586.db2.gz ORYPUGBBHJSJQG-REPLKXPHSA-N 2 1 286.463 3.912 20 0 CHADMP CC(C)[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172079515 1132122589 /nfs/dbraw/zinc/12/25/89/1132122589.db2.gz ORYPUGBBHJSJQG-REPLKXPHSA-N 2 1 286.463 3.912 20 0 CHADMP CC(C)[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172079515 1132122595 /nfs/dbraw/zinc/12/25/95/1132122595.db2.gz ORYPUGBBHJSJQG-REPLKXPHSA-N 2 1 286.463 3.912 20 0 CHADMP CC(C)[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172079515 1132122599 /nfs/dbraw/zinc/12/25/99/1132122599.db2.gz ORYPUGBBHJSJQG-REPLKXPHSA-N 2 1 286.463 3.912 20 0 CHADMP C[C@@H]1C[C@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172061438 1132125344 /nfs/dbraw/zinc/12/53/44/1132125344.db2.gz HFFCJWOIHJGZHJ-MTEHYEEQSA-N 2 1 298.474 3.818 20 0 CHADMP CC(C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172068226 1132126138 /nfs/dbraw/zinc/12/61/38/1132126138.db2.gz PSBZHCJRLVDIKJ-NNZMDNLPSA-N 2 1 272.436 3.570 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(C(F)F)cc1)C2 ZINC001172099561 1132126424 /nfs/dbraw/zinc/12/64/24/1132126424.db2.gz LBZXOENRMUCETF-PHZGNYQRSA-N 2 1 294.389 3.729 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC=C(c3ccccc3)CC1)C2 ZINC001172128340 1132128020 /nfs/dbraw/zinc/12/80/20/1132128020.db2.gz RFWPLAIRIBGMQY-ACDBMABISA-N 2 1 296.458 3.791 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC=C(c3ccccc3)CC1)C2 ZINC001172128340 1132128023 /nfs/dbraw/zinc/12/80/23/1132128023.db2.gz RFWPLAIRIBGMQY-ACDBMABISA-N 2 1 296.458 3.791 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC=C(c3ccccc3)CC1)C2 ZINC001172128340 1132128028 /nfs/dbraw/zinc/12/80/28/1132128028.db2.gz RFWPLAIRIBGMQY-ACDBMABISA-N 2 1 296.458 3.791 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC=C(c3ccccc3)CC1)C2 ZINC001172128340 1132128030 /nfs/dbraw/zinc/12/80/30/1132128030.db2.gz RFWPLAIRIBGMQY-ACDBMABISA-N 2 1 296.458 3.791 20 0 CHADMP Cc1cccc(C2([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCC2)c1 ZINC001172110666 1132128855 /nfs/dbraw/zinc/12/88/55/1132128855.db2.gz LFYPRZRSEQKHAB-LDLYASANSA-N 2 1 298.474 3.979 20 0 CHADMP Cc1cccc(C2([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCC2)c1 ZINC001172110666 1132128862 /nfs/dbraw/zinc/12/88/62/1132128862.db2.gz LFYPRZRSEQKHAB-LDLYASANSA-N 2 1 298.474 3.979 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)C2 ZINC001172108455 1132129741 /nfs/dbraw/zinc/12/97/41/1132129741.db2.gz AKHAKEPJRWKQHM-UHZRXMQZSA-N 2 1 298.474 3.928 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)C2 ZINC001172108455 1132129744 /nfs/dbraw/zinc/12/97/44/1132129744.db2.gz AKHAKEPJRWKQHM-UHZRXMQZSA-N 2 1 298.474 3.928 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc3ccccc3o1)C2 ZINC001172104671 1132129966 /nfs/dbraw/zinc/12/99/66/1132129966.db2.gz DZRZQPXQSYLGTQ-MUJYYYPQSA-N 2 1 284.403 3.538 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)CC(C)(C)C)C2 ZINC001172106570 1132130973 /nfs/dbraw/zinc/13/09/73/1132130973.db2.gz QGQLOTMYZNACBL-QDMKHBRRSA-N 2 1 266.473 3.806 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)CC(C)(C)C)C2 ZINC001172106570 1132130976 /nfs/dbraw/zinc/13/09/76/1132130976.db2.gz QGQLOTMYZNACBL-QDMKHBRRSA-N 2 1 266.473 3.806 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCc3ccccc3CC1)C2 ZINC001172113308 1132132901 /nfs/dbraw/zinc/13/29/01/1132132901.db2.gz IFEHVGCYFBEDHW-ACDBMABISA-N 2 1 298.474 3.539 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCc3ccccc3CC1)C2 ZINC001172113308 1132132905 /nfs/dbraw/zinc/13/29/05/1132132905.db2.gz IFEHVGCYFBEDHW-ACDBMABISA-N 2 1 298.474 3.539 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1sccc1Cl)C2 ZINC001172113462 1132133211 /nfs/dbraw/zinc/13/32/11/1132133211.db2.gz HIMOSDYNRVSLGM-ZSBIGDGJSA-N 2 1 284.856 3.506 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1sccc1Cl)C2 ZINC001172113462 1132133214 /nfs/dbraw/zinc/13/32/14/1132133214.db2.gz HIMOSDYNRVSLGM-ZSBIGDGJSA-N 2 1 284.856 3.506 20 0 CHADMP Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172119181 1132134068 /nfs/dbraw/zinc/13/40/68/1132134068.db2.gz VUIGMDBTWWFRGC-FJIDUMEYSA-N 2 1 286.463 3.969 20 0 CHADMP Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172119181 1132134071 /nfs/dbraw/zinc/13/40/71/1132134071.db2.gz VUIGMDBTWWFRGC-FJIDUMEYSA-N 2 1 286.463 3.969 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H](c3ccccc3)C1)C2 ZINC001172121449 1132136370 /nfs/dbraw/zinc/13/63/70/1132136370.db2.gz JOVXCYCQVDPREE-ZRNYENFQSA-N 2 1 298.474 3.881 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H](c3ccccc3)C1)C2 ZINC001172121449 1132136373 /nfs/dbraw/zinc/13/63/73/1132136373.db2.gz JOVXCYCQVDPREE-ZRNYENFQSA-N 2 1 298.474 3.881 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](c3ccccc3)C1)C2 ZINC001172121449 1132136377 /nfs/dbraw/zinc/13/63/77/1132136377.db2.gz JOVXCYCQVDPREE-ZRNYENFQSA-N 2 1 298.474 3.881 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](c3ccccc3)C1)C2 ZINC001172121449 1132136380 /nfs/dbraw/zinc/13/63/80/1132136380.db2.gz JOVXCYCQVDPREE-ZRNYENFQSA-N 2 1 298.474 3.881 20 0 CHADMP C[C@@H]1CC[C@@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H]1C ZINC001172366993 1132192174 /nfs/dbraw/zinc/19/21/74/1132192174.db2.gz FAUZZIQDJZXELA-WTNVTLLGSA-N 2 1 278.484 3.793 20 0 CHADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172560818 1132268813 /nfs/dbraw/zinc/26/88/13/1132268813.db2.gz LGPBHJRDBNYVLH-MOPGFXCFSA-N 2 1 286.463 3.596 20 0 CHADMP CC[N@@H+](C)C1CC[NH+]([C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172565560 1132269698 /nfs/dbraw/zinc/26/96/98/1132269698.db2.gz KIVSUZULZBWBGP-MJGOQNOKSA-N 2 1 286.463 3.739 20 0 CHADMP CCCC[N@H+](CC)CC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC001172709140 1132308275 /nfs/dbraw/zinc/30/82/75/1132308275.db2.gz SPHHBGGICYHZGB-KRWDZBQOSA-N 2 1 294.870 3.519 20 0 CHADMP CCCC[N@@H+](CC)CC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC001172709140 1132308278 /nfs/dbraw/zinc/30/82/78/1132308278.db2.gz SPHHBGGICYHZGB-KRWDZBQOSA-N 2 1 294.870 3.519 20 0 CHADMP C[NH+](C)CCC[N@H+](C)Cc1cccc(-c2ccccc2)c1 ZINC001231509200 1132309631 /nfs/dbraw/zinc/30/96/31/1132309631.db2.gz VUQQTAAGIYULLD-UHFFFAOYSA-N 2 1 282.431 3.737 20 0 CHADMP C[NH+](C)CCC[N@@H+](C)Cc1cccc(-c2ccccc2)c1 ZINC001231509200 1132309639 /nfs/dbraw/zinc/30/96/39/1132309639.db2.gz VUQQTAAGIYULLD-UHFFFAOYSA-N 2 1 282.431 3.737 20 0 CHADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCC[C@@H](OC)C1 ZINC001172927952 1132363878 /nfs/dbraw/zinc/36/38/78/1132363878.db2.gz HSYKUOLJRIWXOF-LEUOFYLZSA-N 2 1 296.499 3.705 20 0 CHADMP CO[C@H]1CCC[C@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172928250 1132365057 /nfs/dbraw/zinc/36/50/57/1132365057.db2.gz JNUUNOUXCUEVOH-QAETUUGQSA-N 2 1 296.499 3.562 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1c(C)ccc2ccccc21 ZINC001142387845 1132381438 /nfs/dbraw/zinc/38/14/38/1132381438.db2.gz IDRQOYKDWBKFEV-UHFFFAOYSA-N 2 1 284.447 3.922 20 0 CHADMP CCCOC1CCC([N@H+]2CCCC[C@H](CCC[NH3+])C2)CC1 ZINC001173095713 1132385670 /nfs/dbraw/zinc/38/56/70/1132385670.db2.gz DZYRMSZXCJCNND-WWDZGPRUSA-N 2 1 296.499 3.565 20 0 CHADMP CC[NH+](CC)C1CCC([N@@H+]2CC[C@H](C)C(F)(F)C2)CC1 ZINC001173110307 1132394799 /nfs/dbraw/zinc/39/47/99/1132394799.db2.gz RKBURBRYWAUVLY-NFOMZHRRSA-N 2 1 288.426 3.617 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](C)C(F)(F)C2)CC1 ZINC001173110307 1132394805 /nfs/dbraw/zinc/39/48/05/1132394805.db2.gz RKBURBRYWAUVLY-NFOMZHRRSA-N 2 1 288.426 3.617 20 0 CHADMP CC[NH+](CC)C1CCC([N@@H+](CC)Cc2ccccn2)CC1 ZINC001173115189 1132395535 /nfs/dbraw/zinc/39/55/35/1132395535.db2.gz YHTDZMRRAPKWIG-UHFFFAOYSA-N 2 1 289.467 3.557 20 0 CHADMP CC[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1ccc(OC)cc1 ZINC001232016796 1132409918 /nfs/dbraw/zinc/40/99/18/1132409918.db2.gz HVUHOOOSKUXLMX-UHFFFAOYSA-N 2 1 295.386 3.594 20 0 CHADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC001232013783 1132410637 /nfs/dbraw/zinc/41/06/37/1132410637.db2.gz FMZXVLMJBOWXLT-SFHVURJKSA-N 2 1 277.371 3.900 20 0 CHADMP C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232016595 1132411255 /nfs/dbraw/zinc/41/12/55/1132411255.db2.gz DGIXTKDFPOOTBZ-CYBMUJFWSA-N 2 1 277.371 3.510 20 0 CHADMP C[N@H+](Cc1cc2c[nH+]ccc2[nH]1)CC1CCCCC1 ZINC001232016386 1132411542 /nfs/dbraw/zinc/41/15/42/1132411542.db2.gz WQNFGACPIACBSG-UHFFFAOYSA-N 2 1 257.381 3.575 20 0 CHADMP C[C@@H](c1cccc2ccccc21)[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842478311 1132433013 /nfs/dbraw/zinc/43/30/13/1132433013.db2.gz NFILKMFOMSJSPX-KXBFYZLASA-N 2 1 280.415 3.729 20 0 CHADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842478311 1132433016 /nfs/dbraw/zinc/43/30/16/1132433016.db2.gz NFILKMFOMSJSPX-KXBFYZLASA-N 2 1 280.415 3.729 20 0 CHADMP [NH3+]CCCCCCC[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000842471492 1132433723 /nfs/dbraw/zinc/43/37/23/1132433723.db2.gz FAOQTOGEGKALGS-QGZVFWFLSA-N 2 1 292.492 3.686 20 0 CHADMP CC[C@H]1CC[C@@H]([N@@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173272537 1132437292 /nfs/dbraw/zinc/43/72/92/1132437292.db2.gz VQSWWLWDTKWKBR-YHUYYLMFSA-N 2 1 252.446 3.545 20 0 CHADMP CC[C@H]1CC[C@H]([NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)C1 ZINC001173276534 1132452280 /nfs/dbraw/zinc/45/22/80/1132452280.db2.gz IRLDXYIZCBIUIP-HOTGVXAUSA-N 2 1 287.451 3.508 20 0 CHADMP C[NH+](C)CCC[N@@H+](C)[C@H]1CCCC2(CCCCC2)C1 ZINC001173346432 1132471256 /nfs/dbraw/zinc/47/12/56/1132471256.db2.gz LYAXGDBBXRUNPR-INIZCTEOSA-N 2 1 266.473 3.763 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2CCCC3(CCCCC3)C2)CC1 ZINC001173350401 1132474244 /nfs/dbraw/zinc/47/42/44/1132474244.db2.gz WRTPIQPDZOINTJ-KRWDZBQOSA-N 2 1 278.484 3.953 20 0 CHADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CCCC4(CCCCC4)C3)C2)C1 ZINC001173350455 1132474766 /nfs/dbraw/zinc/47/47/66/1132474766.db2.gz VZSFDGVRTFCHBO-IEBWSBKVSA-N 2 1 290.495 3.907 20 0 CHADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CCCC4(CCCCC4)C3)C2)C1 ZINC001173350455 1132474771 /nfs/dbraw/zinc/47/47/71/1132474771.db2.gz VZSFDGVRTFCHBO-IEBWSBKVSA-N 2 1 290.495 3.907 20 0 CHADMP CN1CCC[C@@H]2C[N@H+]([C@H]3CCCC4(CCCCC4)C3)C[C@@H]21 ZINC001173349144 1132474959 /nfs/dbraw/zinc/47/49/59/1132474959.db2.gz NOOAMLRSLHNQRU-SQNIBIBYSA-N 2 1 290.495 3.906 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC3(CCCCC3)C2)C1 ZINC001173350936 1132475987 /nfs/dbraw/zinc/47/59/87/1132475987.db2.gz YOVLJBUGDPBNJU-SJORKVTESA-N 2 1 278.484 3.811 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CCCC[C@H](C[NH3+])C3)cc2)o1 ZINC001206632703 1132550239 /nfs/dbraw/zinc/55/02/39/1132550239.db2.gz OCAIPPDHUIWMRE-QGZVFWFLSA-N 2 1 298.430 3.816 20 0 CHADMP CC(C)Oc1cc[nH+]c(NCCC[N@H+]2CCCC[C@H]2C)c1 ZINC001156929441 1132716602 /nfs/dbraw/zinc/71/66/02/1132716602.db2.gz WTLWDQUUFSWCJL-OAHLLOKOSA-N 2 1 291.439 3.545 20 0 CHADMP Cc1ccc(C)c(Nc2ccc([C@H]3CCC[NH2+]3)cc2)[nH+]1 ZINC001159230779 1132818316 /nfs/dbraw/zinc/81/83/16/1132818316.db2.gz WMINVMNQFZZCAV-MRXNPFEDSA-N 2 1 267.376 3.867 20 0 CHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC2=C[NH2+]CCC2)c1 ZINC001159553937 1132862663 /nfs/dbraw/zinc/86/26/63/1132862663.db2.gz WJUXVQAJNXAEPI-UHFFFAOYSA-N 2 1 296.418 3.692 20 0 CHADMP c1[nH]c2ccc(Nc3cccc(C4CC[NH2+]CC4)c3)cc2[nH+]1 ZINC001159758142 1132903949 /nfs/dbraw/zinc/90/39/49/1132903949.db2.gz XCDLBAHFGUSBCR-UHFFFAOYSA-N 2 1 292.386 3.774 20 0 CHADMP CC[NH+](CC)c1ccc(Nc2ccc3c(c2)C[C@H]([NH3+])C3)cc1 ZINC001159833316 1132915021 /nfs/dbraw/zinc/91/50/21/1132915021.db2.gz VFGQXMXROGOEJX-MRXNPFEDSA-N 2 1 295.430 3.702 20 0 CHADMP Cc1c[nH+]c(NCC2CC[NH+](CC3CCC3)CC2)c(C)c1 ZINC001161232906 1132995576 /nfs/dbraw/zinc/99/55/76/1132995576.db2.gz DQHSYYUFKQYGGM-UHFFFAOYSA-N 2 1 287.451 3.622 20 0 CHADMP CCCCNc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001162204270 1133059306 /nfs/dbraw/zinc/05/93/06/1133059306.db2.gz WYGOMGOXFZWUPR-OAHLLOKOSA-N 2 1 286.423 3.563 20 0 CHADMP Cc1ccc2c(C)cc(N[C@@H]3CCC[C@@H]([NH3+])C3)[nH+]c2c1 ZINC001162396369 1133074097 /nfs/dbraw/zinc/07/40/97/1133074097.db2.gz ZAHIRQIJFMRWAZ-ZIAGYGMSSA-N 2 1 269.392 3.533 20 0 CHADMP Cc1ccc2cc(NC[C@H]3CCC[NH2+]C[C@H]3C)[nH+]cc2c1 ZINC001162453162 1133079172 /nfs/dbraw/zinc/07/91/72/1133079172.db2.gz JCPGMNJCLHFBFC-GDBMZVCRSA-N 2 1 283.419 3.591 20 0 CHADMP Cc1cc[nH+]c2cc(NC[C@@H]3CCC[NH2+]C[C@@H]3C)ccc12 ZINC001162465199 1133079912 /nfs/dbraw/zinc/07/99/12/1133079912.db2.gz DOXIGYPUMLMTCN-GJZGRUSLSA-N 2 1 283.419 3.591 20 0 CHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001203921640 1133384560 /nfs/dbraw/zinc/38/45/60/1133384560.db2.gz XBRLNVVOQGIIIW-UHFFFAOYSA-N 2 1 294.870 3.892 20 0 CHADMP Cc1ccsc1C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001204022253 1133399356 /nfs/dbraw/zinc/39/93/56/1133399356.db2.gz WBXWDPKLJALQAH-UHFFFAOYSA-N 2 1 280.481 3.609 20 0 CHADMP CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC001204155528 1133412608 /nfs/dbraw/zinc/41/26/08/1133412608.db2.gz XOGADJHHANZBSU-YJBOKZPZSA-N 2 1 298.434 3.668 20 0 CHADMP CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC001204155528 1133412610 /nfs/dbraw/zinc/41/26/10/1133412610.db2.gz XOGADJHHANZBSU-YJBOKZPZSA-N 2 1 298.434 3.668 20 0 CHADMP CCCC[N@@H+](CC)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204267532 1133427476 /nfs/dbraw/zinc/42/74/76/1133427476.db2.gz UNYRWNKJCYTHCJ-UHFFFAOYSA-N 2 1 292.467 3.639 20 0 CHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001204598800 1133465749 /nfs/dbraw/zinc/46/57/49/1133465749.db2.gz POBSHTYSPUGYJT-GASCZTMLSA-N 2 1 297.446 3.507 20 0 CHADMP CC(C)c1cccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204741937 1133480468 /nfs/dbraw/zinc/48/04/68/1133480468.db2.gz GBZVGVVBMGEWKA-UHFFFAOYSA-N 2 1 286.463 3.776 20 0 CHADMP C[N@@H+](CCCCC[NH3+])Cc1ccc(Cl)cc1Cl ZINC001204869552 1133493981 /nfs/dbraw/zinc/49/39/81/1133493981.db2.gz CMDSRTYGFLJZEX-UHFFFAOYSA-N 2 1 275.223 3.554 20 0 CHADMP CC(C)[NH2+]C1CC[NH+]([C@@H](C)c2nccc3ccccc32)CC1 ZINC001204915823 1133499083 /nfs/dbraw/zinc/49/90/83/1133499083.db2.gz MIBZLCUZBBGWNF-HNNXBMFYSA-N 2 1 297.446 3.758 20 0 CHADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccccc2Oc2ccccc2)CC1 ZINC001205101232 1133529729 /nfs/dbraw/zinc/52/97/29/1133529729.db2.gz BUDHLMQGDCOFMM-QGZVFWFLSA-N 2 1 296.414 3.792 20 0 CHADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc3oc4ccccc4c3c2)CC1 ZINC001205101229 1133530499 /nfs/dbraw/zinc/53/04/99/1133530499.db2.gz BUAOKXROHNIQBK-HNNXBMFYSA-N 2 1 294.398 3.899 20 0 CHADMP Cc1c(C)c(C)c(C[N@H+]2CCC[C@H]([NH3+])CC2)c(C)c1C ZINC001205110057 1133531234 /nfs/dbraw/zinc/53/12/34/1133531234.db2.gz NSDUUBHMMANSQE-KRWDZBQOSA-N 2 1 274.452 3.542 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccc(Oc3ccccc3)cc2)C[C@H]1C[NH3+] ZINC001205131362 1133534612 /nfs/dbraw/zinc/53/46/12/1133534612.db2.gz VWZNSBFOJOPXNG-DOTOQJQBSA-N 2 1 296.414 3.506 20 0 CHADMP C[C@H]1C[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)Cc2ccccc21 ZINC001205164424 1133539799 /nfs/dbraw/zinc/53/97/99/1133539799.db2.gz FSAZPDRAHTUUKX-ZDUSSCGKSA-N 2 1 298.455 3.513 20 0 CHADMP CC1(C[N@H+]2CCCC[C@H]2c2ccccc2)CC[NH2+]CC1 ZINC001205171185 1133540435 /nfs/dbraw/zinc/54/04/35/1133540435.db2.gz LTGXGYSNLIGGDB-KRWDZBQOSA-N 2 1 272.436 3.603 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c2ccccc12 ZINC001205304329 1133556746 /nfs/dbraw/zinc/55/67/46/1133556746.db2.gz NUWMCCKRMYELIE-RHSMWYFYSA-N 2 1 282.431 3.565 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2-c2ccccc2)C[C@@H]1C[NH3+] ZINC001205304287 1133557367 /nfs/dbraw/zinc/55/73/67/1133557367.db2.gz NOFZICZJGRHSNA-APWZRJJASA-N 2 1 294.442 3.770 20 0 CHADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1cccc2c3ccccc3oc21 ZINC001205324911 1133561314 /nfs/dbraw/zinc/56/13/14/1133561314.db2.gz HVADZYKSWBDVRB-AWEZNQCLSA-N 2 1 294.398 3.770 20 0 CHADMP C([NH2+][C@@H]1CC[C@@H]1C1CCC1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001205554304 1133587111 /nfs/dbraw/zinc/58/71/11/1133587111.db2.gz CJLLMLFFWSVOMJ-GUDVDZBRSA-N 2 1 290.495 3.952 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H](C)[NH+](CC)CC ZINC001205639591 1133597579 /nfs/dbraw/zinc/59/75/79/1133597579.db2.gz FFFIYUWRPZDCFH-BZUAXINKSA-N 2 1 254.462 3.523 20 0 CHADMP Cc1c(Cl)ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1F ZINC001205651729 1133600400 /nfs/dbraw/zinc/60/04/00/1133600400.db2.gz IREUYLWGJYZCIL-AAEUAGOBSA-N 2 1 298.833 3.594 20 0 CHADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@H](C)c1ccc(C)cc1 ZINC001205693258 1133603318 /nfs/dbraw/zinc/60/33/18/1133603318.db2.gz SOMWXLPNFBVNTQ-SFHVURJKSA-N 2 1 288.479 3.906 20 0 CHADMP CC(C)C[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]C2 ZINC001205922911 1133631318 /nfs/dbraw/zinc/63/13/18/1133631318.db2.gz DFZUWJONLHVODE-UHFFFAOYSA-N 2 1 294.442 3.948 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205985149 1133638194 /nfs/dbraw/zinc/63/81/94/1133638194.db2.gz WFJWIJRIIXJOMK-ULQDDVLXSA-N 2 1 266.473 3.676 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(F)cc1Cl ZINC001206027278 1133644462 /nfs/dbraw/zinc/64/44/62/1133644462.db2.gz VRVMXNSBHWCDBK-CHWSQXEVSA-N 2 1 298.833 3.594 20 0 CHADMP Cc1cc(F)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1Cl ZINC001206037397 1133645940 /nfs/dbraw/zinc/64/59/40/1133645940.db2.gz VJWVJCDEESXHOF-CHWSQXEVSA-N 2 1 298.833 3.594 20 0 CHADMP CC(C)=CCCC1=CC[C@H](C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC001206053218 1133650275 /nfs/dbraw/zinc/65/02/75/1133650275.db2.gz NSZMWWQBSUMOJK-BPQIPLTHSA-N 2 1 276.468 3.738 20 0 CHADMP CC(C)C[C@H]1CCC[C@@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C1 ZINC001206108122 1133658491 /nfs/dbraw/zinc/65/84/91/1133658491.db2.gz ATRWMYGMKIZRPZ-GVDBMIGSSA-N 2 1 268.489 3.910 20 0 CHADMP CC(C)C[C@H]1CCC[C@@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC001206108122 1133658492 /nfs/dbraw/zinc/65/84/92/1133658492.db2.gz ATRWMYGMKIZRPZ-GVDBMIGSSA-N 2 1 268.489 3.910 20 0 CHADMP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001206214944 1133670751 /nfs/dbraw/zinc/67/07/51/1133670751.db2.gz HUBVSFXXBQTSEA-BZSNNMDCSA-N 2 1 280.500 3.913 20 0 CHADMP CCC[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)[C@@H]1CC1(C)C ZINC001206537764 1133716039 /nfs/dbraw/zinc/71/60/39/1133716039.db2.gz NSUSTXDBJLSSHK-HOTGVXAUSA-N 2 1 268.489 3.769 20 0 CHADMP CC(C)c1ccccc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206564886 1133718073 /nfs/dbraw/zinc/71/80/73/1133718073.db2.gz QXAKRMVJESLGST-GOSISDBHSA-N 2 1 274.452 3.761 20 0 CHADMP CSc1cc(C)cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206574151 1133721176 /nfs/dbraw/zinc/72/11/76/1133721176.db2.gz PRHJTYBJLYFAJO-QGZVFWFLSA-N 2 1 292.492 3.668 20 0 CHADMP CC(C)[N@@H+](CCCc1ccccc1F)[C@@H]1CCC[NH2+]CC1 ZINC001206580116 1133722171 /nfs/dbraw/zinc/72/21/71/1133722171.db2.gz CIHZKMYJPPIHRD-QGZVFWFLSA-N 2 1 292.442 3.611 20 0 CHADMP CC(C)[N@@H+](CC1(C)CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC001206580069 1133722591 /nfs/dbraw/zinc/72/25/91/1133722591.db2.gz BXWFGMSHJKGTNI-INIZCTEOSA-N 2 1 266.473 3.809 20 0 CHADMP CC(C)[N@@H+](Cc1cn(C)c2ccccc12)[C@@H]1CCC[NH2+]CC1 ZINC001206580600 1133722608 /nfs/dbraw/zinc/72/26/08/1133722608.db2.gz GCDQBVBPZTWTIM-QGZVFWFLSA-N 2 1 299.462 3.531 20 0 CHADMP CCCCc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1 ZINC001206769381 1133746134 /nfs/dbraw/zinc/74/61/34/1133746134.db2.gz OXNNFGIHVSDIRQ-QAPCUYQASA-N 2 1 274.452 3.588 20 0 CHADMP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c2ccccc12 ZINC001206768670 1133746209 /nfs/dbraw/zinc/74/62/09/1133746209.db2.gz LHUYMGFNGGYJLH-HZPDHXFCSA-N 2 1 282.431 3.707 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206767895 1133746218 /nfs/dbraw/zinc/74/62/18/1133746218.db2.gz FYFUAASNSFGZHF-OCCSQVGLSA-N 2 1 288.460 3.769 20 0 CHADMP CC(C)CCCC[N@H+]1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC001206799414 1133749955 /nfs/dbraw/zinc/74/99/55/1133749955.db2.gz FKKIMTDRCIHWFP-IRXDYDNUSA-N 2 1 268.489 3.865 20 0 CHADMP FC(F)(F)CCC[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001207184841 1133776633 /nfs/dbraw/zinc/77/66/33/1133776633.db2.gz MHAIUNJWUGHDDV-CQSZACIVSA-N 2 1 292.389 3.716 20 0 CHADMP FC(F)(F)CCC[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001207184841 1133776635 /nfs/dbraw/zinc/77/66/35/1133776635.db2.gz MHAIUNJWUGHDDV-CQSZACIVSA-N 2 1 292.389 3.716 20 0 CHADMP CC[NH+]1CCC([N@H+](C)CC[C@@H]2CC=C(C)C2(C)C)CC1 ZINC001207278183 1133786397 /nfs/dbraw/zinc/78/63/97/1133786397.db2.gz AOHGTUOWETYPPE-INIZCTEOSA-N 2 1 278.484 3.785 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)CC[C@@H]2CC=C(C)C2(C)C)CC1 ZINC001207278183 1133786403 /nfs/dbraw/zinc/78/64/03/1133786403.db2.gz AOHGTUOWETYPPE-INIZCTEOSA-N 2 1 278.484 3.785 20 0 CHADMP C[NH+]1CCC(CC[N@H+]2CCC[C@H](c3ccccc3)C2)CC1 ZINC001207485334 1133805467 /nfs/dbraw/zinc/80/54/67/1133805467.db2.gz UWNWJIXYFJRKCC-IBGZPJMESA-N 2 1 286.463 3.598 20 0 CHADMP C[NH+]1CCC(CC[N@@H+](Cc2ccccc2)C2CCC2)CC1 ZINC001207488029 1133806468 /nfs/dbraw/zinc/80/64/68/1133806468.db2.gz CLSLRDQXWKZGAD-UHFFFAOYSA-N 2 1 286.463 3.773 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)CCc2cccc(C)c2)CC1 ZINC001207554869 1133819760 /nfs/dbraw/zinc/81/97/60/1133819760.db2.gz QKDCHAYSAABSMO-UHFFFAOYSA-N 2 1 288.479 3.734 20 0 CHADMP CCN1CCC([N@@H+](C)CCCc2cccc(Cl)c2)CC1 ZINC001207590464 1133824223 /nfs/dbraw/zinc/82/42/23/1133824223.db2.gz MHSRXYDHCNJRIM-UHFFFAOYSA-N 2 1 294.870 3.689 20 0 CHADMP CC[NH+]1CCC([N@H+](C)CCCc2cccc(Cl)c2)CC1 ZINC001207590464 1133824229 /nfs/dbraw/zinc/82/42/29/1133824229.db2.gz MHSRXYDHCNJRIM-UHFFFAOYSA-N 2 1 294.870 3.689 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)CCCc2cccc(Cl)c2)CC1 ZINC001207590464 1133824238 /nfs/dbraw/zinc/82/42/38/1133824238.db2.gz MHSRXYDHCNJRIM-UHFFFAOYSA-N 2 1 294.870 3.689 20 0 CHADMP C[N@@H+](CCc1cccc(Cl)c1)CC1(C)CC[NH+](C)CC1 ZINC001208114165 1133879542 /nfs/dbraw/zinc/87/95/42/1133879542.db2.gz SWDDECGSVIAJBR-UHFFFAOYSA-N 2 1 294.870 3.546 20 0 CHADMP C[NH+](C)CC1(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)CCCC1 ZINC001208187189 1133902393 /nfs/dbraw/zinc/90/23/93/1133902393.db2.gz ILNYKMYGBLPVIR-IAGOWNOFSA-N 2 1 278.484 3.621 20 0 CHADMP C[NH+](C)CC1(C[N@H+]2CC[C@@H]2c2ccccc2)CCCC1 ZINC001208186122 1133902945 /nfs/dbraw/zinc/90/29/45/1133902945.db2.gz MTTJYCWZKVSDPU-QGZVFWFLSA-N 2 1 272.436 3.555 20 0 CHADMP C[NH+](C)CC1(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)CCCC1 ZINC001208185677 1133903273 /nfs/dbraw/zinc/90/32/73/1133903273.db2.gz HOOJKBFXVTVCPT-DLBZAZTESA-N 2 1 278.484 3.763 20 0 CHADMP COC(C)(C)CCC[C@@H](C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001208201516 1133906521 /nfs/dbraw/zinc/90/65/21/1133906521.db2.gz FNMYDFYAHYYORK-MRXNPFEDSA-N 2 1 298.515 3.634 20 0 CHADMP COC(C)(C)CCC[C@@H](C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001208201516 1133906526 /nfs/dbraw/zinc/90/65/26/1133906526.db2.gz FNMYDFYAHYYORK-MRXNPFEDSA-N 2 1 298.515 3.634 20 0 CHADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H]2c2ccccc2C)CC1 ZINC001208596221 1133919097 /nfs/dbraw/zinc/91/90/97/1133919097.db2.gz GXYMEMVDJWUJNT-LJQANCHMSA-N 2 1 286.463 3.864 20 0 CHADMP C[N@@H+]1CCC[C@@H](C[NH+](Cc2ccccc2)C(C)(C)C)C1 ZINC001208604530 1133919141 /nfs/dbraw/zinc/91/91/41/1133919141.db2.gz QAISJIKQZMHUKP-QGZVFWFLSA-N 2 1 274.452 3.629 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH+](Cc2ccccc2)C(C)(C)C)C1 ZINC001208604530 1133919146 /nfs/dbraw/zinc/91/91/46/1133919146.db2.gz QAISJIKQZMHUKP-QGZVFWFLSA-N 2 1 274.452 3.629 20 0 CHADMP C[NH+]1CCC[C@@H](C[N@H+](Cc2ccccc2)C(C)(C)C)C1 ZINC001208604530 1133919149 /nfs/dbraw/zinc/91/91/49/1133919149.db2.gz QAISJIKQZMHUKP-QGZVFWFLSA-N 2 1 274.452 3.629 20 0 CHADMP C[NH+]1CCC[C@@H](C[N@@H+](Cc2ccccc2)C(C)(C)C)C1 ZINC001208604530 1133919151 /nfs/dbraw/zinc/91/91/51/1133919151.db2.gz QAISJIKQZMHUKP-QGZVFWFLSA-N 2 1 274.452 3.629 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC001208694513 1133928907 /nfs/dbraw/zinc/92/89/07/1133928907.db2.gz RCXQCCOOIGHZCV-ZWKOTPCHSA-N 2 1 278.484 3.906 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1CCC1CCCC1 ZINC001208694513 1133928909 /nfs/dbraw/zinc/92/89/09/1133928909.db2.gz RCXQCCOOIGHZCV-ZWKOTPCHSA-N 2 1 278.484 3.906 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCC[C@H]4CCC[C@H]43)C2)cc1 ZINC001208954600 1133965353 /nfs/dbraw/zinc/96/53/53/1133965353.db2.gz WOKKQFIIROXDGB-XUVXKRRUSA-N 2 1 298.474 3.773 20 0 CHADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CCC[C@H]4CCC[C@H]43)C2)cc1 ZINC001208954600 1133965357 /nfs/dbraw/zinc/96/53/57/1133965357.db2.gz WOKKQFIIROXDGB-XUVXKRRUSA-N 2 1 298.474 3.773 20 0 CHADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CCC[C@H]4CCC[C@H]43)C2)cc1 ZINC001208954600 1133965363 /nfs/dbraw/zinc/96/53/63/1133965363.db2.gz WOKKQFIIROXDGB-XUVXKRRUSA-N 2 1 298.474 3.773 20 0 CHADMP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCC34CC4)C2)cc1 ZINC001208939987 1133965978 /nfs/dbraw/zinc/96/59/78/1133965978.db2.gz MYZYPAGZCNMICF-LJQANCHMSA-N 2 1 298.474 3.917 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCC34CC4)C2)cc1 ZINC001208939987 1133965982 /nfs/dbraw/zinc/96/59/82/1133965982.db2.gz MYZYPAGZCNMICF-LJQANCHMSA-N 2 1 298.474 3.917 20 0 CHADMP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCCC34CC4)C2)cc1 ZINC001208939987 1133965986 /nfs/dbraw/zinc/96/59/86/1133965986.db2.gz MYZYPAGZCNMICF-LJQANCHMSA-N 2 1 298.474 3.917 20 0 CHADMP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCCC34CC4)C2)cc1 ZINC001208939987 1133965989 /nfs/dbraw/zinc/96/59/89/1133965989.db2.gz MYZYPAGZCNMICF-LJQANCHMSA-N 2 1 298.474 3.917 20 0 CHADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H]1C ZINC001208951106 1133966949 /nfs/dbraw/zinc/96/69/49/1133966949.db2.gz YPKHQCALBAANDQ-ZIFCJYIRSA-N 2 1 286.463 3.629 20 0 CHADMP C[C@@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1C ZINC001208951106 1133966952 /nfs/dbraw/zinc/96/69/52/1133966952.db2.gz YPKHQCALBAANDQ-ZIFCJYIRSA-N 2 1 286.463 3.629 20 0 CHADMP C[C@@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1C ZINC001208951106 1133966958 /nfs/dbraw/zinc/96/69/58/1133966958.db2.gz YPKHQCALBAANDQ-ZIFCJYIRSA-N 2 1 286.463 3.629 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3C[C@H]4CCC[C@@H]4C3)C2)cc1 ZINC001208933159 1133967617 /nfs/dbraw/zinc/96/76/17/1133967617.db2.gz UCYBXQLZCOWFJF-XUVXKRRUSA-N 2 1 298.474 3.631 20 0 CHADMP CC[C@H]1CCCC[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208952801 1133967655 /nfs/dbraw/zinc/96/76/55/1133967655.db2.gz LYFNNRCBHHVZKA-OALUTQOASA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@H]1CCCC[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208952801 1133967659 /nfs/dbraw/zinc/96/76/59/1133967659.db2.gz LYFNNRCBHHVZKA-OALUTQOASA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@H]1CCCC[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208952801 1133967664 /nfs/dbraw/zinc/96/76/64/1133967664.db2.gz LYFNNRCBHHVZKA-OALUTQOASA-N 2 1 286.463 3.773 20 0 CHADMP CC(C)[C@H]1CCC[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208956357 1133969773 /nfs/dbraw/zinc/96/97/73/1133969773.db2.gz HGZDIBAEWVDKJW-RTBURBONSA-N 2 1 286.463 3.629 20 0 CHADMP CC(C)[C@H]1CCC[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208956357 1133969775 /nfs/dbraw/zinc/96/97/75/1133969775.db2.gz HGZDIBAEWVDKJW-RTBURBONSA-N 2 1 286.463 3.629 20 0 CHADMP CC(C)[C@H]1CCC[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208956357 1133969780 /nfs/dbraw/zinc/96/97/80/1133969780.db2.gz HGZDIBAEWVDKJW-RTBURBONSA-N 2 1 286.463 3.629 20 0 CHADMP C[N@@H+](CCC[NH+]1CCCCC1)Cc1cccc2cccnc21 ZINC001209449162 1134023843 /nfs/dbraw/zinc/02/38/43/1134023843.db2.gz VSZQQVJGFABRGI-UHFFFAOYSA-N 2 1 297.446 3.543 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC001209450960 1134024138 /nfs/dbraw/zinc/02/41/38/1134024138.db2.gz PIJKYKXKVZCEMN-GOSISDBHSA-N 2 1 274.452 3.946 20 0 CHADMP CC[C@@H](c1ccccc1)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC001209450962 1134024466 /nfs/dbraw/zinc/02/44/66/1134024466.db2.gz PIJKYKXKVZCEMN-SFHVURJKSA-N 2 1 274.452 3.946 20 0 CHADMP C[N@H+](CC[NH2+]CC1CCC(C)(C)CC1)C1CCCC1 ZINC000312017679 1135131717 /nfs/dbraw/zinc/13/17/17/1135131717.db2.gz XXIZKKXDNGGJHZ-UHFFFAOYSA-N 2 1 266.473 3.667 20 0 CHADMP C[N@@H+](CC[NH2+]CC1CCC(C)(C)CC1)C1CCCC1 ZINC000312017679 1135131719 /nfs/dbraw/zinc/13/17/19/1135131719.db2.gz XXIZKKXDNGGJHZ-UHFFFAOYSA-N 2 1 266.473 3.667 20 0 CHADMP CC(C)(C)c1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1 ZINC000312843700 1135135764 /nfs/dbraw/zinc/13/57/64/1135135764.db2.gz FNSUBSHHEQSAEW-MRXNPFEDSA-N 2 1 274.452 3.545 20 0 CHADMP c1ccc2cc(C[NH+]3CCC([NH+]4CCCC4)CC3)ccc2c1 ZINC000193865660 1135155834 /nfs/dbraw/zinc/15/58/34/1135155834.db2.gz QACKLPXTOOMZPX-UHFFFAOYSA-N 2 1 294.442 3.900 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C[C@H]1C[NH3+] ZINC000317926506 1135176364 /nfs/dbraw/zinc/17/63/64/1135176364.db2.gz PFMAPLDZXNPKBZ-OXQOHEQNSA-N 2 1 294.442 3.770 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222154190 1135200683 /nfs/dbraw/zinc/20/06/83/1135200683.db2.gz HZUYBZQTOYAOTI-QGZVFWFLSA-N 2 1 292.854 3.532 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222154190 1135200686 /nfs/dbraw/zinc/20/06/86/1135200686.db2.gz HZUYBZQTOYAOTI-QGZVFWFLSA-N 2 1 292.854 3.532 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222191745 1135206007 /nfs/dbraw/zinc/20/60/07/1135206007.db2.gz OQODUXNPNMWFRI-IRXDYDNUSA-N 2 1 264.457 3.587 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222191745 1135206012 /nfs/dbraw/zinc/20/60/12/1135206012.db2.gz OQODUXNPNMWFRI-IRXDYDNUSA-N 2 1 264.457 3.587 20 0 CHADMP C[C@H](C[N@@H+]1CCC[C@]2(CC[NH2+]2)C1)c1cccc2ccccc21 ZINC001222283353 1135217097 /nfs/dbraw/zinc/21/70/97/1135217097.db2.gz XECQQVQLPMOBRU-UZLBHIALSA-N 2 1 294.442 3.771 20 0 CHADMP C[C@H](C[N@H+]1CCC[C@]2(CC[NH2+]2)C1)c1cccc2ccccc21 ZINC001222283353 1135217103 /nfs/dbraw/zinc/21/71/03/1135217103.db2.gz XECQQVQLPMOBRU-UZLBHIALSA-N 2 1 294.442 3.771 20 0 CHADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)CC1 ZINC001222308546 1135221870 /nfs/dbraw/zinc/22/18/70/1135221870.db2.gz JLGWLPCRKPHKLX-RCCFBDPRSA-N 2 1 276.468 3.587 20 0 CHADMP Clc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)s1 ZINC001222310278 1135222525 /nfs/dbraw/zinc/22/25/25/1135222525.db2.gz SPQQNEPJXYFALO-AWEZNQCLSA-N 2 1 284.856 3.510 20 0 CHADMP Clc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)s1 ZINC001222310278 1135222527 /nfs/dbraw/zinc/22/25/27/1135222527.db2.gz SPQQNEPJXYFALO-AWEZNQCLSA-N 2 1 284.856 3.510 20 0 CHADMP Cc1c2ccccc2[nH]c1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222314822 1135223672 /nfs/dbraw/zinc/22/36/72/1135223672.db2.gz IWPFCBQQVNWSBQ-IBGZPJMESA-N 2 1 297.446 3.584 20 0 CHADMP Cc1cccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1Cl ZINC001222320481 1135225520 /nfs/dbraw/zinc/22/55/20/1135225520.db2.gz ICXNWMBQOJYBDW-KRWDZBQOSA-N 2 1 292.854 3.757 20 0 CHADMP CCCC[C@@H](CC)C[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385631 1135234214 /nfs/dbraw/zinc/23/42/14/1135234214.db2.gz RZOGRUQESDXMMR-SJORKVTESA-N 2 1 266.473 3.811 20 0 CHADMP Cc1cc(C)c(C[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c(C)c1 ZINC001222385790 1135234957 /nfs/dbraw/zinc/23/49/57/1135234957.db2.gz WYQVMPZXBFDIEF-IBGZPJMESA-N 2 1 286.463 3.720 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c(C)c1 ZINC001222385790 1135234960 /nfs/dbraw/zinc/23/49/60/1135234960.db2.gz WYQVMPZXBFDIEF-IBGZPJMESA-N 2 1 286.463 3.720 20 0 CHADMP c1cc(C[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c2cccccc1-2 ZINC001222395340 1135235866 /nfs/dbraw/zinc/23/58/66/1135235866.db2.gz KJQFCFKDUHFHCM-HXUWFJFHSA-N 2 1 294.442 3.900 20 0 CHADMP c1cc(C[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c2cccccc1-2 ZINC001222395340 1135235870 /nfs/dbraw/zinc/23/58/70/1135235870.db2.gz KJQFCFKDUHFHCM-HXUWFJFHSA-N 2 1 294.442 3.900 20 0 CHADMP C(CC1CCCCC1)C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222422514 1135240717 /nfs/dbraw/zinc/24/07/17/1135240717.db2.gz VEFQQYINSXMKPZ-QGZVFWFLSA-N 2 1 264.457 3.565 20 0 CHADMP C(CC1CCCCC1)C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222422514 1135240718 /nfs/dbraw/zinc/24/07/18/1135240718.db2.gz VEFQQYINSXMKPZ-QGZVFWFLSA-N 2 1 264.457 3.565 20 0 CHADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc3occc3c2)C1 ZINC000347877382 529861517 /nfs/dbraw/zinc/86/15/17/529861517.db2.gz KYPUNIRABADMOU-KRWDZBQOSA-N 2 1 298.430 3.597 20 0 CHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc3occc3c2)C1 ZINC000347877382 529861518 /nfs/dbraw/zinc/86/15/18/529861518.db2.gz KYPUNIRABADMOU-KRWDZBQOSA-N 2 1 298.430 3.597 20 0 CHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc3occc3c2)C1 ZINC000347877382 529861520 /nfs/dbraw/zinc/86/15/20/529861520.db2.gz KYPUNIRABADMOU-KRWDZBQOSA-N 2 1 298.430 3.597 20 0 CHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc3occc3c2)C1 ZINC000347877382 529861522 /nfs/dbraw/zinc/86/15/22/529861522.db2.gz KYPUNIRABADMOU-KRWDZBQOSA-N 2 1 298.430 3.597 20 0 CHADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000574510636 335024822 /nfs/dbraw/zinc/02/48/22/335024822.db2.gz HYODFZUGYWKLQP-CQSZACIVSA-N 2 1 274.408 3.780 20 0 CHADMP COc1ccsc1[C@H](C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000186085340 262079104 /nfs/dbraw/zinc/07/91/04/262079104.db2.gz ZTPCXHVMRBVVMT-NSHDSACASA-N 2 1 296.480 3.717 20 0 CHADMP Cc1cc(C)cc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)c1 ZINC000221908904 262322829 /nfs/dbraw/zinc/32/28/29/262322829.db2.gz QXMSLETVHAJHDZ-INIZCTEOSA-N 2 1 262.441 3.684 20 0 CHADMP C[NH+]1CCC([NH2+]CC2CCC(c3ccccc3)CC2)CC1 ZINC000521317811 260043454 /nfs/dbraw/zinc/04/34/54/260043454.db2.gz YODHNKQBVYGPJL-UHFFFAOYSA-N 2 1 286.463 3.644 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000192923809 533420618 /nfs/dbraw/zinc/42/06/18/533420618.db2.gz IQJXOBKAXOJADS-AEFFLSMTSA-N 2 1 286.463 3.677 20 0 CHADMP CCc1ccc(C(C)(C)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000341933583 130143638 /nfs/dbraw/zinc/14/36/38/130143638.db2.gz UNXNDSNDQQSPRC-UHFFFAOYSA-N 2 1 285.435 3.669 20 0 CHADMP CC[NH+](CC)CCC[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000341984869 130208727 /nfs/dbraw/zinc/20/87/27/130208727.db2.gz HKPRSKIERXTVGZ-UHFFFAOYSA-N 2 1 272.436 3.508 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CCC=C(c2ccccc2)C1 ZINC000341984869 130208728 /nfs/dbraw/zinc/20/87/28/130208728.db2.gz HKPRSKIERXTVGZ-UHFFFAOYSA-N 2 1 272.436 3.508 20 0 CHADMP c1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000019914591 170924491 /nfs/dbraw/zinc/92/44/91/170924491.db2.gz MFSNODZCBKTFJU-UHFFFAOYSA-N 2 1 286.444 3.502 20 0 CHADMP c1ccc2c(c1)SCC[C@@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000020128814 171016555 /nfs/dbraw/zinc/01/65/55/171016555.db2.gz CAPXGPFIZITGTB-INIZCTEOSA-N 2 1 290.476 3.689 20 0 CHADMP Cc1ccc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)cc1 ZINC000020552226 171247914 /nfs/dbraw/zinc/24/79/14/171247914.db2.gz KJLSIVJXVALTID-UHFFFAOYSA-N 2 1 282.431 3.607 20 0 CHADMP CC(C)Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000037248750 260078593 /nfs/dbraw/zinc/07/85/93/260078593.db2.gz HKZKDVOEXYWRQH-OAHLLOKOSA-N 2 1 274.452 3.630 20 0 CHADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000349855316 226870901 /nfs/dbraw/zinc/87/09/01/226870901.db2.gz XLEOMOLKXVLSKQ-BQFCYCMXSA-N 2 1 286.463 3.753 20 0 CHADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000349855316 226870904 /nfs/dbraw/zinc/87/09/04/226870904.db2.gz XLEOMOLKXVLSKQ-BQFCYCMXSA-N 2 1 286.463 3.753 20 0 CHADMP Cc1ccc(CCC[N@H+](C)[C@@H]2CCC[C@H](C)C2)cn1 ZINC000353380764 228093181 /nfs/dbraw/zinc/09/31/81/228093181.db2.gz LHNLUTJZTIOTBP-WMLDXEAASA-N 2 1 260.425 3.833 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2ccccc2[C@@H]1C ZINC000179426188 260047604 /nfs/dbraw/zinc/04/76/04/260047604.db2.gz FWUSFVCKOHCWRV-HNNXBMFYSA-N 2 1 283.419 3.591 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2ccccc2[C@@H]1C ZINC000179426188 260047605 /nfs/dbraw/zinc/04/76/05/260047605.db2.gz FWUSFVCKOHCWRV-HNNXBMFYSA-N 2 1 283.419 3.591 20 0 CHADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000312755453 260197669 /nfs/dbraw/zinc/19/76/69/260197669.db2.gz OGRWXWXKGYXFRE-WPRPVWTQSA-N 2 1 293.263 3.662 20 0 CHADMP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)C1CCCC1 ZINC000449164103 260266541 /nfs/dbraw/zinc/26/65/41/260266541.db2.gz OSAAADYIKQLFMP-MRXNPFEDSA-N 2 1 263.429 3.530 20 0 CHADMP CSc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000091957346 260267341 /nfs/dbraw/zinc/26/73/41/260267341.db2.gz LTIWQEPGMDIPMM-CWRNSKLLSA-N 2 1 290.476 3.686 20 0 CHADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCc3occc32)CC1 ZINC000126539042 260353983 /nfs/dbraw/zinc/35/39/83/260353983.db2.gz GOPTVIAVVCUNRF-OAHLLOKOSA-N 2 1 276.424 3.510 20 0 CHADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000129973619 260391980 /nfs/dbraw/zinc/39/19/80/260391980.db2.gz MDCVGBCBUOZKJT-QGZVFWFLSA-N 2 1 290.426 3.666 20 0 CHADMP C[C@H]1C[C@@H](NCc2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000090721681 260393201 /nfs/dbraw/zinc/39/32/01/260393201.db2.gz CUGXWXYEOVOHSJ-HZMBPMFUSA-N 2 1 287.234 3.566 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000090721681 260393205 /nfs/dbraw/zinc/39/32/05/260393205.db2.gz CUGXWXYEOVOHSJ-HZMBPMFUSA-N 2 1 287.234 3.566 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000090721681 260393206 /nfs/dbraw/zinc/39/32/06/260393206.db2.gz CUGXWXYEOVOHSJ-HZMBPMFUSA-N 2 1 287.234 3.566 20 0 CHADMP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000130122462 260394437 /nfs/dbraw/zinc/39/44/37/260394437.db2.gz MIIDCWDURZPSBY-HLLBOEOZSA-N 2 1 290.451 3.607 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000091346682 260474869 /nfs/dbraw/zinc/47/48/69/260474869.db2.gz UZOCZYPRLXEVKB-GOSISDBHSA-N 2 1 283.419 3.713 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2CCc3ccc(C(C)C)cc32)CC1 ZINC000427866576 260868490 /nfs/dbraw/zinc/86/84/90/260868490.db2.gz LZBFESGAWGDQOJ-IBGZPJMESA-N 2 1 286.463 3.871 20 0 CHADMP CCc1ccccc1CC[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000444647405 261056209 /nfs/dbraw/zinc/05/62/09/261056209.db2.gz FBIIKHMWDUPKJU-QFBILLFUSA-N 2 1 288.479 3.596 20 0 CHADMP CCc1ccccc1CC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000444647405 261056211 /nfs/dbraw/zinc/05/62/11/261056211.db2.gz FBIIKHMWDUPKJU-QFBILLFUSA-N 2 1 288.479 3.596 20 0 CHADMP CCc1ccccc1CC[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000444647405 261056213 /nfs/dbraw/zinc/05/62/13/261056213.db2.gz FBIIKHMWDUPKJU-QFBILLFUSA-N 2 1 288.479 3.596 20 0 CHADMP C[C@@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000153977892 261086167 /nfs/dbraw/zinc/08/61/67/261086167.db2.gz BXWRFUMPJJMVLW-UONOGXRCSA-N 2 1 292.854 3.517 20 0 CHADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000449073536 261149668 /nfs/dbraw/zinc/14/96/68/261149668.db2.gz JBIUELORMSYUQZ-ZACQAIPSSA-N 2 1 278.484 3.665 20 0 CHADMP C[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC000249059467 261238988 /nfs/dbraw/zinc/23/89/88/261238988.db2.gz ZQCLAHPYVPZRTG-YBHGAXQMSA-N 2 1 284.447 3.840 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)c2ccccc2Cl)CC[N@H+]1C ZINC000164121546 261340878 /nfs/dbraw/zinc/34/08/78/261340878.db2.gz UCTXWRFVPMTUGV-KBPBESRZSA-N 2 1 294.870 3.690 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000177323444 261345927 /nfs/dbraw/zinc/34/59/27/261345927.db2.gz ONOATHOTTLMEGW-AQXGTKIOSA-N 2 1 284.447 3.570 20 0 CHADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)c2ccccc21 ZINC000521225888 261546495 /nfs/dbraw/zinc/54/64/95/261546495.db2.gz GKJXQGYIAANPLB-KZNAEPCWSA-N 2 1 282.362 3.547 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000183952757 262001052 /nfs/dbraw/zinc/00/10/52/262001052.db2.gz NKLGLHBRAJRRCS-HNNXBMFYSA-N 2 1 296.405 3.788 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000183952757 262001055 /nfs/dbraw/zinc/00/10/55/262001055.db2.gz NKLGLHBRAJRRCS-HNNXBMFYSA-N 2 1 296.405 3.788 20 0 CHADMP COc1ccsc1[C@@H](C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000186085358 262078756 /nfs/dbraw/zinc/07/87/56/262078756.db2.gz ZTPCXHVMRBVVMT-LLVKDONJSA-N 2 1 296.480 3.717 20 0 CHADMP COc1ccsc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000186154052 262081709 /nfs/dbraw/zinc/08/17/09/262081709.db2.gz WSADGECZHKWZIU-UONOGXRCSA-N 2 1 296.480 3.528 20 0 CHADMP COc1ccsc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000186154052 262081710 /nfs/dbraw/zinc/08/17/10/262081710.db2.gz WSADGECZHKWZIU-UONOGXRCSA-N 2 1 296.480 3.528 20 0 CHADMP CC(C)[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390612295 262229208 /nfs/dbraw/zinc/22/92/08/262229208.db2.gz XDDNSEBTLWPWIE-AEFFLSMTSA-N 2 1 288.479 3.921 20 0 CHADMP CC(C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390612295 262229209 /nfs/dbraw/zinc/22/92/09/262229209.db2.gz XDDNSEBTLWPWIE-AEFFLSMTSA-N 2 1 288.479 3.921 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H]1C ZINC000390692811 262241445 /nfs/dbraw/zinc/24/14/45/262241445.db2.gz QKEURAFBGKYIMT-VYKNZGEYSA-N 2 1 298.474 3.816 20 0 CHADMP CCc1oc2ccccc2c1C[NH2+]CCC[N@H+](C)C(C)C ZINC000221791180 262296903 /nfs/dbraw/zinc/29/69/03/262296903.db2.gz HHHINVJFQJZDDG-UHFFFAOYSA-N 2 1 288.435 3.815 20 0 CHADMP CCc1oc2ccccc2c1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000221791180 262296904 /nfs/dbraw/zinc/29/69/04/262296904.db2.gz HHHINVJFQJZDDG-UHFFFAOYSA-N 2 1 288.435 3.815 20 0 CHADMP C[C@H](Cc1ccc(F)cc1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000221815701 262300323 /nfs/dbraw/zinc/30/03/23/262300323.db2.gz IOPBIXIKLGPBAE-CVEARBPZSA-N 2 1 292.442 3.611 20 0 CHADMP Cc1ccc(C)c([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)c1 ZINC000221913111 262322711 /nfs/dbraw/zinc/32/27/11/262322711.db2.gz BBKKOXWXOJTICW-MRXNPFEDSA-N 2 1 262.441 3.684 20 0 CHADMP CC(C)[N@@H+](C)CCCN[C@@H]1CCc2cc(Cl)ccc21 ZINC000221925691 262327944 /nfs/dbraw/zinc/32/79/44/262327944.db2.gz UQAOEPFWQOFGLP-MRXNPFEDSA-N 2 1 280.843 3.647 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000221925691 262327945 /nfs/dbraw/zinc/32/79/45/262327945.db2.gz UQAOEPFWQOFGLP-MRXNPFEDSA-N 2 1 280.843 3.647 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000221925691 262327946 /nfs/dbraw/zinc/32/79/46/262327946.db2.gz UQAOEPFWQOFGLP-MRXNPFEDSA-N 2 1 280.843 3.647 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(C)cc2)C2CCC2)C1 ZINC000187023616 262335242 /nfs/dbraw/zinc/33/52/42/262335242.db2.gz FRANYLXMAQJEJF-QFBILLFUSA-N 2 1 286.463 3.768 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc(C)c1F ZINC000414177068 262814785 /nfs/dbraw/zinc/81/47/85/262814785.db2.gz JLIQHGGMTGZLEF-HZPDHXFCSA-N 2 1 292.442 3.825 20 0 CHADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2F)CC1 ZINC000414283744 262835744 /nfs/dbraw/zinc/83/57/44/262835744.db2.gz JQTSGZOQXNQPKT-HPBDAGMYSA-N 2 1 296.474 3.900 20 0 CHADMP CC[N@H+](Cc1ccc(Cl)cc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414677041 263030458 /nfs/dbraw/zinc/03/04/58/263030458.db2.gz ODUXDBSFAMOOOL-HIFRSBDPSA-N 2 1 280.843 3.550 20 0 CHADMP C[C@H](c1cc2ccccc2o1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414676922 263030531 /nfs/dbraw/zinc/03/05/31/263030531.db2.gz IEXJITHTQGPWHK-RBSFLKMASA-N 2 1 286.419 3.814 20 0 CHADMP CC[C@@H](C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000414714099 263034134 /nfs/dbraw/zinc/03/41/34/263034134.db2.gz LUIILGCXPVTZQD-FUHWJXTLSA-N 2 1 274.452 3.644 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCC[C@H](CC[NH3+])C2)C1 ZINC000414746254 263037275 /nfs/dbraw/zinc/03/72/75/263037275.db2.gz YUDYIFAASXFGMA-NEWSRXKRSA-N 2 1 286.463 3.558 20 0 CHADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC000414748709 263037867 /nfs/dbraw/zinc/03/78/67/263037867.db2.gz UXTIVSZWSVOIIN-RVKKMQEKSA-N 2 1 290.426 3.741 20 0 CHADMP C[C@H](CC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000414782236 263045850 /nfs/dbraw/zinc/04/58/50/263045850.db2.gz OAFOLSCBYKOQOT-NZSAHSFTSA-N 2 1 286.463 3.502 20 0 CHADMP c1ccc2cc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)ccc2c1 ZINC000414787711 263048230 /nfs/dbraw/zinc/04/82/30/263048230.db2.gz VXGXBTZJLQVLOH-VQTJNVASSA-N 2 1 294.442 3.661 20 0 CHADMP C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(C2CC2)c1 ZINC000340186494 263084570 /nfs/dbraw/zinc/08/45/70/263084570.db2.gz VGIDIIJZTIHAEQ-GDIGMMSISA-N 2 1 284.447 3.841 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1cccc(C2CC2)c1 ZINC000340186494 263084571 /nfs/dbraw/zinc/08/45/71/263084571.db2.gz VGIDIIJZTIHAEQ-GDIGMMSISA-N 2 1 284.447 3.841 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(C2CC2)c1 ZINC000340186494 263084572 /nfs/dbraw/zinc/08/45/72/263084572.db2.gz VGIDIIJZTIHAEQ-GDIGMMSISA-N 2 1 284.447 3.841 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(C2CC2)c1 ZINC000340186494 263084573 /nfs/dbraw/zinc/08/45/73/263084573.db2.gz VGIDIIJZTIHAEQ-GDIGMMSISA-N 2 1 284.447 3.841 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3)cc2F)CC[NH2+]1 ZINC000414943592 263153060 /nfs/dbraw/zinc/15/30/60/263153060.db2.gz FORWZYNNUHSYAJ-KSSFIOAISA-N 2 1 298.405 3.723 20 0 CHADMP C[C@H](CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000415034642 263257167 /nfs/dbraw/zinc/25/71/67/263257167.db2.gz CVBCXYWSCVEGJX-NEWSRXKRSA-N 2 1 286.463 3.644 20 0 CHADMP C[C@H](C[NH2+][C@H](C[NH3+])C1CCCC1)c1cccc(Cl)c1 ZINC000415061309 263257236 /nfs/dbraw/zinc/25/72/36/263257236.db2.gz CGTHDBKJTXRNET-MLGOLLRUSA-N 2 1 280.843 3.551 20 0 CHADMP CC[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000415061282 263258704 /nfs/dbraw/zinc/25/87/04/263258704.db2.gz ZYHLKCGZBHYUJJ-BHIYHBOVSA-N 2 1 286.463 3.644 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415060912 263259031 /nfs/dbraw/zinc/25/90/31/263259031.db2.gz ZKSRWCQSJOPLOL-MAUKXSAKSA-N 2 1 298.430 3.705 20 0 CHADMP [NH3+]C[C@H]([NH2+]Cc1cc2ccccc2s1)C1CCCC1 ZINC000415073892 263264372 /nfs/dbraw/zinc/26/43/72/263264372.db2.gz ZZNSYHHHMLDOKY-HNNXBMFYSA-N 2 1 274.433 3.508 20 0 CHADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415078905 263267883 /nfs/dbraw/zinc/26/78/83/263267883.db2.gz JGNQBLOHELGLLL-LAVFITLUSA-N 2 1 272.436 3.648 20 0 CHADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@H]2CCC[C@H]2c2ccccc2)CC[NH2+]1 ZINC000415113854 263274062 /nfs/dbraw/zinc/27/40/62/263274062.db2.gz SABYJFAHGXZXHF-FPAYPSAMSA-N 2 1 286.463 3.643 20 0 CHADMP CC1(C)CC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000314691655 265178231 /nfs/dbraw/zinc/17/82/31/265178231.db2.gz LSLWAVKKQCMVFL-BEFAXECRSA-N 2 1 298.474 3.873 20 0 CHADMP C[N@@H+](CCC[NH2+][C@@H]1CC(C)(C)OC1(C)C)C1CCCCC1 ZINC000094423980 265242584 /nfs/dbraw/zinc/24/25/84/265242584.db2.gz PEQDHFIBLIEMKH-MRXNPFEDSA-N 2 1 296.499 3.577 20 0 CHADMP CCSc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000369902926 267275423 /nfs/dbraw/zinc/27/54/23/267275423.db2.gz RZRJWUCJFVEEMT-HZPDHXFCSA-N 2 1 290.476 3.515 20 0 CHADMP CCSc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000369902926 267275424 /nfs/dbraw/zinc/27/54/24/267275424.db2.gz RZRJWUCJFVEEMT-HZPDHXFCSA-N 2 1 290.476 3.515 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000373517415 267685626 /nfs/dbraw/zinc/68/56/26/267685626.db2.gz ABLVCXCCOOSLNO-ZLPCBKJTSA-N 2 1 272.436 3.663 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000164615404 327722672 /nfs/dbraw/zinc/72/26/72/327722672.db2.gz DCVLSPYKJKUQAS-LBPRGKRZSA-N 2 1 293.361 3.601 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000563270784 328005771 /nfs/dbraw/zinc/00/57/71/328005771.db2.gz AIFDJUFQKVXSLL-JZXOWHBKSA-N 2 1 288.479 3.921 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H](CC2CC2)c2ccccc2)CC[N@@H+]1C ZINC000531725289 328023869 /nfs/dbraw/zinc/02/38/69/328023869.db2.gz ZJYVBABRUPRWKT-ZTFGCOKTSA-N 2 1 272.436 3.600 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H](CC2CC2)c2ccccc2)CC[N@H+]1C ZINC000531725289 328023871 /nfs/dbraw/zinc/02/38/71/328023871.db2.gz ZJYVBABRUPRWKT-ZTFGCOKTSA-N 2 1 272.436 3.600 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H](CC2CC2)c2ccccc2)CC[N@@H+]1C ZINC000531725288 328023933 /nfs/dbraw/zinc/02/39/33/328023933.db2.gz ZJYVBABRUPRWKT-OLMNPRSZSA-N 2 1 272.436 3.600 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H](CC2CC2)c2ccccc2)CC[N@H+]1C ZINC000531725288 328023934 /nfs/dbraw/zinc/02/39/34/328023934.db2.gz ZJYVBABRUPRWKT-OLMNPRSZSA-N 2 1 272.436 3.600 20 0 CHADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1Cl ZINC000531689113 328024376 /nfs/dbraw/zinc/02/43/76/328024376.db2.gz VWXTXUPQJKTIPV-ZDUSSCGKSA-N 2 1 298.858 3.730 20 0 CHADMP COc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1Cl ZINC000531689113 328024378 /nfs/dbraw/zinc/02/43/78/328024378.db2.gz VWXTXUPQJKTIPV-ZDUSSCGKSA-N 2 1 298.858 3.730 20 0 CHADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1c1ccccc1Cl ZINC000534019861 328033154 /nfs/dbraw/zinc/03/31/54/328033154.db2.gz LTGOTTGCWSGMFB-PBHICJAKSA-N 2 1 292.854 3.961 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1c1ccccc1Cl ZINC000534019861 328033155 /nfs/dbraw/zinc/03/31/55/328033155.db2.gz LTGOTTGCWSGMFB-PBHICJAKSA-N 2 1 292.854 3.961 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000534019861 328033157 /nfs/dbraw/zinc/03/31/57/328033157.db2.gz LTGOTTGCWSGMFB-PBHICJAKSA-N 2 1 292.854 3.961 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000534019861 328033159 /nfs/dbraw/zinc/03/31/59/328033159.db2.gz LTGOTTGCWSGMFB-PBHICJAKSA-N 2 1 292.854 3.961 20 0 CHADMP CC(C)c1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000129435935 328051408 /nfs/dbraw/zinc/05/14/08/328051408.db2.gz IFNYFGRWWCXWPU-VKJFTORMSA-N 2 1 274.452 3.943 20 0 CHADMP CC(C)c1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000129435935 328051410 /nfs/dbraw/zinc/05/14/10/328051410.db2.gz IFNYFGRWWCXWPU-VKJFTORMSA-N 2 1 274.452 3.943 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3s2)[C@H](C)C1 ZINC000571304575 328101170 /nfs/dbraw/zinc/10/11/70/328101170.db2.gz SMMXWYZKPIEGMN-CJNGLKHVSA-N 2 1 288.460 3.721 20 0 CHADMP CC[C@H]([NH2+]CCCc1c[nH+]cn1C)C(C)(C)c1ccccc1 ZINC000571414025 328119837 /nfs/dbraw/zinc/11/98/37/328119837.db2.gz CVFPUTWGRKRSNV-SFHVURJKSA-N 2 1 299.462 3.699 20 0 CHADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc4ccccc43)C2)C1 ZINC000572847101 328123895 /nfs/dbraw/zinc/12/38/95/328123895.db2.gz SSBVRQPAWLXXKF-HXUWFJFHSA-N 2 1 294.442 3.758 20 0 CHADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc4ccccc43)C2)C1 ZINC000572847101 328123897 /nfs/dbraw/zinc/12/38/97/328123897.db2.gz SSBVRQPAWLXXKF-HXUWFJFHSA-N 2 1 294.442 3.758 20 0 CHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc4ccccc43)C2)C1 ZINC000572847101 328123898 /nfs/dbraw/zinc/12/38/98/328123898.db2.gz SSBVRQPAWLXXKF-HXUWFJFHSA-N 2 1 294.442 3.758 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C(C)(C)C)[C@@H](C)C1 ZINC000414309078 328154240 /nfs/dbraw/zinc/15/42/40/328154240.db2.gz UKHHNVYVKVLABA-YHUYYLMFSA-N 2 1 266.473 3.521 20 0 CHADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2cccc3ccccc32)CC[NH2+]1 ZINC000414672345 328212707 /nfs/dbraw/zinc/21/27/07/328212707.db2.gz HGYHZJRUUUNKJE-JKSUJKDBSA-N 2 1 282.431 3.660 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CCCC2CCCCC2)C1 ZINC000395225067 329284696 /nfs/dbraw/zinc/28/46/96/329284696.db2.gz PKLKUNXGCMLUIX-KRWDZBQOSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1cccc(Cl)c1 ZINC000049856218 328380394 /nfs/dbraw/zinc/38/03/94/328380394.db2.gz CXKZMWZXURBDKU-CZUORRHYSA-N 2 1 280.843 3.865 20 0 CHADMP c1ccc([C@H](CC2CC2)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000531989759 328384720 /nfs/dbraw/zinc/38/47/20/328384720.db2.gz VPRWCAGNIMODLQ-IBGZPJMESA-N 2 1 284.447 3.744 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2CCCC23CCCCC3)CC1 ZINC000313002712 327022833 /nfs/dbraw/zinc/02/28/33/327022833.db2.gz ZWVCDUIOBJPJID-MRXNPFEDSA-N 2 1 264.457 3.563 20 0 CHADMP C[C@@H]1CCC[C@@H](CC[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000559312782 327158245 /nfs/dbraw/zinc/15/82/45/327158245.db2.gz SYBRWUQEOYBEDZ-SQNIBIBYSA-N 2 1 278.484 3.621 20 0 CHADMP C[C@@H]1CCC[C@@H](CC[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)C1 ZINC000559312782 327158246 /nfs/dbraw/zinc/15/82/46/327158246.db2.gz SYBRWUQEOYBEDZ-SQNIBIBYSA-N 2 1 278.484 3.621 20 0 CHADMP C[C@@H]1CCC[C@@H](CC[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000559312782 327158247 /nfs/dbraw/zinc/15/82/47/327158247.db2.gz SYBRWUQEOYBEDZ-SQNIBIBYSA-N 2 1 278.484 3.621 20 0 CHADMP CCC(CC)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000409444757 327161660 /nfs/dbraw/zinc/16/16/60/327161660.db2.gz XYJBAXWPOOVAIH-LJQANCHMSA-N 2 1 288.479 3.877 20 0 CHADMP CCC(CC)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000409444757 327161662 /nfs/dbraw/zinc/16/16/62/327161662.db2.gz XYJBAXWPOOVAIH-LJQANCHMSA-N 2 1 288.479 3.877 20 0 CHADMP CCC(CC)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000409444757 327161664 /nfs/dbraw/zinc/16/16/64/327161664.db2.gz XYJBAXWPOOVAIH-LJQANCHMSA-N 2 1 288.479 3.877 20 0 CHADMP CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000569361662 327164029 /nfs/dbraw/zinc/16/40/29/327164029.db2.gz KVXCDJKMGBMUEZ-QGZVFWFLSA-N 2 1 272.436 3.573 20 0 CHADMP CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000569361662 327164031 /nfs/dbraw/zinc/16/40/31/327164031.db2.gz KVXCDJKMGBMUEZ-QGZVFWFLSA-N 2 1 272.436 3.573 20 0 CHADMP Cc1ccccc1[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000091268711 327185259 /nfs/dbraw/zinc/18/52/59/327185259.db2.gz XKJDLXGWUIUEFT-LJQANCHMSA-N 2 1 284.447 3.663 20 0 CHADMP CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CCCn1cc[nH+]c1C ZINC000536475362 327240941 /nfs/dbraw/zinc/24/09/41/327240941.db2.gz GHYGLKSVUBNNLI-LJQANCHMSA-N 2 1 299.462 3.843 20 0 CHADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000536475362 327240943 /nfs/dbraw/zinc/24/09/43/327240943.db2.gz GHYGLKSVUBNNLI-LJQANCHMSA-N 2 1 299.462 3.843 20 0 CHADMP Cc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000559732856 327258754 /nfs/dbraw/zinc/25/87/54/327258754.db2.gz AIKGWGKETQYMAW-PMACEKPBSA-N 2 1 294.442 3.920 20 0 CHADMP Cc1ccccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000559732856 327258755 /nfs/dbraw/zinc/25/87/55/327258755.db2.gz AIKGWGKETQYMAW-PMACEKPBSA-N 2 1 294.442 3.920 20 0 CHADMP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000559788125 327261386 /nfs/dbraw/zinc/26/13/86/327261386.db2.gz DHJIPZWINZGHNB-OWYHZJEWSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000559788125 327261388 /nfs/dbraw/zinc/26/13/88/327261388.db2.gz DHJIPZWINZGHNB-OWYHZJEWSA-N 2 1 286.463 3.990 20 0 CHADMP CC1=CC[C@@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000559892742 327268772 /nfs/dbraw/zinc/26/87/72/327268772.db2.gz FKGVBEFGJIFQLX-JKSUJKDBSA-N 2 1 264.457 3.585 20 0 CHADMP CC1=CC[C@@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000559892742 327268774 /nfs/dbraw/zinc/26/87/74/327268774.db2.gz FKGVBEFGJIFQLX-JKSUJKDBSA-N 2 1 264.457 3.585 20 0 CHADMP CCC1CC([NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000560245792 327293378 /nfs/dbraw/zinc/29/33/78/327293378.db2.gz JBTHIDLWMTZUDG-HJOIGYKYSA-N 2 1 274.452 3.675 20 0 CHADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000560594618 327329112 /nfs/dbraw/zinc/32/91/12/327329112.db2.gz FOMNECPNWZIVGD-KZNAEPCWSA-N 2 1 278.484 3.621 20 0 CHADMP CC[C@@H]1CCC[C@@H](C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)C1 ZINC000560594618 327329114 /nfs/dbraw/zinc/32/91/14/327329114.db2.gz FOMNECPNWZIVGD-KZNAEPCWSA-N 2 1 278.484 3.621 20 0 CHADMP CC[C@@H]1CCC[C@@H](C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000560594618 327329116 /nfs/dbraw/zinc/32/91/16/327329116.db2.gz FOMNECPNWZIVGD-KZNAEPCWSA-N 2 1 278.484 3.621 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C2CC(C)(c3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000561314094 327385016 /nfs/dbraw/zinc/38/50/16/327385016.db2.gz BMIOGKYIQIUPLG-RWSSSABPSA-N 2 1 298.474 3.569 20 0 CHADMP CC[C@@H](C[NH2+][C@H]1CCCc2ccccc21)[NH+]1CCCC1 ZINC000360071584 328903239 /nfs/dbraw/zinc/90/32/39/328903239.db2.gz LQXQPZPNWWDMAQ-WMZOPIPTSA-N 2 1 272.436 3.528 20 0 CHADMP C[C@@H](CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000193992309 329064399 /nfs/dbraw/zinc/06/43/99/329064399.db2.gz IEOLZAIFFRFSIG-ZWKOTPCHSA-N 2 1 286.463 3.598 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CC[C@H](C)c1ccccc1 ZINC000194193995 329067182 /nfs/dbraw/zinc/06/71/82/329067182.db2.gz DFHJLCVCISNXLZ-CVEARBPZSA-N 2 1 285.435 3.611 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+]CC[C@@H](C)c2ccccc2)C1 ZINC000194261395 329080317 /nfs/dbraw/zinc/08/03/17/329080317.db2.gz UVQNXENBKAEVQT-SJORKVTESA-N 2 1 274.452 3.502 20 0 CHADMP c1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc2c1CCC2 ZINC000172576398 329137605 /nfs/dbraw/zinc/13/76/05/329137605.db2.gz WGHUEPOLQYHCOQ-FQEVSTJZSA-N 2 1 298.474 3.626 20 0 CHADMP C([NH2+]C(C1CC1)C1CC1)[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000582763704 329155382 /nfs/dbraw/zinc/15/53/82/329155382.db2.gz YNVBMERWKYEJPE-KRWDZBQOSA-N 2 1 276.468 3.562 20 0 CHADMP C([NH2+]C(C1CC1)C1CC1)[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000582763704 329155384 /nfs/dbraw/zinc/15/53/84/329155384.db2.gz YNVBMERWKYEJPE-KRWDZBQOSA-N 2 1 276.468 3.562 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(C)sc2C)C1 ZINC000174212923 329155507 /nfs/dbraw/zinc/15/55/07/329155507.db2.gz NNJUYGAMSNDDDA-HNNXBMFYSA-N 2 1 280.481 3.529 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(C)sc2C)C1 ZINC000174212923 329155508 /nfs/dbraw/zinc/15/55/08/329155508.db2.gz NNJUYGAMSNDDDA-HNNXBMFYSA-N 2 1 280.481 3.529 20 0 CHADMP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1sc(C)nc1C ZINC000178573379 329200778 /nfs/dbraw/zinc/20/07/78/329200778.db2.gz HISGQBXUGNUUMJ-ZDUSSCGKSA-N 2 1 297.512 3.923 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCCc2ccccc21 ZINC000178704965 329202539 /nfs/dbraw/zinc/20/25/39/329202539.db2.gz BPIZYQFFKOSFFU-HNAYVOBHSA-N 2 1 297.446 3.885 20 0 CHADMP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000178703465 329202701 /nfs/dbraw/zinc/20/27/01/329202701.db2.gz MSGIAXJWMOTIMG-LZWOXQAQSA-N 2 1 265.445 3.632 20 0 CHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](CC)c2ccccc2F)C1 ZINC000180206825 329218588 /nfs/dbraw/zinc/21/85/88/329218588.db2.gz QJOSFVUZDJTGEM-PBHICJAKSA-N 2 1 278.415 3.598 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)c2ccccc2F)C1 ZINC000180206825 329218589 /nfs/dbraw/zinc/21/85/89/329218589.db2.gz QJOSFVUZDJTGEM-PBHICJAKSA-N 2 1 278.415 3.598 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccco1 ZINC000183188995 329245364 /nfs/dbraw/zinc/24/53/64/329245364.db2.gz WDXZVXYCOFCCIO-RRFJBIMHSA-N 2 1 276.424 3.583 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccco1 ZINC000183188995 329245365 /nfs/dbraw/zinc/24/53/65/329245365.db2.gz WDXZVXYCOFCCIO-RRFJBIMHSA-N 2 1 276.424 3.583 20 0 CHADMP CC1=CCC[C@H](C)[C@H]1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000584378548 329307056 /nfs/dbraw/zinc/30/70/56/329307056.db2.gz NYFLATXQIJMOKJ-UHOSZYNNSA-N 2 1 290.495 3.643 20 0 CHADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000583232985 329385693 /nfs/dbraw/zinc/38/56/93/329385693.db2.gz NBNISYNKPBDZJL-HSBZDZAISA-N 2 1 294.405 3.673 20 0 CHADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000583232985 329385694 /nfs/dbraw/zinc/38/56/94/329385694.db2.gz NBNISYNKPBDZJL-HSBZDZAISA-N 2 1 294.405 3.673 20 0 CHADMP CCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379659433 330146424 /nfs/dbraw/zinc/14/64/24/330146424.db2.gz ZZLJNNMIFNMXRE-FUHWJXTLSA-N 2 1 274.452 3.819 20 0 CHADMP CCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379659433 330146425 /nfs/dbraw/zinc/14/64/25/330146425.db2.gz ZZLJNNMIFNMXRE-FUHWJXTLSA-N 2 1 274.452 3.819 20 0 CHADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(Cl)ccc1Cl ZINC000422781240 330155029 /nfs/dbraw/zinc/15/50/29/330155029.db2.gz LFEPIZJWDVVFSF-PWSUYJOCSA-N 2 1 287.234 3.786 20 0 CHADMP Cc1cc(C)c(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c(C)c1 ZINC000422784034 330155025 /nfs/dbraw/zinc/15/50/25/330155025.db2.gz PCNWCMGTTPFURV-OALUTQOASA-N 2 1 280.415 3.846 20 0 CHADMP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1F ZINC000422879616 330158917 /nfs/dbraw/zinc/15/89/17/330158917.db2.gz VRDIFYBRXHLIHO-DVJFUJMWSA-N 2 1 294.389 3.535 20 0 CHADMP Fc1ccc([C@H]([NH2+][C@H]2CCC[NH2+]CC2)c2ccccc2)cc1 ZINC000422932778 330161207 /nfs/dbraw/zinc/16/12/07/330161207.db2.gz GUQKNRDOCLCLJI-RBUKOAKNSA-N 2 1 298.405 3.647 20 0 CHADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422941251 330161633 /nfs/dbraw/zinc/16/16/33/330161633.db2.gz UTESFAIVNOBRAK-GBESFXJTSA-N 2 1 278.399 3.717 20 0 CHADMP CC(C)C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1cccs1 ZINC000422947066 330161866 /nfs/dbraw/zinc/16/18/66/330161866.db2.gz PSBVVYYDNLPWMS-MGPQQGTHSA-N 2 1 266.454 3.565 20 0 CHADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000422958492 330164223 /nfs/dbraw/zinc/16/42/23/330164223.db2.gz PIXYMMGVFAHTBZ-LEUOFYLZSA-N 2 1 272.436 3.648 20 0 CHADMP CSCc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000423059651 330167750 /nfs/dbraw/zinc/16/77/50/330167750.db2.gz MJFXJOQKMSMRMN-MSOLQXFVSA-N 2 1 298.455 3.784 20 0 CHADMP C[C@@H](CC[NH2+][C@H](C)c1c[nH+]ccc1N)CC(C)(C)C ZINC000423063367 330168068 /nfs/dbraw/zinc/16/80/68/330168068.db2.gz WFMRJRZZTKNNSL-QWHCGFSZSA-N 2 1 263.429 3.607 20 0 CHADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)c2ccccc21 ZINC000423089021 330169282 /nfs/dbraw/zinc/16/92/82/330169282.db2.gz UGRTWOWLEYSMKX-QYZOEREBSA-N 2 1 296.389 3.938 20 0 CHADMP C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423095513 330169834 /nfs/dbraw/zinc/16/98/34/330169834.db2.gz MQWAQTRQZGPKID-ODVANORSSA-N 2 1 292.854 3.706 20 0 CHADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000423167812 330174243 /nfs/dbraw/zinc/17/42/43/330174243.db2.gz XGUJSAUTOQCHAR-ZACQAIPSSA-N 2 1 296.524 3.516 20 0 CHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000423167810 330174301 /nfs/dbraw/zinc/17/43/01/330174301.db2.gz XGUJSAUTOQCHAR-IKGGRYGDSA-N 2 1 296.524 3.516 20 0 CHADMP C[C@H]([NH2+]CC[NH3+])c1ccc(-c2ccc(Cl)cc2)s1 ZINC000423195906 330176308 /nfs/dbraw/zinc/17/63/08/330176308.db2.gz YKSHXQHNZXOJPB-JTQLQIEISA-N 2 1 280.824 3.678 20 0 CHADMP COc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCCCC2)cc1F ZINC000423203662 330177058 /nfs/dbraw/zinc/17/70/58/330177058.db2.gz SVWOCYGRJFKCHR-ZDUSSCGKSA-N 2 1 294.414 3.537 20 0 CHADMP c1ccc2c(c1)sc1c2CCC[C@H]1[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423233566 330181213 /nfs/dbraw/zinc/18/12/13/330181213.db2.gz KCJOCTZDDXWFAZ-SWLSCSKDSA-N 2 1 286.444 3.620 20 0 CHADMP CCc1nc(C)c([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)s1 ZINC000423259226 330183365 /nfs/dbraw/zinc/18/33/65/330183365.db2.gz DIJKXPPKXJSMTN-SMDDNHRTSA-N 2 1 295.496 3.572 20 0 CHADMP CCc1nc(C)c([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)s1 ZINC000423259223 330183407 /nfs/dbraw/zinc/18/34/07/330183407.db2.gz DIJKXPPKXJSMTN-BXUZGUMPSA-N 2 1 295.496 3.572 20 0 CHADMP CC(C)([NH3+])C[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000423288205 330185992 /nfs/dbraw/zinc/18/59/92/330185992.db2.gz QYOKLFLOBKGGLR-LBPRGKRZSA-N 2 1 284.856 3.594 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000423287708 330186002 /nfs/dbraw/zinc/18/60/02/330186002.db2.gz NXVXRGMOXRFXDH-LLVKDONJSA-N 2 1 299.256 3.617 20 0 CHADMP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000423286304 330186268 /nfs/dbraw/zinc/18/62/68/330186268.db2.gz GMOFJDQFKHQFRG-NSHDSACASA-N 2 1 289.448 3.506 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(SC)c(OC)c1 ZINC000423289418 330186390 /nfs/dbraw/zinc/18/63/90/330186390.db2.gz XEWXEXJUPYCPGZ-GFCCVEGCSA-N 2 1 296.480 3.585 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccccc1SC ZINC000423297801 330188472 /nfs/dbraw/zinc/18/84/72/330188472.db2.gz LYEFFCPFHJTFBY-CHWSQXEVSA-N 2 1 266.454 3.577 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1 ZINC000423299714 330188935 /nfs/dbraw/zinc/18/89/35/330188935.db2.gz QLZPMQXBRWDQON-YESZJQIVSA-N 2 1 289.467 3.523 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1 ZINC000423299712 330189060 /nfs/dbraw/zinc/18/90/60/330189060.db2.gz QLZPMQXBRWDQON-GVDBMIGSSA-N 2 1 289.467 3.523 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000423303801 330189106 /nfs/dbraw/zinc/18/91/06/330189106.db2.gz XNBOHTTXMUMCLG-ZACQAIPSSA-N 2 1 274.452 3.676 20 0 CHADMP CC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000423312260 330189509 /nfs/dbraw/zinc/18/95/09/330189509.db2.gz DBCHQZOMPMEGQW-KBPBESRZSA-N 2 1 287.234 3.771 20 0 CHADMP [NH3+][C@H](C[NH2+][C@H]1CCCSc2ccc(Cl)cc21)C1CC1 ZINC000423320082 330190347 /nfs/dbraw/zinc/19/03/47/330190347.db2.gz MAVYNHQRQHHQMZ-KGLIPLIRSA-N 2 1 296.867 3.594 20 0 CHADMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(-c2ccccc2)o1 ZINC000423324816 330190752 /nfs/dbraw/zinc/19/07/52/330190752.db2.gz JAFFCXNFNWFDCX-DNVCBOLYSA-N 2 1 298.430 3.987 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)c2ccsc2S1 ZINC000423327614 330190983 /nfs/dbraw/zinc/19/09/83/330190983.db2.gz LMAYPACHTWKKIW-LNSITVRQSA-N 2 1 296.505 3.653 20 0 CHADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(-c2ccccc2)c1 ZINC000423329658 330191102 /nfs/dbraw/zinc/19/11/02/330191102.db2.gz TVXKNCLCSNHFHP-IFXJQAMLSA-N 2 1 280.415 3.742 20 0 CHADMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-c2ccc(F)cc2)s1 ZINC000423341522 330192043 /nfs/dbraw/zinc/19/20/43/330192043.db2.gz YAPWKMJOFUIHJN-MNOVXSKESA-N 2 1 278.396 3.552 20 0 CHADMP Cc1cccc(COc2ccc([C@H](C)[NH2+][C@@H](C)C[NH3+])cc2)c1 ZINC000423360975 330193559 /nfs/dbraw/zinc/19/35/59/330193559.db2.gz GIZZKDJPFYXVIC-HOTGVXAUSA-N 2 1 298.430 3.572 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cccc(Cl)c1F ZINC000423365077 330194333 /nfs/dbraw/zinc/19/43/33/330194333.db2.gz CUKZBDUMDMRTCC-LEWSCRJBSA-N 2 1 284.806 3.518 20 0 CHADMP CC(C)[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(Cl)cc1F ZINC000423367914 330194632 /nfs/dbraw/zinc/19/46/32/330194632.db2.gz AUHDTOYEKQRYGT-AXAPSJFSSA-N 2 1 298.833 3.906 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCSc3c(Cl)cccc32)CC[NH2+]1 ZINC000423370558 330194976 /nfs/dbraw/zinc/19/49/76/330194976.db2.gz GZNCKHMAXZWVEF-GYSYKLTISA-N 2 1 296.867 3.607 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2F)C2CCCC2)CC[NH2+]1 ZINC000423373290 330195502 /nfs/dbraw/zinc/19/55/02/330195502.db2.gz JCOYNKNYANSZLN-DDUZABMNSA-N 2 1 290.426 3.787 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@H]2CC[NH2+][C@H](C)C2)C2CCCC2)o1 ZINC000423404137 330196713 /nfs/dbraw/zinc/19/67/13/330196713.db2.gz YTQDDYMAVIEGEB-ISTRZQFTSA-N 2 1 276.424 3.549 20 0 CHADMP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(Cl)cc1F ZINC000423405860 330196758 /nfs/dbraw/zinc/19/67/58/330196758.db2.gz UEKAVFUUAXMZSZ-LYRGGWFBSA-N 2 1 298.833 3.764 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cccc(Cl)c1Cl ZINC000423375191 330198756 /nfs/dbraw/zinc/19/87/56/330198756.db2.gz XPLZAOYDGZCBDL-WDEREUQCSA-N 2 1 287.234 3.786 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C(c2ccccc2)c2ccccc2)CC[NH2+]1 ZINC000423395375 330201030 /nfs/dbraw/zinc/20/10/30/330201030.db2.gz SRHZQSVBSRVQCV-CRAIPNDOSA-N 2 1 280.415 3.506 20 0 CHADMP CC[C@H]([NH3+])C[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1 ZINC000423465617 330204370 /nfs/dbraw/zinc/20/43/70/330204370.db2.gz MURSPONCDUXHSO-LSDHHAIUSA-N 2 1 266.816 3.508 20 0 CHADMP CSc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000423509419 330209122 /nfs/dbraw/zinc/20/91/22/330209122.db2.gz JRCCZZNCIFCANA-WBMJQRKESA-N 2 1 278.465 3.577 20 0 CHADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423519107 330209771 /nfs/dbraw/zinc/20/97/71/330209771.db2.gz ZXJIBKXODXWJJL-SMDDNHRTSA-N 2 1 295.496 3.743 20 0 CHADMP COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c2ccccc12 ZINC000423570798 330212050 /nfs/dbraw/zinc/21/20/50/330212050.db2.gz XDBHTORJVSRSIG-LSDHHAIUSA-N 2 1 298.430 3.641 20 0 CHADMP C[C@H](NCC[C@@H]1CCCC[N@H+]1C)c1cc2ccccc2o1 ZINC000527505097 330255066 /nfs/dbraw/zinc/25/50/66/330255066.db2.gz HDHCIEANHCUMIE-HOCLYGCPSA-N 2 1 286.419 3.958 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1cc2ccccc2o1 ZINC000527505097 330255068 /nfs/dbraw/zinc/25/50/68/330255068.db2.gz HDHCIEANHCUMIE-HOCLYGCPSA-N 2 1 286.419 3.958 20 0 CHADMP CC(C)Cc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000527733820 330278330 /nfs/dbraw/zinc/27/83/30/330278330.db2.gz RCMAVRXNCSPYDS-OALUTQOASA-N 2 1 286.463 3.602 20 0 CHADMP CC(C)c1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000527864594 330285436 /nfs/dbraw/zinc/28/54/36/330285436.db2.gz JLSOBHCONSWPNG-RLFYNMQTSA-N 2 1 274.452 3.943 20 0 CHADMP CC(C)c1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000527864594 330285437 /nfs/dbraw/zinc/28/54/37/330285437.db2.gz JLSOBHCONSWPNG-RLFYNMQTSA-N 2 1 274.452 3.943 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)[C@H]2CC23CC3)CC1 ZINC000527847661 330287917 /nfs/dbraw/zinc/28/79/17/330287917.db2.gz HFDHHGUIGBKPGH-QFBILLFUSA-N 2 1 298.474 3.738 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)[C@@H]1CC12CC2 ZINC000527849973 330288193 /nfs/dbraw/zinc/28/81/93/330288193.db2.gz NDCUBZGYNVOBSG-QAPCUYQASA-N 2 1 286.463 3.805 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCCC2 ZINC000044534235 330329753 /nfs/dbraw/zinc/32/97/53/330329753.db2.gz FBYWFVDSHKSONJ-HZPDHXFCSA-N 2 1 286.463 3.558 20 0 CHADMP Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1C ZINC000044534203 330329811 /nfs/dbraw/zinc/32/98/11/330329811.db2.gz BZCDDUFVZXAZQB-DLBZAZTESA-N 2 1 274.452 3.604 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccccc1OC(F)F ZINC000424373297 330348255 /nfs/dbraw/zinc/34/82/55/330348255.db2.gz JMMVJYHHAZPKMJ-HZSPNIEDSA-N 2 1 298.377 3.599 20 0 CHADMP Cc1cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)ccc1Cl ZINC000424378370 330348978 /nfs/dbraw/zinc/34/89/78/330348978.db2.gz NAHMLMKLDZMCFF-CQSZACIVSA-N 2 1 292.854 3.612 20 0 CHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C2CCCC2)C1 ZINC000120096304 330384404 /nfs/dbraw/zinc/38/44/04/330384404.db2.gz VVGVLJFAHWKENS-CVEARBPZSA-N 2 1 264.457 3.515 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000120096304 330384405 /nfs/dbraw/zinc/38/44/05/330384405.db2.gz VVGVLJFAHWKENS-CVEARBPZSA-N 2 1 264.457 3.515 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000120096304 330384406 /nfs/dbraw/zinc/38/44/06/330384406.db2.gz VVGVLJFAHWKENS-CVEARBPZSA-N 2 1 264.457 3.515 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CC=CCC2)cc1 ZINC000090035958 330389921 /nfs/dbraw/zinc/38/99/21/330389921.db2.gz ZZVLOMXORVTNAC-RHSMWYFYSA-N 2 1 281.403 3.940 20 0 CHADMP CC[C@H]1CCCC[C@@H]1[N@@H+](C)CCCCn1ccnc1C ZINC000120780615 330391310 /nfs/dbraw/zinc/39/13/10/330391310.db2.gz DZZVGQCRIKNCSP-IRXDYDNUSA-N 2 1 277.456 3.872 20 0 CHADMP CC[C@H]1CCCC[C@@H]1[N@H+](C)CCCCn1cc[nH+]c1C ZINC000120780615 330391311 /nfs/dbraw/zinc/39/13/11/330391311.db2.gz DZZVGQCRIKNCSP-IRXDYDNUSA-N 2 1 277.456 3.872 20 0 CHADMP CC[C@H]1CCCC[C@@H]1[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000120780615 330391312 /nfs/dbraw/zinc/39/13/12/330391312.db2.gz DZZVGQCRIKNCSP-IRXDYDNUSA-N 2 1 277.456 3.872 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC000090585382 330393780 /nfs/dbraw/zinc/39/37/80/330393780.db2.gz CVSHIRQZOZOBBN-JKSUJKDBSA-N 2 1 278.440 3.607 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)o1 ZINC000090585382 330393781 /nfs/dbraw/zinc/39/37/81/330393781.db2.gz CVSHIRQZOZOBBN-JKSUJKDBSA-N 2 1 278.440 3.607 20 0 CHADMP CC[NH+](CC)[C@@H](C[NH2+]C[C@@H]1CC=CCC1)CC(C)C ZINC000515083635 330470399 /nfs/dbraw/zinc/47/03/99/330470399.db2.gz COFCKFXEWIBEEI-IAGOWNOFSA-N 2 1 266.473 3.689 20 0 CHADMP CCC[C@@H]([NH2+]CCC[NH+](CC)CC)c1ccsc1 ZINC000443086809 330794241 /nfs/dbraw/zinc/79/42/41/330794241.db2.gz PKWBUBREWBUVCZ-OAHLLOKOSA-N 2 1 268.470 3.911 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000451300733 331023750 /nfs/dbraw/zinc/02/37/50/331023750.db2.gz VSGIEBCEKQWDKH-MJBXVCDLSA-N 2 1 292.389 3.572 20 0 CHADMP CSc1ccccc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000194847661 331064771 /nfs/dbraw/zinc/06/47/71/331064771.db2.gz DFWPHTCDRIEXMB-ZIAGYGMSSA-N 2 1 290.476 3.543 20 0 CHADMP CCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCC)C1)C(C)(C)C ZINC000453086557 331087866 /nfs/dbraw/zinc/08/78/66/331087866.db2.gz HZQQKHDVCGYYHF-LSDHHAIUSA-N 2 1 254.462 3.523 20 0 CHADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000453251949 331107815 /nfs/dbraw/zinc/10/78/15/331107815.db2.gz GQDNXCCJKIFGGZ-FHSNZYRGSA-N 2 1 290.426 3.521 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000453251949 331107816 /nfs/dbraw/zinc/10/78/16/331107816.db2.gz GQDNXCCJKIFGGZ-FHSNZYRGSA-N 2 1 290.426 3.521 20 0 CHADMP CC(C)CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccoc1 ZINC000453348686 331120306 /nfs/dbraw/zinc/12/03/06/331120306.db2.gz LEKVTWNIKLYYBB-HQSKLWIPSA-N 2 1 290.451 3.972 20 0 CHADMP CC(C)CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccoc1 ZINC000453348686 331120307 /nfs/dbraw/zinc/12/03/07/331120307.db2.gz LEKVTWNIKLYYBB-HQSKLWIPSA-N 2 1 290.451 3.972 20 0 CHADMP COc1ccc(C)cc1[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453388605 331126948 /nfs/dbraw/zinc/12/69/48/331126948.db2.gz BRGASHDXMKMPJX-HNNXBMFYSA-N 2 1 290.451 3.529 20 0 CHADMP Cc1ccc(CC[C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000453394515 331127788 /nfs/dbraw/zinc/12/77/88/331127788.db2.gz GXGDFXWAAMKIEG-QGZVFWFLSA-N 2 1 288.479 3.780 20 0 CHADMP Cc1cc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc(C)c1F ZINC000453399202 331128476 /nfs/dbraw/zinc/12/84/76/331128476.db2.gz LBJWCVOVMKSZBE-HNNXBMFYSA-N 2 1 292.442 3.968 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@H](C)C2 ZINC000453400423 331128615 /nfs/dbraw/zinc/12/86/15/331128615.db2.gz MCHBHGGWEFXGHC-KXBFYZLASA-N 2 1 286.463 3.692 20 0 CHADMP CSc1ccccc1[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453404305 331129204 /nfs/dbraw/zinc/12/92/04/331129204.db2.gz PNIMITDHJGCGQZ-CQSZACIVSA-N 2 1 292.492 3.934 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C2=CCCC2)[C@H]2CCC[C@@H]21 ZINC000453405945 331129307 /nfs/dbraw/zinc/12/93/07/331129307.db2.gz SWPKFPIRKKVVHF-IKGGRYGDSA-N 2 1 276.468 3.585 20 0 CHADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccccc1Cl ZINC000453409338 331129727 /nfs/dbraw/zinc/12/97/27/331129727.db2.gz GEVOKXHCIMYTJE-ZDUSSCGKSA-N 2 1 280.843 3.865 20 0 CHADMP CC(C)[C@H]1CCC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453411673 331130020 /nfs/dbraw/zinc/13/00/20/331130020.db2.gz VYEPENQTTRAVNM-HOTGVXAUSA-N 2 1 266.473 3.665 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000453413955 331130065 /nfs/dbraw/zinc/13/00/65/331130065.db2.gz WVNNQGOMSDUQFH-CHWSQXEVSA-N 2 1 292.389 3.572 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(Cl)s1 ZINC000453438276 331131836 /nfs/dbraw/zinc/13/18/36/331131836.db2.gz VTUVADFFRDLCIS-LLVKDONJSA-N 2 1 286.872 3.927 20 0 CHADMP CCCC[N@@H+](CCc1cncn1C)[C@@H](C)c1ccccc1 ZINC000459326637 331276324 /nfs/dbraw/zinc/27/63/24/331276324.db2.gz NDXNNKAIISTGMQ-INIZCTEOSA-N 2 1 285.435 3.826 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1C ZINC000459384840 331279444 /nfs/dbraw/zinc/27/94/44/331279444.db2.gz YEANLFXPJUBEKS-BVBHFADKSA-N 2 1 286.463 3.595 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1C ZINC000459384840 331279445 /nfs/dbraw/zinc/27/94/45/331279445.db2.gz YEANLFXPJUBEKS-BVBHFADKSA-N 2 1 286.463 3.595 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1C ZINC000459384840 331279446 /nfs/dbraw/zinc/27/94/46/331279446.db2.gz YEANLFXPJUBEKS-BVBHFADKSA-N 2 1 286.463 3.595 20 0 CHADMP Cn1c[nH+]cc1CC[NH2+]C(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000459397194 331279933 /nfs/dbraw/zinc/27/99/33/331279933.db2.gz RIQKOHXDAHYBOE-UHFFFAOYSA-N 2 1 299.462 3.785 20 0 CHADMP CCC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCCC1 ZINC000459481646 331284108 /nfs/dbraw/zinc/28/41/08/331284108.db2.gz PNBQQWXORRMUDO-UHFFFAOYSA-N 2 1 264.457 3.563 20 0 CHADMP CC(F)(F)c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000459598467 331290025 /nfs/dbraw/zinc/29/00/25/331290025.db2.gz WOPJGPOZXGSIBC-UHFFFAOYSA-N 2 1 294.389 3.515 20 0 CHADMP Cc1ccc(CC[C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000459722791 331295912 /nfs/dbraw/zinc/29/59/12/331295912.db2.gz BYUFCTLKFHOVEE-IEBWSBKVSA-N 2 1 288.479 3.638 20 0 CHADMP CC[C@@H](C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000459740347 331297320 /nfs/dbraw/zinc/29/73/20/331297320.db2.gz UCSLXBGBHSHFJT-IRXDYDNUSA-N 2 1 274.452 3.502 20 0 CHADMP C[C@H](Cc1cccc(Cl)c1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459774534 331300176 /nfs/dbraw/zinc/30/01/76/331300176.db2.gz JBRAXFKHFUSKDF-CABCVRRESA-N 2 1 294.870 3.593 20 0 CHADMP Cc1ccccc1C1CC([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000459778308 331300551 /nfs/dbraw/zinc/30/05/51/331300551.db2.gz KUOAETLSTVFDGL-AOCRQIFASA-N 2 1 286.463 3.563 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC000488374514 332002591 /nfs/dbraw/zinc/00/25/91/332002591.db2.gz YZFAWFJVHSNYBF-HKUYNNGSSA-N 2 1 286.463 3.787 20 0 CHADMP CC(C)[C@H](C[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1)[NH+]1CCCC1 ZINC000488452792 332010585 /nfs/dbraw/zinc/01/05/85/332010585.db2.gz BNSPHCUOAFZCAX-OWCLPIDISA-N 2 1 298.540 3.617 20 0 CHADMP C[C@H](C[NH+]1CCCCCC1)[NH2+]C1CCC2(CC2)CC1 ZINC000488482999 332013025 /nfs/dbraw/zinc/01/30/25/332013025.db2.gz IECFODKBPJYNOO-OAHLLOKOSA-N 2 1 264.457 3.563 20 0 CHADMP CC(C)C1CC([NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000488509291 332014624 /nfs/dbraw/zinc/01/46/24/332014624.db2.gz VNICXEPIQCPGOD-JUVOFCAFSA-N 2 1 278.484 3.664 20 0 CHADMP CC(C)[C@H]1CCC[N@H+]1CCC[NH+]1CCC[C@H]1C(C)C ZINC000488722388 332022574 /nfs/dbraw/zinc/02/25/74/332022574.db2.gz GSJNYQBQBQQZBG-CALCHBBNSA-N 2 1 266.473 3.617 20 0 CHADMP CC(C)[C@H]1CCC[N@@H+]1CCC[NH+]1CCC[C@H]1C(C)C ZINC000488722388 332022575 /nfs/dbraw/zinc/02/25/75/332022575.db2.gz GSJNYQBQBQQZBG-CALCHBBNSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000488839110 332028382 /nfs/dbraw/zinc/02/83/82/332028382.db2.gz MQXXAAFQBLDOAG-INIZCTEOSA-N 2 1 298.474 3.797 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]3CCC[C@@H]31)CCC2 ZINC000490296990 332086287 /nfs/dbraw/zinc/08/62/87/332086287.db2.gz DRKAFNKWIRXELS-MDNKFWRPSA-N 2 1 298.474 3.835 20 0 CHADMP C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000490308786 332086540 /nfs/dbraw/zinc/08/65/40/332086540.db2.gz QUJDIJVHRMFNEC-KBXCAEBGSA-N 2 1 295.430 3.839 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)[C@H]2C)CC1 ZINC000494924919 332491869 /nfs/dbraw/zinc/49/18/69/332491869.db2.gz VWZYXXKEGSVFMW-GPMSIDNRSA-N 2 1 286.463 3.594 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)cc1 ZINC000495041755 332500761 /nfs/dbraw/zinc/50/07/61/332500761.db2.gz VHFMZFQPAOWTCG-KHSSZTOVSA-N 2 1 283.419 3.876 20 0 CHADMP CC(C)=CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248825479 334318452 /nfs/dbraw/zinc/31/84/52/334318452.db2.gz GAMTZDKQQDQSDI-REPLKXPHSA-N 2 1 284.447 3.738 20 0 CHADMP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000502274478 332652089 /nfs/dbraw/zinc/65/20/89/332652089.db2.gz NBWWSPUHPBYYFP-HOJAQTOUSA-N 2 1 298.474 3.819 20 0 CHADMP Cc1ccoc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000513430622 333018605 /nfs/dbraw/zinc/01/86/05/333018605.db2.gz XDYSSKGUMQSTDQ-QGZVFWFLSA-N 2 1 290.451 3.676 20 0 CHADMP Cc1ccoc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000513430622 333018606 /nfs/dbraw/zinc/01/86/06/333018606.db2.gz XDYSSKGUMQSTDQ-QGZVFWFLSA-N 2 1 290.451 3.676 20 0 CHADMP CC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000309692749 333047479 /nfs/dbraw/zinc/04/74/79/333047479.db2.gz CDBQVJXRANVGJY-IPELMVKDSA-N 2 1 286.463 3.675 20 0 CHADMP CC(C)(C)C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000309887799 333051002 /nfs/dbraw/zinc/05/10/02/333051002.db2.gz AEGLPDWWRKNWED-GOSISDBHSA-N 2 1 288.479 3.924 20 0 CHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccccc2Cl)C1 ZINC000177243804 333055739 /nfs/dbraw/zinc/05/57/39/333055739.db2.gz YIXQTRNJUJTYQA-UONOGXRCSA-N 2 1 280.843 3.723 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccccc2Cl)C1 ZINC000177243804 333055741 /nfs/dbraw/zinc/05/57/41/333055741.db2.gz YIXQTRNJUJTYQA-UONOGXRCSA-N 2 1 280.843 3.723 20 0 CHADMP CC[C@H]([NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)c1c(C)noc1C ZINC000516855099 333084295 /nfs/dbraw/zinc/08/42/95/333084295.db2.gz SUAHCKLUMJPCDO-RCBQFDQVSA-N 2 1 293.455 3.643 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C2CCCCCC2)C1 ZINC000517439399 333099468 /nfs/dbraw/zinc/09/94/68/333099468.db2.gz WVHFOVUHAAVWAL-HOTGVXAUSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1ccc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1F ZINC000520949634 333108144 /nfs/dbraw/zinc/10/81/44/333108144.db2.gz KDHICYUCIKJIAI-GJZGRUSLSA-N 2 1 292.442 3.592 20 0 CHADMP CCCC1CCC([NH2+]CC[N@H+](C)[C@@H](C)CC)CC1 ZINC000217398681 333120876 /nfs/dbraw/zinc/12/08/76/333120876.db2.gz OPZOQAPWQDQPCS-FHERZECASA-N 2 1 254.462 3.665 20 0 CHADMP CCCC1CCC([NH2+]CC[N@@H+](C)[C@@H](C)CC)CC1 ZINC000217398681 333120877 /nfs/dbraw/zinc/12/08/77/333120877.db2.gz OPZOQAPWQDQPCS-FHERZECASA-N 2 1 254.462 3.665 20 0 CHADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000219151414 333142776 /nfs/dbraw/zinc/14/27/76/333142776.db2.gz OXANQHIIDSFOJK-ZDUSSCGKSA-N 2 1 296.405 3.736 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C/C=C\c1ccccc1 ZINC000220561092 333167429 /nfs/dbraw/zinc/16/74/29/333167429.db2.gz DIIHJBIJTVGZLU-PJCWUCBCSA-N 2 1 272.436 3.554 20 0 CHADMP Cc1cccc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c1C ZINC000521818407 333189821 /nfs/dbraw/zinc/18/98/21/333189821.db2.gz LABQUJDZMLBGAH-INIZCTEOSA-N 2 1 288.479 3.905 20 0 CHADMP CCCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000222930578 333202330 /nfs/dbraw/zinc/20/23/30/333202330.db2.gz QFXNHEVRGWYZHL-RLFYNMQTSA-N 2 1 274.452 3.772 20 0 CHADMP CCCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000222930578 333202332 /nfs/dbraw/zinc/20/23/32/333202332.db2.gz QFXNHEVRGWYZHL-RLFYNMQTSA-N 2 1 274.452 3.772 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC2CC2)c2ccccc2)C1 ZINC000575850825 335123541 /nfs/dbraw/zinc/12/35/41/335123541.db2.gz OUJIQYLUJKPCQI-MJGOQNOKSA-N 2 1 286.463 3.849 20 0 CHADMP CCC[N@H+](CC)CC[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000228828287 333297653 /nfs/dbraw/zinc/29/76/53/333297653.db2.gz PPAMWVNNLPNKCK-UHFFFAOYSA-N 2 1 274.452 3.563 20 0 CHADMP CCC[N@@H+](CC)CC[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000228828287 333297654 /nfs/dbraw/zinc/29/76/54/333297654.db2.gz PPAMWVNNLPNKCK-UHFFFAOYSA-N 2 1 274.452 3.563 20 0 CHADMP CC(C)(C)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000250368005 333304736 /nfs/dbraw/zinc/30/47/36/333304736.db2.gz QZAFOWNHQHTNAD-KGLIPLIRSA-N 2 1 292.492 3.762 20 0 CHADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000037229429 333519844 /nfs/dbraw/zinc/51/98/44/333519844.db2.gz OQOHELMFHUGXDQ-OAHLLOKOSA-N 2 1 286.419 3.878 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc2ccccc21 ZINC000530218317 333528715 /nfs/dbraw/zinc/52/87/15/333528715.db2.gz IQONKTJIOGQMPD-KBXCAEBGSA-N 2 1 280.415 3.775 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1(C)CC1 ZINC000125167340 333564721 /nfs/dbraw/zinc/56/47/21/333564721.db2.gz QRZQRSPXLKXPHY-JKSUJKDBSA-N 2 1 286.463 3.990 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH+](CC(C)C)CC(C)C ZINC000125459809 333567186 /nfs/dbraw/zinc/56/71/86/333567186.db2.gz DRQJFARIRPTIMU-UHFFFAOYSA-N 2 1 265.445 3.586 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076004641 334066245 /nfs/dbraw/zinc/06/62/45/334066245.db2.gz OOMOBXQBEPQMLP-QAPCUYQASA-N 2 1 292.442 3.941 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076004641 334066246 /nfs/dbraw/zinc/06/62/46/334066246.db2.gz OOMOBXQBEPQMLP-QAPCUYQASA-N 2 1 292.442 3.941 20 0 CHADMP COc1cccc([C@@H](C)[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000079465000 334155024 /nfs/dbraw/zinc/15/50/24/334155024.db2.gz GVYUFSDKAQNGDD-WBVHZDCISA-N 2 1 290.451 3.562 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000549033977 334182893 /nfs/dbraw/zinc/18/28/93/334182893.db2.gz NSQXROVRPJHERK-JUSBFGHESA-N 2 1 298.474 3.675 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000549033977 334182894 /nfs/dbraw/zinc/18/28/94/334182894.db2.gz NSQXROVRPJHERK-JUSBFGHESA-N 2 1 298.474 3.675 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1C[C@@H](C)c2c1cccc2C ZINC000245506015 334198361 /nfs/dbraw/zinc/19/83/61/334198361.db2.gz NBTSRKQPMIVBFS-JCKWVBRZSA-N 2 1 297.446 3.974 20 0 CHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000245558857 334203675 /nfs/dbraw/zinc/20/36/75/334203675.db2.gz LIPSRTIJZZDRDZ-CVEARBPZSA-N 2 1 292.492 3.835 20 0 CHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000245558857 334203677 /nfs/dbraw/zinc/20/36/77/334203677.db2.gz LIPSRTIJZZDRDZ-CVEARBPZSA-N 2 1 292.492 3.835 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000245558857 334203678 /nfs/dbraw/zinc/20/36/78/334203678.db2.gz LIPSRTIJZZDRDZ-CVEARBPZSA-N 2 1 292.492 3.835 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000245558857 334203679 /nfs/dbraw/zinc/20/36/79/334203679.db2.gz LIPSRTIJZZDRDZ-CVEARBPZSA-N 2 1 292.492 3.835 20 0 CHADMP CC[N@H+]1CC[C@H](N(C)Cc2cccc(F)c2Cl)C[C@@H]1C ZINC000549865168 334207323 /nfs/dbraw/zinc/20/73/23/334207323.db2.gz CQTQEMZWUYKSJQ-JSGCOSHPSA-N 2 1 298.833 3.784 20 0 CHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)CC1 ZINC000550199907 334215744 /nfs/dbraw/zinc/21/57/44/334215744.db2.gz WYTBRWQHGJFIFX-INIZCTEOSA-N 2 1 292.854 3.504 20 0 CHADMP Cc1cc(C)c(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000245748853 334217306 /nfs/dbraw/zinc/21/73/06/334217306.db2.gz NKUYYGHEQJMJIO-FUHWJXTLSA-N 2 1 274.452 3.526 20 0 CHADMP Cc1cc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000245748853 334217308 /nfs/dbraw/zinc/21/73/08/334217308.db2.gz NKUYYGHEQJMJIO-FUHWJXTLSA-N 2 1 274.452 3.526 20 0 CHADMP Cc1cc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1C ZINC000245748853 334217310 /nfs/dbraw/zinc/21/73/10/334217310.db2.gz NKUYYGHEQJMJIO-FUHWJXTLSA-N 2 1 274.452 3.526 20 0 CHADMP Cc1cc(C)c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1C ZINC000245748853 334217311 /nfs/dbraw/zinc/21/73/11/334217311.db2.gz NKUYYGHEQJMJIO-FUHWJXTLSA-N 2 1 274.452 3.526 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]CC2CCCC2)C[C@@H]1c1ccccc1 ZINC000550621565 334225451 /nfs/dbraw/zinc/22/54/51/334225451.db2.gz BIQWBAPECXCWNR-ZWKOTPCHSA-N 2 1 272.436 3.602 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC2CCCC2)C[C@@H]1c1ccccc1 ZINC000550621565 334225452 /nfs/dbraw/zinc/22/54/52/334225452.db2.gz BIQWBAPECXCWNR-ZWKOTPCHSA-N 2 1 272.436 3.602 20 0 CHADMP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)o1 ZINC000550619076 334225554 /nfs/dbraw/zinc/22/55/54/334225554.db2.gz KHOSTAGNECJQOX-HKUYNNGSSA-N 2 1 298.430 3.556 20 0 CHADMP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)o1 ZINC000550619076 334225556 /nfs/dbraw/zinc/22/55/56/334225556.db2.gz KHOSTAGNECJQOX-HKUYNNGSSA-N 2 1 298.430 3.556 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC2(C)C)C[C@@H]1c1ccccc1 ZINC000550680205 334226766 /nfs/dbraw/zinc/22/67/66/334226766.db2.gz JDLZLDJRHYLNSA-RCCFBDPRSA-N 2 1 286.463 3.990 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC2(C)C)C[C@@H]1c1ccccc1 ZINC000550680205 334226767 /nfs/dbraw/zinc/22/67/67/334226767.db2.gz JDLZLDJRHYLNSA-RCCFBDPRSA-N 2 1 286.463 3.990 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCC(C)(C)C2)C[C@@H]1c1ccccc1 ZINC000550702698 334227353 /nfs/dbraw/zinc/22/73/53/334227353.db2.gz AHWIUZLCBYKOBH-OKZBNKHCSA-N 2 1 286.463 3.990 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCC(C)(C)C2)C[C@@H]1c1ccccc1 ZINC000550702698 334227354 /nfs/dbraw/zinc/22/73/54/334227354.db2.gz AHWIUZLCBYKOBH-OKZBNKHCSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000247018965 334274005 /nfs/dbraw/zinc/27/40/05/334274005.db2.gz XTZWKGISYXFYJC-IMFGXOCKSA-N 2 1 298.474 3.739 20 0 CHADMP C[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000247018965 334274008 /nfs/dbraw/zinc/27/40/08/334274008.db2.gz XTZWKGISYXFYJC-IMFGXOCKSA-N 2 1 298.474 3.739 20 0 CHADMP C[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000247018965 334274010 /nfs/dbraw/zinc/27/40/10/334274010.db2.gz XTZWKGISYXFYJC-IMFGXOCKSA-N 2 1 298.474 3.739 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000246145936 334236468 /nfs/dbraw/zinc/23/64/68/334236468.db2.gz SLBAPKIMAPXUNV-VQIMIIECSA-N 2 1 286.463 3.848 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000246145927 334236546 /nfs/dbraw/zinc/23/65/46/334236546.db2.gz SLBAPKIMAPXUNV-QFBILLFUSA-N 2 1 286.463 3.848 20 0 CHADMP CC(C)C1(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000551087046 334238255 /nfs/dbraw/zinc/23/82/55/334238255.db2.gz LDOKMWWNLDCPPQ-ROUUACIJSA-N 2 1 286.463 3.848 20 0 CHADMP CC(C)C1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000551087046 334238256 /nfs/dbraw/zinc/23/82/56/334238256.db2.gz LDOKMWWNLDCPPQ-ROUUACIJSA-N 2 1 286.463 3.848 20 0 CHADMP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247079983 334275131 /nfs/dbraw/zinc/27/51/31/334275131.db2.gz NGHJARKRNMOHHV-CRAIPNDOSA-N 2 1 290.426 3.837 20 0 CHADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247079983 334275132 /nfs/dbraw/zinc/27/51/32/334275132.db2.gz NGHJARKRNMOHHV-CRAIPNDOSA-N 2 1 290.426 3.837 20 0 CHADMP CCC[C@H](C)[C@H](CC)[NH2+]C[C@H]1CC[N@@H+](CCC)C1 ZINC000247097449 334275623 /nfs/dbraw/zinc/27/56/23/334275623.db2.gz PVDFKXUILUNPKZ-XHSDSOJGSA-N 2 1 254.462 3.523 20 0 CHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC2(C)C)CC1 ZINC000551530885 334252778 /nfs/dbraw/zinc/25/27/78/334252778.db2.gz ZFOWJOHFGNZNRH-CRAIPNDOSA-N 2 1 286.463 3.990 20 0 CHADMP Cc1sccc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000551948320 334267357 /nfs/dbraw/zinc/26/73/57/334267357.db2.gz SRSDGZUUCUFUKB-UHFFFAOYSA-N 2 1 280.481 3.609 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)c2cccc(C)c2)C1 ZINC000247521403 334284132 /nfs/dbraw/zinc/28/41/32/334284132.db2.gz NKISXFISDZQGOS-SJORKVTESA-N 2 1 274.452 3.720 20 0 CHADMP C[C@@H]([C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1CCCCC1 ZINC000247985021 334292932 /nfs/dbraw/zinc/29/29/32/334292932.db2.gz ITGZBPANCNWTJS-WBTNSWJXSA-N 2 1 266.473 3.664 20 0 CHADMP C[C@@H]([C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CCCCC1 ZINC000247985021 334292934 /nfs/dbraw/zinc/29/29/34/334292934.db2.gz ITGZBPANCNWTJS-WBTNSWJXSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000248467455 334303228 /nfs/dbraw/zinc/30/32/28/334303228.db2.gz STOUPHCMHDOUIF-CVEARBPZSA-N 2 1 274.452 3.755 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCc3ccccc32)[C@H]2CCC[C@H]21 ZINC000552239558 334307175 /nfs/dbraw/zinc/30/71/75/334307175.db2.gz XIWMNJJQNBZMDL-OJAHFUOMSA-N 2 1 298.474 3.569 20 0 CHADMP CC(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000552247721 334308267 /nfs/dbraw/zinc/30/82/67/334308267.db2.gz YGDQLFSZYRNRKZ-IPMKNSEASA-N 2 1 286.463 3.772 20 0 CHADMP CC(C)Cc1cccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000552276013 334311579 /nfs/dbraw/zinc/31/15/79/334311579.db2.gz HYKVXNXADSBAAP-INIZCTEOSA-N 2 1 286.463 3.798 20 0 CHADMP CC(C)Cc1cccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000552276014 334311622 /nfs/dbraw/zinc/31/16/22/334311622.db2.gz HYKVXNXADSBAAP-MRXNPFEDSA-N 2 1 286.463 3.798 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2ccccc2o1 ZINC000248790813 334317581 /nfs/dbraw/zinc/31/75/81/334317581.db2.gz DILJQEMXINZUNJ-IMJJTQAJSA-N 2 1 284.403 3.710 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc2ccccc2o1 ZINC000248790813 334317583 /nfs/dbraw/zinc/31/75/83/334317583.db2.gz DILJQEMXINZUNJ-IMJJTQAJSA-N 2 1 284.403 3.710 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000552338501 334318115 /nfs/dbraw/zinc/31/81/15/334318115.db2.gz GHXDKMVUKPWYRK-BQFCYCMXSA-N 2 1 274.452 3.643 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000552338501 334318116 /nfs/dbraw/zinc/31/81/16/334318116.db2.gz GHXDKMVUKPWYRK-BQFCYCMXSA-N 2 1 274.452 3.643 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC[C@H](C)c2ccccc2)C1 ZINC000248830182 334319079 /nfs/dbraw/zinc/31/90/79/334319079.db2.gz HDFOYQUGVGNRRS-ZWKOTPCHSA-N 2 1 288.479 3.844 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCC12CCCC2 ZINC000249030548 334325118 /nfs/dbraw/zinc/32/51/18/334325118.db2.gz FGAUUFKUQNEDTI-SJORKVTESA-N 2 1 278.484 3.953 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)c2cccc(F)c2)C1 ZINC000249194660 334329776 /nfs/dbraw/zinc/32/97/76/334329776.db2.gz QBFSEBPVEQRNBC-WMLDXEAASA-N 2 1 278.415 3.598 20 0 CHADMP CCCC[C@H](CC)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000249302386 334331731 /nfs/dbraw/zinc/33/17/31/334331731.db2.gz HIBMXOUOPCMCSF-FXUDXRNXSA-N 2 1 254.462 3.521 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000089541547 334346400 /nfs/dbraw/zinc/34/64/00/334346400.db2.gz NVWDVFDORMXLII-KEYYUXOJSA-N 2 1 294.870 3.591 20 0 CHADMP CC(C)(C)[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000250695672 334348732 /nfs/dbraw/zinc/34/87/32/334348732.db2.gz LXFPMWHMQPAMNU-FGTMMUONSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC(C)(C)C1 ZINC000251762130 334369116 /nfs/dbraw/zinc/36/91/16/334369116.db2.gz DQWBEKCEUGVCSM-GTGZTVCESA-N 2 1 278.484 3.806 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC(C)(C)C1 ZINC000251762130 334369117 /nfs/dbraw/zinc/36/91/17/334369117.db2.gz DQWBEKCEUGVCSM-GTGZTVCESA-N 2 1 278.484 3.806 20 0 CHADMP C[C@H]1C[N@H+](Cc2sc3ccccc3c2Cl)CC[C@H]1[NH3+] ZINC000251803113 334370117 /nfs/dbraw/zinc/37/01/17/334370117.db2.gz OARHXENBDPLLFJ-CMPLNLGQSA-N 2 1 294.851 3.724 20 0 CHADMP C[C@H]1C[N@@H+](Cc2sc3ccccc3c2Cl)CC[C@H]1[NH3+] ZINC000251803113 334370118 /nfs/dbraw/zinc/37/01/18/334370118.db2.gz OARHXENBDPLLFJ-CMPLNLGQSA-N 2 1 294.851 3.724 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000252211586 334377008 /nfs/dbraw/zinc/37/70/08/334377008.db2.gz YGJAPLBNHYHMIN-WCXIOVBPSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000252211586 334377009 /nfs/dbraw/zinc/37/70/09/334377009.db2.gz YGJAPLBNHYHMIN-WCXIOVBPSA-N 2 1 266.473 3.664 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252697236 334385620 /nfs/dbraw/zinc/38/56/20/334385620.db2.gz GEKLZVNQBKDHPD-RBSFLKMASA-N 2 1 268.404 3.570 20 0 CHADMP Cc1ccc2oc(C[NH2+]C3CC[NH+](CC4CC4)CC3)cc2c1 ZINC000553615974 334393453 /nfs/dbraw/zinc/39/34/53/334393453.db2.gz TWRPRNHNXWCMOX-UHFFFAOYSA-N 2 1 298.430 3.705 20 0 CHADMP C[C@@H]1C[C@H]([N@@H+](C)CC2(C)CC2)CCN1Cc1ccccc1 ZINC000576528229 335215563 /nfs/dbraw/zinc/21/55/63/335215563.db2.gz UKGHYPRQXZEGAT-SJLPKXTDSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)CC2(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000576528229 335215564 /nfs/dbraw/zinc/21/55/64/335215564.db2.gz UKGHYPRQXZEGAT-SJLPKXTDSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)CC2(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000576528229 335215565 /nfs/dbraw/zinc/21/55/65/335215565.db2.gz UKGHYPRQXZEGAT-SJLPKXTDSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H]1C[C@H]([N@H+](C)CC2(C)CC2)CC[NH+]1Cc1ccccc1 ZINC000576528229 335215567 /nfs/dbraw/zinc/21/55/67/335215567.db2.gz UKGHYPRQXZEGAT-SJLPKXTDSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H]1C[C@H]([N@@H+](C)CC2(C)CC2)CC[NH+]1Cc1ccccc1 ZINC000576528229 335215568 /nfs/dbraw/zinc/21/55/68/335215568.db2.gz UKGHYPRQXZEGAT-SJLPKXTDSA-N 2 1 286.463 3.771 20 0 CHADMP F[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000577177050 335316473 /nfs/dbraw/zinc/31/64/73/335316473.db2.gz AKQQXVOZRZOPMA-FUHWJXTLSA-N 2 1 290.426 3.521 20 0 CHADMP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccsc1 ZINC000184501834 335927428 /nfs/dbraw/zinc/92/74/28/335927428.db2.gz IYUBWXPFCPJELF-UONOGXRCSA-N 2 1 266.454 3.663 20 0 CHADMP CC(C)Cc1cccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)c1 ZINC000579962124 335938017 /nfs/dbraw/zinc/93/80/17/335938017.db2.gz VILMXCZTCVQCEB-HNNXBMFYSA-N 2 1 274.452 3.630 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCCC12CC2 ZINC000581142134 336015175 /nfs/dbraw/zinc/01/51/75/336015175.db2.gz IHQZATRDFFSWAZ-GOSISDBHSA-N 2 1 286.463 3.949 20 0 CHADMP CC(C)C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccccc1 ZINC000581377914 336064535 /nfs/dbraw/zinc/06/45/35/336064535.db2.gz SUICANJBSLYOKZ-GOSISDBHSA-N 2 1 285.435 3.730 20 0 CHADMP CC1CC([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000381991425 336079715 /nfs/dbraw/zinc/07/97/15/336079715.db2.gz PDZWIMZQXICSLW-CUYAVPTFSA-N 2 1 286.463 3.677 20 0 CHADMP CC[N@H+](CCCc1c[nH+]cn1C)[C@@H](C)c1ccc(F)cc1 ZINC000581674376 336126362 /nfs/dbraw/zinc/12/63/62/336126362.db2.gz CDLAFRILZJWVLL-AWEZNQCLSA-N 2 1 289.398 3.575 20 0 CHADMP CC[N@@H+](CCCc1c[nH+]cn1C)[C@@H](C)c1ccc(F)cc1 ZINC000581674376 336126363 /nfs/dbraw/zinc/12/63/63/336126363.db2.gz CDLAFRILZJWVLL-AWEZNQCLSA-N 2 1 289.398 3.575 20 0 CHADMP CC[C@H](c1ccncc1)[N@@H+](C)CCCc1ccc(C)nc1 ZINC000581852182 336151681 /nfs/dbraw/zinc/15/16/81/336151681.db2.gz VAWZZXBURHPJKE-GOSISDBHSA-N 2 1 283.419 3.801 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000386687380 336177274 /nfs/dbraw/zinc/17/72/74/336177274.db2.gz KNQOGGBYOBBQSR-OGWOLHLISA-N 2 1 280.415 3.585 20 0 CHADMP CC[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1cccc(Cl)c1 ZINC000340373360 521158590 /nfs/dbraw/zinc/15/85/90/521158590.db2.gz MTTULIUQVJZACM-INIZCTEOSA-N 2 1 280.843 3.646 20 0 CHADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1cccc(Cl)c1 ZINC000340373360 521158599 /nfs/dbraw/zinc/15/85/99/521158599.db2.gz MTTULIUQVJZACM-INIZCTEOSA-N 2 1 280.843 3.646 20 0 CHADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1cccc(Cl)c1 ZINC000340373360 521158607 /nfs/dbraw/zinc/15/86/07/521158607.db2.gz MTTULIUQVJZACM-INIZCTEOSA-N 2 1 280.843 3.646 20 0 CHADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1cccc(Cl)c1 ZINC000340373360 521158620 /nfs/dbraw/zinc/15/86/20/521158620.db2.gz MTTULIUQVJZACM-INIZCTEOSA-N 2 1 280.843 3.646 20 0 CHADMP C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)cs2)CC[C@@H]1[NH3+] ZINC000347041432 533949686 /nfs/dbraw/zinc/94/96/86/533949686.db2.gz KVZDQQHXPYQCHB-GUYCJALGSA-N 2 1 286.444 3.584 20 0 CHADMP CC(C)(C)[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000127865869 518967022 /nfs/dbraw/zinc/96/70/22/518967022.db2.gz LXFPMWHMQPAMNU-KZNAEPCWSA-N 2 1 286.463 3.990 20 0 CHADMP CC(C)SCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340398176 519787669 /nfs/dbraw/zinc/78/76/69/519787669.db2.gz SZTSXCZPQLVGED-SJORKVTESA-N 2 1 292.492 3.553 20 0 CHADMP CC(C)SCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340398176 519787670 /nfs/dbraw/zinc/78/76/70/519787670.db2.gz SZTSXCZPQLVGED-SJORKVTESA-N 2 1 292.492 3.553 20 0 CHADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000227057416 519839881 /nfs/dbraw/zinc/83/98/81/519839881.db2.gz XTZFYPMPALEZND-GRDNDAEWSA-N 2 1 260.425 3.540 20 0 CHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2nccc3ccccc32)C1 ZINC000289661134 519862063 /nfs/dbraw/zinc/86/20/63/519862063.db2.gz IRKIQUVPHQNJMC-CVEARBPZSA-N 2 1 297.446 3.617 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2nccc3ccccc32)C1 ZINC000289661134 519862065 /nfs/dbraw/zinc/86/20/65/519862065.db2.gz IRKIQUVPHQNJMC-CVEARBPZSA-N 2 1 297.446 3.617 20 0 CHADMP CC1(C)[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@H]1c1ccccc1 ZINC000122816853 520663449 /nfs/dbraw/zinc/66/34/49/520663449.db2.gz FVNLYACSQJCZTF-RBUKOAKNSA-N 2 1 298.474 3.785 20 0 CHADMP CC1(C)[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000122816984 520664280 /nfs/dbraw/zinc/66/42/80/520664280.db2.gz FVNLYACSQJCZTF-RTBURBONSA-N 2 1 298.474 3.785 20 0 CHADMP CCC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000037649493 520776996 /nfs/dbraw/zinc/77/69/96/520776996.db2.gz FWZMQBHBZBPWAT-MAUKXSAKSA-N 2 1 272.436 3.602 20 0 CHADMP CCC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000037140844 521153712 /nfs/dbraw/zinc/15/37/12/521153712.db2.gz PFIGEIFSMHYHPV-SFHVURJKSA-N 2 1 272.436 3.744 20 0 CHADMP CCSc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000290354470 521756756 /nfs/dbraw/zinc/75/67/56/521756756.db2.gz GIAODDJZMFAWTG-RHSMWYFYSA-N 2 1 292.492 3.571 20 0 CHADMP CCSc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000290354470 521756766 /nfs/dbraw/zinc/75/67/66/521756766.db2.gz GIAODDJZMFAWTG-RHSMWYFYSA-N 2 1 292.492 3.571 20 0 CHADMP CCSc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000290354470 521756773 /nfs/dbraw/zinc/75/67/73/521756773.db2.gz GIAODDJZMFAWTG-RHSMWYFYSA-N 2 1 292.492 3.571 20 0 CHADMP CCSc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000290354470 521756776 /nfs/dbraw/zinc/75/67/76/521756776.db2.gz GIAODDJZMFAWTG-RHSMWYFYSA-N 2 1 292.492 3.571 20 0 CHADMP C[NH+](CCCCC[N@H+](C)Cc1ccco1)Cc1ccco1 ZINC000077247290 522726310 /nfs/dbraw/zinc/72/63/10/522726310.db2.gz DKHPTQMWILAMKV-UHFFFAOYSA-N 2 1 290.407 3.607 20 0 CHADMP C[N@@H+](Cc1ccccc1-c1ccccc1)C[C@]1(C)CC[NH2+]C1 ZINC000262064507 523356174 /nfs/dbraw/zinc/35/61/74/523356174.db2.gz RLQJQDZWILAZIW-HXUWFJFHSA-N 2 1 294.442 3.785 20 0 CHADMP CC[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@H]1c1ccccc1 ZINC000246551073 523438077 /nfs/dbraw/zinc/43/80/77/523438077.db2.gz TUSUALKRJMMNPO-IEBWSBKVSA-N 2 1 286.463 3.502 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]CCC2(C)CC2)C[C@@H]1c1ccccc1 ZINC000340378076 523967675 /nfs/dbraw/zinc/96/76/75/523967675.db2.gz NSLMCAWPTPVOBJ-IAGOWNOFSA-N 2 1 272.436 3.602 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CCC2(C)CC2)C[C@@H]1c1ccccc1 ZINC000340378076 523967681 /nfs/dbraw/zinc/96/76/81/523967681.db2.gz NSLMCAWPTPVOBJ-IAGOWNOFSA-N 2 1 272.436 3.602 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000037140917 524023789 /nfs/dbraw/zinc/02/37/89/524023789.db2.gz ITXRKWPZZJWPIS-CQSZACIVSA-N 2 1 272.436 3.526 20 0 CHADMP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000130145193 524047000 /nfs/dbraw/zinc/04/70/00/524047000.db2.gz SWPJMDRTXBSCHN-BMGDILEWSA-N 2 1 272.436 3.526 20 0 CHADMP Cc1cccc(CC[C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000040500728 524365005 /nfs/dbraw/zinc/36/50/05/524365005.db2.gz YRZSDEKGNDLDEJ-INIZCTEOSA-N 2 1 286.463 3.533 20 0 CHADMP C[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC000127995785 524481498 /nfs/dbraw/zinc/48/14/98/524481498.db2.gz NMMPKPVQVCEODL-TZUVLKIQSA-N 2 1 290.426 3.534 20 0 CHADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)c2ccc3ccccc3c2)C1 ZINC000226331172 524845797 /nfs/dbraw/zinc/84/57/97/524845797.db2.gz MLSPGLUPEYHFHD-YZVOILCLSA-N 2 1 282.431 3.960 20 0 CHADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000280310614 525322935 /nfs/dbraw/zinc/32/29/35/525322935.db2.gz ORONSHGJNBYESD-KGLIPLIRSA-N 2 1 292.854 3.684 20 0 CHADMP Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000157482116 525417337 /nfs/dbraw/zinc/41/73/37/525417337.db2.gz XMZUCWAPIAIUSZ-MORSLUCNSA-N 2 1 266.388 3.790 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)s1 ZINC000275584177 525421758 /nfs/dbraw/zinc/42/17/58/525421758.db2.gz PFMSQWFCIABUIU-WDEREUQCSA-N 2 1 295.839 3.511 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2CC(c3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC000157757499 525435245 /nfs/dbraw/zinc/43/52/45/525435245.db2.gz JCVPKKCBBHZRMY-AFVSCTSBSA-N 2 1 292.854 3.658 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2CC(c3cccc(Cl)c3)C2)CC[N@H+]1C ZINC000157757499 525435256 /nfs/dbraw/zinc/43/52/56/525435256.db2.gz JCVPKKCBBHZRMY-AFVSCTSBSA-N 2 1 292.854 3.658 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C3CCC3)cc2)CC[N@H+]1C ZINC000277285137 525441838 /nfs/dbraw/zinc/44/18/38/525441838.db2.gz SXKRIDXUQYEIAK-RDTXWAMCSA-N 2 1 272.436 3.526 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1csc(Cl)c1 ZINC000279054119 525506578 /nfs/dbraw/zinc/50/65/78/525506578.db2.gz YHKUNUXTCDOAHU-GHMZBOCLSA-N 2 1 295.839 3.511 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)o1 ZINC000157895200 525726065 /nfs/dbraw/zinc/72/60/65/525726065.db2.gz JKMCDQOPGSZGCJ-GOEBONIOSA-N 2 1 278.440 3.893 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000157476129 525948465 /nfs/dbraw/zinc/94/84/65/525948465.db2.gz CPDIPBBWQSHQKA-VHSSKADRSA-N 2 1 266.388 3.790 20 0 CHADMP Cc1ccc([C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C2CC2)cc1 ZINC000037648847 525970199 /nfs/dbraw/zinc/97/01/99/525970199.db2.gz UODNGVXQSFUFQB-KXBFYZLASA-N 2 1 284.447 3.520 20 0 CHADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@@H]1CCCCc3ccccc31)C2 ZINC000275548544 526539158 /nfs/dbraw/zinc/53/91/58/526539158.db2.gz NEGQLCOQNYUVQR-CRAIPNDOSA-N 2 1 295.430 3.503 20 0 CHADMP Cc1sccc1C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000339320885 526914772 /nfs/dbraw/zinc/91/47/72/526914772.db2.gz MUVUAFQIIPOQQC-HNNXBMFYSA-N 2 1 280.481 3.514 20 0 CHADMP Clc1cc2c(s1)CC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157540146 526931965 /nfs/dbraw/zinc/93/19/65/526931965.db2.gz NVVIDNJEPDJKDD-LOWVWBTDSA-N 2 1 296.867 3.605 20 0 CHADMP Clc1cc2c(s1)CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157540146 526931968 /nfs/dbraw/zinc/93/19/68/526931968.db2.gz NVVIDNJEPDJKDD-LOWVWBTDSA-N 2 1 296.867 3.605 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1ccccc1C ZINC000127312609 527410335 /nfs/dbraw/zinc/41/03/35/527410335.db2.gz DGNJPEQATFBBFA-HNNXBMFYSA-N 2 1 271.408 3.583 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1ccccc1C ZINC000127312609 527410337 /nfs/dbraw/zinc/41/03/37/527410337.db2.gz DGNJPEQATFBBFA-HNNXBMFYSA-N 2 1 271.408 3.583 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000275846604 527420213 /nfs/dbraw/zinc/42/02/13/527420213.db2.gz VOLVPLBJWQNISJ-ZDUSSCGKSA-N 2 1 291.826 3.628 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](Cc1ccc(C)cc1)C1CC1 ZINC000268850055 527421793 /nfs/dbraw/zinc/42/17/93/527421793.db2.gz KBAAUHJKWXLQRU-LJQANCHMSA-N 2 1 297.446 3.501 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(C)cc(Cl)c1 ZINC000339234960 527438819 /nfs/dbraw/zinc/43/88/19/527438819.db2.gz CXPKSLYJYRWMOR-ZDUSSCGKSA-N 2 1 291.826 3.579 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000131192060 527447972 /nfs/dbraw/zinc/44/79/72/527447972.db2.gz FIBGBYJXISHKEG-MNEFBYGVSA-N 2 1 297.446 3.754 20 0 CHADMP CC(C)CC(CC(C)C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352769684 527682846 /nfs/dbraw/zinc/68/28/46/527682846.db2.gz ITCPQDFMYXPQSJ-UHFFFAOYSA-N 2 1 297.512 3.755 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3ccccc3o2)C[C@H]1C ZINC000353748688 527755968 /nfs/dbraw/zinc/75/59/68/527755968.db2.gz CPLSGDGDVGTBLN-GDBMZVCRSA-N 2 1 286.419 3.737 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3ccccc3o2)C[C@H]1C ZINC000353748688 527755974 /nfs/dbraw/zinc/75/59/74/527755974.db2.gz CPLSGDGDVGTBLN-GDBMZVCRSA-N 2 1 286.419 3.737 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3ccccc3o2)C[C@H]1C ZINC000353748688 527755977 /nfs/dbraw/zinc/75/59/77/527755977.db2.gz CPLSGDGDVGTBLN-GDBMZVCRSA-N 2 1 286.419 3.737 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3ccccc3o2)C[C@H]1C ZINC000353748688 527755981 /nfs/dbraw/zinc/75/59/81/527755981.db2.gz CPLSGDGDVGTBLN-GDBMZVCRSA-N 2 1 286.419 3.737 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3cccnc32)C[C@H]1C ZINC000353746942 527756248 /nfs/dbraw/zinc/75/62/48/527756248.db2.gz LXSSLXJKRPCUDC-CRAIPNDOSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3cccnc32)C[C@H]1C ZINC000353746942 527756255 /nfs/dbraw/zinc/75/62/55/527756255.db2.gz LXSSLXJKRPCUDC-CRAIPNDOSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3cccnc32)C[C@H]1C ZINC000353746942 527756260 /nfs/dbraw/zinc/75/62/60/527756260.db2.gz LXSSLXJKRPCUDC-CRAIPNDOSA-N 2 1 297.446 3.539 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C(F)F)c2)C[C@H]1C ZINC000348057847 527835249 /nfs/dbraw/zinc/83/52/49/527835249.db2.gz UESBDFCYUIVEII-CJNGLKHVSA-N 2 1 296.405 3.929 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C(F)F)c2)C[C@H]1C ZINC000348057847 527835253 /nfs/dbraw/zinc/83/52/53/527835253.db2.gz UESBDFCYUIVEII-CJNGLKHVSA-N 2 1 296.405 3.929 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C(F)F)c2)C[C@H]1C ZINC000348057847 527835257 /nfs/dbraw/zinc/83/52/57/527835257.db2.gz UESBDFCYUIVEII-CJNGLKHVSA-N 2 1 296.405 3.929 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C(F)F)c2)C[C@H]1C ZINC000348057847 527835264 /nfs/dbraw/zinc/83/52/64/527835264.db2.gz UESBDFCYUIVEII-CJNGLKHVSA-N 2 1 296.405 3.929 20 0 CHADMP CC(C)c1cnc(C[N@H+](CCC[NH3+])CC2CCCC2)s1 ZINC000352546454 528214138 /nfs/dbraw/zinc/21/41/38/528214138.db2.gz VKPUVFPFWLCEIG-UHFFFAOYSA-N 2 1 295.496 3.608 20 0 CHADMP CC(C)c1cnc(C[N@@H+](CCC[NH3+])CC2CCCC2)s1 ZINC000352546454 528214143 /nfs/dbraw/zinc/21/41/43/528214143.db2.gz VKPUVFPFWLCEIG-UHFFFAOYSA-N 2 1 295.496 3.608 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000192923221 529175356 /nfs/dbraw/zinc/17/53/56/529175356.db2.gz YQERAZFTIJUATM-ZWKOTPCHSA-N 2 1 274.452 3.533 20 0 CHADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c(C)s1 ZINC000623347605 1117839080 /nfs/dbraw/zinc/83/90/80/1117839080.db2.gz FSWGCUWDIFEFGQ-JSGCOSHPSA-N 2 1 280.481 3.888 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)C2CCCCC2)CC[N@H+]1C ZINC000179548103 1117907843 /nfs/dbraw/zinc/90/78/43/1117907843.db2.gz TYIPIDAJCXYVMA-GOEBONIOSA-N 2 1 266.473 3.665 20 0 CHADMP FC(F)(F)CCCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000154381072 1119310883 /nfs/dbraw/zinc/31/08/83/1119310883.db2.gz JCVMYNVOYLNFAJ-AWEZNQCLSA-N 2 1 292.389 3.527 20 0 CHADMP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000132099457 1125498789 /nfs/dbraw/zinc/49/87/89/1125498789.db2.gz XRVCLISFGUNGEG-CQSZACIVSA-N 2 1 296.455 3.540 20 0 CHADMP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000132099670 1125498957 /nfs/dbraw/zinc/49/89/57/1125498957.db2.gz XRVCLISFGUNGEG-AWEZNQCLSA-N 2 1 296.455 3.540 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)s1 ZINC000414172571 1119926249 /nfs/dbraw/zinc/92/62/49/1119926249.db2.gz FMCVAOCRNVDJKY-NEPJUHHUSA-N 2 1 286.872 3.784 20 0 CHADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c(Cl)c1 ZINC000715550629 1120110683 /nfs/dbraw/zinc/11/06/83/1120110683.db2.gz BWPUDCMXWUTUDV-HUUCEWRRSA-N 2 1 280.843 3.611 20 0 CHADMP CC(C)=CCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467859 1120981912 /nfs/dbraw/zinc/98/19/12/1120981912.db2.gz IIMJNEXYMLJVTI-FUHWJXTLSA-N 2 1 278.484 3.833 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC001178628713 1121802327 /nfs/dbraw/zinc/80/23/27/1121802327.db2.gz BGOYIVIJNZHKHF-PMPSAXMXSA-N 2 1 254.462 3.521 20 0 CHADMP CC[NH+]1CCC(C[N@@H+](C)C2CCC(C)(C)CC2)CC1 ZINC001180203615 1121963676 /nfs/dbraw/zinc/96/36/76/1121963676.db2.gz WAWNPVXBOCMQRN-UHFFFAOYSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@H](CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)CC(C)(C)C ZINC000188035617 1123014688 /nfs/dbraw/zinc/01/46/88/1123014688.db2.gz FEANMLREAKOAAN-BZUAXINKSA-N 2 1 266.473 3.665 20 0 CHADMP CC[C@H](F)C[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000440799574 1123039741 /nfs/dbraw/zinc/03/97/41/1123039741.db2.gz UICSWLSMLNODJT-KRWDZBQOSA-N 2 1 284.463 3.569 20 0 CHADMP Cc1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cs1 ZINC000449082637 1124643148 /nfs/dbraw/zinc/64/31/48/1124643148.db2.gz OQQPWDAFHDHCBI-AWEZNQCLSA-N 2 1 280.481 3.801 20 0 CHADMP CCCCC[C@H](CCC)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246548320 1131598365 /nfs/dbraw/zinc/59/83/65/1131598365.db2.gz FWBHIBYPKCXPAS-JKSUJKDBSA-N 2 1 254.462 3.939 20 0 CHADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246548789 1131601749 /nfs/dbraw/zinc/60/17/49/1131601749.db2.gz KCZGRAOILYQMKO-ARFHVFGLSA-N 2 1 272.452 3.744 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(Cl)s1)C2 ZINC001172101620 1132123743 /nfs/dbraw/zinc/12/37/43/1132123743.db2.gz GGMLSWMQDUZZEF-ZSBIGDGJSA-N 2 1 284.856 3.506 20 0 CHADMP CC[C@H](C)OCC[C@@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001172322060 1132159232 /nfs/dbraw/zinc/15/92/32/1132159232.db2.gz RKPMWDXMDVRTOP-XDNAFOTISA-N 2 1 298.515 3.538 20 0 CHADMP CC[C@H]1CC[C@@H]([N@@H+](C)CC2CC[NH+](C(C)C)CC2)C1 ZINC001173277972 1132453399 /nfs/dbraw/zinc/45/33/99/1132453399.db2.gz GWLWPUDRCQXGSE-DOTOQJQBSA-N 2 1 266.473 3.617 20 0 CHADMP [NH3+]CCCCCCC[N@H+]1CCc2sc(Cl)cc2C1 ZINC000843392349 1132526526 /nfs/dbraw/zinc/52/65/26/1132526526.db2.gz NHEOCMAJKJFXMT-UHFFFAOYSA-N 2 1 286.872 3.669 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205902586 1133629191 /nfs/dbraw/zinc/62/91/91/1133629191.db2.gz KSIXHALIWPXQDF-FEFZKZJHSA-N 2 1 266.473 3.962 20 0 CHADMP C[C@H]1C[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCC2)CC[N@@H+]1C ZINC000119305662 1125532702 /nfs/dbraw/zinc/53/27/02/1125532702.db2.gz VJGSYXYIDXRCRA-MORSLUCNSA-N 2 1 290.426 3.739 20 0 CHADMP C[C@H]1C[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCC2)CC[N@H+]1C ZINC000119305662 1125532709 /nfs/dbraw/zinc/53/27/09/1125532709.db2.gz VJGSYXYIDXRCRA-MORSLUCNSA-N 2 1 290.426 3.739 20 0 CHADMP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000532802402 1125583011 /nfs/dbraw/zinc/58/30/11/1125583011.db2.gz IFVMATPREAFGIY-DNXIFWLFSA-N 2 1 292.854 3.675 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000533564953 1125616411 /nfs/dbraw/zinc/61/64/11/1125616411.db2.gz LSZYFQZVJOQBQL-ZBFHGGJFSA-N 2 1 277.456 3.634 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000533564951 1125616463 /nfs/dbraw/zinc/61/64/63/1125616463.db2.gz LSZYFQZVJOQBQL-GOEBONIOSA-N 2 1 277.456 3.634 20 0 CHADMP Cc1ccsc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246432150 1125633724 /nfs/dbraw/zinc/63/37/24/1125633724.db2.gz MZALEWQKAIAOAL-GOEBONIOSA-N 2 1 290.476 3.505 20 0 CHADMP Cc1cc(N2CCC3(CCC[N@@H+]3C)CC2)c2ccccc2[nH+]1 ZINC000072475696 1125635638 /nfs/dbraw/zinc/63/56/38/1125635638.db2.gz LATDYGYKVYWEMZ-UHFFFAOYSA-N 2 1 295.430 3.608 20 0 CHADMP C[C@H]([NH2+]CCC1(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348359640 1125642123 /nfs/dbraw/zinc/64/21/23/1125642123.db2.gz TYEIRZXPYSIPCU-FUHWJXTLSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H]1CC=CCC1 ZINC000246590621 1125645908 /nfs/dbraw/zinc/64/59/08/1125645908.db2.gz GPUHUZFNIPVCPB-IAGOWNOFSA-N 2 1 264.457 3.587 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)C2CCC2)CC[N@@H+]1C ZINC000247048114 1125653239 /nfs/dbraw/zinc/65/32/39/1125653239.db2.gz OPXIDLQONYPDDM-FHLIZLRMSA-N 2 1 272.436 3.600 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)C2CCC2)CC[N@H+]1C ZINC000247048114 1125653242 /nfs/dbraw/zinc/65/32/42/1125653242.db2.gz OPXIDLQONYPDDM-FHLIZLRMSA-N 2 1 272.436 3.600 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccsc1 ZINC000247177119 1125655024 /nfs/dbraw/zinc/65/50/24/1125655024.db2.gz UXLLBRIDDJOQPD-LSDHHAIUSA-N 2 1 280.481 3.911 20 0 CHADMP Cc1cccc([C@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)c1 ZINC000247317973 1125656555 /nfs/dbraw/zinc/65/65/55/1125656555.db2.gz RZODRXAVOQBMQC-QZTJIDSGSA-N 2 1 272.436 3.616 20 0 CHADMP CC1([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCC1 ZINC000886586128 1125694494 /nfs/dbraw/zinc/69/44/94/1125694494.db2.gz LLPNCKMKAYJTHS-KSZLIROESA-N 2 1 284.447 3.572 20 0 CHADMP Cc1[nH]c(C2CC[NH+]([C@H](C)CC(C)C)CC2)[nH+]c1C ZINC000886661222 1125706051 /nfs/dbraw/zinc/70/60/51/1125706051.db2.gz PJCVLTNAFIGZLU-GFCCVEGCSA-N 2 1 263.429 3.641 20 0 CHADMP C[C@@H]([NH2+]C1(C2CC2)CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000886825516 1125721891 /nfs/dbraw/zinc/72/18/91/1125721891.db2.gz WCKOPJOLOAZRST-SJLPKXTDSA-N 2 1 298.474 3.819 20 0 CHADMP Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)C[C@]2(C)CC[NH2+]C2)cc1 ZINC000261703438 1125739789 /nfs/dbraw/zinc/73/97/89/1125739789.db2.gz CPYUYGOSZALLJI-GBESFXJTSA-N 2 1 286.463 3.563 20 0 CHADMP [NH3+]CC[C@H]1CCC[N@H+](Cc2csc(Cl)c2Cl)C1 ZINC000261917293 1125748320 /nfs/dbraw/zinc/74/83/20/1125748320.db2.gz KBBFIXKRMGVCSV-SECBINFHSA-N 2 1 293.263 3.616 20 0 CHADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2csc(Cl)c2Cl)C1 ZINC000261917293 1125748328 /nfs/dbraw/zinc/74/83/28/1125748328.db2.gz KBBFIXKRMGVCSV-SECBINFHSA-N 2 1 293.263 3.616 20 0 CHADMP Cc1ccccc1[C@@H](C(C)C)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261994340 1125749405 /nfs/dbraw/zinc/74/94/05/1125749405.db2.gz KPJNOLFIMGJWAZ-MSOLQXFVSA-N 2 1 274.452 3.624 20 0 CHADMP C[C@@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1 ZINC000261985159 1125749426 /nfs/dbraw/zinc/74/94/26/1125749426.db2.gz RWFQJNVJOOFUAT-QIXHYMPYSA-N 2 1 292.854 3.658 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)cc(Cl)c2)C[C@@H]1C ZINC000508717266 1125779901 /nfs/dbraw/zinc/77/99/01/1125779901.db2.gz IKMNNNASXKIWLA-YOEHRIQHSA-N 2 1 294.870 3.953 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)cc(Cl)c2)C[C@@H]1C ZINC000508717266 1125779906 /nfs/dbraw/zinc/77/99/06/1125779906.db2.gz IKMNNNASXKIWLA-YOEHRIQHSA-N 2 1 294.870 3.953 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)cc(Cl)c2)C[C@@H]1C ZINC000508717266 1125779913 /nfs/dbraw/zinc/77/99/13/1125779913.db2.gz IKMNNNASXKIWLA-YOEHRIQHSA-N 2 1 294.870 3.953 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)cc(Cl)c2)C[C@@H]1C ZINC000508717266 1125779919 /nfs/dbraw/zinc/77/99/19/1125779919.db2.gz IKMNNNASXKIWLA-YOEHRIQHSA-N 2 1 294.870 3.953 20 0 CHADMP C[N@@H+](CC[NH2+][C@@H]1CCCC(C)(C)CC1)C1CCCC1 ZINC000086909037 1129827188 /nfs/dbraw/zinc/82/71/88/1129827188.db2.gz DUFQOYCJQGKRSZ-OAHLLOKOSA-N 2 1 266.473 3.809 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000338026586 1126712779 /nfs/dbraw/zinc/71/27/79/1126712779.db2.gz KCIHJYPOIMHFDY-GOSISDBHSA-N 2 1 297.446 3.984 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000136290226 1126725409 /nfs/dbraw/zinc/72/54/09/1126725409.db2.gz BVBVCIDLOPZDJC-UHFFFAOYSA-N 2 1 295.789 3.506 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(F)cc1Cl ZINC000136290226 1126725411 /nfs/dbraw/zinc/72/54/11/1126725411.db2.gz BVBVCIDLOPZDJC-UHFFFAOYSA-N 2 1 295.789 3.506 20 0 CHADMP CCCc1cccc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)c1 ZINC000481990499 1126738005 /nfs/dbraw/zinc/73/80/05/1126738005.db2.gz LXWVEVPZLWFYJC-APWZRJJASA-N 2 1 288.479 3.944 20 0 CHADMP CCCc1cccc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000481990499 1126738008 /nfs/dbraw/zinc/73/80/08/1126738008.db2.gz LXWVEVPZLWFYJC-APWZRJJASA-N 2 1 288.479 3.944 20 0 CHADMP CCCc1cccc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)c1 ZINC000481990499 1126738009 /nfs/dbraw/zinc/73/80/09/1126738009.db2.gz LXWVEVPZLWFYJC-APWZRJJASA-N 2 1 288.479 3.944 20 0 CHADMP CCCc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)c1 ZINC000481990504 1126738118 /nfs/dbraw/zinc/73/81/18/1126738118.db2.gz LXWVEVPZLWFYJC-VQIMIIECSA-N 2 1 288.479 3.944 20 0 CHADMP CCCc1cccc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000481990504 1126738122 /nfs/dbraw/zinc/73/81/22/1126738122.db2.gz LXWVEVPZLWFYJC-VQIMIIECSA-N 2 1 288.479 3.944 20 0 CHADMP CCCc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)c1 ZINC000481990504 1126738125 /nfs/dbraw/zinc/73/81/25/1126738125.db2.gz LXWVEVPZLWFYJC-VQIMIIECSA-N 2 1 288.479 3.944 20 0 CHADMP Cc1cc2[nH]c(C[NH+](C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc2c(C)c1 ZINC000482007846 1126738559 /nfs/dbraw/zinc/73/85/59/1126738559.db2.gz KQTLNCRSNIXUGV-WBVHZDCISA-N 2 1 299.462 3.699 20 0 CHADMP Cc1cc2[nH]c(C[NH+](C)[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2c(C)c1 ZINC000482007846 1126738562 /nfs/dbraw/zinc/73/85/62/1126738562.db2.gz KQTLNCRSNIXUGV-WBVHZDCISA-N 2 1 299.462 3.699 20 0 CHADMP Cc1cc2[nH]c(C[N@@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)cc2c(C)c1 ZINC000482007846 1126738564 /nfs/dbraw/zinc/73/85/64/1126738564.db2.gz KQTLNCRSNIXUGV-WBVHZDCISA-N 2 1 299.462 3.699 20 0 CHADMP Cc1cc2[nH]c(C[N@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)cc2c(C)c1 ZINC000482007846 1126738567 /nfs/dbraw/zinc/73/85/67/1126738567.db2.gz KQTLNCRSNIXUGV-WBVHZDCISA-N 2 1 299.462 3.699 20 0 CHADMP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1ccsc1 ZINC000482230738 1126745780 /nfs/dbraw/zinc/74/57/80/1126745780.db2.gz KVJUHXYGTATPEG-AWEZNQCLSA-N 2 1 268.470 3.911 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000482244200 1126747804 /nfs/dbraw/zinc/74/78/04/1126747804.db2.gz WTDJJOUDKULNJQ-MRXNPFEDSA-N 2 1 264.457 3.611 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)s1 ZINC000483127236 1126769653 /nfs/dbraw/zinc/76/96/53/1126769653.db2.gz MLVNSZDCZQDAIG-UTUOFQBUSA-N 2 1 286.872 3.925 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)s1 ZINC000483127236 1126769655 /nfs/dbraw/zinc/76/96/55/1126769655.db2.gz MLVNSZDCZQDAIG-UTUOFQBUSA-N 2 1 286.872 3.925 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCC2CCCCC2)C[C@@H]1C ZINC000483285401 1126778575 /nfs/dbraw/zinc/77/85/75/1126778575.db2.gz YGBNKLWVIUBEFD-RDJZCZTQSA-N 2 1 266.473 3.761 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC000483313231 1126780422 /nfs/dbraw/zinc/78/04/22/1126780422.db2.gz JGIPSXMMMAPCJA-QGZVFWFLSA-N 2 1 266.473 3.667 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CC1 ZINC000483739569 1126799043 /nfs/dbraw/zinc/79/90/43/1126799043.db2.gz DBXBEXYSNHSSBV-YQQAZPJKSA-N 2 1 292.492 3.909 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CC1 ZINC000483739569 1126799046 /nfs/dbraw/zinc/79/90/46/1126799046.db2.gz DBXBEXYSNHSSBV-YQQAZPJKSA-N 2 1 292.492 3.909 20 0 CHADMP CCSc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000483750617 1126799928 /nfs/dbraw/zinc/79/99/28/1126799928.db2.gz VVYQBVFFNZMPBA-SOUVJXGZSA-N 2 1 292.492 3.932 20 0 CHADMP CCSc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000483750617 1126799931 /nfs/dbraw/zinc/79/99/31/1126799931.db2.gz VVYQBVFFNZMPBA-SOUVJXGZSA-N 2 1 292.492 3.932 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CCc2csc3ccccc23)CC[N@H+]1C ZINC000178047201 1126808212 /nfs/dbraw/zinc/80/82/12/1126808212.db2.gz OBXYOZHZQHDSKX-UKRRQHHQSA-N 2 1 288.460 3.516 20 0 CHADMP CCCC[C@H](CCC)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000484288535 1126814155 /nfs/dbraw/zinc/81/41/55/1126814155.db2.gz AURXBZXAPPGEKW-OWCLPIDISA-N 2 1 254.462 3.523 20 0 CHADMP CC(C)[NH+](CCC[NH2+][C@@H](C)c1ccc(Cl)nc1)C(C)C ZINC000179135057 1126824007 /nfs/dbraw/zinc/82/40/07/1126824007.db2.gz OFQKWZIIRNRZIH-AWEZNQCLSA-N 2 1 297.874 3.895 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252416686 1126853421 /nfs/dbraw/zinc/85/34/21/1126853421.db2.gz PCTSCVWFNUEZCS-FRFSOERESA-N 2 1 292.854 3.865 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252416686 1126853424 /nfs/dbraw/zinc/85/34/24/1126853424.db2.gz PCTSCVWFNUEZCS-FRFSOERESA-N 2 1 292.854 3.865 20 0 CHADMP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000183188342 1126883058 /nfs/dbraw/zinc/88/30/58/1126883058.db2.gz ICVXLZSOBBQCCT-JFIYKMOQSA-N 2 1 286.463 3.990 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000187246206 1126909621 /nfs/dbraw/zinc/90/96/21/1126909621.db2.gz HVNLFQUZAFTTEU-LJQANCHMSA-N 2 1 299.462 3.829 20 0 CHADMP CC[N@@H+](Cc1cc(C)cc(Cl)c1)C1CCN(C)CC1 ZINC001235530161 1130752215 /nfs/dbraw/zinc/75/22/15/1130752215.db2.gz RTJDTOBLPWHRQW-UHFFFAOYSA-N 2 1 280.843 3.565 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001235672465 1130764025 /nfs/dbraw/zinc/76/40/25/1130764025.db2.gz DZVQKTNOUSIODZ-MJSXRHKHSA-N 2 1 252.446 3.574 20 0 CHADMP CC[C@H]1c2ccsc2CC[N@H+]1CCCn1cc[nH+]c1C ZINC000269126907 1127035716 /nfs/dbraw/zinc/03/57/16/1127035716.db2.gz GDHCDZOISSDPHJ-HNNXBMFYSA-N 2 1 289.448 3.653 20 0 CHADMP CC[C@H]1c2ccsc2CC[N@@H+]1CCCn1cc[nH+]c1C ZINC000269126907 1127035718 /nfs/dbraw/zinc/03/57/18/1127035718.db2.gz GDHCDZOISSDPHJ-HNNXBMFYSA-N 2 1 289.448 3.653 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000269943414 1127048583 /nfs/dbraw/zinc/04/85/83/1127048583.db2.gz SJRUFBAGJCXNLV-GDBMZVCRSA-N 2 1 287.407 3.648 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000269943414 1127048587 /nfs/dbraw/zinc/04/85/87/1127048587.db2.gz SJRUFBAGJCXNLV-GDBMZVCRSA-N 2 1 287.407 3.648 20 0 CHADMP Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CCn2cc[nH+]c2C)o1 ZINC000270910289 1127063154 /nfs/dbraw/zinc/06/31/54/1127063154.db2.gz SSYDZDLHALOBSF-CZUORRHYSA-N 2 1 287.407 3.566 20 0 CHADMP Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2CCn2cc[nH+]c2C)o1 ZINC000270910289 1127063159 /nfs/dbraw/zinc/06/31/59/1127063159.db2.gz SSYDZDLHALOBSF-CZUORRHYSA-N 2 1 287.407 3.566 20 0 CHADMP Cc1cc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C2CC2)ccc1F ZINC000271540232 1127089738 /nfs/dbraw/zinc/08/97/38/1127089738.db2.gz QSXOZFJPAXQQGG-MZMPZRCHSA-N 2 1 290.426 3.658 20 0 CHADMP Cc1cc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C2CC2)ccc1F ZINC000271540232 1127089740 /nfs/dbraw/zinc/08/97/40/1127089740.db2.gz QSXOZFJPAXQQGG-MZMPZRCHSA-N 2 1 290.426 3.658 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000274295788 1127111536 /nfs/dbraw/zinc/11/15/36/1127111536.db2.gz SEVFTEDUJQVDCC-MSOLQXFVSA-N 2 1 297.446 3.754 20 0 CHADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1csc(C(F)(F)F)c1 ZINC000924850988 1127113811 /nfs/dbraw/zinc/11/38/11/1127113811.db2.gz AEMDGJCQCHNDIK-UWVGGRQHSA-N 2 1 294.386 3.758 20 0 CHADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1csc(C(F)(F)F)c1 ZINC000924850996 1127114991 /nfs/dbraw/zinc/11/49/91/1127114991.db2.gz AEMDGJCQCHNDIK-ZJUUUORDSA-N 2 1 294.386 3.758 20 0 CHADMP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(C)s1 ZINC000349364954 1127149266 /nfs/dbraw/zinc/14/92/66/1127149266.db2.gz HIIIUIZVSDIMRU-UHFFFAOYSA-N 2 1 268.470 3.610 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(C)s1 ZINC000349364954 1127149268 /nfs/dbraw/zinc/14/92/68/1127149268.db2.gz HIIIUIZVSDIMRU-UHFFFAOYSA-N 2 1 268.470 3.610 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(C)c(Cl)c1 ZINC000349387066 1127150537 /nfs/dbraw/zinc/15/05/37/1127150537.db2.gz UPAUUWDCPODLTP-UHFFFAOYSA-N 2 1 291.826 3.675 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(C)c(Cl)c1 ZINC000349387066 1127150539 /nfs/dbraw/zinc/15/05/39/1127150539.db2.gz UPAUUWDCPODLTP-UHFFFAOYSA-N 2 1 291.826 3.675 20 0 CHADMP C[C@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)C1CCCCC1 ZINC000571943172 1127182890 /nfs/dbraw/zinc/18/28/90/1127182890.db2.gz OVTSXLIBMZUCCI-AEFFLSMTSA-N 2 1 278.484 3.621 20 0 CHADMP C[C@H](C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)C1CCCCC1 ZINC000571943172 1127182892 /nfs/dbraw/zinc/18/28/92/1127182892.db2.gz OVTSXLIBMZUCCI-AEFFLSMTSA-N 2 1 278.484 3.621 20 0 CHADMP C[C@H](C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)C1CCCCC1 ZINC000571943172 1127182894 /nfs/dbraw/zinc/18/28/94/1127182894.db2.gz OVTSXLIBMZUCCI-AEFFLSMTSA-N 2 1 278.484 3.621 20 0 CHADMP Cc1oc2ccccc2c1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000351581609 1127195520 /nfs/dbraw/zinc/19/55/20/1127195520.db2.gz IDXKXEITJSACNK-OAHLLOKOSA-N 2 1 286.419 3.515 20 0 CHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@]2(CC=CCC2)C1 ZINC000351593843 1127196125 /nfs/dbraw/zinc/19/61/25/1127196125.db2.gz FJJZXDPNJJNYLU-QZTJIDSGSA-N 2 1 276.468 3.683 20 0 CHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000351593843 1127196126 /nfs/dbraw/zinc/19/61/26/1127196126.db2.gz FJJZXDPNJJNYLU-QZTJIDSGSA-N 2 1 276.468 3.683 20 0 CHADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(C(F)F)cc2)C1 ZINC000572648017 1127223303 /nfs/dbraw/zinc/22/33/03/1127223303.db2.gz LCROCQZMZDBQLA-HOTGVXAUSA-N 2 1 294.389 3.540 20 0 CHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(C(F)F)cc2)C1 ZINC000572648017 1127223306 /nfs/dbraw/zinc/22/33/06/1127223306.db2.gz LCROCQZMZDBQLA-HOTGVXAUSA-N 2 1 294.389 3.540 20 0 CHADMP CC(C)(C)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000572886932 1127228311 /nfs/dbraw/zinc/22/83/11/1127228311.db2.gz GGJCWZDIAIDPBI-LJQANCHMSA-N 2 1 286.463 3.631 20 0 CHADMP CC(C)(C)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000572886932 1127228314 /nfs/dbraw/zinc/22/83/14/1127228314.db2.gz GGJCWZDIAIDPBI-LJQANCHMSA-N 2 1 286.463 3.631 20 0 CHADMP CC(C)(C)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000572886932 1127228318 /nfs/dbraw/zinc/22/83/18/1127228318.db2.gz GGJCWZDIAIDPBI-LJQANCHMSA-N 2 1 286.463 3.631 20 0 CHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCCCF)CC1 ZINC000286169297 1127261834 /nfs/dbraw/zinc/26/18/34/1127261834.db2.gz YNFUNVCTLXFTCR-UHFFFAOYSA-N 2 1 292.442 3.580 20 0 CHADMP C[N@@H+](Cc1ccc(C(C)(C)C)s1)C1CCC([NH3+])CC1 ZINC000166183260 1127263843 /nfs/dbraw/zinc/26/38/43/1127263843.db2.gz GHXMLWIDSHHGKG-UHFFFAOYSA-N 2 1 280.481 3.747 20 0 CHADMP Cc1cccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000590787041 1127273088 /nfs/dbraw/zinc/27/30/88/1127273088.db2.gz RCMWTDGZXQGNML-UHFFFAOYSA-N 2 1 274.452 3.547 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)CCCCF)CC[N@@H+]1Cc1ccccc1 ZINC000286612470 1127270203 /nfs/dbraw/zinc/27/02/03/1127270203.db2.gz YLGSUEVCQUZDCS-FUHWJXTLSA-N 2 1 292.442 3.721 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)CCCCF)CC[N@H+]1Cc1ccccc1 ZINC000286612470 1127270206 /nfs/dbraw/zinc/27/02/06/1127270206.db2.gz YLGSUEVCQUZDCS-FUHWJXTLSA-N 2 1 292.442 3.721 20 0 CHADMP C[C@H]1C[C@H]([N@H+](C)CCCCF)CC[NH+]1Cc1ccccc1 ZINC000286612470 1127270210 /nfs/dbraw/zinc/27/02/10/1127270210.db2.gz YLGSUEVCQUZDCS-FUHWJXTLSA-N 2 1 292.442 3.721 20 0 CHADMP C[C@H]1C[C@H]([N@@H+](C)CCCCF)CC[NH+]1Cc1ccccc1 ZINC000286612470 1127270212 /nfs/dbraw/zinc/27/02/12/1127270212.db2.gz YLGSUEVCQUZDCS-FUHWJXTLSA-N 2 1 292.442 3.721 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CC(c2ccccc2F)C1 ZINC000353971072 1127282156 /nfs/dbraw/zinc/28/21/56/1127282156.db2.gz IAOVWDPRPHAUCM-GPANFISMSA-N 2 1 290.426 3.536 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CC(c2ccccc2F)C1 ZINC000353971072 1127282159 /nfs/dbraw/zinc/28/21/59/1127282159.db2.gz IAOVWDPRPHAUCM-GPANFISMSA-N 2 1 290.426 3.536 20 0 CHADMP Cc1ccncc1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000354189340 1127298175 /nfs/dbraw/zinc/29/81/75/1127298175.db2.gz LXSJRRJFNBLPOU-UHFFFAOYSA-N 2 1 297.446 3.520 20 0 CHADMP C[N@H+]1CCC[C@H]2C[NH+](CCC3CCCCCC3)CC[C@H]21 ZINC000573486802 1127316571 /nfs/dbraw/zinc/31/65/71/1127316571.db2.gz RMDXMFWWXPQKLH-ZWKOTPCHSA-N 2 1 278.484 3.763 20 0 CHADMP Cc1cc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1F ZINC000591692558 1127313907 /nfs/dbraw/zinc/31/39/07/1127313907.db2.gz MDCAHFNQRNOOEZ-GJZGRUSLSA-N 2 1 292.442 3.592 20 0 CHADMP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000573986262 1127347677 /nfs/dbraw/zinc/34/76/77/1127347677.db2.gz ZIIGZCCBKMNVSX-YSHGAJCASA-N 2 1 286.463 3.990 20 0 CHADMP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000573986262 1127347681 /nfs/dbraw/zinc/34/76/81/1127347681.db2.gz ZIIGZCCBKMNVSX-YSHGAJCASA-N 2 1 286.463 3.990 20 0 CHADMP C[C@@H](CCCC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000480219773 1127362890 /nfs/dbraw/zinc/36/28/90/1127362890.db2.gz DAOOJGMAOTYZIG-STQMWFEESA-N 2 1 292.389 3.714 20 0 CHADMP C[C@@H](CCCC(F)(F)F)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000480219773 1127362893 /nfs/dbraw/zinc/36/28/93/1127362893.db2.gz DAOOJGMAOTYZIG-STQMWFEESA-N 2 1 292.389 3.714 20 0 CHADMP CC/C=C/CC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000466823304 1127370070 /nfs/dbraw/zinc/37/00/70/1127370070.db2.gz OTNZYYMXQQXGGH-SNAWJCMRSA-N 2 1 286.463 3.939 20 0 CHADMP CC/C=C/CC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000466823304 1127370073 /nfs/dbraw/zinc/37/00/73/1127370073.db2.gz OTNZYYMXQQXGGH-SNAWJCMRSA-N 2 1 286.463 3.939 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000358081736 1127401331 /nfs/dbraw/zinc/40/13/31/1127401331.db2.gz MBNPFULAEYAEKE-YCPHGPKFSA-N 2 1 277.456 3.632 20 0 CHADMP C[N@@H+](CCSc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000358339744 1127416172 /nfs/dbraw/zinc/41/61/72/1127416172.db2.gz YMCCNKLOADKUOW-CQSZACIVSA-N 2 1 298.883 3.506 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC000293657343 1127511397 /nfs/dbraw/zinc/51/13/97/1127511397.db2.gz LSBYBJFYDWXZHV-JENIJYKNSA-N 2 1 284.447 3.589 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](c3ccccc3F)C2)CC[N@@H+]1C ZINC000360920226 1127520103 /nfs/dbraw/zinc/52/01/03/1127520103.db2.gz OUYQOCQKLYLVTE-FXUDXRNXSA-N 2 1 290.426 3.534 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](c3ccccc3F)C2)CC[N@H+]1C ZINC000360920226 1127520104 /nfs/dbraw/zinc/52/01/04/1127520104.db2.gz OUYQOCQKLYLVTE-FXUDXRNXSA-N 2 1 290.426 3.534 20 0 CHADMP Cc1nc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cs1 ZINC000361080212 1127536404 /nfs/dbraw/zinc/53/64/04/1127536404.db2.gz NDHOLQDOGRNYGC-KBPBESRZSA-N 2 1 295.496 3.614 20 0 CHADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(F)c2ccccc21 ZINC000294568404 1127583911 /nfs/dbraw/zinc/58/39/11/1127583911.db2.gz BUZCDQHCUYNDRI-CQSZACIVSA-N 2 1 298.405 3.891 20 0 CHADMP c1ccc([C@@H]2CCC[C@@H]2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000294681454 1127591411 /nfs/dbraw/zinc/59/14/11/1127591411.db2.gz BQJKNOFLEGDEMX-ZRNYENFQSA-N 2 1 298.474 3.787 20 0 CHADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000361847678 1127593630 /nfs/dbraw/zinc/59/36/30/1127593630.db2.gz DWBXSMSHJROVLB-MAUKXSAKSA-N 2 1 281.403 3.555 20 0 CHADMP Cc1ccc(CC[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000294962658 1127611209 /nfs/dbraw/zinc/61/12/09/1127611209.db2.gz ILDUSPGAHXLGTQ-BPIHKTFHSA-N 2 1 286.463 3.531 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)c(Cl)c1 ZINC000296044770 1129221103 /nfs/dbraw/zinc/22/11/03/1129221103.db2.gz UQVKJDSQSKMKND-NDNKKMJESA-N 2 1 296.817 3.755 20 0 CHADMP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000366261720 1127743796 /nfs/dbraw/zinc/74/37/96/1127743796.db2.gz WKQAGAMFEQTAEZ-QXAKKESOSA-N 2 1 286.463 3.533 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)s1 ZINC000373524080 1127848011 /nfs/dbraw/zinc/84/80/11/1127848011.db2.gz QVJZLBMNCJZAQL-NFOMZHRRSA-N 2 1 292.492 3.978 20 0 CHADMP C[C@H](CC1CCCCC1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623509636 1127916083 /nfs/dbraw/zinc/91/60/83/1127916083.db2.gz LEUYBAFIKPRFRI-GDBMZVCRSA-N 2 1 266.473 3.808 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](C)CCc2ccccc2)C1 ZINC000539405106 1127921557 /nfs/dbraw/zinc/92/15/57/1127921557.db2.gz NAVCOJMDDVHJBN-MJGOQNOKSA-N 2 1 288.479 3.529 20 0 CHADMP CCc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000539895816 1127952028 /nfs/dbraw/zinc/95/20/28/1127952028.db2.gz XNLIIBRCDHBQDC-UYAOXDASSA-N 2 1 298.474 3.698 20 0 CHADMP CCc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000539895816 1127952031 /nfs/dbraw/zinc/95/20/31/1127952031.db2.gz XNLIIBRCDHBQDC-UYAOXDASSA-N 2 1 298.474 3.698 20 0 CHADMP CCc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000539895816 1127952034 /nfs/dbraw/zinc/95/20/34/1127952034.db2.gz XNLIIBRCDHBQDC-UYAOXDASSA-N 2 1 298.474 3.698 20 0 CHADMP CC(C)[C@H](C)[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000540146046 1127962703 /nfs/dbraw/zinc/96/27/03/1127962703.db2.gz QWMYCBUIWACLIC-JENIJYKNSA-N 2 1 288.479 3.921 20 0 CHADMP Cc1ccc([C@H]2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)cc1 ZINC000544190661 1127963071 /nfs/dbraw/zinc/96/30/71/1127963071.db2.gz QTZUZFCIGZCZLB-OALUTQOASA-N 2 1 286.463 3.659 20 0 CHADMP Cc1ccc([C@H]2CC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)cc1 ZINC000544190661 1127963074 /nfs/dbraw/zinc/96/30/74/1127963074.db2.gz QTZUZFCIGZCZLB-OALUTQOASA-N 2 1 286.463 3.659 20 0 CHADMP Cc1ccc([C@H]2CC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)cc1 ZINC000544190661 1127963076 /nfs/dbraw/zinc/96/30/76/1127963076.db2.gz QTZUZFCIGZCZLB-OALUTQOASA-N 2 1 286.463 3.659 20 0 CHADMP Cc1cc(C)cc([C@H]2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000544191486 1127963142 /nfs/dbraw/zinc/96/31/42/1127963142.db2.gz NWFROLCYHIJFRC-HKUYNNGSSA-N 2 1 286.463 3.577 20 0 CHADMP Cc1cc(C)cc([C@H]2CC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)c1 ZINC000544191486 1127963146 /nfs/dbraw/zinc/96/31/46/1127963146.db2.gz NWFROLCYHIJFRC-HKUYNNGSSA-N 2 1 286.463 3.577 20 0 CHADMP Cc1cc(C)cc([C@H]2CC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)c1 ZINC000544191486 1127963151 /nfs/dbraw/zinc/96/31/51/1127963151.db2.gz NWFROLCYHIJFRC-HKUYNNGSSA-N 2 1 286.463 3.577 20 0 CHADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1C(C)(C)C ZINC000540608416 1127987067 /nfs/dbraw/zinc/98/70/67/1127987067.db2.gz WBJOIWSDEDHPPJ-OAHLLOKOSA-N 2 1 286.463 3.897 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](CC(C)C)C2)C1 ZINC000300308699 1127998268 /nfs/dbraw/zinc/99/82/68/1127998268.db2.gz KQHOHIFLLAOTSL-BRWVUGGUSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000541537547 1128025318 /nfs/dbraw/zinc/02/53/18/1128025318.db2.gz UDSVZOWDAMTBHK-VXNCWWDNSA-N 2 1 290.495 3.761 20 0 CHADMP C[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000541537547 1128025322 /nfs/dbraw/zinc/02/53/22/1128025322.db2.gz UDSVZOWDAMTBHK-VXNCWWDNSA-N 2 1 290.495 3.761 20 0 CHADMP C[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000541537547 1128025327 /nfs/dbraw/zinc/02/53/27/1128025327.db2.gz UDSVZOWDAMTBHK-VXNCWWDNSA-N 2 1 290.495 3.761 20 0 CHADMP Cc1ccc([C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C2CCC2)o1 ZINC000541744120 1128036285 /nfs/dbraw/zinc/03/62/85/1128036285.db2.gz CKICYLBPRVCLGJ-RDTXWAMCSA-N 2 1 288.435 3.503 20 0 CHADMP Cc1ccc([C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C2CCC2)o1 ZINC000541744120 1128036288 /nfs/dbraw/zinc/03/62/88/1128036288.db2.gz CKICYLBPRVCLGJ-RDTXWAMCSA-N 2 1 288.435 3.503 20 0 CHADMP Cc1ccc([C@@H]([NH2+]CCC[NH+]2CCCCC2)C2CCC2)o1 ZINC000541745352 1128037017 /nfs/dbraw/zinc/03/70/17/1128037017.db2.gz IBIRDAYIHOUPMX-SFHVURJKSA-N 2 1 290.451 3.895 20 0 CHADMP Cc1ccccc1-c1cccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000469865495 1128056589 /nfs/dbraw/zinc/05/65/89/1128056589.db2.gz JOYWWZMZERLZGZ-QFBILLFUSA-N 2 1 294.442 3.831 20 0 CHADMP CCC[N@@H+](Cc1cc2ccccc2s1)C1CC[NH2+]CC1 ZINC000470021689 1128062504 /nfs/dbraw/zinc/06/25/04/1128062504.db2.gz AEDPBFBFFXTKJV-UHFFFAOYSA-N 2 1 288.460 3.865 20 0 CHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(Cl)c1 ZINC000470197863 1128066241 /nfs/dbraw/zinc/06/62/41/1128066241.db2.gz LSQQFVHXHVVXOM-XOKHGSTOSA-N 2 1 292.854 3.660 20 0 CHADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(Cl)c1 ZINC000470197863 1128066245 /nfs/dbraw/zinc/06/62/45/1128066245.db2.gz LSQQFVHXHVVXOM-XOKHGSTOSA-N 2 1 292.854 3.660 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(SC)cc2)C1 ZINC000173344724 1128088051 /nfs/dbraw/zinc/08/80/51/1128088051.db2.gz SNJMXKWEOCMGMS-LSDHHAIUSA-N 2 1 292.492 3.791 20 0 CHADMP CCCC[C@@H](CC)CC[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000557097220 1128091780 /nfs/dbraw/zinc/09/17/80/1128091780.db2.gz JERUDVZUEWCMNY-IAGOWNOFSA-N 2 1 268.489 3.913 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000252107352 1128117105 /nfs/dbraw/zinc/11/71/05/1128117105.db2.gz HFONGBPUBQPXEW-OZSLIKBDSA-N 2 1 264.457 3.560 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000252107352 1128117107 /nfs/dbraw/zinc/11/71/07/1128117107.db2.gz HFONGBPUBQPXEW-OZSLIKBDSA-N 2 1 264.457 3.560 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1coc2ccccc12 ZINC000924950700 1128117447 /nfs/dbraw/zinc/11/74/47/1128117447.db2.gz KBJMVEVJJPGEGL-UONOGXRCSA-N 2 1 297.402 3.925 20 0 CHADMP c1ccc([C@@H]2C[C@H]([NH2+]CC[C@@H]3C[C@H]3C3CC3)CC[NH2+]2)cc1 ZINC000925802363 1128142588 /nfs/dbraw/zinc/14/25/88/1128142588.db2.gz MQJNSFJCXXONDY-YRXWBPOGSA-N 2 1 284.447 3.506 20 0 CHADMP [NH3+][C@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3F)c2ccccc21 ZINC000925779692 1128142680 /nfs/dbraw/zinc/14/26/80/1128142680.db2.gz ONWHCKLXATXCDK-BZSNNMDCSA-N 2 1 282.362 3.547 20 0 CHADMP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1C ZINC000925829016 1128143166 /nfs/dbraw/zinc/14/31/66/1128143166.db2.gz LUWNSKBDBTWTJL-MORSLUCNSA-N 2 1 296.414 3.799 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205103108 1128171592 /nfs/dbraw/zinc/17/15/92/1128171592.db2.gz ZDJOPZHUEVEWMD-CYBMUJFWSA-N 2 1 274.433 3.523 20 0 CHADMP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000222929250 1128179628 /nfs/dbraw/zinc/17/96/28/1128179628.db2.gz IEQWRASUGHPXSM-YQQAZPJKSA-N 2 1 290.451 3.609 20 0 CHADMP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000222929250 1128179632 /nfs/dbraw/zinc/17/96/32/1128179632.db2.gz IEQWRASUGHPXSM-YQQAZPJKSA-N 2 1 290.451 3.609 20 0 CHADMP CC(C)[N@@H+](C)CCCNCc1c(Cl)oc2ccccc21 ZINC000230346444 1128251315 /nfs/dbraw/zinc/25/13/15/1128251315.db2.gz MTJXHSMQDAYYBD-UHFFFAOYSA-N 2 1 294.826 3.906 20 0 CHADMP Cc1ccc2cc([C@H](C)[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)oc2c1 ZINC000495261295 1128255527 /nfs/dbraw/zinc/25/55/27/1128255527.db2.gz WKBHLIGKEFJLLT-GJZGRUSLSA-N 2 1 298.430 3.876 20 0 CHADMP Cc1ccc2cc([C@H](C)[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)oc2c1 ZINC000495261295 1128255533 /nfs/dbraw/zinc/25/55/33/1128255533.db2.gz WKBHLIGKEFJLLT-GJZGRUSLSA-N 2 1 298.430 3.876 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)c1 ZINC000494906684 1128210757 /nfs/dbraw/zinc/21/07/57/1128210757.db2.gz XGUOFKHINWEXPL-RVKKMQEKSA-N 2 1 274.452 3.661 20 0 CHADMP CCC[C@H](C)[NH2+]C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001257315427 1128232933 /nfs/dbraw/zinc/23/29/33/1128232933.db2.gz XSEBUJDRONHVEA-INIZCTEOSA-N 2 1 274.452 3.819 20 0 CHADMP CCCCCC[C@H](C)[N@H+](C)C1CC[NH+](CC)CC1 ZINC001257368537 1128276541 /nfs/dbraw/zinc/27/65/41/1128276541.db2.gz NWCNFUMGPYLBOI-HNNXBMFYSA-N 2 1 254.462 3.761 20 0 CHADMP CCCCCC[C@H](C)[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001257368537 1128276544 /nfs/dbraw/zinc/27/65/44/1128276544.db2.gz NWCNFUMGPYLBOI-HNNXBMFYSA-N 2 1 254.462 3.761 20 0 CHADMP C/C(=C\c1ccc(Cl)cc1)C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000561576387 1128338453 /nfs/dbraw/zinc/33/84/53/1128338453.db2.gz WMBGFBMSEWRDJD-SDNWHVSQSA-N 2 1 290.838 3.595 20 0 CHADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCCC(C)(F)F ZINC000931703996 1128377557 /nfs/dbraw/zinc/37/75/57/1128377557.db2.gz OJPXZHBEYORSEB-UHFFFAOYSA-N 2 1 276.415 3.620 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc3ccccc32)CC[N@@H+]1C ZINC000123412204 1128419539 /nfs/dbraw/zinc/41/95/39/1128419539.db2.gz RLLIQNJUMYSWCI-CRAIPNDOSA-N 2 1 282.431 3.754 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc3ccccc32)CC[N@H+]1C ZINC000123412204 1128419541 /nfs/dbraw/zinc/41/95/41/1128419541.db2.gz RLLIQNJUMYSWCI-CRAIPNDOSA-N 2 1 282.431 3.754 20 0 CHADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc3ccccc32)CC[NH+]1C ZINC000123412204 1128419543 /nfs/dbraw/zinc/41/95/43/1128419543.db2.gz RLLIQNJUMYSWCI-CRAIPNDOSA-N 2 1 282.431 3.754 20 0 CHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc3ccccc32)CC[NH+]1C ZINC000123412204 1128419545 /nfs/dbraw/zinc/41/95/45/1128419545.db2.gz RLLIQNJUMYSWCI-CRAIPNDOSA-N 2 1 282.431 3.754 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(C)c(C)cc2C)C1 ZINC000037644188 1128433895 /nfs/dbraw/zinc/43/38/95/1128433895.db2.gz TXXDJRJBDZNRTP-IRXDYDNUSA-N 2 1 274.452 3.604 20 0 CHADMP C[C@@H](c1cc2ccccc2o1)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000124847876 1128446203 /nfs/dbraw/zinc/44/62/03/1128446203.db2.gz YFYOXQADFFOHCO-HOCLYGCPSA-N 2 1 286.419 3.910 20 0 CHADMP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000124847876 1128446206 /nfs/dbraw/zinc/44/62/06/1128446206.db2.gz YFYOXQADFFOHCO-HOCLYGCPSA-N 2 1 286.419 3.910 20 0 CHADMP C[C@@H](c1cc2ccccc2o1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000124847876 1128446208 /nfs/dbraw/zinc/44/62/08/1128446208.db2.gz YFYOXQADFFOHCO-HOCLYGCPSA-N 2 1 286.419 3.910 20 0 CHADMP C[C@@H](c1cc2ccccc2o1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000124847876 1128446209 /nfs/dbraw/zinc/44/62/09/1128446209.db2.gz YFYOXQADFFOHCO-HOCLYGCPSA-N 2 1 286.419 3.910 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](c1ccccc1)C(C)C ZINC000127355101 1128476309 /nfs/dbraw/zinc/47/63/09/1128476309.db2.gz UMOVEQFLXULYMM-SFHVURJKSA-N 2 1 285.435 3.911 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](c1ccccc1)C(C)C ZINC000127355101 1128476310 /nfs/dbraw/zinc/47/63/10/1128476310.db2.gz UMOVEQFLXULYMM-SFHVURJKSA-N 2 1 285.435 3.911 20 0 CHADMP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](CC2CCC2)CC1 ZINC001202776566 1128486156 /nfs/dbraw/zinc/48/61/56/1128486156.db2.gz WDUZCJMOIFMKNH-UHFFFAOYSA-N 2 1 290.426 3.522 20 0 CHADMP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](CC2CCC2)CC1 ZINC001202776566 1128486159 /nfs/dbraw/zinc/48/61/59/1128486159.db2.gz WDUZCJMOIFMKNH-UHFFFAOYSA-N 2 1 290.426 3.522 20 0 CHADMP CC(C)Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000563904462 1128484067 /nfs/dbraw/zinc/48/40/67/1128484067.db2.gz YYZPUCULLKLRSZ-WMZOPIPTSA-N 2 1 288.479 3.878 20 0 CHADMP CC(C)CC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000128070949 1128486565 /nfs/dbraw/zinc/48/65/65/1128486565.db2.gz SMZVNUGHTXUUIH-IAGOWNOFSA-N 2 1 278.484 3.809 20 0 CHADMP Cc1cc(Cl)ccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000129888595 1128558221 /nfs/dbraw/zinc/55/82/21/1128558221.db2.gz OLYDHNNYGRZKMF-ALOPSCKCSA-N 2 1 292.854 3.753 20 0 CHADMP CC(C)=CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000567281241 1128561573 /nfs/dbraw/zinc/56/15/73/1128561573.db2.gz OELNHRXQPZJJKP-QZTJIDSGSA-N 2 1 272.436 3.768 20 0 CHADMP CC(C)=CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000567281241 1128561576 /nfs/dbraw/zinc/56/15/76/1128561576.db2.gz OELNHRXQPZJJKP-QZTJIDSGSA-N 2 1 272.436 3.768 20 0 CHADMP CC(C)[C@H](c1ccccc1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000565167704 1128521545 /nfs/dbraw/zinc/52/15/45/1128521545.db2.gz YCCSSNRIPCJGAX-GOSISDBHSA-N 2 1 285.435 3.682 20 0 CHADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000565167704 1128521551 /nfs/dbraw/zinc/52/15/51/1128521551.db2.gz YCCSSNRIPCJGAX-GOSISDBHSA-N 2 1 285.435 3.682 20 0 CHADMP CC(C)c1nc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)cs1 ZINC000565302535 1128524177 /nfs/dbraw/zinc/52/41/77/1128524177.db2.gz AXGXODBMWKIQGA-LBPRGKRZSA-N 2 1 289.448 3.576 20 0 CHADMP CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000565429545 1128526035 /nfs/dbraw/zinc/52/60/35/1128526035.db2.gz BIFCYRUCCNJALQ-SFHVURJKSA-N 2 1 299.462 3.614 20 0 CHADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000565429545 1128526038 /nfs/dbraw/zinc/52/60/38/1128526038.db2.gz BIFCYRUCCNJALQ-SFHVURJKSA-N 2 1 299.462 3.614 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCC2(C)C)C[C@@H]1c1ccccc1 ZINC000556192825 1128561633 /nfs/dbraw/zinc/56/16/33/1128561633.db2.gz AODOKZUTHIFTFU-BBWFWOEESA-N 2 1 272.436 3.600 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCC2(C)C)C[C@@H]1c1ccccc1 ZINC000556192825 1128561634 /nfs/dbraw/zinc/56/16/34/1128561634.db2.gz AODOKZUTHIFTFU-BBWFWOEESA-N 2 1 272.436 3.600 20 0 CHADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000567258118 1128561663 /nfs/dbraw/zinc/56/16/63/1128561663.db2.gz NVYPDZQVAKNMHS-YKXHTNLXSA-N 2 1 298.474 3.703 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H](CC(C)C)c2ccccc2)C1 ZINC000566225308 1128540586 /nfs/dbraw/zinc/54/05/86/1128540586.db2.gz CRBCSCJIBWZVMK-IEBWSBKVSA-N 2 1 288.479 3.748 20 0 CHADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCc3sc(Cl)cc32)CC1 ZINC000129498151 1128541947 /nfs/dbraw/zinc/54/19/47/1128541947.db2.gz HQSULIONXLHKEH-ZDUSSCGKSA-N 2 1 298.883 3.851 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c2ccsc2S1 ZINC000130163102 1128569740 /nfs/dbraw/zinc/56/97/40/1128569740.db2.gz HPLLKWWWQCKTSF-AAEUAGOBSA-N 2 1 298.521 3.851 20 0 CHADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc3ccccc3o2)C1 ZINC000567718568 1128570111 /nfs/dbraw/zinc/57/01/11/1128570111.db2.gz GYAXLBMSWDYBOV-HUUCEWRRSA-N 2 1 286.419 3.815 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc3ccccc3o2)C1 ZINC000567718568 1128570113 /nfs/dbraw/zinc/57/01/13/1128570113.db2.gz GYAXLBMSWDYBOV-HUUCEWRRSA-N 2 1 286.419 3.815 20 0 CHADMP C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1CCCc1c[nH+]cn1C ZINC000568178399 1128579499 /nfs/dbraw/zinc/57/94/99/1128579499.db2.gz NUGARVZCSTZHOI-GPMSIDNRSA-N 2 1 297.446 3.619 20 0 CHADMP C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CCCc1c[nH+]cn1C ZINC000568178399 1128579502 /nfs/dbraw/zinc/57/95/02/1128579502.db2.gz NUGARVZCSTZHOI-GPMSIDNRSA-N 2 1 297.446 3.619 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC(C)=C[C@H](C)C2)C[C@@H]1C ZINC000568455910 1128585269 /nfs/dbraw/zinc/58/52/69/1128585269.db2.gz HRYCKWDYOBBLFT-DKIMLUQUSA-N 2 1 278.484 3.783 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC(C)=C[C@H](C)C2)C[C@@H]1C ZINC000568455910 1128585271 /nfs/dbraw/zinc/58/52/71/1128585271.db2.gz HRYCKWDYOBBLFT-DKIMLUQUSA-N 2 1 278.484 3.783 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC(C)=C[C@H](C)C2)C[C@@H]1C ZINC000568455910 1128585273 /nfs/dbraw/zinc/58/52/73/1128585273.db2.gz HRYCKWDYOBBLFT-DKIMLUQUSA-N 2 1 278.484 3.783 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC2CC(c3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000568542896 1128586594 /nfs/dbraw/zinc/58/65/94/1128586594.db2.gz KVLTUITWCAKMIG-ABZWLXOVSA-N 2 1 298.474 3.643 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3c(Cl)cccc32)C1 ZINC000568801506 1128592477 /nfs/dbraw/zinc/59/24/77/1128592477.db2.gz XQIQNLYGOLPVIP-GUYCJALGSA-N 2 1 292.854 3.649 20 0 CHADMP CC1(C)CC[C@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000556583524 1128605848 /nfs/dbraw/zinc/60/58/48/1128605848.db2.gz IUYQHIFPJGUIIR-GDBMZVCRSA-N 2 1 292.492 3.738 20 0 CHADMP CC1(C)CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000556583524 1128605850 /nfs/dbraw/zinc/60/58/50/1128605850.db2.gz IUYQHIFPJGUIIR-GDBMZVCRSA-N 2 1 292.492 3.738 20 0 CHADMP Cc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)ccc1Cl ZINC000569859528 1128610846 /nfs/dbraw/zinc/61/08/46/1128610846.db2.gz WFMYUYWMZIDEEA-RDJZCZTQSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)ccc1Cl ZINC000569859528 1128610847 /nfs/dbraw/zinc/61/08/47/1128610847.db2.gz WFMYUYWMZIDEEA-RDJZCZTQSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)ccc1Cl ZINC000569859528 1128610851 /nfs/dbraw/zinc/61/08/51/1128610851.db2.gz WFMYUYWMZIDEEA-RDJZCZTQSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236214516 1128617729 /nfs/dbraw/zinc/61/77/29/1128617729.db2.gz FDVCPAYFIXOJLR-CVEARBPZSA-N 2 1 280.843 3.659 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236214516 1128617732 /nfs/dbraw/zinc/61/77/32/1128617732.db2.gz FDVCPAYFIXOJLR-CVEARBPZSA-N 2 1 280.843 3.659 20 0 CHADMP CCC[C@@H](C)[N@@H+](C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC000570336164 1128621487 /nfs/dbraw/zinc/62/14/87/1128621487.db2.gz USXBFEJVSRALKB-GDBMZVCRSA-N 2 1 294.508 3.999 20 0 CHADMP CCC[C@@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000570336164 1128621488 /nfs/dbraw/zinc/62/14/88/1128621488.db2.gz USXBFEJVSRALKB-GDBMZVCRSA-N 2 1 294.508 3.999 20 0 CHADMP CCC[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000570336164 1128621489 /nfs/dbraw/zinc/62/14/89/1128621489.db2.gz USXBFEJVSRALKB-GDBMZVCRSA-N 2 1 294.508 3.999 20 0 CHADMP CCC[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000570336164 1128621490 /nfs/dbraw/zinc/62/14/90/1128621490.db2.gz USXBFEJVSRALKB-GDBMZVCRSA-N 2 1 294.508 3.999 20 0 CHADMP CCC[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000570336164 1128621491 /nfs/dbraw/zinc/62/14/91/1128621491.db2.gz USXBFEJVSRALKB-GDBMZVCRSA-N 2 1 294.508 3.999 20 0 CHADMP C[NH+]1CCC([NH2+]Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000072726255 1128630013 /nfs/dbraw/zinc/63/00/13/1128630013.db2.gz LMGBQFXHZWKNIG-UHFFFAOYSA-N 2 1 296.414 3.663 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000572738103 1128647683 /nfs/dbraw/zinc/64/76/83/1128647683.db2.gz VXQQKWRJBPQXKL-KFKAGJAMSA-N 2 1 286.463 3.805 20 0 CHADMP CC(C)[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000132358066 1128648376 /nfs/dbraw/zinc/64/83/76/1128648376.db2.gz QNOJJOAYGXJBBF-LJQANCHMSA-N 2 1 286.463 3.675 20 0 CHADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000573947922 1128659810 /nfs/dbraw/zinc/65/98/10/1128659810.db2.gz QIYDBPNKVAOAAS-OALUTQOASA-N 2 1 286.463 3.598 20 0 CHADMP CC[N@@H+](CCCC1CC[NH+](CC2CC2)CC1)CC1CC1 ZINC000499247736 1128665559 /nfs/dbraw/zinc/66/55/59/1128665559.db2.gz PNPBWLJDJAXAIT-UHFFFAOYSA-N 2 1 278.484 3.621 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](C)C[C@H](C)CC(C)C)CC1 ZINC001258050571 1128692455 /nfs/dbraw/zinc/69/24/55/1128692455.db2.gz DTALDWVIPGIGTI-CABCVRRESA-N 2 1 254.462 3.521 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(Cl)c1 ZINC000034958904 1117754069 /nfs/dbraw/zinc/75/40/69/1117754069.db2.gz OAAQZYCIAGKPBI-GVZPALNKSA-N 2 1 278.827 3.616 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000034996404 1117790243 /nfs/dbraw/zinc/79/02/43/1117790243.db2.gz LMFLYUIPPOBKKI-HOTGVXAUSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C(C)(C)C ZINC000670265662 1117828869 /nfs/dbraw/zinc/82/88/69/1117828869.db2.gz PAEJAAUEDXDFKP-INMHGKMJSA-N 2 1 278.484 3.617 20 0 CHADMP C[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C(C)(C)C ZINC000670265662 1117828875 /nfs/dbraw/zinc/82/88/75/1117828875.db2.gz PAEJAAUEDXDFKP-INMHGKMJSA-N 2 1 278.484 3.617 20 0 CHADMP C[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C(C)(C)C ZINC000670265662 1117828880 /nfs/dbraw/zinc/82/88/80/1117828880.db2.gz PAEJAAUEDXDFKP-INMHGKMJSA-N 2 1 278.484 3.617 20 0 CHADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623439686 1117857544 /nfs/dbraw/zinc/85/75/44/1117857544.db2.gz TXQPDHKUPQECLQ-ILXRZTDVSA-N 2 1 266.473 3.664 20 0 CHADMP CCC(CC)(CC)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623446819 1117858307 /nfs/dbraw/zinc/85/83/07/1117858307.db2.gz SEXPVJKPABSUAW-AWEZNQCLSA-N 2 1 254.462 3.665 20 0 CHADMP CCC[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(C)(C)C ZINC000623538396 1117869637 /nfs/dbraw/zinc/86/96/37/1117869637.db2.gz BUHPIVMZQLWZLB-UONOGXRCSA-N 2 1 254.462 3.664 20 0 CHADMP C[C@H]([NH2+]CCc1cccs1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185709688 1117875634 /nfs/dbraw/zinc/87/56/34/1117875634.db2.gz XVMZOVWWSSPCPM-LSDHHAIUSA-N 2 1 292.492 3.533 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cccc2ccccc21 ZINC000177984246 1117884472 /nfs/dbraw/zinc/88/44/72/1117884472.db2.gz HGMOUMIVDNASEP-GQIGUUNPSA-N 2 1 296.458 3.701 20 0 CHADMP CC(C)[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000623656804 1117885622 /nfs/dbraw/zinc/88/56/22/1117885622.db2.gz CELMSXRUZBHTOX-PKOBYXMFSA-N 2 1 288.479 3.748 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(C)ccc1C ZINC000623861303 1117944735 /nfs/dbraw/zinc/94/47/35/1117944735.db2.gz URVRMGLAJIMFSI-QFBILLFUSA-N 2 1 286.463 3.828 20 0 CHADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1cc(C)ccc1C ZINC000623867676 1117946383 /nfs/dbraw/zinc/94/63/83/1117946383.db2.gz HIKIFOLNGOCBRW-SFHVURJKSA-N 2 1 285.435 3.939 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cc(C)ccc1C ZINC000623867012 1117948278 /nfs/dbraw/zinc/94/82/78/1117948278.db2.gz NGDSZVUDBBOWDQ-WMZOPIPTSA-N 2 1 274.452 3.686 20 0 CHADMP CC[C@H](CCc1ccccc1)[NH2+]CCCCn1cc[nH+]c1C ZINC000623899072 1117950641 /nfs/dbraw/zinc/95/06/41/1117950641.db2.gz ZQVDBJAPPNUPMF-LJQANCHMSA-N 2 1 299.462 3.973 20 0 CHADMP CC[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(C)cc1 ZINC000036996953 1117954680 /nfs/dbraw/zinc/95/46/80/1117954680.db2.gz GVGDKBGKDXNZHU-RCCFBDPRSA-N 2 1 272.436 3.663 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(C)cc1 ZINC000036996953 1117954688 /nfs/dbraw/zinc/95/46/88/1117954688.db2.gz GVGDKBGKDXNZHU-RCCFBDPRSA-N 2 1 272.436 3.663 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(C)cc1 ZINC000036996953 1117954693 /nfs/dbraw/zinc/95/46/93/1117954693.db2.gz GVGDKBGKDXNZHU-RCCFBDPRSA-N 2 1 272.436 3.663 20 0 CHADMP C[NH+]1CCC([NH2+][C@@H](c2cccs2)C2CCCC2)CC1 ZINC000037128733 1117968104 /nfs/dbraw/zinc/96/81/04/1117968104.db2.gz NRSWQPXRXLYUGD-MRXNPFEDSA-N 2 1 278.465 3.663 20 0 CHADMP CCCn1ccnc1CCC[N@@H+](C)C[C@@H]1CCCC[C@@H]1C ZINC000579407550 1128747562 /nfs/dbraw/zinc/74/75/62/1128747562.db2.gz GMKXXFXKJALLHO-IRXDYDNUSA-N 2 1 291.483 3.984 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1CCCC[C@@H]1C ZINC000579407550 1128747567 /nfs/dbraw/zinc/74/75/67/1128747567.db2.gz GMKXXFXKJALLHO-IRXDYDNUSA-N 2 1 291.483 3.984 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1CCCC[C@@H]1C ZINC000579407550 1128747570 /nfs/dbraw/zinc/74/75/70/1128747570.db2.gz GMKXXFXKJALLHO-IRXDYDNUSA-N 2 1 291.483 3.984 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc2ccccc2o1 ZINC000624120103 1117984625 /nfs/dbraw/zinc/98/46/25/1117984625.db2.gz RJOQOROWNUUUTG-HUUCEWRRSA-N 2 1 286.419 3.815 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc2ccccc2o1 ZINC000624120103 1117984629 /nfs/dbraw/zinc/98/46/29/1117984629.db2.gz RJOQOROWNUUUTG-HUUCEWRRSA-N 2 1 286.419 3.815 20 0 CHADMP CSc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624120248 1117985100 /nfs/dbraw/zinc/98/51/00/1117985100.db2.gz UTSKGVBSRLKDJN-HUUCEWRRSA-N 2 1 292.492 3.791 20 0 CHADMP Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1C ZINC000624120923 1117985999 /nfs/dbraw/zinc/98/59/99/1117985999.db2.gz KIGGADGZBYGEKK-IAGOWNOFSA-N 2 1 274.452 3.686 20 0 CHADMP CSc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624120247 1117986303 /nfs/dbraw/zinc/98/63/03/1117986303.db2.gz UTSKGVBSRLKDJN-GJZGRUSLSA-N 2 1 292.492 3.791 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccccc1Cl ZINC000624120375 1117986423 /nfs/dbraw/zinc/98/64/23/1117986423.db2.gz XPSCMRZYHSJDAZ-KGLIPLIRSA-N 2 1 280.843 3.723 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1Cl ZINC000624120375 1117986425 /nfs/dbraw/zinc/98/64/25/1117986425.db2.gz XPSCMRZYHSJDAZ-KGLIPLIRSA-N 2 1 280.843 3.723 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CC2CCC2)c2ccccc2)CC[N@@H+]1C ZINC000181814112 1118007369 /nfs/dbraw/zinc/00/73/69/1118007369.db2.gz IUVKCVNHBJKIAT-MNEFBYGVSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CC2CCC2)c2ccccc2)CC[N@H+]1C ZINC000181814112 1118007374 /nfs/dbraw/zinc/00/73/74/1118007374.db2.gz IUVKCVNHBJKIAT-MNEFBYGVSA-N 2 1 286.463 3.990 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCc2ccc(C)cc2)C1 ZINC000181943606 1118010635 /nfs/dbraw/zinc/01/06/35/1118010635.db2.gz BNWVCFDFLXFDEN-LJQANCHMSA-N 2 1 288.479 3.591 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCc2ccc(C)cc2)C1 ZINC000181943606 1118010639 /nfs/dbraw/zinc/01/06/39/1118010639.db2.gz BNWVCFDFLXFDEN-LJQANCHMSA-N 2 1 288.479 3.591 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCc2ccc(C)cc2)C1 ZINC000181943606 1118010642 /nfs/dbraw/zinc/01/06/42/1118010642.db2.gz BNWVCFDFLXFDEN-LJQANCHMSA-N 2 1 288.479 3.591 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cccc(Cl)c1 ZINC000037644054 1118033151 /nfs/dbraw/zinc/03/31/51/1118033151.db2.gz VMJWEHDTNXYKHC-CZUORRHYSA-N 2 1 280.843 3.723 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000366219542 1118053080 /nfs/dbraw/zinc/05/30/80/1118053080.db2.gz ASEBSVDIPJDWPT-AEFFLSMTSA-N 2 1 298.430 3.842 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000366219542 1118053085 /nfs/dbraw/zinc/05/30/85/1118053085.db2.gz ASEBSVDIPJDWPT-AEFFLSMTSA-N 2 1 298.430 3.842 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)CCC(C)(C)C)C1 ZINC000579620817 1128753228 /nfs/dbraw/zinc/75/32/28/1128753228.db2.gz CXMCFARMQMXPBY-HZPDHXFCSA-N 2 1 268.489 3.911 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccoc1 ZINC000370662124 1118063729 /nfs/dbraw/zinc/06/37/29/1118063729.db2.gz IYMUFVISIMOLLW-GJYPPUQNSA-N 2 1 298.430 3.841 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccoc1 ZINC000370662124 1118063735 /nfs/dbraw/zinc/06/37/35/1118063735.db2.gz IYMUFVISIMOLLW-GJYPPUQNSA-N 2 1 298.430 3.841 20 0 CHADMP C[C@@H]([NH2+]CCC1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185725410 1118064025 /nfs/dbraw/zinc/06/40/25/1118064025.db2.gz UISUSVYPZZDNMI-NVXWUHKLSA-N 2 1 278.484 3.809 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000398178208 1118091675 /nfs/dbraw/zinc/09/16/75/1118091675.db2.gz GXCBAVBJMGHLBG-AYOQOUSVSA-N 2 1 286.463 3.675 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000398178208 1118091681 /nfs/dbraw/zinc/09/16/81/1118091681.db2.gz GXCBAVBJMGHLBG-AYOQOUSVSA-N 2 1 286.463 3.675 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(C3CC3)c2)C1 ZINC000340188100 1118106097 /nfs/dbraw/zinc/10/60/97/1118106097.db2.gz DWYGJEZGKGYETG-GJZGRUSLSA-N 2 1 272.436 3.556 20 0 CHADMP Cc1cccc2[nH]c(C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cc21 ZINC000144100832 1118139395 /nfs/dbraw/zinc/13/93/95/1118139395.db2.gz PRMPNQRARHPTNQ-ZXFUBFMLSA-N 2 1 297.446 3.581 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225881070 1118167662 /nfs/dbraw/zinc/16/76/62/1118167662.db2.gz HBFQPUXTLRDIPE-CPUCHLNUSA-N 2 1 292.854 3.865 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225881070 1118167667 /nfs/dbraw/zinc/16/76/67/1118167667.db2.gz HBFQPUXTLRDIPE-CPUCHLNUSA-N 2 1 292.854 3.865 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CS1 ZINC000655691301 1118184980 /nfs/dbraw/zinc/18/49/80/1118184980.db2.gz SQNBMPPGZFDEAK-ARFHVFGLSA-N 2 1 284.513 3.515 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c(Cl)cccc32)CC[N@@H+]1C ZINC000542662802 1118194750 /nfs/dbraw/zinc/19/47/50/1118194750.db2.gz LLAXWOFCNRUDHE-PBFPGSCMSA-N 2 1 292.854 3.790 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c(Cl)cccc32)CC[N@H+]1C ZINC000542662802 1118194753 /nfs/dbraw/zinc/19/47/53/1118194753.db2.gz LLAXWOFCNRUDHE-PBFPGSCMSA-N 2 1 292.854 3.790 20 0 CHADMP CCC[N@H+](C)C[C@H]1CC[NH+](C/C=C\c2ccc(F)cc2)C1 ZINC000255056273 1118242573 /nfs/dbraw/zinc/24/25/73/1118242573.db2.gz SDAZFFDPOCSBAA-VGOKWCNXSA-N 2 1 290.426 3.503 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C/C=C\c2ccc(F)cc2)C1 ZINC000255056273 1118242577 /nfs/dbraw/zinc/24/25/77/1118242577.db2.gz SDAZFFDPOCSBAA-VGOKWCNXSA-N 2 1 290.426 3.503 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000255056273 1118242580 /nfs/dbraw/zinc/24/25/80/1118242580.db2.gz SDAZFFDPOCSBAA-VGOKWCNXSA-N 2 1 290.426 3.503 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000255056273 1118242583 /nfs/dbraw/zinc/24/25/83/1118242583.db2.gz SDAZFFDPOCSBAA-VGOKWCNXSA-N 2 1 290.426 3.503 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[C@@H](C)C2)cc1F ZINC001648903637 1118274239 /nfs/dbraw/zinc/27/42/39/1118274239.db2.gz UUUYSJJEQIAYOA-IUODEOHRSA-N 2 1 287.382 3.598 20 0 CHADMP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000655940933 1118277098 /nfs/dbraw/zinc/27/70/98/1118277098.db2.gz HUMMJHCVTIBNBS-RHSMWYFYSA-N 2 1 292.854 3.612 20 0 CHADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000655940933 1118277101 /nfs/dbraw/zinc/27/71/01/1118277101.db2.gz HUMMJHCVTIBNBS-RHSMWYFYSA-N 2 1 292.854 3.612 20 0 CHADMP Cc1ccc([C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)C2CCC2)o1 ZINC000580379388 1118440805 /nfs/dbraw/zinc/44/08/05/1118440805.db2.gz YKPZUUVUJRLNRK-KDOFPFPSSA-N 2 1 290.451 3.751 20 0 CHADMP CC1=C(C)C[C@@H]([C@@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C)CC1 ZINC001659951243 1118494539 /nfs/dbraw/zinc/49/45/39/1118494539.db2.gz FVRGRBXIYVASSX-ZACQAIPSSA-N 2 1 266.473 3.830 20 0 CHADMP CC1=C(C)C[C@@H]([C@@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC001659951243 1118494540 /nfs/dbraw/zinc/49/45/40/1118494540.db2.gz FVRGRBXIYVASSX-ZACQAIPSSA-N 2 1 266.473 3.830 20 0 CHADMP C1CC1[NH+]1CCC([NH2+][C@@H]2CCCC23CCCCC3)CC1 ZINC000313023529 1118528751 /nfs/dbraw/zinc/52/87/51/1118528751.db2.gz CLNLQQPAFRXWNO-QGZVFWFLSA-N 2 1 276.468 3.706 20 0 CHADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc2ncccc2c1 ZINC000349363020 1118534806 /nfs/dbraw/zinc/53/48/06/1118534806.db2.gz DODNONFSZIZPRF-UHFFFAOYSA-N 2 1 297.446 3.543 20 0 CHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000430551374 1118559203 /nfs/dbraw/zinc/55/92/03/1118559203.db2.gz HUJXLBHGOLDDTJ-VQIMIIECSA-N 2 1 296.458 3.832 20 0 CHADMP C[N@@H+](CCCn1ccnc1)CCc1ccc2ccccc2c1 ZINC000341133047 1118603474 /nfs/dbraw/zinc/60/34/74/1118603474.db2.gz VKWSLXZAGCNVBD-UHFFFAOYSA-N 2 1 293.414 3.601 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2cccc(C3CCCC3)c2)CC[C@H]1[NH3+] ZINC000656784905 1118657612 /nfs/dbraw/zinc/65/76/12/1118657612.db2.gz FDNXNDIBDMXLQZ-RDTXWAMCSA-N 2 1 272.436 3.513 20 0 CHADMP CC(C)[C@@H]1C[C@H](C[NH2+]C2CC[NH+](C)CC2)c2ccccc21 ZINC000341386091 1118682904 /nfs/dbraw/zinc/68/29/04/1118682904.db2.gz YJCXZGFMUBQMOZ-BEFAXECRSA-N 2 1 286.463 3.597 20 0 CHADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723691312 1118706718 /nfs/dbraw/zinc/70/67/18/1118706718.db2.gz MAGBJFWOEOBRSY-MNOVXSKESA-N 2 1 287.234 3.725 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000510751147 1118805851 /nfs/dbraw/zinc/80/58/51/1118805851.db2.gz LLSKLFPSAFNDPB-NJAFHUGGSA-N 2 1 278.484 3.523 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2CCCF)C1 ZINC000510752886 1118807471 /nfs/dbraw/zinc/80/74/71/1118807471.db2.gz OCHDAKLUSZLKDA-FGTMMUONSA-N 2 1 298.490 3.862 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H]2CCC[C@@H](C)C2)C1 ZINC000092565120 1118856374 /nfs/dbraw/zinc/85/63/74/1118856374.db2.gz DLFCCGNRGGPMMF-IKGGRYGDSA-N 2 1 266.473 3.523 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](Cc1ccc(C)cc1)C(C)C ZINC000510993509 1118922434 /nfs/dbraw/zinc/92/24/34/1118922434.db2.gz DXQBCRQWQHWKKW-LJQANCHMSA-N 2 1 299.462 3.747 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)CC(C)(C)C1 ZINC000226436736 1118928221 /nfs/dbraw/zinc/92/82/21/1118928221.db2.gz FEFUVGRQTHZHPI-BFYDXBDKSA-N 2 1 278.484 3.665 20 0 CHADMP CCSc1cccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000472048186 1118950210 /nfs/dbraw/zinc/95/02/10/1118950210.db2.gz OULQJWZRQYMKJW-WMLDXEAASA-N 2 1 292.492 3.619 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC001207282310 1119036471 /nfs/dbraw/zinc/03/64/71/1119036471.db2.gz HIMOXRHIZLOLEY-MRXNPFEDSA-N 2 1 262.441 3.657 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc2c(cccc2C)[nH]1 ZINC000657374407 1119040447 /nfs/dbraw/zinc/04/04/47/1119040447.db2.gz KDAIALXWDBFQNK-UHFFFAOYSA-N 2 1 296.418 3.551 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1c(C)cccc1C ZINC000342480109 1119047968 /nfs/dbraw/zinc/04/79/68/1119047968.db2.gz GZEIXKGUABCDLB-HNNXBMFYSA-N 2 1 271.408 3.549 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](Cc1cccc(Cl)c1)C(C)C ZINC000342550777 1119079372 /nfs/dbraw/zinc/07/93/72/1119079372.db2.gz UKWRPWAOOZPGLS-UHFFFAOYSA-N 2 1 291.826 3.756 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](Cc1cccc(Cl)c1)C(C)C ZINC000342550777 1119079376 /nfs/dbraw/zinc/07/93/76/1119079376.db2.gz UKWRPWAOOZPGLS-UHFFFAOYSA-N 2 1 291.826 3.756 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC2C[C@H](C)C[C@@H](C)C2)C1 ZINC001167575544 1119086015 /nfs/dbraw/zinc/08/60/15/1119086015.db2.gz CSHYGTYEQXZZPG-NUJGCVRESA-N 2 1 280.500 3.722 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CCC(C)(C)C ZINC000342735443 1119148403 /nfs/dbraw/zinc/14/84/03/1119148403.db2.gz ORXVJFNLNPZWKA-KBPBESRZSA-N 2 1 265.445 3.632 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000393624308 1119156268 /nfs/dbraw/zinc/15/62/68/1119156268.db2.gz GVFAJENXAZOYGQ-IEBWSBKVSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C1CC(F)(F)C1 ZINC000628203027 1128826973 /nfs/dbraw/zinc/82/69/73/1128826973.db2.gz QLEMYJOKKPIGMD-KGLIPLIRSA-N 2 1 288.426 3.522 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000075819442 1119181736 /nfs/dbraw/zinc/18/17/36/1119181736.db2.gz YRACEZQZGMYSGD-UHFFFAOYSA-N 2 1 277.456 3.776 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1)CC(C)C ZINC000342858811 1119213053 /nfs/dbraw/zinc/21/30/53/1119213053.db2.gz GJAAERZPLJDNQF-UHFFFAOYSA-N 2 1 285.435 3.740 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1)CC(C)C ZINC000342858811 1119213056 /nfs/dbraw/zinc/21/30/56/1119213056.db2.gz GJAAERZPLJDNQF-UHFFFAOYSA-N 2 1 285.435 3.740 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000342861011 1119214294 /nfs/dbraw/zinc/21/42/94/1119214294.db2.gz UNNVNPLRAGKIRL-LJQANCHMSA-N 2 1 297.446 3.679 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000342861011 1119214297 /nfs/dbraw/zinc/21/42/97/1119214297.db2.gz UNNVNPLRAGKIRL-LJQANCHMSA-N 2 1 297.446 3.679 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)F)CC[N@@H+]1Cc1ccccc1 ZINC000657644715 1119219740 /nfs/dbraw/zinc/21/97/40/1119219740.db2.gz BBPSXJLZVPNQMC-WBVHZDCISA-N 2 1 292.442 3.767 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)F)CC[N@H+]1Cc1ccccc1 ZINC000657644715 1119219744 /nfs/dbraw/zinc/21/97/44/1119219744.db2.gz BBPSXJLZVPNQMC-WBVHZDCISA-N 2 1 292.442 3.767 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000343090272 1119307157 /nfs/dbraw/zinc/30/71/57/1119307157.db2.gz DPSOSMPNGOVSSV-QRQLOZEOSA-N 2 1 286.463 3.644 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000343090271 1119307264 /nfs/dbraw/zinc/30/72/64/1119307264.db2.gz DPSOSMPNGOVSSV-NZSAHSFTSA-N 2 1 286.463 3.644 20 0 CHADMP FC(F)(F)CCCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000154381072 1119310881 /nfs/dbraw/zinc/31/08/81/1119310881.db2.gz JCVMYNVOYLNFAJ-AWEZNQCLSA-N 2 1 292.389 3.527 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCC(C(C)(C)C)CC2)C1 ZINC000044535180 1119343377 /nfs/dbraw/zinc/34/33/77/1119343377.db2.gz MEADABIQHUIGMT-FHERZECASA-N 2 1 266.473 3.523 20 0 CHADMP CC1(C)C[C@]1(C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657761860 1119361261 /nfs/dbraw/zinc/36/12/61/1119361261.db2.gz TXKANVGTMNRTQM-HKUYNNGSSA-N 2 1 298.474 3.962 20 0 CHADMP CC1(C)C[C@]1(C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657761860 1119361264 /nfs/dbraw/zinc/36/12/64/1119361264.db2.gz TXKANVGTMNRTQM-HKUYNNGSSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccnc(Cl)c1 ZINC000161782775 1119381447 /nfs/dbraw/zinc/38/14/47/1119381447.db2.gz PDBOTPDNEBKRKF-AWEZNQCLSA-N 2 1 295.858 3.508 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CC1 ZINC000657773352 1119382800 /nfs/dbraw/zinc/38/28/00/1119382800.db2.gz QSYFFCBJONRBEQ-APWZRJJASA-N 2 1 298.474 3.677 20 0 CHADMP Cc1ccc2[nH+]ccc(N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2c1 ZINC000343365157 1119397981 /nfs/dbraw/zinc/39/79/81/1119397981.db2.gz LTYVJGYWPZTYTH-XYPWUTKMSA-N 2 1 295.430 3.605 20 0 CHADMP C[N@@H+](CCC[NH2+][C@@H]1CC2CCC1CC2)Cc1ccccc1 ZINC000382293232 1119400571 /nfs/dbraw/zinc/40/05/71/1119400571.db2.gz QGONBFAUBDMFCE-NKELODKYSA-N 2 1 286.463 3.677 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000151134472 1119409037 /nfs/dbraw/zinc/40/90/37/1119409037.db2.gz KLAHBVARYCKHHI-CXAGYDPISA-N 2 1 292.854 3.649 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(CC)s2)C1 ZINC000151140195 1119411033 /nfs/dbraw/zinc/41/10/33/1119411033.db2.gz YDANFCZREMPYLR-UONOGXRCSA-N 2 1 280.481 3.693 20 0 CHADMP CC(C)C(C(C)C)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000926539701 1119436942 /nfs/dbraw/zinc/43/69/42/1119436942.db2.gz GXMCCIFNUXPPAR-WZYMTQMTSA-N 2 1 266.473 3.518 20 0 CHADMP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C(C)(C)C(F)F ZINC000657846217 1119506806 /nfs/dbraw/zinc/50/68/06/1119506806.db2.gz SRGUPNNXUILYAD-CHWSQXEVSA-N 2 1 290.442 3.766 20 0 CHADMP C[C@@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1)C(C)(C)C(F)F ZINC000657846217 1119506810 /nfs/dbraw/zinc/50/68/10/1119506810.db2.gz SRGUPNNXUILYAD-CHWSQXEVSA-N 2 1 290.442 3.766 20 0 CHADMP C[C@@H](c1cccc(F)c1)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081636444 1119519595 /nfs/dbraw/zinc/51/95/95/1119519595.db2.gz PMCPFIQGCMVPJH-GOEBONIOSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081636444 1119519598 /nfs/dbraw/zinc/51/95/98/1119519598.db2.gz PMCPFIQGCMVPJH-GOEBONIOSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@@H](c1cccc(F)c1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081636444 1119519601 /nfs/dbraw/zinc/51/96/01/1119519601.db2.gz PMCPFIQGCMVPJH-GOEBONIOSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@@H](c1cccc(F)c1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081636444 1119519604 /nfs/dbraw/zinc/51/96/04/1119519604.db2.gz PMCPFIQGCMVPJH-GOEBONIOSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@@H](c1cccc(F)c1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081636444 1119519608 /nfs/dbraw/zinc/51/96/08/1119519608.db2.gz PMCPFIQGCMVPJH-GOEBONIOSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@]1(C)CCCS1 ZINC000628202678 1119525610 /nfs/dbraw/zinc/52/56/10/1119525610.db2.gz CYWBIKRMIQFYGE-HZPDHXFCSA-N 2 1 284.513 3.516 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C1CC(F)(F)C1 ZINC000628203029 1119526096 /nfs/dbraw/zinc/52/60/96/1119526096.db2.gz QLEMYJOKKPIGMD-ZIAGYGMSSA-N 2 1 288.426 3.522 20 0 CHADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000231439035 1119589177 /nfs/dbraw/zinc/58/91/77/1119589177.db2.gz PXFIUZYKQAQFJV-MAUKXSAKSA-N 2 1 298.430 3.654 20 0 CHADMP Cc1cc(Cl)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000468390998 1119598261 /nfs/dbraw/zinc/59/82/61/1119598261.db2.gz AQWZYVPWPIRWBI-NVXWUHKLSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(Cl)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000468390998 1119598263 /nfs/dbraw/zinc/59/82/63/1119598263.db2.gz AQWZYVPWPIRWBI-NVXWUHKLSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000468390998 1119598266 /nfs/dbraw/zinc/59/82/66/1119598266.db2.gz AQWZYVPWPIRWBI-NVXWUHKLSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000468390998 1119598269 /nfs/dbraw/zinc/59/82/69/1119598269.db2.gz AQWZYVPWPIRWBI-NVXWUHKLSA-N 2 1 292.854 3.565 20 0 CHADMP CC(C)Sc1ccc([C@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000151937602 1119605449 /nfs/dbraw/zinc/60/54/49/1119605449.db2.gz YPPUPFBZNMYSCT-AWEZNQCLSA-N 2 1 280.481 3.789 20 0 CHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cscc3Cl)C2)CC1 ZINC000685462803 1119610528 /nfs/dbraw/zinc/61/05/28/1119610528.db2.gz HZOCEXHHINJCES-ZDUSSCGKSA-N 2 1 298.883 3.565 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](C)C(C)(C)C ZINC000685462739 1119610757 /nfs/dbraw/zinc/61/07/57/1119610757.db2.gz FQWKAEKPOXFHLC-OAHLLOKOSA-N 2 1 279.472 3.840 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC000685462739 1119610760 /nfs/dbraw/zinc/61/07/60/1119610760.db2.gz FQWKAEKPOXFHLC-OAHLLOKOSA-N 2 1 279.472 3.840 20 0 CHADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc2cnccc2c1 ZINC000685459720 1119612512 /nfs/dbraw/zinc/61/25/12/1119612512.db2.gz CCVDJODZIUUREO-UHFFFAOYSA-N 2 1 297.446 3.543 20 0 CHADMP CC(C)N1CCC([NH2+][C@@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000657909772 1119626538 /nfs/dbraw/zinc/62/65/38/1119626538.db2.gz SEBFZTRSQYPFBK-LBPRGKRZSA-N 2 1 297.393 3.543 20 0 CHADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000657909772 1119626541 /nfs/dbraw/zinc/62/65/41/1119626541.db2.gz SEBFZTRSQYPFBK-LBPRGKRZSA-N 2 1 297.393 3.543 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000685657881 1119647863 /nfs/dbraw/zinc/64/78/63/1119647863.db2.gz IYXDLBSCZAYHJU-ZIAGYGMSSA-N 2 1 290.442 3.910 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000685657881 1119647864 /nfs/dbraw/zinc/64/78/64/1119647864.db2.gz IYXDLBSCZAYHJU-ZIAGYGMSSA-N 2 1 290.442 3.910 20 0 CHADMP CC(C)(C)CC[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309722381 1119657690 /nfs/dbraw/zinc/65/76/90/1119657690.db2.gz MOJVOZVDRYEVFB-LJQANCHMSA-N 2 1 288.479 3.924 20 0 CHADMP C[C@@H](Cc1cccs1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658229264 1119706919 /nfs/dbraw/zinc/70/69/19/1119706919.db2.gz PYPGSUHNPDOHOH-LSDHHAIUSA-N 2 1 292.492 3.676 20 0 CHADMP C[C@@H](Cc1cccs1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658229264 1119706921 /nfs/dbraw/zinc/70/69/21/1119706921.db2.gz PYPGSUHNPDOHOH-LSDHHAIUSA-N 2 1 292.492 3.676 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccs2)C[C@H]1c1ccccc1 ZINC000340182707 1119745446 /nfs/dbraw/zinc/74/54/46/1119745446.db2.gz NLDMSCYNHLJWFK-WBVHZDCISA-N 2 1 286.444 3.673 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccs2)C[C@H]1c1ccccc1 ZINC000340182707 1119745449 /nfs/dbraw/zinc/74/54/49/1119745449.db2.gz NLDMSCYNHLJWFK-WBVHZDCISA-N 2 1 286.444 3.673 20 0 CHADMP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000317039715 1119827974 /nfs/dbraw/zinc/82/79/74/1119827974.db2.gz FUWBUOIAVSTPNU-MJXNMMHHSA-N 2 1 296.414 3.881 20 0 CHADMP CC[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)o2)CC[C@H]1[NH3+] ZINC000647497864 1119847275 /nfs/dbraw/zinc/84/72/75/1119847275.db2.gz YJUSKTJZPKYKIZ-WMLDXEAASA-N 2 1 284.403 3.506 20 0 CHADMP Cc1cc(C)cc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000414177551 1119927682 /nfs/dbraw/zinc/92/76/82/1119927682.db2.gz JTIPYJNQMDMYKA-IRXDYDNUSA-N 2 1 274.452 3.686 20 0 CHADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(F)c1 ZINC000414176114 1119927813 /nfs/dbraw/zinc/92/78/13/1119927813.db2.gz HZPJKWRHYJGTDN-PBHICJAKSA-N 2 1 278.415 3.598 20 0 CHADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C)cc1 ZINC000414191970 1119932004 /nfs/dbraw/zinc/93/20/04/1119932004.db2.gz SQJGTNIQXCNRAU-FUHWJXTLSA-N 2 1 274.452 3.768 20 0 CHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCc3cc(F)ccc32)C1 ZINC000414192081 1119932138 /nfs/dbraw/zinc/93/21/38/1119932138.db2.gz SIPMGRMGNLAOCJ-RDTXWAMCSA-N 2 1 290.426 3.525 20 0 CHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCc3cc(F)ccc32)C1 ZINC000414192076 1119932239 /nfs/dbraw/zinc/93/22/39/1119932239.db2.gz SIPMGRMGNLAOCJ-KDOFPFPSSA-N 2 1 290.426 3.525 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc2ccccc2n1 ZINC000414189806 1119932865 /nfs/dbraw/zinc/93/28/65/1119932865.db2.gz RJSOUNXUIMXFTR-CVEARBPZSA-N 2 1 297.446 3.617 20 0 CHADMP Cc1oc(C(C)(C)C)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000892607580 1119976014 /nfs/dbraw/zinc/97/60/14/1119976014.db2.gz KSEOAYOJTOMAHJ-CVEARBPZSA-N 2 1 290.451 3.602 20 0 CHADMP Cc1oc(C(C)(C)C)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000892607580 1119976020 /nfs/dbraw/zinc/97/60/20/1119976020.db2.gz KSEOAYOJTOMAHJ-CVEARBPZSA-N 2 1 290.451 3.602 20 0 CHADMP FC1CCC(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000647553136 1120010422 /nfs/dbraw/zinc/01/04/22/1120010422.db2.gz BPWFFMGKQLOVKJ-XAWIXRBMSA-N 2 1 290.426 3.598 20 0 CHADMP C[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000623657332 1120065106 /nfs/dbraw/zinc/06/51/06/1120065106.db2.gz NXGXUACVWBIDCO-CABCVRRESA-N 2 1 294.870 3.765 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000179313382 1120092564 /nfs/dbraw/zinc/09/25/64/1120092564.db2.gz SQYRPQVHQALPTF-IRXDYDNUSA-N 2 1 275.440 3.626 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000179313382 1120092567 /nfs/dbraw/zinc/09/25/67/1120092567.db2.gz SQYRPQVHQALPTF-IRXDYDNUSA-N 2 1 275.440 3.626 20 0 CHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000624122683 1120105276 /nfs/dbraw/zinc/10/52/76/1120105276.db2.gz YOEOFPCFBQMMFC-QRQLOZEOSA-N 2 1 286.463 3.644 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1csc2ccccc12 ZINC000765834078 1120114998 /nfs/dbraw/zinc/11/49/98/1120114998.db2.gz PCSGZYQFBCJTLX-GFCCVEGCSA-N 2 1 274.433 3.646 20 0 CHADMP c1ccc([C@@H]2CCCC[C@@H]2[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000378867789 1120136805 /nfs/dbraw/zinc/13/68/05/1120136805.db2.gz GCWSMUBIXYGWPY-PMACEKPBSA-N 2 1 298.474 3.929 20 0 CHADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000474726188 1120150311 /nfs/dbraw/zinc/15/03/11/1120150311.db2.gz OABSADTXCJFTPK-XHSDSOJGSA-N 2 1 292.467 3.507 20 0 CHADMP CC(C)[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000314114592 1120170962 /nfs/dbraw/zinc/17/09/62/1120170962.db2.gz ILTIJBLXWQJOBJ-SFHVURJKSA-N 2 1 290.426 3.739 20 0 CHADMP C[C@@H](c1cccc(F)c1)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000472774027 1120171535 /nfs/dbraw/zinc/17/15/35/1120171535.db2.gz RKJABCCTQNBIJL-WMLDXEAASA-N 2 1 278.415 3.693 20 0 CHADMP C[C@@H](c1cccc(F)c1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000472774027 1120171537 /nfs/dbraw/zinc/17/15/37/1120171537.db2.gz RKJABCCTQNBIJL-WMLDXEAASA-N 2 1 278.415 3.693 20 0 CHADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000472774027 1120171541 /nfs/dbraw/zinc/17/15/41/1120171541.db2.gz RKJABCCTQNBIJL-WMLDXEAASA-N 2 1 278.415 3.693 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)C2CCC(F)(F)CC2)C1 ZINC000685455739 1120177979 /nfs/dbraw/zinc/17/79/79/1120177979.db2.gz ZMDNNSCJPUKUDJ-UONOGXRCSA-N 2 1 288.426 3.520 20 0 CHADMP CC(C)c1ccc([C@@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000314265879 1120180506 /nfs/dbraw/zinc/18/05/06/1120180506.db2.gz IFRJENHYCSSXSP-LZQZEXGQSA-N 2 1 286.463 3.802 20 0 CHADMP CC[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccccc1OC(F)F ZINC000665248888 1120182607 /nfs/dbraw/zinc/18/26/07/1120182607.db2.gz FHSZZSUZWLKMCD-CYBMUJFWSA-N 2 1 298.377 3.600 20 0 CHADMP [NH3+]C1(C[NH2+][C@@H]2CCSc3c(Cl)cccc32)CCCC1 ZINC000665249360 1120183224 /nfs/dbraw/zinc/18/32/24/1120183224.db2.gz OLZWKELFJUYPMU-CYBMUJFWSA-N 2 1 296.867 3.738 20 0 CHADMP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000472851299 1120210959 /nfs/dbraw/zinc/21/09/59/1120210959.db2.gz CUPDJWVRIFNYDI-HIFRSBDPSA-N 2 1 296.405 3.832 20 0 CHADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000472851299 1120210962 /nfs/dbraw/zinc/21/09/62/1120210962.db2.gz CUPDJWVRIFNYDI-HIFRSBDPSA-N 2 1 296.405 3.832 20 0 CHADMP C[C@H](c1ccc(F)c(F)c1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000472851299 1120210965 /nfs/dbraw/zinc/21/09/65/1120210965.db2.gz CUPDJWVRIFNYDI-HIFRSBDPSA-N 2 1 296.405 3.832 20 0 CHADMP C[C@H](c1ccc(F)c(F)c1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000472851299 1120210969 /nfs/dbraw/zinc/21/09/69/1120210969.db2.gz CUPDJWVRIFNYDI-HIFRSBDPSA-N 2 1 296.405 3.832 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000086943280 1120222885 /nfs/dbraw/zinc/22/28/85/1120222885.db2.gz CAOQWYQGABJRFO-CVEARBPZSA-N 2 1 278.484 3.808 20 0 CHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1F ZINC000216004747 1120241759 /nfs/dbraw/zinc/24/17/59/1120241759.db2.gz XBLGZASWTBNITQ-LSDHHAIUSA-N 2 1 278.415 3.741 20 0 CHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccccc1F ZINC000216004747 1120241763 /nfs/dbraw/zinc/24/17/63/1120241763.db2.gz XBLGZASWTBNITQ-LSDHHAIUSA-N 2 1 278.415 3.741 20 0 CHADMP C[C@@H](C[NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000216028673 1120242455 /nfs/dbraw/zinc/24/24/55/1120242455.db2.gz UOYWQACWGYAADK-IRXDYDNUSA-N 2 1 274.452 3.644 20 0 CHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@](C)(c2ccccc2)C1 ZINC000472939678 1120276181 /nfs/dbraw/zinc/27/61/81/1120276181.db2.gz KLCIGNBCUWOKCF-MOPGFXCFSA-N 2 1 286.463 3.524 20 0 CHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000472939678 1120276184 /nfs/dbraw/zinc/27/61/84/1120276184.db2.gz KLCIGNBCUWOKCF-MOPGFXCFSA-N 2 1 286.463 3.524 20 0 CHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000472939678 1120276186 /nfs/dbraw/zinc/27/61/86/1120276186.db2.gz KLCIGNBCUWOKCF-MOPGFXCFSA-N 2 1 286.463 3.524 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CC4CCC3CC4)CC2)cc1 ZINC000382027042 1120311923 /nfs/dbraw/zinc/31/19/23/1120311923.db2.gz BMBBPGGWIBAOCG-OUNSHVDWSA-N 2 1 298.474 3.819 20 0 CHADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(C(C)C)c2)C1 ZINC000659989313 1120328603 /nfs/dbraw/zinc/32/86/03/1120328603.db2.gz IHAODOZBSBPLBL-QGZVFWFLSA-N 2 1 274.452 3.584 20 0 CHADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(C(C)C)c2)C1 ZINC000659989313 1120328607 /nfs/dbraw/zinc/32/86/07/1120328607.db2.gz IHAODOZBSBPLBL-QGZVFWFLSA-N 2 1 274.452 3.584 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(C(C)C)c2)C1 ZINC000659989313 1120328611 /nfs/dbraw/zinc/32/86/11/1120328611.db2.gz IHAODOZBSBPLBL-QGZVFWFLSA-N 2 1 274.452 3.584 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(C(C)C)c2)C1 ZINC000659989313 1120328615 /nfs/dbraw/zinc/32/86/15/1120328615.db2.gz IHAODOZBSBPLBL-QGZVFWFLSA-N 2 1 274.452 3.584 20 0 CHADMP C[NH+]1CCC[C@@H]2C[N@H+](CC[C@H]3CCc4ccccc43)CC[C@H]21 ZINC000660009769 1120339065 /nfs/dbraw/zinc/33/90/65/1120339065.db2.gz ACHBPBQAQHRWLQ-QWFCFKBJSA-N 2 1 298.474 3.523 20 0 CHADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC[C@H]3CCc4ccccc43)CC[C@H]21 ZINC000660009769 1120339066 /nfs/dbraw/zinc/33/90/66/1120339066.db2.gz ACHBPBQAQHRWLQ-QWFCFKBJSA-N 2 1 298.474 3.523 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000393624306 1120357125 /nfs/dbraw/zinc/35/71/25/1120357125.db2.gz GVFAJENXAZOYGQ-HKUYNNGSSA-N 2 1 286.463 3.677 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(SC)c2)[C@H](C)C1 ZINC000660082990 1120369236 /nfs/dbraw/zinc/36/92/36/1120369236.db2.gz PTAGGTBKIPKIJH-RHSMWYFYSA-N 2 1 292.492 3.571 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(SC)c2)[C@H](C)C1 ZINC000660082990 1120369240 /nfs/dbraw/zinc/36/92/40/1120369240.db2.gz PTAGGTBKIPKIJH-RHSMWYFYSA-N 2 1 292.492 3.571 20 0 CHADMP CC[C@@H](C)C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309883667 1120373143 /nfs/dbraw/zinc/37/31/43/1120373143.db2.gz KMOKEDDJOVJZQE-SJLPKXTDSA-N 2 1 274.452 3.534 20 0 CHADMP CCC[C@H](C)CCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000629548177 1128915003 /nfs/dbraw/zinc/91/50/03/1128915003.db2.gz MMWXCMNNBMREEL-BSDSXHPESA-N 2 1 296.499 3.564 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417332156 1120428917 /nfs/dbraw/zinc/42/89/17/1120428917.db2.gz NPFAJRBLVNRGHS-YHUYYLMFSA-N 2 1 292.492 3.704 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417332156 1120428920 /nfs/dbraw/zinc/42/89/20/1120428920.db2.gz NPFAJRBLVNRGHS-YHUYYLMFSA-N 2 1 292.492 3.704 20 0 CHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CC23CC3)CC1 ZINC000417338989 1120430931 /nfs/dbraw/zinc/43/09/31/1120430931.db2.gz NNNYTACLUYIMLC-LMDPOFIKSA-N 2 1 298.474 3.819 20 0 CHADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417354194 1120434337 /nfs/dbraw/zinc/43/43/37/1120434337.db2.gz ZBORQRVYKQFBGR-CBBWQLFWSA-N 2 1 280.481 3.558 20 0 CHADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417354194 1120434339 /nfs/dbraw/zinc/43/43/39/1120434339.db2.gz ZBORQRVYKQFBGR-CBBWQLFWSA-N 2 1 280.481 3.558 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C2CC2)cc1 ZINC000417356890 1120435891 /nfs/dbraw/zinc/43/58/91/1120435891.db2.gz QNRJSGXHKSMEFO-SUNYJGFJSA-N 2 1 272.436 3.697 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C2CC2)cc1 ZINC000417356890 1120435894 /nfs/dbraw/zinc/43/58/94/1120435894.db2.gz QNRJSGXHKSMEFO-SUNYJGFJSA-N 2 1 272.436 3.697 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417367581 1120438950 /nfs/dbraw/zinc/43/89/50/1120438950.db2.gz NZJHRRMFZWJTCI-FXUDXRNXSA-N 2 1 292.492 3.562 20 0 CHADMP CN1CCC[C@@H](C[N@@H+](C)[C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000543203718 1120462140 /nfs/dbraw/zinc/46/21/40/1120462140.db2.gz VPTKCGWFAKFUNC-CXAGYDPISA-N 2 1 292.854 3.601 20 0 CHADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCc2ccc(Cl)cc21 ZINC000543203718 1120462142 /nfs/dbraw/zinc/46/21/42/1120462142.db2.gz VPTKCGWFAKFUNC-CXAGYDPISA-N 2 1 292.854 3.601 20 0 CHADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCc2ccc(Cl)cc21 ZINC000543203718 1120462143 /nfs/dbraw/zinc/46/21/43/1120462143.db2.gz VPTKCGWFAKFUNC-CXAGYDPISA-N 2 1 292.854 3.601 20 0 CHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]CC(C)(C)C)CC1 ZINC000116367537 1120469061 /nfs/dbraw/zinc/46/90/61/1120469061.db2.gz JATQNBQKJXDQEK-OAHLLOKOSA-N 2 1 274.452 3.848 20 0 CHADMP Clc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119717357 1120480788 /nfs/dbraw/zinc/48/07/88/1120480788.db2.gz XNQNPFZLGWOELF-QGZVFWFLSA-N 2 1 290.838 3.544 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2CCCC[C@@H]2C)CC1 ZINC000543398278 1120508870 /nfs/dbraw/zinc/50/88/70/1120508870.db2.gz RVNUBEJRHNSQNM-JKSUJKDBSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@H](CC[NH2+][C@@H](C)c1ccccc1F)[NH+]1CCCCC1 ZINC000543416423 1120518124 /nfs/dbraw/zinc/51/81/24/1120518124.db2.gz KRFBKCNGBGABDB-CABCVRRESA-N 2 1 278.415 3.741 20 0 CHADMP CC(C)C[C@@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000019913241 1120549427 /nfs/dbraw/zinc/54/94/27/1120549427.db2.gz AYPYIMFIJPPYSH-MRXNPFEDSA-N 2 1 262.441 3.533 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000499945001 1120559925 /nfs/dbraw/zinc/55/99/25/1120559925.db2.gz KEHDJRGUERNZQR-AWEZNQCLSA-N 2 1 280.843 3.819 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000499945001 1120559928 /nfs/dbraw/zinc/55/99/28/1120559928.db2.gz KEHDJRGUERNZQR-AWEZNQCLSA-N 2 1 280.843 3.819 20 0 CHADMP CSCC1CCC([NH2+][C@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000925677801 1120565271 /nfs/dbraw/zinc/56/52/71/1120565271.db2.gz ABDBIJJNDPHOKG-DXCHVLGVSA-N 2 1 292.492 3.586 20 0 CHADMP CSCC1CCC([NH2+][C@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000925677807 1120565292 /nfs/dbraw/zinc/56/52/92/1120565292.db2.gz ABDBIJJNDPHOKG-LYSZQXJVSA-N 2 1 292.492 3.586 20 0 CHADMP CC[N@@H+](CCC1CC[NH+](CCCCF)CC1)CC1CC1 ZINC000508990717 1120577029 /nfs/dbraw/zinc/57/70/29/1120577029.db2.gz IMDPTFVMTUVSTD-UHFFFAOYSA-N 2 1 284.463 3.570 20 0 CHADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C1CCCCCCC1 ZINC000759858180 1120588872 /nfs/dbraw/zinc/58/88/72/1120588872.db2.gz ZTLJWSQXPYEMGB-MRXNPFEDSA-N 2 1 252.446 3.515 20 0 CHADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C1CCCCCCC1 ZINC000759858180 1120588877 /nfs/dbraw/zinc/58/88/77/1120588877.db2.gz ZTLJWSQXPYEMGB-MRXNPFEDSA-N 2 1 252.446 3.515 20 0 CHADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C1CCCCCCC1 ZINC000759858180 1120588879 /nfs/dbraw/zinc/58/88/79/1120588879.db2.gz ZTLJWSQXPYEMGB-MRXNPFEDSA-N 2 1 252.446 3.515 20 0 CHADMP CCC(CC)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398215919 1120594240 /nfs/dbraw/zinc/59/42/40/1120594240.db2.gz RCKZIAMJWUKYSV-QFBILLFUSA-N 2 1 288.479 3.923 20 0 CHADMP CCC(CC)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398215917 1120594304 /nfs/dbraw/zinc/59/43/04/1120594304.db2.gz RCKZIAMJWUKYSV-APWZRJJASA-N 2 1 288.479 3.923 20 0 CHADMP CC1=CC[C@@H](CC[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)C1(C)C ZINC001222421119 1120595357 /nfs/dbraw/zinc/59/53/57/1120595357.db2.gz IOLSTFLSWHAFFY-WMZOPIPTSA-N 2 1 276.468 3.587 20 0 CHADMP CC1=CC[C@@H](CC[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)C1(C)C ZINC001222421119 1120595360 /nfs/dbraw/zinc/59/53/60/1120595360.db2.gz IOLSTFLSWHAFFY-WMZOPIPTSA-N 2 1 276.468 3.587 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C[C@H]1C ZINC000398282430 1120600091 /nfs/dbraw/zinc/60/00/91/1120600091.db2.gz AOSKFGMNBSJQBL-ZPNQOMQUSA-N 2 1 298.474 3.531 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C[C@H]1C ZINC000398282430 1120600095 /nfs/dbraw/zinc/60/00/95/1120600095.db2.gz AOSKFGMNBSJQBL-ZPNQOMQUSA-N 2 1 298.474 3.531 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2ccc(C)cc2)C[C@H]1C ZINC000544144921 1120666867 /nfs/dbraw/zinc/66/68/67/1120666867.db2.gz ALYYPTNLAWVPGD-IEBWSBKVSA-N 2 1 288.479 3.732 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2ccc(C)cc2)C[C@H]1C ZINC000544144921 1120666869 /nfs/dbraw/zinc/66/68/69/1120666869.db2.gz ALYYPTNLAWVPGD-IEBWSBKVSA-N 2 1 288.479 3.732 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2ccc(C)cc2)C[C@H]1C ZINC000544144921 1120666873 /nfs/dbraw/zinc/66/68/73/1120666873.db2.gz ALYYPTNLAWVPGD-IEBWSBKVSA-N 2 1 288.479 3.732 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660657039 1120674125 /nfs/dbraw/zinc/67/41/25/1120674125.db2.gz ZOFJXLKSSXBVKM-PBHICJAKSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@H](c1cccc(Cl)c1)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660656446 1120674934 /nfs/dbraw/zinc/67/49/34/1120674934.db2.gz UJIAUNNJXSCGHK-RHSMWYFYSA-N 2 1 292.854 3.819 20 0 CHADMP CC[C@@]1(C)CCC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000651725174 1120727747 /nfs/dbraw/zinc/72/77/47/1120727747.db2.gz VIVJGJRHKABUHI-VEDBGLOESA-N 2 1 264.457 3.560 20 0 CHADMP CC[C@@]1(C)CCC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000651725174 1120727751 /nfs/dbraw/zinc/72/77/51/1120727751.db2.gz VIVJGJRHKABUHI-VEDBGLOESA-N 2 1 264.457 3.560 20 0 CHADMP CC[C@H](C)C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000093076735 1128936822 /nfs/dbraw/zinc/93/68/22/1128936822.db2.gz YEGPFYISRPZPOJ-LZWOXQAQSA-N 2 1 280.481 3.767 20 0 CHADMP CC[C@H](C)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000093076735 1128936824 /nfs/dbraw/zinc/93/68/24/1128936824.db2.gz YEGPFYISRPZPOJ-LZWOXQAQSA-N 2 1 280.481 3.767 20 0 CHADMP CSc1ccc(C[NH2+]CCC[N@@H+](C)CC(C)C)s1 ZINC000651865886 1120767450 /nfs/dbraw/zinc/76/74/50/1120767450.db2.gz LIEFOQKOUDTTLD-UHFFFAOYSA-N 2 1 286.510 3.538 20 0 CHADMP CSc1ccc(C[NH2+]CCC[N@H+](C)CC(C)C)s1 ZINC000651865886 1120767447 /nfs/dbraw/zinc/76/74/47/1120767447.db2.gz LIEFOQKOUDTTLD-UHFFFAOYSA-N 2 1 286.510 3.538 20 0 CHADMP Cc1ccc2[nH]c(C[NH+](C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2c1C ZINC000473133236 1120794769 /nfs/dbraw/zinc/79/47/69/1120794769.db2.gz QSTOXGIBAWVCBJ-RHSMWYFYSA-N 2 1 299.462 3.699 20 0 CHADMP Cc1ccc2[nH]c(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2c1C ZINC000473133236 1120794771 /nfs/dbraw/zinc/79/47/71/1120794771.db2.gz QSTOXGIBAWVCBJ-RHSMWYFYSA-N 2 1 299.462 3.699 20 0 CHADMP Cc1ccc2[nH]c(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)cc2c1C ZINC000473133236 1120794774 /nfs/dbraw/zinc/79/47/74/1120794774.db2.gz QSTOXGIBAWVCBJ-RHSMWYFYSA-N 2 1 299.462 3.699 20 0 CHADMP Cc1ccc2[nH]c(C[N@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)cc2c1C ZINC000473133236 1120794777 /nfs/dbraw/zinc/79/47/77/1120794777.db2.gz QSTOXGIBAWVCBJ-RHSMWYFYSA-N 2 1 299.462 3.699 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1 ZINC000164598080 1120836794 /nfs/dbraw/zinc/83/67/94/1120836794.db2.gz QVKVOYLLMRDFCX-HNNXBMFYSA-N 2 1 285.435 3.885 20 0 CHADMP CCc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C(C)C)cc1 ZINC000054240350 1120855042 /nfs/dbraw/zinc/85/50/42/1120855042.db2.gz MFMCUCWOJPXGHN-PKOBYXMFSA-N 2 1 288.479 3.878 20 0 CHADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000662238474 1120908766 /nfs/dbraw/zinc/90/87/66/1120908766.db2.gz QOGQFQLIQPZJSX-ZIFCJYIRSA-N 2 1 286.463 3.502 20 0 CHADMP CC(C)c1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000662264233 1120913369 /nfs/dbraw/zinc/91/33/69/1120913369.db2.gz GWHNNIBZXPDFDR-JWTNVVGKSA-N 2 1 272.436 3.525 20 0 CHADMP CSc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000662312813 1120924425 /nfs/dbraw/zinc/92/44/25/1120924425.db2.gz FONCBPKMLVGSIY-RHSMWYFYSA-N 2 1 292.492 3.748 20 0 CHADMP C[C@@H]1CCC[N@@H+](Cc2sccc2Cl)[C@@H]1CCC[NH3+] ZINC000662314020 1120925251 /nfs/dbraw/zinc/92/52/51/1120925251.db2.gz BHYKBOQKCSPPNV-DGCLKSJQSA-N 2 1 286.872 3.741 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cc2ccccc2s1 ZINC000121975243 1120967880 /nfs/dbraw/zinc/96/78/80/1120967880.db2.gz HOVFLIKVVNZKPQ-LBPRGKRZSA-N 2 1 274.433 3.646 20 0 CHADMP FCCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466329 1120981040 /nfs/dbraw/zinc/98/10/40/1120981040.db2.gz RAQGFPNTGVEPIY-FGTMMUONSA-N 2 1 296.474 3.616 20 0 CHADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467305 1120981458 /nfs/dbraw/zinc/98/14/58/1120981458.db2.gz DTSHZNQNHRDYSR-MDYRTPRTSA-N 2 1 298.474 3.632 20 0 CHADMP CC[C@H](C)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390812355 1120991893 /nfs/dbraw/zinc/99/18/93/1120991893.db2.gz XNYQWONUAMZBAN-JZXOWHBKSA-N 2 1 274.452 3.533 20 0 CHADMP CC[C@H](C)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390812357 1120991992 /nfs/dbraw/zinc/99/19/92/1120991992.db2.gz XNYQWONUAMZBAN-XYJFISCASA-N 2 1 274.452 3.533 20 0 CHADMP CC(C)C[C@H]([NH2+]C[C@H](C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000643528784 1121008654 /nfs/dbraw/zinc/00/86/54/1121008654.db2.gz OUAFRCGZKMZPSG-FZMZJTMJSA-N 2 1 288.357 3.729 20 0 CHADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(Cl)s2)CC1 ZINC000221808789 1121030865 /nfs/dbraw/zinc/03/08/65/1121030865.db2.gz DZVTYYOOIBBZRN-UHFFFAOYSA-N 2 1 286.872 3.612 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H]1c1cccnc1 ZINC001167838136 1121040548 /nfs/dbraw/zinc/04/05/48/1121040548.db2.gz QPFYIWIUIBCAQL-SJLPKXTDSA-N 2 1 289.467 3.729 20 0 CHADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432409938 1121056922 /nfs/dbraw/zinc/05/69/22/1121056922.db2.gz KJHCWCYJKBQALH-RCCFBDPRSA-N 2 1 298.515 3.538 20 0 CHADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432409938 1121056929 /nfs/dbraw/zinc/05/69/29/1121056929.db2.gz KJHCWCYJKBQALH-RCCFBDPRSA-N 2 1 298.515 3.538 20 0 CHADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512135352 1121114374 /nfs/dbraw/zinc/11/43/74/1121114374.db2.gz IREOGEHQAGUDCM-GJZGRUSLSA-N 2 1 295.496 3.509 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C/C=C/c2ccc(F)cc2)[C@H](C)C1 ZINC000093639323 1128966030 /nfs/dbraw/zinc/96/60/30/1128966030.db2.gz FYUFNEOZVVLAHN-IJVDXJMESA-N 2 1 290.426 3.501 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C/C=C/c2ccc(F)cc2)[C@H](C)C1 ZINC000093639323 1128966032 /nfs/dbraw/zinc/96/60/32/1128966032.db2.gz FYUFNEOZVVLAHN-IJVDXJMESA-N 2 1 290.426 3.501 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C/C=C/c2ccc(F)cc2)[C@H](C)C1 ZINC000093639323 1128966034 /nfs/dbraw/zinc/96/60/34/1128966034.db2.gz FYUFNEOZVVLAHN-IJVDXJMESA-N 2 1 290.426 3.501 20 0 CHADMP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000925825659 1121152875 /nfs/dbraw/zinc/15/28/75/1121152875.db2.gz BDCOHGBICKZFPF-UUWFMWQGSA-N 2 1 284.378 3.930 20 0 CHADMP CC1(C)C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000675751930 1121351022 /nfs/dbraw/zinc/35/10/22/1121351022.db2.gz GYNMHCHYGOIAFZ-MPGHIAIKSA-N 2 1 284.447 3.625 20 0 CHADMP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000675752503 1121351382 /nfs/dbraw/zinc/35/13/82/1121351382.db2.gz XACZZJFDWSMLLI-HAGHYFMRSA-N 2 1 298.474 3.614 20 0 CHADMP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000675751857 1121351977 /nfs/dbraw/zinc/35/19/77/1121351977.db2.gz ABZIKGOHANUTDY-QZWWFDLISA-N 2 1 264.457 3.562 20 0 CHADMP c1ccc2cc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)ccc2c1 ZINC000314701474 1121442333 /nfs/dbraw/zinc/44/23/33/1121442333.db2.gz JTHYPXPOKAWODC-PMACEKPBSA-N 2 1 294.442 3.804 20 0 CHADMP c1ccc(C2CC2)c(C[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000133626942 1121479679 /nfs/dbraw/zinc/47/96/79/1121479679.db2.gz HMNLFGULYXCPSC-UHFFFAOYSA-N 2 1 284.447 3.528 20 0 CHADMP CC[C@@H]1C[N@H+](C2c3ccccc3-c3ccccc32)CC[C@@H]1[NH3+] ZINC000316933539 1121480004 /nfs/dbraw/zinc/48/00/04/1121480004.db2.gz YQYHNHXEAHWPBL-KUHUBIRLSA-N 2 1 292.426 3.816 20 0 CHADMP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246410509 1121498674 /nfs/dbraw/zinc/49/86/74/1121498674.db2.gz RRKINSLUGLEDAX-BBRMVZONSA-N 2 1 280.843 3.675 20 0 CHADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246410509 1121498676 /nfs/dbraw/zinc/49/86/76/1121498676.db2.gz RRKINSLUGLEDAX-BBRMVZONSA-N 2 1 280.843 3.675 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512642954 1121505031 /nfs/dbraw/zinc/50/50/31/1121505031.db2.gz UNTLLEZRMNUHEZ-RACLHMPKSA-N 2 1 298.474 3.533 20 0 CHADMP c1ccc(CCCCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166472939 1121618797 /nfs/dbraw/zinc/61/87/97/1121618797.db2.gz GPIWJZKNUFTKHB-RBUKOAKNSA-N 2 1 286.463 3.616 20 0 CHADMP C[NH+]1CCC([NH2+][C@H]2CCSc3c(Cl)cccc32)CC1 ZINC000161515588 1121632776 /nfs/dbraw/zinc/63/27/76/1121632776.db2.gz NOSJMUSUTMVGFI-AWEZNQCLSA-N 2 1 296.867 3.561 20 0 CHADMP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000161605084 1121643471 /nfs/dbraw/zinc/64/34/71/1121643471.db2.gz OCRXCISDEHHVNM-CEXWTWQISA-N 2 1 286.463 3.614 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000052208613 1121694908 /nfs/dbraw/zinc/69/49/08/1121694908.db2.gz WGOJAIDQMFJXDC-UHFFFAOYSA-N 2 1 274.452 3.631 20 0 CHADMP CC(C)c1ccc(CC[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1 ZINC001206296100 1121718484 /nfs/dbraw/zinc/71/84/84/1121718484.db2.gz PMTDZDKUPFRKSC-LJQANCHMSA-N 2 1 288.479 3.803 20 0 CHADMP CC(C)[C@H](C[NH2+]CC1CCCCC1)[NH+]1CCC(C)CC1 ZINC001177256372 1121720602 /nfs/dbraw/zinc/72/06/02/1121720602.db2.gz DBWAIZZXHXDILR-SFHVURJKSA-N 2 1 280.500 3.913 20 0 CHADMP CC(C)[C@@H](C[NH2+]CC1CCCCC1)[NH+]1CCC(C)CC1 ZINC001177256371 1121721730 /nfs/dbraw/zinc/72/17/30/1121721730.db2.gz DBWAIZZXHXDILR-GOSISDBHSA-N 2 1 280.500 3.913 20 0 CHADMP CS[C@@H]1CCC[C@H]([NH2+]C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001177441846 1121732181 /nfs/dbraw/zinc/73/21/81/1121732181.db2.gz JKYNWOOWGVDWQJ-YYIAUSFCSA-N 2 1 298.540 3.761 20 0 CHADMP CCC[C@@H]([NH2+]C1CC[NH+](CCC)CC1)c1cc(C)ccn1 ZINC000631564246 1129007181 /nfs/dbraw/zinc/00/71/81/1129007181.db2.gz GHOVZSZEGIVKDJ-QGZVFWFLSA-N 2 1 289.467 3.695 20 0 CHADMP CCC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)c1cc(C)ccn1 ZINC000631566262 1129007744 /nfs/dbraw/zinc/00/77/44/1129007744.db2.gz OJUFZLSFDLKOBW-MRXNPFEDSA-N 2 1 277.456 3.551 20 0 CHADMP CCC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1cc(C)ccn1 ZINC000631566262 1129007747 /nfs/dbraw/zinc/00/77/47/1129007747.db2.gz OJUFZLSFDLKOBW-MRXNPFEDSA-N 2 1 277.456 3.551 20 0 CHADMP Cc1ccc(C[NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)cc1 ZINC001178775316 1121819775 /nfs/dbraw/zinc/81/97/75/1121819775.db2.gz SARSNOSCPZAWCU-SFHVURJKSA-N 2 1 274.452 3.595 20 0 CHADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000262066815 1129012188 /nfs/dbraw/zinc/01/21/88/1129012188.db2.gz FQEZPCOVUDVCAD-RDJZCZTQSA-N 2 1 296.414 3.648 20 0 CHADMP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2cccc3sccc32)C1 ZINC001206369771 1121851871 /nfs/dbraw/zinc/85/18/71/1121851871.db2.gz HWMGLHLGGKXSET-MRXNPFEDSA-N 2 1 292.423 3.554 20 0 CHADMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2cccc3sccc32)C1 ZINC001206369771 1121851875 /nfs/dbraw/zinc/85/18/75/1121851875.db2.gz HWMGLHLGGKXSET-MRXNPFEDSA-N 2 1 292.423 3.554 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)c2ccc(C)cc2)C1 ZINC001179855701 1121915951 /nfs/dbraw/zinc/91/59/51/1121915951.db2.gz ZXNCDWKHERAEGS-MSOLQXFVSA-N 2 1 288.479 3.762 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](C)c2ccc(C)cc2)C1 ZINC001179855701 1121915959 /nfs/dbraw/zinc/91/59/59/1121915959.db2.gz ZXNCDWKHERAEGS-MSOLQXFVSA-N 2 1 288.479 3.762 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](C)c2ccc(C)cc2)C1 ZINC001179855701 1121915969 /nfs/dbraw/zinc/91/59/69/1121915969.db2.gz ZXNCDWKHERAEGS-MSOLQXFVSA-N 2 1 288.479 3.762 20 0 CHADMP CC(C)(F)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000631660345 1129018199 /nfs/dbraw/zinc/01/81/99/1129018199.db2.gz VKWOSDIKEXTRFQ-BJWYYQGGSA-N 2 1 290.426 3.520 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C/C=C\c2cccc(F)c2)C[C@@H]1C ZINC001179898270 1121920008 /nfs/dbraw/zinc/92/00/08/1121920008.db2.gz KHVXFUGKRJRQQK-DEBUZZNISA-N 2 1 290.426 3.644 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)C/C=C\c2cccc(F)c2)C[C@@H]1C ZINC001179898270 1121919987 /nfs/dbraw/zinc/91/99/87/1121919987.db2.gz KHVXFUGKRJRQQK-DEBUZZNISA-N 2 1 290.426 3.644 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C/C=C\c2cccc(F)c2)C[C@@H]1C ZINC001179898270 1121919992 /nfs/dbraw/zinc/91/99/92/1121919992.db2.gz KHVXFUGKRJRQQK-DEBUZZNISA-N 2 1 290.426 3.644 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C/C=C\c2cccc(F)c2)C[C@@H]1C ZINC001179898270 1121920001 /nfs/dbraw/zinc/92/00/01/1121920001.db2.gz KHVXFUGKRJRQQK-DEBUZZNISA-N 2 1 290.426 3.644 20 0 CHADMP CC(C)C[N@@H+](CCCC(F)(F)F)CC1CC[NH+](C)CC1 ZINC001119961090 1121921922 /nfs/dbraw/zinc/92/19/22/1121921922.db2.gz XPIRHROAJZGAOK-UHFFFAOYSA-N 2 1 294.405 3.629 20 0 CHADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC000262552027 1129019573 /nfs/dbraw/zinc/01/95/73/1129019573.db2.gz SOXKONKWCCAMPQ-LJQANCHMSA-N 2 1 296.414 3.650 20 0 CHADMP Cc1cc(Cl)cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC001180098344 1121952513 /nfs/dbraw/zinc/95/25/13/1121952513.db2.gz LRRGDLUXSFEHTN-QGZVFWFLSA-N 2 1 294.870 3.955 20 0 CHADMP Cc1cc(Cl)cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC001180098344 1121952520 /nfs/dbraw/zinc/95/25/20/1121952520.db2.gz LRRGDLUXSFEHTN-QGZVFWFLSA-N 2 1 294.870 3.955 20 0 CHADMP Cc1cc(Cl)cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC001180098344 1121952525 /nfs/dbraw/zinc/95/25/25/1121952525.db2.gz LRRGDLUXSFEHTN-QGZVFWFLSA-N 2 1 294.870 3.955 20 0 CHADMP Cc1cc(Cl)cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC001180098344 1121952531 /nfs/dbraw/zinc/95/25/31/1121952531.db2.gz LRRGDLUXSFEHTN-QGZVFWFLSA-N 2 1 294.870 3.955 20 0 CHADMP Cc1cccc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)c1 ZINC000420295426 1121994857 /nfs/dbraw/zinc/99/48/57/1121994857.db2.gz AHPFGUKHZFGRAE-SJLPKXTDSA-N 2 1 272.436 3.522 20 0 CHADMP CC(C)c1ccc([C@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000420315643 1121999671 /nfs/dbraw/zinc/99/96/71/1121999671.db2.gz XBHDMSKGCQYNBP-INIZCTEOSA-N 2 1 286.463 3.947 20 0 CHADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc2ccccc2c1 ZINC000420318275 1122000001 /nfs/dbraw/zinc/00/00/01/1122000001.db2.gz OGXWUWQGLKNXLF-MRXNPFEDSA-N 2 1 282.431 3.661 20 0 CHADMP Cc1ccc(C[N@H+](CC[C@@H]2CCC[NH2+]C2)C(C)C)s1 ZINC000420315950 1122000440 /nfs/dbraw/zinc/00/04/40/1122000440.db2.gz MABBPEHQTKWCEC-HNNXBMFYSA-N 2 1 280.481 3.657 20 0 CHADMP C([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001181277354 1122045664 /nfs/dbraw/zinc/04/56/64/1122045664.db2.gz XNJOCHRPVWKKKX-UBDQQSCGSA-N 2 1 276.468 3.562 20 0 CHADMP CC[C@@H](CCc1ccccc1)[NH2+]C[C@@H](C)[NH+](CC)CC ZINC001181409802 1122055423 /nfs/dbraw/zinc/05/54/23/1122055423.db2.gz DVYPZVJFIQIZMH-AEFFLSMTSA-N 2 1 276.468 3.718 20 0 CHADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C1CC2(C1)CCCC2 ZINC001181932832 1122098238 /nfs/dbraw/zinc/09/82/38/1122098238.db2.gz IVEZGGRBVRCRAB-INIZCTEOSA-N 2 1 278.484 3.809 20 0 CHADMP CC(C)[NH+]1CCC([NH2+][C@@H](CC(F)F)c2ccccc2)CC1 ZINC000421369507 1122102354 /nfs/dbraw/zinc/10/23/54/1122102354.db2.gz HTXPJXURLXFYEW-INIZCTEOSA-N 2 1 296.405 3.845 20 0 CHADMP CC[C@H]1C[C@@]1([NH2+]CCCn1cc[nH+]c1C)c1cccc(C)c1 ZINC000502596065 1122117898 /nfs/dbraw/zinc/11/78/98/1122117898.db2.gz ZHICVQVPCMMHRZ-HKUYNNGSSA-N 2 1 297.446 3.805 20 0 CHADMP CC[C@@H]1C[C@@]1([NH2+]CCCn1cc[nH+]c1C)c1cccc(C)c1 ZINC000502596067 1122117942 /nfs/dbraw/zinc/11/79/42/1122117942.db2.gz ZHICVQVPCMMHRZ-MJGOQNOKSA-N 2 1 297.446 3.805 20 0 CHADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H](C)c1ccc(F)cc1 ZINC000502689736 1122133858 /nfs/dbraw/zinc/13/38/58/1122133858.db2.gz NEZRCGGUMGNPGA-RHSMWYFYSA-N 2 1 278.415 3.693 20 0 CHADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H](C)c1ccc(F)cc1 ZINC000502689736 1122133860 /nfs/dbraw/zinc/13/38/60/1122133860.db2.gz NEZRCGGUMGNPGA-RHSMWYFYSA-N 2 1 278.415 3.693 20 0 CHADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)[C@H](C)c1ccc(F)cc1 ZINC000502689736 1122133861 /nfs/dbraw/zinc/13/38/61/1122133861.db2.gz NEZRCGGUMGNPGA-RHSMWYFYSA-N 2 1 278.415 3.693 20 0 CHADMP CC[C@@H](C)[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000502685415 1122137014 /nfs/dbraw/zinc/13/70/14/1122137014.db2.gz UMPHQMHWIMZRAV-SJLPKXTDSA-N 2 1 274.452 3.771 20 0 CHADMP CC[C@@H](C)[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000502685415 1122137018 /nfs/dbraw/zinc/13/70/18/1122137018.db2.gz UMPHQMHWIMZRAV-SJLPKXTDSA-N 2 1 274.452 3.771 20 0 CHADMP CC[C@@H](C)[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000502685415 1122137020 /nfs/dbraw/zinc/13/70/20/1122137020.db2.gz UMPHQMHWIMZRAV-SJLPKXTDSA-N 2 1 274.452 3.771 20 0 CHADMP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C1CC(C)(C)C1 ZINC000414539577 1122146108 /nfs/dbraw/zinc/14/61/08/1122146108.db2.gz SSZZLUTYVAOQOS-UHFFFAOYSA-N 2 1 298.434 3.586 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)[C@H](C)C1 ZINC000503014891 1122162205 /nfs/dbraw/zinc/16/22/05/1122162205.db2.gz IFQMAVKRGIRNGF-ZBFHGGJFSA-N 2 1 266.473 3.523 20 0 CHADMP CC(C)C[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000503038405 1122163307 /nfs/dbraw/zinc/16/33/07/1122163307.db2.gz VLBLKRAORPMFLC-SJLPKXTDSA-N 2 1 274.452 3.533 20 0 CHADMP CC(C)[C@H]1CCC[NH+]1C/C=C/C[N@@H+]1CCC[C@H]1C(C)C ZINC000620140075 1129035973 /nfs/dbraw/zinc/03/59/73/1129035973.db2.gz HKBSAVAKNOZRSD-FBLDJFESSA-N 2 1 278.484 3.783 20 0 CHADMP CC(C)[C@H]1CCC[N@H+]1C/C=C/C[NH+]1CCC[C@H]1C(C)C ZINC000620140075 1129035975 /nfs/dbraw/zinc/03/59/75/1129035975.db2.gz HKBSAVAKNOZRSD-FBLDJFESSA-N 2 1 278.484 3.783 20 0 CHADMP CC(C)[C@H]1CCC[N@@H+]1C/C=C/C[NH+]1CCC[C@H]1C(C)C ZINC000620140075 1129035979 /nfs/dbraw/zinc/03/59/79/1129035979.db2.gz HKBSAVAKNOZRSD-FBLDJFESSA-N 2 1 278.484 3.783 20 0 CHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC001182714982 1122185144 /nfs/dbraw/zinc/18/51/44/1122185144.db2.gz PFPCKDYKIPDOMQ-OWCLPIDISA-N 2 1 294.508 3.808 20 0 CHADMP C[C@@]1([NH3+])CCC[N@@H+](CC2(c3ccccc3)CCCC2)CC1 ZINC001205255218 1122205956 /nfs/dbraw/zinc/20/59/56/1122205956.db2.gz HVUPXEGRXQWBRE-GOSISDBHSA-N 2 1 286.463 3.702 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2(C)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000272884545 1122215481 /nfs/dbraw/zinc/21/54/81/1122215481.db2.gz NXBZVEHCJTZURZ-WBVHZDCISA-N 2 1 272.436 3.572 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2(C)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000272884545 1122215484 /nfs/dbraw/zinc/21/54/84/1122215484.db2.gz NXBZVEHCJTZURZ-WBVHZDCISA-N 2 1 272.436 3.572 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205263865 1122217561 /nfs/dbraw/zinc/21/75/61/1122217561.db2.gz DFTWBLDLKQGKHQ-QGZVFWFLSA-N 2 1 288.460 3.913 20 0 CHADMP C[C@H](CC1CCC1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001183379256 1122222804 /nfs/dbraw/zinc/22/28/04/1122222804.db2.gz LCYYOZQAPRMEIS-QAPCUYQASA-N 2 1 278.484 3.952 20 0 CHADMP C[C@H](CC1CCC1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001183379256 1122222809 /nfs/dbraw/zinc/22/28/09/1122222809.db2.gz LCYYOZQAPRMEIS-QAPCUYQASA-N 2 1 278.484 3.952 20 0 CHADMP CCC(CC)[C@H](C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)[NH+](C)C ZINC000711120545 1122259045 /nfs/dbraw/zinc/25/90/45/1122259045.db2.gz RIABMHDDFMZQMK-ABFRBSLYSA-N 2 1 266.473 3.521 20 0 CHADMP CCC(CC)[C@@H](C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)[NH+](C)C ZINC000711120547 1122259419 /nfs/dbraw/zinc/25/94/19/1122259419.db2.gz RIABMHDDFMZQMK-YALNPMBYSA-N 2 1 266.473 3.521 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](c1ccc(F)cc1)C(C)C ZINC000434615147 1122384145 /nfs/dbraw/zinc/38/41/45/1122384145.db2.gz CHEQFUMVHUPXOT-KRWDZBQOSA-N 2 1 289.398 3.660 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H](c1ccc(F)cc1)C(C)C ZINC000434615147 1122384150 /nfs/dbraw/zinc/38/41/50/1122384150.db2.gz CHEQFUMVHUPXOT-KRWDZBQOSA-N 2 1 289.398 3.660 20 0 CHADMP CC[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1OC ZINC000775077161 1122418090 /nfs/dbraw/zinc/41/80/90/1122418090.db2.gz KIRIHQRCAJANIJ-RDJZCZTQSA-N 2 1 290.451 3.610 20 0 CHADMP CC[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccccc1OC ZINC000775077161 1122418092 /nfs/dbraw/zinc/41/80/92/1122418092.db2.gz KIRIHQRCAJANIJ-RDJZCZTQSA-N 2 1 290.451 3.610 20 0 CHADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)C(C)(C)C ZINC000505626734 1122443737 /nfs/dbraw/zinc/44/37/37/1122443737.db2.gz WLWHSNKIUWJDFR-CQSZACIVSA-N 2 1 254.462 3.665 20 0 CHADMP CC[NH+](CC)[C@H](C[NH2+]C[C@H]1CC=CCC1)CC(C)C ZINC000515083636 1122474367 /nfs/dbraw/zinc/47/43/67/1122474367.db2.gz COFCKFXEWIBEEI-IRXDYDNUSA-N 2 1 266.473 3.689 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1c1ccccc1)c1c[nH+]ccc1N ZINC000515232735 1122484443 /nfs/dbraw/zinc/48/44/43/1122484443.db2.gz KYVHXRYQASIACG-BHYGNILZSA-N 2 1 295.430 3.729 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000435743206 1122486636 /nfs/dbraw/zinc/48/66/36/1122486636.db2.gz ZOAGBGAGYZHEFN-BFYDXBDKSA-N 2 1 264.457 3.562 20 0 CHADMP CC[N@H+](CC[NH2+][C@H]1CC[C@H](c2ccccc2)C1)C(C)C ZINC000436229566 1122525063 /nfs/dbraw/zinc/52/50/63/1122525063.db2.gz FNSGWGHVHPPWOG-ROUUACIJSA-N 2 1 274.452 3.643 20 0 CHADMP CC[N@@H+](CC[NH2+][C@H]1CC[C@H](c2ccccc2)C1)C(C)C ZINC000436229566 1122525066 /nfs/dbraw/zinc/52/50/66/1122525066.db2.gz FNSGWGHVHPPWOG-ROUUACIJSA-N 2 1 274.452 3.643 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000436285496 1122530632 /nfs/dbraw/zinc/53/06/32/1122530632.db2.gz PVZDDYRWWAQGSV-BHIYHBOVSA-N 2 1 286.463 3.644 20 0 CHADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000436317690 1122537769 /nfs/dbraw/zinc/53/77/69/1122537769.db2.gz WIFKKZDEDGMRFI-ZFZWDLNGSA-N 2 1 292.854 3.516 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000436317690 1122537773 /nfs/dbraw/zinc/53/77/73/1122537773.db2.gz WIFKKZDEDGMRFI-ZFZWDLNGSA-N 2 1 292.854 3.516 20 0 CHADMP CC[C@H](C)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001190652316 1122550659 /nfs/dbraw/zinc/55/06/59/1122550659.db2.gz ZOHACQNJSADUPV-OKZBNKHCSA-N 2 1 280.500 3.865 20 0 CHADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000414179425 1129062975 /nfs/dbraw/zinc/06/29/75/1129062975.db2.gz KPJPZXPARJDJNG-NCXUSEDFSA-N 2 1 286.463 3.846 20 0 CHADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000414179425 1129062979 /nfs/dbraw/zinc/06/29/79/1129062979.db2.gz KPJPZXPARJDJNG-NCXUSEDFSA-N 2 1 286.463 3.846 20 0 CHADMP C[C@H]1C[C@H](CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C[C@@H](C)C1 ZINC001191519669 1122603366 /nfs/dbraw/zinc/60/33/66/1122603366.db2.gz ASRURUBOCBAHGK-ICBNADEASA-N 2 1 292.511 3.865 20 0 CHADMP C[C@@H]1CC[N@@H+](CCCc2cccc(Cl)c2)CC[C@@H]1C[NH3+] ZINC001205601040 1122646934 /nfs/dbraw/zinc/64/69/34/1122646934.db2.gz CWPLBECKBJTFNH-GDBMZVCRSA-N 2 1 294.870 3.579 20 0 CHADMP C[C@@H]1CC[N@@H+](CCCC2CCCCC2)CC[C@H]1C[NH3+] ZINC001205602791 1122651197 /nfs/dbraw/zinc/65/11/97/1122651197.db2.gz MKQPDGVCIRMJDS-WBVHZDCISA-N 2 1 266.473 3.654 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)CC[C@@H]1C[NH3+] ZINC001205605244 1122656777 /nfs/dbraw/zinc/65/67/77/1122656777.db2.gz ZOLOUXGYBFBPPL-NVXWUHKLSA-N 2 1 288.479 3.791 20 0 CHADMP C[C@H](C[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1)C[NH+](C)C ZINC000425935549 1122663983 /nfs/dbraw/zinc/66/39/83/1122663983.db2.gz IXTRYYHISJCDKV-CABCVRRESA-N 2 1 286.419 3.795 20 0 CHADMP CC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cccc(Cl)c1F ZINC000425931457 1122664110 /nfs/dbraw/zinc/66/41/10/1122664110.db2.gz LVYUIKDTZOMDHU-SMDDNHRTSA-N 2 1 286.822 3.718 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000438086533 1122674583 /nfs/dbraw/zinc/67/45/83/1122674583.db2.gz HVZVXTAOQFPZIN-MUGJNUQGSA-N 2 1 298.474 3.713 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000438086533 1122674589 /nfs/dbraw/zinc/67/45/89/1122674589.db2.gz HVZVXTAOQFPZIN-MUGJNUQGSA-N 2 1 298.474 3.713 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)c2ccc(F)cc2)[C@@H](C)C1 ZINC000438122727 1122680517 /nfs/dbraw/zinc/68/05/17/1122680517.db2.gz WWZZWCXSQZGSKJ-VKJFTORMSA-N 2 1 292.442 3.591 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)c2ccc(F)cc2)[C@@H](C)C1 ZINC000438122727 1122680519 /nfs/dbraw/zinc/68/05/19/1122680519.db2.gz WWZZWCXSQZGSKJ-VKJFTORMSA-N 2 1 292.442 3.591 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)c2ccc(F)cc2)[C@@H](C)C1 ZINC000438122727 1122680524 /nfs/dbraw/zinc/68/05/24/1122680524.db2.gz WWZZWCXSQZGSKJ-VKJFTORMSA-N 2 1 292.442 3.591 20 0 CHADMP C[C@H](C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccc(F)cc1 ZINC000438132667 1122681930 /nfs/dbraw/zinc/68/19/30/1122681930.db2.gz ZNWKRCFKEQRDOQ-QAPCUYQASA-N 2 1 292.442 3.735 20 0 CHADMP C[C@H](C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)c1ccc(F)cc1 ZINC000438132667 1122681933 /nfs/dbraw/zinc/68/19/33/1122681933.db2.gz ZNWKRCFKEQRDOQ-QAPCUYQASA-N 2 1 292.442 3.735 20 0 CHADMP C[C@H](C[NH+](C)CC[C@@H]1CCCC[N@H+]1C)c1ccc(F)cc1 ZINC000438132667 1122681936 /nfs/dbraw/zinc/68/19/36/1122681936.db2.gz ZNWKRCFKEQRDOQ-QAPCUYQASA-N 2 1 292.442 3.735 20 0 CHADMP CC[C@@H](C[N@@H+](CC)CC[C@@H]1CCC[NH+]1C)c1ccccc1 ZINC001193592260 1122699758 /nfs/dbraw/zinc/69/97/58/1122699758.db2.gz DBMOFCKPNZMFFU-HKUYNNGSSA-N 2 1 288.479 3.986 20 0 CHADMP CC[C@@H](C[NH+](CC)CC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001193592260 1122699762 /nfs/dbraw/zinc/69/97/62/1122699762.db2.gz DBMOFCKPNZMFFU-HKUYNNGSSA-N 2 1 288.479 3.986 20 0 CHADMP CC[C@@H](C[NH+](CC)CC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001193592260 1122699765 /nfs/dbraw/zinc/69/97/65/1122699765.db2.gz DBMOFCKPNZMFFU-HKUYNNGSSA-N 2 1 288.479 3.986 20 0 CHADMP CC(C)Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001205638935 1122707819 /nfs/dbraw/zinc/70/78/19/1122707819.db2.gz TURGWBMYIIAPPY-VQIMIIECSA-N 2 1 288.479 3.692 20 0 CHADMP Cc1ccc2cc([C@H](C)[NH2+]CC3=CC[N@@H+](C)CC3)oc2c1 ZINC000426061616 1122710554 /nfs/dbraw/zinc/71/05/54/1122710554.db2.gz KTFQWMLZSFJONH-AWEZNQCLSA-N 2 1 284.403 3.654 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205652258 1122746819 /nfs/dbraw/zinc/74/68/19/1122746819.db2.gz OTHFCDTXRYAABE-DOMZBBRYSA-N 2 1 294.870 3.764 20 0 CHADMP C=C/C=C\CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001194268361 1122763266 /nfs/dbraw/zinc/76/32/66/1122763266.db2.gz HALGMXGQFABBBD-XQQSMPNESA-N 2 1 296.458 3.717 20 0 CHADMP C=C/C=C\CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001194268361 1122763269 /nfs/dbraw/zinc/76/32/69/1122763269.db2.gz HALGMXGQFABBBD-XQQSMPNESA-N 2 1 296.458 3.717 20 0 CHADMP C=C/C=C\CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001194268361 1122763272 /nfs/dbraw/zinc/76/32/72/1122763272.db2.gz HALGMXGQFABBBD-XQQSMPNESA-N 2 1 296.458 3.717 20 0 CHADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc3ccccc31)C2 ZINC001194504857 1122780863 /nfs/dbraw/zinc/78/08/63/1122780863.db2.gz GGSSMZGIGDUJGN-FQEVSTJZSA-N 2 1 294.442 3.758 20 0 CHADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cccc3ccccc31)C2 ZINC001194504857 1122780870 /nfs/dbraw/zinc/78/08/70/1122780870.db2.gz GGSSMZGIGDUJGN-FQEVSTJZSA-N 2 1 294.442 3.758 20 0 CHADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cccc3ccccc31)C2 ZINC001194504857 1122780874 /nfs/dbraw/zinc/78/08/74/1122780874.db2.gz GGSSMZGIGDUJGN-FQEVSTJZSA-N 2 1 294.442 3.758 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC000467384983 1122782055 /nfs/dbraw/zinc/78/20/55/1122782055.db2.gz LGIQEHCBGIFSFW-WBVHZDCISA-N 2 1 278.484 3.809 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC000467384983 1122782058 /nfs/dbraw/zinc/78/20/58/1122782058.db2.gz LGIQEHCBGIFSFW-WBVHZDCISA-N 2 1 278.484 3.809 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2ccccc2C)[C@H](C)C1 ZINC000440355868 1122839326 /nfs/dbraw/zinc/83/93/26/1122839326.db2.gz NSCZQIQDUZSDMI-MJGOQNOKSA-N 2 1 288.479 3.590 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CCCC1 ZINC001167967083 1122845109 /nfs/dbraw/zinc/84/51/09/1122845109.db2.gz AVKAIDZKWONDKI-TZUVLKIQSA-N 2 1 276.468 3.560 20 0 CHADMP C[NH+]1CCC(C[N@H+]2CC3(CCC3)[C@@H]2c2ccccc2)CC1 ZINC000894610616 1122881470 /nfs/dbraw/zinc/88/14/70/1122881470.db2.gz LPISBSZLIFMRIY-SFHVURJKSA-N 2 1 284.447 3.555 20 0 CHADMP CC(C)[NH+](C(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981876 1122897391 /nfs/dbraw/zinc/89/73/91/1122897391.db2.gz NSUBHRKMSVALKL-SJPCQFCGSA-N 2 1 264.457 3.511 20 0 CHADMP Cc1cc(Cl)cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000507097823 1122924350 /nfs/dbraw/zinc/92/43/50/1122924350.db2.gz KCBDXJCLZJJYTJ-UHFFFAOYSA-N 2 1 294.870 3.953 20 0 CHADMP Cc1cc(Cl)cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000507097823 1122924353 /nfs/dbraw/zinc/92/43/53/1122924353.db2.gz KCBDXJCLZJJYTJ-UHFFFAOYSA-N 2 1 294.870 3.953 20 0 CHADMP CCC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167985079 1122945432 /nfs/dbraw/zinc/94/54/32/1122945432.db2.gz VAQDFJCMYYQURB-JWTNVVGKSA-N 2 1 276.468 3.514 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000507521750 1122963125 /nfs/dbraw/zinc/96/31/25/1122963125.db2.gz AKYFLHHPMCHXFE-QAETUUGQSA-N 2 1 266.473 3.664 20 0 CHADMP CCc1ccccc1C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC001197844819 1122970572 /nfs/dbraw/zinc/97/05/72/1122970572.db2.gz NOWJVIVROOAHAI-UHFFFAOYSA-N 2 1 297.446 3.969 20 0 CHADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CC[C@@H]3CCC[C@@H]3C1)C2 ZINC001167986544 1122978846 /nfs/dbraw/zinc/97/88/46/1122978846.db2.gz GRCIOTUOUIPBDM-QWJAOUKZSA-N 2 1 288.479 3.514 20 0 CHADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@@H+]1CC[C@@H]3CCC[C@@H]3C1)C2 ZINC001167986544 1122978853 /nfs/dbraw/zinc/97/88/53/1122978853.db2.gz GRCIOTUOUIPBDM-QWJAOUKZSA-N 2 1 288.479 3.514 20 0 CHADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@H+]1CC[C@@H]3CCC[C@@H]3C1)C2 ZINC001167986544 1122978857 /nfs/dbraw/zinc/97/88/57/1122978857.db2.gz GRCIOTUOUIPBDM-QWJAOUKZSA-N 2 1 288.479 3.514 20 0 CHADMP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC[NH+](C(C)C)C(C)C ZINC001198908298 1123016618 /nfs/dbraw/zinc/01/66/18/1123016618.db2.gz OWZZIFJRYCWEMH-IAGOWNOFSA-N 2 1 266.473 3.687 20 0 CHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc4ccccc4o3)C2)CC1 ZINC000519726143 1123018828 /nfs/dbraw/zinc/01/88/28/1123018828.db2.gz RMQNPFDNZSAWDM-QGZVFWFLSA-N 2 1 298.430 3.597 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000164592640 1123021851 /nfs/dbraw/zinc/02/18/51/1123021851.db2.gz LNNKYYXOGDASCP-IBGZPJMESA-N 2 1 297.446 3.583 20 0 CHADMP c1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc(C2CCCC2)c1 ZINC001199198803 1123023347 /nfs/dbraw/zinc/02/33/47/1123023347.db2.gz TWKKOROFPBIWEF-QGZVFWFLSA-N 2 1 298.474 3.918 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](CCC(C)C)C2)C1 ZINC001199383680 1123029104 /nfs/dbraw/zinc/02/91/04/1123029104.db2.gz FAWCINZJABSKFA-GVDBMIGSSA-N 2 1 266.473 3.523 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCCC2CCCC2)[C@@H](C)C1 ZINC000440696466 1123030626 /nfs/dbraw/zinc/03/06/26/1123030626.db2.gz UAWRMTXHSNGDOH-RDJZCZTQSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccoc1 ZINC000309915811 1129094918 /nfs/dbraw/zinc/09/49/18/1129094918.db2.gz OCBDZMTUQPHYNQ-BQFCYCMXSA-N 2 1 298.430 3.841 20 0 CHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccoc1 ZINC000309915811 1129094922 /nfs/dbraw/zinc/09/49/22/1129094922.db2.gz OCBDZMTUQPHYNQ-BQFCYCMXSA-N 2 1 298.430 3.841 20 0 CHADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001205912781 1123075552 /nfs/dbraw/zinc/07/55/52/1123075552.db2.gz CFTJHIMOPZXRKY-HOCLYGCPSA-N 2 1 274.452 3.543 20 0 CHADMP C[C@@H](CCc1ccccc1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441345209 1123080875 /nfs/dbraw/zinc/08/08/75/1123080875.db2.gz FPUIMIAWDFPZJL-HKUYNNGSSA-N 2 1 288.479 3.814 20 0 CHADMP C[C@@H](CCc1ccccc1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441345209 1123080878 /nfs/dbraw/zinc/08/08/78/1123080878.db2.gz FPUIMIAWDFPZJL-HKUYNNGSSA-N 2 1 288.479 3.814 20 0 CHADMP C[C@@H](CCc1ccccc1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441345209 1123080884 /nfs/dbraw/zinc/08/08/84/1123080884.db2.gz FPUIMIAWDFPZJL-HKUYNNGSSA-N 2 1 288.479 3.814 20 0 CHADMP Cc1cccc(C)c1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441371333 1123082747 /nfs/dbraw/zinc/08/27/47/1123082747.db2.gz TVLZOJRLJIDNKJ-KRWDZBQOSA-N 2 1 274.452 3.610 20 0 CHADMP Cc1cccc(C)c1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441371333 1123082750 /nfs/dbraw/zinc/08/27/50/1123082750.db2.gz TVLZOJRLJIDNKJ-KRWDZBQOSA-N 2 1 274.452 3.610 20 0 CHADMP Cc1cccc(C)c1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441371333 1123082752 /nfs/dbraw/zinc/08/27/52/1123082752.db2.gz TVLZOJRLJIDNKJ-KRWDZBQOSA-N 2 1 274.452 3.610 20 0 CHADMP CCC[C@@H](C)C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001201543259 1123117137 /nfs/dbraw/zinc/11/71/37/1123117137.db2.gz OKMFQJQLDSTWIH-OAGGEKHMSA-N 2 1 292.492 3.548 20 0 CHADMP CCC[C@@H](C)C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001201543259 1123117139 /nfs/dbraw/zinc/11/71/39/1123117139.db2.gz OKMFQJQLDSTWIH-OAGGEKHMSA-N 2 1 292.492 3.548 20 0 CHADMP CCC[C@@H](C)C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001201543259 1123117142 /nfs/dbraw/zinc/11/71/42/1123117142.db2.gz OKMFQJQLDSTWIH-OAGGEKHMSA-N 2 1 292.492 3.548 20 0 CHADMP CCC[C@@H](C)C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001201543259 1123117143 /nfs/dbraw/zinc/11/71/43/1123117143.db2.gz OKMFQJQLDSTWIH-OAGGEKHMSA-N 2 1 292.492 3.548 20 0 CHADMP CCC[C@H](C)C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001201552089 1123119035 /nfs/dbraw/zinc/11/90/35/1123119035.db2.gz JHHGDKFQBZZRMM-YESZJQIVSA-N 2 1 266.473 3.761 20 0 CHADMP CCC[C@H](C)C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001201552089 1123119037 /nfs/dbraw/zinc/11/90/37/1123119037.db2.gz JHHGDKFQBZZRMM-YESZJQIVSA-N 2 1 266.473 3.761 20 0 CHADMP CCC[C@H](C)C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001201552089 1123119039 /nfs/dbraw/zinc/11/90/39/1123119039.db2.gz JHHGDKFQBZZRMM-YESZJQIVSA-N 2 1 266.473 3.761 20 0 CHADMP CC[C@H](C)C[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001201516906 1123120906 /nfs/dbraw/zinc/12/09/06/1123120906.db2.gz GFKOJNFVPYGFLU-HNNXBMFYSA-N 2 1 292.442 3.768 20 0 CHADMP CC[C@H](C)C[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001201516906 1123120908 /nfs/dbraw/zinc/12/09/08/1123120908.db2.gz GFKOJNFVPYGFLU-HNNXBMFYSA-N 2 1 292.442 3.768 20 0 CHADMP CC(C)CC[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001201626922 1123132798 /nfs/dbraw/zinc/13/27/98/1123132798.db2.gz OVFVGUQQZSTTGW-UHFFFAOYSA-N 2 1 292.442 3.768 20 0 CHADMP CC(C)CC[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001201626922 1123132801 /nfs/dbraw/zinc/13/28/01/1123132801.db2.gz OVFVGUQQZSTTGW-UHFFFAOYSA-N 2 1 292.442 3.768 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C[C@H]1c1ccccc1 ZINC000414344036 1129101490 /nfs/dbraw/zinc/10/14/90/1129101490.db2.gz KCOKMQGGRLQBSS-TVFCKZIOSA-N 2 1 296.414 3.561 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C[C@H]1c1ccccc1 ZINC000414344036 1129101492 /nfs/dbraw/zinc/10/14/92/1129101492.db2.gz KCOKMQGGRLQBSS-TVFCKZIOSA-N 2 1 296.414 3.561 20 0 CHADMP CCCCCC[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001201746135 1123145059 /nfs/dbraw/zinc/14/50/59/1123145059.db2.gz ACOJGSVUKMLAGW-UHFFFAOYSA-N 2 1 278.484 3.907 20 0 CHADMP CC(C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168005173 1123195136 /nfs/dbraw/zinc/19/51/36/1123195136.db2.gz HJOSIAJOIYPPPH-ALXJQNPVSA-N 2 1 274.452 3.674 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2(C)CCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168007971 1123213846 /nfs/dbraw/zinc/21/38/46/1123213846.db2.gz BWXDMIJYNCJGCL-ALXJQNPVSA-N 2 1 286.463 3.960 20 0 CHADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(C(F)F)CC1 ZINC000442775884 1123213869 /nfs/dbraw/zinc/21/38/69/1123213869.db2.gz CKYZPKKNDZWQTN-LMRVLLHPSA-N 2 1 288.426 3.520 20 0 CHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(C(F)F)CC1 ZINC000442775884 1123213873 /nfs/dbraw/zinc/21/38/73/1123213873.db2.gz CKYZPKKNDZWQTN-LMRVLLHPSA-N 2 1 288.426 3.520 20 0 CHADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)c(C)c2)CC1 ZINC000507813506 1123220478 /nfs/dbraw/zinc/22/04/78/1123220478.db2.gz PBTGJHMGWHLAOI-UHFFFAOYSA-N 2 1 294.870 3.955 20 0 CHADMP CC[C@@H](C)C[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000520778887 1123232548 /nfs/dbraw/zinc/23/25/48/1123232548.db2.gz YIMDFYIOFRSNCT-OAHLLOKOSA-N 2 1 262.441 3.616 20 0 CHADMP CCSc1ccccc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000163250429 1129109615 /nfs/dbraw/zinc/10/96/15/1129109615.db2.gz AWYOBQLHXUPCPR-LSDHHAIUSA-N 2 1 292.492 3.791 20 0 CHADMP C(C[N@H+]1CCC[C@@H]1C1CCCCC1)C[NH+]1CCCCC1 ZINC000508195816 1123270024 /nfs/dbraw/zinc/27/00/24/1123270024.db2.gz PFFWUUUBJITFEO-GOSISDBHSA-N 2 1 278.484 3.907 20 0 CHADMP Cc1cccc2c1CCC[C@H]2[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000665283514 1123317237 /nfs/dbraw/zinc/31/72/37/1123317237.db2.gz PFERDPUKQLQAMI-FZKQIMNGSA-N 2 1 281.403 3.531 20 0 CHADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000474034891 1123318199 /nfs/dbraw/zinc/31/81/99/1123318199.db2.gz NAXSXNZRJGGJIE-CHWSQXEVSA-N 2 1 276.415 3.520 20 0 CHADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000474034891 1123318205 /nfs/dbraw/zinc/31/82/05/1123318205.db2.gz NAXSXNZRJGGJIE-CHWSQXEVSA-N 2 1 276.415 3.520 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442782333 1123338139 /nfs/dbraw/zinc/33/81/39/1123338139.db2.gz PSQCGLONXGKBCW-WLYUNCDWSA-N 2 1 288.426 3.520 20 0 CHADMP CC[N@H+](CCCn1cc[nH+]c1C)Cc1c[nH]c2ccccc12 ZINC000442894607 1123348180 /nfs/dbraw/zinc/34/81/80/1123348180.db2.gz ZSWNETRKMQNLLR-UHFFFAOYSA-N 2 1 296.418 3.585 20 0 CHADMP CC[N@@H+](CCCn1cc[nH+]c1C)Cc1c[nH]c2ccccc12 ZINC000442894607 1123348182 /nfs/dbraw/zinc/34/81/82/1123348182.db2.gz ZSWNETRKMQNLLR-UHFFFAOYSA-N 2 1 296.418 3.585 20 0 CHADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271874095 1129115785 /nfs/dbraw/zinc/11/57/85/1129115785.db2.gz NLLXGLDYGQOCGY-MRXNPFEDSA-N 2 1 286.463 3.594 20 0 CHADMP c1cc2c(s1)CCC[C@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000335427961 1123369054 /nfs/dbraw/zinc/36/90/54/1123369054.db2.gz IITZKRICHUYIOO-ZBCRRDGASA-N 2 1 290.476 3.732 20 0 CHADMP C[C@H]([NH2+]CC=C(Cl)Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000851925838 1123389692 /nfs/dbraw/zinc/38/96/92/1123389692.db2.gz CFSWURVUSWJIDF-NWDGAFQWSA-N 2 1 291.266 3.548 20 0 CHADMP C[C@H]([NH2+]CC=C(Cl)Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000851925838 1123389694 /nfs/dbraw/zinc/38/96/94/1123389694.db2.gz CFSWURVUSWJIDF-NWDGAFQWSA-N 2 1 291.266 3.548 20 0 CHADMP C[N@@H+]1CCCC12CC[NH+](Cc1ccc(C(F)F)cc1)CC2 ZINC000335678287 1123392594 /nfs/dbraw/zinc/39/25/94/1123392594.db2.gz PVCVKGCUWFSKPB-UHFFFAOYSA-N 2 1 294.389 3.684 20 0 CHADMP C[N@H+]1CCCC12CC[NH+](Cc1ccc(C(F)F)cc1)CC2 ZINC000335678287 1123392595 /nfs/dbraw/zinc/39/25/95/1123392595.db2.gz PVCVKGCUWFSKPB-UHFFFAOYSA-N 2 1 294.389 3.684 20 0 CHADMP C(C1CCCC1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000474064341 1123407687 /nfs/dbraw/zinc/40/76/87/1123407687.db2.gz CNVXFEYILPVUDI-IRXDYDNUSA-N 2 1 276.468 3.563 20 0 CHADMP C(C1CCCC1)[N@H+]1CC[C@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000474064341 1123407689 /nfs/dbraw/zinc/40/76/89/1123407689.db2.gz CNVXFEYILPVUDI-IRXDYDNUSA-N 2 1 276.468 3.563 20 0 CHADMP Cc1[nH+]ccn1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000428283293 1123429971 /nfs/dbraw/zinc/42/99/71/1123429971.db2.gz SWLBEBPBFAGHCY-UHFFFAOYSA-N 2 1 297.446 3.536 20 0 CHADMP CC(C)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157019376 1129121178 /nfs/dbraw/zinc/12/11/78/1129121178.db2.gz RTAIHRXBOCGAQV-AEFFLSMTSA-N 2 1 274.452 3.627 20 0 CHADMP CC(C)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157019376 1129121181 /nfs/dbraw/zinc/12/11/81/1129121181.db2.gz RTAIHRXBOCGAQV-AEFFLSMTSA-N 2 1 274.452 3.627 20 0 CHADMP CC(C)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157019376 1129121184 /nfs/dbraw/zinc/12/11/84/1129121184.db2.gz RTAIHRXBOCGAQV-AEFFLSMTSA-N 2 1 274.452 3.627 20 0 CHADMP CC(C)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157019376 1129121186 /nfs/dbraw/zinc/12/11/86/1129121186.db2.gz RTAIHRXBOCGAQV-AEFFLSMTSA-N 2 1 274.452 3.627 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000157307686 1129126751 /nfs/dbraw/zinc/12/67/51/1129126751.db2.gz DDKLNRFRMRWSHR-SPYBWZPUSA-N 2 1 282.431 3.658 20 0 CHADMP CC[NH+]1CCC([N@H+](C)C[C@H](c2ccccc2)C(C)C)CC1 ZINC000474122529 1123455534 /nfs/dbraw/zinc/45/55/34/1123455534.db2.gz ZITXOPQNNFVQLX-IBGZPJMESA-N 2 1 288.479 3.842 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)C[C@H](c2ccccc2)C(C)C)CC1 ZINC000474122529 1123455536 /nfs/dbraw/zinc/45/55/36/1123455536.db2.gz ZITXOPQNNFVQLX-IBGZPJMESA-N 2 1 288.479 3.842 20 0 CHADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000776694876 1123456525 /nfs/dbraw/zinc/45/65/25/1123456525.db2.gz SAIOWEJMBSDCQC-MNZLEMJZSA-N 2 1 286.463 3.675 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2C(C)=CCC[C@@H]2C)[C@H](C)C1 ZINC000443663187 1123466789 /nfs/dbraw/zinc/46/67/89/1123466789.db2.gz WYBKMYDFKGRWBX-MLHJIOFPSA-N 2 1 278.484 3.641 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2C(C)=CCC[C@@H]2C)[C@H](C)C1 ZINC000443663187 1123466791 /nfs/dbraw/zinc/46/67/91/1123466791.db2.gz WYBKMYDFKGRWBX-MLHJIOFPSA-N 2 1 278.484 3.641 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2C(C)=CCC[C@@H]2C)[C@H](C)C1 ZINC000443663187 1123466793 /nfs/dbraw/zinc/46/67/93/1123466793.db2.gz WYBKMYDFKGRWBX-MLHJIOFPSA-N 2 1 278.484 3.641 20 0 CHADMP CC[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1cccs1 ZINC000052206039 1123478390 /nfs/dbraw/zinc/47/83/90/1123478390.db2.gz OVDMHWBQDAUBCG-ZIAGYGMSSA-N 2 1 266.454 3.663 20 0 CHADMP CC/C=C/[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168030256 1123485680 /nfs/dbraw/zinc/48/56/80/1123485680.db2.gz VFFMCRPMCOOAJC-KYAPFHOZSA-N 2 1 272.436 3.941 20 0 CHADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC[C@H](C)CCC=C(C)C)C1 ZINC001205002057 1123491531 /nfs/dbraw/zinc/49/15/31/1123491531.db2.gz YKNBJASSALYUBI-SJORKVTESA-N 2 1 266.473 3.690 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H](C)C2CCCCC2)C1 ZINC000474465689 1123534693 /nfs/dbraw/zinc/53/46/93/1123534693.db2.gz DXJXHZOLOBLTSZ-ARFHVFGLSA-N 2 1 266.473 3.523 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H](C)C2CCCCC2)C1 ZINC000474465693 1123535048 /nfs/dbraw/zinc/53/50/48/1123535048.db2.gz DXJXHZOLOBLTSZ-OWCLPIDISA-N 2 1 266.473 3.523 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1CCCC1 ZINC000474470099 1123535820 /nfs/dbraw/zinc/53/58/20/1123535820.db2.gz DPISJLAODJAHQC-HOTGVXAUSA-N 2 1 266.473 3.809 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000474472823 1123536757 /nfs/dbraw/zinc/53/67/57/1123536757.db2.gz OTYKJPDKSJJBKO-PVAVHDDUSA-N 2 1 277.456 3.632 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000474472811 1123536849 /nfs/dbraw/zinc/53/68/49/1123536849.db2.gz OTYKJPDKSJJBKO-DJIMGWMZSA-N 2 1 277.456 3.632 20 0 CHADMP CCCC[C@@H](CC)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429524782 1123537988 /nfs/dbraw/zinc/53/79/88/1123537988.db2.gz AYNAHWMKXDBQGS-CVEARBPZSA-N 2 1 254.462 3.619 20 0 CHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CCC3CCCCC3)C2)CC1 ZINC000519565742 1123554594 /nfs/dbraw/zinc/55/45/94/1123554594.db2.gz GWGVJQYQSXXYTA-GOSISDBHSA-N 2 1 278.484 3.621 20 0 CHADMP C[C@H]1CC[N@H+]1[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168038975 1123559519 /nfs/dbraw/zinc/55/95/19/1123559519.db2.gz AQGNHSLKJBKQKB-CUSZFKRNSA-N 2 1 272.436 3.522 20 0 CHADMP C[C@H]1CC[NH+]1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168038975 1123559521 /nfs/dbraw/zinc/55/95/21/1123559521.db2.gz AQGNHSLKJBKQKB-CUSZFKRNSA-N 2 1 272.436 3.522 20 0 CHADMP C[C@H]1CC[NH+]1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168038975 1123559525 /nfs/dbraw/zinc/55/95/25/1123559525.db2.gz AQGNHSLKJBKQKB-CUSZFKRNSA-N 2 1 272.436 3.522 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C1CCCC1 ZINC000453350917 1123575188 /nfs/dbraw/zinc/57/51/88/1123575188.db2.gz JZTUBBJEGBENMV-AYOQOUSVSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C1CCCC1 ZINC000453350917 1123575191 /nfs/dbraw/zinc/57/51/91/1123575191.db2.gz JZTUBBJEGBENMV-AYOQOUSVSA-N 2 1 286.463 3.990 20 0 CHADMP c1ccc(C[C@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)cc1 ZINC000124820021 1123595806 /nfs/dbraw/zinc/59/58/06/1123595806.db2.gz RIXZXMLNPMKVQB-LJQANCHMSA-N 2 1 286.463 3.570 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C1CCCC1 ZINC000157949711 1129135453 /nfs/dbraw/zinc/13/54/53/1129135453.db2.gz YYKUVBWUDRGPQG-HOTGVXAUSA-N 2 1 266.473 3.667 20 0 CHADMP CC(C)[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000157894614 1129135461 /nfs/dbraw/zinc/13/54/61/1129135461.db2.gz SAJYGGXFZUWCNN-NVXWUHKLSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccccc2)s1 ZINC000469850690 1123657728 /nfs/dbraw/zinc/65/77/28/1123657728.db2.gz WNONLEOTHLBTMS-ZIAGYGMSSA-N 2 1 286.444 3.584 20 0 CHADMP C[N@@H+](Cc1cc(-n2ccnc2)cs1)C(C1CC1)C1CC1 ZINC000346158459 1123667979 /nfs/dbraw/zinc/66/79/79/1123667979.db2.gz BXZDPVYOJGHJRK-UHFFFAOYSA-N 2 1 287.432 3.554 20 0 CHADMP Cc1nccn1CC[N@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000346270283 1123676925 /nfs/dbraw/zinc/67/69/25/1123676925.db2.gz CUZIKJMYYGZPJR-LJQANCHMSA-N 2 1 297.446 3.679 20 0 CHADMP Cc1nccn1CC[N@@H+](Cc1cccc(C)c1)CC(C)C ZINC000346283987 1123677361 /nfs/dbraw/zinc/67/73/61/1123677361.db2.gz XYOGXQYONMHQBZ-UHFFFAOYSA-N 2 1 285.435 3.658 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](Cc1cccc(C)c1)CC(C)C ZINC000346283987 1123677363 /nfs/dbraw/zinc/67/73/63/1123677363.db2.gz XYOGXQYONMHQBZ-UHFFFAOYSA-N 2 1 285.435 3.658 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](Cc1cccc(C)c1)CC(C)C ZINC000346283987 1123677364 /nfs/dbraw/zinc/67/73/64/1123677364.db2.gz XYOGXQYONMHQBZ-UHFFFAOYSA-N 2 1 285.435 3.658 20 0 CHADMP CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1C ZINC000346305445 1123679737 /nfs/dbraw/zinc/67/97/37/1123679737.db2.gz IGQYGGBMECVLQL-OALUTQOASA-N 2 1 297.446 3.850 20 0 CHADMP CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1C ZINC000346305445 1123679740 /nfs/dbraw/zinc/67/97/40/1123679740.db2.gz IGQYGGBMECVLQL-OALUTQOASA-N 2 1 297.446 3.850 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC(C)(C)C2)c1 ZINC000346617139 1123698726 /nfs/dbraw/zinc/69/87/26/1123698726.db2.gz XMLWLWGDMRRHHL-KRWDZBQOSA-N 2 1 274.452 3.807 20 0 CHADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000346693799 1123706889 /nfs/dbraw/zinc/70/68/89/1123706889.db2.gz PSWJWPMRSZPLPD-YOEHRIQHSA-N 2 1 298.405 3.662 20 0 CHADMP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000158226225 1129141704 /nfs/dbraw/zinc/14/17/04/1129141704.db2.gz HQIQIMJLEZFMLA-RBUKOAKNSA-N 2 1 288.479 3.575 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)s2)CC[C@H]1[NH3+] ZINC000347008748 1123741440 /nfs/dbraw/zinc/74/14/40/1123741440.db2.gz SDUFJWBBAFBPTN-XJKSGUPXSA-N 2 1 286.444 3.584 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000173441877 1123789123 /nfs/dbraw/zinc/78/91/23/1123789123.db2.gz SLBHUCMHXMHGCH-LBPRGKRZSA-N 2 1 293.361 3.601 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](C)C1CCCCC1 ZINC000339044878 1123830757 /nfs/dbraw/zinc/83/07/57/1123830757.db2.gz PLQOZCLYTZVCEC-HNNXBMFYSA-N 2 1 277.456 3.730 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](C)C1CCCCC1 ZINC000339044878 1123830754 /nfs/dbraw/zinc/83/07/54/1123830754.db2.gz PLQOZCLYTZVCEC-HNNXBMFYSA-N 2 1 277.456 3.730 20 0 CHADMP C[NH+](C)[C@H](CNc1cc[nH+]c2ccsc21)c1ccco1 ZINC000301338156 1123892545 /nfs/dbraw/zinc/89/25/45/1123892545.db2.gz DXJBDOKNNCLRTN-CYBMUJFWSA-N 2 1 287.388 3.604 20 0 CHADMP CC(C)(C)[NH+]1CCC(Nc2cc[nH+]c3ccsc32)CC1 ZINC000301378592 1123896168 /nfs/dbraw/zinc/89/61/68/1123896168.db2.gz SPBLWKDUJHUANJ-UHFFFAOYSA-N 2 1 289.448 3.971 20 0 CHADMP CCC1(C)CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339066216 1123918994 /nfs/dbraw/zinc/91/89/94/1123918994.db2.gz FVYDQQQNKMLTCV-GMRIPVOYSA-N 2 1 264.457 3.562 20 0 CHADMP Clc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339067113 1123923308 /nfs/dbraw/zinc/92/33/08/1123923308.db2.gz JAUZFFQKXCTQSP-XNJGSVPQSA-N 2 1 290.838 3.544 20 0 CHADMP CCc1cc(N(C)C[C@H]2CCC[N@@H+](C)C2)c2ccccc2[nH+]1 ZINC000301790578 1123933138 /nfs/dbraw/zinc/93/31/38/1123933138.db2.gz NGYRXMQNGUCCBV-HNNXBMFYSA-N 2 1 297.446 3.575 20 0 CHADMP CC(C)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159023292 1129157158 /nfs/dbraw/zinc/15/71/58/1129157158.db2.gz NHDJADDNZQZQPT-BQFCYCMXSA-N 2 1 274.452 3.531 20 0 CHADMP CC(C)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000159023292 1129157160 /nfs/dbraw/zinc/15/71/60/1129157160.db2.gz NHDJADDNZQZQPT-BQFCYCMXSA-N 2 1 274.452 3.531 20 0 CHADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc(C(F)F)c3)C2)CC1 ZINC000639754549 1124005029 /nfs/dbraw/zinc/00/50/29/1124005029.db2.gz CBPNMWCEGBGIQO-UHFFFAOYSA-N 2 1 294.389 3.542 20 0 CHADMP CCC(CC)(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C(F)(F)F ZINC000865756297 1124011037 /nfs/dbraw/zinc/01/10/37/1124011037.db2.gz IYDDWGMDCFWNHQ-STQMWFEESA-N 2 1 292.389 3.572 20 0 CHADMP Clc1ccc(C2([NH2+]CCC[NH+]3CCCCC3)CC2)cc1 ZINC000444613124 1124044805 /nfs/dbraw/zinc/04/48/05/1124044805.db2.gz UZIBTGUSVIXWSJ-UHFFFAOYSA-N 2 1 292.854 3.795 20 0 CHADMP CCCc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)s1 ZINC000621338799 1129165183 /nfs/dbraw/zinc/16/51/83/1129165183.db2.gz MJPJTOUMARMGPC-GOOCMWNKSA-N 2 1 292.492 3.806 20 0 CHADMP CCc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000445817110 1124102734 /nfs/dbraw/zinc/10/27/34/1124102734.db2.gz BRHFZWRPULQDQK-CRAIPNDOSA-N 2 1 274.452 3.554 20 0 CHADMP CCc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000445817110 1124102736 /nfs/dbraw/zinc/10/27/36/1124102736.db2.gz BRHFZWRPULQDQK-CRAIPNDOSA-N 2 1 274.452 3.554 20 0 CHADMP CCc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000445817110 1124102738 /nfs/dbraw/zinc/10/27/38/1124102738.db2.gz BRHFZWRPULQDQK-CRAIPNDOSA-N 2 1 274.452 3.554 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000445904087 1124106322 /nfs/dbraw/zinc/10/63/22/1124106322.db2.gz NVBRINWJBCKYGV-ZDUSSCGKSA-N 2 1 291.361 3.538 20 0 CHADMP CCc1ccc(CN(C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000525271862 1124119406 /nfs/dbraw/zinc/11/94/06/1124119406.db2.gz HLMCGBYVPXHXAP-SFHVURJKSA-N 2 1 274.452 3.555 20 0 CHADMP CCc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000525271862 1124119408 /nfs/dbraw/zinc/11/94/08/1124119408.db2.gz HLMCGBYVPXHXAP-SFHVURJKSA-N 2 1 274.452 3.555 20 0 CHADMP CCc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000525271862 1124119412 /nfs/dbraw/zinc/11/94/12/1124119412.db2.gz HLMCGBYVPXHXAP-SFHVURJKSA-N 2 1 274.452 3.555 20 0 CHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](CC1CCC1)C(C)C ZINC000446910958 1124128214 /nfs/dbraw/zinc/12/82/14/1124128214.db2.gz ONUGSXBEMDOWKG-UHFFFAOYSA-N 2 1 298.434 3.586 20 0 CHADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCCc1ccccc1 ZINC001278280273 1131246128 /nfs/dbraw/zinc/24/61/28/1131246128.db2.gz GIMLZSGGUPXHJB-YQQQUEKLSA-N 2 1 286.463 3.614 20 0 CHADMP Cc1cc(F)cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1Cl ZINC001238780167 1131246247 /nfs/dbraw/zinc/24/62/47/1131246247.db2.gz ALTPLYPWLBEAGQ-UHFFFAOYSA-N 2 1 298.833 3.561 20 0 CHADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(-c3ccc(C4CC4)cc3)cn12 ZINC001238833305 1131252333 /nfs/dbraw/zinc/25/23/33/1131252333.db2.gz FRRVKFNWVNYOGU-UHFFFAOYSA-N 2 1 289.382 3.566 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCC(C(C)(C)C)CC2)C1 ZINC000525703534 1124458041 /nfs/dbraw/zinc/45/80/41/1124458041.db2.gz VSVIPIYWWXLIND-GTPINHCMSA-N 2 1 280.500 3.913 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000525985802 1124489983 /nfs/dbraw/zinc/48/99/83/1124489983.db2.gz SWIXZFMRKYYOMI-ILXRZTDVSA-N 2 1 294.870 3.763 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000447600442 1124499391 /nfs/dbraw/zinc/49/93/91/1124499391.db2.gz LZQGZPQKEJLDQS-RACLHMPKSA-N 2 1 298.474 3.960 20 0 CHADMP C[C@@H](C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000447821844 1124529395 /nfs/dbraw/zinc/52/93/95/1124529395.db2.gz NPYZTXNKKLHDKE-MSOLQXFVSA-N 2 1 288.479 3.892 20 0 CHADMP CCCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCC1 ZINC001119969862 1131268753 /nfs/dbraw/zinc/26/87/53/1131268753.db2.gz KOTWLJQPRYAOMX-NPYXIHBLSA-N 2 1 264.457 3.560 20 0 CHADMP CC(C)CCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000527354875 1124571004 /nfs/dbraw/zinc/57/10/04/1124571004.db2.gz BXCVHYBFSCWJIB-HZPDHXFCSA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)CC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000449068572 1124643734 /nfs/dbraw/zinc/64/37/34/1124643734.db2.gz BWDTZVJYUOBSQO-DOTOQJQBSA-N 2 1 278.484 3.808 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449078780 1124646691 /nfs/dbraw/zinc/64/66/91/1124646691.db2.gz YNPOMLMYGNZGOV-KLHKWILBSA-N 2 1 296.499 3.577 20 0 CHADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449116495 1124650535 /nfs/dbraw/zinc/65/05/35/1124650535.db2.gz LMIUYHAMRSIXFN-KLHKWILBSA-N 2 1 296.499 3.577 20 0 CHADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449116495 1124650536 /nfs/dbraw/zinc/65/05/36/1124650536.db2.gz LMIUYHAMRSIXFN-KLHKWILBSA-N 2 1 296.499 3.577 20 0 CHADMP CC(C)CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000449176723 1124661586 /nfs/dbraw/zinc/66/15/86/1124661586.db2.gz UEWQBABFLODTEZ-VVLHAWIVSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000449176723 1124661589 /nfs/dbraw/zinc/66/15/89/1124661589.db2.gz UEWQBABFLODTEZ-VVLHAWIVSA-N 2 1 266.473 3.664 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3c(F)cccc32)[C@H](C)C1 ZINC000449349854 1124697093 /nfs/dbraw/zinc/69/70/93/1124697093.db2.gz KNFVJMGQBVFWHY-BVGQSLNGSA-N 2 1 290.426 3.523 20 0 CHADMP Cc1ccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c(C)c1 ZINC000449378328 1124715516 /nfs/dbraw/zinc/71/55/16/1124715516.db2.gz QYYAWXDSAXUXHK-ROUUACIJSA-N 2 1 298.474 3.551 20 0 CHADMP Cc1ccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c(C)c1 ZINC000449378327 1124716026 /nfs/dbraw/zinc/71/60/26/1124716026.db2.gz QYYAWXDSAXUXHK-QZTJIDSGSA-N 2 1 298.474 3.551 20 0 CHADMP c1c(C[N@H+]2CCC[C@H]2c2ccccc2)sc2c1C[NH2+]CC2 ZINC000873201994 1124751439 /nfs/dbraw/zinc/75/14/39/1124751439.db2.gz IXWHEMABUJJATQ-KRWDZBQOSA-N 2 1 298.455 3.731 20 0 CHADMP C[N@@H+](CCCCCC[NH3+])Cc1cccc(-c2cccnc2)c1 ZINC000873231589 1124752863 /nfs/dbraw/zinc/75/28/63/1124752863.db2.gz QKRQZVPOMFAGOP-UHFFFAOYSA-N 2 1 297.446 3.700 20 0 CHADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c2ccccc21 ZINC000873273532 1124759269 /nfs/dbraw/zinc/75/92/69/1124759269.db2.gz HYMUESMBOUVFOX-KBUPBQIOSA-N 2 1 296.336 3.618 20 0 CHADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449482469 1124762965 /nfs/dbraw/zinc/76/29/65/1124762965.db2.gz BVPHBNLMYDEAQW-OQIJWPOYSA-N 2 1 286.463 3.675 20 0 CHADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449482469 1124762970 /nfs/dbraw/zinc/76/29/70/1124762970.db2.gz BVPHBNLMYDEAQW-OQIJWPOYSA-N 2 1 286.463 3.675 20 0 CHADMP Cc1c[nH+]ccc1N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001121002427 1131287295 /nfs/dbraw/zinc/28/72/95/1131287295.db2.gz MXVYNVJKKZSQHF-HNNXBMFYSA-N 2 1 298.434 3.726 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](C)C1CCCCC1 ZINC000449560919 1124802438 /nfs/dbraw/zinc/80/24/38/1124802438.db2.gz QUQNCNYQXXBBLB-RLHTVVPMSA-N 2 1 278.484 3.806 20 0 CHADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000449560659 1124802534 /nfs/dbraw/zinc/80/25/34/1124802534.db2.gz OEHCJLXTWRMJEN-CIQAELJKSA-N 2 1 278.484 3.806 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561055 1124802937 /nfs/dbraw/zinc/80/29/37/1124802937.db2.gz RSIZCMVTOYCAKK-ZSNVMCELSA-N 2 1 266.473 3.662 20 0 CHADMP CCC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449735132 1124853083 /nfs/dbraw/zinc/85/30/83/1124853083.db2.gz PNTLLNOEJSZUNT-TVFCKZIOSA-N 2 1 278.484 3.809 20 0 CHADMP C[C@@H](C[NH2+][C@@H](C)c1ccnc(Cl)c1)C[NH+]1CCCCC1 ZINC000125617456 1124907201 /nfs/dbraw/zinc/90/72/01/1124907201.db2.gz GRIQOYBIUGHKNO-KBPBESRZSA-N 2 1 295.858 3.508 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)c2ccnc(Cl)c2)C1 ZINC000125885237 1124942716 /nfs/dbraw/zinc/94/27/16/1124942716.db2.gz XIOFKGROGYHFLF-UONOGXRCSA-N 2 1 295.858 3.506 20 0 CHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccnc(Cl)c2)C1 ZINC000125885237 1124942717 /nfs/dbraw/zinc/94/27/17/1124942717.db2.gz XIOFKGROGYHFLF-UONOGXRCSA-N 2 1 295.858 3.506 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccnc(Cl)c2)C1 ZINC000125885237 1124942721 /nfs/dbraw/zinc/94/27/21/1124942721.db2.gz XIOFKGROGYHFLF-UONOGXRCSA-N 2 1 295.858 3.506 20 0 CHADMP c1cc2ccc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cc2[nH]1 ZINC000529529356 1124981778 /nfs/dbraw/zinc/98/17/78/1124981778.db2.gz AHDWBRRGLJEUEK-SFHVURJKSA-N 2 1 297.446 3.618 20 0 CHADMP C(=C/c1ccccc1)\CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000450429945 1125022211 /nfs/dbraw/zinc/02/22/11/1125022211.db2.gz OGFXQAUBXCEISO-OFCRBKOVSA-N 2 1 284.447 3.508 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)s1 ZINC000121523815 1125131650 /nfs/dbraw/zinc/13/16/50/1125131650.db2.gz PKEMNZNIXICJJS-CHWSQXEVSA-N 2 1 291.464 3.802 20 0 CHADMP CC(C)Cc1ccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000392264142 1125143676 /nfs/dbraw/zinc/14/36/76/1125143676.db2.gz LLXZGTSUQKGSJY-INIZCTEOSA-N 2 1 286.463 3.798 20 0 CHADMP Cc1cc2cc([C@H](C)[NH2+]CCc3c[nH+]cn3C)oc2cc1C ZINC000530407460 1125151691 /nfs/dbraw/zinc/15/16/91/1125151691.db2.gz JSZZCCJZLIRKIF-AWEZNQCLSA-N 2 1 297.402 3.676 20 0 CHADMP CC(C)=CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000530711830 1125173158 /nfs/dbraw/zinc/17/31/58/1125173158.db2.gz ILOFFBIGFAKFFX-IEBWSBKVSA-N 2 1 286.463 3.938 20 0 CHADMP CC(C)=CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000530711830 1125173166 /nfs/dbraw/zinc/17/31/66/1125173166.db2.gz ILOFFBIGFAKFFX-IEBWSBKVSA-N 2 1 286.463 3.938 20 0 CHADMP CC(C)=CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000530711830 1125173169 /nfs/dbraw/zinc/17/31/69/1125173169.db2.gz ILOFFBIGFAKFFX-IEBWSBKVSA-N 2 1 286.463 3.938 20 0 CHADMP CC(C)=CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000530711830 1125173170 /nfs/dbraw/zinc/17/31/70/1125173170.db2.gz ILOFFBIGFAKFFX-IEBWSBKVSA-N 2 1 286.463 3.938 20 0 CHADMP Cc1nccn1CCCC[N@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000879749333 1125230094 /nfs/dbraw/zinc/23/00/94/1125230094.db2.gz GZRIXEPFYCOJKD-GOSISDBHSA-N 2 1 298.434 3.512 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000879749333 1125230099 /nfs/dbraw/zinc/23/00/99/1125230099.db2.gz GZRIXEPFYCOJKD-GOSISDBHSA-N 2 1 298.434 3.512 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000879749333 1125230102 /nfs/dbraw/zinc/23/01/02/1125230102.db2.gz GZRIXEPFYCOJKD-GOSISDBHSA-N 2 1 298.434 3.512 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)[C@H](C)C1 ZINC000532206258 1125238499 /nfs/dbraw/zinc/23/84/99/1125238499.db2.gz FNEFILGTNSBRNM-CRAIPNDOSA-N 2 1 274.452 3.630 20 0 CHADMP CC(C)(C)c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000035054349 1125301818 /nfs/dbraw/zinc/30/18/18/1125301818.db2.gz DXEOUOQXKGFATN-UHFFFAOYSA-N 2 1 286.463 3.701 20 0 CHADMP CCN1CCC([N@@H+](C)[C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC001168179297 1125343926 /nfs/dbraw/zinc/34/39/26/1125343926.db2.gz IVZQRRFGNOYJBE-AWEZNQCLSA-N 2 1 294.870 3.687 20 0 CHADMP CC[NH+]1CCC([N@H+](C)[C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC001168179297 1125343928 /nfs/dbraw/zinc/34/39/28/1125343928.db2.gz IVZQRRFGNOYJBE-AWEZNQCLSA-N 2 1 294.870 3.687 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)[C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC001168179297 1125343930 /nfs/dbraw/zinc/34/39/30/1125343930.db2.gz IVZQRRFGNOYJBE-AWEZNQCLSA-N 2 1 294.870 3.687 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC[C@H](C)CC2)cn1 ZINC000882905762 1125361199 /nfs/dbraw/zinc/36/11/99/1125361199.db2.gz SSRDKBFHABEXFU-WMLDXEAASA-N 2 1 298.434 3.634 20 0 CHADMP [NH3+][C@H]1C[C@H]([NH2+]C2(c3ccc(F)cc3)CCC2)c2ccccc21 ZINC000643467819 1125362883 /nfs/dbraw/zinc/36/28/83/1125362883.db2.gz UWNYIRSKXIJBDO-ROUUACIJSA-N 2 1 296.389 3.939 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1sccc1Cl ZINC000883173776 1125375028 /nfs/dbraw/zinc/37/50/28/1125375028.db2.gz SWYPLKHMOWIRES-YPMHNXCESA-N 2 1 286.872 3.784 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1sccc1Cl ZINC000883173776 1125375029 /nfs/dbraw/zinc/37/50/29/1125375029.db2.gz SWYPLKHMOWIRES-YPMHNXCESA-N 2 1 286.872 3.784 20 0 CHADMP C=C/C=C\CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000883259999 1125387371 /nfs/dbraw/zinc/38/73/71/1125387371.db2.gz GYABKAUINVSUOZ-ZRHASKPBSA-N 2 1 296.458 3.906 20 0 CHADMP C=C/C=C\CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000883259999 1125387375 /nfs/dbraw/zinc/38/73/75/1125387375.db2.gz GYABKAUINVSUOZ-ZRHASKPBSA-N 2 1 296.458 3.906 20 0 CHADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc(C)c1F ZINC000532447677 1125387916 /nfs/dbraw/zinc/38/79/16/1125387916.db2.gz RXCRPEWBZFVUSN-BHYGNILZSA-N 2 1 290.426 3.720 20 0 CHADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc(C)c1F ZINC000532447677 1125387918 /nfs/dbraw/zinc/38/79/18/1125387918.db2.gz RXCRPEWBZFVUSN-BHYGNILZSA-N 2 1 290.426 3.720 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2c(C)cc(C)cc2C)C1 ZINC000040592956 1125388895 /nfs/dbraw/zinc/38/88/95/1125388895.db2.gz HGZNRVQOEGSORY-DLBZAZTESA-N 2 1 274.452 3.604 20 0 CHADMP CCCC1CCC([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000040622260 1125389113 /nfs/dbraw/zinc/38/91/13/1125389113.db2.gz NRMRCCBXMMZXAO-AQFXKWCLSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000119387454 1125426029 /nfs/dbraw/zinc/42/60/29/1125426029.db2.gz JQOXMGKPQQDNNY-KRWDZBQOSA-N 2 1 275.440 3.626 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1C1CCCC1 ZINC000119387454 1125426032 /nfs/dbraw/zinc/42/60/32/1125426032.db2.gz JQOXMGKPQQDNNY-KRWDZBQOSA-N 2 1 275.440 3.626 20 0 CHADMP Cc1cccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCCC[NH2+]2)c1 ZINC001204849265 1125432563 /nfs/dbraw/zinc/43/25/63/1125432563.db2.gz ZAXJDYUCZQGDQI-ROUUACIJSA-N 2 1 272.436 3.664 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000124006047 1125434328 /nfs/dbraw/zinc/43/43/28/1125434328.db2.gz SDGAQIRZNKZGML-GOSISDBHSA-N 2 1 287.451 3.794 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000124006047 1125434331 /nfs/dbraw/zinc/43/43/31/1125434331.db2.gz SDGAQIRZNKZGML-GOSISDBHSA-N 2 1 287.451 3.794 20 0 CHADMP CC(C)[C@H](C[NH2+]C[C@H]1C[C@@H]1c1ccccc1)[NH+]1CCCC1 ZINC000348258468 1125447901 /nfs/dbraw/zinc/44/79/01/1125447901.db2.gz KIYLBFDEKUORBX-QRVBRYPASA-N 2 1 286.463 3.500 20 0 CHADMP CCS[C@H]1CC[C@H]([N@H+](C)CCCCn2cc[nH+]c2C)C1 ZINC000125537621 1125450097 /nfs/dbraw/zinc/45/00/97/1125450097.db2.gz KTHLJBZTSWDZPX-HOTGVXAUSA-N 2 1 295.496 3.578 20 0 CHADMP CCS[C@H]1CC[C@H]([N@@H+](C)CCCCn2cc[nH+]c2C)C1 ZINC000125537621 1125450099 /nfs/dbraw/zinc/45/00/99/1125450099.db2.gz KTHLJBZTSWDZPX-HOTGVXAUSA-N 2 1 295.496 3.578 20 0 CHADMP C[C@@H](CSC(C)(C)C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000126604266 1125455667 /nfs/dbraw/zinc/45/56/67/1125455667.db2.gz VNQBENKOOLGFNT-AVOUXACISA-N 2 1 284.513 3.512 20 0 CHADMP C[C@@H](CSC(C)(C)C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000126604266 1125455670 /nfs/dbraw/zinc/45/56/70/1125455670.db2.gz VNQBENKOOLGFNT-AVOUXACISA-N 2 1 284.513 3.512 20 0 CHADMP CSC(C)(C)C[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001258331390 1129208241 /nfs/dbraw/zinc/20/82/41/1129208241.db2.gz NJLKZIHCZIMLBS-KKUMJFAQSA-N 2 1 286.529 3.615 20 0 CHADMP Cc1cc(C)c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC000295876240 1129219415 /nfs/dbraw/zinc/21/94/15/1129219415.db2.gz GQFVXIQCNAINIE-CSNJMZFVSA-N 2 1 286.463 3.888 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000638303941 1129252529 /nfs/dbraw/zinc/25/25/29/1129252529.db2.gz WUZONRAEJOFUHV-POZUXBRTSA-N 2 1 284.447 3.743 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000638303941 1129252533 /nfs/dbraw/zinc/25/25/33/1129252533.db2.gz WUZONRAEJOFUHV-POZUXBRTSA-N 2 1 284.447 3.743 20 0 CHADMP Cc1ccc([C@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000348080624 1129277590 /nfs/dbraw/zinc/27/75/90/1129277590.db2.gz RDJPVFRRVDLTQH-ZWKOTPCHSA-N 2 1 272.436 3.616 20 0 CHADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3[C@@H]4CCC[C@@H]43)CC[N@H+]2C2CC2)cc1 ZINC000639326343 1129302578 /nfs/dbraw/zinc/30/25/78/1129302578.db2.gz ZEHHQIPUQMJOEU-LGKHCZOZSA-N 2 1 296.458 3.743 20 0 CHADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3[C@@H]4CCC[C@@H]43)CC[N@@H+]2C2CC2)cc1 ZINC000639326343 1129302581 /nfs/dbraw/zinc/30/25/81/1129302581.db2.gz ZEHHQIPUQMJOEU-LGKHCZOZSA-N 2 1 296.458 3.743 20 0 CHADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H]1CCC(F)(F)C1 ZINC000640533088 1129361442 /nfs/dbraw/zinc/36/14/42/1129361442.db2.gz CHNYAJJDGDUDMG-OAHLLOKOSA-N 2 1 288.426 3.620 20 0 CHADMP CCCCC[C@@H](CC)[N@@H+](C)C1CCN(CC)CC1 ZINC001258446596 1129368747 /nfs/dbraw/zinc/36/87/47/1129368747.db2.gz SEEOYFAZIISRRN-OAHLLOKOSA-N 2 1 254.462 3.761 20 0 CHADMP CCCCC[C@@H](CC)[N@H+](C)C1CC[NH+](CC)CC1 ZINC001258446596 1129368748 /nfs/dbraw/zinc/36/87/48/1129368748.db2.gz SEEOYFAZIISRRN-OAHLLOKOSA-N 2 1 254.462 3.761 20 0 CHADMP CCCCC[C@@H](CC)[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001258446596 1129368752 /nfs/dbraw/zinc/36/87/52/1129368752.db2.gz SEEOYFAZIISRRN-OAHLLOKOSA-N 2 1 254.462 3.761 20 0 CHADMP C[C@H](CC1CC1)[N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258456592 1129381831 /nfs/dbraw/zinc/38/18/31/1129381831.db2.gz OIWVPZZXRSHVTP-ZTFGCOKTSA-N 2 1 278.484 3.937 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 ZINC000034996408 1129424995 /nfs/dbraw/zinc/42/49/95/1129424995.db2.gz BHIQOMAFMHLGKE-OIISXLGYSA-N 2 1 266.473 3.521 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1csc(Cl)c1 ZINC000643548958 1129445957 /nfs/dbraw/zinc/44/59/57/1129445957.db2.gz XXTSIEYWVYCKJY-JQWIXIFHSA-N 2 1 284.856 3.727 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC(C)(C)C1 ZINC001258687237 1129501093 /nfs/dbraw/zinc/50/10/93/1129501093.db2.gz OAEIXLVNDAXGFD-OAGGEKHMSA-N 2 1 266.473 3.523 20 0 CHADMP CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647166410 1129553831 /nfs/dbraw/zinc/55/38/31/1129553831.db2.gz LUKIUCBFQDYJMI-FUHWJXTLSA-N 2 1 286.463 3.962 20 0 CHADMP CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647166410 1129553833 /nfs/dbraw/zinc/55/38/33/1129553833.db2.gz LUKIUCBFQDYJMI-FUHWJXTLSA-N 2 1 286.463 3.962 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CCC1 ZINC000647196547 1129556020 /nfs/dbraw/zinc/55/60/20/1129556020.db2.gz DAWQQBPKGSFWHY-QFBILLFUSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CCC1 ZINC000647196547 1129556021 /nfs/dbraw/zinc/55/60/21/1129556021.db2.gz DAWQQBPKGSFWHY-QFBILLFUSA-N 2 1 298.474 3.962 20 0 CHADMP C1CC1[NH+]1CCC([NH2+][C@@H](C2CCC2)C2CCCC2)CC1 ZINC000647330421 1129569824 /nfs/dbraw/zinc/56/98/24/1129569824.db2.gz IUUCTWWLYFGLLV-GOSISDBHSA-N 2 1 276.468 3.562 20 0 CHADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(C3CCCCC3)cc2)C1 ZINC000647829724 1129585633 /nfs/dbraw/zinc/58/56/33/1129585633.db2.gz QXHKLSSFRPVFLD-INIZCTEOSA-N 2 1 272.436 3.515 20 0 CHADMP Clc1ccccc1C[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000647884353 1129587077 /nfs/dbraw/zinc/58/70/77/1129587077.db2.gz GBKONUQSBKGTHJ-CQSZACIVSA-N 2 1 292.854 3.694 20 0 CHADMP C[C@H](c1cc(F)ccc1F)[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000647875686 1129587332 /nfs/dbraw/zinc/58/73/32/1129587332.db2.gz HTEGNRFRWGJWOT-CYBMUJFWSA-N 2 1 296.405 3.737 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000379639916 1129592347 /nfs/dbraw/zinc/59/23/47/1129592347.db2.gz WHVDVCULAZOBRU-ZAWLATJESA-N 2 1 286.463 3.818 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000379639916 1129592349 /nfs/dbraw/zinc/59/23/49/1129592349.db2.gz WHVDVCULAZOBRU-ZAWLATJESA-N 2 1 286.463 3.818 20 0 CHADMP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000648560358 1129614042 /nfs/dbraw/zinc/61/40/42/1129614042.db2.gz BGDGXHCZIXNOPS-IXDOHACOSA-N 2 1 289.467 3.640 20 0 CHADMP Cc1ccc(F)cc1CNCCC[N@H+](C)C1CCCCC1 ZINC000097848842 1129637658 /nfs/dbraw/zinc/63/76/58/1129637658.db2.gz LZNPPRPAGKQPMK-UHFFFAOYSA-N 2 1 292.442 3.878 20 0 CHADMP Cc1ccc(F)cc1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000097848842 1129637660 /nfs/dbraw/zinc/63/76/60/1129637660.db2.gz LZNPPRPAGKQPMK-UHFFFAOYSA-N 2 1 292.442 3.878 20 0 CHADMP Cc1ccc(F)cc1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000097848842 1129637662 /nfs/dbraw/zinc/63/76/62/1129637662.db2.gz LZNPPRPAGKQPMK-UHFFFAOYSA-N 2 1 292.442 3.878 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C(C3CC3)C3CC3)C2)cc1 ZINC000380945304 1129642451 /nfs/dbraw/zinc/64/24/51/1129642451.db2.gz OLONMWCHKIRIEU-QGZVFWFLSA-N 2 1 298.474 3.677 20 0 CHADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000390792858 1129659154 /nfs/dbraw/zinc/65/91/54/1129659154.db2.gz XNWCVHBSSASXHP-SCTDSRPQSA-N 2 1 288.479 3.923 20 0 CHADMP CCCc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)s1 ZINC001205995369 1129681665 /nfs/dbraw/zinc/68/16/65/1129681665.db2.gz NWYXZGVDRLCKAJ-UONOGXRCSA-N 2 1 280.481 3.507 20 0 CHADMP CC(C)C[C@@H](Cc1ccccc1)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001169058172 1129693807 /nfs/dbraw/zinc/69/38/07/1129693807.db2.gz DIIPOHIJPVOJEQ-RBUKOAKNSA-N 2 1 288.479 3.718 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc3sccc3c1)C2 ZINC001169099146 1129696424 /nfs/dbraw/zinc/69/64/24/1129696424.db2.gz OCZJEEDFIJSCSJ-PHZGNYQRSA-N 2 1 286.444 3.616 20 0 CHADMP CCC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC001169100531 1129697617 /nfs/dbraw/zinc/69/76/17/1129697617.db2.gz KPDGWSJRMQBDSE-XMTFNYHQSA-N 2 1 290.426 3.882 20 0 CHADMP CC(C)=CCC/C(C)=C/C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169100660 1129697675 /nfs/dbraw/zinc/69/76/75/1129697675.db2.gz KYEUYQCXJSFYLA-DCFXCVOLSA-N 2 1 276.468 3.894 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@@H]3CCCC[C@H]13)C2 ZINC001169101679 1129697712 /nfs/dbraw/zinc/69/77/12/1129697712.db2.gz UZVHYHQZKHQFTI-MCEUPANISA-N 2 1 276.468 3.560 20 0 CHADMP CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC001169123987 1129701311 /nfs/dbraw/zinc/70/13/11/1129701311.db2.gz OKIDSAZOBKXFMV-YVSFHVDLSA-N 2 1 264.457 3.560 20 0 CHADMP Cc1ccccc1[C@H]1CCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169129871 1129701590 /nfs/dbraw/zinc/70/15/90/1129701590.db2.gz LEVBEMPRASBTCJ-VUHPKUFZSA-N 2 1 284.447 3.757 20 0 CHADMP Cc1ccccc1[C@H]1CCC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169129871 1129701595 /nfs/dbraw/zinc/70/15/95/1129701595.db2.gz LEVBEMPRASBTCJ-VUHPKUFZSA-N 2 1 284.447 3.757 20 0 CHADMP Cc1ccccc1[C@H]1CCC[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169129871 1129701597 /nfs/dbraw/zinc/70/15/97/1129701597.db2.gz LEVBEMPRASBTCJ-VUHPKUFZSA-N 2 1 284.447 3.757 20 0 CHADMP Cc1ccc([C@H]2CCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169140457 1129701656 /nfs/dbraw/zinc/70/16/56/1129701656.db2.gz KCLXBIVOPWPEBR-YDZRNGNQSA-N 2 1 284.447 3.757 20 0 CHADMP Cc1ccc([C@H]2CCC[N@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169140457 1129701660 /nfs/dbraw/zinc/70/16/60/1129701660.db2.gz KCLXBIVOPWPEBR-YDZRNGNQSA-N 2 1 284.447 3.757 20 0 CHADMP Cc1ccc([C@H]2CCC[N@@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169140457 1129701661 /nfs/dbraw/zinc/70/16/61/1129701661.db2.gz KCLXBIVOPWPEBR-YDZRNGNQSA-N 2 1 284.447 3.757 20 0 CHADMP C[C@@H](CC1CCCCC1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108183 1129703743 /nfs/dbraw/zinc/70/37/43/1129703743.db2.gz PBLISBKPFDOIOG-QSPRXWTASA-N 2 1 264.457 3.560 20 0 CHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H]1c1ccccc1F)C2 ZINC001169141022 1129704323 /nfs/dbraw/zinc/70/43/23/1129704323.db2.gz NZYKPOOTHUDCHW-KRXQYRFLSA-N 2 1 288.410 3.588 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H]1c1ccccc1F)C2 ZINC001169141022 1129704324 /nfs/dbraw/zinc/70/43/24/1129704324.db2.gz NZYKPOOTHUDCHW-KRXQYRFLSA-N 2 1 288.410 3.588 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H]1c1ccccc1F)C2 ZINC001169141022 1129704327 /nfs/dbraw/zinc/70/43/27/1129704327.db2.gz NZYKPOOTHUDCHW-KRXQYRFLSA-N 2 1 288.410 3.588 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@H]1c1ccccc1F)C2 ZINC001169141022 1129704329 /nfs/dbraw/zinc/70/43/29/1129704329.db2.gz NZYKPOOTHUDCHW-KRXQYRFLSA-N 2 1 288.410 3.588 20 0 CHADMP CC1(C)C[C@H](Nc2ccc(C3CC3)c[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001169150383 1129705642 /nfs/dbraw/zinc/70/56/42/1129705642.db2.gz CDAXNJKDEMKHEF-MAUKXSAKSA-N 2 1 287.451 3.915 20 0 CHADMP CC1(C)C[C@H](Nc2[nH+]ccc3cc[nH]c32)C[C@@](C)(C[NH3+])C1 ZINC001169151234 1129705647 /nfs/dbraw/zinc/70/56/47/1129705647.db2.gz HFLSWSWGJIUSOQ-SUMWQHHRSA-N 2 1 286.423 3.519 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](CC(C)C)c2ccc(F)cc2)CC1 ZINC001169229856 1129710537 /nfs/dbraw/zinc/71/05/37/1129710537.db2.gz HJALNXRWVBMBDI-GOSISDBHSA-N 2 1 292.442 3.987 20 0 CHADMP CC[NH+]1CCC([N@H+](Cc2cccc(C)c2C)C2CC2)CC1 ZINC001169264385 1129711484 /nfs/dbraw/zinc/71/14/84/1129711484.db2.gz MEYHZYZHPBXFCG-UHFFFAOYSA-N 2 1 286.463 3.752 20 0 CHADMP CC[NH+]1CCC([N@@H+](Cc2cccc(C)c2C)C2CC2)CC1 ZINC001169264385 1129711488 /nfs/dbraw/zinc/71/14/88/1129711488.db2.gz MEYHZYZHPBXFCG-UHFFFAOYSA-N 2 1 286.463 3.752 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](CC2CC2)c2ccc(F)cc2)CC1 ZINC001169240436 1129712513 /nfs/dbraw/zinc/71/25/13/1129712513.db2.gz IJTNPLXTABVRKF-SFHVURJKSA-N 2 1 290.426 3.741 20 0 CHADMP CC(C)c1ccccc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206014035 1129743261 /nfs/dbraw/zinc/74/32/61/1129743261.db2.gz VLENQTYBAPNHOU-HZPDHXFCSA-N 2 1 274.452 3.617 20 0 CHADMP CC(C)[C@H]1c2ccccc2CC[N@H+]1CCCc1c[nH+]cn1C ZINC000653570625 1129785620 /nfs/dbraw/zinc/78/56/20/1129785620.db2.gz XXQBTWHYFCWTSI-IBGZPJMESA-N 2 1 297.446 3.608 20 0 CHADMP CC(C)[C@H]1c2ccccc2CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000653570625 1129785622 /nfs/dbraw/zinc/78/56/22/1129785622.db2.gz XXQBTWHYFCWTSI-IBGZPJMESA-N 2 1 297.446 3.608 20 0 CHADMP C[N@H+](CC[NH2+][C@@H]1CCCC(C)(C)CC1)C1CCCC1 ZINC000086909037 1129827184 /nfs/dbraw/zinc/82/71/84/1129827184.db2.gz DUFQOYCJQGKRSZ-OAHLLOKOSA-N 2 1 266.473 3.809 20 0 CHADMP CC[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000380945870 1129833502 /nfs/dbraw/zinc/83/35/02/1129833502.db2.gz OTQCEKGMVOHSHH-RBUKOAKNSA-N 2 1 288.479 3.923 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC(F)(F)[C@@H](F)C1 ZINC001258908249 1129845843 /nfs/dbraw/zinc/84/58/43/1129845843.db2.gz UANVWSBSUSGFOG-KBPBESRZSA-N 2 1 294.405 3.566 20 0 CHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCCc2ccccc2)cc1 ZINC000768336709 1129852130 /nfs/dbraw/zinc/85/21/30/1129852130.db2.gz IUFNWWNCOMXPMX-UHFFFAOYSA-N 2 1 296.458 3.813 20 0 CHADMP C[C@@H](C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000769317939 1129901979 /nfs/dbraw/zinc/90/19/79/1129901979.db2.gz BTIXADQTLBHAHA-KRWDZBQOSA-N 2 1 296.458 3.984 20 0 CHADMP C[C@]1(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)CC[N@@H+](Cc2ccccc2)C1 ZINC000800984470 1129902365 /nfs/dbraw/zinc/90/23/65/1129902365.db2.gz VHNXPNDJHUEHFM-ZGXWSNOMSA-N 2 1 298.474 3.677 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1C ZINC001206565476 1130055202 /nfs/dbraw/zinc/05/52/02/1130055202.db2.gz TVLAUTOLKKOIMZ-SFHVURJKSA-N 2 1 274.452 3.563 20 0 CHADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000902948927 1130089494 /nfs/dbraw/zinc/08/94/94/1130089494.db2.gz YNPBXHZCXUDIMF-JCECYMMASA-N 2 1 290.495 3.808 20 0 CHADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903058266 1130106581 /nfs/dbraw/zinc/10/65/81/1130106581.db2.gz OAIRZQCCZFYXOL-NMACRGETSA-N 2 1 284.447 3.538 20 0 CHADMP CC[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903066897 1130108071 /nfs/dbraw/zinc/10/80/71/1130108071.db2.gz MLLGUYSPPGMTSI-BDFJQQSHSA-N 2 1 276.468 3.703 20 0 CHADMP Cc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c(C)c1 ZINC000903079293 1130109545 /nfs/dbraw/zinc/10/95/45/1130109545.db2.gz LJPPNZRFPUMKLY-CTXDPNEZSA-N 2 1 298.474 3.593 20 0 CHADMP C[C@@H]1CCCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903079345 1130109773 /nfs/dbraw/zinc/10/97/73/1130109773.db2.gz MJHLRZIHPFOGOM-XILPPMENSA-N 2 1 276.468 3.560 20 0 CHADMP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccn1 ZINC000903089798 1130110709 /nfs/dbraw/zinc/11/07/09/1130110709.db2.gz SNHFSBASDHDANZ-SOXMVSPVSA-N 2 1 299.462 3.670 20 0 CHADMP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccn1 ZINC000903089798 1130110711 /nfs/dbraw/zinc/11/07/11/1130110711.db2.gz SNHFSBASDHDANZ-SOXMVSPVSA-N 2 1 299.462 3.670 20 0 CHADMP CC[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903099589 1130111494 /nfs/dbraw/zinc/11/14/94/1130111494.db2.gz JULFUOUYBQMJKS-WNJABXAVSA-N 2 1 276.468 3.703 20 0 CHADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1C[C@@H]1C1CCCCC1)C2 ZINC000903122443 1130116382 /nfs/dbraw/zinc/11/63/82/1130116382.db2.gz YZHMNQKCYBFKML-MSEHENTLSA-N 2 1 288.479 3.703 20 0 CHADMP CS[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(C)(C)C ZINC000903146949 1130119447 /nfs/dbraw/zinc/11/94/47/1130119447.db2.gz DHFODGKJDXPGCX-WDVRLDOZSA-N 2 1 296.524 3.512 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[C@@H]1C ZINC000903153717 1130120368 /nfs/dbraw/zinc/12/03/68/1130120368.db2.gz RFYSNJGHFWPAKJ-VABGUIGCSA-N 2 1 276.468 3.559 20 0 CHADMP Cc1ccccc1C1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903192907 1130128289 /nfs/dbraw/zinc/12/82/89/1130128289.db2.gz ROZCZICGTKPMDQ-ZNXRZULTSA-N 2 1 296.458 3.732 20 0 CHADMP Cc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)s1 ZINC001204033534 1130207226 /nfs/dbraw/zinc/20/72/26/1130207226.db2.gz FTUUJSPYOYPDNC-JKSUJKDBSA-N 2 1 292.492 3.895 20 0 CHADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)s1 ZINC001204033534 1130207229 /nfs/dbraw/zinc/20/72/29/1130207229.db2.gz FTUUJSPYOYPDNC-JKSUJKDBSA-N 2 1 292.492 3.895 20 0 CHADMP Cc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)s1 ZINC001204033534 1130207235 /nfs/dbraw/zinc/20/72/35/1130207235.db2.gz FTUUJSPYOYPDNC-JKSUJKDBSA-N 2 1 292.492 3.895 20 0 CHADMP CC[N@@H+](C)C1CC[NH+]([C@H](C)CCCC(C)C)CC1 ZINC001170090684 1130213412 /nfs/dbraw/zinc/21/34/12/1130213412.db2.gz NKDPDKOJNHXNDJ-OAHLLOKOSA-N 2 1 254.462 3.617 20 0 CHADMP Cc1c(Cl)ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1F ZINC001206036775 1130254260 /nfs/dbraw/zinc/25/42/60/1130254260.db2.gz PVYQVPFSPFEVNG-DGCLKSJQSA-N 2 1 298.833 3.594 20 0 CHADMP c1ccc2cc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)ccc2c1 ZINC000677237659 1130298151 /nfs/dbraw/zinc/29/81/51/1130298151.db2.gz MNCUIKFSQDPNGH-WOJBJXKFSA-N 2 1 294.442 3.599 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+]C(C)(C)c1ccc(C(C)C)cc1 ZINC000678003935 1130341153 /nfs/dbraw/zinc/34/11/53/1130341153.db2.gz OYFBJXIJRNFSMC-UHFFFAOYSA-N 2 1 285.435 3.840 20 0 CHADMP CC(C)c1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000678580367 1130430511 /nfs/dbraw/zinc/43/05/11/1130430511.db2.gz AAERCHQOVLGVDY-RTBURBONSA-N 2 1 286.463 3.569 20 0 CHADMP CC1CC(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001170206535 1130458603 /nfs/dbraw/zinc/45/86/03/1130458603.db2.gz WIIIKFZDFJYJNZ-UUKMXZOPSA-N 2 1 298.474 3.631 20 0 CHADMP CC1CC(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001170206535 1130458606 /nfs/dbraw/zinc/45/86/06/1130458606.db2.gz WIIIKFZDFJYJNZ-UUKMXZOPSA-N 2 1 298.474 3.631 20 0 CHADMP C[C@@H](Cc1ccccc1Cl)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001170250001 1130472873 /nfs/dbraw/zinc/47/28/73/1130472873.db2.gz FZKQMLXDYTWZQF-GJZGRUSLSA-N 2 1 294.870 3.593 20 0 CHADMP C[C@H](Cc1ccccc1Cl)[N@@H+](C)CCC[NH+]1CCCC1 ZINC001170283413 1130479333 /nfs/dbraw/zinc/47/93/33/1130479333.db2.gz LABUVFMGNZHESP-OAHLLOKOSA-N 2 1 294.870 3.689 20 0 CHADMP CC(C)[N@H+](Cc1ccc(Cl)cc1F)[C@H]1CCC[NH2+]CC1 ZINC001206579909 1130488642 /nfs/dbraw/zinc/48/86/42/1130488642.db2.gz AVAIXRHDFRGVER-HNNXBMFYSA-N 2 1 298.833 3.832 20 0 CHADMP CC(C)[N@@H+](Cc1ccc(Cl)cc1F)[C@H]1CCC[NH2+]CC1 ZINC001206579909 1130488644 /nfs/dbraw/zinc/48/86/44/1130488644.db2.gz AVAIXRHDFRGVER-HNNXBMFYSA-N 2 1 298.833 3.832 20 0 CHADMP Cc1cccc(C2([NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)CCCC2)c1 ZINC000679127514 1130495414 /nfs/dbraw/zinc/49/54/14/1130495414.db2.gz CWTRGXLKANFWLR-WMZOPIPTSA-N 2 1 286.463 3.837 20 0 CHADMP Cc1cccc(C2([NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)CCCC2)c1 ZINC000679127514 1130495419 /nfs/dbraw/zinc/49/54/19/1130495419.db2.gz CWTRGXLKANFWLR-WMZOPIPTSA-N 2 1 286.463 3.837 20 0 CHADMP C[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000679393204 1130525685 /nfs/dbraw/zinc/52/56/85/1130525685.db2.gz HTPUJHAXXYTNNP-GEALJGNFSA-N 2 1 298.474 3.818 20 0 CHADMP CCC[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000679394869 1130527855 /nfs/dbraw/zinc/52/78/55/1130527855.db2.gz PASCJJXZJWOZTR-KANFNMMFSA-N 2 1 286.463 3.960 20 0 CHADMP C[C@@H]([NH2+]CC1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000679740032 1130554699 /nfs/dbraw/zinc/55/46/99/1130554699.db2.gz UALZJBJEAYUSSD-WBVHZDCISA-N 2 1 278.484 3.809 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3cnccc32)C[C@H]1C ZINC000679990319 1130568096 /nfs/dbraw/zinc/56/80/96/1130568096.db2.gz VEPYPQYFZSTHCC-CRAIPNDOSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3cnccc32)C[C@H]1C ZINC000679990319 1130568098 /nfs/dbraw/zinc/56/80/98/1130568098.db2.gz VEPYPQYFZSTHCC-CRAIPNDOSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3cnccc32)C[C@H]1C ZINC000679990319 1130568102 /nfs/dbraw/zinc/56/81/02/1130568102.db2.gz VEPYPQYFZSTHCC-CRAIPNDOSA-N 2 1 297.446 3.539 20 0 CHADMP CC(C)=CCCC1=CC[C@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC001235004066 1130702264 /nfs/dbraw/zinc/70/22/64/1130702264.db2.gz QRJIGPPPZLRPOK-FHWLQOOXSA-N 2 1 288.479 3.896 20 0 CHADMP CC(C)=CCCC1=CC[C@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC001235004066 1130702271 /nfs/dbraw/zinc/70/22/71/1130702271.db2.gz QRJIGPPPZLRPOK-FHWLQOOXSA-N 2 1 288.479 3.896 20 0 CHADMP c1csc(-c2ccc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)cc2)c1 ZINC001235031158 1130702858 /nfs/dbraw/zinc/70/28/58/1130702858.db2.gz CVAILFIENPRZDA-SFHVURJKSA-N 2 1 298.455 3.601 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc(C)c1F ZINC001235042304 1130705214 /nfs/dbraw/zinc/70/52/14/1130705214.db2.gz AIMBAQFFXJNBFO-GOSISDBHSA-N 2 1 290.426 3.551 20 0 CHADMP c1ccc(C2(C[N@H+]3CCC4(C3)CC[NH2+]CC4)CCCC2)cc1 ZINC001235094377 1130710736 /nfs/dbraw/zinc/71/07/36/1130710736.db2.gz YRRWDAFCGCBGAQ-UHFFFAOYSA-N 2 1 298.474 3.574 20 0 CHADMP Cc1c(C)c(C)c(C[N@H+]2CCC23CC[NH2+]CC3)c(C)c1C ZINC001235103697 1130712178 /nfs/dbraw/zinc/71/21/78/1130712178.db2.gz WIPLWQPNZIXRDP-UHFFFAOYSA-N 2 1 286.463 3.557 20 0 CHADMP CC(C)(CC[N@@H+]1CCCC[C@@]12CC[NH2+]C2)c1ccccc1 ZINC001235122504 1130713847 /nfs/dbraw/zinc/71/38/47/1130713847.db2.gz GOBSBFTUTWFTNH-IBGZPJMESA-N 2 1 286.463 3.572 20 0 CHADMP CC(C)(CC[N@H+]1CCCC[C@@]12CC[NH2+]C2)c1ccccc1 ZINC001235122504 1130713852 /nfs/dbraw/zinc/71/38/52/1130713852.db2.gz GOBSBFTUTWFTNH-IBGZPJMESA-N 2 1 286.463 3.572 20 0 CHADMP Cc1cc(C)cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235160636 1130715620 /nfs/dbraw/zinc/71/56/20/1130715620.db2.gz YCUZOZLDBHBYLW-LJQANCHMSA-N 2 1 286.463 3.658 20 0 CHADMP Clc1ccsc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235160586 1130715897 /nfs/dbraw/zinc/71/58/97/1130715897.db2.gz YBUGNUSIPIOCMI-AWEZNQCLSA-N 2 1 298.883 3.756 20 0 CHADMP C[C@@H](C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1)c1ccccc1 ZINC001235154954 1130716642 /nfs/dbraw/zinc/71/66/42/1130716642.db2.gz XJGJZISEPKQWKG-LPHOPBHVSA-N 2 1 286.463 3.644 20 0 CHADMP CCc1cccc(C)c1C[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235177328 1130719469 /nfs/dbraw/zinc/71/94/69/1130719469.db2.gz IEWRJVAAFXLCFD-IBGZPJMESA-N 2 1 286.463 3.666 20 0 CHADMP CCc1cccc(C)c1C[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235177328 1130719473 /nfs/dbraw/zinc/71/94/73/1130719473.db2.gz IEWRJVAAFXLCFD-IBGZPJMESA-N 2 1 286.463 3.666 20 0 CHADMP Cc1ccc(Cl)cc1C[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001235189971 1130720396 /nfs/dbraw/zinc/72/03/96/1130720396.db2.gz RCWIYMICONECPN-UHFFFAOYSA-N 2 1 292.854 3.757 20 0 CHADMP Cc1ccc(Cl)cc1C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235189971 1130720402 /nfs/dbraw/zinc/72/04/02/1130720402.db2.gz RCWIYMICONECPN-UHFFFAOYSA-N 2 1 292.854 3.757 20 0 CHADMP c1ccc(C2CC2)c(C[N@H+]2CCCCC23CC[NH2+]CC3)c1 ZINC001235189640 1130721150 /nfs/dbraw/zinc/72/11/50/1130721150.db2.gz OWGDSTSBCHFERR-UHFFFAOYSA-N 2 1 284.447 3.672 20 0 CHADMP Cc1ccc(C[N@@H+]2CCCCC23CC[NH2+]CC3)cc1Cl ZINC001235189356 1130721672 /nfs/dbraw/zinc/72/16/72/1130721672.db2.gz IWPRPWDBGFZPSE-UHFFFAOYSA-N 2 1 292.854 3.757 20 0 CHADMP Cc1ccc(C[N@H+]2CCCCC23CC[NH2+]CC3)cc1Cl ZINC001235189356 1130721676 /nfs/dbraw/zinc/72/16/76/1130721676.db2.gz IWPRPWDBGFZPSE-UHFFFAOYSA-N 2 1 292.854 3.757 20 0 CHADMP c1ccc2c(c1)cccc2C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235191402 1130723455 /nfs/dbraw/zinc/72/34/55/1130723455.db2.gz TUMIMFGPPBYTRZ-UHFFFAOYSA-N 2 1 294.442 3.948 20 0 CHADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(-c3ccccc3)cc1)C2 ZINC001235238973 1130726542 /nfs/dbraw/zinc/72/65/42/1130726542.db2.gz DLOKUXVUTKLGTP-WOJBJXKFSA-N 2 1 292.426 3.667 20 0 CHADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(-c3ccccc3)cc1)C2 ZINC001235238973 1130726549 /nfs/dbraw/zinc/72/65/49/1130726549.db2.gz DLOKUXVUTKLGTP-WOJBJXKFSA-N 2 1 292.426 3.667 20 0 CHADMP Cc1ccc(-c2cccc(C[N@H+]3C[C@@H]4C[C@H]3C[C@@H]4[NH3+])c2)cc1 ZINC001235254582 1130726873 /nfs/dbraw/zinc/72/68/73/1130726873.db2.gz KBPXRKIZCAIPPO-UFYCRDLUSA-N 2 1 292.426 3.584 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H]4CCC[C@@]4([NH3+])C3)cc2)o1 ZINC001235244439 1130727461 /nfs/dbraw/zinc/72/74/61/1130727461.db2.gz BBRRMLLBQSFLJT-IEBWSBKVSA-N 2 1 296.414 3.568 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@H]4CCC[C@@]4([NH3+])C3)cc2)o1 ZINC001235244439 1130727465 /nfs/dbraw/zinc/72/74/65/1130727465.db2.gz BBRRMLLBQSFLJT-IEBWSBKVSA-N 2 1 296.414 3.568 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235246159 1130728422 /nfs/dbraw/zinc/72/84/22/1130728422.db2.gz VBGHOAAQUXFDGO-CXAGYDPISA-N 2 1 286.444 3.523 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235246159 1130728426 /nfs/dbraw/zinc/72/84/26/1130728426.db2.gz VBGHOAAQUXFDGO-CXAGYDPISA-N 2 1 286.444 3.523 20 0 CHADMP CC(C)c1cc(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)ccc1Cl ZINC001235342165 1130733711 /nfs/dbraw/zinc/73/37/11/1130733711.db2.gz UFQNHXGHOZLDRM-CQSZACIVSA-N 2 1 292.854 3.505 20 0 CHADMP Cc1cc(C)cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235426235 1130742128 /nfs/dbraw/zinc/74/21/28/1130742128.db2.gz NZZUUCZRAGJTCE-RBUKOAKNSA-N 2 1 286.463 3.515 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235433139 1130744594 /nfs/dbraw/zinc/74/45/94/1130744594.db2.gz GNVITBACHQKVQT-UHFFFAOYSA-N 2 1 282.431 3.580 20 0 CHADMP Cc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC001235444813 1130746316 /nfs/dbraw/zinc/74/63/16/1130746316.db2.gz RXCWSHKAXXVHQM-LJQANCHMSA-N 2 1 280.415 3.791 20 0 CHADMP C[N@@H+](Cc1ccc(-c2cccs2)cc1)C1CC[NH2+]CC1 ZINC001235465393 1130747061 /nfs/dbraw/zinc/74/70/61/1130747061.db2.gz IYOSKDSHYGOTQL-UHFFFAOYSA-N 2 1 286.444 3.599 20 0 CHADMP CCC[N@H+](Cc1ccccc1)CC1CC2(C1)CC[NH2+]CC2 ZINC001235662491 1130762247 /nfs/dbraw/zinc/76/22/47/1130762247.db2.gz IJDFGRBHNRCFQQ-UHFFFAOYSA-N 2 1 286.463 3.678 20 0 CHADMP [NH3+]C[C@H]1CCC[N@H+](Cc2sc(Cl)c3ccccc32)C1 ZINC001235675099 1130765411 /nfs/dbraw/zinc/76/54/11/1130765411.db2.gz IXCOUMGQIQZOSL-LLVKDONJSA-N 2 1 294.851 3.725 20 0 CHADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2sc(Cl)c3ccccc32)C1 ZINC001235675099 1130765413 /nfs/dbraw/zinc/76/54/13/1130765413.db2.gz IXCOUMGQIQZOSL-LLVKDONJSA-N 2 1 294.851 3.725 20 0 CHADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(C3CCCCC3)cc2)C1 ZINC001235676184 1130765492 /nfs/dbraw/zinc/76/54/92/1130765492.db2.gz NQKUJECLXFQWCF-QGZVFWFLSA-N 2 1 286.463 3.905 20 0 CHADMP Cc1c(Cl)ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)c1F ZINC001235717907 1130771160 /nfs/dbraw/zinc/77/11/60/1130771160.db2.gz PEWIDPVHSQTWDG-UHFFFAOYSA-N 2 1 298.833 3.609 20 0 CHADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(C2CCC2)cc1 ZINC001235718291 1130772822 /nfs/dbraw/zinc/77/28/22/1130772822.db2.gz WKNLIGWDWKJIJP-UHFFFAOYSA-N 2 1 286.463 3.776 20 0 CHADMP CC[NH2+]C1CC[NH+](Cc2c(C)sc3ccccc32)CC1 ZINC001235727606 1130772896 /nfs/dbraw/zinc/77/28/96/1130772896.db2.gz ZQFNGMSFQIWLGM-UHFFFAOYSA-N 2 1 288.460 3.784 20 0 CHADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2F)cc1 ZINC001235718780 1130773089 /nfs/dbraw/zinc/77/30/89/1130773089.db2.gz NNRVQZLOAWQDMY-SFHVURJKSA-N 2 1 284.378 3.622 20 0 CHADMP COc1cccc([C@@H]2CCCC[N@H+]2CCCCCC[NH3+])c1 ZINC001235726153 1130773150 /nfs/dbraw/zinc/77/31/50/1130773150.db2.gz NGUOPORJNFUIDV-SFHVURJKSA-N 2 1 290.451 3.741 20 0 CHADMP CC[N@@H+](CC[C@H](C)CCC=C(C)C)C1CC[NH2+]CC1 ZINC001235760410 1130777400 /nfs/dbraw/zinc/77/74/00/1130777400.db2.gz PQUBHSRENLMCNO-MRXNPFEDSA-N 2 1 266.473 3.833 20 0 CHADMP [NH3+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(-c2ccccc2)c1 ZINC001235810802 1130782400 /nfs/dbraw/zinc/78/24/00/1130782400.db2.gz NWNBNDLBSDMXFG-ACDBMABISA-N 2 1 292.426 3.808 20 0 CHADMP Clc1ccccc1[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001235826877 1130783544 /nfs/dbraw/zinc/78/35/44/1130783544.db2.gz FBLDPBHXNFZTIU-GJZGRUSLSA-N 2 1 292.854 3.519 20 0 CHADMP Clc1ccccc1[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC001235827459 1130784563 /nfs/dbraw/zinc/78/45/63/1130784563.db2.gz LADJKLUDWZNQEB-HNNXBMFYSA-N 2 1 292.854 3.519 20 0 CHADMP CC1(C[N@H+]2CC[C@@H](c3ccccc3Cl)C2)CC[NH2+]CC1 ZINC001235828208 1130784929 /nfs/dbraw/zinc/78/49/29/1130784929.db2.gz YNDMUPXDYHNONE-CQSZACIVSA-N 2 1 292.854 3.519 20 0 CHADMP c1c(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)sc2c1CC[NH2+]C2 ZINC001235867424 1130791080 /nfs/dbraw/zinc/79/10/80/1130791080.db2.gz PTUDPGUPCQQUHH-CJNGLKHVSA-N 2 1 290.476 3.548 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3C[C@H]([NH3+])CC[C@H]3C)cc2)c1 ZINC001235902468 1130800161 /nfs/dbraw/zinc/80/01/61/1130800161.db2.gz GRVFMOQYQGTBKJ-OXQOHEQNSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1cccc(-c2ccc(C[N@@H+]3C[C@H]([NH3+])CC[C@H]3C)cc2)c1 ZINC001235902468 1130800167 /nfs/dbraw/zinc/80/01/67/1130800167.db2.gz GRVFMOQYQGTBKJ-OXQOHEQNSA-N 2 1 294.442 3.974 20 0 CHADMP C[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000783223241 1130803070 /nfs/dbraw/zinc/80/30/70/1130803070.db2.gz MMKVQCXCYGTSSA-GPMSIDNRSA-N 2 1 286.463 3.949 20 0 CHADMP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1cccc2c3ccccc3oc21 ZINC001235906826 1130803447 /nfs/dbraw/zinc/80/34/47/1130803447.db2.gz OVTLRNBVSYZYEZ-DZGCQCFKSA-N 2 1 294.398 3.898 20 0 CHADMP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1cccc2c3ccccc3oc21 ZINC001235906826 1130803450 /nfs/dbraw/zinc/80/34/50/1130803450.db2.gz OVTLRNBVSYZYEZ-DZGCQCFKSA-N 2 1 294.398 3.898 20 0 CHADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CCC[C@H]2CC[NH3+])cc1 ZINC001235925604 1130806568 /nfs/dbraw/zinc/80/65/68/1130806568.db2.gz XALPTXCISMRJLL-LPHOPBHVSA-N 2 1 288.479 3.802 20 0 CHADMP Clc1ccc([C@@H]2CC[N@@H+](CC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001235946722 1130813609 /nfs/dbraw/zinc/81/36/09/1130813609.db2.gz AGFBJVVVIJPTNZ-NVXWUHKLSA-N 2 1 292.854 3.662 20 0 CHADMP COC(C)(C)CCC[C@H](C)CC[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235952425 1130814005 /nfs/dbraw/zinc/81/40/05/1130814005.db2.gz XQNZIJOVSYBHRL-DLBZAZTESA-N 2 1 298.515 3.539 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001235960112 1130816444 /nfs/dbraw/zinc/81/64/44/1130816444.db2.gz OEJFMPOUMKETQO-HXUWFJFHSA-N 2 1 294.442 3.915 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+](C)C[C@@H]3CCC[NH2+]C3)cc2)o1 ZINC001235956710 1130817674 /nfs/dbraw/zinc/81/76/74/1130817674.db2.gz GEWPAZMTDRBNOU-QGZVFWFLSA-N 2 1 298.430 3.686 20 0 CHADMP FC1CC2(C1)CCC[N@@H+](CCC[NH2+]C1CCCCC1)CC2 ZINC001235993557 1130824996 /nfs/dbraw/zinc/82/49/96/1130824996.db2.gz OSWOVRITTBTXBD-UHFFFAOYSA-N 2 1 296.474 3.903 20 0 CHADMP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1cccc3c4ccccc4oc31)C2 ZINC001235989638 1130825394 /nfs/dbraw/zinc/82/53/94/1130825394.db2.gz JCNMURLNRZCRSQ-IFXJQAMLSA-N 2 1 292.382 3.509 20 0 CHADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1cccc3c4ccccc4oc31)C2 ZINC001235989638 1130825400 /nfs/dbraw/zinc/82/54/00/1130825400.db2.gz JCNMURLNRZCRSQ-IFXJQAMLSA-N 2 1 292.382 3.509 20 0 CHADMP CC[N@H+](Cc1cccc2c(F)cccc12)[C@@H]1CCC[NH2+]C1 ZINC001236008833 1130831924 /nfs/dbraw/zinc/83/19/24/1130831924.db2.gz JAHWHRPGTFCNPD-OAHLLOKOSA-N 2 1 286.394 3.553 20 0 CHADMP CC[N@@H+](Cc1cccc2c(F)cccc12)[C@@H]1CCC[NH2+]C1 ZINC001236008833 1130831932 /nfs/dbraw/zinc/83/19/32/1130831932.db2.gz JAHWHRPGTFCNPD-OAHLLOKOSA-N 2 1 286.394 3.553 20 0 CHADMP CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC001236059379 1130842897 /nfs/dbraw/zinc/84/28/97/1130842897.db2.gz GXDZQJUCCHZNMM-LJQANCHMSA-N 2 1 280.415 3.655 20 0 CHADMP C[C@H]1C[N@@H+](CCCCCC[NH3+])CCc2ccc(Cl)cc21 ZINC001236085367 1130853931 /nfs/dbraw/zinc/85/39/31/1130853931.db2.gz ORTKJRNVHIPQNT-AWEZNQCLSA-N 2 1 294.870 3.821 20 0 CHADMP COc1ccc(-c2ccccc2)cc1C[N@@H+](C)CCCC[NH3+] ZINC001236142003 1130874108 /nfs/dbraw/zinc/87/41/08/1130874108.db2.gz QSVSCJGXZAOAHL-UHFFFAOYSA-N 2 1 298.430 3.533 20 0 CHADMP C[N@@H+](CCCC[NH3+])Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001236142419 1130874605 /nfs/dbraw/zinc/87/46/05/1130874605.db2.gz XGBMMZVSLCIGCR-UHFFFAOYSA-N 2 1 286.394 3.663 20 0 CHADMP COc1ccc(-c2cccc(C[N@@H+](C)CCCC[NH3+])c2)cc1 ZINC001236141555 1130874755 /nfs/dbraw/zinc/87/47/55/1130874755.db2.gz IPDBYLGQTPSKPI-UHFFFAOYSA-N 2 1 298.430 3.533 20 0 CHADMP C[C@H](C[N@@H+](C)CCCC[NH3+])c1cccc2ccccc21 ZINC001236143318 1130875860 /nfs/dbraw/zinc/87/58/60/1130875860.db2.gz UXIZUVGQJZZNEB-OAHLLOKOSA-N 2 1 270.420 3.614 20 0 CHADMP CCC[N@@H+](Cc1ccc2cccccc1-2)C1CC[NH2+]CC1 ZINC001236184407 1130882479 /nfs/dbraw/zinc/88/24/79/1130882479.db2.gz KZOHDXKOZYMCHZ-UHFFFAOYSA-N 2 1 282.431 3.755 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]1c1c[nH]c2ccccc12 ZINC001236194180 1130885374 /nfs/dbraw/zinc/88/53/74/1130885374.db2.gz URELMRHXNQCPGW-GOSISDBHSA-N 2 1 285.435 3.824 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2c(Cl)ccc(C)c2F)CC1 ZINC001236212216 1130889636 /nfs/dbraw/zinc/88/96/36/1130889636.db2.gz GWVXQXTYNXZXOX-UHFFFAOYSA-N 2 1 298.833 3.750 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216186 1130891925 /nfs/dbraw/zinc/89/19/25/1130891925.db2.gz IWLHHYIYEQSDHY-CVEARBPZSA-N 2 1 288.460 3.911 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216186 1130891930 /nfs/dbraw/zinc/89/19/30/1130891930.db2.gz IWLHHYIYEQSDHY-CVEARBPZSA-N 2 1 288.460 3.911 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236218190 1130892249 /nfs/dbraw/zinc/89/22/49/1130892249.db2.gz RNANEDGEKBVAPA-HUUCEWRRSA-N 2 1 288.460 3.911 20 0 CHADMP C[N@@H+](CCC12CC3CC(CC(C3)C1)C2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236221833 1130895302 /nfs/dbraw/zinc/89/53/02/1130895302.db2.gz HCHCWURNVJVCSW-XYZPUYBCSA-N 2 1 290.495 3.795 20 0 CHADMP CC1=CC[C@@H](CC[N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)C1(C)C ZINC001236224890 1130897788 /nfs/dbraw/zinc/89/77/88/1130897788.db2.gz YBCXMTVCYWDQKG-JYJNAYRXSA-N 2 1 264.457 3.571 20 0 CHADMP CC[N@H+](Cc1ccc(C)cc1)CC1CC2(C1)CC[NH2+]CC2 ZINC001236243085 1130903596 /nfs/dbraw/zinc/90/35/96/1130903596.db2.gz BPIXOWFDMVEABV-UHFFFAOYSA-N 2 1 286.463 3.597 20 0 CHADMP Cc1[nH+]c2ccccn2c1Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001159204364 1130904169 /nfs/dbraw/zinc/90/41/69/1130904169.db2.gz XGKZDUYKZZQMPC-UHFFFAOYSA-N 2 1 280.375 3.580 20 0 CHADMP c1ccc(C[N@H+](CCC2CCCC2)C2CC[NH2+]CC2)cc1 ZINC001236284965 1130910969 /nfs/dbraw/zinc/91/09/69/1130910969.db2.gz AQSYPRMBVZWSFW-UHFFFAOYSA-N 2 1 286.463 3.821 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001236364707 1130920546 /nfs/dbraw/zinc/92/05/46/1130920546.db2.gz ZDOPQDKAJZRVFF-BFHYXJOUSA-N 2 1 292.389 3.580 20 0 CHADMP Cc1csc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236374811 1130923384 /nfs/dbraw/zinc/92/33/84/1130923384.db2.gz UNCLGWVHLRNIRY-HNNXBMFYSA-N 2 1 292.492 3.801 20 0 CHADMP CC[N@@H+](CC[C@H](C)CCCC(C)(C)OC)C[C@@H]1CC[NH2+]C1 ZINC001236407101 1130931184 /nfs/dbraw/zinc/93/11/84/1130931184.db2.gz BMMIOOGOUMGRMP-IAGOWNOFSA-N 2 1 298.515 3.539 20 0 CHADMP CC[N@H+](Cc1c(C)sc2ccccc21)C[C@H]1CC[NH2+]C1 ZINC001236410325 1130931814 /nfs/dbraw/zinc/93/18/14/1130931814.db2.gz YTZUUCWGUWVGPY-AWEZNQCLSA-N 2 1 288.460 3.641 20 0 CHADMP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccccc1-c1ccccc1 ZINC001236422468 1130937271 /nfs/dbraw/zinc/93/72/71/1130937271.db2.gz WOIPWIVIHYAPOF-BEFAXECRSA-N 2 1 280.415 3.665 20 0 CHADMP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccccc1-c1ccccc1 ZINC001236422468 1130937273 /nfs/dbraw/zinc/93/72/73/1130937273.db2.gz WOIPWIVIHYAPOF-BEFAXECRSA-N 2 1 280.415 3.665 20 0 CHADMP [NH3+]Cc1cccc(C[N@@H+](Cc2ccccc2)C2CCC2)c1 ZINC001236439857 1130942539 /nfs/dbraw/zinc/94/25/39/1130942539.db2.gz BSZRJOAQZIWMSS-UHFFFAOYSA-N 2 1 280.415 3.700 20 0 CHADMP C[C@H]1C[C@@H]1C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001236452563 1130945219 /nfs/dbraw/zinc/94/52/19/1130945219.db2.gz FVTIAFFBRZFKNZ-DZGCQCFKSA-N 2 1 292.854 3.550 20 0 CHADMP Cc1cc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c(C)s1 ZINC001236458020 1130946503 /nfs/dbraw/zinc/94/65/03/1130946503.db2.gz POPUKGACSPIGQE-UHFFFAOYSA-N 2 1 294.508 3.965 20 0 CHADMP CCCCC[N@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC001236503906 1130959214 /nfs/dbraw/zinc/95/92/14/1130959214.db2.gz GSKBLURESVTYAZ-UHFFFAOYSA-N 2 1 296.405 3.709 20 0 CHADMP CCCCC[N@@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC001236503906 1130959218 /nfs/dbraw/zinc/95/92/18/1130959218.db2.gz GSKBLURESVTYAZ-UHFFFAOYSA-N 2 1 296.405 3.709 20 0 CHADMP CCCC[C@@H](CC)C[N@@H+](CCC)C[C@H]1CC[NH2+]C1 ZINC001236831410 1131015801 /nfs/dbraw/zinc/01/58/01/1131015801.db2.gz QSIOSXPKYQVPFH-CVEARBPZSA-N 2 1 254.462 3.524 20 0 CHADMP CC(C)C[N@@H+](Cc1c(F)cccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550895 1130973447 /nfs/dbraw/zinc/97/34/47/1130973447.db2.gz OJWHMPRDXNCPFD-HDJSIYSDSA-N 2 1 296.405 3.693 20 0 CHADMP CCc1ccc(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)o1 ZINC001236551440 1130973725 /nfs/dbraw/zinc/97/37/25/1130973725.db2.gz QIGQPAYFYCDGPF-SHTZXODSSA-N 2 1 278.440 3.570 20 0 CHADMP Cc1cc(C[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)sc1C ZINC001236572134 1130978829 /nfs/dbraw/zinc/97/88/29/1130978829.db2.gz ITBGRWXUAJIFHU-KOMQPUFPSA-N 2 1 292.492 3.989 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001236603936 1130981411 /nfs/dbraw/zinc/98/14/11/1130981411.db2.gz FOLCCLPRVCTMDX-FQEVSTJZSA-N 2 1 294.442 3.833 20 0 CHADMP c1cc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c2cccccc1-2 ZINC001236637110 1130986554 /nfs/dbraw/zinc/98/65/54/1130986554.db2.gz MORVUAZDKROPJV-UHFFFAOYSA-N 2 1 294.442 3.898 20 0 CHADMP c1oc2ccccc2c1C[N@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236654264 1130990233 /nfs/dbraw/zinc/99/02/33/1130990233.db2.gz USYLTPOGJYFHKZ-QGZVFWFLSA-N 2 1 298.430 3.929 20 0 CHADMP c1oc2ccccc2c1C[N@@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236654264 1130990237 /nfs/dbraw/zinc/99/02/37/1130990237.db2.gz USYLTPOGJYFHKZ-QGZVFWFLSA-N 2 1 298.430 3.929 20 0 CHADMP CCC[C@H](Cc1ccccc1)[N@@H+](CCC)CCCC[NH3+] ZINC001236662137 1130991217 /nfs/dbraw/zinc/99/12/17/1130991217.db2.gz IUELRMJGRYVLGK-GOSISDBHSA-N 2 1 276.468 3.849 20 0 CHADMP CC[C@H](C)C[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236681144 1130992062 /nfs/dbraw/zinc/99/20/62/1130992062.db2.gz CHFNLOLKPWBZKY-SZMVWBNQSA-N 2 1 274.452 3.805 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2C)C1 ZINC000815563420 1131000229 /nfs/dbraw/zinc/00/02/29/1131000229.db2.gz BPPDBWAVIVIHKS-LSDHHAIUSA-N 2 1 278.415 3.517 20 0 CHADMP Cc1cccc(C[N@@H+](Cc2ccoc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236726186 1131000865 /nfs/dbraw/zinc/00/08/65/1131000865.db2.gz GQPOCRNIOHRACJ-WGSAOQKQSA-N 2 1 298.430 3.860 20 0 CHADMP CC1([NH+]2CCCC2)CC[NH+](Cc2cccc3occc32)CC1 ZINC001236737725 1131002124 /nfs/dbraw/zinc/00/21/24/1131002124.db2.gz IYQYLAKVKMVHBS-UHFFFAOYSA-N 2 1 298.430 3.883 20 0 CHADMP CC[C@H](C)C[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236741228 1131003437 /nfs/dbraw/zinc/00/34/37/1131003437.db2.gz ANQUFXGYVFGEOQ-WBAXXEDZSA-N 2 1 292.442 3.944 20 0 CHADMP C[C@H]1C[C@H]1C[N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236755784 1131004399 /nfs/dbraw/zinc/00/43/99/1131004399.db2.gz PJMYNWKKOGZPQD-DKIMLUQUSA-N 2 1 278.484 3.795 20 0 CHADMP CCC(CC)[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236783255 1131007291 /nfs/dbraw/zinc/00/72/91/1131007291.db2.gz RGLVWKJDNZGRIL-SAABIXHNSA-N 2 1 274.452 3.947 20 0 CHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(-c4ccsc4)c3)C[C@H]12 ZINC001236821028 1131013435 /nfs/dbraw/zinc/01/34/35/1131013435.db2.gz UIJLQCDPUGFVPV-BPQIPLTHSA-N 2 1 298.455 3.584 20 0 CHADMP CCC[N@@H+](CC[C@@H]1CC=C(C)C1(C)C)C[C@@H]1CC[NH2+]C1 ZINC001236829005 1131016931 /nfs/dbraw/zinc/01/69/31/1131016931.db2.gz JUDFYBCDGFVQDF-SJORKVTESA-N 2 1 278.484 3.690 20 0 CHADMP CCC[N@H+](Cc1ccc2cccccc1-2)C[C@@H]1CC[NH2+]C1 ZINC001236842993 1131021021 /nfs/dbraw/zinc/02/10/21/1131021021.db2.gz JDZCJIPHGNMRCB-MRXNPFEDSA-N 2 1 282.431 3.613 20 0 CHADMP CCC[N@@H+](Cc1ccc(F)c(C)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001236843230 1131021759 /nfs/dbraw/zinc/02/17/59/1131021759.db2.gz LWRXBMMWXXFHMA-ZDUSSCGKSA-N 2 1 298.833 3.609 20 0 CHADMP CCC[N@H+](Cc1ccc(F)c(C)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001236843230 1131021766 /nfs/dbraw/zinc/02/17/66/1131021766.db2.gz LWRXBMMWXXFHMA-ZDUSSCGKSA-N 2 1 298.833 3.609 20 0 CHADMP CCC[N@H+](Cc1ccccc1C(C)C)C[C@@H]1CC[NH2+]C1 ZINC001236844191 1131022046 /nfs/dbraw/zinc/02/20/46/1131022046.db2.gz UVUYIZKMBVKDGW-MRXNPFEDSA-N 2 1 274.452 3.632 20 0 CHADMP CC(C)[N@@H+](CC[C@@H]1CCCC[NH2+]1)[C@@H](C)c1ccccc1 ZINC001236859287 1131024363 /nfs/dbraw/zinc/02/43/63/1131024363.db2.gz JDCCFICYIKVUQZ-WMZOPIPTSA-N 2 1 274.452 3.990 20 0 CHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001237059856 1131044064 /nfs/dbraw/zinc/04/40/64/1131044064.db2.gz WIHNTINZFSCZJD-SFHVURJKSA-N 2 1 286.394 3.540 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237058713 1131044270 /nfs/dbraw/zinc/04/42/70/1131044270.db2.gz RLQWEIRTTNVFLK-AWFCHZOYSA-N 2 1 252.446 3.574 20 0 CHADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(Cl)c1Cl ZINC001237081308 1131046276 /nfs/dbraw/zinc/04/62/76/1131046276.db2.gz KOBLTLGJZGTELJ-VGPLMAKISA-N 2 1 299.245 3.695 20 0 CHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc(Cl)cs3)C2)CC1 ZINC000798957135 1131064461 /nfs/dbraw/zinc/06/44/61/1131064461.db2.gz VWMMFEXXNPXKHX-UHFFFAOYSA-N 2 1 298.883 3.709 20 0 CHADMP Cc1cc(C)cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000798956631 1131065456 /nfs/dbraw/zinc/06/54/56/1131065456.db2.gz HCNQKOWVBOQYFW-UHFFFAOYSA-N 2 1 286.463 3.611 20 0 CHADMP c1c(C[N@H+]2CCC3(C2)CCCCC3)sc2c1CC[NH2+]C2 ZINC001237203162 1131070146 /nfs/dbraw/zinc/07/01/46/1131070146.db2.gz BIEYTNZZTRVTRO-UHFFFAOYSA-N 2 1 290.476 3.550 20 0 CHADMP CC(C)CSCCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178937 1131074736 /nfs/dbraw/zinc/07/47/36/1131074736.db2.gz SJMXLAFVTHOJKH-UHFFFAOYSA-N 2 1 298.540 3.574 20 0 CHADMP CCC(CC)C[N@H+]1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237299249 1131078754 /nfs/dbraw/zinc/07/87/54/1131078754.db2.gz CBSQISYZQIESDW-UHFFFAOYSA-N 2 1 272.436 3.517 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c(C)cc(F)cc1C ZINC001237326023 1131084004 /nfs/dbraw/zinc/08/40/04/1131084004.db2.gz NWYZNHKVHNLTCW-UHFFFAOYSA-N 2 1 280.431 3.606 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237375500 1131092814 /nfs/dbraw/zinc/09/28/14/1131092814.db2.gz NDOTWBBVYVDNAY-BZSNNMDCSA-N 2 1 278.484 3.833 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237375500 1131092820 /nfs/dbraw/zinc/09/28/20/1131092820.db2.gz NDOTWBBVYVDNAY-BZSNNMDCSA-N 2 1 278.484 3.833 20 0 CHADMP CCCCc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)s1 ZINC001237394841 1131094478 /nfs/dbraw/zinc/09/44/78/1131094478.db2.gz WLLNIMSXEGEGCH-WMLDXEAASA-N 2 1 292.492 3.665 20 0 CHADMP CCCCc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)s1 ZINC001237394841 1131094486 /nfs/dbraw/zinc/09/44/86/1131094486.db2.gz WLLNIMSXEGEGCH-WMLDXEAASA-N 2 1 292.492 3.665 20 0 CHADMP CC(C)(C)c1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237402897 1131095510 /nfs/dbraw/zinc/09/55/10/1131095510.db2.gz JIRDMXLWNGTBMW-AEFFLSMTSA-N 2 1 286.463 3.558 20 0 CHADMP CC(C)(C)c1cccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237402897 1131095515 /nfs/dbraw/zinc/09/55/15/1131095515.db2.gz JIRDMXLWNGTBMW-AEFFLSMTSA-N 2 1 286.463 3.558 20 0 CHADMP CCCCc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237405804 1131096555 /nfs/dbraw/zinc/09/65/55/1131096555.db2.gz SAJOHWHKXHZUAS-OALUTQOASA-N 2 1 286.463 3.603 20 0 CHADMP CCC[N@@H+]1C[C@H]2CN(Cc3cccc(C(C)C)c3)C[C@H]2C1 ZINC001237460830 1131100575 /nfs/dbraw/zinc/10/05/75/1131100575.db2.gz YSIXAVFFEONPLK-KDURUIRLSA-N 2 1 286.463 3.584 20 0 CHADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(C(C)C)c3)C[C@@H]2C1 ZINC001237460830 1131100578 /nfs/dbraw/zinc/10/05/78/1131100578.db2.gz YSIXAVFFEONPLK-KDURUIRLSA-N 2 1 286.463 3.584 20 0 CHADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(C(C)C)c3)C[C@@H]2C1 ZINC001237460830 1131100584 /nfs/dbraw/zinc/10/05/84/1131100584.db2.gz YSIXAVFFEONPLK-KDURUIRLSA-N 2 1 286.463 3.584 20 0 CHADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(C(C)C)c3)C[C@@H]2C1 ZINC001237460830 1131100586 /nfs/dbraw/zinc/10/05/86/1131100586.db2.gz YSIXAVFFEONPLK-KDURUIRLSA-N 2 1 286.463 3.584 20 0 CHADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(C(C)C)c3)C[C@@H]2C1 ZINC001237460830 1131100592 /nfs/dbraw/zinc/10/05/92/1131100592.db2.gz YSIXAVFFEONPLK-KDURUIRLSA-N 2 1 286.463 3.584 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(C)cc(C)c2)C1 ZINC001116293773 1131139624 /nfs/dbraw/zinc/13/96/24/1131139624.db2.gz XNUILYZBOGUKAU-IRXDYDNUSA-N 2 1 274.452 3.686 20 0 CHADMP Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cccc3c[nH+]cn32)c1 ZINC001238102477 1131173542 /nfs/dbraw/zinc/17/35/42/1131173542.db2.gz DFNPAWVDLHIVFV-IBGZPJMESA-N 2 1 291.398 3.980 20 0 CHADMP Cc1cccc([C@@H]2CCC[N@H+]2Cc2cccc3c[nH+]cn32)c1 ZINC001238102477 1131173545 /nfs/dbraw/zinc/17/35/45/1131173545.db2.gz DFNPAWVDLHIVFV-IBGZPJMESA-N 2 1 291.398 3.980 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118242176 1131216658 /nfs/dbraw/zinc/21/66/58/1131216658.db2.gz AGRQDLBOLUYFHG-UHFFFAOYSA-N 2 1 298.430 3.707 20 0 CHADMP CCCCCC[C@H](CCC)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC001246235591 1131422875 /nfs/dbraw/zinc/42/28/75/1131422875.db2.gz ZEFBFVDWKWKVQF-CABCVRRESA-N 2 1 290.442 3.960 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)C2CCCC2)cc1 ZINC001138547509 1131518433 /nfs/dbraw/zinc/51/84/33/1131518433.db2.gz NQASJYVKNVYRML-UHFFFAOYSA-N 2 1 269.392 3.555 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)C2CCCC2)cc1 ZINC001138547509 1131518436 /nfs/dbraw/zinc/51/84/36/1131518436.db2.gz NQASJYVKNVYRML-UHFFFAOYSA-N 2 1 269.392 3.555 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)cc1 ZINC001138544796 1131518762 /nfs/dbraw/zinc/51/87/62/1131518762.db2.gz PFQIKNMNZNTNIL-QZTJIDSGSA-N 2 1 295.430 3.803 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)cc1 ZINC001138543952 1131519259 /nfs/dbraw/zinc/51/92/59/1131519259.db2.gz AGDNPGVYYDMMKM-QZTJIDSGSA-N 2 1 295.430 3.803 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)cc1 ZINC001138543952 1131519263 /nfs/dbraw/zinc/51/92/63/1131519263.db2.gz AGDNPGVYYDMMKM-QZTJIDSGSA-N 2 1 295.430 3.803 20 0 CHADMP CCCCC[C@@H](CC)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001246520827 1131546371 /nfs/dbraw/zinc/54/63/71/1131546371.db2.gz AKSQODUIOXCOMU-MRXNPFEDSA-N 2 1 266.473 3.811 20 0 CHADMP CCn1ccc2ccc(C[N@H+](C)C3CC[NH+](CC)CC3)cc21 ZINC001139123496 1131584430 /nfs/dbraw/zinc/58/44/30/1131584430.db2.gz XNUTWTUBQGADEK-UHFFFAOYSA-N 2 1 299.462 3.577 20 0 CHADMP CCn1ccc2ccc(C[N@@H+](C)C3CC[NH+](CC)CC3)cc21 ZINC001139123496 1131584436 /nfs/dbraw/zinc/58/44/36/1131584436.db2.gz XNUTWTUBQGADEK-UHFFFAOYSA-N 2 1 299.462 3.577 20 0 CHADMP CC[C@H]1C[C@@H]([N@H+](Cc2ccccc2)CC(C)C)CC[NH2+]1 ZINC001246556200 1131617961 /nfs/dbraw/zinc/61/79/61/1131617961.db2.gz BNDKSEIWRLINSC-ROUUACIJSA-N 2 1 274.452 3.675 20 0 CHADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@](C)(F)CC2)CC[NH2+]1 ZINC001246570881 1131646017 /nfs/dbraw/zinc/64/60/17/1131646017.db2.gz TZGZRIRJORJPKR-BZUAXINKSA-N 2 1 270.436 3.511 20 0 CHADMP C[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)C[C@H]1C ZINC001246574946 1131660663 /nfs/dbraw/zinc/66/06/63/1131660663.db2.gz OZKVDFHKJLEFOX-FPCVCCKLSA-N 2 1 266.473 3.521 20 0 CHADMP CCCC[C@@H]1C[C@H]([N@H+]2CCCC[C@@](C)(F)C2)CC[NH2+]1 ZINC001246576873 1131662176 /nfs/dbraw/zinc/66/21/76/1131662176.db2.gz PXORDXPDGCCTJE-BZUAXINKSA-N 2 1 270.436 3.511 20 0 CHADMP CC[C@]1(C)CCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000845925835 1131670604 /nfs/dbraw/zinc/67/06/04/1131670604.db2.gz ASZBJIZKGGGNCO-SJLPKXTDSA-N 2 1 298.434 3.634 20 0 CHADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246578307 1131670725 /nfs/dbraw/zinc/67/07/25/1131670725.db2.gz AQKITJLULWSGHZ-WMLDXEAASA-N 2 1 294.870 3.722 20 0 CHADMP CCCCCC[C@@H](CC)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246584784 1131693934 /nfs/dbraw/zinc/69/39/34/1131693934.db2.gz UUJHSJZXFJKORY-JKSUJKDBSA-N 2 1 254.462 3.796 20 0 CHADMP Cc1cccc([C@H]2CCC[N@H+]2CCCCCC[NH3+])c1 ZINC000846218753 1131701047 /nfs/dbraw/zinc/70/10/47/1131701047.db2.gz TYCSZGVQQJHCII-QGZVFWFLSA-N 2 1 260.425 3.651 20 0 CHADMP C[C@@H]1SCC[N@@H+](CCCCCC[NH3+])[C@@H]1c1ccccc1 ZINC000846219260 1131701921 /nfs/dbraw/zinc/70/19/21/1131701921.db2.gz MQEWWXITSZCXSC-RDJZCZTQSA-N 2 1 292.492 3.684 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000846222518 1131701950 /nfs/dbraw/zinc/70/19/50/1131701950.db2.gz FXZRVVDJPNPFHK-CYBMUJFWSA-N 2 1 292.389 3.560 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000846219403 1131702184 /nfs/dbraw/zinc/70/21/84/1131702184.db2.gz PYWGVVOXNVJWKM-KRWDZBQOSA-N 2 1 278.415 3.872 20 0 CHADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(-c2ccccn2)cc1 ZINC001140382376 1131709499 /nfs/dbraw/zinc/70/94/99/1131709499.db2.gz UQUACKUXFPGGKZ-UHFFFAOYSA-N 2 1 297.446 3.522 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(-c2ccccn2)cc1 ZINC001140382376 1131709502 /nfs/dbraw/zinc/70/95/02/1131709502.db2.gz UQUACKUXFPGGKZ-UHFFFAOYSA-N 2 1 297.446 3.522 20 0 CHADMP CCCCCC1CCC([N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CC1 ZINC001246595183 1131709711 /nfs/dbraw/zinc/70/97/11/1131709711.db2.gz XMQYEOPFWAIGQH-BACDZXNISA-N 2 1 284.463 3.887 20 0 CHADMP CCCCCC1CCC([N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CC1 ZINC001246595183 1131709715 /nfs/dbraw/zinc/70/97/15/1131709715.db2.gz XMQYEOPFWAIGQH-BACDZXNISA-N 2 1 284.463 3.887 20 0 CHADMP CCCC[C@@H]1C[C@H]([NH+]2CCC(C(F)(F)F)CC2)CC[NH2+]1 ZINC001246597096 1131710769 /nfs/dbraw/zinc/71/07/69/1131710769.db2.gz DUYNMTDTFMVMQD-ZIAGYGMSSA-N 2 1 292.389 3.572 20 0 CHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC001203031240 1131710777 /nfs/dbraw/zinc/71/07/77/1131710777.db2.gz DGQACZQVHZMILD-MRXNPFEDSA-N 2 1 268.489 3.913 20 0 CHADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001246602822 1131714625 /nfs/dbraw/zinc/71/46/25/1131714625.db2.gz JTCKKYDZQXYUJT-GVDBMIGSSA-N 2 1 266.473 3.523 20 0 CHADMP CCC1CCC([N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)CC1 ZINC001246615788 1131719870 /nfs/dbraw/zinc/71/98/70/1131719870.db2.gz SQJHHJZGAGJPAB-OFLPRAFFSA-N 2 1 264.457 3.563 20 0 CHADMP CCCC[C@@H](CCC)[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001246620412 1131719997 /nfs/dbraw/zinc/71/99/97/1131719997.db2.gz BIVGYISMNIXQMK-OAHLLOKOSA-N 2 1 252.446 3.563 20 0 CHADMP CCCCCC[C@H](CCC)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246623863 1131720474 /nfs/dbraw/zinc/72/04/74/1131720474.db2.gz NUDRQLKOXXBCKA-YESZJQIVSA-N 2 1 266.473 3.809 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2cccc(Cl)c12 ZINC001140446058 1131740450 /nfs/dbraw/zinc/74/04/50/1131740450.db2.gz DFCDXDNLOYGYAL-UHFFFAOYSA-N 2 1 293.842 3.595 20 0 CHADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1csc2ccccc12 ZINC000846854652 1131750296 /nfs/dbraw/zinc/75/02/96/1131750296.db2.gz KJXGCEMMJOAHMH-ZDUSSCGKSA-N 2 1 299.443 3.918 20 0 CHADMP CCCCC[C@H](CCC)[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001246693715 1131781748 /nfs/dbraw/zinc/78/17/48/1131781748.db2.gz QGRVIHYNLIELSU-GVDBMIGSSA-N 2 1 284.463 3.759 20 0 CHADMP CCCCC(CCCC)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247014480 1131842281 /nfs/dbraw/zinc/84/22/81/1131842281.db2.gz KLEPLNKUKKGJSG-WBVHZDCISA-N 2 1 266.473 3.809 20 0 CHADMP CCCCC(CCCC)[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247014480 1131842284 /nfs/dbraw/zinc/84/22/84/1131842284.db2.gz KLEPLNKUKKGJSG-WBVHZDCISA-N 2 1 266.473 3.809 20 0 CHADMP Cc1cc([NH+]2CCCCC2)ccc1NC[C@@H]1CCCC[NH2+]1 ZINC001171338338 1131872644 /nfs/dbraw/zinc/87/26/44/1131872644.db2.gz DZEFBDPVDMWVMB-INIZCTEOSA-N 2 1 287.451 3.539 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC001140804811 1131928806 /nfs/dbraw/zinc/92/88/06/1131928806.db2.gz GGNLJGOPIVOPRV-KRWDZBQOSA-N 2 1 263.344 3.510 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@H]1c1ccccc1 ZINC001140804811 1131928810 /nfs/dbraw/zinc/92/88/10/1131928810.db2.gz GGNLJGOPIVOPRV-KRWDZBQOSA-N 2 1 263.344 3.510 20 0 CHADMP c1[nH]c2ccncc2c1C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001140805217 1131929750 /nfs/dbraw/zinc/92/97/50/1131929750.db2.gz WSLWENSPCVSLII-OAHLLOKOSA-N 2 1 283.419 3.965 20 0 CHADMP c1nc2cc[nH]cc-2c1C[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001140805217 1131929758 /nfs/dbraw/zinc/92/97/58/1131929758.db2.gz WSLWENSPCVSLII-OAHLLOKOSA-N 2 1 283.419 3.965 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001140805217 1131929768 /nfs/dbraw/zinc/92/97/68/1131929768.db2.gz WSLWENSPCVSLII-OAHLLOKOSA-N 2 1 283.419 3.965 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001140805217 1131929774 /nfs/dbraw/zinc/92/97/74/1131929774.db2.gz WSLWENSPCVSLII-OAHLLOKOSA-N 2 1 283.419 3.965 20 0 CHADMP c1nc2cc[nH]cc-2c1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC001140807278 1131930071 /nfs/dbraw/zinc/93/00/71/1131930071.db2.gz SZXRJANTGYZNGR-GUYCJALGSA-N 2 1 269.392 3.718 20 0 CHADMP c1[nH]c2ccncc2c1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC001140807278 1131930080 /nfs/dbraw/zinc/93/00/80/1131930080.db2.gz SZXRJANTGYZNGR-GUYCJALGSA-N 2 1 269.392 3.718 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC001140807278 1131930094 /nfs/dbraw/zinc/93/00/94/1131930094.db2.gz SZXRJANTGYZNGR-GUYCJALGSA-N 2 1 269.392 3.718 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC001140807278 1131930098 /nfs/dbraw/zinc/93/00/98/1131930098.db2.gz SZXRJANTGYZNGR-GUYCJALGSA-N 2 1 269.392 3.718 20 0 CHADMP CC(C)(C)C[NH+]1CCC(Nc2cc(C3CC3)cc[nH+]2)CC1 ZINC001161208780 1131972388 /nfs/dbraw/zinc/97/23/88/1131972388.db2.gz LIZVJVIXWOAOQM-UHFFFAOYSA-N 2 1 287.451 3.881 20 0 CHADMP C[NH+](C)CCC[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000512444915 1131985565 /nfs/dbraw/zinc/98/55/65/1131985565.db2.gz UJCVTRLYHFUXBF-UHFFFAOYSA-N 2 1 282.431 3.737 20 0 CHADMP Cc1cc(Cl)ccc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001141233602 1132053950 /nfs/dbraw/zinc/05/39/50/1132053950.db2.gz RATOMHDUKAFFTF-UHFFFAOYSA-N 2 1 292.854 3.566 20 0 CHADMP Cc1ccc(CC[C@@H](C)n2c[nH+]cc2C2CC[NH2+]CC2)cc1 ZINC001171678905 1132076011 /nfs/dbraw/zinc/07/60/11/1132076011.db2.gz IZFMFJYHAOMDQS-MRXNPFEDSA-N 2 1 297.446 3.852 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC001171964220 1132112321 /nfs/dbraw/zinc/11/23/21/1132112321.db2.gz LBBKUDUSUPNEFB-MAUKXSAKSA-N 2 1 286.463 3.818 20 0 CHADMP CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967724 1132113030 /nfs/dbraw/zinc/11/30/30/1132113030.db2.gz AZONKLLHJFUOGW-WBVHZDCISA-N 2 1 274.452 3.818 20 0 CHADMP CC[N@H+](C1CC1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976871 1132116950 /nfs/dbraw/zinc/11/69/50/1132116950.db2.gz NZRTUBLVNUHJDA-GOSISDBHSA-N 2 1 286.463 3.914 20 0 CHADMP CC[N@@H+](C1CC1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976871 1132116955 /nfs/dbraw/zinc/11/69/55/1132116955.db2.gz NZRTUBLVNUHJDA-GOSISDBHSA-N 2 1 286.463 3.914 20 0 CHADMP CC[NH+](C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976871 1132116960 /nfs/dbraw/zinc/11/69/60/1132116960.db2.gz NZRTUBLVNUHJDA-GOSISDBHSA-N 2 1 286.463 3.914 20 0 CHADMP CC[NH+](C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976871 1132116964 /nfs/dbraw/zinc/11/69/64/1132116964.db2.gz NZRTUBLVNUHJDA-GOSISDBHSA-N 2 1 286.463 3.914 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(Cl)c1F)C2 ZINC001172101679 1132122422 /nfs/dbraw/zinc/12/24/22/1132122422.db2.gz HUBPDQSUHGFFOY-BTTYYORXSA-N 2 1 296.817 3.584 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(Cl)c1F)C2 ZINC001172101679 1132122427 /nfs/dbraw/zinc/12/24/27/1132122427.db2.gz HUBPDQSUHGFFOY-BTTYYORXSA-N 2 1 296.817 3.584 20 0 CHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCCC2)C3)cc1 ZINC001172081000 1132122503 /nfs/dbraw/zinc/12/25/03/1132122503.db2.gz YTWYZQRKALSFHR-REPLKXPHSA-N 2 1 284.447 3.668 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCCC2)C3)cc1 ZINC001172081000 1132122511 /nfs/dbraw/zinc/12/25/11/1132122511.db2.gz YTWYZQRKALSFHR-REPLKXPHSA-N 2 1 284.447 3.668 20 0 CHADMP CC[N@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172079372 1132123770 /nfs/dbraw/zinc/12/37/70/1132123770.db2.gz NVWUMGQBRIGEDF-PIIMJCKOSA-N 2 1 272.436 3.524 20 0 CHADMP CC[N@@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172079372 1132123775 /nfs/dbraw/zinc/12/37/75/1132123775.db2.gz NVWUMGQBRIGEDF-PIIMJCKOSA-N 2 1 272.436 3.524 20 0 CHADMP CC[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172079372 1132123779 /nfs/dbraw/zinc/12/37/79/1132123779.db2.gz NVWUMGQBRIGEDF-PIIMJCKOSA-N 2 1 272.436 3.524 20 0 CHADMP CC[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172079372 1132123785 /nfs/dbraw/zinc/12/37/85/1132123785.db2.gz NVWUMGQBRIGEDF-PIIMJCKOSA-N 2 1 272.436 3.524 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)C2 ZINC001172099554 1132126179 /nfs/dbraw/zinc/12/61/79/1132126179.db2.gz LAYSTKYOQUMMGZ-RDGPPVDQSA-N 2 1 284.447 3.743 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)C2 ZINC001172099554 1132126180 /nfs/dbraw/zinc/12/61/80/1132126180.db2.gz LAYSTKYOQUMMGZ-RDGPPVDQSA-N 2 1 284.447 3.743 20 0 CHADMP Cc1ccc([C@H]2CCC[NH+]2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cn1 ZINC001172129260 1132128065 /nfs/dbraw/zinc/12/80/65/1132128065.db2.gz XWZKOFHVMMJXPA-YDZRNGNQSA-N 2 1 299.462 3.542 20 0 CHADMP Cc1ccc([C@H]2CCC[NH+]2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cn1 ZINC001172129260 1132128069 /nfs/dbraw/zinc/12/80/69/1132128069.db2.gz XWZKOFHVMMJXPA-YDZRNGNQSA-N 2 1 299.462 3.542 20 0 CHADMP Cc1ccc([C@H]2CCC[N@H+]2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cn1 ZINC001172129260 1132128072 /nfs/dbraw/zinc/12/80/72/1132128072.db2.gz XWZKOFHVMMJXPA-YDZRNGNQSA-N 2 1 299.462 3.542 20 0 CHADMP Cc1ccc([C@H]2CCC[N@@H+]2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cn1 ZINC001172129260 1132128075 /nfs/dbraw/zinc/12/80/75/1132128075.db2.gz XWZKOFHVMMJXPA-YDZRNGNQSA-N 2 1 299.462 3.542 20 0 CHADMP C[C@H]([NH3+])c1cn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c2ccccc12 ZINC001172108764 1132129160 /nfs/dbraw/zinc/12/91/60/1132129160.db2.gz DWVBSAWCHLDRIP-JONQDZQNSA-N 2 1 297.446 3.849 20 0 CHADMP CC[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1F ZINC001172108859 1132129528 /nfs/dbraw/zinc/12/95/28/1132129528.db2.gz GYAWQMQCOZXWLP-KRXQYRFLSA-N 2 1 290.426 3.882 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC(C)(C)C1 ZINC001172104642 1132130052 /nfs/dbraw/zinc/13/00/52/1132130052.db2.gz DQWBEKCEUGVCSM-HHARLNAUSA-N 2 1 278.484 3.806 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC(C)(C)C1 ZINC001172104642 1132130056 /nfs/dbraw/zinc/13/00/56/1132130056.db2.gz DQWBEKCEUGVCSM-HHARLNAUSA-N 2 1 278.484 3.806 20 0 CHADMP Cc1ccc(C(C)(C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172106259 1132130703 /nfs/dbraw/zinc/13/07/03/1132130703.db2.gz OJVKQFDFDDCSKG-BCDXTJNWSA-N 2 1 286.463 3.835 20 0 CHADMP Cc1ccc(C(C)(C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172106259 1132130706 /nfs/dbraw/zinc/13/07/06/1132130706.db2.gz OJVKQFDFDDCSKG-BCDXTJNWSA-N 2 1 286.463 3.835 20 0 CHADMP Cc1cc(F)cc(C)c1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104431 1132130778 /nfs/dbraw/zinc/13/07/78/1132130778.db2.gz FUXBRRXRULUMRD-OSYLJGHBSA-N 2 1 290.426 3.547 20 0 CHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(F)c1F ZINC001172113707 1132131869 /nfs/dbraw/zinc/13/18/69/1132131869.db2.gz JEVATXHHJNJPIE-SYQHCUMBSA-N 2 1 294.389 3.631 20 0 CHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1F ZINC001172113707 1132131871 /nfs/dbraw/zinc/13/18/71/1132131871.db2.gz JEVATXHHJNJPIE-SYQHCUMBSA-N 2 1 294.389 3.631 20 0 CHADMP CCC[C@@H]1CCCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120462 1132133707 /nfs/dbraw/zinc/13/37/07/1132133707.db2.gz FLQOOZCNAIPIEP-NCOADZHNSA-N 2 1 264.457 3.656 20 0 CHADMP CCC[C@@H]1CCCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120462 1132133711 /nfs/dbraw/zinc/13/37/11/1132133711.db2.gz FLQOOZCNAIPIEP-NCOADZHNSA-N 2 1 264.457 3.656 20 0 CHADMP CCC[C@@H]1CCCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172120462 1132133713 /nfs/dbraw/zinc/13/37/13/1132133713.db2.gz FLQOOZCNAIPIEP-NCOADZHNSA-N 2 1 264.457 3.656 20 0 CHADMP CCC[C@@H]1CCCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172120462 1132133717 /nfs/dbraw/zinc/13/37/17/1132133717.db2.gz FLQOOZCNAIPIEP-NCOADZHNSA-N 2 1 264.457 3.656 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCCCC1(C)C)C2 ZINC001172112147 1132133771 /nfs/dbraw/zinc/13/37/71/1132133771.db2.gz SKFMTRSMOSDMGS-QKPAOTATSA-N 2 1 264.457 3.560 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCCCC1(C)C)C2 ZINC001172112147 1132133775 /nfs/dbraw/zinc/13/37/75/1132133775.db2.gz SKFMTRSMOSDMGS-QKPAOTATSA-N 2 1 264.457 3.560 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(CC3CCC3)CC1)C2 ZINC001172115693 1132133988 /nfs/dbraw/zinc/13/39/88/1132133988.db2.gz VDENCIWWQUNLJW-OSYLJGHBSA-N 2 1 276.468 3.562 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1c1cccs1)C2 ZINC001172121540 1132136112 /nfs/dbraw/zinc/13/61/12/1132136112.db2.gz KOFDEEYKRPKWDG-FXUDXRNXSA-N 2 1 290.476 3.900 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]1c1cccs1)C2 ZINC001172121540 1132136115 /nfs/dbraw/zinc/13/61/15/1132136115.db2.gz KOFDEEYKRPKWDG-FXUDXRNXSA-N 2 1 290.476 3.900 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]1c1cccs1)C2 ZINC001172121540 1132136118 /nfs/dbraw/zinc/13/61/18/1132136118.db2.gz KOFDEEYKRPKWDG-FXUDXRNXSA-N 2 1 290.476 3.900 20 0 CHADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC001172375419 1132167951 /nfs/dbraw/zinc/16/79/51/1132167951.db2.gz UPVBPIHBYCBFAY-SOLBZPMBSA-N 2 1 280.500 3.863 20 0 CHADMP CC[C@@H](CC(C)C)[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001172404187 1132197175 /nfs/dbraw/zinc/19/71/75/1132197175.db2.gz ZDFKNEGXOWSNFG-INIZCTEOSA-N 2 1 289.467 3.754 20 0 CHADMP CC[C@H](CC(C)C)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001172394440 1132218289 /nfs/dbraw/zinc/21/82/89/1132218289.db2.gz ULEQOBZMLKIXGL-OAHLLOKOSA-N 2 1 292.442 3.900 20 0 CHADMP CC[C@H](CC(C)C)[N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172398811 1132221393 /nfs/dbraw/zinc/22/13/93/1132221393.db2.gz ICQMQXLFSXLZJT-BZUAXINKSA-N 2 1 254.462 3.791 20 0 CHADMP CC[C@H](CC(C)C)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001172401024 1132222782 /nfs/dbraw/zinc/22/27/82/1132222782.db2.gz MVKWBZVLVOGSHN-JKSUJKDBSA-N 2 1 254.462 3.652 20 0 CHADMP CCC(CC)[N@@H+]([C@@H](C)CCOC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172438028 1132233613 /nfs/dbraw/zinc/23/36/13/1132233613.db2.gz ZTUGJLNQKNXKQE-BQFCYCMXSA-N 2 1 298.515 3.951 20 0 CHADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172552500 1132265318 /nfs/dbraw/zinc/26/53/18/1132265318.db2.gz ZOZLFBQLXWQVDO-XWSJACJDSA-N 2 1 286.463 3.785 20 0 CHADMP C[NH+]1CCC2(CC[N@H+]([C@@H]3CC[C@@H](c4ccccc4)C3)C2)CC1 ZINC001172565372 1132270621 /nfs/dbraw/zinc/27/06/21/1132270621.db2.gz XMNIEQJRKNZMCW-RTBURBONSA-N 2 1 298.474 3.740 20 0 CHADMP CCCCc1ccc(C[N@@H+](C)C2CCN(C)CC2)cc1 ZINC001231780000 1132357824 /nfs/dbraw/zinc/35/78/24/1132357824.db2.gz IGYSGFYXFOAKNF-UHFFFAOYSA-N 2 1 274.452 3.555 20 0 CHADMP CCCCc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001231780000 1132357833 /nfs/dbraw/zinc/35/78/33/1132357833.db2.gz IGYSGFYXFOAKNF-UHFFFAOYSA-N 2 1 274.452 3.555 20 0 CHADMP CCCCc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001231780000 1132357841 /nfs/dbraw/zinc/35/78/41/1132357841.db2.gz IGYSGFYXFOAKNF-UHFFFAOYSA-N 2 1 274.452 3.555 20 0 CHADMP CCCCc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC001231782560 1132361474 /nfs/dbraw/zinc/36/14/74/1132361474.db2.gz PYKDYZGLMFHCJO-LJQANCHMSA-N 2 1 286.463 3.557 20 0 CHADMP CCCCc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC001231782560 1132361481 /nfs/dbraw/zinc/36/14/81/1132361481.db2.gz PYKDYZGLMFHCJO-LJQANCHMSA-N 2 1 286.463 3.557 20 0 CHADMP CCCCc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC001231782560 1132361489 /nfs/dbraw/zinc/36/14/89/1132361489.db2.gz PYKDYZGLMFHCJO-LJQANCHMSA-N 2 1 286.463 3.557 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H]2C(C)(C)OC)CC1 ZINC001173114330 1132394297 /nfs/dbraw/zinc/39/42/97/1132394297.db2.gz GSPFETROWLBDGL-OFLPRAFFSA-N 2 1 296.499 3.529 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCC3(CCC3)C2)CC1 ZINC001173115143 1132396632 /nfs/dbraw/zinc/39/66/32/1132396632.db2.gz WZWVLTXPLCLUQJ-UHFFFAOYSA-N 2 1 264.457 3.515 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](C(F)F)C2)CC1 ZINC001173115096 1132396890 /nfs/dbraw/zinc/39/68/90/1132396890.db2.gz WNLCFCDFBZDRDP-WLYUNCDWSA-N 2 1 288.426 3.617 20 0 CHADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC001232014347 1132410289 /nfs/dbraw/zinc/41/02/89/1132410289.db2.gz OERAMVKYXFVLOT-SUMWQHHRSA-N 2 1 269.392 3.718 20 0 CHADMP c1csc([C@@H]2CCC[N@@H+]2Cc2cc3c[nH+]ccc3[nH]2)c1 ZINC001232014462 1132411038 /nfs/dbraw/zinc/41/10/38/1132411038.db2.gz PWPGLBHIDJBBBX-HNNXBMFYSA-N 2 1 283.400 3.962 20 0 CHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@](C)(F)CC2)c1 ZINC001232145183 1132428338 /nfs/dbraw/zinc/42/83/38/1132428338.db2.gz XFCCXNIKSXTMOM-KRWDZBQOSA-N 2 1 296.405 3.601 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)[C@H](C)C1 ZINC001232146678 1132428425 /nfs/dbraw/zinc/42/84/25/1132428425.db2.gz YAOFNUVMMRWDFN-ZIAGYGMSSA-N 2 1 278.415 3.508 20 0 CHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@@](C)(F)CC2)c1 ZINC001232145184 1132428555 /nfs/dbraw/zinc/42/85/55/1132428555.db2.gz XFCCXNIKSXTMOM-QGZVFWFLSA-N 2 1 296.405 3.601 20 0 CHADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@H]1CCCC3(CCCCC3)C1)C2 ZINC001173347850 1132473488 /nfs/dbraw/zinc/47/34/88/1132473488.db2.gz CHUHNYYIUQIXHP-ZIFCJYIRSA-N 2 1 290.495 3.763 20 0 CHADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCCC3(CCCCC3)C2)CC1 ZINC001173349668 1132474676 /nfs/dbraw/zinc/47/46/76/1132474676.db2.gz SIXUUBRHCWCCBP-IRXDYDNUSA-N 2 1 278.484 3.953 20 0 CHADMP C[N@@H+](Cc1cc2ccccc2s1)C1CCC([NH3+])CC1 ZINC000843055552 1132495068 /nfs/dbraw/zinc/49/50/68/1132495068.db2.gz GYAWHRHYYFRGGJ-UHFFFAOYSA-N 2 1 274.433 3.603 20 0 CHADMP C[N@H+](C1CC1)C1CC[NH+](Cc2cccc3c2CCCC3)CC1 ZINC001232638747 1132499447 /nfs/dbraw/zinc/49/94/47/1132499447.db2.gz MMVDYFBIEXFWKV-UHFFFAOYSA-N 2 1 298.474 3.624 20 0 CHADMP C[N@@H+](C1CC1)C1CC[NH+](Cc2cccc3c2CCCC3)CC1 ZINC001232638747 1132499448 /nfs/dbraw/zinc/49/94/48/1132499448.db2.gz MMVDYFBIEXFWKV-UHFFFAOYSA-N 2 1 298.474 3.624 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206632425 1132546886 /nfs/dbraw/zinc/54/68/86/1132546886.db2.gz KOXCCIPXSZJHGO-CQSZACIVSA-N 2 1 288.460 3.771 20 0 CHADMP CSc1ccc(Cl)cc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206647628 1132595071 /nfs/dbraw/zinc/59/50/71/1132595071.db2.gz ITFBIJCYWGLTPV-GFCCVEGCSA-N 2 1 298.883 3.623 20 0 CHADMP CSc1ccc(Cl)cc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206647628 1132595078 /nfs/dbraw/zinc/59/50/78/1132595078.db2.gz ITFBIJCYWGLTPV-GFCCVEGCSA-N 2 1 298.883 3.623 20 0 CHADMP c1ccc2c(Nc3cc[nH+]c(C4CC4)c3)cc[nH+]c2c1 ZINC001174037765 1132702813 /nfs/dbraw/zinc/70/28/13/1132702813.db2.gz BEVNFTVSFIEJDK-UHFFFAOYSA-N 2 1 261.328 3.673 20 0 CHADMP Cc1cccc2c1cc[nH+]c2NCC(C)(C)C[NH+](C)C ZINC001157942201 1132755894 /nfs/dbraw/zinc/75/58/94/1132755894.db2.gz RMIYUOHFTYRSOC-UHFFFAOYSA-N 2 1 271.408 3.543 20 0 CHADMP CC1(C)C[C@H](Nc2cccc(C3CC3)[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001158271574 1132768552 /nfs/dbraw/zinc/76/85/52/1132768552.db2.gz JWYMPYFFFQIANE-KBXCAEBGSA-N 2 1 287.451 3.915 20 0 CHADMP c1[nH+]c2ccccn2c1Nc1ccc(C2CC[NH2+]CC2)cc1 ZINC001159203968 1132815983 /nfs/dbraw/zinc/81/59/83/1132815983.db2.gz OBNXCAZPQUEHDW-UHFFFAOYSA-N 2 1 292.386 3.545 20 0 CHADMP Cc1cc([NH+]2CCCCC2)ccc1NC=CC1CC[NH2+]CC1 ZINC001159818800 1132911415 /nfs/dbraw/zinc/91/14/15/1132911415.db2.gz ZRKBDTZGDBDOQW-FMIVXFBMSA-N 2 1 299.462 3.911 20 0 CHADMP c1nc2ccc(Nc3ccc([C@H]4CCC[NH2+]4)cc3)cc2[nH]1 ZINC001160223915 1132948585 /nfs/dbraw/zinc/94/85/85/1132948585.db2.gz LTUBXVBBJLRYHM-OAHLLOKOSA-N 2 1 278.359 3.731 20 0 CHADMP c1[nH]c2ccc(Nc3ccc([C@H]4CCC[NH2+]4)cc3)cc2[nH+]1 ZINC001160223915 1132948591 /nfs/dbraw/zinc/94/85/91/1132948591.db2.gz LTUBXVBBJLRYHM-OAHLLOKOSA-N 2 1 278.359 3.731 20 0 CHADMP Cc1cc2ccccc2c(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[nH+]1 ZINC001160472443 1132971637 /nfs/dbraw/zinc/97/16/37/1132971637.db2.gz DNZPNYCUSDMYHX-OSYLJGHBSA-N 2 1 295.430 3.970 20 0 CHADMP c1ccc([C@@H]2C[C@H]2C[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC001206714968 1133264675 /nfs/dbraw/zinc/26/46/75/1133264675.db2.gz MPNQIHJGIRINOH-BJLQDIEVSA-N 2 1 298.474 3.787 20 0 CHADMP c1ccc([C@@H]2C[C@H]2C[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC001206714968 1133264681 /nfs/dbraw/zinc/26/46/81/1133264681.db2.gz MPNQIHJGIRINOH-BJLQDIEVSA-N 2 1 298.474 3.787 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CCC2CC=CC2)CC[N@@H+]1Cc1ccccc1 ZINC001203639672 1133346971 /nfs/dbraw/zinc/34/69/71/1133346971.db2.gz PFNKZSDPVBNCFN-FXAWDEMLSA-N 2 1 298.474 3.985 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CCC2CC=CC2)CC[N@H+]1Cc1ccccc1 ZINC001203639672 1133346976 /nfs/dbraw/zinc/34/69/76/1133346976.db2.gz PFNKZSDPVBNCFN-FXAWDEMLSA-N 2 1 298.474 3.985 20 0 CHADMP CC[NH+](CC)C1CC[NH+](Cc2c(C)cc(C)cc2C)CC1 ZINC001203745587 1133364128 /nfs/dbraw/zinc/36/41/28/1133364128.db2.gz YBIMCDFRTVENBI-UHFFFAOYSA-N 2 1 288.479 3.918 20 0 CHADMP CC[N@H+](Cc1c(C)cc(C)cc1C)C1CC[NH+](C)CC1 ZINC001203745213 1133364531 /nfs/dbraw/zinc/36/45/31/1133364531.db2.gz PPVJNLHUVZKSEX-UHFFFAOYSA-N 2 1 274.452 3.528 20 0 CHADMP CC[N@@H+](Cc1c(C)cc(C)cc1C)C1CC[NH+](C)CC1 ZINC001203745213 1133364537 /nfs/dbraw/zinc/36/45/37/1133364537.db2.gz PPVJNLHUVZKSEX-UHFFFAOYSA-N 2 1 274.452 3.528 20 0 CHADMP CC(C)[N@@H+](Cc1cccc(Cl)c1)C1CCN(C)CC1 ZINC001203803600 1133370623 /nfs/dbraw/zinc/37/06/23/1133370623.db2.gz SSFOPKMOTXSKIE-UHFFFAOYSA-N 2 1 280.843 3.645 20 0 CHADMP CC[N@H+](CCC[NH+](C)C)Cc1cc(Cl)cc(Cl)c1 ZINC001203812051 1133372770 /nfs/dbraw/zinc/37/27/70/1133372770.db2.gz LTDZLODQLGDRCW-UHFFFAOYSA-N 2 1 289.250 3.767 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc(Cl)cc(Cl)c1 ZINC001203812051 1133372775 /nfs/dbraw/zinc/37/27/75/1133372775.db2.gz LTDZLODQLGDRCW-UHFFFAOYSA-N 2 1 289.250 3.767 20 0 CHADMP Cc1[nH]c2ccccc2c1CN1CCC([N@@H+](C)C2CC2)CC1 ZINC001204292852 1133431421 /nfs/dbraw/zinc/43/14/21/1133431421.db2.gz PCISOFPSRLBBCX-UHFFFAOYSA-N 2 1 297.446 3.535 20 0 CHADMP Cc1[nH]c2ccccc2c1C[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001204292852 1133431424 /nfs/dbraw/zinc/43/14/24/1133431424.db2.gz PCISOFPSRLBBCX-UHFFFAOYSA-N 2 1 297.446 3.535 20 0 CHADMP Cc1[nH]c2ccccc2c1C[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001204292852 1133431427 /nfs/dbraw/zinc/43/14/27/1133431427.db2.gz PCISOFPSRLBBCX-UHFFFAOYSA-N 2 1 297.446 3.535 20 0 CHADMP Cc1ccc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)cc1C ZINC001204354832 1133440061 /nfs/dbraw/zinc/44/00/61/1133440061.db2.gz NAHDLNZVNMALPL-UHFFFAOYSA-N 2 1 288.479 3.856 20 0 CHADMP CCCC[N@@H+](CC)Cc1sc(C2CC[NH2+]CC2)nc1C ZINC001204611291 1133467031 /nfs/dbraw/zinc/46/70/31/1133467031.db2.gz KEGYCBFMBPKSJZ-UHFFFAOYSA-N 2 1 295.496 3.541 20 0 CHADMP C[N@@H+](CCCCC[NH3+])C(c1ccccc1)c1ccccc1 ZINC001204646021 1133471409 /nfs/dbraw/zinc/47/14/09/1133471409.db2.gz HJUQNYOGUJHLSX-UHFFFAOYSA-N 2 1 282.431 3.837 20 0 CHADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC001204924856 1133500720 /nfs/dbraw/zinc/50/07/20/1133500720.db2.gz BUKFTYLYMKMHHL-AWEZNQCLSA-N 2 1 299.462 3.779 20 0 CHADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CCCC[C@H]1C[NH3+] ZINC001204924856 1133500724 /nfs/dbraw/zinc/50/07/24/1133500724.db2.gz BUKFTYLYMKMHHL-AWEZNQCLSA-N 2 1 299.462 3.779 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+]1CCC[C@](C)([NH3+])C1 ZINC001204946567 1133505491 /nfs/dbraw/zinc/50/54/91/1133505491.db2.gz PSRKFQJVIZEWJG-INIZCTEOSA-N 2 1 274.433 3.523 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+]1CCC[C@](C)([NH3+])C1 ZINC001204946567 1133505497 /nfs/dbraw/zinc/50/54/97/1133505497.db2.gz PSRKFQJVIZEWJG-INIZCTEOSA-N 2 1 274.433 3.523 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@@H+](CC[C@H](C)CCCC(C)(C)OC)C1 ZINC001205001111 1133515464 /nfs/dbraw/zinc/51/54/64/1133515464.db2.gz OGYZXPMEZMYGLL-IAGOWNOFSA-N 2 1 298.515 3.539 20 0 CHADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC001205093882 1133528159 /nfs/dbraw/zinc/52/81/59/1133528159.db2.gz HHXZDTPJAWTLIE-KRWDZBQOSA-N 2 1 296.414 3.792 20 0 CHADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC001205095338 1133529143 /nfs/dbraw/zinc/52/91/43/1133529143.db2.gz WVOSEKBOWCYFKS-IBGZPJMESA-N 2 1 280.415 3.667 20 0 CHADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccccc2-c2ccccc2)CC1 ZINC001205109707 1133531054 /nfs/dbraw/zinc/53/10/54/1133531054.db2.gz JRZNIDYHXCGPNM-GOSISDBHSA-N 2 1 280.415 3.667 20 0 CHADMP Cc1c(C[N@H+]2CCC[C@@H]([NH3+])CC2)cccc1-c1ccccc1 ZINC001205123599 1133533220 /nfs/dbraw/zinc/53/32/20/1133533220.db2.gz CGYZCNPZUZBDEL-LJQANCHMSA-N 2 1 294.442 3.975 20 0 CHADMP Cc1cccc2c1CC[N@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001205164974 1133540688 /nfs/dbraw/zinc/54/06/88/1133540688.db2.gz YVSGKVAFDCICRY-UHFFFAOYSA-N 2 1 286.463 3.666 20 0 CHADMP Cc1cccc2c1CC[N@@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001205164974 1133540692 /nfs/dbraw/zinc/54/06/92/1133540692.db2.gz YVSGKVAFDCICRY-UHFFFAOYSA-N 2 1 286.463 3.666 20 0 CHADMP [NH3+]Cc1ccc(C[N@H+]2CCCC[C@@H]2c2ccccc2)cc1 ZINC001205170831 1133540927 /nfs/dbraw/zinc/54/09/27/1133540927.db2.gz FXPXYDJENNVQMM-LJQANCHMSA-N 2 1 280.415 3.873 20 0 CHADMP CC(C)c1ccc(CC[N@H+]2CCC[C@](C)([NH3+])CC2)cc1 ZINC001205257994 1133551373 /nfs/dbraw/zinc/55/13/73/1133551373.db2.gz ZUEVYIXZUPMYFL-SFHVURJKSA-N 2 1 274.452 3.556 20 0 CHADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205296202 1133555763 /nfs/dbraw/zinc/55/57/63/1133555763.db2.gz ITFUAHIOUPJRRA-ULQDDVLXSA-N 2 1 298.515 3.525 20 0 CHADMP C[C@H](C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1)c1cccc2ccccc21 ZINC001205296079 1133555897 /nfs/dbraw/zinc/55/58/97/1133555897.db2.gz GEVJZTLDRKQFBH-NUJGCVRESA-N 2 1 296.458 3.860 20 0 CHADMP CC1=CC[C@H](CC[N@H+]2CCC[C@](F)(C[NH3+])CC2)C1(C)C ZINC001205536770 1133585499 /nfs/dbraw/zinc/58/54/99/1133585499.db2.gz ATEIRVWRQCOSBO-NVXWUHKLSA-N 2 1 282.447 3.522 20 0 CHADMP C[N@@H+]1C[C@@H]2C[NH+](CC3CCC4(CCCCC4)CC3)C[C@@H]2C1 ZINC001205589662 1133592402 /nfs/dbraw/zinc/59/24/02/1133592402.db2.gz SONDWRPBRMKDLE-HDICACEKSA-N 2 1 290.495 3.621 20 0 CHADMP C[NH+]1C[C@@H]2C[N@@H+](CC3CCC4(CCCCC4)CC3)C[C@@H]2C1 ZINC001205589662 1133592406 /nfs/dbraw/zinc/59/24/06/1133592406.db2.gz SONDWRPBRMKDLE-HDICACEKSA-N 2 1 290.495 3.621 20 0 CHADMP C[NH+]1C[C@@H]2C[N@H+](CC3CCC4(CCCCC4)CC3)C[C@@H]2C1 ZINC001205589662 1133592411 /nfs/dbraw/zinc/59/24/11/1133592411.db2.gz SONDWRPBRMKDLE-HDICACEKSA-N 2 1 290.495 3.621 20 0 CHADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(C3CCC3)cc2)CC1 ZINC001205592816 1133592743 /nfs/dbraw/zinc/59/27/43/1133592743.db2.gz ZDWZLUICZLPDER-SFHVURJKSA-N 2 1 290.426 3.607 20 0 CHADMP Cc1ccc(Cl)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1F ZINC001205618927 1133596609 /nfs/dbraw/zinc/59/66/09/1133596609.db2.gz ZGRIFBCSPOAFGM-AAEUAGOBSA-N 2 1 298.833 3.594 20 0 CHADMP CCCCc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1 ZINC001205639193 1133597216 /nfs/dbraw/zinc/59/72/16/1133597216.db2.gz XIDWPNSMFXOZDZ-LPHOPBHVSA-N 2 1 288.479 3.836 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2cccc3sccc32)CC[C@H]1C[NH3+] ZINC001205651198 1133598539 /nfs/dbraw/zinc/59/85/39/1133598539.db2.gz AZXXCPDUVBABEN-KGLIPLIRSA-N 2 1 288.460 3.708 20 0 CHADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001205852597 1133621944 /nfs/dbraw/zinc/62/19/44/1133621944.db2.gz GYIVQUPFTOIWJG-RDTXWAMCSA-N 2 1 272.436 3.513 20 0 CHADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001205852597 1133621947 /nfs/dbraw/zinc/62/19/47/1133621947.db2.gz GYIVQUPFTOIWJG-RDTXWAMCSA-N 2 1 272.436 3.513 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)s1 ZINC001205901013 1133628210 /nfs/dbraw/zinc/62/82/10/1133628210.db2.gz AMGLBUKCEKCVGL-ZIAGYGMSSA-N 2 1 280.481 3.650 20 0 CHADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc(-c2ccccc2)c1 ZINC001205915576 1133629868 /nfs/dbraw/zinc/62/98/68/1133629868.db2.gz PSEGBBYBFUEEBS-UZLBHIALSA-N 2 1 294.442 3.913 20 0 CHADMP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc(C)c1Cl ZINC001205913429 1133630205 /nfs/dbraw/zinc/63/02/05/1133630205.db2.gz IGKGWOQKOSFHBC-DZGCQCFKSA-N 2 1 280.843 3.516 20 0 CHADMP CCC(C)(C)c1ccc(C[N@@H+]2CCCC[C@H]([NH3+])C2)cc1 ZINC001205932039 1133633162 /nfs/dbraw/zinc/63/31/62/1133633162.db2.gz NZZMWUILBJSSSU-KRWDZBQOSA-N 2 1 274.452 3.687 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CCCC[C@H]([NH3+])C2)cc1 ZINC001205932039 1133633165 /nfs/dbraw/zinc/63/31/65/1133633165.db2.gz NZZMWUILBJSSSU-KRWDZBQOSA-N 2 1 274.452 3.687 20 0 CHADMP CCCC[C@H](CC)C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205981754 1133637975 /nfs/dbraw/zinc/63/79/75/1133637975.db2.gz GSONHJHPGZHXNQ-OWCLPIDISA-N 2 1 254.462 3.510 20 0 CHADMP C[C@H]1C[N@@H+](CCCC2CCCCC2)CCC[C@@H]1C[NH3+] ZINC001205981921 1133638389 /nfs/dbraw/zinc/63/83/89/1133638389.db2.gz JGGBXBSEMNHAHF-DOTOQJQBSA-N 2 1 266.473 3.654 20 0 CHADMP CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC001206011509 1133641366 /nfs/dbraw/zinc/64/13/66/1133641366.db2.gz CZTDFLNYJSKZSA-APWZRJJASA-N 2 1 288.479 3.692 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(F)cc1Cl ZINC001206027281 1133644095 /nfs/dbraw/zinc/64/40/95/1133644095.db2.gz VRVMXNSBHWCDBK-STQMWFEESA-N 2 1 298.833 3.594 20 0 CHADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCCC2CCCCC2)CC1 ZINC001206296063 1133685441 /nfs/dbraw/zinc/68/54/41/1133685441.db2.gz PBCNKQXJKAKHCW-QGZVFWFLSA-N 2 1 266.473 3.798 20 0 CHADMP CCCC[C@@H](CC)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206292708 1133684706 /nfs/dbraw/zinc/68/47/06/1133684706.db2.gz DJDUCOJTYVYSPT-CVEARBPZSA-N 2 1 254.462 3.654 20 0 CHADMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1 ZINC001206305467 1133686885 /nfs/dbraw/zinc/68/68/85/1133686885.db2.gz ZYSVXXFISFLHLB-IBGZPJMESA-N 2 1 288.479 3.935 20 0 CHADMP CCn1ccc2ccc(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)cc21 ZINC001206305222 1133686920 /nfs/dbraw/zinc/68/69/20/1133686920.db2.gz WGYKUGIYHRABAT-LJQANCHMSA-N 2 1 299.462 3.612 20 0 CHADMP CC(C)Cc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1 ZINC001206317856 1133689258 /nfs/dbraw/zinc/68/92/58/1133689258.db2.gz KBDQQLXBKIXBKB-LJQANCHMSA-N 2 1 288.479 3.836 20 0 CHADMP Cc1c(Cl)ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1F ZINC001206326451 1133690002 /nfs/dbraw/zinc/69/00/02/1133690002.db2.gz NPHFTXBUVQSKCZ-MRXNPFEDSA-N 2 1 298.833 3.738 20 0 CHADMP CCCc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)s1 ZINC001206547115 1133715138 /nfs/dbraw/zinc/71/51/38/1133715138.db2.gz BUSGTEJNNRNXQL-INIZCTEOSA-N 2 1 280.481 3.652 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(C)c1 ZINC001206541401 1133715565 /nfs/dbraw/zinc/71/55/65/1133715565.db2.gz HCWZVFCQTBZEOG-SFHVURJKSA-N 2 1 274.452 3.563 20 0 CHADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC001206540772 1133715590 /nfs/dbraw/zinc/71/55/90/1133715590.db2.gz CURKWLIXDADOED-LJQANCHMSA-N 2 1 282.431 3.791 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(C)c1 ZINC001206541398 1133716093 /nfs/dbraw/zinc/71/60/93/1133716093.db2.gz HCWZVFCQTBZEOG-GOSISDBHSA-N 2 1 274.452 3.563 20 0 CHADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CCCc2cccc(Cl)c2)C1 ZINC001206542006 1133716192 /nfs/dbraw/zinc/71/61/92/1133716192.db2.gz PBFGTYFDQUVICS-KRWDZBQOSA-N 2 1 294.870 3.724 20 0 CHADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CCCc2ccccc2Cl)C1 ZINC001206542310 1133716245 /nfs/dbraw/zinc/71/62/45/1133716245.db2.gz XWSWIINMEJIRRH-KRWDZBQOSA-N 2 1 294.870 3.724 20 0 CHADMP CC(C)[N@@H+](CCCC1CCCC1)[C@H]1CCC[NH2+]CC1 ZINC001206583778 1133722320 /nfs/dbraw/zinc/72/23/20/1133722320.db2.gz WKIGSISZVWRQBB-KRWDZBQOSA-N 2 1 266.473 3.809 20 0 CHADMP CC(C)[N@@H+](Cc1ccc(C(C)(C)C)[nH]1)[C@H]1CCC[NH2+]CC1 ZINC001206583730 1133722613 /nfs/dbraw/zinc/72/26/13/1133722613.db2.gz VVPCBINARWBUJT-INIZCTEOSA-N 2 1 291.483 3.665 20 0 CHADMP CC(C)[N@@H+](Cc1coc2ccccc12)[C@@H]1CCC[NH2+]CC1 ZINC001206588566 1133722858 /nfs/dbraw/zinc/72/28/58/1133722858.db2.gz BPUFOCMJXQELSW-MRXNPFEDSA-N 2 1 286.419 3.785 20 0 CHADMP Cc1cc(C)c(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc1C ZINC001206591626 1133724373 /nfs/dbraw/zinc/72/43/73/1133724373.db2.gz UGUNNUQKGUJEHP-LJQANCHMSA-N 2 1 288.479 3.964 20 0 CHADMP CCCCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001206714401 1133734454 /nfs/dbraw/zinc/73/44/54/1133734454.db2.gz FWWSKGBKIIJGDQ-CVEARBPZSA-N 2 1 266.473 3.952 20 0 CHADMP CCCCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001206714401 1133734457 /nfs/dbraw/zinc/73/44/57/1133734457.db2.gz FWWSKGBKIIJGDQ-CVEARBPZSA-N 2 1 266.473 3.952 20 0 CHADMP Cc1cc(N(C)C)[nH+]cc1Nc1cc[nH+]c(C(C)(C)C)c1 ZINC001206723768 1133735517 /nfs/dbraw/zinc/73/55/17/1133735517.db2.gz RCLGOKVWOIVTDQ-UHFFFAOYSA-N 2 1 284.407 3.892 20 0 CHADMP CCCCc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1 ZINC001206769380 1133745850 /nfs/dbraw/zinc/74/58/50/1133745850.db2.gz OXNNFGIHVSDIRQ-MAUKXSAKSA-N 2 1 274.452 3.588 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC001206811215 1133751682 /nfs/dbraw/zinc/75/16/82/1133751682.db2.gz RUNLZVVCGYYFSE-HOCLYGCPSA-N 2 1 272.436 3.513 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CC2(CCC2)C1 ZINC001207101037 1133767498 /nfs/dbraw/zinc/76/74/98/1133767498.db2.gz FKSIGUULBUKSJF-WMZOPIPTSA-N 2 1 298.474 3.677 20 0 CHADMP Cc1cccc([C@@H]2CCC[N@@H+]2CC(C)(C)C[NH+](C)C)c1 ZINC001207276008 1133786043 /nfs/dbraw/zinc/78/60/43/1133786043.db2.gz SAGWDKFGTINTJQ-KRWDZBQOSA-N 2 1 274.452 3.720 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@@H]1c1ccccc1F ZINC001207286499 1133788525 /nfs/dbraw/zinc/78/85/25/1133788525.db2.gz VFDZCKGXYAZZKZ-MRXNPFEDSA-N 2 1 278.415 3.550 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@H]1c1ccccc1F ZINC001207286499 1133788530 /nfs/dbraw/zinc/78/85/30/1133788530.db2.gz VFDZCKGXYAZZKZ-MRXNPFEDSA-N 2 1 278.415 3.550 20 0 CHADMP C[NH+]1CCC(C[N@H+]2CCCC[C@H]2c2ccccc2F)CC1 ZINC001207398247 1133797327 /nfs/dbraw/zinc/79/73/27/1133797327.db2.gz BTBYAPLGDRBSSN-SFHVURJKSA-N 2 1 290.426 3.695 20 0 CHADMP CC(C)C[N@@H+](CCC1CC[NH+](C)CC1)Cc1ccccc1 ZINC001207480254 1133806729 /nfs/dbraw/zinc/80/67/29/1133806729.db2.gz YKOYLHMAEIRMDI-UHFFFAOYSA-N 2 1 288.479 3.877 20 0 CHADMP C[NH+]1CCC(CC[N@H+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC001207484785 1133806878 /nfs/dbraw/zinc/80/68/78/1133806878.db2.gz NKTPIVRRDIJOQX-GOSISDBHSA-N 2 1 290.426 3.695 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207631418 1133833547 /nfs/dbraw/zinc/83/35/47/1133833547.db2.gz HBEZMLVGCJQOTL-XCDZQEORSA-N 2 1 288.479 3.537 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207631418 1133833552 /nfs/dbraw/zinc/83/35/52/1133833552.db2.gz HBEZMLVGCJQOTL-XCDZQEORSA-N 2 1 288.479 3.537 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207631418 1133833556 /nfs/dbraw/zinc/83/35/56/1133833556.db2.gz HBEZMLVGCJQOTL-XCDZQEORSA-N 2 1 288.479 3.537 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207631413 1133834206 /nfs/dbraw/zinc/83/42/06/1133834206.db2.gz HBEZMLVGCJQOTL-BRIYLRKRSA-N 2 1 288.479 3.537 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207631413 1133834210 /nfs/dbraw/zinc/83/42/10/1133834210.db2.gz HBEZMLVGCJQOTL-BRIYLRKRSA-N 2 1 288.479 3.537 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207631413 1133834217 /nfs/dbraw/zinc/83/42/17/1133834217.db2.gz HBEZMLVGCJQOTL-BRIYLRKRSA-N 2 1 288.479 3.537 20 0 CHADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@H](c3ccccc3)C2)CC1 ZINC001208107683 1133877239 /nfs/dbraw/zinc/87/72/39/1133877239.db2.gz YIEKKRNLDZWICM-SFHVURJKSA-N 2 1 286.463 3.598 20 0 CHADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@H]2c2ccccc2F)CC1 ZINC001208114409 1133878578 /nfs/dbraw/zinc/87/85/78/1133878578.db2.gz VHEXJWYSIRGSRW-QGZVFWFLSA-N 2 1 290.426 3.695 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)CC[C@@H](C)c1ccc(C)o1 ZINC001208160231 1133890263 /nfs/dbraw/zinc/89/02/63/1133890263.db2.gz GJCVSUDGNMPBMI-OAHLLOKOSA-N 2 1 280.456 3.745 20 0 CHADMP CCC[N@@H+](CC1(C[NH+](C)C)CCCC1)[C@H](C)CC ZINC001208182486 1133900741 /nfs/dbraw/zinc/90/07/41/1133900741.db2.gz XAFDWNYSYYQYHC-OAHLLOKOSA-N 2 1 254.462 3.619 20 0 CHADMP Cc1cccc(CC[N@H+](C)CC2(C[NH+](C)C)CCCC2)c1 ZINC001208185894 1133902468 /nfs/dbraw/zinc/90/24/68/1133902468.db2.gz KGYUMCCEOYZNQR-UHFFFAOYSA-N 2 1 288.479 3.591 20 0 CHADMP CC[N@H+](Cc1cccc(F)c1)CC1(C[NH+](C)C)CCCC1 ZINC001208187371 1133902794 /nfs/dbraw/zinc/90/27/94/1133902794.db2.gz JPZBMOGBCHZQHR-UHFFFAOYSA-N 2 1 292.442 3.770 20 0 CHADMP CC[N@@H+](Cc1cccc(F)c1)CC1(C[NH+](C)C)CCCC1 ZINC001208187371 1133902797 /nfs/dbraw/zinc/90/27/97/1133902797.db2.gz JPZBMOGBCHZQHR-UHFFFAOYSA-N 2 1 292.442 3.770 20 0 CHADMP C[NH+](C)CC1(C[N@H+]2CCC[C@H]2c2ccccc2)CCCC1 ZINC001208190997 1133903473 /nfs/dbraw/zinc/90/34/73/1133903473.db2.gz JKYZQGQICVEGQK-SFHVURJKSA-N 2 1 286.463 3.946 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001208194343 1133904440 /nfs/dbraw/zinc/90/44/40/1133904440.db2.gz OCFJKVYAKZPULT-PLNGDYQASA-N 2 1 278.484 3.931 20 0 CHADMP C[N@@H+]1CCC[C@H](C[NH+](Cc2ccccc2)C(C)(C)C)C1 ZINC001208604528 1133919659 /nfs/dbraw/zinc/91/96/59/1133919659.db2.gz QAISJIKQZMHUKP-KRWDZBQOSA-N 2 1 274.452 3.629 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH+](Cc2ccccc2)C(C)(C)C)C1 ZINC001208604528 1133919663 /nfs/dbraw/zinc/91/96/63/1133919663.db2.gz QAISJIKQZMHUKP-KRWDZBQOSA-N 2 1 274.452 3.629 20 0 CHADMP C[NH+]1CCC[C@H](C[N@H+](Cc2ccccc2)C(C)(C)C)C1 ZINC001208604528 1133919667 /nfs/dbraw/zinc/91/96/67/1133919667.db2.gz QAISJIKQZMHUKP-KRWDZBQOSA-N 2 1 274.452 3.629 20 0 CHADMP C[NH+]1CCC[C@H](C[N@@H+](Cc2ccccc2)C(C)(C)C)C1 ZINC001208604528 1133919672 /nfs/dbraw/zinc/91/96/72/1133919672.db2.gz QAISJIKQZMHUKP-KRWDZBQOSA-N 2 1 274.452 3.629 20 0 CHADMP CC[NH+]1CCC(C[N@@H+](C)C(C)(C)Cc2ccccc2)CC1 ZINC001208601214 1133919883 /nfs/dbraw/zinc/91/98/83/1133919883.db2.gz KFJNXUGJTZJTBT-UHFFFAOYSA-N 2 1 288.479 3.671 20 0 CHADMP CN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2c2ccccc2F)C1 ZINC001208608229 1133919939 /nfs/dbraw/zinc/91/99/39/1133919939.db2.gz PBMNXEUAPVLCCT-CRAIPNDOSA-N 2 1 290.426 3.695 20 0 CHADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2c2ccccc2F)C1 ZINC001208608229 1133919954 /nfs/dbraw/zinc/91/99/54/1133919954.db2.gz PBMNXEUAPVLCCT-CRAIPNDOSA-N 2 1 290.426 3.695 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2c2ccccc2F)C1 ZINC001208608229 1133919960 /nfs/dbraw/zinc/91/99/60/1133919960.db2.gz PBMNXEUAPVLCCT-CRAIPNDOSA-N 2 1 290.426 3.695 20 0 CHADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2c2ccccc2F)C1 ZINC001208608229 1133919962 /nfs/dbraw/zinc/91/99/62/1133919962.db2.gz PBMNXEUAPVLCCT-CRAIPNDOSA-N 2 1 290.426 3.695 20 0 CHADMP C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2c2ccccc2F)C1 ZINC001208608229 1133919967 /nfs/dbraw/zinc/91/99/67/1133919967.db2.gz PBMNXEUAPVLCCT-CRAIPNDOSA-N 2 1 290.426 3.695 20 0 CHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CCC4CC4)CC[C@@H]3C2)cc1 ZINC001208687053 1133927096 /nfs/dbraw/zinc/92/70/96/1133927096.db2.gz ZBDSOBUSJDFHBS-WOJBJXKFSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CCC4CC4)CC[C@@H]3C2)cc1 ZINC001208687053 1133927100 /nfs/dbraw/zinc/92/71/00/1133927100.db2.gz ZBDSOBUSJDFHBS-WOJBJXKFSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CCC4CC4)CC[C@@H]3C2)cc1 ZINC001208687053 1133927105 /nfs/dbraw/zinc/92/71/05/1133927105.db2.gz ZBDSOBUSJDFHBS-WOJBJXKFSA-N 2 1 298.474 3.631 20 0 CHADMP CC(C)[NH+]1CCC(C[N@@H+](C)CCC2CCCC2)CC1 ZINC001208695168 1133928605 /nfs/dbraw/zinc/92/86/05/1133928605.db2.gz IEDQRPCUQPPQAW-UHFFFAOYSA-N 2 1 266.473 3.619 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC001208694511 1133928749 /nfs/dbraw/zinc/92/87/49/1133928749.db2.gz RCXQCCOOIGHZCV-ROUUACIJSA-N 2 1 278.484 3.906 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CCC1CCCC1 ZINC001208694511 1133928750 /nfs/dbraw/zinc/92/87/50/1133928750.db2.gz RCXQCCOOIGHZCV-ROUUACIJSA-N 2 1 278.484 3.906 20 0 CHADMP C[N@H+]1CC[C@]2(CC[NH+](CC3(c4ccccc4)CCCC3)C2)C1 ZINC001208776997 1133944658 /nfs/dbraw/zinc/94/46/58/1133944658.db2.gz FIMZRBZPFWCIGT-IBGZPJMESA-N 2 1 298.474 3.526 20 0 CHADMP C[NH+]1CC[C@]2(CC[N@H+](CC3(c4ccccc4)CCCC3)C2)C1 ZINC001208776997 1133944661 /nfs/dbraw/zinc/94/46/61/1133944661.db2.gz FIMZRBZPFWCIGT-IBGZPJMESA-N 2 1 298.474 3.526 20 0 CHADMP C[NH+]1CC[C@]2(CC[N@@H+](CC3(c4ccccc4)CCCC3)C2)C1 ZINC001208776997 1133944667 /nfs/dbraw/zinc/94/46/67/1133944667.db2.gz FIMZRBZPFWCIGT-IBGZPJMESA-N 2 1 298.474 3.526 20 0 CHADMP C[C@@H](C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)C(F)(F)F ZINC001208893594 1133958842 /nfs/dbraw/zinc/95/88/42/1133958842.db2.gz LDBNBPUVLKPUHW-UONOGXRCSA-N 2 1 292.389 3.525 20 0 CHADMP C[C@@H](C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)C(F)(F)F ZINC001208893594 1133958843 /nfs/dbraw/zinc/95/88/43/1133958843.db2.gz LDBNBPUVLKPUHW-UONOGXRCSA-N 2 1 292.389 3.525 20 0 CHADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+](CC3CC3)C3CC3)C2)cc1 ZINC001208942379 1133965815 /nfs/dbraw/zinc/96/58/15/1133965815.db2.gz IBVQKJUKFCEIEH-IBGZPJMESA-N 2 1 298.474 3.773 20 0 CHADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+](CC3CC3)C3CC3)C2)cc1 ZINC001208942379 1133965821 /nfs/dbraw/zinc/96/58/21/1133965821.db2.gz IBVQKJUKFCEIEH-IBGZPJMESA-N 2 1 298.474 3.773 20 0 CHADMP c1ccc(C[N@H+]2CCC[C@H](C[NH+](CC3CC3)C3CC3)C2)cc1 ZINC001208942379 1133965825 /nfs/dbraw/zinc/96/58/25/1133965825.db2.gz IBVQKJUKFCEIEH-IBGZPJMESA-N 2 1 298.474 3.773 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+](CC3CC3)C3CC3)C2)cc1 ZINC001208942379 1133965830 /nfs/dbraw/zinc/96/58/30/1133965830.db2.gz IBVQKJUKFCEIEH-IBGZPJMESA-N 2 1 298.474 3.773 20 0 CHADMP CC[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208936177 1133966334 /nfs/dbraw/zinc/96/63/34/1133966334.db2.gz NOJLCKHAPQSMAQ-SJLPKXTDSA-N 2 1 274.452 3.629 20 0 CHADMP CC[C@@H](C)[N@H+](C)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208936177 1133966327 /nfs/dbraw/zinc/96/63/27/1133966327.db2.gz NOJLCKHAPQSMAQ-SJLPKXTDSA-N 2 1 274.452 3.629 20 0 CHADMP CC[C@@H](C)[NH+](C)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208936177 1133966339 /nfs/dbraw/zinc/96/63/39/1133966339.db2.gz NOJLCKHAPQSMAQ-SJLPKXTDSA-N 2 1 274.452 3.629 20 0 CHADMP CC[C@@H](C)[NH+](C)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208936177 1133966345 /nfs/dbraw/zinc/96/63/45/1133966345.db2.gz NOJLCKHAPQSMAQ-SJLPKXTDSA-N 2 1 274.452 3.629 20 0 CHADMP C[N@@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)CC(C)(C)C ZINC001208931676 1133966816 /nfs/dbraw/zinc/96/68/16/1133966816.db2.gz CGAMYQHZJCBSBR-GOSISDBHSA-N 2 1 288.479 3.877 20 0 CHADMP C[NH+](C[C@H]1CCC[N@H+](Cc2ccccc2)C1)CC(C)(C)C ZINC001208931676 1133966821 /nfs/dbraw/zinc/96/68/21/1133966821.db2.gz CGAMYQHZJCBSBR-GOSISDBHSA-N 2 1 288.479 3.877 20 0 CHADMP C[NH+](C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)CC(C)(C)C ZINC001208931676 1133966825 /nfs/dbraw/zinc/96/68/25/1133966825.db2.gz CGAMYQHZJCBSBR-GOSISDBHSA-N 2 1 288.479 3.877 20 0 CHADMP c1[nH]c2ccc(Nc3c[nH+]ccc3N3CCCCC3)cc2[nH+]1 ZINC001209847910 1134082545 /nfs/dbraw/zinc/08/25/45/1134082545.db2.gz JMJYOOZPWUFLKA-UHFFFAOYSA-N 2 1 293.374 3.692 20 0 CHADMP CC[NH+](CC)c1ccc(Nc2ccc(C[NH2+]C)cc2)cc1 ZINC001211129950 1134377141 /nfs/dbraw/zinc/37/71/41/1134377141.db2.gz KGGXZNVIBPKEJF-UHFFFAOYSA-N 2 1 283.419 3.996 20 0 CHADMP CN(C)Cc1cccc(Nc2cccc3ncn(C)c32)c1F ZINC001216231567 1134815859 /nfs/dbraw/zinc/81/58/59/1134815859.db2.gz FBUSQIWFHGFUNP-UHFFFAOYSA-N 2 1 298.365 3.518 20 0 CHADMP CC[C@@H]1CCC[C@@H](C[NH2+]C(C)(C)C[NH+]2CCCC2)C1 ZINC000308627819 1134974396 /nfs/dbraw/zinc/97/43/96/1134974396.db2.gz JQNZZLVENGMTAC-HZPDHXFCSA-N 2 1 266.473 3.667 20 0 CHADMP CC1(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000310014602 1135118542 /nfs/dbraw/zinc/11/85/42/1135118542.db2.gz MVJALQXJLXDERS-GOSISDBHSA-N 2 1 286.463 3.678 20 0 CHADMP CC(C)C1CCC(C[NH2+]CC[N@H+](C)C2CCCC2)CC1 ZINC000312279100 1135132520 /nfs/dbraw/zinc/13/25/20/1135132520.db2.gz NTLHEHXZNGUZLZ-UHFFFAOYSA-N 2 1 280.500 3.913 20 0 CHADMP CC(C)C1CCC(C[NH2+]CC[N@@H+](C)C2CCCC2)CC1 ZINC000312279100 1135132522 /nfs/dbraw/zinc/13/25/22/1135132522.db2.gz NTLHEHXZNGUZLZ-UHFFFAOYSA-N 2 1 280.500 3.913 20 0 CHADMP C1=CC[C@H](C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CC1 ZINC001222154835 1135200357 /nfs/dbraw/zinc/20/03/57/1135200357.db2.gz RMXAJEUTZMHXIJ-ROUUACIJSA-N 2 1 276.468 3.589 20 0 CHADMP CCc1ccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)o1 ZINC001222162085 1135203105 /nfs/dbraw/zinc/20/31/05/1135203105.db2.gz XLODKRFZMIDOFO-SFHVURJKSA-N 2 1 290.451 3.588 20 0 CHADMP c1ccc(C2(C[N@H+]3CCC[C@]34CCC[NH2+]C4)CCCC2)cc1 ZINC001222231373 1135210888 /nfs/dbraw/zinc/21/08/88/1135210888.db2.gz LKHZQDFPKWZKER-FQEVSTJZSA-N 2 1 298.474 3.716 20 0 CHADMP c1ccc2c(c1)cccc2C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222237780 1135212652 /nfs/dbraw/zinc/21/26/52/1135212652.db2.gz SVWJMCURYIBAMK-IBGZPJMESA-N 2 1 280.415 3.558 20 0 CHADMP CC(C)Cc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222247334 1135214226 /nfs/dbraw/zinc/21/42/26/1135214226.db2.gz DBXMJPKBPCOSNM-IBGZPJMESA-N 2 1 286.463 3.603 20 0 CHADMP CC(C)Cc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222247334 1135214228 /nfs/dbraw/zinc/21/42/28/1135214228.db2.gz DBXMJPKBPCOSNM-IBGZPJMESA-N 2 1 286.463 3.603 20 0 CHADMP Clc1ccsc1C[N@@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222308057 1135221448 /nfs/dbraw/zinc/22/14/48/1135221448.db2.gz GREYWRCAOJIFMD-AWEZNQCLSA-N 2 1 284.856 3.510 20 0 CHADMP Clc1ccsc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222308057 1135221453 /nfs/dbraw/zinc/22/14/53/1135221453.db2.gz GREYWRCAOJIFMD-AWEZNQCLSA-N 2 1 284.856 3.510 20 0 CHADMP Fc1cccc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c1Cl ZINC001222314038 1135224313 /nfs/dbraw/zinc/22/43/13/1135224313.db2.gz ARELRZJOVTZYKV-INIZCTEOSA-N 2 1 296.817 3.587 20 0 CHADMP Fc1cccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1Cl ZINC001222314038 1135224316 /nfs/dbraw/zinc/22/43/16/1135224316.db2.gz ARELRZJOVTZYKV-INIZCTEOSA-N 2 1 296.817 3.587 20 0 CHADMP CCCc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc1 ZINC001222315287 1135224661 /nfs/dbraw/zinc/22/46/61/1135224661.db2.gz MMIHIDLQXNZQCG-IBGZPJMESA-N 2 1 286.463 3.747 20 0 CHADMP Cc1cccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1Cl ZINC001222320482 1135225222 /nfs/dbraw/zinc/22/52/22/1135225222.db2.gz ICXNWMBQOJYBDW-QGZVFWFLSA-N 2 1 292.854 3.757 20 0 CHADMP CCCC[C@H](CC)C[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385630 1135233763 /nfs/dbraw/zinc/23/37/63/1135233763.db2.gz RZOGRUQESDXMMR-IRXDYDNUSA-N 2 1 266.473 3.811 20 0 CHADMP Cc1cc(C)c(C[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c(C)c1 ZINC001222385791 1135235159 /nfs/dbraw/zinc/23/51/59/1135235159.db2.gz WYQVMPZXBFDIEF-LJQANCHMSA-N 2 1 286.463 3.720 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c(C)c1 ZINC001222385791 1135235161 /nfs/dbraw/zinc/23/51/61/1135235161.db2.gz WYQVMPZXBFDIEF-LJQANCHMSA-N 2 1 286.463 3.720 20 0 CHADMP c1c(C[N@H+]2CCCC3(CCCC3)C2)sc2c1C[NH2+]CC2 ZINC001222401547 1135236743 /nfs/dbraw/zinc/23/67/43/1135236743.db2.gz VMQJUZLJCBSJLX-UHFFFAOYSA-N 2 1 290.476 3.550 20 0 CHADMP c1ccc([C@@H]2C[N@H+](CCCC3CCCC3)CC23C[NH2+]C3)cc1 ZINC001222596534 1135253788 /nfs/dbraw/zinc/25/37/88/1135253788.db2.gz YQXKXSJFIOWSAU-IBGZPJMESA-N 2 1 298.474 3.646 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c2ccccc12 ZINC001222623180 1135256169 /nfs/dbraw/zinc/25/61/69/1135256169.db2.gz DRROADFRRUNFTI-CALCHBBNSA-N 2 1 294.442 3.580 20 0 CHADMP c1sc2ccccc2c1C[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001226786031 1135741689 /nfs/dbraw/zinc/74/16/89/1135741689.db2.gz UUBZVQWXOWNTDR-UHFFFAOYSA-N 2 1 286.444 3.619 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000313428953 260292981 /nfs/dbraw/zinc/29/29/81/260292981.db2.gz OSANKKKQJWFYAB-ZACQAIPSSA-N 2 1 264.457 3.562 20 0 CHADMP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCC)C1 ZINC000574601030 335032647 /nfs/dbraw/zinc/03/26/47/335032647.db2.gz QIKFRSWDGWUANX-JYJNAYRXSA-N 2 1 254.462 3.523 20 0 CHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccs1 ZINC000216004693 533381861 /nfs/dbraw/zinc/38/18/61/533381861.db2.gz WLHANWMXSINUEL-UONOGXRCSA-N 2 1 266.454 3.663 20 0 CHADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cc2ccccc2s1 ZINC000347111857 226030128 /nfs/dbraw/zinc/03/01/28/226030128.db2.gz QCHQNAZIWZJYAT-SWLSCSKDSA-N 2 1 274.433 3.603 20 0 CHADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cc2ccccc2s1 ZINC000347111857 226030132 /nfs/dbraw/zinc/03/01/32/226030132.db2.gz QCHQNAZIWZJYAT-SWLSCSKDSA-N 2 1 274.433 3.603 20 0 CHADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC000347088447 226044073 /nfs/dbraw/zinc/04/40/73/226044073.db2.gz FCHCJFXSBCXYMP-KRWDZBQOSA-N 2 1 280.415 3.524 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC000347589675 226211518 /nfs/dbraw/zinc/21/15/18/226211518.db2.gz YNFMNMHIWMYUTP-GOEBONIOSA-N 2 1 277.456 3.728 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC000347589675 226211522 /nfs/dbraw/zinc/21/15/22/226211522.db2.gz YNFMNMHIWMYUTP-GOEBONIOSA-N 2 1 277.456 3.728 20 0 CHADMP c1cc2cc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)ccc2o1 ZINC000347855392 226385347 /nfs/dbraw/zinc/38/53/47/226385347.db2.gz MYJXLACSGHVSOI-GOSISDBHSA-N 2 1 298.430 3.883 20 0 CHADMP c1cc2cc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)ccc2o1 ZINC000347855392 226385348 /nfs/dbraw/zinc/38/53/48/226385348.db2.gz MYJXLACSGHVSOI-GOSISDBHSA-N 2 1 298.430 3.883 20 0 CHADMP C[C@H]1CCCC[C@@H]1CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352778578 227213747 /nfs/dbraw/zinc/21/37/47/227213747.db2.gz VTEFCFDEMNYVMY-UONOGXRCSA-N 2 1 295.496 3.511 20 0 CHADMP Cc1ccoc1CN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000352813522 227250761 /nfs/dbraw/zinc/25/07/61/227250761.db2.gz DEQSOOWOJTTXDN-IAGOWNOFSA-N 2 1 290.451 3.674 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1c[nH+]ccc1N ZINC000332575333 228163772 /nfs/dbraw/zinc/16/37/72/228163772.db2.gz CSQVWLMXCZZSRG-GBJTYRQASA-N 2 1 273.424 3.504 20 0 CHADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000075760858 260166192 /nfs/dbraw/zinc/16/61/92/260166192.db2.gz ADCOONSGBDMIPC-UHFFFAOYSA-N 2 1 280.843 3.550 20 0 CHADMP C[C@@H](Cc1ccoc1)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000449083784 260207295 /nfs/dbraw/zinc/20/72/95/260207295.db2.gz VIHSJIQBIBOBKJ-BBWFWOEESA-N 2 1 292.467 3.558 20 0 CHADMP C([NH2+][C@H]1CCCC12CCCCC2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000313046647 260241026 /nfs/dbraw/zinc/24/10/26/260241026.db2.gz VAAHGDFEDLDYRA-WBVHZDCISA-N 2 1 276.468 3.563 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)CCc2ccc(Cl)cc2)CC1 ZINC000445205985 260251347 /nfs/dbraw/zinc/25/13/47/260251347.db2.gz GHFWNWXKGKADEE-UHFFFAOYSA-N 2 1 294.870 3.687 20 0 CHADMP CC[N@H+](Cc1ccc2ccccc2c1)CC1CC[NH2+]CC1 ZINC000094011201 260342893 /nfs/dbraw/zinc/34/28/93/260342893.db2.gz SPFGADXZSHYSTC-UHFFFAOYSA-N 2 1 282.431 3.661 20 0 CHADMP C1CCC2(C1)CCC([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000129451394 260387164 /nfs/dbraw/zinc/38/71/64/260387164.db2.gz HEUUHRQQBMPGMF-DLBZAZTESA-N 2 1 276.468 3.706 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000130221862 260393869 /nfs/dbraw/zinc/39/38/69/260393869.db2.gz NDKLBGVATGHATI-VBNZEHGJSA-N 2 1 278.827 3.617 20 0 CHADMP CC(C)[NH2+]C1CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000151652796 260983147 /nfs/dbraw/zinc/98/31/47/260983147.db2.gz SGYYRAKNLGXPQI-SFHVURJKSA-N 2 1 290.426 3.666 20 0 CHADMP FC(F)(F)CCCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000154381187 261091282 /nfs/dbraw/zinc/09/12/82/261091282.db2.gz JCVMYNVOYLNFAJ-CQSZACIVSA-N 2 1 292.389 3.527 20 0 CHADMP FC(F)(F)CCCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000154381187 261091284 /nfs/dbraw/zinc/09/12/84/261091284.db2.gz JCVMYNVOYLNFAJ-CQSZACIVSA-N 2 1 292.389 3.527 20 0 CHADMP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000449073535 261150227 /nfs/dbraw/zinc/15/02/27/261150227.db2.gz JBIUELORMSYUQZ-IXDOHACOSA-N 2 1 278.484 3.665 20 0 CHADMP c1ccc2c(c1)CCC[C@@H]2[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173602893 261165964 /nfs/dbraw/zinc/16/59/64/261165964.db2.gz BSBSADLMZWLCMY-XLIONFOSSA-N 2 1 298.474 3.872 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000514082470 261199040 /nfs/dbraw/zinc/19/90/40/261199040.db2.gz GZUHVOSNFOUURA-AWEZNQCLSA-N 2 1 298.421 3.606 20 0 CHADMP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccc(F)cc1 ZINC000164686615 261357460 /nfs/dbraw/zinc/35/74/60/261357460.db2.gz HHNGKFKSTOHJFS-KRWDZBQOSA-N 2 1 289.398 3.852 20 0 CHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(C(F)F)cc3)CC[C@@H]21 ZINC000183961086 262001690 /nfs/dbraw/zinc/00/16/90/262001690.db2.gz FETYAAXHJZPKBY-HOTGVXAUSA-N 2 1 294.389 3.540 20 0 CHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C(F)F)cc3)CC[C@@H]21 ZINC000183961086 262001691 /nfs/dbraw/zinc/00/16/91/262001691.db2.gz FETYAAXHJZPKBY-HOTGVXAUSA-N 2 1 294.389 3.540 20 0 CHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C(F)F)cc3)CC[C@@H]21 ZINC000183961086 262001693 /nfs/dbraw/zinc/00/16/93/262001693.db2.gz FETYAAXHJZPKBY-HOTGVXAUSA-N 2 1 294.389 3.540 20 0 CHADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C(F)F)cc2)CC1 ZINC000183955030 262001774 /nfs/dbraw/zinc/00/17/74/262001774.db2.gz IGHSRJATVKVFLL-UHFFFAOYSA-N 2 1 296.405 3.930 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C(F)F)cc2)CC1 ZINC000183955030 262001775 /nfs/dbraw/zinc/00/17/75/262001775.db2.gz IGHSRJATVKVFLL-UHFFFAOYSA-N 2 1 296.405 3.930 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CCC2)[C@@H]2CCC[C@H]21 ZINC000514088533 262185287 /nfs/dbraw/zinc/18/52/87/262185287.db2.gz MBNVPHFZMMMIDW-GBESFXJTSA-N 2 1 298.474 3.571 20 0 CHADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094338891 262196509 /nfs/dbraw/zinc/19/65/09/262196509.db2.gz ARIDXTVOXOLPDO-KEYYUXOJSA-N 2 1 274.452 3.714 20 0 CHADMP COc1ccc(C)cc1[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000020189290 262233088 /nfs/dbraw/zinc/23/30/88/262233088.db2.gz IKDNNDYCBSARQN-HNNXBMFYSA-N 2 1 290.451 3.527 20 0 CHADMP CC[C@@H](C)[C@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000020552315 262250351 /nfs/dbraw/zinc/25/03/51/262250351.db2.gz TYUXYVSIWYYNNQ-CVEARBPZSA-N 2 1 262.441 3.533 20 0 CHADMP CCC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccccc1 ZINC000221908327 262323008 /nfs/dbraw/zinc/32/30/08/262323008.db2.gz BKVDUIKLBZVDFM-KRWDZBQOSA-N 2 1 262.441 3.848 20 0 CHADMP C[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)C1 ZINC000021053710 262375530 /nfs/dbraw/zinc/37/55/30/262375530.db2.gz MDIZDWABVHQUGZ-SJLPKXTDSA-N 2 1 274.452 3.677 20 0 CHADMP C[N@@H+](CC1CCC(c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000414658112 263023189 /nfs/dbraw/zinc/02/31/89/263023189.db2.gz PUIWVHLWGGMWIZ-UHFFFAOYSA-N 2 1 286.463 3.644 20 0 CHADMP C[C@@H]1C[C@@H](C[N@@H+](Cc2ccccc2)C(C)(C)C)CC[NH2+]1 ZINC000414666614 263025126 /nfs/dbraw/zinc/02/51/26/263025126.db2.gz GJGYEVCEXMOIJZ-WBVHZDCISA-N 2 1 274.452 3.675 20 0 CHADMP Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414668489 263026047 /nfs/dbraw/zinc/02/60/47/263026047.db2.gz AAZXCONRAZYAHN-JZXOWHBKSA-N 2 1 272.436 3.520 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000414784213 263046614 /nfs/dbraw/zinc/04/66/14/263046614.db2.gz KQLBQYAVQSIJPF-SLFFLAALSA-N 2 1 298.474 3.572 20 0 CHADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)[C@@H](C)c1ccccc1 ZINC000414833454 263056645 /nfs/dbraw/zinc/05/66/45/263056645.db2.gz FSWMAHFEMXCXKR-VKJFTORMSA-N 2 1 274.452 3.676 20 0 CHADMP C[C@H](CCc1ccccc1F)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414842175 263057966 /nfs/dbraw/zinc/05/79/66/263057966.db2.gz NYVZQGHXNOTSOH-KDOFPFPSSA-N 2 1 292.442 3.644 20 0 CHADMP C[C@H](CCCC(F)(F)F)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414842243 263058451 /nfs/dbraw/zinc/05/84/51/263058451.db2.gz OESBALMSUROEPM-DGCLKSJQSA-N 2 1 280.378 3.605 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)CCc1ccc(Cl)s1 ZINC000414855833 263071960 /nfs/dbraw/zinc/07/19/60/263071960.db2.gz XKSKRXWVPOXCDA-NWDGAFQWSA-N 2 1 288.888 3.686 20 0 CHADMP CCC1(C)CCC([NH2+]CCC[NH2+]Cc2cccnc2)CC1 ZINC000414876757 263092121 /nfs/dbraw/zinc/09/21/21/263092121.db2.gz KXUIACZBERCEDW-UHFFFAOYSA-N 2 1 289.467 3.510 20 0 CHADMP [NH3+]C1(C[NH2+]Cc2ccc(-c3ccccc3F)s2)CCC1 ZINC000414879267 263094588 /nfs/dbraw/zinc/09/45/88/263094588.db2.gz IHRZYACRLJNRTJ-UHFFFAOYSA-N 2 1 290.407 3.525 20 0 CHADMP Fc1cc(-c2ccccc2)ccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000414912795 263118628 /nfs/dbraw/zinc/11/86/28/263118628.db2.gz IHTSLUNLJHDDGX-GOSISDBHSA-N 2 1 298.405 3.724 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000340370033 263119918 /nfs/dbraw/zinc/11/99/18/263119918.db2.gz KIDCMCUBBWSWDS-VQIMIIECSA-N 2 1 284.447 3.623 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000340370033 263119919 /nfs/dbraw/zinc/11/99/19/263119919.db2.gz KIDCMCUBBWSWDS-VQIMIIECSA-N 2 1 284.447 3.623 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000340370033 263119920 /nfs/dbraw/zinc/11/99/20/263119920.db2.gz KIDCMCUBBWSWDS-VQIMIIECSA-N 2 1 284.447 3.623 20 0 CHADMP CC1([NH2+]Cc2ccc(-c3ccccc3)cc2F)CC[NH2+]CC1 ZINC000414942230 263152022 /nfs/dbraw/zinc/15/20/22/263152022.db2.gz MISFSRXTNWSHBJ-UHFFFAOYSA-N 2 1 298.405 3.724 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415060913 263258587 /nfs/dbraw/zinc/25/85/87/263258587.db2.gz ZKSRWCQSJOPLOL-QAPCUYQASA-N 2 1 298.430 3.705 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1F ZINC000415078294 263268176 /nfs/dbraw/zinc/26/81/76/263268176.db2.gz GKRHZUKIPNEGNK-CJNGLKHVSA-N 2 1 282.378 3.538 20 0 CHADMP c1ccc([C@@H]2C[C@@H]([NH2+]C3CCCCCC3)CC[NH2+]2)cc1 ZINC000415098241 263273331 /nfs/dbraw/zinc/27/33/31/263273331.db2.gz FCLSXQOIYIGJIS-ROUUACIJSA-N 2 1 272.436 3.792 20 0 CHADMP CS[C@H]1CC[C@@H]1[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000425361221 264147308 /nfs/dbraw/zinc/14/73/08/264147308.db2.gz UAJZOOUSUSRAGK-IRXDYDNUSA-N 2 1 292.492 3.510 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000474816613 264217262 /nfs/dbraw/zinc/21/72/62/264217262.db2.gz LXECTYWJONGRCA-XJIUQZFPSA-N 2 1 294.870 3.904 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000474816613 264217263 /nfs/dbraw/zinc/21/72/63/264217263.db2.gz LXECTYWJONGRCA-XJIUQZFPSA-N 2 1 294.870 3.904 20 0 CHADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000425958541 264226824 /nfs/dbraw/zinc/22/68/24/264226824.db2.gz NTLZTNJBEVGVND-VBHSOAQHSA-N 2 1 290.426 3.521 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000425958541 264226827 /nfs/dbraw/zinc/22/68/27/264226827.db2.gz NTLZTNJBEVGVND-VBHSOAQHSA-N 2 1 290.426 3.521 20 0 CHADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000430699624 264459644 /nfs/dbraw/zinc/45/96/44/264459644.db2.gz QAJWBQZOVRUZLQ-XOSAIJSUSA-N 2 1 277.456 3.632 20 0 CHADMP CCCc1cccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000518837996 265122486 /nfs/dbraw/zinc/12/24/86/265122486.db2.gz GPHVFNSDAQVLRX-RTBURBONSA-N 2 1 286.463 3.555 20 0 CHADMP CCCc1cccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000518837996 265122490 /nfs/dbraw/zinc/12/24/90/265122490.db2.gz GPHVFNSDAQVLRX-RTBURBONSA-N 2 1 286.463 3.555 20 0 CHADMP CCCc1cccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000518837996 265122494 /nfs/dbraw/zinc/12/24/94/265122494.db2.gz GPHVFNSDAQVLRX-RTBURBONSA-N 2 1 286.463 3.555 20 0 CHADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000094826881 265259703 /nfs/dbraw/zinc/25/97/03/265259703.db2.gz CYWZOOHVZRCZER-ZDUSSCGKSA-N 2 1 296.405 3.880 20 0 CHADMP C[C@H]1CCC[C@H](C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)C1 ZINC000356996014 266226798 /nfs/dbraw/zinc/22/67/98/266226798.db2.gz GYULFASNOWBEMY-RDJZCZTQSA-N 2 1 289.467 3.501 20 0 CHADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC(C)(C)Cc3occc32)C1 ZINC000361970709 266912863 /nfs/dbraw/zinc/91/28/63/266912863.db2.gz IZDPVOABNFKAGP-SQWLQELKSA-N 2 1 290.451 3.756 20 0 CHADMP c1ccc2cc(C[NH2+]C3CC([NH+]4CCCCC4)C3)ccc2c1 ZINC000369536362 267248440 /nfs/dbraw/zinc/24/84/40/267248440.db2.gz GPCXTCBSBABXOQ-UHFFFAOYSA-N 2 1 294.442 3.946 20 0 CHADMP CCSc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000369902927 267275556 /nfs/dbraw/zinc/27/55/56/267275556.db2.gz RZRJWUCJFVEEMT-JKSUJKDBSA-N 2 1 290.476 3.515 20 0 CHADMP CCSc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000369902927 267275558 /nfs/dbraw/zinc/27/55/58/267275558.db2.gz RZRJWUCJFVEEMT-JKSUJKDBSA-N 2 1 290.476 3.515 20 0 CHADMP CCSc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000369902924 267275625 /nfs/dbraw/zinc/27/56/25/267275625.db2.gz RZRJWUCJFVEEMT-CVEARBPZSA-N 2 1 290.476 3.515 20 0 CHADMP CCSc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000369902924 267275627 /nfs/dbraw/zinc/27/56/27/267275627.db2.gz RZRJWUCJFVEEMT-CVEARBPZSA-N 2 1 290.476 3.515 20 0 CHADMP c1cncc([C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C2CCC2)c1 ZINC000370209012 267299344 /nfs/dbraw/zinc/29/93/44/267299344.db2.gz CKDXZUVXSNJMGP-CTWPCTMYSA-N 2 1 299.462 3.529 20 0 CHADMP C[C@@H](F)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000375667757 267884465 /nfs/dbraw/zinc/88/44/65/267884465.db2.gz YSHDHTIGMKPDHS-NVXWUHKLSA-N 2 1 292.442 3.625 20 0 CHADMP C[C@@H](F)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000375667757 267884471 /nfs/dbraw/zinc/88/44/71/267884471.db2.gz YSHDHTIGMKPDHS-NVXWUHKLSA-N 2 1 292.442 3.625 20 0 CHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc2ccccc2o1 ZINC000531614656 328019423 /nfs/dbraw/zinc/01/94/23/328019423.db2.gz ZEAACHAESLRHTL-INIZCTEOSA-N 2 1 286.419 3.739 20 0 CHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc2ccccc2o1 ZINC000531614656 328019424 /nfs/dbraw/zinc/01/94/24/328019424.db2.gz ZEAACHAESLRHTL-INIZCTEOSA-N 2 1 286.419 3.739 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cc2ccccc2o1 ZINC000531614656 328019426 /nfs/dbraw/zinc/01/94/26/328019426.db2.gz ZEAACHAESLRHTL-INIZCTEOSA-N 2 1 286.419 3.739 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cc2ccccc2o1 ZINC000531614656 328019427 /nfs/dbraw/zinc/01/94/27/328019427.db2.gz ZEAACHAESLRHTL-INIZCTEOSA-N 2 1 286.419 3.739 20 0 CHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCc3ccccc32)C1 ZINC000531682486 328021033 /nfs/dbraw/zinc/02/10/33/328021033.db2.gz IDEFARPIHHLRGN-LPHOPBHVSA-N 2 1 286.463 3.776 20 0 CHADMP COc1ccc([C@@H](C)[C@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C)cc1 ZINC000563307680 328022102 /nfs/dbraw/zinc/02/21/02/328022102.db2.gz CMDLILGKGUNUHT-PMPSAXMXSA-N 2 1 292.467 3.506 20 0 CHADMP COc1ccc([C@@H](C)[C@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000563307680 328022103 /nfs/dbraw/zinc/02/21/03/328022103.db2.gz CMDLILGKGUNUHT-PMPSAXMXSA-N 2 1 292.467 3.506 20 0 CHADMP C[C@@H](c1cc2ccccc2o1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000565164413 328057083 /nfs/dbraw/zinc/05/70/83/328057083.db2.gz MVTJFZHOESJPGZ-AWEZNQCLSA-N 2 1 297.402 3.792 20 0 CHADMP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000565164413 328057085 /nfs/dbraw/zinc/05/70/85/328057085.db2.gz MVTJFZHOESJPGZ-AWEZNQCLSA-N 2 1 297.402 3.792 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000268804876 328072360 /nfs/dbraw/zinc/07/23/60/328072360.db2.gz KNMJYBMPUWXFHA-NSHDSACASA-N 2 1 297.324 3.561 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc3ccccc3s2)[C@H](C)C1 ZINC000571304576 328101144 /nfs/dbraw/zinc/10/11/44/328101144.db2.gz SMMXWYZKPIEGMN-CZUORRHYSA-N 2 1 288.460 3.721 20 0 CHADMP CC(C)Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000571328197 328108809 /nfs/dbraw/zinc/10/88/09/328108809.db2.gz KNEFIRAHUHFZEL-LPHOPBHVSA-N 2 1 288.479 3.657 20 0 CHADMP CC(C)Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000571328197 328108810 /nfs/dbraw/zinc/10/88/10/328108810.db2.gz KNEFIRAHUHFZEL-LPHOPBHVSA-N 2 1 288.479 3.657 20 0 CHADMP CC(C)Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000571328197 328108811 /nfs/dbraw/zinc/10/88/11/328108811.db2.gz KNEFIRAHUHFZEL-LPHOPBHVSA-N 2 1 288.479 3.657 20 0 CHADMP CC(C)Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000571328197 328108812 /nfs/dbraw/zinc/10/88/12/328108812.db2.gz KNEFIRAHUHFZEL-LPHOPBHVSA-N 2 1 288.479 3.657 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000268796424 328186150 /nfs/dbraw/zinc/18/61/50/328186150.db2.gz IKZLYWXIZNZKEZ-XJKCOSOUSA-N 2 1 288.460 3.720 20 0 CHADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC2CCC(c3ccccc3)CC2)C1 ZINC000414655064 328208748 /nfs/dbraw/zinc/20/87/48/328208748.db2.gz CTHCBFGCRYDQSE-GSHBMFQSSA-N 2 1 286.463 3.630 20 0 CHADMP COc1ccccc1-c1ccc([C@H](C)[N@@H+](C)CCC[NH3+])cc1 ZINC000414750763 328219043 /nfs/dbraw/zinc/21/90/43/328219043.db2.gz YROGHGOWTBSJQW-HNNXBMFYSA-N 2 1 298.430 3.704 20 0 CHADMP c1ccc2c(c1)cccc2C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414790007 328226608 /nfs/dbraw/zinc/22/66/08/328226608.db2.gz ZETPHNPESNUIMA-ZWKOTPCHSA-N 2 1 294.442 3.661 20 0 CHADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1csc(Cl)c1Cl ZINC000414801810 328231791 /nfs/dbraw/zinc/23/17/91/328231791.db2.gz MHCQSMPLCOTTBX-SCZZXKLOSA-N 2 1 293.263 3.662 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000279904812 328233692 /nfs/dbraw/zinc/23/36/92/328233692.db2.gz LKYGNKUUKRHHJL-SFHVURJKSA-N 2 1 285.435 3.611 20 0 CHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000111192338 328335165 /nfs/dbraw/zinc/33/51/65/328335165.db2.gz ZGIVSZHHQZZZMV-HXUWFJFHSA-N 2 1 298.474 3.939 20 0 CHADMP C[N@@H+]1CCC[C@H]1CC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000534754701 328361762 /nfs/dbraw/zinc/36/17/62/328361762.db2.gz FRODQMDOHHYJES-IBGZPJMESA-N 2 1 294.442 3.850 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000534754701 328361763 /nfs/dbraw/zinc/36/17/63/328361763.db2.gz FRODQMDOHHYJES-IBGZPJMESA-N 2 1 294.442 3.850 20 0 CHADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000049554043 328371679 /nfs/dbraw/zinc/37/16/79/328371679.db2.gz HAHFRUQHGNZPEA-GXTWGEPZSA-N 2 1 274.408 3.732 20 0 CHADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000049554376 328371856 /nfs/dbraw/zinc/37/18/56/328371856.db2.gz BYKQRCWEAHMCID-RYUDHWBXSA-N 2 1 297.512 3.740 20 0 CHADMP CC[C@H]1C[N@H+](CCn2cc[nH+]c2C)CC[C@@H]1c1ccccc1 ZINC000534954095 328373500 /nfs/dbraw/zinc/37/35/00/328373500.db2.gz JUCDGAXEQVNTRT-HKUYNNGSSA-N 2 1 297.446 3.707 20 0 CHADMP CC[C@H]1C[N@@H+](CCn2cc[nH+]c2C)CC[C@@H]1c1ccccc1 ZINC000534954095 328373502 /nfs/dbraw/zinc/37/35/02/328373502.db2.gz JUCDGAXEQVNTRT-HKUYNNGSSA-N 2 1 297.446 3.707 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccccc1Cl ZINC000049856210 328380259 /nfs/dbraw/zinc/38/02/59/328380259.db2.gz RGRJXPDKYNHSNC-UONOGXRCSA-N 2 1 280.843 3.865 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccccc1Cl ZINC000049856210 328380260 /nfs/dbraw/zinc/38/02/60/328380260.db2.gz RGRJXPDKYNHSNC-UONOGXRCSA-N 2 1 280.843 3.865 20 0 CHADMP CCC(CC)[N@H+](CCCCn1cc[nH+]c1C)C1CC1 ZINC000535052897 328381460 /nfs/dbraw/zinc/38/14/60/328381460.db2.gz VSYZHSYWGKGLPL-UHFFFAOYSA-N 2 1 263.429 3.625 20 0 CHADMP CCC(CC)[N@@H+](CCCCn1cc[nH+]c1C)C1CC1 ZINC000535052897 328381462 /nfs/dbraw/zinc/38/14/62/328381462.db2.gz VSYZHSYWGKGLPL-UHFFFAOYSA-N 2 1 263.429 3.625 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000037210992 326841011 /nfs/dbraw/zinc/84/10/11/326841011.db2.gz SUHOYDOKUDDFAE-HNNXBMFYSA-N 2 1 296.455 3.684 20 0 CHADMP CC(C)C1([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000559327492 327160043 /nfs/dbraw/zinc/16/00/43/327160043.db2.gz UFHMZCYLFNVNAB-FUHWJXTLSA-N 2 1 286.463 3.818 20 0 CHADMP CC(C)C1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000559327492 327160044 /nfs/dbraw/zinc/16/00/44/327160044.db2.gz UFHMZCYLFNVNAB-FUHWJXTLSA-N 2 1 286.463 3.818 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccs2)C1 ZINC000090586443 327179823 /nfs/dbraw/zinc/17/98/23/327179823.db2.gz SAPXAAHAVSPZAI-LSDHHAIUSA-N 2 1 280.481 3.767 20 0 CHADMP Cc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1C ZINC000520950427 327192004 /nfs/dbraw/zinc/19/20/04/327192004.db2.gz UGKXEGRMFRDWJL-INIZCTEOSA-N 2 1 288.479 3.905 20 0 CHADMP C[C@H](c1ccccc1Cl)N(C)CC[C@H]1CCC[N@H+]1C ZINC000559841759 327265114 /nfs/dbraw/zinc/26/51/14/327265114.db2.gz DWTLXRXMIGMHLR-ZIAGYGMSSA-N 2 1 280.843 3.817 20 0 CHADMP Cc1ccccc1C[C@H]([NH2+]CCC[N@H+](C)C(C)C)C1CC1 ZINC000560247321 327293519 /nfs/dbraw/zinc/29/35/19/327293519.db2.gz MHKRAWMJORUDCB-IBGZPJMESA-N 2 1 288.479 3.636 20 0 CHADMP COc1cc(C)ccc1[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000560346836 327301805 /nfs/dbraw/zinc/30/18/05/327301805.db2.gz LUMBVAMBCFIKEX-OAHLLOKOSA-N 2 1 290.451 3.529 20 0 CHADMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc(C2CCC2)cc1 ZINC000560525047 327319078 /nfs/dbraw/zinc/31/90/78/327319078.db2.gz DWLTXLDQOKTJCR-BEFAXECRSA-N 2 1 286.463 3.726 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C2CCC2)cc1 ZINC000560525047 327319080 /nfs/dbraw/zinc/31/90/80/327319080.db2.gz DWLTXLDQOKTJCR-BEFAXECRSA-N 2 1 286.463 3.726 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C2CCC2)cc1 ZINC000560525047 327319082 /nfs/dbraw/zinc/31/90/82/327319082.db2.gz DWLTXLDQOKTJCR-BEFAXECRSA-N 2 1 286.463 3.726 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(C2CCC2)cc1 ZINC000560525047 327319083 /nfs/dbraw/zinc/31/90/83/327319083.db2.gz DWLTXLDQOKTJCR-BEFAXECRSA-N 2 1 286.463 3.726 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(C2CCC2)cc1 ZINC000560525047 327319088 /nfs/dbraw/zinc/31/90/88/327319088.db2.gz DWLTXLDQOKTJCR-BEFAXECRSA-N 2 1 286.463 3.726 20 0 CHADMP CC(C)C[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000560701961 327337694 /nfs/dbraw/zinc/33/76/94/327337694.db2.gz OKHHLONUECRWKV-PKOBYXMFSA-N 2 1 288.479 3.875 20 0 CHADMP CC(C)C[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000560701961 327337695 /nfs/dbraw/zinc/33/76/95/327337695.db2.gz OKHHLONUECRWKV-PKOBYXMFSA-N 2 1 288.479 3.875 20 0 CHADMP CC(C)C[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000560701961 327337696 /nfs/dbraw/zinc/33/76/96/327337696.db2.gz OKHHLONUECRWKV-PKOBYXMFSA-N 2 1 288.479 3.875 20 0 CHADMP CCC[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccccc1 ZINC000560742649 327340431 /nfs/dbraw/zinc/34/04/31/327340431.db2.gz AICSGGYPJKZREK-SFHVURJKSA-N 2 1 274.452 3.773 20 0 CHADMP CCC[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1 ZINC000560742649 327340433 /nfs/dbraw/zinc/34/04/33/327340433.db2.gz AICSGGYPJKZREK-SFHVURJKSA-N 2 1 274.452 3.773 20 0 CHADMP CCC[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccccc1 ZINC000560742649 327340434 /nfs/dbraw/zinc/34/04/34/327340434.db2.gz AICSGGYPJKZREK-SFHVURJKSA-N 2 1 274.452 3.773 20 0 CHADMP CC[C@H](c1cccc(OC)c1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000583404311 327346944 /nfs/dbraw/zinc/34/69/44/327346944.db2.gz NUMXNVPIHKWJLB-SJLPKXTDSA-N 2 1 290.451 3.562 20 0 CHADMP CC[C@H](c1cccc(OC)c1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000583404311 327346946 /nfs/dbraw/zinc/34/69/46/327346946.db2.gz NUMXNVPIHKWJLB-SJLPKXTDSA-N 2 1 290.451 3.562 20 0 CHADMP CC[C@H](c1cccc(OC)c1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000583404311 327346948 /nfs/dbraw/zinc/34/69/48/327346948.db2.gz NUMXNVPIHKWJLB-SJLPKXTDSA-N 2 1 290.451 3.562 20 0 CHADMP CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000583404309 327347020 /nfs/dbraw/zinc/34/70/20/327347020.db2.gz NUMXNVPIHKWJLB-AEFFLSMTSA-N 2 1 290.451 3.562 20 0 CHADMP CC[C@@H](c1cccc(OC)c1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000583404309 327347021 /nfs/dbraw/zinc/34/70/21/327347021.db2.gz NUMXNVPIHKWJLB-AEFFLSMTSA-N 2 1 290.451 3.562 20 0 CHADMP CC[C@@H](c1cccc(OC)c1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000583404309 327347023 /nfs/dbraw/zinc/34/70/23/327347023.db2.gz NUMXNVPIHKWJLB-AEFFLSMTSA-N 2 1 290.451 3.562 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261806049 327352314 /nfs/dbraw/zinc/35/23/14/327352314.db2.gz ZFRIEDAOONQCEN-VUKOWNLVSA-N 2 1 280.415 3.570 20 0 CHADMP c1ccc2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)ccc2c1 ZINC000150749548 327369898 /nfs/dbraw/zinc/36/98/98/327369898.db2.gz XSFZKMVKHPMWIN-GOSISDBHSA-N 2 1 294.442 3.758 20 0 CHADMP Cc1ccc([C@H]([NH2+]CCC[NH2+]C(C)C)C2CCCC2)o1 ZINC000582175490 328608727 /nfs/dbraw/zinc/60/87/27/328608727.db2.gz WOVUGMSEMBJJRE-QGZVFWFLSA-N 2 1 278.440 3.797 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000194012852 329064953 /nfs/dbraw/zinc/06/49/53/329064953.db2.gz HDFOYQUGVGNRRS-MSOLQXFVSA-N 2 1 288.479 3.844 20 0 CHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C1CC1 ZINC000177370257 329183585 /nfs/dbraw/zinc/18/35/85/329183585.db2.gz MBFQPKTXLCNXCU-HNNXBMFYSA-N 2 1 298.430 3.800 20 0 CHADMP CC(C)[NH+](CCC[NH2+][C@H](C)c1ccsc1)C(C)C ZINC000178220211 329194666 /nfs/dbraw/zinc/19/46/66/329194666.db2.gz KCEGUYSFCPMQDY-CQSZACIVSA-N 2 1 268.470 3.908 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2)C(C)C)[C@@H](C)C1 ZINC000469218107 329198386 /nfs/dbraw/zinc/19/83/86/329198386.db2.gz SOZZWNOAPPSWTG-WDSOQIARSA-N 2 1 288.479 3.746 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000178697506 329202354 /nfs/dbraw/zinc/20/23/54/329202354.db2.gz LBGHPSGOANRUNA-BBRMVZONSA-N 2 1 285.435 3.795 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(C)s1 ZINC000178696891 329202370 /nfs/dbraw/zinc/20/23/70/329202370.db2.gz GGEUKWMXJFDFBV-DGCLKSJQSA-N 2 1 291.464 3.857 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000178695295 329202415 /nfs/dbraw/zinc/20/24/15/329202415.db2.gz DPCDNOFFLOGLNI-JKSUJKDBSA-N 2 1 285.435 3.795 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCCc2ccccc21 ZINC000178705004 329202739 /nfs/dbraw/zinc/20/27/39/329202739.db2.gz BPIZYQFFKOSFFU-BEFAXECRSA-N 2 1 297.446 3.885 20 0 CHADMP C[C@H](CCC1CC1)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000469797358 329245417 /nfs/dbraw/zinc/24/54/17/329245417.db2.gz AXBUDUJHZQBPSD-MRXNPFEDSA-N 2 1 286.463 3.603 20 0 CHADMP C[C@H](CCC1CC1)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000469797358 329245418 /nfs/dbraw/zinc/24/54/18/329245418.db2.gz AXBUDUJHZQBPSD-MRXNPFEDSA-N 2 1 286.463 3.603 20 0 CHADMP CC[C@H]1CC[C@@H]1[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000582983189 329293975 /nfs/dbraw/zinc/29/39/75/329293975.db2.gz XTTQYTBFXHESFG-ROUUACIJSA-N 2 1 274.452 3.805 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000584378547 329307118 /nfs/dbraw/zinc/30/71/18/329307118.db2.gz NYFLATXQIJMOKJ-QXAKKESOSA-N 2 1 290.495 3.643 20 0 CHADMP CC(C)[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000125071588 329577205 /nfs/dbraw/zinc/57/72/05/329577205.db2.gz ZJTOEFSYWIAXMH-CVEARBPZSA-N 2 1 274.452 3.846 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000245878070 329757153 /nfs/dbraw/zinc/75/71/53/329757153.db2.gz AUEDCDFPLVUACC-YZVOILCLSA-N 2 1 297.446 3.659 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC000445403229 330110954 /nfs/dbraw/zinc/11/09/54/330110954.db2.gz MNPHHXDUKMVVEZ-JKSUJKDBSA-N 2 1 286.463 3.510 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@H]1C ZINC000379628386 330144544 /nfs/dbraw/zinc/14/45/44/330144544.db2.gz IUGFNNPOCNIOMX-VYDRJQSISA-N 2 1 286.463 3.674 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@H]1C ZINC000379628386 330144545 /nfs/dbraw/zinc/14/45/45/330144545.db2.gz IUGFNNPOCNIOMX-VYDRJQSISA-N 2 1 286.463 3.674 20 0 CHADMP CC[C@@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000379659171 330146239 /nfs/dbraw/zinc/14/62/39/330146239.db2.gz YYOBBTWBMWWITQ-CRAIPNDOSA-N 2 1 274.452 3.675 20 0 CHADMP c1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc(C2CC2)c1 ZINC000422550837 330149019 /nfs/dbraw/zinc/14/90/19/330149019.db2.gz BZTDUNDNWPOYME-RTBURBONSA-N 2 1 284.447 3.528 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000422706507 330151162 /nfs/dbraw/zinc/15/11/62/330151162.db2.gz UNLCYHZKKULZEM-BZZMCLGOSA-N 2 1 272.436 3.648 20 0 CHADMP C[C@H]([NH2+]CCCCCc1ccccc1)c1c[nH+]ccc1N ZINC000422708479 330151456 /nfs/dbraw/zinc/15/14/56/330151456.db2.gz XTSXDKNEKPYPLM-HNNXBMFYSA-N 2 1 283.419 3.558 20 0 CHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1Cl ZINC000422749934 330153358 /nfs/dbraw/zinc/15/33/58/330153358.db2.gz BMZMSGCXTBGIQN-SDDRHHMPSA-N 2 1 284.806 3.518 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cccs1 ZINC000422766237 330153962 /nfs/dbraw/zinc/15/39/62/330153962.db2.gz RBCPHVJAWONDDL-CWRNSKLLSA-N 2 1 286.444 3.892 20 0 CHADMP C[C@H]([NH2+]Cc1ccc(C(C)(C)C)cc1)c1c[nH+]ccc1N ZINC000422791530 330155301 /nfs/dbraw/zinc/15/53/01/330155301.db2.gz YPYZDKCZJXFOAH-ZDUSSCGKSA-N 2 1 283.419 3.642 20 0 CHADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422941250 330161662 /nfs/dbraw/zinc/16/16/62/330161662.db2.gz UTESFAIVNOBRAK-FHWLQOOXSA-N 2 1 278.399 3.717 20 0 CHADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000422960191 330164295 /nfs/dbraw/zinc/16/42/95/330164295.db2.gz VOXIBTSVYCGBJY-AVGNSLFASA-N 2 1 289.448 3.587 20 0 CHADMP C[C@@H]([NH2+]CC1(C)CCCCCC1)c1c[nH+]ccc1N ZINC000423025332 330165977 /nfs/dbraw/zinc/16/59/77/330165977.db2.gz LGDWIMBXDYTFLF-CYBMUJFWSA-N 2 1 261.413 3.505 20 0 CHADMP CC(C)Oc1ccc2ccccc2c1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000423049282 330166980 /nfs/dbraw/zinc/16/69/80/330166980.db2.gz JUPQPWITNYGPBI-MSOLQXFVSA-N 2 1 298.430 3.596 20 0 CHADMP CC(C)(C)C1CC([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000423132999 330171798 /nfs/dbraw/zinc/17/17/98/330171798.db2.gz JUZNKNGDXRKZDM-FPQWYMTMSA-N 2 1 286.463 3.894 20 0 CHADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(OC(F)F)cc1 ZINC000423177643 330175039 /nfs/dbraw/zinc/17/50/39/330175039.db2.gz JGPMVRHNWIODSO-LBPRGKRZSA-N 2 1 298.377 3.600 20 0 CHADMP Cc1cccc([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c1C ZINC000423182141 330175349 /nfs/dbraw/zinc/17/53/49/330175349.db2.gz DWJQPNXDXBNLLM-QGZVFWFLSA-N 2 1 297.446 3.529 20 0 CHADMP Cc1cc(C)cc([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c1 ZINC000423187804 330175657 /nfs/dbraw/zinc/17/56/57/330175657.db2.gz MUHMGOJZHXRMAF-KRWDZBQOSA-N 2 1 297.446 3.529 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c(C)c1 ZINC000423184050 330175787 /nfs/dbraw/zinc/17/57/87/330175787.db2.gz HNTWDFYXQLVEGE-QGZVFWFLSA-N 2 1 297.446 3.529 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1Cl ZINC000423215083 330178403 /nfs/dbraw/zinc/17/84/03/330178403.db2.gz QDTUIMFXTXONSJ-WDEREUQCSA-N 2 1 287.234 3.644 20 0 CHADMP Clc1cc2c(c(Cl)c1)[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)CC2 ZINC000423213023 330178353 /nfs/dbraw/zinc/17/83/53/330178353.db2.gz MPSMYZZQWHULHB-IINYFYTJSA-N 2 1 299.245 3.570 20 0 CHADMP CSc1ccc([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1F ZINC000423258980 330183402 /nfs/dbraw/zinc/18/34/02/330183402.db2.gz CTZDBWXFDYGOSO-AAEUAGOBSA-N 2 1 284.444 3.572 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)s1 ZINC000423258966 330183413 /nfs/dbraw/zinc/18/34/13/330183413.db2.gz CSLRGCIFBNIHOT-GXTWGEPZSA-N 2 1 266.454 3.615 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000423259880 330183440 /nfs/dbraw/zinc/18/34/40/330183440.db2.gz FWNJAOJOYHELRN-CMPLNLGQSA-N 2 1 272.795 3.503 20 0 CHADMP CC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)c1ccc(Cl)s1 ZINC000423259391 330183514 /nfs/dbraw/zinc/18/35/14/330183514.db2.gz DPTVENJXPXRWPN-QWRGUYRKSA-N 2 1 274.861 3.816 20 0 CHADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423260588 330183758 /nfs/dbraw/zinc/18/37/58/330183758.db2.gz HPLDKVIWHXLJKP-WCQYABFASA-N 2 1 297.512 3.773 20 0 CHADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000423272096 330184710 /nfs/dbraw/zinc/18/47/10/330184710.db2.gz YJYOTRJQDJIRHR-SUMWQHHRSA-N 2 1 285.435 3.508 20 0 CHADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000423271372 330184861 /nfs/dbraw/zinc/18/48/61/330184861.db2.gz JBFHOQJXEYLVFO-TVQRCGJNSA-N 2 1 275.223 3.627 20 0 CHADMP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1Cl ZINC000423281289 330185478 /nfs/dbraw/zinc/18/54/78/330185478.db2.gz UDAIFEVIDAWGPN-ABAIWWIYSA-N 2 1 296.842 3.515 20 0 CHADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc(-c2ccccc2)c1 ZINC000423282496 330185661 /nfs/dbraw/zinc/18/56/61/330185661.db2.gz VDTJBVWPJWGEEE-LIRRHRJNSA-N 2 1 280.415 3.742 20 0 CHADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(-c2ccccc2)cc1 ZINC000423282164 330185711 /nfs/dbraw/zinc/18/57/11/330185711.db2.gz CDDKGVKYXRYXLA-AWEZNQCLSA-N 2 1 268.404 3.742 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000423284354 330185834 /nfs/dbraw/zinc/18/58/34/330185834.db2.gz YEZRPXKAPXQRGK-BXUZGUMPSA-N 2 1 288.357 3.729 20 0 CHADMP CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423317882 330190136 /nfs/dbraw/zinc/19/01/36/330190136.db2.gz KUCZZZNYBGTMSB-MLGOLLRUSA-N 2 1 278.465 3.575 20 0 CHADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(F)cc1Cl ZINC000423327551 330190720 /nfs/dbraw/zinc/19/07/20/330190720.db2.gz LJGVTQPCKVUZID-XHDPSFHLSA-N 2 1 284.806 3.519 20 0 CHADMP CC(C)Oc1ccc([C@H](C)[NH2+]CC2([NH3+])CCC2)cc1Cl ZINC000423327956 330190861 /nfs/dbraw/zinc/19/08/61/330190861.db2.gz NKQIMGPSOGAEQY-LBPRGKRZSA-N 2 1 296.842 3.659 20 0 CHADMP CC(C)CC[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccoc1 ZINC000423346533 330192576 /nfs/dbraw/zinc/19/25/76/330192576.db2.gz PYDRXNVUWCDBTR-DLBZAZTESA-N 2 1 278.440 3.736 20 0 CHADMP CC(C)CC[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccoc1 ZINC000423346534 330192663 /nfs/dbraw/zinc/19/26/63/330192663.db2.gz PYDRXNVUWCDBTR-IAGOWNOFSA-N 2 1 278.440 3.736 20 0 CHADMP CC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cc(Cl)ccc1OC ZINC000423353212 330193233 /nfs/dbraw/zinc/19/32/33/330193233.db2.gz BFVDOYRCHGUOGS-UKRRQHHQSA-N 2 1 296.842 3.531 20 0 CHADMP C[C@@H](C[NH3+])[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000423359184 330193718 /nfs/dbraw/zinc/19/37/18/330193718.db2.gz CUYAEYKGSKBTJQ-GUYCJALGSA-N 2 1 288.822 3.561 20 0 CHADMP CCSc1ccccc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423367682 330194595 /nfs/dbraw/zinc/19/45/95/330194595.db2.gz DOMVSQJMOSCTNV-HZSPNIEDSA-N 2 1 278.465 3.590 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCSc3c(Cl)cccc32)CC[NH2+]1 ZINC000423370616 330194887 /nfs/dbraw/zinc/19/48/87/330194887.db2.gz GZNCKHMAXZWVEF-JTNHKYCSSA-N 2 1 296.867 3.607 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CC[NH2+]1 ZINC000423368705 330195074 /nfs/dbraw/zinc/19/50/74/330195074.db2.gz FHNWIAQBZXBMCU-LJWDBELGSA-N 2 1 299.245 3.711 20 0 CHADMP Cc1cc2cc([C@H](C)[NH2+][C@H]3CC[NH2+]C[C@@H]3C)oc2cc1C ZINC000423406482 330196645 /nfs/dbraw/zinc/19/66/45/330196645.db2.gz UTCIEGJUOOBFMZ-DZKIICNBSA-N 2 1 286.419 3.698 20 0 CHADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000423407756 330197054 /nfs/dbraw/zinc/19/70/54/330197054.db2.gz WJHHWJIPAICANT-BIGNPOOSSA-N 2 1 299.245 3.568 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cccc(Cl)c1F ZINC000423390087 330200436 /nfs/dbraw/zinc/20/04/36/330200436.db2.gz VRJYYVOKYBYGLR-SUNKGSAMSA-N 2 1 284.806 3.660 20 0 CHADMP C[C@@H]([NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1)[C@H](C)[NH3+] ZINC000423432767 330201180 /nfs/dbraw/zinc/20/11/80/330201180.db2.gz BMJZCLRDJCALFT-ZOWXZIJZSA-N 2 1 266.404 3.628 20 0 CHADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000423450195 330202954 /nfs/dbraw/zinc/20/29/54/330202954.db2.gz SQNUXXPOMRWULY-JYJNAYRXSA-N 2 1 298.430 3.652 20 0 CHADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000423453741 330203146 /nfs/dbraw/zinc/20/31/46/330203146.db2.gz YAFXFTZFAFKZIM-JYJNAYRXSA-N 2 1 298.430 3.652 20 0 CHADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000423453743 330203214 /nfs/dbraw/zinc/20/32/14/330203214.db2.gz YAFXFTZFAFKZIM-PMPSAXMXSA-N 2 1 298.430 3.652 20 0 CHADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cccc(Cl)c1 ZINC000423528120 330210420 /nfs/dbraw/zinc/21/04/20/330210420.db2.gz NBBNDKOWNXPUTR-IAQYHMDHSA-N 2 1 266.816 3.508 20 0 CHADMP CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000423536618 330212789 /nfs/dbraw/zinc/21/27/89/330212789.db2.gz ZUAKRQRGXBYIGY-KBXCAEBGSA-N 2 1 290.451 3.642 20 0 CHADMP CC(C)[C@H](C[NH2+]C[C@@H](C)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000527115813 330222952 /nfs/dbraw/zinc/22/29/52/330222952.db2.gz MRTNHZVFZQZDDY-QAPCUYQASA-N 2 1 292.442 3.639 20 0 CHADMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000527631654 330266869 /nfs/dbraw/zinc/26/68/69/330266869.db2.gz MXEVSGGDBCWCBB-ZWKOTPCHSA-N 2 1 286.463 3.787 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527691042 330279327 /nfs/dbraw/zinc/27/93/27/330279327.db2.gz KRPASNXYEMJJRW-FVUVGQSESA-N 2 1 290.495 3.664 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC12CC2 ZINC000527851749 330288496 /nfs/dbraw/zinc/28/84/96/330288496.db2.gz AZMQRVFKZHPOSB-WDSOQIARSA-N 2 1 298.474 3.677 20 0 CHADMP C[C@@H](Nc1[nH+]ccc2ccccc21)C(C)(C)C[NH+](C)C ZINC000527903597 330289691 /nfs/dbraw/zinc/28/96/91/330289691.db2.gz IVMBEUMOFYGHSW-CYBMUJFWSA-N 2 1 271.408 3.623 20 0 CHADMP Cc1cccc([C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C(C)C)c1 ZINC000527876412 330291312 /nfs/dbraw/zinc/29/13/12/330291312.db2.gz NGDQLXFAYMEBII-GOSISDBHSA-N 2 1 272.436 3.544 20 0 CHADMP C1=CCC(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000527949510 330294289 /nfs/dbraw/zinc/29/42/89/330294289.db2.gz NWLDXTWLDZTNSI-OWZKRDHZSA-N 2 1 296.458 3.738 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C1CCC1)C1CCC1 ZINC000527926083 330296646 /nfs/dbraw/zinc/29/66/46/330296646.db2.gz OJVUDAGHJLLYLJ-LBTNJELSSA-N 2 1 278.484 3.521 20 0 CHADMP CCc1ccc([C@H](CC)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044533991 330329705 /nfs/dbraw/zinc/32/97/05/330329705.db2.gz UYFCMRFGFKIMFL-WMZOPIPTSA-N 2 1 274.452 3.632 20 0 CHADMP CCC(C)(C)C1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000044535148 330329951 /nfs/dbraw/zinc/32/99/51/330329951.db2.gz AWUNAHRBQYSQNI-GTPINHCMSA-N 2 1 280.500 3.913 20 0 CHADMP CC(C)(C)C1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000106868909 330341521 /nfs/dbraw/zinc/34/15/21/330341521.db2.gz LZTKVVINMWYDFB-SJJHQCBESA-N 2 1 278.484 3.808 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424328361 330341701 /nfs/dbraw/zinc/34/17/01/330341701.db2.gz NZVPURQPEXLUGK-XFWGSAIBSA-N 2 1 298.474 3.675 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424328361 330341702 /nfs/dbraw/zinc/34/17/02/330341702.db2.gz NZVPURQPEXLUGK-XFWGSAIBSA-N 2 1 298.474 3.675 20 0 CHADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424373527 330348355 /nfs/dbraw/zinc/34/83/55/330348355.db2.gz JPMCAVZYYNKAGE-BPLDGKMQSA-N 2 1 272.392 3.662 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](C)c2ccccc2)CC1 ZINC000116879258 330361169 /nfs/dbraw/zinc/36/11/69/330361169.db2.gz KOPRIUWFAMOEDI-INIZCTEOSA-N 2 1 274.452 3.596 20 0 CHADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)c(F)c1)C[NH+]1CCCC1 ZINC000212721977 330367191 /nfs/dbraw/zinc/36/71/91/330367191.db2.gz BGWVULSRBWCKCV-STQMWFEESA-N 2 1 298.833 3.862 20 0 CHADMP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119661028 330378312 /nfs/dbraw/zinc/37/83/12/330378312.db2.gz LNQODGBCOQPARQ-YJBOKZPZSA-N 2 1 278.484 3.808 20 0 CHADMP Cc1cccc(C(C)(C)C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000120801439 330392274 /nfs/dbraw/zinc/39/22/74/330392274.db2.gz DOJMZBUTYOCWBB-XYJFISCASA-N 2 1 288.479 3.591 20 0 CHADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C)CC1)CCC2 ZINC000090400646 330392447 /nfs/dbraw/zinc/39/24/47/330392447.db2.gz SUPQGFOMGZGNGI-LJQANCHMSA-N 2 1 286.463 3.871 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC000090585381 330393817 /nfs/dbraw/zinc/39/38/17/330393817.db2.gz CVSHIRQZOZOBBN-HZPDHXFCSA-N 2 1 278.440 3.607 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)o1 ZINC000090585381 330393818 /nfs/dbraw/zinc/39/38/18/330393818.db2.gz CVSHIRQZOZOBBN-HZPDHXFCSA-N 2 1 278.440 3.607 20 0 CHADMP CC[C@@H](F)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000440600513 330752033 /nfs/dbraw/zinc/75/20/33/330752033.db2.gz RCXNPFICCFLSJK-IUODEOHRSA-N 2 1 275.371 3.579 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@@H+](CC/C=C\c2ccccc2)CC1 ZINC000450853328 331002953 /nfs/dbraw/zinc/00/29/53/331002953.db2.gz HKXRDUDUPGMSON-SNMSSPIJSA-N 2 1 272.436 3.506 20 0 CHADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000163377431 331029353 /nfs/dbraw/zinc/02/93/53/331029353.db2.gz WIFKKZDEDGMRFI-XNPDXQRHSA-N 2 1 292.854 3.516 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000163377431 331029354 /nfs/dbraw/zinc/02/93/54/331029354.db2.gz WIFKKZDEDGMRFI-XNPDXQRHSA-N 2 1 292.854 3.516 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccccc2SC)C1 ZINC000194862193 331067218 /nfs/dbraw/zinc/06/72/18/331067218.db2.gz KHYKGCKTEUJKCT-LSDHHAIUSA-N 2 1 292.492 3.791 20 0 CHADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccncc1 ZINC000453053888 331085073 /nfs/dbraw/zinc/08/50/73/331085073.db2.gz AYQLOBNDDQWUEE-SJLPKXTDSA-N 2 1 289.467 3.634 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2sccc21 ZINC000453076619 331086881 /nfs/dbraw/zinc/08/68/81/331086881.db2.gz JIVCWDKBTGFLFR-DVOMOZLQSA-N 2 1 290.476 3.760 20 0 CHADMP CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)C1CCC1 ZINC000453107625 331089874 /nfs/dbraw/zinc/08/98/74/331089874.db2.gz LQPBUZGAQHNSKV-RDJZCZTQSA-N 2 1 266.473 3.665 20 0 CHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CCC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453157947 331095331 /nfs/dbraw/zinc/09/53/31/331095331.db2.gz JULRIUOGNPATLT-QYZOEREBSA-N 2 1 284.447 3.572 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000453178866 331097772 /nfs/dbraw/zinc/09/77/72/331097772.db2.gz UFJZRCNPVNRYQE-CRAIPNDOSA-N 2 1 278.484 3.523 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000453239860 331105709 /nfs/dbraw/zinc/10/57/09/331105709.db2.gz TURVDSCWUMWGNG-XHSVMWQWSA-N 2 1 290.426 3.521 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)CC[N@@H+]1C ZINC000453284623 331111055 /nfs/dbraw/zinc/11/10/55/331111055.db2.gz LMUVNNCAPBSFOY-RFGFWPKPSA-N 2 1 292.389 3.570 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)CC[N@H+]1C ZINC000453284623 331111056 /nfs/dbraw/zinc/11/10/56/331111056.db2.gz LMUVNNCAPBSFOY-RFGFWPKPSA-N 2 1 292.389 3.570 20 0 CHADMP Cc1ccccc1C1CC([NH2+]CCCC[N@H+](C)C2CC2)C1 ZINC000453390032 331127192 /nfs/dbraw/zinc/12/71/92/331127192.db2.gz CTQZGWLLUNADGG-UHFFFAOYSA-N 2 1 286.463 3.705 20 0 CHADMP Cc1ccc([C@@H]([NH2+]CCCC[N@H+](C)C2CC2)C2CCC2)o1 ZINC000453397382 331128180 /nfs/dbraw/zinc/12/81/80/331128180.db2.gz JIAJJELFSYJIFJ-SFHVURJKSA-N 2 1 290.451 3.893 20 0 CHADMP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(OC)cc1 ZINC000453415036 331130289 /nfs/dbraw/zinc/13/02/89/331130289.db2.gz WZIQSNWYFULJJU-GOSISDBHSA-N 2 1 290.451 3.610 20 0 CHADMP CCOc1ccc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000453420641 331130593 /nfs/dbraw/zinc/13/05/93/331130593.db2.gz ZSBYSWXFCNPQQW-HNNXBMFYSA-N 2 1 290.451 3.610 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCc2ccccc21)C1CC1 ZINC000453421272 331130609 /nfs/dbraw/zinc/13/06/09/331130609.db2.gz LGWDXBUCEDJKQM-GOSISDBHSA-N 2 1 272.436 3.528 20 0 CHADMP Cc1ccc2[nH]c(C[NH2+]CCCC[N@H+](C)C3CC3)cc2c1C ZINC000453601774 331135818 /nfs/dbraw/zinc/13/58/18/331135818.db2.gz VTZXHDUPDFBOBO-UHFFFAOYSA-N 2 1 299.462 3.749 20 0 CHADMP CC(C)[C@@H](C[NH2+]CCCC[N@@H+](C)C1CC1)c1ccccc1 ZINC000453603339 331135945 /nfs/dbraw/zinc/13/59/45/331135945.db2.gz XNFKOKUULQNKIY-LJQANCHMSA-N 2 1 288.479 3.890 20 0 CHADMP Cc1cc(C)c(C[NH2+]CCCC[N@H+](C)C2CC2)cc1C ZINC000453608993 331136281 /nfs/dbraw/zinc/13/62/81/331136281.db2.gz ZCVPETIXYRALAB-UHFFFAOYSA-N 2 1 274.452 3.576 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1ccc2c(c1)CCC2 ZINC000459361299 331278245 /nfs/dbraw/zinc/27/82/45/331278245.db2.gz FLCVGLPHLMTEOO-OAHLLOKOSA-N 2 1 297.446 3.763 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1ccc2c(c1)CCC2 ZINC000459361299 331278246 /nfs/dbraw/zinc/27/82/46/331278246.db2.gz FLCVGLPHLMTEOO-OAHLLOKOSA-N 2 1 297.446 3.763 20 0 CHADMP CCC(CC)[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1 ZINC000459390075 331279686 /nfs/dbraw/zinc/27/96/86/331279686.db2.gz IFSLJHBIJUOLFJ-GOSISDBHSA-N 2 1 285.435 3.730 20 0 CHADMP CCC(CC)[C@H]([NH2+]CCc1c[nH+]cn1C)c1cccs1 ZINC000459393159 331279775 /nfs/dbraw/zinc/27/97/75/331279775.db2.gz MCQLCESBFAWMDC-INIZCTEOSA-N 2 1 291.464 3.791 20 0 CHADMP CCCC[C@@H](CCC)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459437090 331281286 /nfs/dbraw/zinc/28/12/86/331281286.db2.gz GMZPXKXZYBJVRC-OAHLLOKOSA-N 2 1 266.473 3.809 20 0 CHADMP Cc1oc2ccccc2c1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459729344 331296209 /nfs/dbraw/zinc/29/62/09/331296209.db2.gz JBXJUHUUSKFWQK-HNNXBMFYSA-N 2 1 286.419 3.563 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@H](C)C2 ZINC000459735054 331296890 /nfs/dbraw/zinc/29/68/90/331296890.db2.gz HJNYZVTYCQXXNT-JTDSTZFVSA-N 2 1 286.463 3.550 20 0 CHADMP Cc1cc2[nH]c(C[NH2+]CC[C@H]3CCC[N@H+](C)C3)cc2c(C)c1 ZINC000459783374 331300755 /nfs/dbraw/zinc/30/07/55/331300755.db2.gz NASWIBVQRKFYPC-MRXNPFEDSA-N 2 1 299.462 3.606 20 0 CHADMP Cc1ccc([C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C2CC2)cc1 ZINC000459793959 331301441 /nfs/dbraw/zinc/30/14/41/331301441.db2.gz UFZLTPDMIGUABY-LPHOPBHVSA-N 2 1 286.463 3.768 20 0 CHADMP c1cc(C2CCCC2)ccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000462795059 331329415 /nfs/dbraw/zinc/32/94/15/331329415.db2.gz MDXCRJDUOGYJIQ-KRWDZBQOSA-N 2 1 298.474 3.918 20 0 CHADMP CCCCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464845915 331371001 /nfs/dbraw/zinc/37/10/01/331371001.db2.gz PVKSQWOLNTXGPN-GOSISDBHSA-N 2 1 274.452 3.631 20 0 CHADMP CCCCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464845915 331371002 /nfs/dbraw/zinc/37/10/02/331371002.db2.gz PVKSQWOLNTXGPN-GOSISDBHSA-N 2 1 274.452 3.631 20 0 CHADMP CCCCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464845915 331371003 /nfs/dbraw/zinc/37/10/03/331371003.db2.gz PVKSQWOLNTXGPN-GOSISDBHSA-N 2 1 274.452 3.631 20 0 CHADMP C[C@@H]1CCC[C@H](CC[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000464888497 331372805 /nfs/dbraw/zinc/37/28/05/331372805.db2.gz FBFLSVFPCBQXHV-TWMKSMIVSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@@H]1CCC[C@H](CC[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000464888497 331372806 /nfs/dbraw/zinc/37/28/06/331372806.db2.gz FBFLSVFPCBQXHV-TWMKSMIVSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@@H]1CCC[C@H](CC[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000464888497 331372807 /nfs/dbraw/zinc/37/28/07/331372807.db2.gz FBFLSVFPCBQXHV-TWMKSMIVSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@@H]1CCC[C@H](CC[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000464888497 331372808 /nfs/dbraw/zinc/37/28/08/331372808.db2.gz FBFLSVFPCBQXHV-TWMKSMIVSA-N 2 1 266.473 3.617 20 0 CHADMP C[NH2+]C1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000470002598 331469552 /nfs/dbraw/zinc/46/95/52/331469552.db2.gz KGTGCONKZICLSM-UHFFFAOYSA-N 2 1 286.444 3.599 20 0 CHADMP CC(C)[C@H]1C[C@@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)CS1 ZINC000488419647 332005953 /nfs/dbraw/zinc/00/59/53/332005953.db2.gz HGALUJJZROOULT-NVXWUHKLSA-N 2 1 298.540 3.761 20 0 CHADMP c1ccc([C@@H]2CCC[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000488425222 332006776 /nfs/dbraw/zinc/00/67/76/332006776.db2.gz TXSMEDUKBCMXJE-IEBWSBKVSA-N 2 1 298.474 3.929 20 0 CHADMP CC(C)[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CS1 ZINC000488432040 332007825 /nfs/dbraw/zinc/00/78/25/332007825.db2.gz LGLOVZYLDVCOAO-BBWFWOEESA-N 2 1 298.540 3.761 20 0 CHADMP CC(C)[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CS1 ZINC000488439325 332008744 /nfs/dbraw/zinc/00/87/44/332008744.db2.gz ZPLKLLWFILROQM-IKGGRYGDSA-N 2 1 298.540 3.618 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000488443484 332009183 /nfs/dbraw/zinc/00/91/83/332009183.db2.gz OFERVVHVKSNXEP-YSHGAJCASA-N 2 1 286.463 3.643 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000488443484 332009184 /nfs/dbraw/zinc/00/91/84/332009184.db2.gz OFERVVHVKSNXEP-YSHGAJCASA-N 2 1 286.463 3.643 20 0 CHADMP Cc1cccc(N2CCC([NH2+]C3CCC4(CC4)CC3)CC2)[nH+]1 ZINC000488464256 332011500 /nfs/dbraw/zinc/01/15/00/332011500.db2.gz SSHRHDNCGALRDJ-UHFFFAOYSA-N 2 1 299.462 3.671 20 0 CHADMP C[C@H]([NH2+]C1CCC2(CC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000488508866 332014580 /nfs/dbraw/zinc/01/45/80/332014580.db2.gz UNYIZGSNWATALE-HOTGVXAUSA-N 2 1 290.495 3.952 20 0 CHADMP C[C@@H](C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)c1cccc(Cl)c1 ZINC000490014431 332076767 /nfs/dbraw/zinc/07/67/67/332076767.db2.gz QEXLJZMDDWFVDQ-YOEHRIQHSA-N 2 1 292.854 3.519 20 0 CHADMP C[C@@H](C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)c1cccc(Cl)c1 ZINC000490014431 332076769 /nfs/dbraw/zinc/07/67/69/332076769.db2.gz QEXLJZMDDWFVDQ-YOEHRIQHSA-N 2 1 292.854 3.519 20 0 CHADMP C(C1CCCC1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491060587 332143774 /nfs/dbraw/zinc/14/37/74/332143774.db2.gz LFDCSIOAVXUCRS-GOSISDBHSA-N 2 1 278.484 3.765 20 0 CHADMP C[N@@H+](CCC[NH2+]C1CC(OC(C)(C)C)C1)C1CCCCC1 ZINC000491271143 332178293 /nfs/dbraw/zinc/17/82/93/332178293.db2.gz MUBRFXTVANUWBB-UHFFFAOYSA-N 2 1 296.499 3.577 20 0 CHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2C[C@@H](C)[C@@H]2C)CC1 ZINC000495074384 332503680 /nfs/dbraw/zinc/50/36/80/332503680.db2.gz MFZRRLWDTAZMAH-DRMAHVMPSA-N 2 1 286.463 3.846 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CC(c2ccccc2C)C1 ZINC000575769735 335113633 /nfs/dbraw/zinc/11/36/33/335113633.db2.gz KXHDBQDPHAPTMO-ABHNRTSZSA-N 2 1 286.463 3.705 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CC(c2ccccc2C)C1 ZINC000575769735 335113634 /nfs/dbraw/zinc/11/36/34/335113634.db2.gz KXHDBQDPHAPTMO-ABHNRTSZSA-N 2 1 286.463 3.705 20 0 CHADMP C[C@H]1C[C@@H](CC[NH2+]CC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000513495338 333022722 /nfs/dbraw/zinc/02/27/22/333022722.db2.gz OKIJNFTZTDAXDU-FUHWJXTLSA-N 2 1 288.479 3.923 20 0 CHADMP CC(C)Cc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000513725581 333035829 /nfs/dbraw/zinc/03/58/29/333035829.db2.gz QEXGXHMOVNMIGA-UHFFFAOYSA-N 2 1 288.479 3.659 20 0 CHADMP C[C@@H]([NH2+]CC1(C)CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309891749 333050829 /nfs/dbraw/zinc/05/08/29/333050829.db2.gz DXAQSIRNLHVEFL-AEFFLSMTSA-N 2 1 286.463 3.677 20 0 CHADMP CC(C)[C@H](C)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309921990 333051474 /nfs/dbraw/zinc/05/14/74/333051474.db2.gz RFJYXWGTVHBYOV-ZIFCJYIRSA-N 2 1 288.479 3.779 20 0 CHADMP CC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000310027203 333052940 /nfs/dbraw/zinc/05/29/40/333052940.db2.gz VWQGKXUOUCKLAC-FUHWJXTLSA-N 2 1 274.452 3.677 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000336868596 335122478 /nfs/dbraw/zinc/12/24/78/335122478.db2.gz XSZGFEINRVDDFJ-KFKAGJAMSA-N 2 1 297.446 3.754 20 0 CHADMP CC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)c1cccc(F)c1 ZINC000219091469 333141285 /nfs/dbraw/zinc/14/12/85/333141285.db2.gz GCLYMFFULSFQSX-MRXNPFEDSA-N 2 1 266.404 3.597 20 0 CHADMP CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1cccc(F)c1 ZINC000219091469 333141287 /nfs/dbraw/zinc/14/12/87/333141287.db2.gz GCLYMFFULSFQSX-MRXNPFEDSA-N 2 1 266.404 3.597 20 0 CHADMP CC[C@@H](C)[N@H+](C)CC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000219390611 333148471 /nfs/dbraw/zinc/14/84/71/333148471.db2.gz YXMYKVDVHAMDMD-HZPDHXFCSA-N 2 1 262.441 3.500 20 0 CHADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000219390611 333148472 /nfs/dbraw/zinc/14/84/72/333148472.db2.gz YXMYKVDVHAMDMD-HZPDHXFCSA-N 2 1 262.441 3.500 20 0 CHADMP C[C@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1)C1CCSCC1 ZINC000187048469 333167818 /nfs/dbraw/zinc/16/78/18/333167818.db2.gz NTLFQUSHPQSZHS-GJZGRUSLSA-N 2 1 298.540 3.618 20 0 CHADMP C[C@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1)C1CCSCC1 ZINC000187048469 333167819 /nfs/dbraw/zinc/16/78/19/333167819.db2.gz NTLFQUSHPQSZHS-GJZGRUSLSA-N 2 1 298.540 3.618 20 0 CHADMP CCc1oc2ccccc2c1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000227374353 333282012 /nfs/dbraw/zinc/28/20/12/333282012.db2.gz VRCOAOYKZZFPEA-KBPBESRZSA-N 2 1 286.419 3.568 20 0 CHADMP CCc1oc2ccccc2c1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000227374353 333282013 /nfs/dbraw/zinc/28/20/13/333282013.db2.gz VRCOAOYKZZFPEA-KBPBESRZSA-N 2 1 286.419 3.568 20 0 CHADMP C[C@@H]1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000230406221 333317579 /nfs/dbraw/zinc/31/75/79/333317579.db2.gz OIQVJKOUFZAEPK-SJLPKXTDSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@H]1CCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000230657342 333319897 /nfs/dbraw/zinc/31/98/97/333319897.db2.gz SNCSHXXQMXSFPC-WMZOPIPTSA-N 2 1 286.463 3.677 20 0 CHADMP CC(C)[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000232699519 333340788 /nfs/dbraw/zinc/34/07/88/333340788.db2.gz YOYIZFFLNFJORF-LJQANCHMSA-N 2 1 286.463 3.643 20 0 CHADMP CCc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000524758761 333387349 /nfs/dbraw/zinc/38/73/49/333387349.db2.gz VDNGGUAELFMDSG-IBGZPJMESA-N 2 1 286.463 3.557 20 0 CHADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)s1)C[NH+]1CCCC1 ZINC000062078373 333541839 /nfs/dbraw/zinc/54/18/39/333541839.db2.gz CZYOIBVAZRSGNY-RYUDHWBXSA-N 2 1 286.872 3.784 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C(CC(C)C)CC(C)C ZINC000539068526 333654569 /nfs/dbraw/zinc/65/45/69/333654569.db2.gz BHHVFALSBMEVOW-OAHLLOKOSA-N 2 1 279.472 3.878 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000174773657 335166244 /nfs/dbraw/zinc/16/62/44/335166244.db2.gz BZNGTGBXMOHXEX-CJNGLKHVSA-N 2 1 280.843 3.502 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000174773657 335166245 /nfs/dbraw/zinc/16/62/45/335166245.db2.gz BZNGTGBXMOHXEX-CJNGLKHVSA-N 2 1 280.843 3.502 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000174773657 335166247 /nfs/dbraw/zinc/16/62/47/335166247.db2.gz BZNGTGBXMOHXEX-CJNGLKHVSA-N 2 1 280.843 3.502 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000545894223 334004765 /nfs/dbraw/zinc/00/47/65/334004765.db2.gz IUAPZRMYHLZCCW-CVEARBPZSA-N 2 1 282.431 3.784 20 0 CHADMP CCCC[C@H](CC)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000546930635 334055630 /nfs/dbraw/zinc/05/56/30/334055630.db2.gz KQYQNGCBZOSJPC-YESZJQIVSA-N 2 1 266.473 3.619 20 0 CHADMP CCCC[C@H](CC)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000546930635 334055631 /nfs/dbraw/zinc/05/56/31/334055631.db2.gz KQYQNGCBZOSJPC-YESZJQIVSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(F)c(F)c1 ZINC000546932679 334055953 /nfs/dbraw/zinc/05/59/53/334055953.db2.gz YZLOMSXWKOTMNY-CYBMUJFWSA-N 2 1 296.405 3.737 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C(C)(C)C)s1 ZINC000564324190 334100058 /nfs/dbraw/zinc/10/00/58/334100058.db2.gz FZHZGELWIQFXLH-UKRRQHHQSA-N 2 1 294.508 3.818 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C(C)(C)C)s1 ZINC000564324190 334100059 /nfs/dbraw/zinc/10/00/59/334100059.db2.gz FZHZGELWIQFXLH-UKRRQHHQSA-N 2 1 294.508 3.818 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(C(C)(C)C)s1 ZINC000564324190 334100061 /nfs/dbraw/zinc/10/00/61/334100061.db2.gz FZHZGELWIQFXLH-UKRRQHHQSA-N 2 1 294.508 3.818 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(C(C)(C)C)s1 ZINC000564324190 334100062 /nfs/dbraw/zinc/10/00/62/334100062.db2.gz FZHZGELWIQFXLH-UKRRQHHQSA-N 2 1 294.508 3.818 20 0 CHADMP C(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CCCC1 ZINC000134915945 334108267 /nfs/dbraw/zinc/10/82/67/334108267.db2.gz CCDMWHARMYHVBR-AEFFLSMTSA-N 2 1 276.468 3.515 20 0 CHADMP C(C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CCCC1 ZINC000134915945 334108269 /nfs/dbraw/zinc/10/82/69/334108269.db2.gz CCDMWHARMYHVBR-AEFFLSMTSA-N 2 1 276.468 3.515 20 0 CHADMP C(C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CCCC1 ZINC000134915945 334108270 /nfs/dbraw/zinc/10/82/70/334108270.db2.gz CCDMWHARMYHVBR-AEFFLSMTSA-N 2 1 276.468 3.515 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CC1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547826584 334123533 /nfs/dbraw/zinc/12/35/33/334123533.db2.gz HBWRLMVHAZRYCL-SZMVWBNQSA-N 2 1 286.463 3.533 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC000081516203 334193783 /nfs/dbraw/zinc/19/37/83/334193783.db2.gz PGBSUJGQNUZRHL-DLBZAZTESA-N 2 1 274.452 3.720 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000081516203 334193784 /nfs/dbraw/zinc/19/37/84/334193784.db2.gz PGBSUJGQNUZRHL-DLBZAZTESA-N 2 1 274.452 3.720 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000081516203 334193785 /nfs/dbraw/zinc/19/37/85/334193785.db2.gz PGBSUJGQNUZRHL-DLBZAZTESA-N 2 1 274.452 3.720 20 0 CHADMP C1=C[C@@H]([N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCCCC1 ZINC000549464166 334194691 /nfs/dbraw/zinc/19/46/91/334194691.db2.gz LEAPTGPBWSVOGO-MSOLQXFVSA-N 2 1 276.468 3.826 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(SC)cc2)C1 ZINC000245467803 334195527 /nfs/dbraw/zinc/19/55/27/334195527.db2.gz SNJMXKWEOCMGMS-CABCVRRESA-N 2 1 292.492 3.791 20 0 CHADMP Cc1ccccc1C(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000246945944 334272354 /nfs/dbraw/zinc/27/23/54/334272354.db2.gz IAFKTJFZJRWGAF-JFIYKMOQSA-N 2 1 288.479 3.591 20 0 CHADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000245559157 334203511 /nfs/dbraw/zinc/20/35/11/334203511.db2.gz LIPSRTIJZZDRDZ-HOTGVXAUSA-N 2 1 292.492 3.835 20 0 CHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000245559157 334203512 /nfs/dbraw/zinc/20/35/12/334203512.db2.gz LIPSRTIJZZDRDZ-HOTGVXAUSA-N 2 1 292.492 3.835 20 0 CHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000245559157 334203513 /nfs/dbraw/zinc/20/35/13/334203513.db2.gz LIPSRTIJZZDRDZ-HOTGVXAUSA-N 2 1 292.492 3.835 20 0 CHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000245559157 334203514 /nfs/dbraw/zinc/20/35/14/334203514.db2.gz LIPSRTIJZZDRDZ-HOTGVXAUSA-N 2 1 292.492 3.835 20 0 CHADMP C[C@H](c1ccccc1F)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246972231 334273188 /nfs/dbraw/zinc/27/31/88/334273188.db2.gz GSGYBYLHWORXLW-HZPDHXFCSA-N 2 1 290.426 3.837 20 0 CHADMP C[C@H](c1ccccc1F)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246972231 334273190 /nfs/dbraw/zinc/27/31/90/334273190.db2.gz GSGYBYLHWORXLW-HZPDHXFCSA-N 2 1 290.426 3.837 20 0 CHADMP CCCC[C@H](C)[N@H+](CCCC)CCn1cc[nH+]c1C ZINC000550370661 334221232 /nfs/dbraw/zinc/22/12/32/334221232.db2.gz UIRDSCPPQBIEQU-HNNXBMFYSA-N 2 1 265.445 3.872 20 0 CHADMP CCCC[C@H](C)[N@@H+](CCCC)CCn1cc[nH+]c1C ZINC000550370661 334221233 /nfs/dbraw/zinc/22/12/33/334221233.db2.gz UIRDSCPPQBIEQU-HNNXBMFYSA-N 2 1 265.445 3.872 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CCC(C)(C)C)C1 ZINC000551532666 334252943 /nfs/dbraw/zinc/25/29/43/334252943.db2.gz DFJXPEYYBUANBB-CABCVRRESA-N 2 1 254.462 3.523 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC(C)(C)c3ccccc32)CC[N@@H+]1C ZINC000245913186 334223873 /nfs/dbraw/zinc/22/38/73/334223873.db2.gz DOHWLYQXHONYAW-RKVPGOIHSA-N 2 1 286.463 3.871 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC(C)(C)c3ccccc32)CC[N@H+]1C ZINC000245913186 334223874 /nfs/dbraw/zinc/22/38/74/334223874.db2.gz DOHWLYQXHONYAW-RKVPGOIHSA-N 2 1 286.463 3.871 20 0 CHADMP CC(C)[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550666565 334226573 /nfs/dbraw/zinc/22/65/73/334226573.db2.gz ZOHVYSOKAHWVNP-NXHRZFHOSA-N 2 1 274.452 3.704 20 0 CHADMP CC(C)[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550666565 334226575 /nfs/dbraw/zinc/22/65/75/334226575.db2.gz ZOHVYSOKAHWVNP-NXHRZFHOSA-N 2 1 274.452 3.704 20 0 CHADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550976994 334235206 /nfs/dbraw/zinc/23/52/06/334235206.db2.gz NHICHBNLMJDWDM-XGXHKWSGSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550976994 334235207 /nfs/dbraw/zinc/23/52/07/334235207.db2.gz NHICHBNLMJDWDM-XGXHKWSGSA-N 2 1 286.463 3.990 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551008795 334236090 /nfs/dbraw/zinc/23/60/90/334236090.db2.gz ZFSOIJPKEIIFFZ-UOVPBQLFSA-N 2 1 274.452 3.846 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551008795 334236091 /nfs/dbraw/zinc/23/60/91/334236091.db2.gz ZFSOIJPKEIIFFZ-UOVPBQLFSA-N 2 1 274.452 3.846 20 0 CHADMP CC(C)C1(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000551087044 334238249 /nfs/dbraw/zinc/23/82/49/334238249.db2.gz LDOKMWWNLDCPPQ-MSOLQXFVSA-N 2 1 286.463 3.848 20 0 CHADMP CC(C)C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000551087044 334238250 /nfs/dbraw/zinc/23/82/50/334238250.db2.gz LDOKMWWNLDCPPQ-MSOLQXFVSA-N 2 1 286.463 3.848 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000247080357 334275149 /nfs/dbraw/zinc/27/51/49/334275149.db2.gz OVBOQTJATACSEQ-SPYBWZPUSA-N 2 1 284.447 3.699 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CC=C(C)CC2)cc1F ZINC000551270148 334244309 /nfs/dbraw/zinc/24/43/09/334244309.db2.gz LZYQFHCPCYKRHT-INIZCTEOSA-N 2 1 299.393 3.908 20 0 CHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3F)CC2)C1 ZINC000551309131 334246343 /nfs/dbraw/zinc/24/63/43/334246343.db2.gz ZPSWHTJVTYNZGZ-MXASKKJJSA-N 2 1 282.447 3.510 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000246270897 334247653 /nfs/dbraw/zinc/24/76/53/334247653.db2.gz ANKQHPLKUHSXKB-WMLDXEAASA-N 2 1 294.870 3.593 20 0 CHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+]([C@H]2C=CCCC2)C1 ZINC000246294893 334249105 /nfs/dbraw/zinc/24/91/05/334249105.db2.gz DPELGTRYVSRELT-KURKYZTESA-N 2 1 276.468 3.682 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000246294893 334249107 /nfs/dbraw/zinc/24/91/07/334249107.db2.gz DPELGTRYVSRELT-KURKYZTESA-N 2 1 276.468 3.682 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+]([C@H]2C=CCCC2)C1 ZINC000246294893 334249109 /nfs/dbraw/zinc/24/91/09/334249109.db2.gz DPELGTRYVSRELT-KURKYZTESA-N 2 1 276.468 3.682 20 0 CHADMP C(C[NH+]1CCCC1)C[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000551415589 334249656 /nfs/dbraw/zinc/24/96/56/334249656.db2.gz IFOMATUTOMJPIM-SFHVURJKSA-N 2 1 278.484 3.907 20 0 CHADMP Cc1ccc(C(C)(C)C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000247144702 334276369 /nfs/dbraw/zinc/27/63/69/334276369.db2.gz WKVOHVIFYUQUMF-SOLBZPMBSA-N 2 1 288.479 3.591 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccc2C)[C@@H](C)C1 ZINC000247149554 334276402 /nfs/dbraw/zinc/27/64/02/334276402.db2.gz WYSNBCJZGXICCU-WMZOPIPTSA-N 2 1 288.479 3.593 20 0 CHADMP CCc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000246861242 334270859 /nfs/dbraw/zinc/27/08/59/334270859.db2.gz CLZJTUYUXGSJKL-YJBOKZPZSA-N 2 1 288.479 3.599 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)C1 ZINC000246890603 334271427 /nfs/dbraw/zinc/27/14/27/334271427.db2.gz DSBLMZVARJDDFT-TWMKSMIVSA-N 2 1 266.473 3.521 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C(C)(C)C ZINC000247201928 334277346 /nfs/dbraw/zinc/27/73/46/334277346.db2.gz WIMCODQLABTLLZ-HUUCEWRRSA-N 2 1 254.462 3.665 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccoc1 ZINC000247225175 334277751 /nfs/dbraw/zinc/27/77/51/334277751.db2.gz XYIVZDQAKMXNGZ-LSDHHAIUSA-N 2 1 264.413 3.585 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000248135329 334295657 /nfs/dbraw/zinc/29/56/57/334295657.db2.gz XIXQHQXYKPJGBN-RTBURBONSA-N 2 1 286.463 3.740 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000248135329 334295658 /nfs/dbraw/zinc/29/56/58/334295658.db2.gz XIXQHQXYKPJGBN-RTBURBONSA-N 2 1 286.463 3.740 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248157352 334296188 /nfs/dbraw/zinc/29/61/88/334296188.db2.gz RNQSWNDTVRPTIZ-CGTJXYLNSA-N 2 1 290.426 3.693 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248157352 334296189 /nfs/dbraw/zinc/29/61/89/334296189.db2.gz RNQSWNDTVRPTIZ-CGTJXYLNSA-N 2 1 290.426 3.693 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248157352 334296190 /nfs/dbraw/zinc/29/61/90/334296190.db2.gz RNQSWNDTVRPTIZ-CGTJXYLNSA-N 2 1 290.426 3.693 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000249086014 334327149 /nfs/dbraw/zinc/32/71/49/334327149.db2.gz IVOUAYIJSVJHHE-QRQLOZEOSA-N 2 1 286.463 3.677 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCC23CCCC3)C1 ZINC000249127803 334328638 /nfs/dbraw/zinc/32/86/38/334328638.db2.gz ULUBGNVEPUJOCT-IRXDYDNUSA-N 2 1 278.484 3.667 20 0 CHADMP C[C@@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c1cccc(Cl)c1 ZINC000249201959 334330066 /nfs/dbraw/zinc/33/00/66/334330066.db2.gz UCMXKOQNWLREIR-GJZGRUSLSA-N 2 1 294.870 3.717 20 0 CHADMP C[C@@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000249201959 334330068 /nfs/dbraw/zinc/33/00/68/334330068.db2.gz UCMXKOQNWLREIR-GJZGRUSLSA-N 2 1 294.870 3.717 20 0 CHADMP C[C@@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000249201959 334330069 /nfs/dbraw/zinc/33/00/69/334330069.db2.gz UCMXKOQNWLREIR-GJZGRUSLSA-N 2 1 294.870 3.717 20 0 CHADMP Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000249997367 334342637 /nfs/dbraw/zinc/34/26/37/334342637.db2.gz AECZTRLHCMCOFI-VYDXJSESSA-N 2 1 290.838 3.544 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(Cl)c1 ZINC000250891244 334352814 /nfs/dbraw/zinc/35/28/14/334352814.db2.gz DOHVFYWEYFGBMT-RCBQFDQVSA-N 2 1 278.827 3.617 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)Cc2ccccc2)[C@H](C)C1 ZINC000090015893 334355648 /nfs/dbraw/zinc/35/56/48/334355648.db2.gz IMJJEJJLKQLKDT-AEFFLSMTSA-N 2 1 288.479 3.575 20 0 CHADMP Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000251091079 334356307 /nfs/dbraw/zinc/35/63/07/334356307.db2.gz WTHKJSLITBKRJU-SZMVWBNQSA-N 2 1 272.436 3.581 20 0 CHADMP Cc1cccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000251205170 334358172 /nfs/dbraw/zinc/35/81/72/334358172.db2.gz WGPFRQYEUVPRHV-WDSOQIARSA-N 2 1 286.463 3.533 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccccc2)C1 ZINC000090585854 334364210 /nfs/dbraw/zinc/36/42/10/334364210.db2.gz ADFAGGNTVKOWDP-IRXDYDNUSA-N 2 1 274.452 3.705 20 0 CHADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251608405 334365326 /nfs/dbraw/zinc/36/53/26/334365326.db2.gz DJNCNITVVJWAKN-QWQRMKEZSA-N 2 1 268.404 3.570 20 0 CHADMP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251747044 334368579 /nfs/dbraw/zinc/36/85/79/334368579.db2.gz QGSDNVAJAXYRGP-LOWVWBTDSA-N 2 1 284.806 3.599 20 0 CHADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251747044 334368580 /nfs/dbraw/zinc/36/85/80/334368580.db2.gz QGSDNVAJAXYRGP-LOWVWBTDSA-N 2 1 284.806 3.599 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000252732702 334387868 /nfs/dbraw/zinc/38/78/68/334387868.db2.gz WIFKKZDEDGMRFI-BZVDIIDJSA-N 2 1 292.854 3.516 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000252732702 334387869 /nfs/dbraw/zinc/38/78/69/334387869.db2.gz WIFKKZDEDGMRFI-BZVDIIDJSA-N 2 1 292.854 3.516 20 0 CHADMP CCC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccccn1 ZINC000158723977 334812138 /nfs/dbraw/zinc/81/21/38/334812138.db2.gz DYZQNTUONAFBDG-IRXDYDNUSA-N 2 1 289.467 3.634 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000165632322 334900930 /nfs/dbraw/zinc/90/09/30/334900930.db2.gz BGECIDLXRMMERZ-CABCVRRESA-N 2 1 277.456 3.776 20 0 CHADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000576436127 335203283 /nfs/dbraw/zinc/20/32/83/335203283.db2.gz LVZMISUGNBJXKC-NXHRZFHOSA-N 2 1 274.452 3.641 20 0 CHADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000576436127 335203285 /nfs/dbraw/zinc/20/32/85/335203285.db2.gz LVZMISUGNBJXKC-NXHRZFHOSA-N 2 1 274.452 3.641 20 0 CHADMP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000576692821 335235179 /nfs/dbraw/zinc/23/51/79/335235179.db2.gz LEINXIPPGXMXGV-MOPGFXCFSA-N 2 1 288.479 3.718 20 0 CHADMP CCCC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000344299711 335246413 /nfs/dbraw/zinc/24/64/13/335246413.db2.gz PLCMSIPGAKGPRJ-GOSISDBHSA-N 2 1 272.436 3.769 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000576907767 335262853 /nfs/dbraw/zinc/26/28/53/335262853.db2.gz PMDLPKKTKMKIQQ-NEWSRXKRSA-N 2 1 286.463 3.643 20 0 CHADMP CC1=CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000577394965 335347901 /nfs/dbraw/zinc/34/79/01/335347901.db2.gz HBULFIVSJOUFQF-RBUKOAKNSA-N 2 1 284.447 3.597 20 0 CHADMP Cc1cccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[nH+]1 ZINC000346239281 335359386 /nfs/dbraw/zinc/35/93/86/335359386.db2.gz PNYJFDOXWVPMRL-CRAIPNDOSA-N 2 1 295.430 3.713 20 0 CHADMP Cc1cccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)[nH+]1 ZINC000346239281 335359388 /nfs/dbraw/zinc/35/93/88/335359388.db2.gz PNYJFDOXWVPMRL-CRAIPNDOSA-N 2 1 295.430 3.713 20 0 CHADMP CC[C@H]1CCC[C@@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000577542788 335366550 /nfs/dbraw/zinc/36/65/50/335366550.db2.gz ITCVKVMOEVSNJK-IIQAOJFUSA-N 2 1 278.484 3.760 20 0 CHADMP CC[C@H]1CCC[C@@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000577542788 335366551 /nfs/dbraw/zinc/36/65/51/335366551.db2.gz ITCVKVMOEVSNJK-IIQAOJFUSA-N 2 1 278.484 3.760 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)C1CCCCC1 ZINC000177370758 335370976 /nfs/dbraw/zinc/37/09/76/335370976.db2.gz VCCULXFVMXISIH-AWEZNQCLSA-N 2 1 263.429 3.530 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000178697542 335445740 /nfs/dbraw/zinc/44/57/40/335445740.db2.gz SITDZNGQQUKCSL-OAGGEKHMSA-N 2 1 285.435 3.609 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CCc1ccc(C)cc1 ZINC000178695584 335445767 /nfs/dbraw/zinc/44/57/67/335445767.db2.gz LYROXRBOSRNPIU-DLBZAZTESA-N 2 1 299.462 3.747 20 0 CHADMP CC[C@H](Cc1ccc(C)cc1)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000178699312 335445941 /nfs/dbraw/zinc/44/59/41/335445941.db2.gz VKPXBRVYGVEBLZ-QFBILLFUSA-N 2 1 299.462 3.747 20 0 CHADMP CC1CC([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000381991422 336079817 /nfs/dbraw/zinc/07/98/17/336079817.db2.gz PDZWIMZQXICSLW-AVAKVYKDSA-N 2 1 286.463 3.677 20 0 CHADMP C([NH2+][C@@H]1CCCCC12CCCC2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000383737600 336117111 /nfs/dbraw/zinc/11/71/11/336117111.db2.gz ADNAIXZZBIWMTQ-NVXWUHKLSA-N 2 1 276.468 3.563 20 0 CHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc3ccccc3o2)CC1 ZINC000037786590 518708027 /nfs/dbraw/zinc/70/80/27/518708027.db2.gz IMVKKXPIFJOQEX-UHFFFAOYSA-N 2 1 286.419 3.785 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000289696418 519617988 /nfs/dbraw/zinc/61/79/88/519617988.db2.gz KFHHOSYLNTVQBC-HNNXBMFYSA-N 2 1 285.435 3.616 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000289696418 519617994 /nfs/dbraw/zinc/61/79/94/519617994.db2.gz KFHHOSYLNTVQBC-HNNXBMFYSA-N 2 1 285.435 3.616 20 0 CHADMP CC(C)c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000040746518 519835816 /nfs/dbraw/zinc/83/58/16/519835816.db2.gz KWWMQHSFNSFESJ-JWTNVVGKSA-N 2 1 272.436 3.525 20 0 CHADMP CCC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)F)c2)CC1 ZINC000279672349 519844088 /nfs/dbraw/zinc/84/40/88/519844088.db2.gz FNLYVODVYGZAOA-UHFFFAOYSA-N 2 1 296.405 3.930 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)F)c2)CC1 ZINC000279672349 519844090 /nfs/dbraw/zinc/84/40/90/519844090.db2.gz FNLYVODVYGZAOA-UHFFFAOYSA-N 2 1 296.405 3.930 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2ccc(F)cc2)C1 ZINC000151132732 519862096 /nfs/dbraw/zinc/86/20/96/519862096.db2.gz GWGZSWRBERPTLQ-YOEHRIQHSA-N 2 1 278.415 3.598 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC000280173480 521582591 /nfs/dbraw/zinc/58/25/91/521582591.db2.gz GFDMJSFDQHUDAN-QAPCUYQASA-N 2 1 290.426 3.536 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)Sc3sccc32)C1 ZINC000130351565 521717608 /nfs/dbraw/zinc/71/76/08/521717608.db2.gz PXDPUMRDVMYDQR-OUCADQQQSA-N 2 1 296.505 3.605 20 0 CHADMP CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000088163871 522561781 /nfs/dbraw/zinc/56/17/81/522561781.db2.gz NNDZBMFBFDMWMQ-FBVQUNGASA-N 2 1 272.436 3.743 20 0 CHADMP CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000088163871 522561786 /nfs/dbraw/zinc/56/17/86/522561786.db2.gz NNDZBMFBFDMWMQ-FBVQUNGASA-N 2 1 272.436 3.743 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1cccc(Cl)c1F ZINC000161582894 522618067 /nfs/dbraw/zinc/61/80/67/522618067.db2.gz KBADQAPVVQFURU-WFASDCNBSA-N 2 1 298.833 3.862 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cccc(Cl)c1F ZINC000161582894 522618074 /nfs/dbraw/zinc/61/80/74/522618074.db2.gz KBADQAPVVQFURU-WFASDCNBSA-N 2 1 298.833 3.862 20 0 CHADMP Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000130347863 524472317 /nfs/dbraw/zinc/47/23/17/524472317.db2.gz WTHKJSLITBKRJU-RYQLBKOJSA-N 2 1 272.436 3.581 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc2sccc2c1 ZINC000289904398 524916000 /nfs/dbraw/zinc/91/60/00/524916000.db2.gz UDCNXSXOESJBNS-IOASZLSFSA-N 2 1 288.460 3.720 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000037140854 525292726 /nfs/dbraw/zinc/29/27/26/525292726.db2.gz UOEHLFKOSQSEHO-LBPRGKRZSA-N 2 1 278.827 3.617 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cc2ccccc2o1 ZINC000279020125 525397414 /nfs/dbraw/zinc/39/74/14/525397414.db2.gz USLARCKGWDOKIF-KBPBESRZSA-N 2 1 295.386 3.543 20 0 CHADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157268161 525420102 /nfs/dbraw/zinc/42/01/02/525420102.db2.gz XMZUCWAPIAIUSZ-KKXDTOCCSA-N 2 1 266.388 3.790 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)CC[N@@H+]1C ZINC000280965808 525448133 /nfs/dbraw/zinc/44/81/33/525448133.db2.gz KXRYBUDIOXOPTD-HUHSQHJXSA-N 2 1 290.426 3.534 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)CC[N@H+]1C ZINC000280965808 525448140 /nfs/dbraw/zinc/44/81/40/525448140.db2.gz KXRYBUDIOXOPTD-HUHSQHJXSA-N 2 1 290.426 3.534 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)c(Cl)c1 ZINC000037648956 525483277 /nfs/dbraw/zinc/48/32/77/525483277.db2.gz SMASBJYSNAIHSV-NEPJUHHUSA-N 2 1 296.817 3.614 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)s1 ZINC000088164249 525918087 /nfs/dbraw/zinc/91/80/87/525918087.db2.gz VJIRZRITLXGLGP-AVOUXACISA-N 2 1 278.465 3.722 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1F ZINC000227542281 525941158 /nfs/dbraw/zinc/94/11/58/525941158.db2.gz SOAJISNWSGOURX-JBBXEZCESA-N 2 1 284.378 3.930 20 0 CHADMP c1cc(C2CCC2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339189590 526417211 /nfs/dbraw/zinc/41/72/11/526417211.db2.gz LEKFOYHDXTVZDR-MOPGFXCFSA-N 2 1 284.447 3.671 20 0 CHADMP c1[nH+]c(C2CC[NH+](C[C@@H]3CC=CCC3)CC2)n2c1CCCC2 ZINC000279364429 526595839 /nfs/dbraw/zinc/59/58/39/526595839.db2.gz HLITZIATEFPHOW-MRXNPFEDSA-N 2 1 299.462 3.755 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000268869842 527422949 /nfs/dbraw/zinc/42/29/49/527422949.db2.gz OOOZTMCNMMALQX-NSHDSACASA-N 2 1 295.789 3.725 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000339240109 527439109 /nfs/dbraw/zinc/43/91/09/527439109.db2.gz NSWAUTLZJTVODQ-HNNXBMFYSA-N 2 1 297.446 3.885 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2coc3ccccc23)C[C@@H]1C ZINC000353741207 527756040 /nfs/dbraw/zinc/75/60/40/527756040.db2.gz REVORZAAEAJRGM-GOEBONIOSA-N 2 1 286.419 3.737 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2coc3ccccc23)C[C@@H]1C ZINC000353741207 527756044 /nfs/dbraw/zinc/75/60/44/527756044.db2.gz REVORZAAEAJRGM-GOEBONIOSA-N 2 1 286.419 3.737 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2coc3ccccc23)C[C@@H]1C ZINC000353741207 527756050 /nfs/dbraw/zinc/75/60/50/527756050.db2.gz REVORZAAEAJRGM-GOEBONIOSA-N 2 1 286.419 3.737 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2coc3ccccc23)C[C@@H]1C ZINC000353741207 527756053 /nfs/dbraw/zinc/75/60/53/527756053.db2.gz REVORZAAEAJRGM-GOEBONIOSA-N 2 1 286.419 3.737 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3occc3c2)C[C@H]1C ZINC000347862561 527756851 /nfs/dbraw/zinc/75/68/51/527756851.db2.gz LQLLGZWKCGJTBK-RHSMWYFYSA-N 2 1 286.419 3.737 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc3occc3c2)C[C@H]1C ZINC000347862561 527756854 /nfs/dbraw/zinc/75/68/54/527756854.db2.gz LQLLGZWKCGJTBK-RHSMWYFYSA-N 2 1 286.419 3.737 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc3occc3c2)C[C@H]1C ZINC000347862561 527756860 /nfs/dbraw/zinc/75/68/60/527756860.db2.gz LQLLGZWKCGJTBK-RHSMWYFYSA-N 2 1 286.419 3.737 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3ccccc3o2)C[C@H]1C ZINC000353748691 527833953 /nfs/dbraw/zinc/83/39/53/527833953.db2.gz CPLSGDGDVGTBLN-ZBFHGGJFSA-N 2 1 286.419 3.737 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3ccccc3o2)C[C@H]1C ZINC000353748691 527833958 /nfs/dbraw/zinc/83/39/58/527833958.db2.gz CPLSGDGDVGTBLN-ZBFHGGJFSA-N 2 1 286.419 3.737 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3ccccc3o2)C[C@H]1C ZINC000353748691 527833961 /nfs/dbraw/zinc/83/39/61/527833961.db2.gz CPLSGDGDVGTBLN-ZBFHGGJFSA-N 2 1 286.419 3.737 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3ccccc3o2)C[C@H]1C ZINC000353748691 527833966 /nfs/dbraw/zinc/83/39/66/527833966.db2.gz CPLSGDGDVGTBLN-ZBFHGGJFSA-N 2 1 286.419 3.737 20 0 CHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc3occc3c2)C1 ZINC000347858893 527837874 /nfs/dbraw/zinc/83/78/74/527837874.db2.gz POSPXHUEBVJUQE-INIZCTEOSA-N 2 1 286.419 3.597 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3occc3c2)C1 ZINC000347858893 527837882 /nfs/dbraw/zinc/83/78/82/527837882.db2.gz POSPXHUEBVJUQE-INIZCTEOSA-N 2 1 286.419 3.597 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3occc3c2)C1 ZINC000347858893 527837889 /nfs/dbraw/zinc/83/78/89/527837889.db2.gz POSPXHUEBVJUQE-INIZCTEOSA-N 2 1 286.419 3.597 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3occc3c2)C1 ZINC000347858893 527837895 /nfs/dbraw/zinc/83/78/95/527837895.db2.gz POSPXHUEBVJUQE-INIZCTEOSA-N 2 1 286.419 3.597 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc3occc3c2)CC1 ZINC000347672922 528195208 /nfs/dbraw/zinc/19/52/08/528195208.db2.gz RUGBYNFIZRXQMJ-UHFFFAOYSA-N 2 1 286.419 3.739 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)c2cccc(C)c2)C1 ZINC000353525332 528261515 /nfs/dbraw/zinc/26/15/15/528261515.db2.gz YINCEHORGCMJOV-AEFFLSMTSA-N 2 1 274.452 3.768 20 0 CHADMP CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192930240 528971197 /nfs/dbraw/zinc/97/11/97/528971197.db2.gz NOWSEDUHSGJZLE-ROUUACIJSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C1(C)CC1 ZINC000126871507 1125457503 /nfs/dbraw/zinc/45/75/03/1125457503.db2.gz UMTULRGNTZTJRK-LSDHHAIUSA-N 2 1 292.492 3.738 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1(C)CC1 ZINC000126871507 1125457504 /nfs/dbraw/zinc/45/75/04/1125457504.db2.gz UMTULRGNTZTJRK-LSDHHAIUSA-N 2 1 292.492 3.738 20 0 CHADMP C[N@H+](CC[NH2+][C@H]1CCC[C@@H]1CCCF)C1CCCCC1 ZINC000510731037 1118804842 /nfs/dbraw/zinc/80/48/42/1118804842.db2.gz FBIRFIZLKCIMCD-WBVHZDCISA-N 2 1 284.463 3.759 20 0 CHADMP C[N@@H+](CC[NH2+][C@H]1CCC[C@@H]1CCCF)C1CCCCC1 ZINC000510731037 1118804845 /nfs/dbraw/zinc/80/48/45/1118804845.db2.gz FBIRFIZLKCIMCD-WBVHZDCISA-N 2 1 284.463 3.759 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000583288790 1119335350 /nfs/dbraw/zinc/33/53/50/1119335350.db2.gz RMNRTEYGYZILJO-HZPDHXFCSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)C[C@H]1C ZINC000251760323 1125500561 /nfs/dbraw/zinc/50/05/61/1125500561.db2.gz KEOASSPXFQHIME-VQHPVUNQSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1oc2ccccc2c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000132215870 1125501320 /nfs/dbraw/zinc/50/13/20/1125501320.db2.gz GNRRURBVEVAWPZ-UHFFFAOYSA-N 2 1 286.419 3.515 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)s1 ZINC000414172582 1119926579 /nfs/dbraw/zinc/92/65/79/1119926579.db2.gz FMCVAOCRNVDJKY-NWDGAFQWSA-N 2 1 286.872 3.784 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCSC2CCCCC2)C[C@H]1C ZINC000500093427 1120508425 /nfs/dbraw/zinc/50/84/25/1120508425.db2.gz SGQOYUCSZTYTOO-CVEARBPZSA-N 2 1 298.540 3.857 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCSC2CCCCC2)C[C@H]1C ZINC000500093427 1120508430 /nfs/dbraw/zinc/50/84/30/1120508430.db2.gz SGQOYUCSZTYTOO-CVEARBPZSA-N 2 1 298.540 3.857 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCSC2CCCCC2)C[C@H]1C ZINC000500093427 1120508434 /nfs/dbraw/zinc/50/84/34/1120508434.db2.gz SGQOYUCSZTYTOO-CVEARBPZSA-N 2 1 298.540 3.857 20 0 CHADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCC1CCCCC1 ZINC000703241936 1121242723 /nfs/dbraw/zinc/24/27/23/1121242723.db2.gz QXDCJDWMQCBXQV-ALOPSCKCSA-N 2 1 264.457 3.691 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000501145967 1121956324 /nfs/dbraw/zinc/95/63/24/1121956324.db2.gz ZPCUDPJVFWUGFQ-UHFFFAOYSA-N 2 1 268.832 3.504 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000535468046 1123101110 /nfs/dbraw/zinc/10/11/10/1123101110.db2.gz HZEBREHBTHCCDK-CVEARBPZSA-N 2 1 266.473 3.619 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000535468046 1123101112 /nfs/dbraw/zinc/10/11/12/1123101112.db2.gz HZEBREHBTHCCDK-CVEARBPZSA-N 2 1 266.473 3.619 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000535468046 1123101114 /nfs/dbraw/zinc/10/11/14/1123101114.db2.gz HZEBREHBTHCCDK-CVEARBPZSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+][C@@H]1CCC12CCCC2 ZINC000474065842 1123409453 /nfs/dbraw/zinc/40/94/53/1123409453.db2.gz ZSHUCJJLFLGQRA-JKSUJKDBSA-N 2 1 264.457 3.563 20 0 CHADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C1CCSCC1 ZINC000474868042 1123605544 /nfs/dbraw/zinc/60/55/44/1123605544.db2.gz KBEPXNRXDPQJRS-NVXWUHKLSA-N 2 1 298.540 3.618 20 0 CHADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623400575 1124895051 /nfs/dbraw/zinc/89/50/51/1124895051.db2.gz YIEFEFZTRLCMSA-PMPSAXMXSA-N 2 1 266.473 3.664 20 0 CHADMP C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C1CCCC1 ZINC000121815158 1125156989 /nfs/dbraw/zinc/15/69/89/1125156989.db2.gz WNZGXCACGMCBSF-KRWDZBQOSA-N 2 1 264.457 3.517 20 0 CHADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246551785 1131609202 /nfs/dbraw/zinc/60/92/02/1131609202.db2.gz RDMLKPKBVNIGOQ-XHSDSOJGSA-N 2 1 272.452 3.600 20 0 CHADMP CC(C)CCC[C@@H](C)[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246615767 1131719474 /nfs/dbraw/zinc/71/94/74/1131719474.db2.gz SPZYCHUISSBRKQ-IAGOWNOFSA-N 2 1 266.473 3.809 20 0 CHADMP CC(C)CCC[C@@H](C)[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246615767 1131719479 /nfs/dbraw/zinc/71/94/79/1131719479.db2.gz SPZYCHUISSBRKQ-IAGOWNOFSA-N 2 1 266.473 3.809 20 0 CHADMP CSC(C)(C)C[C@H](C)[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001246645649 1131772983 /nfs/dbraw/zinc/77/29/83/1131772983.db2.gz NWGGORIITZGXMG-HOCLYGCPSA-N 2 1 298.540 3.761 20 0 CHADMP CCCC[C@H](CC(C)C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001173250824 1132420420 /nfs/dbraw/zinc/42/04/20/1132420420.db2.gz VUHAKEGSLMJPFF-JKSUJKDBSA-N 2 1 254.462 3.665 20 0 CHADMP CC[N@H+](Cc1cccs1)CC1(C[NH+](C)C)CCCC1 ZINC001208187154 1133903045 /nfs/dbraw/zinc/90/30/45/1133903045.db2.gz HMQGFMUSKWNQFZ-UHFFFAOYSA-N 2 1 280.481 3.692 20 0 CHADMP CC[N@@H+](Cc1cccs1)CC1(C[NH+](C)C)CCCC1 ZINC001208187154 1133903050 /nfs/dbraw/zinc/90/30/50/1133903050.db2.gz HMQGFMUSKWNQFZ-UHFFFAOYSA-N 2 1 280.481 3.692 20 0 CHADMP C[C@@H](CC[N@H+]1CCC[C@@]12CCC[NH2+]C2)CC(C)(C)C ZINC001222232319 1135211476 /nfs/dbraw/zinc/21/14/76/1135211476.db2.gz UXMSJFJFCIHRBD-DOTOQJQBSA-N 2 1 266.473 3.667 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001226786271 1135741028 /nfs/dbraw/zinc/74/10/28/1135741028.db2.gz YNTDAXWGWAKYRN-QGZVFWFLSA-N 2 1 278.484 3.977 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(C)(C)c1ccccc1 ZINC000119647569 1125536398 /nfs/dbraw/zinc/53/63/98/1125536398.db2.gz STMYCLANSAPVFI-HNNXBMFYSA-N 2 1 286.463 3.569 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[C@@H](C)C2)c1 ZINC000236667173 1125559167 /nfs/dbraw/zinc/55/91/67/1125559167.db2.gz GQULSBUIIUMFJC-QAPCUYQASA-N 2 1 274.452 3.805 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(SC)cc2)[C@@H](C)C1 ZINC000245444069 1125574389 /nfs/dbraw/zinc/57/43/89/1125574389.db2.gz XTTHDYXQRXGRAP-WMLDXEAASA-N 2 1 292.492 3.571 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(SC)cc2)[C@@H](C)C1 ZINC000245444069 1125574392 /nfs/dbraw/zinc/57/43/92/1125574392.db2.gz XTTHDYXQRXGRAP-WMLDXEAASA-N 2 1 292.492 3.571 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(SC)cc2)[C@@H](C)C1 ZINC000245444069 1125574395 /nfs/dbraw/zinc/57/43/95/1125574395.db2.gz XTTHDYXQRXGRAP-WMLDXEAASA-N 2 1 292.492 3.571 20 0 CHADMP Cc1nccn1CCCC[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000245713803 1125590492 /nfs/dbraw/zinc/59/04/92/1125590492.db2.gz TUPMQOUHOHHIEG-VQIMIIECSA-N 2 1 297.446 3.850 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000245713803 1125590499 /nfs/dbraw/zinc/59/04/99/1125590499.db2.gz TUPMQOUHOHHIEG-VQIMIIECSA-N 2 1 297.446 3.850 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000245713803 1125590505 /nfs/dbraw/zinc/59/05/05/1125590505.db2.gz TUPMQOUHOHHIEG-VQIMIIECSA-N 2 1 297.446 3.850 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000533564952 1125615775 /nfs/dbraw/zinc/61/57/75/1125615775.db2.gz LSZYFQZVJOQBQL-HOCLYGCPSA-N 2 1 277.456 3.634 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccs2)C1 ZINC000246924285 1125654237 /nfs/dbraw/zinc/65/42/37/1125654237.db2.gz GOSYTVGMNNQIAY-ZIAGYGMSSA-N 2 1 266.454 3.519 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cncc(F)c1 ZINC000247199309 1125655058 /nfs/dbraw/zinc/65/50/58/1125655058.db2.gz WFVXOXYNENSBMV-HUUCEWRRSA-N 2 1 293.430 3.526 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccs2)C1 ZINC000246924265 1125655096 /nfs/dbraw/zinc/65/50/96/1125655096.db2.gz GOSYTVGMNNQIAY-KGLIPLIRSA-N 2 1 266.454 3.519 20 0 CHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CC(C)(C)Cc3occc32)C1 ZINC000247253217 1125655379 /nfs/dbraw/zinc/65/53/79/1125655379.db2.gz ZUPJRJLMWGMVEI-HOCLYGCPSA-N 2 1 290.451 3.615 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CC(C)(C)Cc3occc32)C1 ZINC000247253217 1125655384 /nfs/dbraw/zinc/65/53/84/1125655384.db2.gz ZUPJRJLMWGMVEI-HOCLYGCPSA-N 2 1 290.451 3.615 20 0 CHADMP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC000162160061 1125738534 /nfs/dbraw/zinc/73/85/34/1125738534.db2.gz RMAHXALYIROUOU-IBGZPJMESA-N 2 1 286.463 3.738 20 0 CHADMP CC[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CC[C@H]1c1ccccc1 ZINC000261747783 1125741277 /nfs/dbraw/zinc/74/12/77/1125741277.db2.gz JGZQIJMMIOQLFG-BHIYHBOVSA-N 2 1 286.463 3.502 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261769215 1125742339 /nfs/dbraw/zinc/74/23/39/1125742339.db2.gz MLWKRTOIMZOASO-JJRVBVJISA-N 2 1 294.870 3.763 20 0 CHADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC000261856833 1125745476 /nfs/dbraw/zinc/74/54/76/1125745476.db2.gz RXLCKZLRSPFNAM-IBGZPJMESA-N 2 1 280.415 3.524 20 0 CHADMP CCC[N@@H+](Cc1ccc2nc(C)ccc2c1)C1CC[NH2+]CC1 ZINC000261952006 1125747074 /nfs/dbraw/zinc/74/70/74/1125747074.db2.gz ODCGFGUMNIOMBE-UHFFFAOYSA-N 2 1 297.446 3.507 20 0 CHADMP CC(C)[N@@H+](Cc1cccc(Cl)c1)C[C@]1(C)CC[NH2+]C1 ZINC000261933969 1125747397 /nfs/dbraw/zinc/74/73/97/1125747397.db2.gz DAYNCPWMPSSHSP-MRXNPFEDSA-N 2 1 280.843 3.550 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)cc(Cl)c2)[C@H](C)C1 ZINC000508726520 1125784993 /nfs/dbraw/zinc/78/49/93/1125784993.db2.gz JHXORUCWGKQYIX-PBHICJAKSA-N 2 1 294.870 3.811 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)cc(Cl)c2)[C@H](C)C1 ZINC000508726520 1125784997 /nfs/dbraw/zinc/78/49/97/1125784997.db2.gz JHXORUCWGKQYIX-PBHICJAKSA-N 2 1 294.870 3.811 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)cc(Cl)c2)[C@H](C)C1 ZINC000508726520 1125785000 /nfs/dbraw/zinc/78/50/00/1125785000.db2.gz JHXORUCWGKQYIX-PBHICJAKSA-N 2 1 294.870 3.811 20 0 CHADMP Cc1cc(Cl)cc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000508732270 1125785119 /nfs/dbraw/zinc/78/51/19/1125785119.db2.gz GINZCXKXPKBGKJ-CJNGLKHVSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(Cl)cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000508732270 1125785126 /nfs/dbraw/zinc/78/51/26/1125785126.db2.gz GINZCXKXPKBGKJ-CJNGLKHVSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(Cl)cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000508732270 1125785129 /nfs/dbraw/zinc/78/51/29/1125785129.db2.gz GINZCXKXPKBGKJ-CJNGLKHVSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(Cl)cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000508732270 1125785134 /nfs/dbraw/zinc/78/51/34/1125785134.db2.gz GINZCXKXPKBGKJ-CJNGLKHVSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(Cl)cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000508732270 1125785140 /nfs/dbraw/zinc/78/51/40/1125785140.db2.gz GINZCXKXPKBGKJ-CJNGLKHVSA-N 2 1 280.843 3.563 20 0 CHADMP C1CC(=C2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)C1 ZINC000638378391 1129256138 /nfs/dbraw/zinc/25/61/38/1129256138.db2.gz WLKBDXATNPJJFU-ZWKOTPCHSA-N 2 1 274.452 3.626 20 0 CHADMP CC(C)CCC[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001170067750 1130130372 /nfs/dbraw/zinc/13/03/72/1130130372.db2.gz CEUNMYUCVGUSDY-WCXIOVBPSA-N 2 1 266.473 3.806 20 0 CHADMP CC(C)CCC[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001170067750 1130130374 /nfs/dbraw/zinc/13/03/74/1130130374.db2.gz CEUNMYUCVGUSDY-WCXIOVBPSA-N 2 1 266.473 3.806 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[C@H]2C2CCC2)c1 ZINC000337990114 1126706652 /nfs/dbraw/zinc/70/66/52/1126706652.db2.gz CBCWLHOYZQPEMC-OALUTQOASA-N 2 1 286.463 3.807 20 0 CHADMP C[N@@H+]1CCC[C@@H]([NH2+]C(C)(C)c2ccccc2Cl)CC1 ZINC001254507087 1130258381 /nfs/dbraw/zinc/25/83/81/1130258381.db2.gz FQRIDKILIBKLKS-CYBMUJFWSA-N 2 1 280.843 3.649 20 0 CHADMP C[N@H+]1CCC[C@@H]([NH2+]C(C)(C)c2ccccc2Cl)CC1 ZINC001254507087 1130258385 /nfs/dbraw/zinc/25/83/85/1130258385.db2.gz FQRIDKILIBKLKS-CYBMUJFWSA-N 2 1 280.843 3.649 20 0 CHADMP CCCc1cccc(C[N@@H+](C)C2CCN(CC)CC2)c1 ZINC000481909984 1126734839 /nfs/dbraw/zinc/73/48/39/1126734839.db2.gz KIFIDUMHNMQQQA-UHFFFAOYSA-N 2 1 274.452 3.555 20 0 CHADMP CCCc1cccc(C[N@@H+](C)C2CC[NH+](CC)CC2)c1 ZINC000481909984 1126734844 /nfs/dbraw/zinc/73/48/44/1126734844.db2.gz KIFIDUMHNMQQQA-UHFFFAOYSA-N 2 1 274.452 3.555 20 0 CHADMP Cc1nccn1CCCC[N@H+](C)[C@@H](C)C1CCCCC1 ZINC000338348099 1126736902 /nfs/dbraw/zinc/73/69/02/1126736902.db2.gz YBIWFPWACDDWMA-HNNXBMFYSA-N 2 1 277.456 3.872 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](C)C1CCCCC1 ZINC000338348099 1126736904 /nfs/dbraw/zinc/73/69/04/1126736904.db2.gz YBIWFPWACDDWMA-HNNXBMFYSA-N 2 1 277.456 3.872 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](C)C1CCCCC1 ZINC000338348099 1126736906 /nfs/dbraw/zinc/73/69/06/1126736906.db2.gz YBIWFPWACDDWMA-HNNXBMFYSA-N 2 1 277.456 3.872 20 0 CHADMP CC(C)c1ccc(CCC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000483181050 1126771759 /nfs/dbraw/zinc/77/17/59/1126771759.db2.gz KOWLLPDMSHSONL-VQIMIIECSA-N 2 1 288.479 3.672 20 0 CHADMP C(CC1CCCC1)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000483232818 1126774960 /nfs/dbraw/zinc/77/49/60/1126774960.db2.gz SMNMEVWPYUVJTM-SFHVURJKSA-N 2 1 278.484 3.765 20 0 CHADMP CC(C)[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000483733653 1126798928 /nfs/dbraw/zinc/79/89/28/1126798928.db2.gz VSZIMDLUWJKJQC-NEWSRXKRSA-N 2 1 288.479 3.716 20 0 CHADMP CC(C)[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000483733653 1126798931 /nfs/dbraw/zinc/79/89/31/1126798931.db2.gz VSZIMDLUWJKJQC-NEWSRXKRSA-N 2 1 288.479 3.716 20 0 CHADMP CC(C)[NH+](CCC[NH2+][C@@H](C)c1cccc(F)c1)C(C)C ZINC000483856535 1126804222 /nfs/dbraw/zinc/80/42/22/1126804222.db2.gz SCAAHBLFEQTYDW-HNNXBMFYSA-N 2 1 280.431 3.985 20 0 CHADMP CC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccc(F)cc1 ZINC000178705609 1126819028 /nfs/dbraw/zinc/81/90/28/1126819028.db2.gz YIQKYNZTBYGHOD-SUMWQHHRSA-N 2 1 289.398 3.708 20 0 CHADMP c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)co1 ZINC000180113047 1126839254 /nfs/dbraw/zinc/83/92/54/1126839254.db2.gz SZIWEBQEJQLNTJ-YQQQUEKLSA-N 2 1 296.414 3.565 20 0 CHADMP c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)co1 ZINC000180113047 1126839258 /nfs/dbraw/zinc/83/92/58/1126839258.db2.gz SZIWEBQEJQLNTJ-YQQQUEKLSA-N 2 1 296.414 3.565 20 0 CHADMP [NH3+][C@H](C[NH2+][C@H]1CCC[C@H](c2ccccc2)CC1)CC(F)F ZINC000904470624 1126853702 /nfs/dbraw/zinc/85/37/02/1126853702.db2.gz ZQLVPMZIDWGMPM-JYJNAYRXSA-N 2 1 296.405 3.675 20 0 CHADMP c1ccc(CC2CC[NH+]([C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000183366019 1126885473 /nfs/dbraw/zinc/88/54/73/1126885473.db2.gz ZSYGXNJONAHAOH-UXHICEINSA-N 2 1 298.474 3.568 20 0 CHADMP CCC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1cccnc1 ZINC000185357837 1126899550 /nfs/dbraw/zinc/89/95/50/1126899550.db2.gz RJWFYQCKLYMQBD-AEFFLSMTSA-N 2 1 289.467 3.633 20 0 CHADMP C(CC1CCCC1)C[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235175801 1130719242 /nfs/dbraw/zinc/71/92/42/1130719242.db2.gz XUSLNWFPKWQOHW-KRWDZBQOSA-N 2 1 264.457 3.565 20 0 CHADMP CCC[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1cccnc1 ZINC000184972589 1126897085 /nfs/dbraw/zinc/89/70/85/1126897085.db2.gz MDTUJTJGZGIJFY-SFHVURJKSA-N 2 1 289.467 3.633 20 0 CHADMP CC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1cccc(F)c1 ZINC000187957802 1126917392 /nfs/dbraw/zinc/91/73/92/1126917392.db2.gz BGZUZCVIXRNBCZ-DYVFJYSZSA-N 2 1 289.398 3.708 20 0 CHADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(F)cc(Cl)c2)[C@H](C)C1 ZINC000485686056 1126942934 /nfs/dbraw/zinc/94/29/34/1126942934.db2.gz RKSUTVDTQIUMGI-WBMJQRKESA-N 2 1 298.833 3.641 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)cc(Cl)c2)[C@H](C)C1 ZINC000485686056 1126942938 /nfs/dbraw/zinc/94/29/38/1126942938.db2.gz RKSUTVDTQIUMGI-WBMJQRKESA-N 2 1 298.833 3.641 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)cc(Cl)c2)[C@H](C)C1 ZINC000485686056 1126942940 /nfs/dbraw/zinc/94/29/40/1126942940.db2.gz RKSUTVDTQIUMGI-WBMJQRKESA-N 2 1 298.833 3.641 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)cc(Cl)c2)[C@H](C)C1 ZINC000485686056 1126942942 /nfs/dbraw/zinc/94/29/42/1126942942.db2.gz RKSUTVDTQIUMGI-WBMJQRKESA-N 2 1 298.833 3.641 20 0 CHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2csc(Cl)c2)C1 ZINC000191201154 1126949312 /nfs/dbraw/zinc/94/93/12/1126949312.db2.gz JLZJLIOQMWULTP-RYUDHWBXSA-N 2 1 286.872 3.784 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2csc(Cl)c2)C1 ZINC000191201154 1126949317 /nfs/dbraw/zinc/94/93/17/1126949317.db2.gz JLZJLIOQMWULTP-RYUDHWBXSA-N 2 1 286.872 3.784 20 0 CHADMP CC(C)c1cccc(C[N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236224322 1130897900 /nfs/dbraw/zinc/89/79/00/1130897900.db2.gz SVRUEKQFUFAEGV-QAQDUYKDSA-N 2 1 260.425 3.512 20 0 CHADMP C(C1CC1)[NH+]1CCC([N@H+]2CCCC3(CCCC3)C2)CC1 ZINC001168371758 1127007484 /nfs/dbraw/zinc/00/74/84/1127007484.db2.gz HPAYYYXBEVSNRJ-UHFFFAOYSA-N 2 1 276.468 3.517 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(C)c(C)cc1C ZINC000237531590 1127008965 /nfs/dbraw/zinc/00/89/65/1127008965.db2.gz GPZZBLIGPGUMCM-CYBMUJFWSA-N 2 1 285.435 3.543 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)[C@@H]1CC1(C)C ZINC000486952388 1127011684 /nfs/dbraw/zinc/01/16/84/1127011684.db2.gz XYQCAGDTNOWUDL-PMPSAXMXSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CC1(C)C ZINC000486952386 1127012276 /nfs/dbraw/zinc/01/22/76/1127012276.db2.gz XYQCAGDTNOWUDL-JYJNAYRXSA-N 2 1 266.473 3.665 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)s1 ZINC000268772770 1127023335 /nfs/dbraw/zinc/02/33/35/1127023335.db2.gz AAJIMUXFJLBXLF-LBPRGKRZSA-N 2 1 277.437 3.556 20 0 CHADMP CC/C=C\CC[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236566773 1130976678 /nfs/dbraw/zinc/97/66/78/1130976678.db2.gz LHUALNOTXRMFMN-QAUKZDODSA-N 2 1 264.457 3.857 20 0 CHADMP Cc1cncc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000274338620 1127113206 /nfs/dbraw/zinc/11/32/06/1127113206.db2.gz AHAMCAVECNEIMS-IAGOWNOFSA-N 2 1 289.467 3.695 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC[C@@H](C)F)C2)s1 ZINC000570971003 1127151334 /nfs/dbraw/zinc/15/13/34/1127151334.db2.gz XKRYHJGFPFGIBI-UKRRQHHQSA-N 2 1 298.471 3.558 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC[C@@H](C)F)C2)s1 ZINC000570971003 1127151337 /nfs/dbraw/zinc/15/13/37/1127151337.db2.gz XKRYHJGFPFGIBI-UKRRQHHQSA-N 2 1 298.471 3.558 20 0 CHADMP C(C1CC1)[NH+]1CCC([NH+]2CCC3(CCCC3)CC2)CC1 ZINC001168378817 1127160995 /nfs/dbraw/zinc/16/09/95/1127160995.db2.gz VWUHNJBQPWCMLY-UHFFFAOYSA-N 2 1 276.468 3.517 20 0 CHADMP [NH3+]CCC1CC[NH+](Cc2csc(Cl)c2Cl)CC1 ZINC000571809015 1127178372 /nfs/dbraw/zinc/17/83/72/1127178372.db2.gz SWUSIRGCSBSEAF-UHFFFAOYSA-N 2 1 293.263 3.616 20 0 CHADMP C[C@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)C1CCCCC1 ZINC000571943174 1127182995 /nfs/dbraw/zinc/18/29/95/1127182995.db2.gz OVTSXLIBMZUCCI-SJLPKXTDSA-N 2 1 278.484 3.621 20 0 CHADMP C[C@H](C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)C1CCCCC1 ZINC000571943174 1127182996 /nfs/dbraw/zinc/18/29/96/1127182996.db2.gz OVTSXLIBMZUCCI-SJLPKXTDSA-N 2 1 278.484 3.621 20 0 CHADMP C[C@H](C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)C1CCCCC1 ZINC000571943174 1127182998 /nfs/dbraw/zinc/18/29/98/1127182998.db2.gz OVTSXLIBMZUCCI-SJLPKXTDSA-N 2 1 278.484 3.621 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC=C(C)CC2)c1 ZINC000571986185 1127183831 /nfs/dbraw/zinc/18/38/31/1127183831.db2.gz ITAAIWBZMRCFRF-SFHVURJKSA-N 2 1 272.436 3.727 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000572506968 1127201591 /nfs/dbraw/zinc/20/15/91/1127201591.db2.gz XCUITNPYZQOZHH-DISONHOPSA-N 2 1 278.484 3.664 20 0 CHADMP C[N@@H+](CCCCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285653390 1127239965 /nfs/dbraw/zinc/23/99/65/1127239965.db2.gz YMHQGCDPOSSSAB-DFNIBXOVSA-N 2 1 286.463 3.566 20 0 CHADMP C[NH+](CCCCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285653390 1127239967 /nfs/dbraw/zinc/23/99/67/1127239967.db2.gz YMHQGCDPOSSSAB-DFNIBXOVSA-N 2 1 286.463 3.566 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](CCC(C)C)c1ccoc1 ZINC000286084930 1127257884 /nfs/dbraw/zinc/25/78/84/1127257884.db2.gz MMWBXFBJHRCOOQ-MRXNPFEDSA-N 2 1 275.396 3.552 20 0 CHADMP Cc1nccn1CCC[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000286730285 1127273202 /nfs/dbraw/zinc/27/32/02/1127273202.db2.gz HCZJNXQSQLMTDB-OAHLLOKOSA-N 2 1 289.448 3.726 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000286730285 1127273208 /nfs/dbraw/zinc/27/32/08/1127273208.db2.gz HCZJNXQSQLMTDB-OAHLLOKOSA-N 2 1 289.448 3.726 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000353946386 1127280984 /nfs/dbraw/zinc/28/09/84/1127280984.db2.gz VNDPVSQCZSKOPH-LPHOPBHVSA-N 2 1 299.462 3.857 20 0 CHADMP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000354312587 1127302307 /nfs/dbraw/zinc/30/23/07/1127302307.db2.gz SAJGQNVCERJRRI-MUIFIZLQSA-N 2 1 277.456 3.632 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000573485790 1127316540 /nfs/dbraw/zinc/31/65/40/1127316540.db2.gz XHAMMTZDHWHSIG-JKSUJKDBSA-N 2 1 266.473 3.809 20 0 CHADMP Cc1cc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1F ZINC000591692557 1127313754 /nfs/dbraw/zinc/31/37/54/1127313754.db2.gz MDCAHFNQRNOOEZ-GASCZTMLSA-N 2 1 292.442 3.592 20 0 CHADMP Cc1cc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1F ZINC000591692557 1127313756 /nfs/dbraw/zinc/31/37/56/1127313756.db2.gz MDCAHFNQRNOOEZ-GASCZTMLSA-N 2 1 292.442 3.592 20 0 CHADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C[C@H]2CCCC(C)(C)C2)C1 ZINC000573487611 1127316442 /nfs/dbraw/zinc/31/64/42/1127316442.db2.gz LXOKJRCTMDOWJM-GVDBMIGSSA-N 2 1 278.484 3.619 20 0 CHADMP CC(C)CC1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000760923415 1127333904 /nfs/dbraw/zinc/33/39/04/1127333904.db2.gz AJSWTNVMGRZJGR-QGZVFWFLSA-N 2 1 266.473 3.619 20 0 CHADMP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000573986259 1127347644 /nfs/dbraw/zinc/34/76/44/1127347644.db2.gz ZIIGZCCBKMNVSX-BVBHFADKSA-N 2 1 286.463 3.990 20 0 CHADMP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000573986259 1127347646 /nfs/dbraw/zinc/34/76/46/1127347646.db2.gz ZIIGZCCBKMNVSX-BVBHFADKSA-N 2 1 286.463 3.990 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)[C@H](C)C1 ZINC000355479332 1127343842 /nfs/dbraw/zinc/34/38/42/1127343842.db2.gz ZWMORQOAPYWTCB-BVGQSLNGSA-N 2 1 290.426 3.523 20 0 CHADMP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccsc1 ZINC000357854782 1127394621 /nfs/dbraw/zinc/39/46/21/1127394621.db2.gz RDRLVWJDOCICAX-ZDUSSCGKSA-N 2 1 266.454 3.521 20 0 CHADMP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccsc1 ZINC000357854781 1127395168 /nfs/dbraw/zinc/39/51/68/1127395168.db2.gz RDRLVWJDOCICAX-CYBMUJFWSA-N 2 1 266.454 3.521 20 0 CHADMP Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359227439 1127454381 /nfs/dbraw/zinc/45/43/81/1127454381.db2.gz WHXNFFHVQNXBRF-WMZOPIPTSA-N 2 1 286.463 3.563 20 0 CHADMP Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359227426 1127454395 /nfs/dbraw/zinc/45/43/95/1127454395.db2.gz WHXNFFHVQNXBRF-AEFFLSMTSA-N 2 1 286.463 3.563 20 0 CHADMP CCC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccc(OC)cc1 ZINC000359634782 1127470907 /nfs/dbraw/zinc/47/09/07/1127470907.db2.gz NCGFVIUNYKZBEF-GOSISDBHSA-N 2 1 292.467 3.856 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc2c(s1)CCC2 ZINC000360030101 1127487090 /nfs/dbraw/zinc/48/70/90/1127487090.db2.gz UFGJKVIZOLEFTG-QEJZJMRPSA-N 2 1 290.476 3.514 20 0 CHADMP CC(F)(F)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000293571178 1127505855 /nfs/dbraw/zinc/50/58/55/1127505855.db2.gz BHOJFNGAHKEZGN-CVEARBPZSA-N 2 1 294.389 3.515 20 0 CHADMP CC(C)C1([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000293748803 1127517551 /nfs/dbraw/zinc/51/75/51/1127517551.db2.gz QCHWLXKFMOHLEO-SJLPKXTDSA-N 2 1 286.463 3.675 20 0 CHADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000361847677 1127593689 /nfs/dbraw/zinc/59/36/89/1127593689.db2.gz DWBXSMSHJROVLB-CRAIPNDOSA-N 2 1 281.403 3.555 20 0 CHADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000361847679 1127593865 /nfs/dbraw/zinc/59/38/65/1127593865.db2.gz DWBXSMSHJROVLB-QAPCUYQASA-N 2 1 281.403 3.555 20 0 CHADMP CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(F)ccc1F ZINC000295996039 1127659518 /nfs/dbraw/zinc/65/95/18/1127659518.db2.gz PZPWIACOECJNEF-DSZSVDOYSA-N 2 1 294.389 3.631 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)c1ccccc1 ZINC000295982496 1127659665 /nfs/dbraw/zinc/65/96/65/1127659665.db2.gz OVFMBYNDIOONLN-MIGBEJBISA-N 2 1 286.463 3.568 20 0 CHADMP CC(C[NH+](C)Cc1ccccc1)C[N@@H+](C)Cc1ccccc1 ZINC000603823330 1127673965 /nfs/dbraw/zinc/67/39/65/1127673965.db2.gz UZPRTFWDQRCIJN-UHFFFAOYSA-N 2 1 296.458 3.887 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cs1 ZINC000297948434 1127712266 /nfs/dbraw/zinc/71/22/66/1127712266.db2.gz YOAGEQZVDRGQFQ-CYBMUJFWSA-N 2 1 278.465 3.724 20 0 CHADMP CC(C[NH+]1CCC[C@@H]1C(C)C)C[N@H+]1CCC[C@@H]1C(C)C ZINC000605574375 1127743174 /nfs/dbraw/zinc/74/31/74/1127743174.db2.gz AQQXPOYNOAZEKL-QZTJIDSGSA-N 2 1 280.500 3.863 20 0 CHADMP c1ccc2c(c1)cccc2C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366869058 1127749056 /nfs/dbraw/zinc/74/90/56/1127749056.db2.gz CWRIFHSPSSFMTN-UHFFFAOYSA-N 2 1 294.442 3.946 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)CC[C@@H]2CCc3ccccc32)CC[N@@H+]1C ZINC000659983247 1127873951 /nfs/dbraw/zinc/87/39/51/1127873951.db2.gz HVNZHPDTTAITJM-BPQIPLTHSA-N 2 1 286.463 3.521 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)CC[C@@H]2CCc3ccccc32)CC[N@H+]1C ZINC000659983247 1127873955 /nfs/dbraw/zinc/87/39/55/1127873955.db2.gz HVNZHPDTTAITJM-BPQIPLTHSA-N 2 1 286.463 3.521 20 0 CHADMP C[C@@H]1C[C@H]([N@H+](C)CC[C@@H]2CCc3ccccc32)CC[NH+]1C ZINC000659983247 1127873960 /nfs/dbraw/zinc/87/39/60/1127873960.db2.gz HVNZHPDTTAITJM-BPQIPLTHSA-N 2 1 286.463 3.521 20 0 CHADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@@H]2CCc3ccccc32)CC[NH+]1C ZINC000659983247 1127873967 /nfs/dbraw/zinc/87/39/67/1127873967.db2.gz HVNZHPDTTAITJM-BPQIPLTHSA-N 2 1 286.463 3.521 20 0 CHADMP C[C@@H](c1ccccc1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374173599 1127876177 /nfs/dbraw/zinc/87/61/77/1127876177.db2.gz HTUDBRMXGFCWQN-INIZCTEOSA-N 2 1 272.436 3.555 20 0 CHADMP C[C@H](c1ccccc1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374173604 1127876421 /nfs/dbraw/zinc/87/64/21/1127876421.db2.gz HTUDBRMXGFCWQN-MRXNPFEDSA-N 2 1 272.436 3.555 20 0 CHADMP C[C@@H]1CC[C@@H](C)[NH+](C/C=C\C[N@H+]2C[C@H](C)CC[C@@H]2C)C1 ZINC000608578130 1127878334 /nfs/dbraw/zinc/87/83/34/1127878334.db2.gz OINAYINUUHXNGU-LAHXUIENSA-N 2 1 278.484 3.783 20 0 CHADMP C[C@@H]1CC[C@H](C)[NH+](C/C=C\C[N@@H+]2C[C@H](C)CC[C@H]2C)C1 ZINC000608578130 1127878337 /nfs/dbraw/zinc/87/83/37/1127878337.db2.gz OINAYINUUHXNGU-LAHXUIENSA-N 2 1 278.484 3.783 20 0 CHADMP C[C@@H]1CC[C@H](C)[NH+](C/C=C\C[N@H+]2C[C@H](C)CC[C@H]2C)C1 ZINC000608578130 1127878341 /nfs/dbraw/zinc/87/83/41/1127878341.db2.gz OINAYINUUHXNGU-LAHXUIENSA-N 2 1 278.484 3.783 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000411994625 1127884642 /nfs/dbraw/zinc/88/46/42/1127884642.db2.gz ZWCRBVPTWWQTEZ-OALUTQOASA-N 2 1 298.474 3.740 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000411994625 1127884646 /nfs/dbraw/zinc/88/46/46/1127884646.db2.gz ZWCRBVPTWWQTEZ-OALUTQOASA-N 2 1 298.474 3.740 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000411994625 1127884652 /nfs/dbraw/zinc/88/46/52/1127884652.db2.gz ZWCRBVPTWWQTEZ-OALUTQOASA-N 2 1 298.474 3.740 20 0 CHADMP CC[C@@H]1C[C@H](C)C[NH+]1C[C@@H](C)C[N@@H+]1C[C@@H](C)C[C@@H]1CC ZINC000608758185 1127888450 /nfs/dbraw/zinc/88/84/50/1127888450.db2.gz OWUIGQGAHACDSX-KFGODFMUSA-N 2 1 280.500 3.863 20 0 CHADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H](C)C[NH+]1C[C@@H](C)C[C@@H]1CC ZINC000608758185 1127888454 /nfs/dbraw/zinc/88/84/54/1127888454.db2.gz OWUIGQGAHACDSX-KFGODFMUSA-N 2 1 280.500 3.863 20 0 CHADMP CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@@H](C)C[NH+]1C[C@@H](C)C[C@@H]1CC ZINC000608758185 1127888457 /nfs/dbraw/zinc/88/84/57/1127888457.db2.gz OWUIGQGAHACDSX-KFGODFMUSA-N 2 1 280.500 3.863 20 0 CHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000374616635 1127906827 /nfs/dbraw/zinc/90/68/27/1127906827.db2.gz AXFQGJIUVWRASV-VUBSUSDNSA-N 2 1 298.474 3.990 20 0 CHADMP CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCC1 ZINC000623548550 1127934612 /nfs/dbraw/zinc/93/46/12/1127934612.db2.gz YBWCPNXYXOXRPW-HOTGVXAUSA-N 2 1 266.473 3.808 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2C(C)(C)C)CC1(C)C ZINC000623551408 1127936911 /nfs/dbraw/zinc/93/69/11/1127936911.db2.gz XNBLCVFGWVETBV-KKUMJFAQSA-N 2 1 266.473 3.664 20 0 CHADMP CC[N@H+]1CC[C@H](N(C)C/C=C\c2ccc(F)cc2)C[C@@H]1C ZINC000539819065 1127943347 /nfs/dbraw/zinc/94/33/47/1127943347.db2.gz JPFMOYZMCRFMRG-YMTSHVIYSA-N 2 1 290.426 3.644 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C/C=C\c2ccc(F)cc2)C[C@@H]1C ZINC000539819065 1127943354 /nfs/dbraw/zinc/94/33/54/1127943354.db2.gz JPFMOYZMCRFMRG-YMTSHVIYSA-N 2 1 290.426 3.644 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C/C=C\c2ccc(F)cc2)C[C@@H]1C ZINC000539819065 1127943356 /nfs/dbraw/zinc/94/33/56/1127943356.db2.gz JPFMOYZMCRFMRG-YMTSHVIYSA-N 2 1 290.426 3.644 20 0 CHADMP CC[N@H+]1CC[C@H](N(C)C/C=C/c2ccc(F)cc2)C[C@@H]1C ZINC000539819063 1127943478 /nfs/dbraw/zinc/94/34/78/1127943478.db2.gz JPFMOYZMCRFMRG-PWSDSBMBSA-N 2 1 290.426 3.644 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C/C=C/c2ccc(F)cc2)C[C@@H]1C ZINC000539819063 1127943484 /nfs/dbraw/zinc/94/34/84/1127943484.db2.gz JPFMOYZMCRFMRG-PWSDSBMBSA-N 2 1 290.426 3.644 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C/C=C/c2ccc(F)cc2)C[C@@H]1C ZINC000539819063 1127943488 /nfs/dbraw/zinc/94/34/88/1127943488.db2.gz JPFMOYZMCRFMRG-PWSDSBMBSA-N 2 1 290.426 3.644 20 0 CHADMP Cc1cccc(C2=CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000540045013 1127958403 /nfs/dbraw/zinc/95/84/03/1127958403.db2.gz YTHBGDISKVSUOX-FQEVSTJZSA-N 2 1 298.474 3.959 20 0 CHADMP Cc1cccc(C2=CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000540045013 1127958405 /nfs/dbraw/zinc/95/84/05/1127958405.db2.gz YTHBGDISKVSUOX-FQEVSTJZSA-N 2 1 298.474 3.959 20 0 CHADMP Cc1cccc(C2=CC[N@H+](CC[C@@H]3CCCC[NH+]3C)CC2)c1 ZINC000540045013 1127958407 /nfs/dbraw/zinc/95/84/07/1127958407.db2.gz YTHBGDISKVSUOX-FQEVSTJZSA-N 2 1 298.474 3.959 20 0 CHADMP Cc1cccc(C2=CC[N@@H+](CC[C@@H]3CCCC[NH+]3C)CC2)c1 ZINC000540045013 1127958409 /nfs/dbraw/zinc/95/84/09/1127958409.db2.gz YTHBGDISKVSUOX-FQEVSTJZSA-N 2 1 298.474 3.959 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC[C@@H](C)C2)C[C@H]1C ZINC000540052741 1127959601 /nfs/dbraw/zinc/95/96/01/1127959601.db2.gz PAIGBQAKUYMWTR-VQHPVUNQSA-N 2 1 266.473 3.617 20 0 CHADMP CC[C@H]1CCC[C@H](C[N@H+](C)C2CC[NH+](CC)CC2)C1 ZINC000544352362 1127969860 /nfs/dbraw/zinc/96/98/60/1127969860.db2.gz COMDPBFLMLBURM-HOTGVXAUSA-N 2 1 266.473 3.619 20 0 CHADMP CC[C@H]1CCC[C@H](C[N@@H+](C)C2CC[NH+](CC)CC2)C1 ZINC000544352362 1127969862 /nfs/dbraw/zinc/96/98/62/1127969862.db2.gz COMDPBFLMLBURM-HOTGVXAUSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)CC1CCCCC1 ZINC000544609982 1127978076 /nfs/dbraw/zinc/97/80/76/1127978076.db2.gz IDFJIAMSOOCAEJ-UXLLHSPISA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)[C@H]([NH2+]CCC[NH+](C)C)c1ccc(Cl)cc1F ZINC000540988419 1128004007 /nfs/dbraw/zinc/00/40/07/1128004007.db2.gz JILHRMSSWWIKLZ-HNNXBMFYSA-N 2 1 286.822 3.718 20 0 CHADMP CC1(C)CC[C@@H]([NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256908824 1128015681 /nfs/dbraw/zinc/01/56/81/1128015681.db2.gz QPGDFZFBRSSVBH-HUUCEWRRSA-N 2 1 264.457 3.562 20 0 CHADMP CC1(C)CC[C@@H]([NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256908824 1128015686 /nfs/dbraw/zinc/01/56/86/1128015686.db2.gz QPGDFZFBRSSVBH-HUUCEWRRSA-N 2 1 264.457 3.562 20 0 CHADMP CC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000541347786 1128019454 /nfs/dbraw/zinc/01/94/54/1128019454.db2.gz PDGUCFOZMUBECG-DYVFJYSZSA-N 2 1 292.854 3.601 20 0 CHADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000541347786 1128019457 /nfs/dbraw/zinc/01/94/57/1128019457.db2.gz PDGUCFOZMUBECG-DYVFJYSZSA-N 2 1 292.854 3.601 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000541347786 1128019460 /nfs/dbraw/zinc/01/94/60/1128019460.db2.gz PDGUCFOZMUBECG-DYVFJYSZSA-N 2 1 292.854 3.601 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000541347786 1128019464 /nfs/dbraw/zinc/01/94/64/1128019464.db2.gz PDGUCFOZMUBECG-DYVFJYSZSA-N 2 1 292.854 3.601 20 0 CHADMP CCS[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000469777469 1128053733 /nfs/dbraw/zinc/05/37/33/1128053733.db2.gz XJIWBQHOSDICDQ-BZUAXINKSA-N 2 1 284.513 3.515 20 0 CHADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccccc2)s1 ZINC000469850687 1128055579 /nfs/dbraw/zinc/05/55/79/1128055579.db2.gz WNONLEOTHLBTMS-KBPBESRZSA-N 2 1 286.444 3.584 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+]CCc2ccc(C(C)C)cc2)C1 ZINC000470185501 1128065463 /nfs/dbraw/zinc/06/54/63/1128065463.db2.gz XHFFYCHYDAMGHF-SFHVURJKSA-N 2 1 288.479 3.674 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000470196775 1128066505 /nfs/dbraw/zinc/06/65/05/1128066505.db2.gz WKCTXOCENOZAJR-CQSZACIVSA-N 2 1 282.859 3.763 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000470259631 1128067104 /nfs/dbraw/zinc/06/71/04/1128067104.db2.gz RVMXGYCQMAAQRH-YVSFHVDLSA-N 2 1 266.473 3.523 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCC[C@H]2C)[C@H](C)C1 ZINC000470259628 1128067273 /nfs/dbraw/zinc/06/72/73/1128067273.db2.gz RVMXGYCQMAAQRH-NCOADZHNSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000924685297 1128110148 /nfs/dbraw/zinc/11/01/48/1128110148.db2.gz HZBIHJPUIRAOEU-XYTVBORESA-N 2 1 296.524 3.515 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc3ccccc3[nH]2)C1 ZINC000924750478 1128112286 /nfs/dbraw/zinc/11/22/86/1128112286.db2.gz FGMRLAGXHBHUOU-HUUCEWRRSA-N 2 1 285.435 3.550 20 0 CHADMP FCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925556323 1128131541 /nfs/dbraw/zinc/13/15/41/1128131541.db2.gz JZXFJTTWSPYKOS-AYHJJNSGSA-N 2 1 290.426 3.521 20 0 CHADMP C[C@H](Cc1cccc(F)c1)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001168456076 1128133374 /nfs/dbraw/zinc/13/33/74/1128133374.db2.gz NOWILDRKUAJLOR-OAHLLOKOSA-N 2 1 292.442 3.740 20 0 CHADMP C[C@H]([NH3+])[C@@H]([NH2+]C1CCC2(CC2(F)F)CC1)c1ccccc1 ZINC000925710527 1128137744 /nfs/dbraw/zinc/13/77/44/1128137744.db2.gz XIGZQTGCOMGNCO-LKGAJIBZSA-N 2 1 294.389 3.633 20 0 CHADMP Cc1oc2ccccc2c1[C@@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000925812558 1128142966 /nfs/dbraw/zinc/14/29/66/1128142966.db2.gz IYCQOOXENQIODB-OCCSQVGLSA-N 2 1 295.386 3.603 20 0 CHADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000925825650 1128143523 /nfs/dbraw/zinc/14/35/23/1128143523.db2.gz BDCOHGBICKZFPF-JBBXEZCESA-N 2 1 284.378 3.930 20 0 CHADMP C[C@@H]([NH2+]C1CC2(C1)CCCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000926119909 1128156034 /nfs/dbraw/zinc/15/60/34/1128156034.db2.gz SHPSEFMUZOCBNK-CVEARBPZSA-N 2 1 290.495 3.952 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1coc2ccccc12 ZINC000926572185 1128181994 /nfs/dbraw/zinc/18/19/94/1128181994.db2.gz CGFFGKHIVFRKQE-LSDHHAIUSA-N 2 1 286.419 3.815 20 0 CHADMP C[C@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1cscn1 ZINC000926691690 1128188729 /nfs/dbraw/zinc/18/87/29/1128188729.db2.gz IRPKHDKUDFXNEV-STQMWFEESA-N 2 1 289.448 3.617 20 0 CHADMP Cc1ccccc1[C@H]([NH2+]C1CC[NH+](C)CC1)C1CCCC1 ZINC000494875453 1128207030 /nfs/dbraw/zinc/20/70/30/1128207030.db2.gz DVQLPIDQFTVCBA-LJQANCHMSA-N 2 1 286.463 3.910 20 0 CHADMP CCCCCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001257372897 1128285384 /nfs/dbraw/zinc/28/53/84/1128285384.db2.gz QQUBSJXBQODEEY-YESZJQIVSA-N 2 1 266.473 3.619 20 0 CHADMP CCCCCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](CCC)C[C@H]2C1 ZINC001257372897 1128285388 /nfs/dbraw/zinc/28/53/88/1128285388.db2.gz QQUBSJXBQODEEY-YESZJQIVSA-N 2 1 266.473 3.619 20 0 CHADMP CCCCCC[C@H](C)[NH+]1C[C@H]2C[N@H+](CCC)C[C@H]2C1 ZINC001257372897 1128285392 /nfs/dbraw/zinc/28/53/92/1128285392.db2.gz QQUBSJXBQODEEY-YESZJQIVSA-N 2 1 266.473 3.619 20 0 CHADMP CCCCCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001257372910 1128285574 /nfs/dbraw/zinc/28/55/74/1128285574.db2.gz QQUBSJXBQODEEY-ZACQAIPSSA-N 2 1 266.473 3.619 20 0 CHADMP CCCCCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](CCC)C[C@H]2C1 ZINC001257372910 1128285577 /nfs/dbraw/zinc/28/55/77/1128285577.db2.gz QQUBSJXBQODEEY-ZACQAIPSSA-N 2 1 266.473 3.619 20 0 CHADMP CCCCCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](CCC)C[C@H]2C1 ZINC001257372910 1128285579 /nfs/dbraw/zinc/28/55/79/1128285579.db2.gz QQUBSJXBQODEEY-ZACQAIPSSA-N 2 1 266.473 3.619 20 0 CHADMP CCCCCC[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000765976870 1128343824 /nfs/dbraw/zinc/34/38/24/1128343824.db2.gz OLORYYXSHPQHAR-SJLPKXTDSA-N 2 1 296.499 3.578 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](C)C(C)(C)C)C1 ZINC000670268129 1128379341 /nfs/dbraw/zinc/37/93/41/1128379341.db2.gz JVPBACHXUOBNJK-HOTGVXAUSA-N 2 1 268.489 3.626 20 0 CHADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(C)(C)C ZINC000670268948 1128380130 /nfs/dbraw/zinc/38/01/30/1128380130.db2.gz UKUGTSWUCKNPKG-OWCLPIDISA-N 2 1 280.500 3.911 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CCC1 ZINC000398029776 1128392033 /nfs/dbraw/zinc/39/20/33/1128392033.db2.gz MWFUPUNZEXAWRI-GJYPPUQNSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CCC1 ZINC000398029776 1128392037 /nfs/dbraw/zinc/39/20/37/1128392037.db2.gz MWFUPUNZEXAWRI-GJYPPUQNSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CCC1 ZINC000398029779 1128392259 /nfs/dbraw/zinc/39/22/59/1128392259.db2.gz MWFUPUNZEXAWRI-MDZRGWNJSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CCC1 ZINC000398029779 1128392264 /nfs/dbraw/zinc/39/22/64/1128392264.db2.gz MWFUPUNZEXAWRI-MDZRGWNJSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(Cl)c1 ZINC000036996646 1128404342 /nfs/dbraw/zinc/40/43/42/1128404342.db2.gz SYHDLJIBMPQDEL-VBNZEHGJSA-N 2 1 278.827 3.617 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(Cl)c1 ZINC000036996646 1128404344 /nfs/dbraw/zinc/40/43/44/1128404344.db2.gz SYHDLJIBMPQDEL-VBNZEHGJSA-N 2 1 278.827 3.617 20 0 CHADMP c1ccc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)ccc2c1 ZINC000036996423 1128404577 /nfs/dbraw/zinc/40/45/77/1128404577.db2.gz LOUNHFOHRSKILE-RTBURBONSA-N 2 1 280.415 3.556 20 0 CHADMP c1ccc2cc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)ccc2c1 ZINC000036996423 1128404579 /nfs/dbraw/zinc/40/45/79/1128404579.db2.gz LOUNHFOHRSKILE-RTBURBONSA-N 2 1 280.415 3.556 20 0 CHADMP CC(C)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996573 1128404681 /nfs/dbraw/zinc/40/46/81/1128404681.db2.gz NSNUHDKMVLWVTK-ZWKOTPCHSA-N 2 1 272.436 3.526 20 0 CHADMP CC(C)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996573 1128404684 /nfs/dbraw/zinc/40/46/84/1128404684.db2.gz NSNUHDKMVLWVTK-ZWKOTPCHSA-N 2 1 272.436 3.526 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCC(C(C)(C)CC)CC2)C1 ZINC000037643785 1128433743 /nfs/dbraw/zinc/43/37/43/1128433743.db2.gz VFJZLOWSOLVLAV-GTPINHCMSA-N 2 1 280.500 3.913 20 0 CHADMP c1ccc([C@@H]2CCCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC001205171749 1128435358 /nfs/dbraw/zinc/43/53/58/1128435358.db2.gz WXZQBPQSOXZUEO-AEFFLSMTSA-N 2 1 272.436 3.603 20 0 CHADMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CC(C)(C)Sc1ccc(Cl)cc1 ZINC001205171794 1128437025 /nfs/dbraw/zinc/43/70/25/1128437025.db2.gz ZWXLQMASGHGBPT-BXUZGUMPSA-N 2 1 298.883 3.632 20 0 CHADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CC(C)(C)Sc1ccc(Cl)cc1 ZINC001205171794 1128437027 /nfs/dbraw/zinc/43/70/27/1128437027.db2.gz ZWXLQMASGHGBPT-BXUZGUMPSA-N 2 1 298.883 3.632 20 0 CHADMP Cc1cc(C)c(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000123598107 1128440073 /nfs/dbraw/zinc/44/00/73/1128440073.db2.gz GKWSYLULHNPAAP-SJORKVTESA-N 2 1 274.452 3.526 20 0 CHADMP Cc1cc(C)c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000123598107 1128440075 /nfs/dbraw/zinc/44/00/75/1128440075.db2.gz GKWSYLULHNPAAP-SJORKVTESA-N 2 1 274.452 3.526 20 0 CHADMP Cc1cc(C)c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(C)c1 ZINC000123598107 1128440077 /nfs/dbraw/zinc/44/00/77/1128440077.db2.gz GKWSYLULHNPAAP-SJORKVTESA-N 2 1 274.452 3.526 20 0 CHADMP Cc1cc(C)c(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(C)c1 ZINC000123598107 1128440080 /nfs/dbraw/zinc/44/00/80/1128440080.db2.gz GKWSYLULHNPAAP-SJORKVTESA-N 2 1 274.452 3.526 20 0 CHADMP CC(C)C[C@H](C[N@@H+](C)C1CC[NH2+]CC1)c1ccccc1 ZINC000563131709 1128451764 /nfs/dbraw/zinc/45/17/64/1128451764.db2.gz GVUGELMSSJBHRI-QGZVFWFLSA-N 2 1 274.452 3.500 20 0 CHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2F)C1 ZINC000125793797 1128454195 /nfs/dbraw/zinc/45/41/95/1128454195.db2.gz JABDJOSNGWZGHA-KBPBESRZSA-N 2 1 296.405 3.736 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2F)C1 ZINC000125793797 1128454196 /nfs/dbraw/zinc/45/41/96/1128454196.db2.gz JABDJOSNGWZGHA-KBPBESRZSA-N 2 1 296.405 3.736 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1cccs1 ZINC000125825862 1128455013 /nfs/dbraw/zinc/45/50/13/1128455013.db2.gz RSOBBWQJEPCQFG-GJZGRUSLSA-N 2 1 280.481 3.909 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1cccs1 ZINC000125826322 1128454729 /nfs/dbraw/zinc/45/47/29/1128454729.db2.gz RSOBBWQJEPCQFG-CABCVRRESA-N 2 1 280.481 3.909 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000125436829 1128450141 /nfs/dbraw/zinc/45/01/41/1128450141.db2.gz OVDRLSQCIQWWLK-IBGZPJMESA-N 2 1 297.446 3.679 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000125436829 1128450145 /nfs/dbraw/zinc/45/01/45/1128450145.db2.gz OVDRLSQCIQWWLK-IBGZPJMESA-N 2 1 297.446 3.679 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)CC2 ZINC000125909143 1128456219 /nfs/dbraw/zinc/45/62/19/1128456219.db2.gz GAOZNJKUVURGDN-LPHOPBHVSA-N 2 1 286.463 3.692 20 0 CHADMP Cc1cccnc1[C@@H](NCC[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC000934290489 1128456631 /nfs/dbraw/zinc/45/66/31/1128456631.db2.gz GFZRZWQIVDWLTP-NVXWUHKLSA-N 2 1 289.467 3.551 20 0 CHADMP Cc1cccnc1[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC000934290489 1128456632 /nfs/dbraw/zinc/45/66/32/1128456632.db2.gz GFZRZWQIVDWLTP-NVXWUHKLSA-N 2 1 289.467 3.551 20 0 CHADMP Cc1cccnc1[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC000934290489 1128456633 /nfs/dbraw/zinc/45/66/33/1128456633.db2.gz GFZRZWQIVDWLTP-NVXWUHKLSA-N 2 1 289.467 3.551 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000125977155 1128459580 /nfs/dbraw/zinc/45/95/80/1128459580.db2.gz UGKFDVBTXZFJEY-IAGOWNOFSA-N 2 1 274.452 3.766 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CCCC1CCCCC1 ZINC000563776650 1128478800 /nfs/dbraw/zinc/47/88/00/1128478800.db2.gz DPEYFASVHQRRFY-WBVHZDCISA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CCCC1CCCCC1 ZINC000563776650 1128478804 /nfs/dbraw/zinc/47/88/04/1128478804.db2.gz DPEYFASVHQRRFY-WBVHZDCISA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CCCC1CCCCC1 ZINC000563776650 1128478806 /nfs/dbraw/zinc/47/88/06/1128478806.db2.gz DPEYFASVHQRRFY-WBVHZDCISA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CCCC1CCCCC1 ZINC000563776650 1128478807 /nfs/dbraw/zinc/47/88/07/1128478807.db2.gz DPEYFASVHQRRFY-WBVHZDCISA-N 2 1 266.473 3.619 20 0 CHADMP CC(C)c1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000127978122 1128484943 /nfs/dbraw/zinc/48/49/43/1128484943.db2.gz KGFZNDNJLYSHLX-MPGHIAIKSA-N 2 1 274.452 3.801 20 0 CHADMP CC(C)c1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000127978122 1128484944 /nfs/dbraw/zinc/48/49/44/1128484944.db2.gz KGFZNDNJLYSHLX-MPGHIAIKSA-N 2 1 274.452 3.801 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001257479071 1128492071 /nfs/dbraw/zinc/49/20/71/1128492071.db2.gz VXJXHOLIBCHUAI-YHUYYLMFSA-N 2 1 254.462 3.521 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001257479071 1128492074 /nfs/dbraw/zinc/49/20/74/1128492074.db2.gz VXJXHOLIBCHUAI-YHUYYLMFSA-N 2 1 254.462 3.521 20 0 CHADMP CCC1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000564231692 1128499341 /nfs/dbraw/zinc/49/93/41/1128499341.db2.gz FTYBOFILGDTZSU-MEWCUZTCSA-N 2 1 286.463 3.818 20 0 CHADMP CCC1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000564231692 1128499342 /nfs/dbraw/zinc/49/93/42/1128499342.db2.gz FTYBOFILGDTZSU-MEWCUZTCSA-N 2 1 286.463 3.818 20 0 CHADMP CCCCC[C@@H](C)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001257500383 1128510385 /nfs/dbraw/zinc/51/03/85/1128510385.db2.gz PNNACQKETWCBJM-OAHLLOKOSA-N 2 1 254.462 3.939 20 0 CHADMP CC1(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000564959566 1128517887 /nfs/dbraw/zinc/51/78/87/1128517887.db2.gz CKUSKNVJFYAIIQ-SFHVURJKSA-N 2 1 298.474 3.963 20 0 CHADMP CC1(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000564959566 1128517890 /nfs/dbraw/zinc/51/78/90/1128517890.db2.gz CKUSKNVJFYAIIQ-SFHVURJKSA-N 2 1 298.474 3.963 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]CC(C2CC2)C2CC2)C[C@@H]1c1ccccc1 ZINC000556093363 1128545739 /nfs/dbraw/zinc/54/57/39/1128545739.db2.gz JNIFXJWIMOEKQY-AZUAARDMSA-N 2 1 298.474 3.848 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC(C2CC2)C2CC2)C[C@@H]1c1ccccc1 ZINC000556093363 1128545742 /nfs/dbraw/zinc/54/57/42/1128545742.db2.gz JNIFXJWIMOEKQY-AZUAARDMSA-N 2 1 298.474 3.848 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]CC(C2CC2)C2CC2)C[C@H]1c1ccccc1 ZINC000556093365 1128545841 /nfs/dbraw/zinc/54/58/41/1128545841.db2.gz JNIFXJWIMOEKQY-ICSRJNTNSA-N 2 1 298.474 3.848 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC(C2CC2)C2CC2)C[C@H]1c1ccccc1 ZINC000556093365 1128545844 /nfs/dbraw/zinc/54/58/44/1128545844.db2.gz JNIFXJWIMOEKQY-ICSRJNTNSA-N 2 1 298.474 3.848 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2)C2CC2)[C@@H](C)C1 ZINC000556211072 1128564238 /nfs/dbraw/zinc/56/42/38/1128564238.db2.gz YOWUDOIYZBCUAG-SNRMKQJTSA-N 2 1 286.463 3.500 20 0 CHADMP CCc1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)o1 ZINC000130648618 1128590786 /nfs/dbraw/zinc/59/07/86/1128590786.db2.gz URABBVWHAPIMJF-OAHLLOKOSA-N 2 1 278.440 3.586 20 0 CHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC3CCC3)CC23CC3)cc1 ZINC000570091769 1128615458 /nfs/dbraw/zinc/61/54/58/1128615458.db2.gz IOGQGCXPDLSRHL-SFHVURJKSA-N 2 1 284.447 3.573 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC3CCC3)CC23CC3)cc1 ZINC000570091769 1128615460 /nfs/dbraw/zinc/61/54/60/1128615460.db2.gz IOGQGCXPDLSRHL-SFHVURJKSA-N 2 1 284.447 3.573 20 0 CHADMP CC[N@@H+](Cc1cccc(Cl)c1)CC1(C)CC[NH2+]CC1 ZINC001236191520 1128602163 /nfs/dbraw/zinc/60/21/63/1128602163.db2.gz BIMSZUWXGIKNPR-UHFFFAOYSA-N 2 1 280.843 3.552 20 0 CHADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000569230058 1128602238 /nfs/dbraw/zinc/60/22/38/1128602238.db2.gz OATCLISOQASWKA-VQTJNVASSA-N 2 1 294.442 3.920 20 0 CHADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000569230058 1128602240 /nfs/dbraw/zinc/60/22/40/1128602240.db2.gz OATCLISOQASWKA-VQTJNVASSA-N 2 1 294.442 3.920 20 0 CHADMP CCC[C@H](C)[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 ZINC000570336168 1128621456 /nfs/dbraw/zinc/62/14/56/1128621456.db2.gz USXBFEJVSRALKB-HOCLYGCPSA-N 2 1 294.508 3.999 20 0 CHADMP CCC[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000570336168 1128621457 /nfs/dbraw/zinc/62/14/57/1128621457.db2.gz USXBFEJVSRALKB-HOCLYGCPSA-N 2 1 294.508 3.999 20 0 CHADMP CCC[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000570336168 1128621459 /nfs/dbraw/zinc/62/14/59/1128621459.db2.gz USXBFEJVSRALKB-HOCLYGCPSA-N 2 1 294.508 3.999 20 0 CHADMP CCC[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000570336168 1128621460 /nfs/dbraw/zinc/62/14/60/1128621460.db2.gz USXBFEJVSRALKB-HOCLYGCPSA-N 2 1 294.508 3.999 20 0 CHADMP CCC[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000570336168 1128621461 /nfs/dbraw/zinc/62/14/61/1128621461.db2.gz USXBFEJVSRALKB-HOCLYGCPSA-N 2 1 294.508 3.999 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236222929 1128623912 /nfs/dbraw/zinc/62/39/12/1128623912.db2.gz KEHIOALJRMIAOP-INIZCTEOSA-N 2 1 266.473 3.833 20 0 CHADMP CC[C@@H](C)[N@@H+](C)Cc1cncc(C[NH+](C)[C@@H](C)CC)c1 ZINC000570771528 1128632294 /nfs/dbraw/zinc/63/22/94/1128632294.db2.gz BPZTWOPNDSHTBH-GASCZTMLSA-N 2 1 277.456 3.542 20 0 CHADMP CC[C@@H](C)[NH+](C)Cc1cncc(C[N@H+](C)[C@@H](C)CC)c1 ZINC000570771528 1128632298 /nfs/dbraw/zinc/63/22/98/1128632298.db2.gz BPZTWOPNDSHTBH-GASCZTMLSA-N 2 1 277.456 3.542 20 0 CHADMP CC[C@@H](C)[NH+](C)Cc1cncc(C[N@@H+](C)[C@@H](C)CC)c1 ZINC000570771528 1128632299 /nfs/dbraw/zinc/63/22/99/1128632299.db2.gz BPZTWOPNDSHTBH-GASCZTMLSA-N 2 1 277.456 3.542 20 0 CHADMP CC(C)Cc1cccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)c1 ZINC000556893390 1128636830 /nfs/dbraw/zinc/63/68/30/1128636830.db2.gz YPDASSAHSCESDO-OAHLLOKOSA-N 2 1 285.435 3.512 20 0 CHADMP C[N@@H+](CCCC1CCCCC1)CC1CC[NH+](C)CC1 ZINC000572323958 1128643735 /nfs/dbraw/zinc/64/37/35/1128643735.db2.gz BLDFFXVEOQJBSP-UHFFFAOYSA-N 2 1 266.473 3.621 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1c[nH+]ccc1N)CCC2 ZINC000573593208 1128656215 /nfs/dbraw/zinc/65/62/15/1128656215.db2.gz JJIPWHOVILKNDB-UGSOOPFHSA-N 2 1 281.403 3.531 20 0 CHADMP CC[N@@H+](CCCC1CC[NH+](C(C)C)CC1)C(C)C ZINC000499255969 1128666018 /nfs/dbraw/zinc/66/60/18/1128666018.db2.gz ZCGUCECTSCKALH-UHFFFAOYSA-N 2 1 254.462 3.617 20 0 CHADMP CC[NH+]1CCC([N@H+](C)CCCC2CCCCC2)CC1 ZINC000578818799 1128729992 /nfs/dbraw/zinc/72/99/92/1128729992.db2.gz PXMRFCJWBCQOKT-UHFFFAOYSA-N 2 1 266.473 3.763 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)CCCC2CCCCC2)CC1 ZINC000578818799 1128729996 /nfs/dbraw/zinc/72/99/96/1128729996.db2.gz PXMRFCJWBCQOKT-UHFFFAOYSA-N 2 1 266.473 3.763 20 0 CHADMP Cc1cccc([C@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000799177879 1128731697 /nfs/dbraw/zinc/73/16/97/1128731697.db2.gz WUWDRPQHRXGWAW-KRWDZBQOSA-N 2 1 286.463 3.864 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)c(Cl)c1 ZINC000643546993 1117793924 /nfs/dbraw/zinc/79/39/24/1117793924.db2.gz YDYHKGSXCDTMLN-WCQYABFASA-N 2 1 296.817 3.804 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1Cl ZINC000643546809 1117794790 /nfs/dbraw/zinc/79/47/90/1117794790.db2.gz VGWSWKZJEVTOSW-CHWSQXEVSA-N 2 1 278.827 3.665 20 0 CHADMP Cc1ccc([C@@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)C2CCC2)o1 ZINC000643547467 1117797087 /nfs/dbraw/zinc/79/70/87/1117797087.db2.gz FVACGBYYTCOMOI-WBVHZDCISA-N 2 1 288.435 3.694 20 0 CHADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCC3CCCCC3)CC[C@@H]21 ZINC000579057136 1128736847 /nfs/dbraw/zinc/73/68/47/1128736847.db2.gz RDGZHWITBGMNMO-MSOLQXFVSA-N 2 1 278.484 3.763 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(Cl)c1 ZINC000623336703 1117833490 /nfs/dbraw/zinc/83/34/90/1117833490.db2.gz AQHQUAWAJCYTIF-IUODEOHRSA-N 2 1 280.843 3.863 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(Cl)c1 ZINC000623336702 1117834946 /nfs/dbraw/zinc/83/49/46/1117834946.db2.gz AQHQUAWAJCYTIF-DOMZBBRYSA-N 2 1 280.843 3.863 20 0 CHADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623343534 1117836011 /nfs/dbraw/zinc/83/60/11/1117836011.db2.gz YXDNNTHIPYEFSD-IRXDYDNUSA-N 2 1 292.442 3.985 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623358251 1117840708 /nfs/dbraw/zinc/84/07/08/1117840708.db2.gz VOMBMNOMIAPPKK-FZCLSBEQSA-N 2 1 278.484 3.523 20 0 CHADMP CC/C=C\CCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001236364572 1128738641 /nfs/dbraw/zinc/73/86/41/1128738641.db2.gz YWBPIOUELJATHQ-JHZNUDOXSA-N 2 1 292.389 3.725 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001236364572 1128738643 /nfs/dbraw/zinc/73/86/43/1128738643.db2.gz YWBPIOUELJATHQ-JHZNUDOXSA-N 2 1 292.389 3.725 20 0 CHADMP CSc1ccc(F)cc1CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623437035 1117854459 /nfs/dbraw/zinc/85/44/59/1117854459.db2.gz PEHKEFGFAJKWPU-AWEZNQCLSA-N 2 1 296.455 3.510 20 0 CHADMP CSc1ccc(F)cc1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623437035 1117854464 /nfs/dbraw/zinc/85/44/64/1117854464.db2.gz PEHKEFGFAJKWPU-AWEZNQCLSA-N 2 1 296.455 3.510 20 0 CHADMP CSc1ccc(F)cc1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623437035 1117854469 /nfs/dbraw/zinc/85/44/69/1117854469.db2.gz PEHKEFGFAJKWPU-AWEZNQCLSA-N 2 1 296.455 3.510 20 0 CHADMP CC1=C[C@H](C)[C@@H](C[NH+]2CCC([N@@H+](C)C3CC3)CC2)CC1 ZINC001208181398 1117860470 /nfs/dbraw/zinc/86/04/70/1117860470.db2.gz MBOPKHIVPSUOPX-JKSUJKDBSA-N 2 1 276.468 3.537 20 0 CHADMP Cc1oc2ccccc2c1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623494546 1117862125 /nfs/dbraw/zinc/86/21/25/1117862125.db2.gz UKBQGFDWLZUAEA-AWEZNQCLSA-N 2 1 286.419 3.704 20 0 CHADMP Cc1oc2ccccc2c1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623494546 1117862130 /nfs/dbraw/zinc/86/21/30/1117862130.db2.gz UKBQGFDWLZUAEA-AWEZNQCLSA-N 2 1 286.419 3.704 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CC2CC(c3ccccc3)C2)CC1(C)C ZINC000623516475 1117866141 /nfs/dbraw/zinc/86/61/41/1117866141.db2.gz TZRNUCYUKOGWLI-VMWRSERWSA-N 2 1 286.463 3.643 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C(C)(C)C)CC1(C)C ZINC000623551410 1117871906 /nfs/dbraw/zinc/87/19/06/1117871906.db2.gz XNBLCVFGWVETBV-SOUVJXGZSA-N 2 1 266.473 3.664 20 0 CHADMP C([NH2+]C1CCSCC1)[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000109077270 1117874415 /nfs/dbraw/zinc/87/44/15/1117874415.db2.gz KNTNUIKOBLLXEL-QGZVFWFLSA-N 2 1 296.524 3.516 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cccc2ccccc21 ZINC000177984206 1117883673 /nfs/dbraw/zinc/88/36/73/1117883673.db2.gz HGMOUMIVDNASEP-QINHECLXSA-N 2 1 296.458 3.701 20 0 CHADMP C[C@@H](NCC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccoc1 ZINC000178225085 1117890578 /nfs/dbraw/zinc/89/05/78/1117890578.db2.gz QUUFACQCGXVKLU-JKSUJKDBSA-N 2 1 286.419 3.841 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)C1CCCCC1 ZINC000178707782 1117895449 /nfs/dbraw/zinc/89/54/49/1117895449.db2.gz LNUMLWAUZFCTIX-RHSMWYFYSA-N 2 1 277.456 3.776 20 0 CHADMP CC[N@H+](CCC[NH2+][C@@H](C)c1ccncc1)C1CCCCC1 ZINC000650131606 1117896668 /nfs/dbraw/zinc/89/66/68/1117896668.db2.gz USOAGWIOCOITHV-INIZCTEOSA-N 2 1 289.467 3.777 20 0 CHADMP CC[N@@H+](CCC[NH2+][C@@H](C)c1ccncc1)C1CCCCC1 ZINC000650131606 1117896671 /nfs/dbraw/zinc/89/66/71/1117896671.db2.gz USOAGWIOCOITHV-INIZCTEOSA-N 2 1 289.467 3.777 20 0 CHADMP CCC[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000036996403 1117955152 /nfs/dbraw/zinc/95/51/52/1117955152.db2.gz ZJSPOYPYHMROCU-RCCFBDPRSA-N 2 1 272.436 3.744 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000036996403 1117955158 /nfs/dbraw/zinc/95/51/58/1117955158.db2.gz ZJSPOYPYHMROCU-RCCFBDPRSA-N 2 1 272.436 3.744 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000036996403 1117955160 /nfs/dbraw/zinc/95/51/60/1117955160.db2.gz ZJSPOYPYHMROCU-RCCFBDPRSA-N 2 1 272.436 3.744 20 0 CHADMP CC[C@@H](CCc1ccccc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000623999571 1117967800 /nfs/dbraw/zinc/96/78/00/1117967800.db2.gz VEFFVVYMTWIPNL-MOPGFXCFSA-N 2 1 288.479 3.719 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000624120014 1117983909 /nfs/dbraw/zinc/98/39/09/1117983909.db2.gz POHXIQRBOILMPD-PBHICJAKSA-N 2 1 278.415 3.598 20 0 CHADMP Cc1ccc([C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C2CCC2)o1 ZINC000624121701 1117985047 /nfs/dbraw/zinc/98/50/47/1117985047.db2.gz BFIQCGFOXLKUAK-QAPCUYQASA-N 2 1 290.451 3.751 20 0 CHADMP Cc1ccc([C@@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)C2CCC2)o1 ZINC000624121701 1117985049 /nfs/dbraw/zinc/98/50/49/1117985049.db2.gz BFIQCGFOXLKUAK-QAPCUYQASA-N 2 1 290.451 3.751 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(C)cc1 ZINC000624119595 1117985853 /nfs/dbraw/zinc/98/58/53/1117985853.db2.gz FTGQBOJIUPGWLN-SJLPKXTDSA-N 2 1 274.452 3.768 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000624123079 1117986144 /nfs/dbraw/zinc/98/61/44/1117986144.db2.gz FNNGLJWSOUWZCO-YHUYYLMFSA-N 2 1 292.492 3.562 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(F)cc1F ZINC000624121262 1117986270 /nfs/dbraw/zinc/98/62/70/1117986270.db2.gz RWKGMRXMCOVBDW-DYVFJYSZSA-N 2 1 296.405 3.737 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1F ZINC000624121262 1117986275 /nfs/dbraw/zinc/98/62/75/1117986275.db2.gz RWKGMRXMCOVBDW-DYVFJYSZSA-N 2 1 296.405 3.737 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(F)cc1Cl ZINC000624121284 1117986382 /nfs/dbraw/zinc/98/63/82/1117986382.db2.gz SGMWCFUNHRHOJC-STQMWFEESA-N 2 1 298.833 3.862 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1Cl ZINC000624121284 1117986385 /nfs/dbraw/zinc/98/63/85/1117986385.db2.gz SGMWCFUNHRHOJC-STQMWFEESA-N 2 1 298.833 3.862 20 0 CHADMP CC(C)CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C1CC1 ZINC000624123107 1117986461 /nfs/dbraw/zinc/98/64/61/1117986461.db2.gz FYUIYBBVKRODKJ-WBVHZDCISA-N 2 1 266.473 3.523 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225880928 1118168156 /nfs/dbraw/zinc/16/81/56/1118168156.db2.gz PCTSCVWFNUEZCS-UNEWFSDZSA-N 2 1 292.854 3.865 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225880928 1118168157 /nfs/dbraw/zinc/16/81/57/1118168157.db2.gz PCTSCVWFNUEZCS-UNEWFSDZSA-N 2 1 292.854 3.865 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)s1 ZINC000019913191 1118173462 /nfs/dbraw/zinc/17/34/62/1118173462.db2.gz NZAXWRHAJZKZCT-HIFRSBDPSA-N 2 1 280.481 3.972 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCc2cc(C)cc(C)c21 ZINC000655715227 1118191965 /nfs/dbraw/zinc/19/19/65/1118191965.db2.gz HSIXHJQNCYRFSG-SFHVURJKSA-N 2 1 297.446 3.866 20 0 CHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(C)o2)C2CCC2)C1 ZINC000542665210 1118196452 /nfs/dbraw/zinc/19/64/52/1118196452.db2.gz GPWRZGCAWUIABD-CRAIPNDOSA-N 2 1 290.451 3.751 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(C)o2)C2CCC2)C1 ZINC000542665210 1118196455 /nfs/dbraw/zinc/19/64/55/1118196455.db2.gz GPWRZGCAWUIABD-CRAIPNDOSA-N 2 1 290.451 3.751 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CCCN(C)C1 ZINC000118841364 1118234041 /nfs/dbraw/zinc/23/40/41/1118234041.db2.gz NFXBEFAAFXVGQI-UONOGXRCSA-N 2 1 280.843 3.675 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841364 1118234046 /nfs/dbraw/zinc/23/40/46/1118234046.db2.gz NFXBEFAAFXVGQI-UONOGXRCSA-N 2 1 280.843 3.675 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841364 1118234050 /nfs/dbraw/zinc/23/40/50/1118234050.db2.gz NFXBEFAAFXVGQI-UONOGXRCSA-N 2 1 280.843 3.675 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841364 1118234053 /nfs/dbraw/zinc/23/40/53/1118234053.db2.gz NFXBEFAAFXVGQI-UONOGXRCSA-N 2 1 280.843 3.675 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c(C)o1 ZINC000683692295 1118288414 /nfs/dbraw/zinc/28/84/14/1118288414.db2.gz RRKFDPBAHWREJE-UKRRQHHQSA-N 2 1 278.440 3.812 20 0 CHADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C4CCCC4)C3)C2)cc1 ZINC000671723257 1118309842 /nfs/dbraw/zinc/30/98/42/1118309842.db2.gz IZLDGSAHLHGTEE-LJQANCHMSA-N 2 1 284.447 3.527 20 0 CHADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C4CCCC4)C3)C2)cc1 ZINC000671723257 1118309847 /nfs/dbraw/zinc/30/98/47/1118309847.db2.gz IZLDGSAHLHGTEE-LJQANCHMSA-N 2 1 284.447 3.527 20 0 CHADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C4CCCC4)C3)C2)cc1 ZINC000671723257 1118309850 /nfs/dbraw/zinc/30/98/50/1118309850.db2.gz IZLDGSAHLHGTEE-LJQANCHMSA-N 2 1 284.447 3.527 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001649095581 1118347233 /nfs/dbraw/zinc/34/72/33/1118347233.db2.gz FXFUZDYDKHUMGL-BPQIPLTHSA-N 2 1 278.484 3.809 20 0 CHADMP CCOc1cccc([C@@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)c1 ZINC000539279161 1118350547 /nfs/dbraw/zinc/35/05/47/1118350547.db2.gz ABQLUKARYNSKLD-NVXWUHKLSA-N 2 1 290.451 3.610 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1csc2ccccc12 ZINC000069754384 1118370967 /nfs/dbraw/zinc/37/09/67/1118370967.db2.gz ABMAXYCTOQKAJT-UHFFFAOYSA-N 2 1 285.416 3.586 20 0 CHADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cccc(Cl)c3F)(C1)CCC2 ZINC001279438349 1118373496 /nfs/dbraw/zinc/37/34/96/1118373496.db2.gz ZOHNBWFKBQKIHK-JKSUJKDBSA-N 2 1 296.817 3.634 20 0 CHADMP Cc1ccc2oc(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)cc2c1 ZINC000580097455 1118378399 /nfs/dbraw/zinc/37/83/99/1118378399.db2.gz NQONCMHRADDPNI-CKEIUWERSA-N 2 1 286.419 3.560 20 0 CHADMP Cc1ccc2oc(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)cc2c1 ZINC000580097455 1118378402 /nfs/dbraw/zinc/37/84/02/1118378402.db2.gz NQONCMHRADDPNI-CKEIUWERSA-N 2 1 286.419 3.560 20 0 CHADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000230770862 1118388049 /nfs/dbraw/zinc/38/80/49/1118388049.db2.gz IWRRPFUUXYSGQF-ULQDDVLXSA-N 2 1 266.473 3.523 20 0 CHADMP CC(C)C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000086818007 1118397626 /nfs/dbraw/zinc/39/76/26/1118397626.db2.gz FTNIRVXXCOVQSP-MSOLQXFVSA-N 2 1 274.452 3.848 20 0 CHADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000765783202 1118405640 /nfs/dbraw/zinc/40/56/40/1118405640.db2.gz KOTJZJFGDBDXTD-VQIMIIECSA-N 2 1 286.463 3.692 20 0 CHADMP CCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001659026270 1118474964 /nfs/dbraw/zinc/47/49/64/1118474964.db2.gz SMCAJWTWYJJITR-WBVHZDCISA-N 2 1 266.473 3.952 20 0 CHADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H](C)CC1 ZINC001649270662 1118476147 /nfs/dbraw/zinc/47/61/47/1118476147.db2.gz WIJYMVRCPFWBQI-GVDBMIGSSA-N 2 1 266.473 3.809 20 0 CHADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H](C)CC1 ZINC001649270662 1118476151 /nfs/dbraw/zinc/47/61/51/1118476151.db2.gz WIJYMVRCPFWBQI-GVDBMIGSSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000262001649 1118479186 /nfs/dbraw/zinc/47/91/86/1118479186.db2.gz VFWWKGCVSNQRGP-JXFKEZNVSA-N 2 1 294.442 3.913 20 0 CHADMP CC(C)CC[C@H](C)[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000398301432 1118517220 /nfs/dbraw/zinc/51/72/20/1118517220.db2.gz GNFBUIAKSXIBHB-GDAAHCPNSA-N 2 1 286.463 3.531 20 0 CHADMP CC(C)CC[C@H](C)[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000398301432 1118517223 /nfs/dbraw/zinc/51/72/23/1118517223.db2.gz GNFBUIAKSXIBHB-GDAAHCPNSA-N 2 1 286.463 3.531 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1)C(C)(C)C ZINC000127407919 1118520811 /nfs/dbraw/zinc/52/08/11/1118520811.db2.gz CWRWLOPSIGWDOZ-UHFFFAOYSA-N 2 1 285.435 3.882 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1)C(C)(C)C ZINC000127407919 1118520813 /nfs/dbraw/zinc/52/08/13/1118520813.db2.gz CWRWLOPSIGWDOZ-UHFFFAOYSA-N 2 1 285.435 3.882 20 0 CHADMP C[C@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C[C@@H](C)C1 ZINC000398313274 1118525224 /nfs/dbraw/zinc/52/52/24/1118525224.db2.gz UNPQLUDSRDFUAE-TWEMXRKNSA-N 2 1 298.474 3.531 20 0 CHADMP C[C@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C[C@@H](C)C1 ZINC000398313274 1118525226 /nfs/dbraw/zinc/52/52/26/1118525226.db2.gz UNPQLUDSRDFUAE-TWEMXRKNSA-N 2 1 298.474 3.531 20 0 CHADMP CC(F)(F)CCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000296211059 1118561616 /nfs/dbraw/zinc/56/16/16/1118561616.db2.gz ZUCHOTZCZBJXKP-UHFFFAOYSA-N 2 1 296.405 3.676 20 0 CHADMP C[C@H]1C[N@@H+](Cc2cccc(C3CCCC3)c2)CC[C@H]1[NH3+] ZINC000656784901 1118657583 /nfs/dbraw/zinc/65/75/83/1118657583.db2.gz FDNXNDIBDMXLQZ-KBXCAEBGSA-N 2 1 272.436 3.513 20 0 CHADMP C[NH2+]C1CC[NH+](Cc2cccc(C3CCCC3)c2)CC1 ZINC000656786454 1118658348 /nfs/dbraw/zinc/65/83/48/1118658348.db2.gz MQBMQVHRWKJRIL-UHFFFAOYSA-N 2 1 272.436 3.528 20 0 CHADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(C2CCCC2)c1 ZINC000656786767 1118659098 /nfs/dbraw/zinc/65/90/98/1118659098.db2.gz QHHCQELRTRFOSH-GDBMZVCRSA-N 2 1 272.436 3.513 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000077329759 1118662608 /nfs/dbraw/zinc/66/26/08/1118662608.db2.gz QCWWTQHVJBHNLK-UHFFFAOYSA-N 2 1 298.217 3.678 20 0 CHADMP c1ccc(C2CC2)c(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000684425577 1118700750 /nfs/dbraw/zinc/70/07/50/1118700750.db2.gz VDUADAYKLFAFJW-UHFFFAOYSA-N 2 1 284.447 3.671 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000341530848 1118721254 /nfs/dbraw/zinc/72/12/54/1118721254.db2.gz MFXZBCOWUSTDME-UHFFFAOYSA-N 2 1 294.405 3.675 20 0 CHADMP C[C@@H](c1cccc2ccccc21)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000131501676 1118760043 /nfs/dbraw/zinc/76/00/43/1118760043.db2.gz JAWTZEWGZPQESA-QLFBSQMISA-N 2 1 268.404 3.570 20 0 CHADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]2CCCF)CCCCC1 ZINC000510707691 1118792155 /nfs/dbraw/zinc/79/21/55/1118792155.db2.gz XDTSYUXFZUXREF-JKSUJKDBSA-N 2 1 284.463 3.759 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000510751145 1118806503 /nfs/dbraw/zinc/80/65/03/1118806503.db2.gz LLSKLFPSAFNDPB-BPQIPLTHSA-N 2 1 278.484 3.523 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CCCF)C1 ZINC000510756009 1118807025 /nfs/dbraw/zinc/80/70/25/1118807025.db2.gz YHEINOBJKPMJBH-BRWVUGGUSA-N 2 1 284.463 3.615 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1=CCCC1 ZINC000401183125 1118808519 /nfs/dbraw/zinc/80/85/19/1118808519.db2.gz VWZSNKOQCQGDDG-LPHOPBHVSA-N 2 1 284.447 3.597 20 0 CHADMP CCSc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000349599304 1118816858 /nfs/dbraw/zinc/81/68/58/1118816858.db2.gz NWPDVJMEMPOYJS-IRXDYDNUSA-N 2 1 290.476 3.515 20 0 CHADMP CCSc1cccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000349599304 1118816862 /nfs/dbraw/zinc/81/68/62/1118816862.db2.gz NWPDVJMEMPOYJS-IRXDYDNUSA-N 2 1 290.476 3.515 20 0 CHADMP CCSc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000349599305 1118817064 /nfs/dbraw/zinc/81/70/64/1118817064.db2.gz NWPDVJMEMPOYJS-SJORKVTESA-N 2 1 290.476 3.515 20 0 CHADMP CCSc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000349599305 1118817070 /nfs/dbraw/zinc/81/70/70/1118817070.db2.gz NWPDVJMEMPOYJS-SJORKVTESA-N 2 1 290.476 3.515 20 0 CHADMP CC(C)(C)C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000380910060 1118964785 /nfs/dbraw/zinc/96/47/85/1118964785.db2.gz KRGAASIQSMHCJS-QGZVFWFLSA-N 2 1 274.452 3.534 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000342292694 1118969799 /nfs/dbraw/zinc/96/97/99/1118969799.db2.gz GBMNMCMEMJIKHF-CQSZACIVSA-N 2 1 289.398 3.770 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(F)c(C)c1 ZINC000342292673 1118970146 /nfs/dbraw/zinc/97/01/46/1118970146.db2.gz GBMNMCMEMJIKHF-AWEZNQCLSA-N 2 1 289.398 3.770 20 0 CHADMP CCc1cccc2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)oc21 ZINC000657313769 1118989098 /nfs/dbraw/zinc/98/90/98/1118989098.db2.gz OMXVSDBAGQORJY-DLBZAZTESA-N 2 1 298.430 3.712 20 0 CHADMP CCc1cccc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)oc21 ZINC000657313769 1118989100 /nfs/dbraw/zinc/98/91/00/1118989100.db2.gz OMXVSDBAGQORJY-DLBZAZTESA-N 2 1 298.430 3.712 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@@H+](Cc1ccccc1)C(C)(C)C ZINC001207275388 1118992156 /nfs/dbraw/zinc/99/21/56/1118992156.db2.gz MKIDGFVASHNMPO-UHFFFAOYSA-N 2 1 276.468 3.875 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC001207276512 1118999918 /nfs/dbraw/zinc/99/99/18/1118999918.db2.gz YMBWZEGYIOZXHV-MRXNPFEDSA-N 2 1 278.415 3.550 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC001207276512 1118999921 /nfs/dbraw/zinc/99/99/21/1118999921.db2.gz YMBWZEGYIOZXHV-MRXNPFEDSA-N 2 1 278.415 3.550 20 0 CHADMP CC(C)[NH+](CCC[NH2+][C@@H]1CCCc2cccnc21)C(C)C ZINC000684956962 1119141316 /nfs/dbraw/zinc/14/13/16/1119141316.db2.gz DPFOAQAHIBANLF-QGZVFWFLSA-N 2 1 289.467 3.558 20 0 CHADMP CSc1cc(C)ccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000119274447 1119208493 /nfs/dbraw/zinc/20/84/93/1119208493.db2.gz LLDZLMIAFUHIBP-SQWLQELKSA-N 2 1 292.492 3.535 20 0 CHADMP CSc1cc(C)ccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000119274447 1119208496 /nfs/dbraw/zinc/20/84/96/1119208496.db2.gz LLDZLMIAFUHIBP-SQWLQELKSA-N 2 1 292.492 3.535 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000342861010 1119214700 /nfs/dbraw/zinc/21/47/00/1119214700.db2.gz UNNVNPLRAGKIRL-IBGZPJMESA-N 2 1 297.446 3.679 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000342861010 1119214702 /nfs/dbraw/zinc/21/47/02/1119214702.db2.gz UNNVNPLRAGKIRL-IBGZPJMESA-N 2 1 297.446 3.679 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000342860568 1119215328 /nfs/dbraw/zinc/21/53/28/1119215328.db2.gz PIRIBHPYPXFYNW-APWZRJJASA-N 2 1 297.446 3.707 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000342860568 1119215331 /nfs/dbraw/zinc/21/53/31/1119215331.db2.gz PIRIBHPYPXFYNW-APWZRJJASA-N 2 1 297.446 3.707 20 0 CHADMP CC(C)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000342870763 1119220620 /nfs/dbraw/zinc/22/06/20/1119220620.db2.gz HDJXBEROXPYLIR-UHFFFAOYSA-N 2 1 286.463 3.631 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000583294973 1119337170 /nfs/dbraw/zinc/33/71/70/1119337170.db2.gz JAUAIWDOENWBFN-BHIYHBOVSA-N 2 1 286.463 3.534 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C2CC3(CCC3)C2)C1 ZINC000448056557 1119359224 /nfs/dbraw/zinc/35/92/24/1119359224.db2.gz OOLNPKVEWYIOMC-IYBDPMFKSA-N 2 1 278.484 3.667 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000537976605 1119365053 /nfs/dbraw/zinc/36/50/53/1119365053.db2.gz CRHTWKUGCXVPBJ-NXHRZFHOSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000537976605 1119365056 /nfs/dbraw/zinc/36/50/56/1119365056.db2.gz CRHTWKUGCXVPBJ-NXHRZFHOSA-N 2 1 286.463 3.675 20 0 CHADMP CCC(CC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566620060 1119382000 /nfs/dbraw/zinc/38/20/00/1119382000.db2.gz ZLPBRSFDTJJVIX-SFHVURJKSA-N 2 1 286.463 3.962 20 0 CHADMP CCC(CC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566620060 1119382003 /nfs/dbraw/zinc/38/20/03/1119382003.db2.gz ZLPBRSFDTJJVIX-SFHVURJKSA-N 2 1 286.463 3.962 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(SC)c(F)c2)C1 ZINC000163249355 1119382439 /nfs/dbraw/zinc/38/24/39/1119382439.db2.gz QGJOWYCIVHVYIH-STQMWFEESA-N 2 1 296.455 3.540 20 0 CHADMP Clc1ccccc1C1([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000650740289 1119394436 /nfs/dbraw/zinc/39/44/36/1119394436.db2.gz KEDPMQHCECXNAR-PBWFPOADSA-N 2 1 290.838 3.592 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@@H](C(C)C)[C@@H](C)C1 ZINC000536138304 1119420427 /nfs/dbraw/zinc/42/04/27/1119420427.db2.gz XVKODLVDVQFBQE-ATLSCFEFSA-N 2 1 291.483 3.878 20 0 CHADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]C3(CF)CCC3)CC2)C1 ZINC000583872746 1119428309 /nfs/dbraw/zinc/42/83/09/1119428309.db2.gz AVPYZLPBAYDBNY-HOCLYGCPSA-N 2 1 282.447 3.511 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCC(C)(C)CC2)C1 ZINC000250520194 1119441763 /nfs/dbraw/zinc/44/17/63/1119441763.db2.gz SJCZIOIATQCFKV-HOTGVXAUSA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000657829882 1119480347 /nfs/dbraw/zinc/48/03/47/1119480347.db2.gz BAMYHJRNDPESAG-CYBMUJFWSA-N 2 1 291.464 3.677 20 0 CHADMP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623385017 1119485354 /nfs/dbraw/zinc/48/53/54/1119485354.db2.gz YGCSGIDPMOHJLD-LSDHHAIUSA-N 2 1 290.451 3.609 20 0 CHADMP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623385017 1119485356 /nfs/dbraw/zinc/48/53/56/1119485356.db2.gz YGCSGIDPMOHJLD-LSDHHAIUSA-N 2 1 290.451 3.609 20 0 CHADMP Cc1ccc([C@@H](C)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000628182040 1119492522 /nfs/dbraw/zinc/49/25/22/1119492522.db2.gz AMJQGOUHZLBPTA-ROUUACIJSA-N 2 1 286.463 3.516 20 0 CHADMP C[C@@H](c1ccc(F)cc1)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081631270 1119520218 /nfs/dbraw/zinc/52/02/18/1119520218.db2.gz FSFOCNIPMNVUNJ-GOEBONIOSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081631270 1119520223 /nfs/dbraw/zinc/52/02/23/1119520223.db2.gz FSFOCNIPMNVUNJ-GOEBONIOSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081631270 1119520226 /nfs/dbraw/zinc/52/02/26/1119520226.db2.gz FSFOCNIPMNVUNJ-GOEBONIOSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@@H](c1ccc(F)cc1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081631270 1119520230 /nfs/dbraw/zinc/52/02/30/1119520230.db2.gz FSFOCNIPMNVUNJ-GOEBONIOSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@@H](c1ccc(F)cc1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081631270 1119520233 /nfs/dbraw/zinc/52/02/33/1119520233.db2.gz FSFOCNIPMNVUNJ-GOEBONIOSA-N 2 1 290.426 3.550 20 0 CHADMP CC[N@@H+](C)Cc1cccc(CNc2nc3ccccc3[nH]2)c1 ZINC000091457194 1119557400 /nfs/dbraw/zinc/55/74/00/1119557400.db2.gz BZXZAITTXBNTTI-UHFFFAOYSA-N 2 1 294.402 3.627 20 0 CHADMP CC[N@H+](C)Cc1cccc(CNc2[nH]c3ccccc3[nH+]2)c1 ZINC000091457194 1119557404 /nfs/dbraw/zinc/55/74/04/1119557404.db2.gz BZXZAITTXBNTTI-UHFFFAOYSA-N 2 1 294.402 3.627 20 0 CHADMP CC[N@@H+](C)Cc1cccc(CNc2[nH]c3ccccc3[nH+]2)c1 ZINC000091457194 1119557408 /nfs/dbraw/zinc/55/74/08/1119557408.db2.gz BZXZAITTXBNTTI-UHFFFAOYSA-N 2 1 294.402 3.627 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCSCC2)c1 ZINC000657871352 1119580405 /nfs/dbraw/zinc/58/04/05/1119580405.db2.gz JTYWADSTXVCAEX-QGZVFWFLSA-N 2 1 292.492 3.514 20 0 CHADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+]C2C[C@H](C)C[C@@H](C)C2)C1 ZINC001258155085 1128859741 /nfs/dbraw/zinc/85/97/41/1128859741.db2.gz AATWIIRGAJRLPT-KFWWJZLASA-N 2 1 266.473 3.664 20 0 CHADMP CCC(CC)[N@H+]1CC[C@H]([NH2+]C2C[C@H](C)C[C@@H](C)C2)C1 ZINC001258155085 1128859750 /nfs/dbraw/zinc/85/97/50/1128859750.db2.gz AATWIIRGAJRLPT-KFWWJZLASA-N 2 1 266.473 3.664 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000685657880 1119647715 /nfs/dbraw/zinc/64/77/15/1119647715.db2.gz IYXDLBSCZAYHJU-KGLIPLIRSA-N 2 1 290.442 3.910 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000685657880 1119647718 /nfs/dbraw/zinc/64/77/18/1119647718.db2.gz IYXDLBSCZAYHJU-KGLIPLIRSA-N 2 1 290.442 3.910 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2ccoc2)cc1 ZINC000658201004 1119700783 /nfs/dbraw/zinc/70/07/83/1119700783.db2.gz PQNONNVKXASZNK-CQSZACIVSA-N 2 1 295.386 3.667 20 0 CHADMP C[C@@H](CCC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658228164 1119706681 /nfs/dbraw/zinc/70/66/81/1119706681.db2.gz GWBROEXVWBQEPI-STQMWFEESA-N 2 1 292.389 3.714 20 0 CHADMP C[C@@H](CCC(F)(F)F)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658228164 1119706683 /nfs/dbraw/zinc/70/66/83/1119706683.db2.gz GWBROEXVWBQEPI-STQMWFEESA-N 2 1 292.389 3.714 20 0 CHADMP Cc1ccc([C@H](C)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000628252094 1119762203 /nfs/dbraw/zinc/76/22/03/1119762203.db2.gz HZWZWWGIEXCHBI-SJLPKXTDSA-N 2 1 274.452 3.515 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCC[C@H]2CCc2ccccc2)CC1 ZINC000545242234 1119772947 /nfs/dbraw/zinc/77/29/47/1119772947.db2.gz PORUOJNAXBITHZ-PMACEKPBSA-N 2 1 298.474 3.639 20 0 CHADMP CC[C@H]1CCCC[C@H]1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000628272944 1119781516 /nfs/dbraw/zinc/78/15/16/1119781516.db2.gz CTRDCPJREGYRCV-SZNINPNASA-N 2 1 278.484 3.760 20 0 CHADMP CC[C@H]1CCCC[C@H]1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000628272944 1119781521 /nfs/dbraw/zinc/78/15/21/1119781521.db2.gz CTRDCPJREGYRCV-SZNINPNASA-N 2 1 278.484 3.760 20 0 CHADMP Cc1ccc([C@H](C)C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000628281212 1119789875 /nfs/dbraw/zinc/78/98/75/1119789875.db2.gz HQSFURHVWTXQFJ-QRQLOZEOSA-N 2 1 286.463 3.515 20 0 CHADMP Cc1ccc([C@H](C)C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000628281212 1119789877 /nfs/dbraw/zinc/78/98/77/1119789877.db2.gz HQSFURHVWTXQFJ-QRQLOZEOSA-N 2 1 286.463 3.515 20 0 CHADMP Cc1ccc([C@H](C)C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000628281212 1119789879 /nfs/dbraw/zinc/78/98/79/1119789879.db2.gz HQSFURHVWTXQFJ-QRQLOZEOSA-N 2 1 286.463 3.515 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000531140110 1119794525 /nfs/dbraw/zinc/79/45/25/1119794525.db2.gz MIQQYZOMROLIGR-XJKSGUPXSA-N 2 1 280.843 3.645 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000531140110 1119794526 /nfs/dbraw/zinc/79/45/26/1119794526.db2.gz MIQQYZOMROLIGR-XJKSGUPXSA-N 2 1 280.843 3.645 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000531140110 1119794528 /nfs/dbraw/zinc/79/45/28/1119794528.db2.gz MIQQYZOMROLIGR-XJKSGUPXSA-N 2 1 280.843 3.645 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000531140110 1119794530 /nfs/dbraw/zinc/79/45/30/1119794530.db2.gz MIQQYZOMROLIGR-XJKSGUPXSA-N 2 1 280.843 3.645 20 0 CHADMP CC[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000570072241 1119796601 /nfs/dbraw/zinc/79/66/01/1119796601.db2.gz UZZOVYRZVXPEJY-CRAIPNDOSA-N 2 1 274.452 3.805 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC000376006396 1119807111 /nfs/dbraw/zinc/80/71/11/1119807111.db2.gz JCVPKKCBBHZRMY-ODVANORSSA-N 2 1 292.854 3.658 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)CC[N@H+]1C ZINC000376006396 1119807114 /nfs/dbraw/zinc/80/71/14/1119807114.db2.gz JCVPKKCBBHZRMY-ODVANORSSA-N 2 1 292.854 3.658 20 0 CHADMP C[C@H]1CC2(C[N@H+]1Cc1ccccc1C1CC1)CC[NH2+]CC2 ZINC000643973746 1119825595 /nfs/dbraw/zinc/82/55/95/1119825595.db2.gz BZIBZGZCKWHASX-HNNXBMFYSA-N 2 1 284.447 3.528 20 0 CHADMP CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000317039705 1119827435 /nfs/dbraw/zinc/82/74/35/1119827435.db2.gz FUWBUOIAVSTPNU-BKTGTZMESA-N 2 1 296.414 3.881 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000309761422 1119835309 /nfs/dbraw/zinc/83/53/09/1119835309.db2.gz YDSGLAYKFNZYST-RTBURBONSA-N 2 1 288.479 3.923 20 0 CHADMP CCC[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1)c1ccccc1 ZINC000647498630 1119850270 /nfs/dbraw/zinc/85/02/70/1119850270.db2.gz LLTMKCQQJQROBK-KBAYOESNSA-N 2 1 274.452 3.630 20 0 CHADMP CCC[C@H](C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1)c1ccccc1 ZINC000647498631 1119850717 /nfs/dbraw/zinc/85/07/17/1119850717.db2.gz LLTMKCQQJQROBK-NXHRZFHOSA-N 2 1 274.452 3.630 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@@H]2C)CC1 ZINC000414074309 1119883008 /nfs/dbraw/zinc/88/30/08/1119883008.db2.gz OAILGAQGAJZHOF-FRQCXROJSA-N 2 1 286.463 3.594 20 0 CHADMP CC[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138549456 1128876184 /nfs/dbraw/zinc/87/61/84/1128876184.db2.gz WYLIQMDBFRJUJS-QGZVFWFLSA-N 2 1 283.419 3.945 20 0 CHADMP CC[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138549456 1128876188 /nfs/dbraw/zinc/87/61/88/1128876188.db2.gz WYLIQMDBFRJUJS-QGZVFWFLSA-N 2 1 283.419 3.945 20 0 CHADMP CCC[C@H](C)[C@H](CC)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414176446 1119928233 /nfs/dbraw/zinc/92/82/33/1119928233.db2.gz IZZWHQCSIHJLLF-JYJNAYRXSA-N 2 1 254.462 3.523 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000414179661 1119928849 /nfs/dbraw/zinc/92/88/49/1119928849.db2.gz LLDVZNZBTBJIQU-WBVHZDCISA-N 2 1 274.452 3.632 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000414179659 1119928972 /nfs/dbraw/zinc/92/89/72/1119928972.db2.gz LLDVZNZBTBJIQU-NVXWUHKLSA-N 2 1 274.452 3.632 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1nccc2ccccc21 ZINC000414187084 1119932341 /nfs/dbraw/zinc/93/23/41/1119932341.db2.gz PPJSVJQNIRRVDK-JKSUJKDBSA-N 2 1 297.446 3.617 20 0 CHADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414198768 1119935334 /nfs/dbraw/zinc/93/53/34/1119935334.db2.gz WKIHMFLDRRYVBV-RTBURBONSA-N 2 1 288.479 3.575 20 0 CHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc12 ZINC000414210415 1119941210 /nfs/dbraw/zinc/94/12/10/1119941210.db2.gz MWTKPRBJADWUKM-DOTOQJQBSA-N 2 1 282.431 3.721 20 0 CHADMP Cc1occc1C[NH2+]C1CCN(Cc2ccccc2C)CC1 ZINC000414311420 1119976743 /nfs/dbraw/zinc/97/67/43/1119976743.db2.gz MTWYNPYLXYJUDQ-UHFFFAOYSA-N 2 1 298.430 3.651 20 0 CHADMP CC(C)[N@H+](C)C[C@H](C)Nc1cc[nH+]c2cc(F)ccc12 ZINC000685921516 1120002282 /nfs/dbraw/zinc/00/22/82/1120002282.db2.gz ARTAMENCGNGORQ-LBPRGKRZSA-N 2 1 275.371 3.515 20 0 CHADMP CCc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647542981 1120003695 /nfs/dbraw/zinc/00/36/95/1120003695.db2.gz FQUGLIGCALNKNU-CABCVRRESA-N 2 1 292.492 3.522 20 0 CHADMP CC[NH+](CC)CCC[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000472602322 1120007221 /nfs/dbraw/zinc/00/72/21/1120007221.db2.gz IRCAYEROQQHAQD-MRXNPFEDSA-N 2 1 278.440 3.929 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000472602322 1120007225 /nfs/dbraw/zinc/00/72/25/1120007225.db2.gz IRCAYEROQQHAQD-MRXNPFEDSA-N 2 1 278.440 3.929 20 0 CHADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(C)c(F)c2)CC1 ZINC001205251605 1120024221 /nfs/dbraw/zinc/02/42/21/1120024221.db2.gz OFQWBYZIXMYGCQ-UHFFFAOYSA-N 2 1 292.442 3.830 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(C)c(F)c2)CC1 ZINC001205251605 1120024224 /nfs/dbraw/zinc/02/42/24/1120024224.db2.gz OFQWBYZIXMYGCQ-UHFFFAOYSA-N 2 1 292.442 3.830 20 0 CHADMP [NH3+]Cc1cccc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)c1 ZINC000708871594 1120041067 /nfs/dbraw/zinc/04/10/67/1120041067.db2.gz UTVKUTZEXCUPBY-GOSISDBHSA-N 2 1 272.436 3.548 20 0 CHADMP c1ccc2c(c1)cccc2C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106868656 1120055815 /nfs/dbraw/zinc/05/58/15/1120055815.db2.gz YEBHGXOGWBBTCD-ZWKOTPCHSA-N 2 1 280.415 3.556 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000623657062 1120065316 /nfs/dbraw/zinc/06/53/16/1120065316.db2.gz IZWVFUJEYCZIKE-ZIAGYGMSSA-N 2 1 280.843 3.723 20 0 CHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CC(C)(C)Cc3occc32)C1 ZINC000624120787 1120065456 /nfs/dbraw/zinc/06/54/56/1120065456.db2.gz GYXBOYCBWQVEIS-ZBFHGGJFSA-N 2 1 290.451 3.615 20 0 CHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CC(C)(C)Cc3occc32)C1 ZINC000624120784 1120066455 /nfs/dbraw/zinc/06/64/55/1120066455.db2.gz GYXBOYCBWQVEIS-GDBMZVCRSA-N 2 1 290.451 3.615 20 0 CHADMP CC[C@H](Cc1ccc(C)cc1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121140 1120076149 /nfs/dbraw/zinc/07/61/49/1120076149.db2.gz OVKADCYYKVNVOZ-RBUKOAKNSA-N 2 1 288.479 3.638 20 0 CHADMP C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000353202370 1120119170 /nfs/dbraw/zinc/11/91/70/1120119170.db2.gz PDJIYBHLLKSJOF-NXHRZFHOSA-N 2 1 272.436 3.554 20 0 CHADMP C[C@@H]1C[C@@H](c2ccccc2)[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000353202370 1120119173 /nfs/dbraw/zinc/11/91/73/1120119173.db2.gz PDJIYBHLLKSJOF-NXHRZFHOSA-N 2 1 272.436 3.554 20 0 CHADMP C[C@@H]1C[C@@H](c2ccccc2)[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000353202370 1120119176 /nfs/dbraw/zinc/11/91/76/1120119176.db2.gz PDJIYBHLLKSJOF-NXHRZFHOSA-N 2 1 272.436 3.554 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC001116473026 1120127451 /nfs/dbraw/zinc/12/74/51/1120127451.db2.gz JHCBZZJDPMBLRJ-KDOFPFPSSA-N 2 1 290.426 3.598 20 0 CHADMP CC[C@@H]1CCC[NH+](C/C=C\C[N@@H+]2CCC[C@H](CC)C2)C1 ZINC000613628970 1120133169 /nfs/dbraw/zinc/13/31/69/1120133169.db2.gz IKMANBMAKNIUQK-SPCWZHTESA-N 2 1 278.484 3.787 20 0 CHADMP CC[C@@H]1CCC[N@@H+](C/C=C\C[NH+]2CCC[C@H](CC)C2)C1 ZINC000613628970 1120133170 /nfs/dbraw/zinc/13/31/70/1120133170.db2.gz IKMANBMAKNIUQK-SPCWZHTESA-N 2 1 278.484 3.787 20 0 CHADMP CC[C@@H]1CCC[N@H+](C/C=C\C[NH+]2CCC[C@H](CC)C2)C1 ZINC000613628970 1120133171 /nfs/dbraw/zinc/13/31/71/1120133171.db2.gz IKMANBMAKNIUQK-SPCWZHTESA-N 2 1 278.484 3.787 20 0 CHADMP CC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000111391883 1120145764 /nfs/dbraw/zinc/14/57/64/1120145764.db2.gz BBKJIQCBMFIZOY-AYHJJNSGSA-N 2 1 286.463 3.818 20 0 CHADMP Cc1ccc(-c2ccc(C[NH2+]C[C@@H]3CCC[N@@H+](C)C3)o2)cc1 ZINC000108428031 1120157924 /nfs/dbraw/zinc/15/79/24/1120157924.db2.gz XTLOQFCRSLMFFQ-INIZCTEOSA-N 2 1 298.430 3.686 20 0 CHADMP Cc1ccc(-c2ccc(C[NH2+]C[C@@H]3CCC[N@H+](C)C3)o2)cc1 ZINC000108428031 1120157926 /nfs/dbraw/zinc/15/79/26/1120157926.db2.gz XTLOQFCRSLMFFQ-INIZCTEOSA-N 2 1 298.430 3.686 20 0 CHADMP Cc1ccccc1[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000472769285 1120168344 /nfs/dbraw/zinc/16/83/44/1120168344.db2.gz YELRCFIVJZWCPQ-IAGOWNOFSA-N 2 1 274.452 3.862 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCC2(CC2)CC1 ZINC000362918491 1120192016 /nfs/dbraw/zinc/19/20/16/1120192016.db2.gz NRJOEIQLWGKUBT-HNNXBMFYSA-N 2 1 264.457 3.563 20 0 CHADMP CCC(CC)(CC)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000542949317 1120276333 /nfs/dbraw/zinc/27/63/33/1120276333.db2.gz WPQVFNSXXXZTRA-INIZCTEOSA-N 2 1 266.473 3.621 20 0 CHADMP c1sc2ccccc2c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106869061 1120279408 /nfs/dbraw/zinc/27/94/08/1120279408.db2.gz HUVBFNIBVPMKKM-HUUCEWRRSA-N 2 1 286.444 3.618 20 0 CHADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000499545767 1120311426 /nfs/dbraw/zinc/31/14/26/1120311426.db2.gz CYIYZYMMHNFTBY-LZLYRXPVSA-N 2 1 278.484 3.617 20 0 CHADMP CC(C)C[C@H](C)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000499545767 1120311429 /nfs/dbraw/zinc/31/14/29/1120311429.db2.gz CYIYZYMMHNFTBY-LZLYRXPVSA-N 2 1 278.484 3.617 20 0 CHADMP CC(C)C[C@H](C)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000499545767 1120311432 /nfs/dbraw/zinc/31/14/32/1120311432.db2.gz CYIYZYMMHNFTBY-LZLYRXPVSA-N 2 1 278.484 3.617 20 0 CHADMP Cc1sccc1C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000339181976 1120345853 /nfs/dbraw/zinc/34/58/53/1120345853.db2.gz HGIKUWIXIDEGPO-AWEZNQCLSA-N 2 1 280.481 3.801 20 0 CHADMP C(CC1CCC1)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000660114223 1120381519 /nfs/dbraw/zinc/38/15/19/1120381519.db2.gz GIXUJUSZQUVWQX-SJLPKXTDSA-N 2 1 276.468 3.515 20 0 CHADMP C(CC1CCC1)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000660114223 1120381522 /nfs/dbraw/zinc/38/15/22/1120381522.db2.gz GIXUJUSZQUVWQX-SJLPKXTDSA-N 2 1 276.468 3.515 20 0 CHADMP CCCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000584669052 1120404445 /nfs/dbraw/zinc/40/44/45/1120404445.db2.gz FFUAFRDIYOHWGP-MSOLQXFVSA-N 2 1 286.463 3.992 20 0 CHADMP CCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000584669052 1120404447 /nfs/dbraw/zinc/40/44/47/1120404447.db2.gz FFUAFRDIYOHWGP-MSOLQXFVSA-N 2 1 286.463 3.992 20 0 CHADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000629527394 1128914166 /nfs/dbraw/zinc/91/41/66/1128914166.db2.gz USOIXYFDXZZEQP-RXGFPQBGSA-N 2 1 298.883 3.624 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)C(c1ccccc1)c1ccccc1 ZINC000629548386 1128914949 /nfs/dbraw/zinc/91/49/49/1128914949.db2.gz OEHFDTHGIGCWLV-FRQCXROJSA-N 2 1 294.442 3.547 20 0 CHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)CC)[C@H](C)C1 ZINC000682536431 1120417952 /nfs/dbraw/zinc/41/79/52/1120417952.db2.gz SSZKUJYGUNLSBV-IAGOWNOFSA-N 2 1 298.515 3.539 20 0 CHADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@H]1c1ccccc1 ZINC000364071035 1120423500 /nfs/dbraw/zinc/42/35/00/1120423500.db2.gz DMTJBAVXCCKSOG-YDZRNGNQSA-N 2 1 298.474 3.785 20 0 CHADMP C[C@@H]([NH2+]CC[N@H+](C)C1CCCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417311488 1120425050 /nfs/dbraw/zinc/42/50/50/1120425050.db2.gz MBIGTQGRLOJPRV-VNQPRFMTSA-N 2 1 292.492 3.704 20 0 CHADMP C[C@@H]([NH2+]CC[N@@H+](C)C1CCCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417311488 1120425052 /nfs/dbraw/zinc/42/50/52/1120425052.db2.gz MBIGTQGRLOJPRV-VNQPRFMTSA-N 2 1 292.492 3.704 20 0 CHADMP CC[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1)[NH+]1CCCC1 ZINC000417332726 1120428424 /nfs/dbraw/zinc/42/84/24/1120428424.db2.gz XQDADNPEIKWPNL-LVQVYYBASA-N 2 1 292.492 3.704 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417332155 1120428739 /nfs/dbraw/zinc/42/87/39/1120428739.db2.gz NPFAJRBLVNRGHS-FXUDXRNXSA-N 2 1 292.492 3.704 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417332155 1120428741 /nfs/dbraw/zinc/42/87/41/1120428741.db2.gz NPFAJRBLVNRGHS-FXUDXRNXSA-N 2 1 292.492 3.704 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2CC24CC4)C3)cc1 ZINC000417344647 1120433201 /nfs/dbraw/zinc/43/32/01/1120433201.db2.gz WLEMSUVHAPCKOA-CADBVGFASA-N 2 1 296.458 3.572 20 0 CHADMP C[C@H](CCCC(F)(F)F)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000253126707 1128918460 /nfs/dbraw/zinc/91/84/60/1128918460.db2.gz RRTVLBURTXTRGY-ZIAGYGMSSA-N 2 1 294.405 3.962 20 0 CHADMP C[NH+]1CCC(CC[N@@H+]2CCc3c4ccccc4oc3C2)CC1 ZINC001207487633 1120504386 /nfs/dbraw/zinc/50/43/86/1120504386.db2.gz OYHCXYSCEFEXDY-UHFFFAOYSA-N 2 1 298.430 3.523 20 0 CHADMP C[NH+]1CCC(CC[N@H+]2CCc3c4ccccc4oc3C2)CC1 ZINC001207487633 1120504388 /nfs/dbraw/zinc/50/43/88/1120504388.db2.gz OYHCXYSCEFEXDY-UHFFFAOYSA-N 2 1 298.430 3.523 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2CCCC[C@H]2C)CC1 ZINC000543398274 1120508959 /nfs/dbraw/zinc/50/89/59/1120508959.db2.gz RVNUBEJRHNSQNM-CVEARBPZSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@H]1CC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000783220183 1120512731 /nfs/dbraw/zinc/51/27/31/1120512731.db2.gz AFJHMZWLBNVUAR-JTDSTZFVSA-N 2 1 286.463 3.807 20 0 CHADMP C[C@H](C[NH2+]Cc1cccc(Oc2ccccc2)c1)C[NH+](C)C ZINC000390455740 1120527113 /nfs/dbraw/zinc/52/71/13/1120527113.db2.gz FKPNLYNXXUFJAI-MRXNPFEDSA-N 2 1 298.430 3.766 20 0 CHADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(Cl)s1 ZINC000543484578 1120533766 /nfs/dbraw/zinc/53/37/66/1120533766.db2.gz CMUJEKUHXLBRFB-NEPJUHHUSA-N 2 1 286.872 3.927 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCNc1ccc(C2CC2)cn1 ZINC001167752314 1120543571 /nfs/dbraw/zinc/54/35/71/1120543571.db2.gz DXKBLFCLUXNQAK-CQSZACIVSA-N 2 1 273.424 3.635 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCNc1cccc(C2=[NH+]CCC2)c1 ZINC001167753550 1120548452 /nfs/dbraw/zinc/54/84/52/1120548452.db2.gz KBRFCRPCYPHHHO-MRXNPFEDSA-N 2 1 299.462 3.946 20 0 CHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1F ZINC000019913058 1120549188 /nfs/dbraw/zinc/54/91/88/1120549188.db2.gz XBLGZASWTBNITQ-GJZGRUSLSA-N 2 1 278.415 3.741 20 0 CHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccccc1F ZINC000019913058 1120549190 /nfs/dbraw/zinc/54/91/90/1120549190.db2.gz XBLGZASWTBNITQ-GJZGRUSLSA-N 2 1 278.415 3.741 20 0 CHADMP C[C@@H]1CC[C@H]1[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000783247118 1120564151 /nfs/dbraw/zinc/56/41/51/1120564151.db2.gz CYTAMAFUBGFCMO-VYDRJQSISA-N 2 1 286.463 3.531 20 0 CHADMP CSc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000282457963 1120686014 /nfs/dbraw/zinc/68/60/14/1120686014.db2.gz VKCPOSHDHLCLMZ-KKUMJFAQSA-N 2 1 290.476 3.686 20 0 CHADMP C1CCC2(C1)CCC([N@H+]1CCC[C@]3(CCC[NH2+]C3)C1)CC2 ZINC000228078618 1120689428 /nfs/dbraw/zinc/68/94/28/1120689428.db2.gz AUSMHIDWCUQEDQ-IBGZPJMESA-N 2 1 290.495 3.955 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2SC)CC1 ZINC000282467943 1120694975 /nfs/dbraw/zinc/69/49/75/1120694975.db2.gz WCFUUSJNDRFSRR-ZDUSSCGKSA-N 2 1 278.465 3.543 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCCC34CCC4)CC2)cc1 ZINC000394829912 1120712051 /nfs/dbraw/zinc/71/20/51/1120712051.db2.gz TVDZDSXQMOFORB-IBGZPJMESA-N 2 1 298.474 3.963 20 0 CHADMP CC[C@@]1(C)CCC[C@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000651720132 1120723875 /nfs/dbraw/zinc/72/38/75/1120723875.db2.gz RBORZMUSFUCZGI-CVEARBPZSA-N 2 1 263.429 3.530 20 0 CHADMP CC[C@@H](C)C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000093075585 1128936521 /nfs/dbraw/zinc/93/65/21/1128936521.db2.gz BFXKGCQAHACPCG-CVEARBPZSA-N 2 1 274.452 3.848 20 0 CHADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000257709779 1120742945 /nfs/dbraw/zinc/74/29/45/1120742945.db2.gz NMFDGRWHHCXPOB-YJBOKZPZSA-N 2 1 272.436 3.556 20 0 CHADMP Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000040500692 1120837104 /nfs/dbraw/zinc/83/71/04/1120837104.db2.gz LREXIOXDTSPTLM-QXAKKESOSA-N 2 1 286.463 3.533 20 0 CHADMP Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000040500692 1120837109 /nfs/dbraw/zinc/83/71/09/1120837109.db2.gz LREXIOXDTSPTLM-QXAKKESOSA-N 2 1 286.463 3.533 20 0 CHADMP CC1=C[C@H](C)C[NH+]([C@H](C)CC[N@@H+]2CC(C)=C[C@H](C)C2)C1 ZINC000430264917 1120854211 /nfs/dbraw/zinc/85/42/11/1120854211.db2.gz CDQPZDHTPDYCRJ-QILLFSRXSA-N 2 1 276.468 3.561 20 0 CHADMP CC1=C[C@H](C)C[NH+](CC[C@@H](C)[N@H+]2CC(C)=C[C@H](C)C2)C1 ZINC000430264917 1120854214 /nfs/dbraw/zinc/85/42/14/1120854214.db2.gz CDQPZDHTPDYCRJ-QILLFSRXSA-N 2 1 276.468 3.561 20 0 CHADMP CC1=C[C@H](C)C[NH+](CC[C@@H](C)[N@@H+]2CC(C)=C[C@H](C)C2)C1 ZINC000430264917 1120854217 /nfs/dbraw/zinc/85/42/17/1120854217.db2.gz CDQPZDHTPDYCRJ-QILLFSRXSA-N 2 1 276.468 3.561 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cccc3ccccc32)[C@@H](C)C1 ZINC000247111235 1120874850 /nfs/dbraw/zinc/87/48/50/1120874850.db2.gz QPMDFNYMCFJGJL-OXJNMPFZSA-N 2 1 296.458 3.702 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251503846 1120882482 /nfs/dbraw/zinc/88/24/82/1120882482.db2.gz GNHAWYZYJMGENW-ZMSDIMECSA-N 2 1 282.431 3.960 20 0 CHADMP CC[C@@H]1CCC[C@H](C)[N@H+]1CCC[NH+]1CCCCC1 ZINC000662160908 1120887870 /nfs/dbraw/zinc/88/78/70/1120887870.db2.gz ORILKBUVARVNMR-JKSUJKDBSA-N 2 1 252.446 3.515 20 0 CHADMP CCC1([NH3+])CC[NH+]([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000925756915 1120902527 /nfs/dbraw/zinc/90/25/27/1120902527.db2.gz PQYINSAGRAGMMT-OAHLLOKOSA-N 2 1 278.827 3.531 20 0 CHADMP C[N@H+]1CC[C@H](Nc2ccc3c[nH+]ccc3c2)CC1(C)C ZINC000628304830 1120909652 /nfs/dbraw/zinc/90/96/52/1120909652.db2.gz WPWFSEURRBIAMY-INIZCTEOSA-N 2 1 269.392 3.520 20 0 CHADMP CC(C)c1cccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000663327649 1120935103 /nfs/dbraw/zinc/93/51/03/1120935103.db2.gz GELLNMKXGXCBBB-INIZCTEOSA-N 2 1 274.452 3.632 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1F ZINC000663344251 1120940362 /nfs/dbraw/zinc/94/03/62/1120940362.db2.gz QCKYECVQPOJLFF-GOEBONIOSA-N 2 1 290.426 3.598 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1F ZINC000663344251 1120940365 /nfs/dbraw/zinc/94/03/65/1120940365.db2.gz QCKYECVQPOJLFF-GOEBONIOSA-N 2 1 290.426 3.598 20 0 CHADMP c1ccc([C@@H]2C[C@H]2C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663344234 1120940386 /nfs/dbraw/zinc/94/03/86/1120940386.db2.gz PSHPKJLUBUDFAN-IHPCNDPISA-N 2 1 298.474 3.502 20 0 CHADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344066 1120941018 /nfs/dbraw/zinc/94/10/18/1120941018.db2.gz NIYAYHBXDBUDFM-HYVNUMGLSA-N 2 1 278.484 3.523 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CCC1 ZINC000398800670 1120945649 /nfs/dbraw/zinc/94/56/49/1120945649.db2.gz NTEYJQSXQOUCFZ-APWZRJJASA-N 2 1 286.463 3.677 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CCC1 ZINC000398800670 1120945651 /nfs/dbraw/zinc/94/56/51/1120945651.db2.gz NTEYJQSXQOUCFZ-APWZRJJASA-N 2 1 286.463 3.677 20 0 CHADMP CCC[C@@H](C)CCC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC001167804432 1120960615 /nfs/dbraw/zinc/96/06/15/1120960615.db2.gz ORMWWYXCSQHONX-HUUCEWRRSA-N 2 1 263.429 3.806 20 0 CHADMP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CCC1 ZINC000663466205 1120980632 /nfs/dbraw/zinc/98/06/32/1120980632.db2.gz PKIPYTHMCCEQGS-FUHWJXTLSA-N 2 1 278.484 3.667 20 0 CHADMP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)[C@@H]2CCC[C@@H]21 ZINC000663467270 1120980743 /nfs/dbraw/zinc/98/07/43/1120980743.db2.gz ZTPINUKUFKJUEA-XWTMOSNGSA-N 2 1 290.495 3.523 20 0 CHADMP Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469564 1120985107 /nfs/dbraw/zinc/98/51/07/1120985107.db2.gz QLVIRIFOSWXJBQ-FUHWJXTLSA-N 2 1 286.463 3.768 20 0 CHADMP C([NH2+][C@H]1CCC[C@H](C2CC2)C1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663472160 1120985727 /nfs/dbraw/zinc/98/57/27/1120985727.db2.gz ZBZWEOLRCHMUJR-WDSOQIARSA-N 2 1 290.495 3.667 20 0 CHADMP C([NH2+][C@H]1CCC[C@H](C2CC2)C1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663472151 1120985803 /nfs/dbraw/zinc/98/58/03/1120985803.db2.gz ZBZWEOLRCHMUJR-NEWSRXKRSA-N 2 1 290.495 3.667 20 0 CHADMP Cc1ccc(N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000390807796 1120990203 /nfs/dbraw/zinc/99/02/03/1120990203.db2.gz NHQZRJYMVOXBFU-AEFFLSMTSA-N 2 1 295.430 3.713 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](C)C[C@H]1C ZINC001167824678 1120997736 /nfs/dbraw/zinc/99/77/36/1120997736.db2.gz FEEULBJOIWSSAK-HRCADAONSA-N 2 1 254.462 3.617 20 0 CHADMP CC[C@H]1CCCC[N@H+]1[C@H](C)CCC[NH+](CC)CC ZINC001167834816 1121030821 /nfs/dbraw/zinc/03/08/21/1121030821.db2.gz MXWZVJYMYNMDEW-CVEARBPZSA-N 2 1 254.462 3.761 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)CC1CCCC1 ZINC001167838169 1121040152 /nfs/dbraw/zinc/04/01/52/1121040152.db2.gz RDICJFKJZOUBGH-HNNXBMFYSA-N 2 1 254.462 3.619 20 0 CHADMP CC(C)[N@@H+](C)CCCN[C@H]1CCCc2ccc(F)cc21 ZINC000344066184 1121072440 /nfs/dbraw/zinc/07/24/40/1121072440.db2.gz ASKQKIPQEURAHL-KRWDZBQOSA-N 2 1 278.415 3.523 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000344066184 1121072448 /nfs/dbraw/zinc/07/24/48/1121072448.db2.gz ASKQKIPQEURAHL-KRWDZBQOSA-N 2 1 278.415 3.523 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000344066184 1121072456 /nfs/dbraw/zinc/07/24/56/1121072456.db2.gz ASKQKIPQEURAHL-KRWDZBQOSA-N 2 1 278.415 3.523 20 0 CHADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000344065546 1121073694 /nfs/dbraw/zinc/07/36/94/1121073694.db2.gz OSUAVIROJDQXFL-GOSISDBHSA-N 2 1 295.430 3.803 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(C)(C)CC ZINC000429226614 1121116698 /nfs/dbraw/zinc/11/66/98/1121116698.db2.gz ARLJKLHAOCYJPB-UHFFFAOYSA-N 2 1 279.472 3.984 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(C)(C)CC ZINC000429226614 1121116701 /nfs/dbraw/zinc/11/67/01/1121116701.db2.gz ARLJKLHAOCYJPB-UHFFFAOYSA-N 2 1 279.472 3.984 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000344220690 1121123824 /nfs/dbraw/zinc/12/38/24/1121123824.db2.gz UWVVYFSSTKEYFU-MRXNPFEDSA-N 2 1 272.436 3.584 20 0 CHADMP C/C(=C/c1ccccc1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597703 1128965014 /nfs/dbraw/zinc/96/50/14/1128965014.db2.gz YPVNRFRIVSTHDZ-BLMOFCDVSA-N 2 1 284.447 3.508 20 0 CHADMP C/C(=C/c1ccccc1)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597703 1128965018 /nfs/dbraw/zinc/96/50/18/1128965018.db2.gz YPVNRFRIVSTHDZ-BLMOFCDVSA-N 2 1 284.447 3.508 20 0 CHADMP CC1(C[NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CCC1 ZINC000435741277 1121199841 /nfs/dbraw/zinc/19/98/41/1121199841.db2.gz INFUSAZUGFAUNS-MRXNPFEDSA-N 2 1 264.457 3.563 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](CNc2cc[nH+]c3cc(F)ccc23)C1 ZINC000674931478 1121201093 /nfs/dbraw/zinc/20/10/93/1121201093.db2.gz VMRFGLLGUBUUME-ZDUSSCGKSA-N 2 1 287.382 3.516 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2ccoc2)cc1 ZINC000658201002 1121220864 /nfs/dbraw/zinc/22/08/64/1121220864.db2.gz PQNONNVKXASZNK-AWEZNQCLSA-N 2 1 295.386 3.667 20 0 CHADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCC1CCCCC1 ZINC000703241936 1121242717 /nfs/dbraw/zinc/24/27/17/1121242717.db2.gz QXDCJDWMQCBXQV-ALOPSCKCSA-N 2 1 264.457 3.691 20 0 CHADMP CC(C)Cc1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000094901463 1121242756 /nfs/dbraw/zinc/24/27/56/1121242756.db2.gz RDUFKJNCASTQJQ-UHFFFAOYSA-N 2 1 274.452 3.587 20 0 CHADMP CCCCC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000432657840 1121257987 /nfs/dbraw/zinc/25/79/87/1121257987.db2.gz RAAMVDFMOWZPQR-MRXNPFEDSA-N 2 1 292.492 3.882 20 0 CHADMP C[N@H+](Cc1cc2ccccc2s1)CC1CC[NH+](C)CC1 ZINC000093088784 1121307691 /nfs/dbraw/zinc/30/76/91/1121307691.db2.gz AMRFKLJILINCNC-UHFFFAOYSA-N 2 1 288.460 3.675 20 0 CHADMP C[N@@H+]1CCC[C@H](C[NH2+]CC2(C)CC2)[C@H]1c1cccs1 ZINC000562328516 1121317047 /nfs/dbraw/zinc/31/70/47/1121317047.db2.gz YIZKSFCHBMCWFP-HIFRSBDPSA-N 2 1 278.465 3.521 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+]CC2(C)CC2)[C@H]1c1cccs1 ZINC000562328516 1121317056 /nfs/dbraw/zinc/31/70/56/1121317056.db2.gz YIZKSFCHBMCWFP-HIFRSBDPSA-N 2 1 278.465 3.521 20 0 CHADMP c1ccc([C@H](CC2CC2)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000675751887 1121352168 /nfs/dbraw/zinc/35/21/68/1121352168.db2.gz BMFLZDOJCFBGEN-QYZOEREBSA-N 2 1 284.447 3.744 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000675786796 1121363040 /nfs/dbraw/zinc/36/30/40/1121363040.db2.gz DNNHNFPYKQVMGE-AEFFLSMTSA-N 2 1 288.479 3.923 20 0 CHADMP Fc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc12 ZINC000631044807 1128980921 /nfs/dbraw/zinc/98/09/21/1128980921.db2.gz NWYHUDADMRRZRD-HOTGVXAUSA-N 2 1 298.405 3.695 20 0 CHADMP Cc1cccc(C)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000676712969 1121458068 /nfs/dbraw/zinc/45/80/68/1121458068.db2.gz VOFGPENHWNSPPE-FXAWDEMLSA-N 2 1 298.474 3.752 20 0 CHADMP Cc1cccc(C)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000676712969 1121458071 /nfs/dbraw/zinc/45/80/71/1121458071.db2.gz VOFGPENHWNSPPE-FXAWDEMLSA-N 2 1 298.474 3.752 20 0 CHADMP Cc1ccc2cc[nH+]c(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000645127364 1121554231 /nfs/dbraw/zinc/55/42/31/1121554231.db2.gz LHFZVPMTNFUDEA-CVEARBPZSA-N 2 1 281.403 3.582 20 0 CHADMP Cc1ccc2cc[nH+]c(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000645127364 1121554234 /nfs/dbraw/zinc/55/42/34/1121554234.db2.gz LHFZVPMTNFUDEA-CVEARBPZSA-N 2 1 281.403 3.582 20 0 CHADMP Cc1ccc(C[N@@H+]([C@@H]2C[C@H]3C[C@H]3C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001167918459 1121612171 /nfs/dbraw/zinc/61/21/71/1121612171.db2.gz JHUJYYAXZLWEEX-JSYLVRCQSA-N 2 1 298.474 3.865 20 0 CHADMP C[C@H]1c2sccc2CC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000712259272 1121623599 /nfs/dbraw/zinc/62/35/99/1121623599.db2.gz AJMDMWDGSPALDT-WYQXTGKHSA-N 2 1 290.476 3.588 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)(C)c1ccccc1 ZINC000161587486 1121639966 /nfs/dbraw/zinc/63/99/66/1121639966.db2.gz MFKPHWIJNMLTTG-RYQLBKOJSA-N 2 1 286.463 3.569 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433302088 1121640540 /nfs/dbraw/zinc/64/05/40/1121640540.db2.gz XAFSQGKNGZHSNA-NVXWUHKLSA-N 2 1 292.854 3.614 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433302088 1121640543 /nfs/dbraw/zinc/64/05/43/1121640543.db2.gz XAFSQGKNGZHSNA-NVXWUHKLSA-N 2 1 292.854 3.614 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433302088 1121640545 /nfs/dbraw/zinc/64/05/45/1121640545.db2.gz XAFSQGKNGZHSNA-NVXWUHKLSA-N 2 1 292.854 3.614 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1cccc(F)c1)C(C)(C)C ZINC000271839610 1121670217 /nfs/dbraw/zinc/67/02/17/1121670217.db2.gz YVIZLQOUIHLWFU-INIZCTEOSA-N 2 1 289.398 3.708 20 0 CHADMP c1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)co1 ZINC000727466143 1121720105 /nfs/dbraw/zinc/72/01/05/1121720105.db2.gz ZXMFLXBZPGBRIT-UHFFFAOYSA-N 2 1 284.403 3.555 20 0 CHADMP c1ccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CCCC2)cc1 ZINC000166080824 1121736254 /nfs/dbraw/zinc/73/62/54/1121736254.db2.gz UBWTZMQOQRQTJW-RBUKOAKNSA-N 2 1 298.474 3.715 20 0 CHADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167939622 1121778292 /nfs/dbraw/zinc/77/82/92/1121778292.db2.gz MXVMBHRHFYIYCG-OPVJXMOQSA-N 2 1 298.474 3.771 20 0 CHADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC001178584013 1121796556 /nfs/dbraw/zinc/79/65/56/1121796556.db2.gz CNNPEZFRBKQKHY-NUJGCVRESA-N 2 1 278.484 3.952 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](CC)c1ccccc1 ZINC001178661568 1121804486 /nfs/dbraw/zinc/80/44/86/1121804486.db2.gz RNBNNWYUJYUEBE-AEFFLSMTSA-N 2 1 274.452 3.644 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](CC)c1ccccc1 ZINC001178661568 1121804493 /nfs/dbraw/zinc/80/44/93/1121804493.db2.gz RNBNNWYUJYUEBE-AEFFLSMTSA-N 2 1 274.452 3.644 20 0 CHADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246577228 1121805439 /nfs/dbraw/zinc/80/54/39/1121805439.db2.gz LTOQXZKORFVCSK-HHXXYDBFSA-N 2 1 284.447 3.696 20 0 CHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246577228 1121805455 /nfs/dbraw/zinc/80/54/55/1121805455.db2.gz LTOQXZKORFVCSK-HHXXYDBFSA-N 2 1 284.447 3.696 20 0 CHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246577228 1121805468 /nfs/dbraw/zinc/80/54/68/1121805468.db2.gz LTOQXZKORFVCSK-HHXXYDBFSA-N 2 1 284.447 3.696 20 0 CHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246577228 1121805480 /nfs/dbraw/zinc/80/54/80/1121805480.db2.gz LTOQXZKORFVCSK-HHXXYDBFSA-N 2 1 284.447 3.696 20 0 CHADMP CCC[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc(C)ccn1 ZINC000631651915 1129017114 /nfs/dbraw/zinc/01/71/14/1129017114.db2.gz NFHKKIXXXXEBGS-SJORKVTESA-N 2 1 289.467 3.553 20 0 CHADMP CCC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(C)ccn1 ZINC000631651915 1129017118 /nfs/dbraw/zinc/01/71/18/1129017118.db2.gz NFHKKIXXXXEBGS-SJORKVTESA-N 2 1 289.467 3.553 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC001179905861 1121930068 /nfs/dbraw/zinc/93/00/68/1121930068.db2.gz OHEHIQBYFXWNOJ-BRSBDYLESA-N 2 1 280.500 3.865 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC001179905861 1121930073 /nfs/dbraw/zinc/93/00/73/1121930073.db2.gz OHEHIQBYFXWNOJ-BRSBDYLESA-N 2 1 280.500 3.865 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC001179905861 1121930076 /nfs/dbraw/zinc/93/00/76/1121930076.db2.gz OHEHIQBYFXWNOJ-BRSBDYLESA-N 2 1 280.500 3.865 20 0 CHADMP CCC[N@@H+](CC1CCCCC1)CC1CC[NH+](C)CC1 ZINC001180173884 1121954791 /nfs/dbraw/zinc/95/47/91/1121954791.db2.gz HRFRYBVFYOOHKE-UHFFFAOYSA-N 2 1 266.473 3.621 20 0 CHADMP C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420296311 1121994654 /nfs/dbraw/zinc/99/46/54/1121994654.db2.gz BJMHTFZCEWXWEC-HUUCEWRRSA-N 2 1 286.419 3.815 20 0 CHADMP Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)CC[C@H]2CC[NH2+]C2)cc1 ZINC000420295713 1121995228 /nfs/dbraw/zinc/99/52/28/1121995228.db2.gz CMDNSVYOKNZBBS-NZSAHSFTSA-N 2 1 286.463 3.563 20 0 CHADMP Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420295717 1121995320 /nfs/dbraw/zinc/99/53/20/1121995320.db2.gz CMDNSVYOKNZBBS-YTQUADARSA-N 2 1 286.463 3.563 20 0 CHADMP [NH3+]CCC[N@@H+](CCCCC(F)(F)F)Cc1ccccc1 ZINC000420311617 1121996592 /nfs/dbraw/zinc/99/65/92/1121996592.db2.gz NUZURNPXSHQZQE-UHFFFAOYSA-N 2 1 288.357 3.570 20 0 CHADMP C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420304467 1121997517 /nfs/dbraw/zinc/99/75/17/1121997517.db2.gz OOGSFZQAWHLIAN-IIDMSEBBSA-N 2 1 290.426 3.598 20 0 CHADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CC[C@H]1c1ccccc1 ZINC000420301214 1121998562 /nfs/dbraw/zinc/99/85/62/1121998562.db2.gz LDTOIKFEISHYPG-ZHALLVOQSA-N 2 1 286.463 3.502 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000420321730 1121999213 /nfs/dbraw/zinc/99/92/13/1121999213.db2.gz RNKAOOPNORXNDH-KGLIPLIRSA-N 2 1 292.854 3.865 20 0 CHADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cccc2ccccc21 ZINC000420321334 1121999790 /nfs/dbraw/zinc/99/97/90/1121999790.db2.gz RHTKVBUOISYJRH-INIZCTEOSA-N 2 1 282.431 3.661 20 0 CHADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420311884 1121999858 /nfs/dbraw/zinc/99/98/58/1121999858.db2.gz WFMGLAZRIOIKLQ-KZNAEPCWSA-N 2 1 286.463 3.563 20 0 CHADMP c1ccc2c(c1)cccc2[C@@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420328533 1122001508 /nfs/dbraw/zinc/00/15/08/1122001508.db2.gz ZUQLAAMJRWQTAC-UZLBHIALSA-N 2 1 294.442 3.976 20 0 CHADMP Cc1ccc([C@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000420363933 1122002591 /nfs/dbraw/zinc/00/25/91/1122002591.db2.gz CFCDLDRPNRYNCT-FXAWDEMLSA-N 2 1 294.442 3.674 20 0 CHADMP C[C@@H]([NH3+])C[NH2+][C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000420422762 1122005345 /nfs/dbraw/zinc/00/53/45/1122005345.db2.gz ZNVXOJFWPPEIIX-IAQYHMDHSA-N 2 1 266.816 3.508 20 0 CHADMP C([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001181277353 1122045555 /nfs/dbraw/zinc/04/55/55/1122045555.db2.gz XNJOCHRPVWKKKX-NRSFXHEJSA-N 2 1 276.468 3.562 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](C(C)C)[C@H](C)c1ccsc1 ZINC000421005577 1122061093 /nfs/dbraw/zinc/06/10/93/1122061093.db2.gz JOVKPKZMOHFQEV-CYBMUJFWSA-N 2 1 277.437 3.725 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](C(C)C)[C@H](C)c1ccsc1 ZINC000421005577 1122061101 /nfs/dbraw/zinc/06/11/01/1122061101.db2.gz JOVKPKZMOHFQEV-CYBMUJFWSA-N 2 1 277.437 3.725 20 0 CHADMP c1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc(C2CC2)c1 ZINC000421392259 1122110791 /nfs/dbraw/zinc/11/07/91/1122110791.db2.gz NOMVVFSKRCWPPZ-UHFFFAOYSA-N 2 1 284.447 3.671 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CCc1ccccc1F ZINC001182151677 1122114199 /nfs/dbraw/zinc/11/41/99/1122114199.db2.gz CFJMREBXQYHBIC-HZPDHXFCSA-N 2 1 294.458 3.857 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CCc1ccccc1F ZINC001182151677 1122114203 /nfs/dbraw/zinc/11/42/03/1122114203.db2.gz CFJMREBXQYHBIC-HZPDHXFCSA-N 2 1 294.458 3.857 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC001182152081 1122114810 /nfs/dbraw/zinc/11/48/10/1122114810.db2.gz IGOVTZVHXBDIOG-PVAVHDDUSA-N 2 1 266.473 3.665 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC001182152081 1122114813 /nfs/dbraw/zinc/11/48/13/1122114813.db2.gz IGOVTZVHXBDIOG-PVAVHDDUSA-N 2 1 266.473 3.665 20 0 CHADMP CC[C@@H]1CCCC[C@H]1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001182249299 1122124052 /nfs/dbraw/zinc/12/40/52/1122124052.db2.gz FLKDXCOJQPUYQR-BBWFWOEESA-N 2 1 266.473 3.524 20 0 CHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC000502739234 1122143227 /nfs/dbraw/zinc/14/32/27/1122143227.db2.gz KTOGIEVPJCRYHU-KRWDZBQOSA-N 2 1 280.500 3.867 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ccccc1C)C1CC1 ZINC000271829609 1122178299 /nfs/dbraw/zinc/17/82/99/1122178299.db2.gz IWWNQDIBZXLCCZ-SFHVURJKSA-N 2 1 283.419 3.631 20 0 CHADMP C[C@@H](CC[N@H+]1CCCC[C@](C)(C[NH3+])C1)CC(C)(C)C ZINC001206540576 1122188472 /nfs/dbraw/zinc/18/84/72/1122188472.db2.gz CIFFJOXNLWGXKU-DOTOQJQBSA-N 2 1 268.489 3.900 20 0 CHADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC001206542163 1122190458 /nfs/dbraw/zinc/19/04/58/1122190458.db2.gz TUJCXOMPFRGJPG-IBGZPJMESA-N 2 1 282.431 3.791 20 0 CHADMP CC1CC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000272466134 1122203460 /nfs/dbraw/zinc/20/34/60/1122203460.db2.gz ZNPXYVACFZKYQF-XVSHQWEASA-N 2 1 284.447 3.570 20 0 CHADMP CC[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccccc1F ZINC000272494105 1122205310 /nfs/dbraw/zinc/20/53/10/1122205310.db2.gz UUEUKFOKOVMPOW-GOSISDBHSA-N 2 1 290.426 3.883 20 0 CHADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC001183093440 1122205861 /nfs/dbraw/zinc/20/58/61/1122205861.db2.gz BQEAZAXEKJYOIP-MXSMSXNCSA-N 2 1 278.484 3.523 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205256469 1122207386 /nfs/dbraw/zinc/20/73/86/1122207386.db2.gz ONMHAVVRQXYQQQ-AWFCHZOYSA-N 2 1 252.446 3.716 20 0 CHADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc3ccc(Cl)cc3[nH]2)CC1 ZINC001205281304 1122240273 /nfs/dbraw/zinc/24/02/73/1122240273.db2.gz SAMDLHOXHNQIIZ-MRXNPFEDSA-N 2 1 291.826 3.525 20 0 CHADMP CCC(CC)[C@H](C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)[NH+](C)C ZINC000711120546 1122258907 /nfs/dbraw/zinc/25/89/07/1122258907.db2.gz RIABMHDDFMZQMK-FSDCSDTHSA-N 2 1 266.473 3.521 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414684948 1122267243 /nfs/dbraw/zinc/26/72/43/1122267243.db2.gz XPSVKSNSLYWJCX-BQFCYCMXSA-N 2 1 272.436 3.520 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205303970 1122287811 /nfs/dbraw/zinc/28/78/11/1122287811.db2.gz MAJCNQYGHHPGPE-OCCSQVGLSA-N 2 1 288.460 3.626 20 0 CHADMP CC[NH+](CC)CCC[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000514143045 1122381711 /nfs/dbraw/zinc/38/17/11/1122381711.db2.gz ZQRMBXQISHSMOI-UHFFFAOYSA-N 2 1 284.394 3.521 20 0 CHADMP Cc1nccn1CCC[N@H+]1CC[C@](C)(c2ccc(C)cc2)C1 ZINC000434737090 1122409606 /nfs/dbraw/zinc/40/96/06/1122409606.db2.gz IWLQQSWMAXGJEZ-IBGZPJMESA-N 2 1 297.446 3.554 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@](C)(c2ccc(C)cc2)C1 ZINC000434737090 1122409609 /nfs/dbraw/zinc/40/96/09/1122409609.db2.gz IWLQQSWMAXGJEZ-IBGZPJMESA-N 2 1 297.446 3.554 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@](C)(c2ccc(C)cc2)C1 ZINC000434737090 1122409611 /nfs/dbraw/zinc/40/96/11/1122409611.db2.gz IWLQQSWMAXGJEZ-IBGZPJMESA-N 2 1 297.446 3.554 20 0 CHADMP Cc1cc2cc(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)oc2cc1C ZINC000430137994 1122440913 /nfs/dbraw/zinc/44/09/13/1122440913.db2.gz XOAYYMBMFBRDGA-LJQANCHMSA-N 2 1 298.430 3.577 20 0 CHADMP Cc1cc2cc(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)oc2cc1C ZINC000430137994 1122440916 /nfs/dbraw/zinc/44/09/16/1122440916.db2.gz XOAYYMBMFBRDGA-LJQANCHMSA-N 2 1 298.430 3.577 20 0 CHADMP Cc1cc2cc(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)oc2cc1C ZINC000430137994 1122440917 /nfs/dbraw/zinc/44/09/17/1122440917.db2.gz XOAYYMBMFBRDGA-LJQANCHMSA-N 2 1 298.430 3.577 20 0 CHADMP Cc1cc2cc(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)oc2cc1C ZINC000430137994 1122440918 /nfs/dbraw/zinc/44/09/18/1122440918.db2.gz XOAYYMBMFBRDGA-LJQANCHMSA-N 2 1 298.430 3.577 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000514889940 1122461507 /nfs/dbraw/zinc/46/15/07/1122461507.db2.gz DKEWUUKMNWCHRE-SFHVURJKSA-N 2 1 286.463 3.616 20 0 CHADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000435745295 1122487093 /nfs/dbraw/zinc/48/70/93/1122487093.db2.gz LOXZZLNNPSKAKY-HYVNUMGLSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000435743208 1122487458 /nfs/dbraw/zinc/48/74/58/1122487458.db2.gz ZOAGBGAGYZHEFN-INMHGKMJSA-N 2 1 264.457 3.562 20 0 CHADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000435879305 1122495151 /nfs/dbraw/zinc/49/51/51/1122495151.db2.gz CBRJAZLVXQUDMG-GOSISDBHSA-N 2 1 268.404 3.586 20 0 CHADMP C[C@H](CC1CC1)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436293420 1122534492 /nfs/dbraw/zinc/53/44/92/1122534492.db2.gz VCZKHYQRZUMDGD-RHSMWYFYSA-N 2 1 264.457 3.562 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CC(C)(C)CCc3ccccc32)CC1 ZINC000436305506 1122536529 /nfs/dbraw/zinc/53/65/29/1122536529.db2.gz GNILUPXSNCKZJD-IBGZPJMESA-N 2 1 298.474 3.942 20 0 CHADMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c(C)c1 ZINC001167960790 1122550573 /nfs/dbraw/zinc/55/05/73/1122550573.db2.gz CQFKABITZNNMGG-IHWFROFDSA-N 2 1 298.474 3.798 20 0 CHADMP Cc1oc2ccccc2c1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000925009410 1122563423 /nfs/dbraw/zinc/56/34/23/1122563423.db2.gz HGOJCAPVDYQGDY-ZFWWWQNUSA-N 2 1 286.419 3.734 20 0 CHADMP CC[C@H](C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000516099459 1122567872 /nfs/dbraw/zinc/56/78/72/1122567872.db2.gz BHIPUAVXBWXVPA-DLBZAZTESA-N 2 1 274.452 3.500 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](C)C2CCCCC2)C1 ZINC001191367584 1122596435 /nfs/dbraw/zinc/59/64/35/1122596435.db2.gz QHRMMJRKIVJTAW-IAGOWNOFSA-N 2 1 280.500 3.867 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](C)C2CCCCC2)C1 ZINC001191367584 1122596438 /nfs/dbraw/zinc/59/64/38/1122596438.db2.gz QHRMMJRKIVJTAW-IAGOWNOFSA-N 2 1 280.500 3.867 20 0 CHADMP CC(C)=CCN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001191520673 1122603472 /nfs/dbraw/zinc/60/34/72/1122603472.db2.gz JMRHVJMIKSWTJX-UXHICEINSA-N 2 1 298.474 3.939 20 0 CHADMP CC(C)=CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001191520673 1122603474 /nfs/dbraw/zinc/60/34/74/1122603474.db2.gz JMRHVJMIKSWTJX-UXHICEINSA-N 2 1 298.474 3.939 20 0 CHADMP CC(C)=CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001191520673 1122603477 /nfs/dbraw/zinc/60/34/77/1122603477.db2.gz JMRHVJMIKSWTJX-UXHICEINSA-N 2 1 298.474 3.939 20 0 CHADMP CC(C)=CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001191520673 1122603483 /nfs/dbraw/zinc/60/34/83/1122603483.db2.gz JMRHVJMIKSWTJX-UXHICEINSA-N 2 1 298.474 3.939 20 0 CHADMP CC(C)=CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001191520673 1122603488 /nfs/dbraw/zinc/60/34/88/1122603488.db2.gz JMRHVJMIKSWTJX-UXHICEINSA-N 2 1 298.474 3.939 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc3occc3c2)CC1 ZINC000288983993 1122619666 /nfs/dbraw/zinc/61/96/66/1122619666.db2.gz CQKLJGIBJKSSDN-UHFFFAOYSA-N 2 1 286.419 3.737 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638363786 1122622671 /nfs/dbraw/zinc/62/26/71/1122622671.db2.gz YHLLBUYYJZNPMD-MYZZLAAOSA-N 2 1 284.447 3.600 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638363786 1122622672 /nfs/dbraw/zinc/62/26/72/1122622672.db2.gz YHLLBUYYJZNPMD-MYZZLAAOSA-N 2 1 284.447 3.600 20 0 CHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc[nH]1 ZINC000775524302 1122639638 /nfs/dbraw/zinc/63/96/38/1122639638.db2.gz FLZRKXRPWHXYKG-BQFCYCMXSA-N 2 1 297.446 3.576 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775524307 1122641012 /nfs/dbraw/zinc/64/10/12/1122641012.db2.gz FLZRKXRPWHXYKG-SOLBZPMBSA-N 2 1 297.446 3.576 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000437596076 1122642271 /nfs/dbraw/zinc/64/22/71/1122642271.db2.gz UVGYLFGCWLNWBG-OAHLLOKOSA-N 2 1 292.442 3.734 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)CC[C@H]1C[NH3+] ZINC001205605246 1122657110 /nfs/dbraw/zinc/65/71/10/1122657110.db2.gz ZOLOUXGYBFBPPL-RDJZCZTQSA-N 2 1 288.479 3.791 20 0 CHADMP C=C/C=C/CC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC001192908969 1122662216 /nfs/dbraw/zinc/66/22/16/1122662216.db2.gz AVIOEHNERSBBTC-SNAWJCMRSA-N 2 1 299.462 3.752 20 0 CHADMP CCCCc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)s1 ZINC001205617488 1122667706 /nfs/dbraw/zinc/66/77/06/1122667706.db2.gz KIXNFNFFRUBWSO-CABCVRRESA-N 2 1 294.508 3.898 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2cc3ccccc3s2)CC[C@H]1C[NH3+] ZINC001205618726 1122674536 /nfs/dbraw/zinc/67/45/36/1122674536.db2.gz YKMQGNXAEQXJTD-ZFWWWQNUSA-N 2 1 288.460 3.708 20 0 CHADMP Cc1c(F)ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1Cl ZINC001205651583 1122742760 /nfs/dbraw/zinc/74/27/60/1122742760.db2.gz HCORUECXSGVPEV-WCQYABFASA-N 2 1 298.833 3.594 20 0 CHADMP CCc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)ccc1Cl ZINC001205652451 1122748485 /nfs/dbraw/zinc/74/84/85/1122748485.db2.gz PQKZGMZQYZULPK-CJNGLKHVSA-N 2 1 294.870 3.709 20 0 CHADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2CC2CCC(C)(C)CC2)C1 ZINC000518442079 1122757973 /nfs/dbraw/zinc/75/79/73/1122757973.db2.gz SMNVAWRJPSOVSW-IRXDYDNUSA-N 2 1 278.484 3.619 20 0 CHADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2CC2CCC(C)(C)CC2)C1 ZINC000518442079 1122757978 /nfs/dbraw/zinc/75/79/78/1122757978.db2.gz SMNVAWRJPSOVSW-IRXDYDNUSA-N 2 1 278.484 3.619 20 0 CHADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2CC2CCC(C)(C)CC2)C1 ZINC000518442079 1122757984 /nfs/dbraw/zinc/75/79/84/1122757984.db2.gz SMNVAWRJPSOVSW-IRXDYDNUSA-N 2 1 278.484 3.619 20 0 CHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2CC2CCC(C)(C)CC2)C1 ZINC000518442079 1122757990 /nfs/dbraw/zinc/75/79/90/1122757990.db2.gz SMNVAWRJPSOVSW-IRXDYDNUSA-N 2 1 278.484 3.619 20 0 CHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2CC2CCC(C)(C)CC2)C1 ZINC000518442079 1122757994 /nfs/dbraw/zinc/75/79/94/1122757994.db2.gz SMNVAWRJPSOVSW-IRXDYDNUSA-N 2 1 278.484 3.619 20 0 CHADMP CCC[C@H](C)CCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001194519084 1122778962 /nfs/dbraw/zinc/77/89/62/1122778962.db2.gz GYNWFOZFXFEODO-DLBZAZTESA-N 2 1 266.473 3.621 20 0 CHADMP CCC[C@H](C)CCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001194519084 1122778967 /nfs/dbraw/zinc/77/89/67/1122778967.db2.gz GYNWFOZFXFEODO-DLBZAZTESA-N 2 1 266.473 3.621 20 0 CHADMP CCC[C@@H](C)CCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001194519085 1122779058 /nfs/dbraw/zinc/77/90/58/1122779058.db2.gz GYNWFOZFXFEODO-IAGOWNOFSA-N 2 1 266.473 3.621 20 0 CHADMP CCC[C@@H](C)CCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001194519085 1122779061 /nfs/dbraw/zinc/77/90/61/1122779061.db2.gz GYNWFOZFXFEODO-IAGOWNOFSA-N 2 1 266.473 3.621 20 0 CHADMP CC[C@H](C[N@@H+](C)C1CCN(CC)CC1)c1ccccc1 ZINC000506691305 1122807369 /nfs/dbraw/zinc/80/73/69/1122807369.db2.gz XNQQWDHJLLQCEH-MRXNPFEDSA-N 2 1 274.452 3.596 20 0 CHADMP CC[C@H](C[N@H+](C)C1CC[NH+](CC)CC1)c1ccccc1 ZINC000506691305 1122807371 /nfs/dbraw/zinc/80/73/71/1122807371.db2.gz XNQQWDHJLLQCEH-MRXNPFEDSA-N 2 1 274.452 3.596 20 0 CHADMP CC[C@H](C[N@@H+](C)C1CC[NH+](CC)CC1)c1ccccc1 ZINC000506691305 1122807376 /nfs/dbraw/zinc/80/73/76/1122807376.db2.gz XNQQWDHJLLQCEH-MRXNPFEDSA-N 2 1 274.452 3.596 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cc2ccccc2[nH]1 ZINC000775623285 1122827125 /nfs/dbraw/zinc/82/71/25/1122827125.db2.gz OZSGWLOTHSLBBD-CQSZACIVSA-N 2 1 273.424 3.549 20 0 CHADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CC13CCCCC3)C2 ZINC001167973892 1122872000 /nfs/dbraw/zinc/87/20/00/1122872000.db2.gz QDBLXLQNLDTNLF-HQSKLWIPSA-N 2 1 288.479 3.704 20 0 CHADMP CC[NH+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981576 1122898849 /nfs/dbraw/zinc/89/88/49/1122898849.db2.gz AWKQXTQBAIJESE-YOFSQIOKSA-N 2 1 298.474 3.914 20 0 CHADMP CC[NH+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981576 1122898851 /nfs/dbraw/zinc/89/88/51/1122898851.db2.gz AWKQXTQBAIJESE-YOFSQIOKSA-N 2 1 298.474 3.914 20 0 CHADMP CCC[NH+]([C@@H](C)CC)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981623 1122899057 /nfs/dbraw/zinc/89/90/57/1122899057.db2.gz BWMBYXKPOVGILG-QTXGHNMQSA-N 2 1 278.484 3.902 20 0 CHADMP CCC[NH+]([C@@H](C)CC)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981623 1122899062 /nfs/dbraw/zinc/89/90/62/1122899062.db2.gz BWMBYXKPOVGILG-QTXGHNMQSA-N 2 1 278.484 3.902 20 0 CHADMP Cc1oc(C(C)(C)C)cc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894743722 1122901469 /nfs/dbraw/zinc/90/14/69/1122901469.db2.gz WNOQZYUTFHKTIF-MQVJKMGUSA-N 2 1 290.451 3.600 20 0 CHADMP Cc1oc(C(C)(C)C)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894743722 1122901472 /nfs/dbraw/zinc/90/14/72/1122901472.db2.gz WNOQZYUTFHKTIF-MQVJKMGUSA-N 2 1 290.451 3.600 20 0 CHADMP Cc1oc(C(C)(C)C)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894743722 1122901476 /nfs/dbraw/zinc/90/14/76/1122901476.db2.gz WNOQZYUTFHKTIF-MQVJKMGUSA-N 2 1 290.451 3.600 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC2(CCCC2)CC1 ZINC001196039692 1122903906 /nfs/dbraw/zinc/90/39/06/1122903906.db2.gz PMLOKIOYIYGKRW-INIZCTEOSA-N 2 1 264.457 3.517 20 0 CHADMP CC(C)C1(C)CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000426732211 1122911808 /nfs/dbraw/zinc/91/18/08/1122911808.db2.gz HSIHPBGMJPZGGO-INIZCTEOSA-N 2 1 266.473 3.619 20 0 CHADMP CCCC[N@@H+](CCSC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196545664 1122926584 /nfs/dbraw/zinc/92/65/84/1122926584.db2.gz SMRBMYGIKKJCFQ-UHFFFAOYSA-N 2 1 286.529 3.761 20 0 CHADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCC13CCCCC3)C2 ZINC001167984765 1122938548 /nfs/dbraw/zinc/93/85/48/1122938548.db2.gz RDFVOYYPKVQKKA-JWTNVVGKSA-N 2 1 288.479 3.800 20 0 CHADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@@H+]1CCC13CCCCC3)C2 ZINC001167984765 1122938551 /nfs/dbraw/zinc/93/85/51/1122938551.db2.gz RDFVOYYPKVQKKA-JWTNVVGKSA-N 2 1 288.479 3.800 20 0 CHADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@H+]1CCC13CCCCC3)C2 ZINC001167984765 1122938555 /nfs/dbraw/zinc/93/85/55/1122938555.db2.gz RDFVOYYPKVQKKA-JWTNVVGKSA-N 2 1 288.479 3.800 20 0 CHADMP CCCCC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197590030 1122961765 /nfs/dbraw/zinc/96/17/65/1122961765.db2.gz OQLDXGSYRJUVIT-RBUKOAKNSA-N 2 1 286.463 3.631 20 0 CHADMP CCCCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197590030 1122961769 /nfs/dbraw/zinc/96/17/69/1122961769.db2.gz OQLDXGSYRJUVIT-RBUKOAKNSA-N 2 1 286.463 3.631 20 0 CHADMP CCCCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197590030 1122961772 /nfs/dbraw/zinc/96/17/72/1122961772.db2.gz OQLDXGSYRJUVIT-RBUKOAKNSA-N 2 1 286.463 3.631 20 0 CHADMP CCCCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197590030 1122961775 /nfs/dbraw/zinc/96/17/75/1122961775.db2.gz OQLDXGSYRJUVIT-RBUKOAKNSA-N 2 1 286.463 3.631 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCCC2CCCC2)[C@H](C)C1 ZINC000440696467 1123029549 /nfs/dbraw/zinc/02/95/49/1123029549.db2.gz UAWRMTXHSNGDOH-WBVHZDCISA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+]CC[N@H+](C)C2CCCCC2)CC1 ZINC001199812096 1123042893 /nfs/dbraw/zinc/04/28/93/1123042893.db2.gz HHFALTPSVQKEPH-CVEARBPZSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+]CC[N@@H+](C)C2CCCCC2)CC1 ZINC001199812096 1123042899 /nfs/dbraw/zinc/04/28/99/1123042899.db2.gz HHFALTPSVQKEPH-CVEARBPZSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1C[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001205901715 1123060102 /nfs/dbraw/zinc/06/01/02/1123060102.db2.gz FNHRYOPWCDGUAO-VWNJHIHFSA-N 2 1 292.854 3.503 20 0 CHADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CC4CCCCC4)C[C@H]3C2)cc1 ZINC001201397869 1123091860 /nfs/dbraw/zinc/09/18/60/1123091860.db2.gz WIPGZZXUZPVIKA-BGYRXZFFSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CC4CCCCC4)C[C@H]3C2)cc1 ZINC001201397869 1123091863 /nfs/dbraw/zinc/09/18/63/1123091863.db2.gz WIPGZZXUZPVIKA-BGYRXZFFSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](CC4CCCCC4)C[C@H]3C2)cc1 ZINC001201397869 1123091869 /nfs/dbraw/zinc/09/18/69/1123091869.db2.gz WIPGZZXUZPVIKA-BGYRXZFFSA-N 2 1 298.474 3.631 20 0 CHADMP C[C@H]1CCCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167991556 1123093893 /nfs/dbraw/zinc/09/38/93/1123093893.db2.gz CPDOHYQZWRVESK-QTXGHNMQSA-N 2 1 276.468 3.656 20 0 CHADMP C[C@H]1CCCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167991556 1123093896 /nfs/dbraw/zinc/09/38/96/1123093896.db2.gz CPDOHYQZWRVESK-QTXGHNMQSA-N 2 1 276.468 3.656 20 0 CHADMP C[C@H]1CCCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167991556 1123093902 /nfs/dbraw/zinc/09/39/02/1123093902.db2.gz CPDOHYQZWRVESK-QTXGHNMQSA-N 2 1 276.468 3.656 20 0 CHADMP CC[C@@H](C)C[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001201511325 1123114108 /nfs/dbraw/zinc/11/41/08/1123114108.db2.gz JBWSAVNWFXKXRE-MRXNPFEDSA-N 2 1 274.452 3.629 20 0 CHADMP CC[C@H](C)C[NH+]1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001201516781 1123120614 /nfs/dbraw/zinc/12/06/14/1123120614.db2.gz BGYQUHDXMTTZLC-HNNXBMFYSA-N 2 1 292.442 3.768 20 0 CHADMP CC[C@H](C)C[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001201516781 1123120617 /nfs/dbraw/zinc/12/06/17/1123120617.db2.gz BGYQUHDXMTTZLC-HNNXBMFYSA-N 2 1 292.442 3.768 20 0 CHADMP CCCC[N@@H+](Cc1ccc(F)cc1)C1CCN(C)CC1 ZINC001201723336 1123140731 /nfs/dbraw/zinc/14/07/31/1123140731.db2.gz YVXQZZYDXRKPTQ-UHFFFAOYSA-N 2 1 278.415 3.522 20 0 CHADMP CC[C@@H](C)Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001168000869 1123150599 /nfs/dbraw/zinc/15/05/99/1123150599.db2.gz YWSVWRHZBDOWNE-HIFRSBDPSA-N 2 1 286.423 3.561 20 0 CHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC2CCC2)CC1 ZINC000441509589 1123162892 /nfs/dbraw/zinc/16/28/92/1123162892.db2.gz IIVKKYNMIDRLMJ-UHFFFAOYSA-N 2 1 286.463 3.631 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000520557260 1123173258 /nfs/dbraw/zinc/17/32/58/1123173258.db2.gz GCTGUFLETKGHLJ-OWCLPIDISA-N 2 1 272.452 3.615 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000520557260 1123173262 /nfs/dbraw/zinc/17/32/62/1123173262.db2.gz GCTGUFLETKGHLJ-OWCLPIDISA-N 2 1 272.452 3.615 20 0 CHADMP CC1(C)CC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000520580656 1123178288 /nfs/dbraw/zinc/17/82/88/1123178288.db2.gz FTFJJFUCFYYXFI-ROUUACIJSA-N 2 1 298.474 3.962 20 0 CHADMP CC1(C)CC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000520580656 1123178290 /nfs/dbraw/zinc/17/82/90/1123178290.db2.gz FTFJJFUCFYYXFI-ROUUACIJSA-N 2 1 298.474 3.962 20 0 CHADMP CCC(CC)C[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001202184697 1123182916 /nfs/dbraw/zinc/18/29/16/1123182916.db2.gz UPKDHNXLTCFYDE-KRWDZBQOSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2CC(F)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168005133 1123192955 /nfs/dbraw/zinc/19/29/55/1123192955.db2.gz GMEVYWBVWVWFCK-XDKSHKPFSA-N 2 1 290.426 3.518 20 0 CHADMP Cc1cccc(C[N@H+](CCCn2ccnc2)CC(C)C)c1 ZINC000343324921 1123211275 /nfs/dbraw/zinc/21/12/75/1123211275.db2.gz YRKNZTAUEHCOTK-UHFFFAOYSA-N 2 1 285.435 3.740 20 0 CHADMP CC(C)[NH+](CCC[NH2+][C@H](C)c1cccs1)C(C)C ZINC000155820438 1129106894 /nfs/dbraw/zinc/10/68/94/1129106894.db2.gz JYCGDFHBEASWBT-CQSZACIVSA-N 2 1 268.470 3.908 20 0 CHADMP CC(C)[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(F)c(F)c1 ZINC000665247666 1123255830 /nfs/dbraw/zinc/25/58/30/1123255830.db2.gz HOCZTAHWSCQFJY-OAHLLOKOSA-N 2 1 282.378 3.523 20 0 CHADMP [NH3+]C1(C[NH2+]C2c3ccccc3-c3ccccc32)CCCC1 ZINC000665247683 1123257243 /nfs/dbraw/zinc/25/72/43/1123257243.db2.gz HUFMNAJQZRAACP-UHFFFAOYSA-N 2 1 278.399 3.618 20 0 CHADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665249734 1123263998 /nfs/dbraw/zinc/26/39/98/1123263998.db2.gz XZQKYHFJCWVUNV-CYBMUJFWSA-N 2 1 272.392 3.663 20 0 CHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2C=CCC2)CC1 ZINC000850508913 1123277284 /nfs/dbraw/zinc/27/72/84/1123277284.db2.gz LLOXSHGTHGXSLL-LMDPOFIKSA-N 2 1 284.447 3.738 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2C=CCC2)cc1 ZINC000850509925 1123277779 /nfs/dbraw/zinc/27/77/79/1123277779.db2.gz QAMXLSGRJODTER-CJNGLKHVSA-N 2 1 267.376 3.550 20 0 CHADMP CC(C)CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccoc1 ZINC000428217987 1123283264 /nfs/dbraw/zinc/28/32/64/1123283264.db2.gz IQAQTHDFKNRVIJ-MAUKXSAKSA-N 2 1 290.451 3.831 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc2c(s1)CCCC2 ZINC000156292456 1129111748 /nfs/dbraw/zinc/11/17/48/1129111748.db2.gz VMVKNIRGBIPYGG-KGLIPLIRSA-N 2 1 292.492 3.619 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc2c(s1)CCCC2 ZINC000156292456 1129111750 /nfs/dbraw/zinc/11/17/50/1129111750.db2.gz VMVKNIRGBIPYGG-KGLIPLIRSA-N 2 1 292.492 3.619 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000271336942 1129113118 /nfs/dbraw/zinc/11/31/18/1129113118.db2.gz BVPGFMIZPGKBMF-INIZCTEOSA-N 2 1 289.448 3.774 20 0 CHADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000474034894 1123318572 /nfs/dbraw/zinc/31/85/72/1123318572.db2.gz NAXSXNZRJGGJIE-OLZOCXBDSA-N 2 1 276.415 3.520 20 0 CHADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000474034894 1123318578 /nfs/dbraw/zinc/31/85/78/1123318578.db2.gz NAXSXNZRJGGJIE-OLZOCXBDSA-N 2 1 276.415 3.520 20 0 CHADMP C[N@@H+](CCc1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442784945 1123338341 /nfs/dbraw/zinc/33/83/41/1123338341.db2.gz UUXFHAYWTIUWJV-YOFSQIOKSA-N 2 1 294.442 3.597 20 0 CHADMP CC[N@@H+](CCC[NH+]1CCCCC1)Cc1c[nH]c2ccccc12 ZINC000442895226 1123348050 /nfs/dbraw/zinc/34/80/50/1123348050.db2.gz WPKODCCHIKZVCL-UHFFFAOYSA-N 2 1 299.462 3.866 20 0 CHADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(Cl)ccc1Cl ZINC000271820568 1129115763 /nfs/dbraw/zinc/11/57/63/1129115763.db2.gz CEILFKVTRAXDRQ-NSHDSACASA-N 2 1 299.245 3.906 20 0 CHADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1C(F)(F)F ZINC000271904029 1129115821 /nfs/dbraw/zinc/11/58/21/1129115821.db2.gz WDQLPJPIXOZXRF-LBPRGKRZSA-N 2 1 298.352 3.618 20 0 CHADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@H]1CCC13CCCC3)C2 ZINC000474066772 1123408100 /nfs/dbraw/zinc/40/81/00/1123408100.db2.gz QEWBGJKMJPUXLT-IBGZPJMESA-N 2 1 298.474 3.747 20 0 CHADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@H]1CCC13CCCC3)C2 ZINC000474066772 1123408105 /nfs/dbraw/zinc/40/81/05/1123408105.db2.gz QEWBGJKMJPUXLT-IBGZPJMESA-N 2 1 298.474 3.747 20 0 CHADMP C[C@H](CSC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853239648 1123429088 /nfs/dbraw/zinc/42/90/88/1123429088.db2.gz ITIVZORDYWKPIR-ZBFHGGJFSA-N 2 1 298.540 3.618 20 0 CHADMP C[C@H](c1ccccc1F)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157100329 1129121712 /nfs/dbraw/zinc/12/17/12/1129121712.db2.gz GSGYBYLHWORXLW-CVEARBPZSA-N 2 1 290.426 3.837 20 0 CHADMP C[C@H](c1ccccc1F)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157100329 1129121715 /nfs/dbraw/zinc/12/17/15/1129121715.db2.gz GSGYBYLHWORXLW-CVEARBPZSA-N 2 1 290.426 3.837 20 0 CHADMP CC[C@H](C[NH2+]C[C@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC001648959939 1123439059 /nfs/dbraw/zinc/43/90/59/1123439059.db2.gz GEEIIJLOEOLHQE-IAGOWNOFSA-N 2 1 274.452 3.502 20 0 CHADMP C[C@H]1C[C@H]([N@@H+](C)CCCC2CCCCC2)CCN1C ZINC000428284959 1123442625 /nfs/dbraw/zinc/44/26/25/1123442625.db2.gz MWNJGMHQAYZCAV-DOTOQJQBSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)CCCC2CCCCC2)CC[N@@H+]1C ZINC000428284959 1123442627 /nfs/dbraw/zinc/44/26/27/1123442627.db2.gz MWNJGMHQAYZCAV-DOTOQJQBSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)CCCC2CCCCC2)CC[N@H+]1C ZINC000428284959 1123442632 /nfs/dbraw/zinc/44/26/32/1123442632.db2.gz MWNJGMHQAYZCAV-DOTOQJQBSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@H]1C[C@H]([N@H+](C)CCCC2CCCCC2)CC[NH+]1C ZINC000428284959 1123442634 /nfs/dbraw/zinc/44/26/34/1123442634.db2.gz MWNJGMHQAYZCAV-DOTOQJQBSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@H]1C[C@H]([N@@H+](C)CCCC2CCCCC2)CC[NH+]1C ZINC000428284959 1123442636 /nfs/dbraw/zinc/44/26/36/1123442636.db2.gz MWNJGMHQAYZCAV-DOTOQJQBSA-N 2 1 266.473 3.761 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCSCC(C)C)C[C@@H]1C ZINC000443618673 1123447441 /nfs/dbraw/zinc/44/74/41/1123447441.db2.gz DXLDKYHZJISPGH-JKSUJKDBSA-N 2 1 286.529 3.570 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCSCC(C)C)C[C@@H]1C ZINC000443618673 1123447442 /nfs/dbraw/zinc/44/74/42/1123447442.db2.gz DXLDKYHZJISPGH-JKSUJKDBSA-N 2 1 286.529 3.570 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCSCC(C)C)C[C@@H]1C ZINC000443618673 1123447444 /nfs/dbraw/zinc/44/74/44/1123447444.db2.gz DXLDKYHZJISPGH-JKSUJKDBSA-N 2 1 286.529 3.570 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](CCC(C)C)C2)C1 ZINC001648960819 1123453297 /nfs/dbraw/zinc/45/32/97/1123453297.db2.gz VYJMXBHPDUMEQV-RCCFBDPRSA-N 2 1 280.500 3.913 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2C(C)=CCC[C@H]2C)C1 ZINC000443641377 1123456143 /nfs/dbraw/zinc/45/61/43/1123456143.db2.gz PHFTXZKWDVBWQH-FGTMMUONSA-N 2 1 278.484 3.643 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2C(C)=CCC[C@@H]2C)C[C@@H]1C ZINC000443662079 1123464776 /nfs/dbraw/zinc/46/47/76/1123464776.db2.gz UMVRWRKEKCFAIT-XLAORIBOSA-N 2 1 278.484 3.783 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2C(C)=CCC[C@@H]2C)C[C@@H]1C ZINC000443662079 1123464777 /nfs/dbraw/zinc/46/47/77/1123464777.db2.gz UMVRWRKEKCFAIT-XLAORIBOSA-N 2 1 278.484 3.783 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2C(C)=CCC[C@@H]2C)C[C@@H]1C ZINC000443662079 1123464780 /nfs/dbraw/zinc/46/47/80/1123464780.db2.gz UMVRWRKEKCFAIT-XLAORIBOSA-N 2 1 278.484 3.783 20 0 CHADMP CC[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1cccs1 ZINC000052206036 1123478650 /nfs/dbraw/zinc/47/86/50/1123478650.db2.gz OVDMHWBQDAUBCG-UONOGXRCSA-N 2 1 266.454 3.663 20 0 CHADMP C1=C[C@H](C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000895527282 1123488461 /nfs/dbraw/zinc/48/84/61/1123488461.db2.gz LRRSTOFFPRDHLZ-XKGZKEIXSA-N 2 1 296.458 3.910 20 0 CHADMP C1=C[C@H](C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000895527282 1123488463 /nfs/dbraw/zinc/48/84/63/1123488463.db2.gz LRRSTOFFPRDHLZ-XKGZKEIXSA-N 2 1 296.458 3.910 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](c2ccccc2)C(C)C)C1 ZINC000474263544 1123497087 /nfs/dbraw/zinc/49/70/87/1123497087.db2.gz CYZJBECDSLDYRY-PKOBYXMFSA-N 2 1 288.479 3.700 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](c2ccccc2)C(C)C)C1 ZINC000474263544 1123497089 /nfs/dbraw/zinc/49/70/89/1123497089.db2.gz CYZJBECDSLDYRY-PKOBYXMFSA-N 2 1 288.479 3.700 20 0 CHADMP CCC[NH+]1CCC([N@H+](C)C/C=C/c2ccccc2)CC1 ZINC000114721699 1123507291 /nfs/dbraw/zinc/50/72/91/1123507291.db2.gz OCUCYTXDRCFIOH-JXMROGBWSA-N 2 1 272.436 3.506 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)C/C=C/c2ccccc2)CC1 ZINC000114721699 1123507294 /nfs/dbraw/zinc/50/72/94/1123507294.db2.gz OCUCYTXDRCFIOH-JXMROGBWSA-N 2 1 272.436 3.506 20 0 CHADMP CCc1cccc(Cl)c1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000474349844 1123511405 /nfs/dbraw/zinc/51/14/05/1123511405.db2.gz XMQJFJPLGIQXQY-HUUCEWRRSA-N 2 1 292.854 3.619 20 0 CHADMP CCC1(CC)CCC([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000474424182 1123525738 /nfs/dbraw/zinc/52/57/38/1123525738.db2.gz BCFYWWNVOSABIX-HOCLYGCPSA-N 2 1 266.473 3.665 20 0 CHADMP CCC1(CC)CCC([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000474424182 1123525742 /nfs/dbraw/zinc/52/57/42/1123525742.db2.gz BCFYWWNVOSABIX-HOCLYGCPSA-N 2 1 266.473 3.665 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000474474016 1123536438 /nfs/dbraw/zinc/53/64/38/1123536438.db2.gz VLGHTCZGOOGHOC-KBPBESRZSA-N 2 1 294.870 3.906 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000474710296 1123575276 /nfs/dbraw/zinc/57/52/76/1123575276.db2.gz IVPZWGCTLWWHRW-KSZLIROESA-N 2 1 280.500 3.911 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)C2CCCC2)c1 ZINC000474716532 1123576541 /nfs/dbraw/zinc/57/65/41/1123576541.db2.gz XWNCWKLOFCMIFI-OAHLLOKOSA-N 2 1 274.452 3.807 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C1CCCC1 ZINC000453399449 1123581614 /nfs/dbraw/zinc/58/16/14/1123581614.db2.gz JZTUBBJEGBENMV-SNRMKQJTSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C1CCCC1 ZINC000453399449 1123581617 /nfs/dbraw/zinc/58/16/17/1123581617.db2.gz JZTUBBJEGBENMV-SNRMKQJTSA-N 2 1 286.463 3.990 20 0 CHADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C1CCSCC1 ZINC000474868042 1123605541 /nfs/dbraw/zinc/60/55/41/1123605541.db2.gz KBEPXNRXDPQJRS-NVXWUHKLSA-N 2 1 298.540 3.618 20 0 CHADMP C[C@H]1CC([N@H+]2CCC3(CC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168043836 1123605650 /nfs/dbraw/zinc/60/56/50/1123605650.db2.gz DCYODULQQKWPII-IRXDYDNUSA-N 2 1 298.474 3.914 20 0 CHADMP C[C@H]([NH2+]C(C1CC1)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274904680 1129133471 /nfs/dbraw/zinc/13/34/71/1129133471.db2.gz LXULRYPXVPQMMM-HNAYVOBHSA-N 2 1 298.474 3.675 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2)CC1(C)C ZINC000858110721 1123631521 /nfs/dbraw/zinc/63/15/21/1123631521.db2.gz ZBXPDRPMXDEVKM-GOSISDBHSA-N 2 1 282.431 3.802 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cccs1 ZINC000157922352 1129134781 /nfs/dbraw/zinc/13/47/81/1129134781.db2.gz ULNKCFNSSHZOAY-CABCVRRESA-N 2 1 280.481 3.911 20 0 CHADMP C[N@@H+](Cc1cc(-n2ccnc2)cs1)C1CCCCC1 ZINC000346127081 1123665656 /nfs/dbraw/zinc/66/56/56/1123665656.db2.gz AFPUHQOWIGBKBT-UHFFFAOYSA-N 2 1 275.421 3.698 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccccc2)c1 ZINC000173387805 1123671521 /nfs/dbraw/zinc/67/15/21/1123671521.db2.gz ZVFQBJISJDFARE-INIZCTEOSA-N 2 1 282.431 3.989 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccc(Cl)cc1)C(C)C ZINC000346353158 1123680701 /nfs/dbraw/zinc/68/07/01/1123680701.db2.gz RDXVYYNTIVTTDD-INIZCTEOSA-N 2 1 291.826 3.832 20 0 CHADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC000346639363 1123703918 /nfs/dbraw/zinc/70/39/18/1123703918.db2.gz KBJCDPUUMRFINV-BEFAXECRSA-N 2 1 280.415 3.523 20 0 CHADMP Fc1cccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC000346827080 1123724467 /nfs/dbraw/zinc/72/44/67/1123724467.db2.gz HHXCUYLTKAQOJK-INIZCTEOSA-N 2 1 290.426 3.570 20 0 CHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4)s3)C[C@@H]12 ZINC000346850689 1123725178 /nfs/dbraw/zinc/72/51/78/1123725178.db2.gz VCOUTJQGFWKSAF-DJIMGWMZSA-N 2 1 298.455 3.584 20 0 CHADMP CC(C)C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccs1 ZINC000158205059 1129141604 /nfs/dbraw/zinc/14/16/04/1129141604.db2.gz LGIOUCIZMVHHIP-HUUCEWRRSA-N 2 1 280.481 3.767 20 0 CHADMP CC(C)C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccs1 ZINC000158205059 1129141606 /nfs/dbraw/zinc/14/16/06/1129141606.db2.gz LGIOUCIZMVHHIP-HUUCEWRRSA-N 2 1 280.481 3.767 20 0 CHADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(Cl)c1Cl ZINC000276673749 1129145804 /nfs/dbraw/zinc/14/58/04/1129145804.db2.gz PIJIWMZCVDLOHR-SNVBAGLBSA-N 2 1 298.217 3.620 20 0 CHADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000086906390 1123800037 /nfs/dbraw/zinc/80/00/37/1123800037.db2.gz IUKFUGFMWPVCHQ-IKGGRYGDSA-N 2 1 266.473 3.665 20 0 CHADMP CC[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000086903867 1123800769 /nfs/dbraw/zinc/80/07/69/1123800769.db2.gz YHQUQCBUYMUTLC-LSDHHAIUSA-N 2 1 264.457 3.562 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)Cc1ccccc1SC ZINC000475343887 1123845799 /nfs/dbraw/zinc/84/57/99/1123845799.db2.gz UPEYFWFSHDBSFT-HUUCEWRRSA-N 2 1 294.508 3.659 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000863548588 1123876002 /nfs/dbraw/zinc/87/60/02/1123876002.db2.gz QIQMPTXDVDYHKL-OAHLLOKOSA-N 2 1 296.405 3.663 20 0 CHADMP CCC1(C)CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339066223 1123919255 /nfs/dbraw/zinc/91/92/55/1123919255.db2.gz FVYDQQQNKMLTCV-YZUHTNEWSA-N 2 1 264.457 3.562 20 0 CHADMP Cc1cc[nH+]c(NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000301659497 1123921616 /nfs/dbraw/zinc/92/16/16/1123921616.db2.gz WTDVKYVVLSQVII-UHFFFAOYSA-N 2 1 295.430 3.988 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCc3ccc(F)cc32)[C@@H](C)C1 ZINC000475498609 1123995232 /nfs/dbraw/zinc/99/52/32/1123995232.db2.gz ZWMORQOAPYWTCB-VHSSKADRSA-N 2 1 290.426 3.523 20 0 CHADMP CC[C@@H](C[N@@H+](CC)C[C@@]1(C)CC[NH2+]C1)c1ccccc1 ZINC000567234887 1124008152 /nfs/dbraw/zinc/00/81/52/1124008152.db2.gz PXHSAXWGXNYZDS-WMZOPIPTSA-N 2 1 274.452 3.502 20 0 CHADMP CCC(CC)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C(F)(F)F ZINC000865756296 1124010597 /nfs/dbraw/zinc/01/05/97/1124010597.db2.gz IYDDWGMDCFWNHQ-QWHCGFSZSA-N 2 1 292.389 3.572 20 0 CHADMP CC[C@@H](C)[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000444602023 1124045807 /nfs/dbraw/zinc/04/58/07/1124045807.db2.gz YBRATHXTASRITP-IAGOWNOFSA-N 2 1 266.473 3.763 20 0 CHADMP CC[N@@H+](CCC[NH+]1CCCCC1)[C@@H](C)Cc1ccsc1 ZINC000444632284 1124046376 /nfs/dbraw/zinc/04/63/76/1124046376.db2.gz ZBWYGXYSSLZROW-INIZCTEOSA-N 2 1 294.508 3.877 20 0 CHADMP CCC[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000444639279 1124049400 /nfs/dbraw/zinc/04/94/00/1124049400.db2.gz MXIQGEGQTCOXBN-INIZCTEOSA-N 2 1 252.446 3.517 20 0 CHADMP c1ccc(C[N@H+](CCC[NH+]2CCCCC2)C2CC2)cc1 ZINC000195632315 1124066184 /nfs/dbraw/zinc/06/61/84/1124066184.db2.gz YDIPJANFFRFAEK-UHFFFAOYSA-N 2 1 272.436 3.527 20 0 CHADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000447536966 1124485365 /nfs/dbraw/zinc/48/53/65/1124485365.db2.gz ROSSZUNULRCPHG-YSSFQJQWSA-N 2 1 298.474 3.945 20 0 CHADMP CC(C)[C@@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccccc21 ZINC000447575282 1124495921 /nfs/dbraw/zinc/49/59/21/1124495921.db2.gz RNZUTTQWCVTYSV-OALUTQOASA-N 2 1 284.447 3.723 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1Cl ZINC000447734716 1124516318 /nfs/dbraw/zinc/51/63/18/1124516318.db2.gz YNVAFEWLKDZFFA-RDJZCZTQSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000447734716 1124516322 /nfs/dbraw/zinc/51/63/22/1124516322.db2.gz YNVAFEWLKDZFFA-RDJZCZTQSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1Cl ZINC000447734716 1124516324 /nfs/dbraw/zinc/51/63/24/1124516324.db2.gz YNVAFEWLKDZFFA-RDJZCZTQSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1Cl ZINC000447734716 1124516328 /nfs/dbraw/zinc/51/63/28/1124516328.db2.gz YNVAFEWLKDZFFA-RDJZCZTQSA-N 2 1 292.854 3.565 20 0 CHADMP CC[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1c[nH]c2ccccc12 ZINC000526949708 1124527177 /nfs/dbraw/zinc/52/71/77/1124527177.db2.gz OHSQSHSKTDXDCA-QGZVFWFLSA-N 2 1 299.462 3.864 20 0 CHADMP CC[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1c[nH]c2ccccc12 ZINC000526949708 1124527180 /nfs/dbraw/zinc/52/71/80/1124527180.db2.gz OHSQSHSKTDXDCA-QGZVFWFLSA-N 2 1 299.462 3.864 20 0 CHADMP CC[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1c[nH]c2ccccc12 ZINC000526949708 1124527188 /nfs/dbraw/zinc/52/71/88/1124527188.db2.gz OHSQSHSKTDXDCA-QGZVFWFLSA-N 2 1 299.462 3.864 20 0 CHADMP CC[NH+]1CCC([N@H+](C)CC[C@H](C)c2ccccc2)CC1 ZINC000447794922 1124527411 /nfs/dbraw/zinc/52/74/11/1124527411.db2.gz KXGCUOGPUCQHCN-INIZCTEOSA-N 2 1 274.452 3.596 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)CC[C@H](C)c2ccccc2)CC1 ZINC000447794922 1124527416 /nfs/dbraw/zinc/52/74/16/1124527416.db2.gz KXGCUOGPUCQHCN-INIZCTEOSA-N 2 1 274.452 3.596 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000448066298 1124558905 /nfs/dbraw/zinc/55/89/05/1124558905.db2.gz DBVXPVXQMUIOAZ-VQIMIIECSA-N 2 1 298.474 3.819 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000448066298 1124558915 /nfs/dbraw/zinc/55/89/15/1124558915.db2.gz DBVXPVXQMUIOAZ-VQIMIIECSA-N 2 1 298.474 3.819 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc3ccoc32)C1 ZINC000449028253 1124635209 /nfs/dbraw/zinc/63/52/09/1124635209.db2.gz KUYHXANLEMTEPZ-HNNXBMFYSA-N 2 1 286.419 3.597 20 0 CHADMP c1ccc2c(c1)CCCC[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000872025583 1124659571 /nfs/dbraw/zinc/65/95/71/1124659571.db2.gz PLRTZADUMWXAQU-SLFFLAALSA-N 2 1 298.474 3.541 20 0 CHADMP CC(C)CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000449176722 1124661134 /nfs/dbraw/zinc/66/11/34/1124661134.db2.gz UEWQBABFLODTEZ-NCOADZHNSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000449176722 1124661131 /nfs/dbraw/zinc/66/11/31/1124661131.db2.gz UEWQBABFLODTEZ-NCOADZHNSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC23CCC3)C1 ZINC000449211251 1124670695 /nfs/dbraw/zinc/67/06/95/1124670695.db2.gz RTIJFWKPDXYYEK-SJORKVTESA-N 2 1 278.484 3.667 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCC23CCC3)C1 ZINC000449211249 1124670833 /nfs/dbraw/zinc/67/08/33/1124670833.db2.gz RTIJFWKPDXYYEK-IRXDYDNUSA-N 2 1 278.484 3.667 20 0 CHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCC(C)(F)F ZINC000449355059 1124708181 /nfs/dbraw/zinc/70/81/81/1124708181.db2.gz UZBPBTJFKZNEMI-UHFFFAOYSA-N 2 1 298.421 3.780 20 0 CHADMP CC(C)C[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000019914600 1124769894 /nfs/dbraw/zinc/76/98/94/1124769894.db2.gz CYSUCVIFJHOLJG-INIZCTEOSA-N 2 1 274.452 3.675 20 0 CHADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560033 1124802500 /nfs/dbraw/zinc/80/25/00/1124802500.db2.gz FFNAZKBGWKNSCH-ZCRFILTFSA-N 2 1 264.457 3.560 20 0 CHADMP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560458 1124803511 /nfs/dbraw/zinc/80/35/11/1124803511.db2.gz LKHPSYVORDNUNB-XWDNEUNKSA-N 2 1 278.484 3.806 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H](C)C1CCCCC1 ZINC000449560917 1124803815 /nfs/dbraw/zinc/80/38/15/1124803815.db2.gz QUQNCNYQXXBBLB-IZVVFDKHSA-N 2 1 278.484 3.806 20 0 CHADMP C[C@H](CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)CC(C)(C)C ZINC000443205720 1124912754 /nfs/dbraw/zinc/91/27/54/1124912754.db2.gz UOZLYPGCEDHXMO-FXUDXRNXSA-N 2 1 268.489 3.767 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CSC(C)(C)C)C1 ZINC000125850405 1124933905 /nfs/dbraw/zinc/93/39/05/1124933905.db2.gz VKPFGLUHCRMCTH-GJZGRUSLSA-N 2 1 286.529 3.617 20 0 CHADMP C[C@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C1CC(F)(F)C1 ZINC000529530940 1124981102 /nfs/dbraw/zinc/98/11/02/1124981102.db2.gz JRSFVQMEHYYFRJ-OLZOCXBDSA-N 2 1 288.426 3.520 20 0 CHADMP C[C@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1)C1CC(F)(F)C1 ZINC000529530940 1124981108 /nfs/dbraw/zinc/98/11/08/1124981108.db2.gz JRSFVQMEHYYFRJ-OLZOCXBDSA-N 2 1 288.426 3.520 20 0 CHADMP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1)C1CC(F)(F)C1 ZINC000529530941 1124981176 /nfs/dbraw/zinc/98/11/76/1124981176.db2.gz JRSFVQMEHYYFRJ-QWHCGFSZSA-N 2 1 288.426 3.520 20 0 CHADMP C[C@@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1)C1CC(F)(F)C1 ZINC000529530941 1124981181 /nfs/dbraw/zinc/98/11/81/1124981181.db2.gz JRSFVQMEHYYFRJ-QWHCGFSZSA-N 2 1 288.426 3.520 20 0 CHADMP CSC(C)(C)CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000877188812 1125018971 /nfs/dbraw/zinc/01/89/71/1125018971.db2.gz HIWLLFQYFDOOBP-GJZGRUSLSA-N 2 1 298.540 3.761 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC2=CCCCC2)C[C@@H]1C ZINC000450464650 1125036761 /nfs/dbraw/zinc/03/67/61/1125036761.db2.gz AODAKNWBCVQHNL-DOTOQJQBSA-N 2 1 264.457 3.682 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC2=CCCCC2)C[C@@H]1C ZINC000450464650 1125036767 /nfs/dbraw/zinc/03/67/67/1125036767.db2.gz AODAKNWBCVQHNL-DOTOQJQBSA-N 2 1 264.457 3.682 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC2=CCCCC2)C[C@@H]1C ZINC000450464650 1125036772 /nfs/dbraw/zinc/03/67/72/1125036772.db2.gz AODAKNWBCVQHNL-DOTOQJQBSA-N 2 1 264.457 3.682 20 0 CHADMP C[N@H+]1CCC[C@@H]2C[NH+](CC/C=C\c3ccccc3)CC[C@@H]21 ZINC000450500974 1125046655 /nfs/dbraw/zinc/04/66/55/1125046655.db2.gz MCIMUHCPQWNJBT-JGVVQZMTSA-N 2 1 284.447 3.506 20 0 CHADMP C[NH+]1CCC[C@@H]2C[N@H+](CC/C=C\c3ccccc3)CC[C@@H]21 ZINC000450500974 1125046660 /nfs/dbraw/zinc/04/66/60/1125046660.db2.gz MCIMUHCPQWNJBT-JGVVQZMTSA-N 2 1 284.447 3.506 20 0 CHADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC/C=C\c3ccccc3)CC[C@@H]21 ZINC000450500974 1125046665 /nfs/dbraw/zinc/04/66/65/1125046665.db2.gz MCIMUHCPQWNJBT-JGVVQZMTSA-N 2 1 284.447 3.506 20 0 CHADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CC3=CCCCC3)C1)CCCC2 ZINC000450786351 1125103701 /nfs/dbraw/zinc/10/37/01/1125103701.db2.gz PSCSWGUBEDUTED-QGZVFWFLSA-N 2 1 299.462 3.818 20 0 CHADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CC3=CCCCC3)C1)CCCC2 ZINC000450786351 1125103707 /nfs/dbraw/zinc/10/37/07/1125103707.db2.gz PSCSWGUBEDUTED-QGZVFWFLSA-N 2 1 299.462 3.818 20 0 CHADMP CC1(C)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390696305 1125110587 /nfs/dbraw/zinc/11/05/87/1125110587.db2.gz RQMIWHUHJCIHMG-IPQPSQTFSA-N 2 1 298.474 3.960 20 0 CHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C=CCCC1 ZINC000390982485 1125118243 /nfs/dbraw/zinc/11/82/43/1125118243.db2.gz WGLQLVGXYULVLF-MOPGFXCFSA-N 2 1 298.474 3.985 20 0 CHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C=CCCC1 ZINC000390982485 1125118248 /nfs/dbraw/zinc/11/82/48/1125118248.db2.gz WGLQLVGXYULVLF-MOPGFXCFSA-N 2 1 298.474 3.985 20 0 CHADMP C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530178550 1125132122 /nfs/dbraw/zinc/13/21/22/1125132122.db2.gz MFVBALJWYBYIPA-AAEUAGOBSA-N 2 1 298.883 3.597 20 0 CHADMP CC(C)C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000530225194 1125133128 /nfs/dbraw/zinc/13/31/28/1125133128.db2.gz XBIDFFHURKMHKO-DLBZAZTESA-N 2 1 272.436 3.648 20 0 CHADMP C(C1CC2(CCC2)C1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000878286351 1125138328 /nfs/dbraw/zinc/13/83/28/1125138328.db2.gz NKHLBRVLIYQEJW-SJLPKXTDSA-N 2 1 288.479 3.515 20 0 CHADMP C(C1CC2(CCC2)C1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000878286351 1125138332 /nfs/dbraw/zinc/13/83/32/1125138332.db2.gz NKHLBRVLIYQEJW-SJLPKXTDSA-N 2 1 288.479 3.515 20 0 CHADMP C(C1CC2(CCC2)C1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000878286351 1125138334 /nfs/dbraw/zinc/13/83/34/1125138334.db2.gz NKHLBRVLIYQEJW-SJLPKXTDSA-N 2 1 288.479 3.515 20 0 CHADMP C(C1CC2(CCC2)C1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000878286348 1125138657 /nfs/dbraw/zinc/13/86/57/1125138657.db2.gz NKHLBRVLIYQEJW-AEFFLSMTSA-N 2 1 288.479 3.515 20 0 CHADMP C(C1CC2(CCC2)C1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000878286348 1125138662 /nfs/dbraw/zinc/13/86/62/1125138662.db2.gz NKHLBRVLIYQEJW-AEFFLSMTSA-N 2 1 288.479 3.515 20 0 CHADMP C(C1CC2(CCC2)C1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000878286348 1125138667 /nfs/dbraw/zinc/13/86/67/1125138667.db2.gz NKHLBRVLIYQEJW-AEFFLSMTSA-N 2 1 288.479 3.515 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)cc(C)c2)C[C@H]1C ZINC000530662673 1125171143 /nfs/dbraw/zinc/17/11/43/1125171143.db2.gz DJXGVFNDUQEQTB-AEFFLSMTSA-N 2 1 274.452 3.608 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)cc(C)c2)C[C@H]1C ZINC000530662673 1125171145 /nfs/dbraw/zinc/17/11/45/1125171145.db2.gz DJXGVFNDUQEQTB-AEFFLSMTSA-N 2 1 274.452 3.608 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)cc(C)c2)C[C@H]1C ZINC000530662673 1125171147 /nfs/dbraw/zinc/17/11/47/1125171147.db2.gz DJXGVFNDUQEQTB-AEFFLSMTSA-N 2 1 274.452 3.608 20 0 CHADMP CC(C)=CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000530711832 1125173394 /nfs/dbraw/zinc/17/33/94/1125173394.db2.gz ILOFFBIGFAKFFX-PKOBYXMFSA-N 2 1 286.463 3.938 20 0 CHADMP CC(C)=CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000530711832 1125173399 /nfs/dbraw/zinc/17/33/99/1125173399.db2.gz ILOFFBIGFAKFFX-PKOBYXMFSA-N 2 1 286.463 3.938 20 0 CHADMP CC(C)=CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000530711832 1125173403 /nfs/dbraw/zinc/17/34/03/1125173403.db2.gz ILOFFBIGFAKFFX-PKOBYXMFSA-N 2 1 286.463 3.938 20 0 CHADMP CC(C)=CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000530711832 1125173408 /nfs/dbraw/zinc/17/34/08/1125173408.db2.gz ILOFFBIGFAKFFX-PKOBYXMFSA-N 2 1 286.463 3.938 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCSc2ccccc2)C[C@@H]1C ZINC000531140092 1125197086 /nfs/dbraw/zinc/19/70/86/1125197086.db2.gz LABFIWVCSVDDGO-JKSUJKDBSA-N 2 1 292.492 3.583 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCSc2ccccc2)C[C@@H]1C ZINC000531140092 1125197089 /nfs/dbraw/zinc/19/70/89/1125197089.db2.gz LABFIWVCSVDDGO-JKSUJKDBSA-N 2 1 292.492 3.583 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCSc2ccccc2)C[C@@H]1C ZINC000531140092 1125197093 /nfs/dbraw/zinc/19/70/93/1125197093.db2.gz LABFIWVCSVDDGO-JKSUJKDBSA-N 2 1 292.492 3.583 20 0 CHADMP CC[C@@H](C[NH2+][C@H](C)CCC=C(C)C)[NH+]1CCCC1 ZINC000532195428 1125239156 /nfs/dbraw/zinc/23/91/56/1125239156.db2.gz JASGQQNUAZELOP-CVEARBPZSA-N 2 1 252.446 3.585 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000532236292 1125244471 /nfs/dbraw/zinc/24/44/71/1125244471.db2.gz ILFAYQSMQUGSKZ-KMFMINBZSA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000532236292 1125244475 /nfs/dbraw/zinc/24/44/75/1125244475.db2.gz ILFAYQSMQUGSKZ-KMFMINBZSA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000532236292 1125244480 /nfs/dbraw/zinc/24/44/80/1125244480.db2.gz ILFAYQSMQUGSKZ-KMFMINBZSA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000532236292 1125244482 /nfs/dbraw/zinc/24/44/82/1125244482.db2.gz ILFAYQSMQUGSKZ-KMFMINBZSA-N 2 1 292.854 3.817 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2)C(C)(C)[N@H+]1CCc1cncn1C ZINC000880594580 1125282033 /nfs/dbraw/zinc/28/20/33/1125282033.db2.gz UQVZCQGRHIULMH-CRAIPNDOSA-N 2 1 297.446 3.619 20 0 CHADMP C[C@@H](c1ccccc1Cl)[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251571462 1125284105 /nfs/dbraw/zinc/28/41/05/1125284105.db2.gz USLBVINVBOFPDY-ICIURTGMSA-N 2 1 278.827 3.616 20 0 CHADMP C[C@@H](c1ccccc1Cl)[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251571462 1125284110 /nfs/dbraw/zinc/28/41/10/1125284110.db2.gz USLBVINVBOFPDY-ICIURTGMSA-N 2 1 278.827 3.616 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)CCC2 ZINC000179526193 1125285778 /nfs/dbraw/zinc/28/57/78/1125285778.db2.gz YTXUAEIGBBBYMV-ILRDRHFLSA-N 2 1 286.463 3.691 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(CNc2cc[nH+]cc2C)cc1F ZINC000191979649 1125331005 /nfs/dbraw/zinc/33/10/05/1125331005.db2.gz VWEJQSJIXJVWFX-UHFFFAOYSA-N 2 1 296.349 3.635 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C=CCCC1 ZINC000398047831 1125333018 /nfs/dbraw/zinc/33/30/18/1125333018.db2.gz WMKZRXPUYSAUPP-QRQLOZEOSA-N 2 1 284.447 3.595 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C=CCCC1 ZINC000398047831 1125333022 /nfs/dbraw/zinc/33/30/22/1125333022.db2.gz WMKZRXPUYSAUPP-QRQLOZEOSA-N 2 1 284.447 3.595 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC1(C)C ZINC000398181120 1125337253 /nfs/dbraw/zinc/33/72/53/1125337253.db2.gz HTRDCGWYHGKDPR-BPQIPLTHSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC1(C)C ZINC000398181120 1125337254 /nfs/dbraw/zinc/33/72/54/1125337254.db2.gz HTRDCGWYHGKDPR-BPQIPLTHSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(C)(C)C ZINC000398214268 1125337458 /nfs/dbraw/zinc/33/74/58/1125337458.db2.gz QOZFSMUGIVEBGW-WMZOPIPTSA-N 2 1 288.479 3.923 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(C)(C)C ZINC000398214262 1125337960 /nfs/dbraw/zinc/33/79/60/1125337960.db2.gz QOZFSMUGIVEBGW-FUHWJXTLSA-N 2 1 288.479 3.923 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC[C@@H](C)CC2)cn1 ZINC000882905761 1125361159 /nfs/dbraw/zinc/36/11/59/1125361159.db2.gz SSRDKBFHABEXFU-RHSMWYFYSA-N 2 1 298.434 3.634 20 0 CHADMP Cc1cc([NH+]2CCCCC2)ccc1NC1(C)CC[NH2+]CC1 ZINC001168189347 1125366717 /nfs/dbraw/zinc/36/67/17/1125366717.db2.gz PYJITIJFIKFVIU-UHFFFAOYSA-N 2 1 287.451 3.539 20 0 CHADMP C[C@H](CCc1ccco1)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000037901170 1125369408 /nfs/dbraw/zinc/36/94/08/1125369408.db2.gz SBRQTHNNBGYQJN-MRXNPFEDSA-N 2 1 292.467 3.845 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@H]1CCc2c1cccc2Cl ZINC000532445814 1125387592 /nfs/dbraw/zinc/38/75/92/1125387592.db2.gz QAWOPMRDCYYLKY-INIZCTEOSA-N 2 1 280.843 3.649 20 0 CHADMP CC(C)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000040621175 1125388913 /nfs/dbraw/zinc/38/89/13/1125388913.db2.gz XNASBUSZQHTQJZ-KRWDZBQOSA-N 2 1 274.452 3.630 20 0 CHADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc3ccccc3o2)C1 ZINC000040622037 1125389028 /nfs/dbraw/zinc/38/90/28/1125389028.db2.gz AGEPFPIOKMZGBO-LSDHHAIUSA-N 2 1 286.419 3.814 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc3ccccc3o2)C1 ZINC000040622037 1125389031 /nfs/dbraw/zinc/38/90/31/1125389031.db2.gz AGEPFPIOKMZGBO-LSDHHAIUSA-N 2 1 286.419 3.814 20 0 CHADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000044533265 1125394417 /nfs/dbraw/zinc/39/44/17/1125394417.db2.gz IBZRSJIIYBJCFH-IAGOWNOFSA-N 2 1 288.479 3.674 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CC(c3ccc(Cl)cc3)C2)C1 ZINC000044533501 1125394522 /nfs/dbraw/zinc/39/45/22/1125394522.db2.gz BULFGHPYQKUGBS-KTAKPFMOSA-N 2 1 292.854 3.517 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000229620704 1125395443 /nfs/dbraw/zinc/39/54/43/1125395443.db2.gz FIQNWOYABSKCLG-OAHLLOKOSA-N 2 1 285.435 3.522 20 0 CHADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1F ZINC000532503973 1125407594 /nfs/dbraw/zinc/40/75/94/1125407594.db2.gz WPEBLQTUWPDEEC-XJKSGUPXSA-N 2 1 280.431 3.843 20 0 CHADMP CCC[C@@H]([NH2+]CCn1cc[nH+]c1C)C1CCCCC1 ZINC000532495117 1125408323 /nfs/dbraw/zinc/40/83/23/1125408323.db2.gz YWFFTELLZYGNAX-MRXNPFEDSA-N 2 1 263.429 3.530 20 0 CHADMP C[C@H](C[NH2+]C[C@H]1C[C@@H]1c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000348238448 1125426488 /nfs/dbraw/zinc/42/64/88/1125426488.db2.gz FGVRFLZVBVHHFW-PSBWJHGTSA-N 2 1 286.463 3.500 20 0 CHADMP C[C@H](C[NH2+]C[C@H]1C[C@@H]1c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000348238448 1125426490 /nfs/dbraw/zinc/42/64/90/1125426490.db2.gz FGVRFLZVBVHHFW-PSBWJHGTSA-N 2 1 286.463 3.500 20 0 CHADMP Cc1cccc([C@H]2CCC[N@H+]2CC[C@@H]2CCCC[NH2+]2)c1 ZINC001204849313 1125433111 /nfs/dbraw/zinc/43/31/11/1125433111.db2.gz ZAXJDYUCZQGDQI-ZWKOTPCHSA-N 2 1 272.436 3.664 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000124255603 1125436398 /nfs/dbraw/zinc/43/63/98/1125436398.db2.gz JLFDCQDWGFJYBS-KRWDZBQOSA-N 2 1 299.462 3.843 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000124255603 1125436401 /nfs/dbraw/zinc/43/64/01/1125436401.db2.gz JLFDCQDWGFJYBS-KRWDZBQOSA-N 2 1 299.462 3.843 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1ccccc1Cl ZINC000164132556 1129206483 /nfs/dbraw/zinc/20/64/83/1129206483.db2.gz NYNYTTYICSMAJP-BBRMVZONSA-N 2 1 294.870 3.547 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000164651246 1129209642 /nfs/dbraw/zinc/20/96/42/1129209642.db2.gz MMDAXSOHEAVNOB-ZDUSSCGKSA-N 2 1 291.826 3.976 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CS[C@@H](C)C2)c1 ZINC000638434736 1129258345 /nfs/dbraw/zinc/25/83/45/1129258345.db2.gz PNXRKIOJZQTWJW-WMLDXEAASA-N 2 1 292.492 3.510 20 0 CHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000037786421 1129270582 /nfs/dbraw/zinc/27/05/82/1129270582.db2.gz FNBZOZBQWHTOPS-UHFFFAOYSA-N 2 1 280.843 3.693 20 0 CHADMP CC(C)[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1cccc(F)c1 ZINC000348084239 1129279755 /nfs/dbraw/zinc/27/97/55/1129279755.db2.gz WACWSMODLXLFLV-QGZVFWFLSA-N 2 1 278.415 3.520 20 0 CHADMP CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000348084800 1129280476 /nfs/dbraw/zinc/28/04/76/1129280476.db2.gz LZUOOJWIXHJZJG-ZBFHGGJFSA-N 2 1 287.382 3.598 20 0 CHADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3[C@@H]4CCC[C@@H]43)CC[N@H+]2C2CC2)cc1 ZINC000639326347 1129302692 /nfs/dbraw/zinc/30/26/92/1129302692.db2.gz ZEHHQIPUQMJOEU-UVBQOVKKSA-N 2 1 296.458 3.743 20 0 CHADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3[C@@H]4CCC[C@@H]43)CC[N@@H+]2C2CC2)cc1 ZINC000639326347 1129302695 /nfs/dbraw/zinc/30/26/95/1129302695.db2.gz ZEHHQIPUQMJOEU-UVBQOVKKSA-N 2 1 296.458 3.743 20 0 CHADMP CC[C@](C)([NH2+]CCCn1cc[nH+]c1C)c1ccc(F)cc1 ZINC000639929885 1129341271 /nfs/dbraw/zinc/34/12/71/1129341271.db2.gz XZPOVBYOMHASGM-KRWDZBQOSA-N 2 1 289.398 3.636 20 0 CHADMP C[C@H](CC[N@H+]1CCC2(CCC2)C1)[NH+]1CCC2(CCC2)C1 ZINC000178316833 1129342289 /nfs/dbraw/zinc/34/22/89/1129342289.db2.gz ZMIMEQWQDGIMQS-MRXNPFEDSA-N 2 1 276.468 3.517 20 0 CHADMP C[C@H](CC[NH+]1CCC2(CCC2)C1)[N@@H+]1CCC2(CCC2)C1 ZINC000178316833 1129342291 /nfs/dbraw/zinc/34/22/91/1129342291.db2.gz ZMIMEQWQDGIMQS-MRXNPFEDSA-N 2 1 276.468 3.517 20 0 CHADMP C[C@H](CC[NH+]1CCC2(CCC2)C1)[N@H+]1CCC2(CCC2)C1 ZINC000178316833 1129342295 /nfs/dbraw/zinc/34/22/95/1129342295.db2.gz ZMIMEQWQDGIMQS-MRXNPFEDSA-N 2 1 276.468 3.517 20 0 CHADMP C[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C(F)F ZINC000641791556 1129392222 /nfs/dbraw/zinc/39/22/22/1129392222.db2.gz KIYWQYIEHPIMDQ-IUDNXUCKSA-N 2 1 296.405 3.673 20 0 CHADMP C[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C(F)F ZINC000641791558 1129392629 /nfs/dbraw/zinc/39/26/29/1129392629.db2.gz KIYWQYIEHPIMDQ-JEYLPNPQSA-N 2 1 296.405 3.673 20 0 CHADMP CC(C)=CCC[C@H](C)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000642630488 1129421995 /nfs/dbraw/zinc/42/19/95/1129421995.db2.gz GQWQDVALSWPYDE-RCCFBDPRSA-N 2 1 278.484 3.975 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643066103 1129427884 /nfs/dbraw/zinc/42/78/84/1129427884.db2.gz KFNCDKNYBDIHIC-OGWOLHLISA-N 2 1 280.415 3.585 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643066103 1129427886 /nfs/dbraw/zinc/42/78/86/1129427886.db2.gz KFNCDKNYBDIHIC-OGWOLHLISA-N 2 1 280.415 3.585 20 0 CHADMP CC(C)[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000643529328 1129444792 /nfs/dbraw/zinc/44/47/92/1129444792.db2.gz YRTDZLGKAWNGBL-RNCFNFMXSA-N 2 1 275.223 3.627 20 0 CHADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1CCC(C)(C)C1 ZINC001258598471 1129455081 /nfs/dbraw/zinc/45/50/81/1129455081.db2.gz HLTNIRILNWHCLV-WBVHZDCISA-N 2 1 274.452 3.662 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]CCC2CCCC2)C[C@H]1c1ccccc1 ZINC000645384101 1129495928 /nfs/dbraw/zinc/49/59/28/1129495928.db2.gz JUWQDGYPJCGHMO-OALUTQOASA-N 2 1 286.463 3.992 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CCC2CCCC2)C[C@H]1c1ccccc1 ZINC000645384101 1129495929 /nfs/dbraw/zinc/49/59/29/1129495929.db2.gz JUWQDGYPJCGHMO-OALUTQOASA-N 2 1 286.463 3.992 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+](CC2=CCCC2)CC1 ZINC000645778729 1129505728 /nfs/dbraw/zinc/50/57/28/1129505728.db2.gz XIEPLPYAPSVSBW-UHFFFAOYSA-N 2 1 264.457 3.541 20 0 CHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC1=CCCC1 ZINC000645845175 1129508982 /nfs/dbraw/zinc/50/89/82/1129508982.db2.gz PBHFHKPJOWKVPH-UHFFFAOYSA-N 2 1 299.462 3.730 20 0 CHADMP C[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000647175484 1129554152 /nfs/dbraw/zinc/55/41/52/1129554152.db2.gz RXRUMKVFKPAYGG-QFBILLFUSA-N 2 1 298.474 3.819 20 0 CHADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000647175484 1129554154 /nfs/dbraw/zinc/55/41/54/1129554154.db2.gz RXRUMKVFKPAYGG-QFBILLFUSA-N 2 1 298.474 3.819 20 0 CHADMP CC[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)o2)CC[C@@H]1[NH3+] ZINC000647497865 1129580075 /nfs/dbraw/zinc/58/00/75/1129580075.db2.gz YJUSKTJZPKYKIZ-YOEHRIQHSA-N 2 1 284.403 3.506 20 0 CHADMP CC[C@@H]1C[N@@H+](Cc2cc3cc(C)c(C)cc3o2)CC[C@H]1[NH3+] ZINC000647498328 1129580271 /nfs/dbraw/zinc/58/02/71/1129580271.db2.gz FMGZIRXGCAAAGJ-RHSMWYFYSA-N 2 1 286.419 3.609 20 0 CHADMP Clc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647543223 1129580976 /nfs/dbraw/zinc/58/09/76/1129580976.db2.gz JQVZKISHFQNFTH-QWHCGFSZSA-N 2 1 298.883 3.613 20 0 CHADMP Clc1cscc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544375 1129581017 /nfs/dbraw/zinc/58/10/17/1129581017.db2.gz ZOOAHPGAYKYUHG-STQMWFEESA-N 2 1 298.883 3.613 20 0 CHADMP C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000647874762 1129586260 /nfs/dbraw/zinc/58/62/60/1129586260.db2.gz WBLZCGCZVDBJKT-HKUYNNGSSA-N 2 1 294.442 3.859 20 0 CHADMP C[C@H]1c2ccc(F)cc2CC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647886791 1129587382 /nfs/dbraw/zinc/58/73/82/1129587382.db2.gz WKIVXCXRFPOCNP-AWEZNQCLSA-N 2 1 290.426 3.525 20 0 CHADMP CC(C)C[C@@H](Cc1ccccc1)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001169060239 1129693856 /nfs/dbraw/zinc/69/38/56/1129693856.db2.gz XLJGOGHQOVIGRQ-ACBHZAAOSA-N 2 1 288.479 3.846 20 0 CHADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(C)cc1 ZINC001169099324 1129696416 /nfs/dbraw/zinc/69/64/16/1129696416.db2.gz PTUGUJFWLZWPPQ-XMTFNYHQSA-N 2 1 272.436 3.661 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCCC[C@H]1c1ccccc1)C2 ZINC001169098152 1129696749 /nfs/dbraw/zinc/69/67/49/1129696749.db2.gz GDSAVDKIWCYNNN-UHZRXMQZSA-N 2 1 298.474 3.928 20 0 CHADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)c(F)c1 ZINC001169097843 1129696934 /nfs/dbraw/zinc/69/69/34/1129696934.db2.gz CMNUBZBPLYLCBZ-RUZUBIRVSA-N 2 1 296.817 3.755 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1ccccc1)C1CCC1)C2 ZINC001169100700 1129697209 /nfs/dbraw/zinc/69/72/09/1129697209.db2.gz LJOSMLHTMXMSHG-RDGPPVDQSA-N 2 1 284.447 3.743 20 0 CHADMP CCC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC001169101262 1129697255 /nfs/dbraw/zinc/69/72/55/1129697255.db2.gz PYSUKLJCUVKTSX-ZJPYXAASSA-N 2 1 290.426 3.882 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)C2 ZINC001169119899 1129699959 /nfs/dbraw/zinc/69/99/59/1129699959.db2.gz YFMJJFVKZPDMJB-XCDZQEORSA-N 2 1 284.447 3.538 20 0 CHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](Cc1ccccc1)C(C)(C)C)C2 ZINC001169123425 1129700487 /nfs/dbraw/zinc/70/04/87/1129700487.db2.gz LKIVLGRARMKIFO-BCDXTJNWSA-N 2 1 286.463 3.912 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](Cc1ccccc1)C(C)(C)C)C2 ZINC001169123425 1129700489 /nfs/dbraw/zinc/70/04/89/1129700489.db2.gz LKIVLGRARMKIFO-BCDXTJNWSA-N 2 1 286.463 3.912 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+](Cc1ccccc1)C(C)(C)C)C2 ZINC001169123425 1129700492 /nfs/dbraw/zinc/70/04/92/1129700492.db2.gz LKIVLGRARMKIFO-BCDXTJNWSA-N 2 1 286.463 3.912 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+](Cc1ccccc1)C(C)(C)C)C2 ZINC001169123425 1129700494 /nfs/dbraw/zinc/70/04/94/1129700494.db2.gz LKIVLGRARMKIFO-BCDXTJNWSA-N 2 1 286.463 3.912 20 0 CHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H]1c1cccs1)C2 ZINC001169139943 1129700552 /nfs/dbraw/zinc/70/05/52/1129700552.db2.gz GJEIZDZTDOBZQW-XGUBFFRZSA-N 2 1 276.449 3.510 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H]1c1cccs1)C2 ZINC001169139943 1129700555 /nfs/dbraw/zinc/70/05/55/1129700555.db2.gz GJEIZDZTDOBZQW-XGUBFFRZSA-N 2 1 276.449 3.510 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H]1c1cccs1)C2 ZINC001169139943 1129700556 /nfs/dbraw/zinc/70/05/56/1129700556.db2.gz GJEIZDZTDOBZQW-XGUBFFRZSA-N 2 1 276.449 3.510 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@H]1c1cccs1)C2 ZINC001169139943 1129700558 /nfs/dbraw/zinc/70/05/58/1129700558.db2.gz GJEIZDZTDOBZQW-XGUBFFRZSA-N 2 1 276.449 3.510 20 0 CHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H]1c1cccs1)C2 ZINC001169139941 1129700907 /nfs/dbraw/zinc/70/09/07/1129700907.db2.gz GJEIZDZTDOBZQW-LXTVHRRPSA-N 2 1 276.449 3.510 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H]1c1cccs1)C2 ZINC001169139941 1129700910 /nfs/dbraw/zinc/70/09/10/1129700910.db2.gz GJEIZDZTDOBZQW-LXTVHRRPSA-N 2 1 276.449 3.510 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H]1c1cccs1)C2 ZINC001169139941 1129700913 /nfs/dbraw/zinc/70/09/13/1129700913.db2.gz GJEIZDZTDOBZQW-LXTVHRRPSA-N 2 1 276.449 3.510 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H]1c1cccs1)C2 ZINC001169139941 1129700916 /nfs/dbraw/zinc/70/09/16/1129700916.db2.gz GJEIZDZTDOBZQW-LXTVHRRPSA-N 2 1 276.449 3.510 20 0 CHADMP Cc1cccc([C@@H]2CCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169125878 1129701267 /nfs/dbraw/zinc/70/12/67/1129701267.db2.gz MVVPXUCUUYNIJJ-MANSERQUSA-N 2 1 284.447 3.757 20 0 CHADMP Cc1cccc([C@@H]2CCC[N@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169125878 1129701268 /nfs/dbraw/zinc/70/12/68/1129701268.db2.gz MVVPXUCUUYNIJJ-MANSERQUSA-N 2 1 284.447 3.757 20 0 CHADMP Cc1cccc([C@@H]2CCC[N@@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169125878 1129701271 /nfs/dbraw/zinc/70/12/71/1129701271.db2.gz MVVPXUCUUYNIJJ-MANSERQUSA-N 2 1 284.447 3.757 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC[C@H]1c1ccccc1)C2 ZINC001169126991 1129701329 /nfs/dbraw/zinc/70/13/29/1129701329.db2.gz ZADHYUNSGHMKMF-RDGPPVDQSA-N 2 1 284.447 3.839 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCC[C@H]1c1ccccc1)C2 ZINC001169126991 1129701331 /nfs/dbraw/zinc/70/13/31/1129701331.db2.gz ZADHYUNSGHMKMF-RDGPPVDQSA-N 2 1 284.447 3.839 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCC[C@H]1c1ccccc1)C2 ZINC001169126991 1129701333 /nfs/dbraw/zinc/70/13/33/1129701333.db2.gz ZADHYUNSGHMKMF-RDGPPVDQSA-N 2 1 284.447 3.839 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H](C)C1CCCCC1 ZINC001169942028 1129766049 /nfs/dbraw/zinc/76/60/49/1129766049.db2.gz JNXQYRGSTJLDON-HNNXBMFYSA-N 2 1 254.462 3.619 20 0 CHADMP Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169109182 1129703207 /nfs/dbraw/zinc/70/32/07/1129703207.db2.gz ZURQRURSHZPYQE-NRSFXHEJSA-N 2 1 272.436 3.579 20 0 CHADMP CCCC1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169108864 1129703496 /nfs/dbraw/zinc/70/34/96/1129703496.db2.gz DJYYQHQSKDRCPY-BOXKHOIUSA-N 2 1 264.457 3.560 20 0 CHADMP Cc1cc[nH+]c(C)c1N[C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169150071 1129705281 /nfs/dbraw/zinc/70/52/81/1129705281.db2.gz AQFILPAEIKYAOQ-RHSMWYFYSA-N 2 1 275.440 3.654 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1C1CCCCC1)C2 ZINC001169153663 1129705376 /nfs/dbraw/zinc/70/53/76/1129705376.db2.gz KXKUQOPECWEXQY-VSZNYVQBSA-N 2 1 276.468 3.656 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]1C1CCCCC1)C2 ZINC001169153663 1129705380 /nfs/dbraw/zinc/70/53/80/1129705380.db2.gz KXKUQOPECWEXQY-VSZNYVQBSA-N 2 1 276.468 3.656 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]1C1CCCCC1)C2 ZINC001169153663 1129705383 /nfs/dbraw/zinc/70/53/83/1129705383.db2.gz KXKUQOPECWEXQY-VSZNYVQBSA-N 2 1 276.468 3.656 20 0 CHADMP CCc1ccc2ccccc2c1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC001169177542 1129707351 /nfs/dbraw/zinc/70/73/51/1129707351.db2.gz LLADJUCRWMNQII-MRXNPFEDSA-N 2 1 296.458 3.786 20 0 CHADMP CCC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1cccc(F)c1 ZINC001169229597 1129710470 /nfs/dbraw/zinc/71/04/70/1129710470.db2.gz DDJHNMAIYVIPND-QGZVFWFLSA-N 2 1 278.415 3.741 20 0 CHADMP CC[NH+]1CCC([N@H+](C(C)C)[C@@H](C)c2ccccc2)CC1 ZINC001169263652 1129711367 /nfs/dbraw/zinc/71/13/67/1129711367.db2.gz DBCKASHEQBXQLJ-INIZCTEOSA-N 2 1 274.452 3.942 20 0 CHADMP CC[NH+]1CCC([N@@H+](C(C)C)[C@@H](C)c2ccccc2)CC1 ZINC001169263652 1129711369 /nfs/dbraw/zinc/71/13/69/1129711369.db2.gz DBCKASHEQBXQLJ-INIZCTEOSA-N 2 1 274.452 3.942 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1c(C)cc[nH+]c1C ZINC001169690348 1129746499 /nfs/dbraw/zinc/74/64/99/1129746499.db2.gz KUEBGTDSQKMAKQ-MRXNPFEDSA-N 2 1 281.403 3.939 20 0 CHADMP CC(C)C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000652135271 1129758224 /nfs/dbraw/zinc/75/82/24/1129758224.db2.gz LPAFNIKLUUZFGA-QGZVFWFLSA-N 2 1 278.415 3.597 20 0 CHADMP CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001258789117 1129758944 /nfs/dbraw/zinc/75/89/44/1129758944.db2.gz VWRDCMHZEQLDQE-YVSFHVDLSA-N 2 1 268.489 3.910 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+]C3(C4CCC4)CC3)CC2)cc1 ZINC000652271106 1129761631 /nfs/dbraw/zinc/76/16/31/1129761631.db2.gz AHGAOFWQWXUBGJ-UHFFFAOYSA-N 2 1 284.447 3.573 20 0 CHADMP CC[C@@H](C)C[C@@H](CC)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001258798386 1129777233 /nfs/dbraw/zinc/77/72/33/1129777233.db2.gz SREKUMNHXGRZBW-HZPDHXFCSA-N 2 1 266.473 3.619 20 0 CHADMP Cc1ccc(C2=CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000767360981 1129788496 /nfs/dbraw/zinc/78/84/96/1129788496.db2.gz LUOJLBDLLOJVNJ-LJQANCHMSA-N 2 1 284.447 3.568 20 0 CHADMP Cc1ccc(C2=CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000767360981 1129788500 /nfs/dbraw/zinc/78/85/00/1129788500.db2.gz LUOJLBDLLOJVNJ-LJQANCHMSA-N 2 1 284.447 3.568 20 0 CHADMP Cc1ccc(C2=CC[N@H+](CC[C@H]3CCC[NH+]3C)CC2)cc1 ZINC000767360981 1129788505 /nfs/dbraw/zinc/78/85/05/1129788505.db2.gz LUOJLBDLLOJVNJ-LJQANCHMSA-N 2 1 284.447 3.568 20 0 CHADMP Cc1ccc(C2=CC[N@@H+](CC[C@H]3CCC[NH+]3C)CC2)cc1 ZINC000767360981 1129788508 /nfs/dbraw/zinc/78/85/08/1129788508.db2.gz LUOJLBDLLOJVNJ-LJQANCHMSA-N 2 1 284.447 3.568 20 0 CHADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000086907824 1129826521 /nfs/dbraw/zinc/82/65/21/1129826521.db2.gz LJKZRCOUYOIWBA-LSDHHAIUSA-N 2 1 254.462 3.665 20 0 CHADMP CCc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)ccc1Cl ZINC001206026663 1129827871 /nfs/dbraw/zinc/82/78/71/1129827871.db2.gz TYIZMMDAZRDKIO-BBRMVZONSA-N 2 1 294.870 3.709 20 0 CHADMP CCc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)ccc1Cl ZINC001206026682 1129830548 /nfs/dbraw/zinc/83/05/48/1129830548.db2.gz TYIZMMDAZRDKIO-CZUORRHYSA-N 2 1 294.870 3.709 20 0 CHADMP CC[C@@H](C[NH2+]CC[N@@H+]1CCCC1(C)C)c1ccccc1 ZINC001202789376 1129842555 /nfs/dbraw/zinc/84/25/55/1129842555.db2.gz FEXQYDKSLAQIQN-INIZCTEOSA-N 2 1 274.452 3.644 20 0 CHADMP CC[C@@H](C[NH2+]CC[N@H+]1CCCC1(C)C)c1ccccc1 ZINC001202789376 1129842558 /nfs/dbraw/zinc/84/25/58/1129842558.db2.gz FEXQYDKSLAQIQN-INIZCTEOSA-N 2 1 274.452 3.644 20 0 CHADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](CC4CCC4)CC[C@H]3C2)cc1 ZINC001202792029 1129844488 /nfs/dbraw/zinc/84/44/88/1129844488.db2.gz HWZAWQBTTKKUPO-PMACEKPBSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CC4CCC4)CC[C@H]3C2)cc1 ZINC001202792029 1129844492 /nfs/dbraw/zinc/84/44/92/1129844492.db2.gz HWZAWQBTTKKUPO-PMACEKPBSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CC4CCC4)CC[C@H]3C2)cc1 ZINC001202792029 1129844498 /nfs/dbraw/zinc/84/44/98/1129844498.db2.gz HWZAWQBTTKKUPO-PMACEKPBSA-N 2 1 298.474 3.631 20 0 CHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC2CCCCC2)cc1 ZINC000768237560 1129846966 /nfs/dbraw/zinc/84/69/66/1129846966.db2.gz PZPRGHBMZMSBEH-UHFFFAOYSA-N 2 1 274.452 3.760 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(C)oc2C)CC1 ZINC000768304073 1129851531 /nfs/dbraw/zinc/85/15/31/1129851531.db2.gz RWNHOZHXDQLCBM-UHFFFAOYSA-N 2 1 292.467 3.840 20 0 CHADMP Cc1ccc(F)cc1C[NH2+]CCC[NH+](C(C)C)C(C)C ZINC001461276578 1129909547 /nfs/dbraw/zinc/90/95/47/1129909547.db2.gz OOBXLJQQGRQBBX-UHFFFAOYSA-N 2 1 280.431 3.733 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C(C)(C)C)s2)[C@@H](C)C1 ZINC000769929135 1129933239 /nfs/dbraw/zinc/93/32/39/1129933239.db2.gz VTYVGKNDXJWWEO-DZGCQCFKSA-N 2 1 294.508 3.866 20 0 CHADMP [NH3+]CCCC[C@H]([NH2+]Cc1ccco1)c1ccc(F)cc1F ZINC000902319570 1130000247 /nfs/dbraw/zinc/00/02/47/1130000247.db2.gz UINRRMNUNJZYAX-INIZCTEOSA-N 2 1 294.345 3.518 20 0 CHADMP CC(C)c1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc1 ZINC001239626005 1130018922 /nfs/dbraw/zinc/01/89/22/1130018922.db2.gz FJWMHOQSWRHPOZ-UHFFFAOYSA-N 2 1 291.398 3.812 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1C ZINC001206565468 1130056090 /nfs/dbraw/zinc/05/60/90/1130056090.db2.gz TVLAUTOLKKOIMZ-GOSISDBHSA-N 2 1 274.452 3.563 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903066899 1130108015 /nfs/dbraw/zinc/10/80/15/1130108015.db2.gz MLLGUYSPPGMTSI-LHCMDFTLSA-N 2 1 276.468 3.703 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)s1 ZINC000903076405 1130108392 /nfs/dbraw/zinc/10/83/92/1130108392.db2.gz PIWJGWVGKFAOIW-WPXLMEDKSA-N 2 1 290.476 3.865 20 0 CHADMP Clc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)s1 ZINC000903083023 1130109723 /nfs/dbraw/zinc/10/97/23/1130109723.db2.gz YXFLCHVQLMXFAU-VGPLMAKISA-N 2 1 296.867 3.649 20 0 CHADMP Clc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)s1 ZINC000903083023 1130109725 /nfs/dbraw/zinc/10/97/25/1130109725.db2.gz YXFLCHVQLMXFAU-VGPLMAKISA-N 2 1 296.867 3.649 20 0 CHADMP C[C@H]1CCCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903079342 1130109911 /nfs/dbraw/zinc/10/99/11/1130109911.db2.gz MJHLRZIHPFOGOM-LSLVUIDQSA-N 2 1 276.468 3.560 20 0 CHADMP CC[C@@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903089576 1130110417 /nfs/dbraw/zinc/11/04/17/1130110417.db2.gz RCWIDVGSNYUUGN-KOQQBVACSA-N 2 1 298.474 3.755 20 0 CHADMP CC[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903099588 1130111652 /nfs/dbraw/zinc/11/16/52/1130111652.db2.gz JULFUOUYBQMJKS-PETKQJPQSA-N 2 1 276.468 3.703 20 0 CHADMP CC1(C)CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903159183 1130120173 /nfs/dbraw/zinc/12/01/73/1130120173.db2.gz WLDKRTHKLXPIPK-YTTRVJOFSA-N 2 1 276.468 3.703 20 0 CHADMP CC(C)(C)C1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903175875 1130124862 /nfs/dbraw/zinc/12/48/62/1130124862.db2.gz WSSJTZWLMWCHQE-XZEDPRPASA-N 2 1 276.468 3.559 20 0 CHADMP Cc1ccccc1[C@@H]1C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903195441 1130127871 /nfs/dbraw/zinc/12/78/71/1130127871.db2.gz YFPAZKNDSLAWIF-KFEZLTSHSA-N 2 1 296.458 3.598 20 0 CHADMP CCC(C)(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903210429 1130131400 /nfs/dbraw/zinc/13/14/00/1130131400.db2.gz XSBLDAXLHYVEJX-VHRNVKJDSA-N 2 1 264.457 3.560 20 0 CHADMP CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001170071462 1130142701 /nfs/dbraw/zinc/14/27/01/1130142701.db2.gz OTQJGROAESMUIX-JKSUJKDBSA-N 2 1 266.473 3.808 20 0 CHADMP CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001170071462 1130142703 /nfs/dbraw/zinc/14/27/03/1130142703.db2.gz OTQJGROAESMUIX-JKSUJKDBSA-N 2 1 266.473 3.808 20 0 CHADMP C[C@H](CC1CCCC1)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903378060 1130167708 /nfs/dbraw/zinc/16/77/08/1130167708.db2.gz BCNOXBOCVBYSOY-CRAIPNDOSA-N 2 1 289.467 3.633 20 0 CHADMP CCSc1ccccc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000903421405 1130174119 /nfs/dbraw/zinc/17/41/19/1130174119.db2.gz NXBOGEFRVJSLKL-UHFFFAOYSA-N 2 1 290.476 3.515 20 0 CHADMP CCSc1ccccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000903421405 1130174123 /nfs/dbraw/zinc/17/41/23/1130174123.db2.gz NXBOGEFRVJSLKL-UHFFFAOYSA-N 2 1 290.476 3.515 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2)[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001170085029 1130189110 /nfs/dbraw/zinc/18/91/10/1130189110.db2.gz FHSOIUSORKSOPF-IEBWSBKVSA-N 2 1 286.463 3.946 20 0 CHADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCc1cccc3ccccc31)C2 ZINC000903843738 1130205338 /nfs/dbraw/zinc/20/53/38/1130205338.db2.gz ROBZPDAIUZRKSG-IPELMVKDSA-N 2 1 294.442 3.584 20 0 CHADMP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000903889983 1130208078 /nfs/dbraw/zinc/20/80/78/1130208078.db2.gz XCUDRAKLLCUUTK-BZUAXINKSA-N 2 1 296.405 3.627 20 0 CHADMP CCc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)ccc1Cl ZINC001206574592 1130262320 /nfs/dbraw/zinc/26/23/20/1130262320.db2.gz RWHQMEPSEADZGO-KRWDZBQOSA-N 2 1 294.870 3.853 20 0 CHADMP C[C@@H]1CC[C@@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170116319 1130273004 /nfs/dbraw/zinc/27/30/04/1130273004.db2.gz DSKGSWHVLXMHJW-KLHDSHLOSA-N 2 1 266.473 3.793 20 0 CHADMP C[C@H]1CC[C@H]([NH2+]C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001170120478 1130278209 /nfs/dbraw/zinc/27/82/09/1130278209.db2.gz HSZKNJVTTXTNFU-WMZOPIPTSA-N 2 1 286.463 3.819 20 0 CHADMP Cc1[nH+]c(N)ccc1-c1ccc(C[NH2+]C(C)(C)C)cc1 ZINC001240376600 1130283442 /nfs/dbraw/zinc/28/34/42/1130283442.db2.gz ZAZCFRHUZFOJNN-UHFFFAOYSA-N 2 1 269.392 3.527 20 0 CHADMP C(C[NH+]1CCC[C@@H](C2CC2)C1)C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000677056885 1130285083 /nfs/dbraw/zinc/28/50/83/1130285083.db2.gz KOTPVLVEXKUJFK-KDURUIRLSA-N 2 1 290.495 3.621 20 0 CHADMP C(C[NH+]1CCC[C@H](C2CC2)C1)C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000677056885 1130285084 /nfs/dbraw/zinc/28/50/84/1130285084.db2.gz KOTPVLVEXKUJFK-KDURUIRLSA-N 2 1 290.495 3.621 20 0 CHADMP C(C[NH+]1CCC[C@H](C2CC2)C1)C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000677056885 1130285089 /nfs/dbraw/zinc/28/50/89/1130285089.db2.gz KOTPVLVEXKUJFK-KDURUIRLSA-N 2 1 290.495 3.621 20 0 CHADMP CC(C)(CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000677237613 1130296130 /nfs/dbraw/zinc/29/61/30/1130296130.db2.gz KKXXYXPIURJNBY-QZTJIDSGSA-N 2 1 286.463 3.571 20 0 CHADMP CC(C)(CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000677237614 1130297210 /nfs/dbraw/zinc/29/72/10/1130297210.db2.gz KKXXYXPIURJNBY-ROUUACIJSA-N 2 1 286.463 3.571 20 0 CHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]([C@@H]4CC[C@H](C)C4)C[C@@H]3C2)cc1 ZINC001170138523 1130318284 /nfs/dbraw/zinc/31/82/84/1130318284.db2.gz QRTYMXDAYLSHDY-IJXRJRJASA-N 2 1 298.474 3.547 20 0 CHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]([C@@H]4CC[C@H](C)C4)C[C@@H]3C2)cc1 ZINC001170138523 1130318291 /nfs/dbraw/zinc/31/82/91/1130318291.db2.gz QRTYMXDAYLSHDY-IJXRJRJASA-N 2 1 298.474 3.547 20 0 CHADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]([C@@H]4CC[C@H](C)C4)C[C@@H]3C2)cc1 ZINC001170138523 1130318298 /nfs/dbraw/zinc/31/82/98/1130318298.db2.gz QRTYMXDAYLSHDY-IJXRJRJASA-N 2 1 298.474 3.547 20 0 CHADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@@H]4CC[C@H](C)C4)C[C@@H]3C2)cc1 ZINC001170138523 1130318305 /nfs/dbraw/zinc/31/83/05/1130318305.db2.gz QRTYMXDAYLSHDY-IJXRJRJASA-N 2 1 298.474 3.547 20 0 CHADMP CCCC[N@H+](CCn1cc[nH+]c1C)[C@@H](C)c1ccc(C)o1 ZINC000677981493 1130340512 /nfs/dbraw/zinc/34/05/12/1130340512.db2.gz FCLOPRHPTUVYDW-HNNXBMFYSA-N 2 1 289.423 3.956 20 0 CHADMP CCCC[N@@H+](CCn1cc[nH+]c1C)[C@@H](C)c1ccc(C)o1 ZINC000677981493 1130340518 /nfs/dbraw/zinc/34/05/18/1130340518.db2.gz FCLOPRHPTUVYDW-HNNXBMFYSA-N 2 1 289.423 3.956 20 0 CHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2C2CC2)C1 ZINC000678285475 1130393143 /nfs/dbraw/zinc/39/31/43/1130393143.db2.gz GDRZALNGBSMCTO-KRWDZBQOSA-N 2 1 298.474 3.728 20 0 CHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccccc2C2CC2)C1 ZINC000678285475 1130393149 /nfs/dbraw/zinc/39/31/49/1130393149.db2.gz GDRZALNGBSMCTO-KRWDZBQOSA-N 2 1 298.474 3.728 20 0 CHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000678285475 1130393153 /nfs/dbraw/zinc/39/31/53/1130393153.db2.gz GDRZALNGBSMCTO-KRWDZBQOSA-N 2 1 298.474 3.728 20 0 CHADMP C[C@H](Cc1ccccc1Cl)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001170285579 1130479260 /nfs/dbraw/zinc/47/92/60/1130479260.db2.gz SJXAIHAXMYWPSH-CQSZACIVSA-N 2 1 294.870 3.545 20 0 CHADMP CC(C)[N@@H+](CCCCc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC001206579961 1130490842 /nfs/dbraw/zinc/49/08/42/1130490842.db2.gz BPXLWCMVMPTLNO-IBGZPJMESA-N 2 1 288.479 3.862 20 0 CHADMP CCC[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000679394868 1130527377 /nfs/dbraw/zinc/52/73/77/1130527377.db2.gz PASCJJXZJWOZTR-DSLXNQLJSA-N 2 1 286.463 3.960 20 0 CHADMP CC(C)[N@@H+](Cc1cccc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206580945 1130545979 /nfs/dbraw/zinc/54/59/79/1130545979.db2.gz GNZFMNGOABKBNC-MRXNPFEDSA-N 2 1 280.843 3.693 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cc(C)cc(C)[nH+]1 ZINC001158730719 1130615923 /nfs/dbraw/zinc/61/59/23/1130615923.db2.gz WUSRSCDUBGOLTC-MRXNPFEDSA-N 2 1 281.403 3.939 20 0 CHADMP CC1=C[C@H](C)C[C@H](C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)C1 ZINC000811500557 1130617662 /nfs/dbraw/zinc/61/76/62/1130617662.db2.gz GUWNBSZZXSNNFK-WMZOPIPTSA-N 2 1 290.495 3.787 20 0 CHADMP CC(C)CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001256366975 1130625137 /nfs/dbraw/zinc/62/51/37/1130625137.db2.gz USMNQGPPZMABPE-HRCADAONSA-N 2 1 254.462 3.520 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234994226 1130700477 /nfs/dbraw/zinc/70/04/77/1130700477.db2.gz QIHIQJLUMKZUEK-QZTJIDSGSA-N 2 1 278.484 3.835 20 0 CHADMP Fc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c2ccccc12 ZINC001234992251 1130701537 /nfs/dbraw/zinc/70/15/37/1130701537.db2.gz HZTGOWGVEWCROU-IBGZPJMESA-N 2 1 298.405 3.554 20 0 CHADMP CC(C)=CCCC1=CC[C@H](C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001235004938 1130703733 /nfs/dbraw/zinc/70/37/33/1130703733.db2.gz DDFJKSTVJZDXPU-GBESFXJTSA-N 2 1 288.479 3.753 20 0 CHADMP Cc1ccc(Cl)cc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235038978 1130704049 /nfs/dbraw/zinc/70/40/49/1130704049.db2.gz LVSXPAIWWORHHQ-KRWDZBQOSA-N 2 1 292.854 3.757 20 0 CHADMP Cc1ccc(Cl)cc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235038978 1130704053 /nfs/dbraw/zinc/70/40/53/1130704053.db2.gz LVSXPAIWWORHHQ-KRWDZBQOSA-N 2 1 292.854 3.757 20 0 CHADMP CC1(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)CCCCC1 ZINC001235042177 1130704608 /nfs/dbraw/zinc/70/46/08/1130704608.db2.gz VFFFEIUIQULDGE-QGZVFWFLSA-N 2 1 264.457 3.565 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c(C)c1 ZINC001235040314 1130704693 /nfs/dbraw/zinc/70/46/93/1130704693.db2.gz KJCBWQHAZAMDBG-LJQANCHMSA-N 2 1 286.463 3.720 20 0 CHADMP Cc1ccc([C@@H](C)CC[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)o1 ZINC001235041889 1130705185 /nfs/dbraw/zinc/70/51/85/1130705185.db2.gz UPJVQLRBCLVELX-MAUKXSAKSA-N 2 1 290.451 3.690 20 0 CHADMP Cc1cccc(Cl)c1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235048499 1130706799 /nfs/dbraw/zinc/70/67/99/1130706799.db2.gz YINJAKQMIQPPGD-QGZVFWFLSA-N 2 1 292.854 3.757 20 0 CHADMP Cc1cccc(Cl)c1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235048499 1130706804 /nfs/dbraw/zinc/70/68/04/1130706804.db2.gz YINJAKQMIQPPGD-QGZVFWFLSA-N 2 1 292.854 3.757 20 0 CHADMP c1c2ccccc2oc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235047847 1130707191 /nfs/dbraw/zinc/70/71/91/1130707191.db2.gz WWTZXSZTUCILJV-SFHVURJKSA-N 2 1 284.403 3.541 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235125215 1130713521 /nfs/dbraw/zinc/71/35/21/1130713521.db2.gz NQZXDADKKWDSBL-ZWKOTPCHSA-N 2 1 278.484 3.977 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235125215 1130713526 /nfs/dbraw/zinc/71/35/26/1130713526.db2.gz NQZXDADKKWDSBL-ZWKOTPCHSA-N 2 1 278.484 3.977 20 0 CHADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1C ZINC001235152592 1130714945 /nfs/dbraw/zinc/71/49/45/1130714945.db2.gz HJJSRWONURBTGK-LJQANCHMSA-N 2 1 286.463 3.658 20 0 CHADMP CC1(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CCCCC1 ZINC001235151642 1130715043 /nfs/dbraw/zinc/71/50/43/1130715043.db2.gz IUCZARVXPFOIMM-QGZVFWFLSA-N 2 1 278.484 3.811 20 0 CHADMP CCc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)s1 ZINC001235161472 1130715661 /nfs/dbraw/zinc/71/56/61/1130715661.db2.gz RUICBVMDCRZFJF-QGZVFWFLSA-N 2 1 292.492 3.665 20 0 CHADMP Cc1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)sc1C ZINC001235156319 1130716746 /nfs/dbraw/zinc/71/67/46/1130716746.db2.gz FZZLLYITLJPNAI-KRWDZBQOSA-N 2 1 292.492 3.719 20 0 CHADMP Cc1ccc([C@H](C)CC[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)o1 ZINC001235173040 1130718312 /nfs/dbraw/zinc/71/83/12/1130718312.db2.gz PCUJRNRJQSZYFO-QAPCUYQASA-N 2 1 290.451 3.690 20 0 CHADMP Cc1ccc([C@H](C)CC[N@H+]2CCCC[C@@]23CCC[NH2+]C3)o1 ZINC001235173040 1130718318 /nfs/dbraw/zinc/71/83/18/1130718318.db2.gz PCUJRNRJQSZYFO-QAPCUYQASA-N 2 1 290.451 3.690 20 0 CHADMP CSc1ccccc1C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235189576 1130720557 /nfs/dbraw/zinc/72/05/57/1130720557.db2.gz MOHQIPYWHRRKCN-UHFFFAOYSA-N 2 1 290.476 3.517 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc[nH]1 ZINC000781515911 1130723011 /nfs/dbraw/zinc/72/30/11/1130723011.db2.gz AVYONHUWZKGVCK-XYJFISCASA-N 2 1 297.446 3.718 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc[nH]1 ZINC000781515911 1130723015 /nfs/dbraw/zinc/72/30/15/1130723015.db2.gz AVYONHUWZKGVCK-XYJFISCASA-N 2 1 297.446 3.718 20 0 CHADMP c1cc(-c2cccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)c2)cs1 ZINC001235266910 1130730878 /nfs/dbraw/zinc/73/08/78/1130730878.db2.gz HQVYGZIODSNNLJ-SJLPKXTDSA-N 2 1 298.455 3.599 20 0 CHADMP CCC[C@H](C)C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235349213 1130735874 /nfs/dbraw/zinc/73/58/74/1130735874.db2.gz ODBDEYSXFDNWAF-QXAKKESOSA-N 2 1 286.463 3.502 20 0 CHADMP Cc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1C ZINC001235424827 1130741200 /nfs/dbraw/zinc/74/12/00/1130741200.db2.gz KHGKYJSHBXNDIJ-PKOBYXMFSA-N 2 1 286.463 3.515 20 0 CHADMP c1cc2cccc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2o1 ZINC001235429313 1130741299 /nfs/dbraw/zinc/74/12/99/1130741299.db2.gz SUBCCFBLNOGVPN-IAGOWNOFSA-N 2 1 298.430 3.644 20 0 CHADMP Cc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1C ZINC001235424826 1130741669 /nfs/dbraw/zinc/74/16/69/1130741669.db2.gz KHGKYJSHBXNDIJ-MJGOQNOKSA-N 2 1 286.463 3.515 20 0 CHADMP Cc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1C ZINC001235424824 1130741702 /nfs/dbraw/zinc/74/17/02/1130741702.db2.gz KHGKYJSHBXNDIJ-HKUYNNGSSA-N 2 1 286.463 3.515 20 0 CHADMP c1cc(C2CC2)ccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235427163 1130741956 /nfs/dbraw/zinc/74/19/56/1130741956.db2.gz NCGPYPKKZOEQKD-PMACEKPBSA-N 2 1 298.474 3.776 20 0 CHADMP Cc1ccccc1[C@@H]1CCC[N@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001235443392 1130745103 /nfs/dbraw/zinc/74/51/03/1130745103.db2.gz NDWXRFBUFGTUSU-IBGZPJMESA-N 2 1 298.474 3.912 20 0 CHADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C2CC2)CC1)CC1CC1 ZINC000782188312 1130759602 /nfs/dbraw/zinc/75/96/02/1130759602.db2.gz BVBAZXYUFRHBGH-OAHLLOKOSA-N 2 1 278.484 3.619 20 0 CHADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC001235672845 1130763768 /nfs/dbraw/zinc/76/37/68/1130763768.db2.gz IOGXCQBDFKJLAE-AEFFLSMTSA-N 2 1 288.479 3.659 20 0 CHADMP [NH3+]CCCCC[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC001235674073 1130765604 /nfs/dbraw/zinc/76/56/04/1130765604.db2.gz LFYYSKTXXKVJPU-HNNXBMFYSA-N 2 1 266.816 3.606 20 0 CHADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001235675874 1130765700 /nfs/dbraw/zinc/76/57/00/1130765700.db2.gz MSKQZEAERUPTGB-MRXNPFEDSA-N 2 1 280.415 3.524 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CCC[C@H](C[NH3+])C3)cc2)cc1 ZINC001235675158 1130765882 /nfs/dbraw/zinc/76/58/82/1130765882.db2.gz JYUYGZXFAIMQRE-GOSISDBHSA-N 2 1 294.442 3.833 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3CCC[C@H](C[NH3+])C3)cc2)c1 ZINC001235677118 1130765929 /nfs/dbraw/zinc/76/59/29/1130765929.db2.gz YLYACKINFIASGZ-GOSISDBHSA-N 2 1 294.442 3.833 20 0 CHADMP C[C@@H](C[N@H+]1CCC[C@H](C[NH3+])C1)c1cccc2ccccc21 ZINC001235675324 1130766645 /nfs/dbraw/zinc/76/66/45/1130766645.db2.gz VQKGUASDKMXFAQ-JKSUJKDBSA-N 2 1 282.431 3.614 20 0 CHADMP CC(C)c1ccc(CC[N@@H+](C)CCC2CC[NH2+]CC2)cc1 ZINC001235715186 1130771322 /nfs/dbraw/zinc/77/13/22/1130771322.db2.gz RKLRHQHTSAESPK-UHFFFAOYSA-N 2 1 288.479 3.674 20 0 CHADMP CC[N@@H+](Cc1cccc(C(C)(C)C)c1)C1CC[NH2+]CC1 ZINC001235762951 1130777988 /nfs/dbraw/zinc/77/79/88/1130777988.db2.gz XESSXFBXZSZQHG-UHFFFAOYSA-N 2 1 274.452 3.558 20 0 CHADMP Clc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)s1 ZINC001235839139 1130784541 /nfs/dbraw/zinc/78/45/41/1130784541.db2.gz KTFOEWNFIFGXOO-OLZOCXBDSA-N 2 1 298.883 3.928 20 0 CHADMP C[NH2+][C@@H]1CC[N@H+](C[C@H]2CC=C(CCC=C(C)C)CC2)C1 ZINC001235828237 1130785780 /nfs/dbraw/zinc/78/57/80/1130785780.db2.gz ADQQCQMTMKXTKZ-ZWKOTPCHSA-N 2 1 276.468 3.753 20 0 CHADMP C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CC=C(CCC=C(C)C)CC2)C1 ZINC001235828237 1130785784 /nfs/dbraw/zinc/78/57/84/1130785784.db2.gz ADQQCQMTMKXTKZ-ZWKOTPCHSA-N 2 1 276.468 3.753 20 0 CHADMP C[N@@H+](Cc1ccccc1Oc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC001235842643 1130786617 /nfs/dbraw/zinc/78/66/17/1130786617.db2.gz QNVAWRXKMPJQAN-INIZCTEOSA-N 2 1 296.414 3.520 20 0 CHADMP C[N@H+](Cc1ccccc1Oc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC001235842643 1130786626 /nfs/dbraw/zinc/78/66/26/1130786626.db2.gz QNVAWRXKMPJQAN-INIZCTEOSA-N 2 1 296.414 3.520 20 0 CHADMP CCCCCCc1ccc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)s1 ZINC001235840290 1130786797 /nfs/dbraw/zinc/78/67/97/1130786797.db2.gz HZRCJDNIYOZKPS-OAHLLOKOSA-N 2 1 294.508 3.912 20 0 CHADMP c1c(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)sc2c1CC[NH2+]C2 ZINC001235867428 1130790565 /nfs/dbraw/zinc/79/05/65/1130790565.db2.gz PTUDPGUPCQQUHH-XJKSGUPXSA-N 2 1 290.476 3.548 20 0 CHADMP CC1(C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)CC[NH2+]CC1 ZINC001235950148 1130815517 /nfs/dbraw/zinc/81/55/17/1130815517.db2.gz RTRXTCLMPPHLGX-OAHLLOKOSA-N 2 1 292.854 3.519 20 0 CHADMP CC[C@H](c1ccccc1)[N@H+](C)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235958840 1130816162 /nfs/dbraw/zinc/81/61/62/1130816162.db2.gz BCBVBXWRXBBUAZ-VNQPRFMTSA-N 2 1 296.405 3.560 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+](C)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235958840 1130816165 /nfs/dbraw/zinc/81/61/65/1130816165.db2.gz BCBVBXWRXBBUAZ-VNQPRFMTSA-N 2 1 296.405 3.560 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235958338 1130816936 /nfs/dbraw/zinc/81/69/36/1130816936.db2.gz ZSTHFXZGPPFAQQ-AWEZNQCLSA-N 2 1 288.460 3.641 20 0 CHADMP CC[C@@H](c1ccccc1)[N@@H+](C)CC[C@H]1CCCC[NH2+]1 ZINC001235960674 1130819123 /nfs/dbraw/zinc/81/91/23/1130819123.db2.gz WTYMWAJISIBTCF-SJORKVTESA-N 2 1 260.425 3.602 20 0 CHADMP CCC[C@H](C)C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235973796 1130821810 /nfs/dbraw/zinc/82/18/10/1130821810.db2.gz NGKWQMNOZXBIRF-INIZCTEOSA-N 2 1 286.463 3.560 20 0 CHADMP CC(C)CCC[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235976075 1130821942 /nfs/dbraw/zinc/82/19/42/1130821942.db2.gz ZRODIRVFHZBOLM-UHFFFAOYSA-N 2 1 286.463 3.560 20 0 CHADMP Cc1cccc(-c2ccc(C[N@@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)cc2)c1 ZINC001235994789 1130825949 /nfs/dbraw/zinc/82/59/49/1130825949.db2.gz UNNPEBPNYNETKT-VQTJNVASSA-N 2 1 292.426 3.585 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)cc2)c1 ZINC001235994789 1130825953 /nfs/dbraw/zinc/82/59/53/1130825953.db2.gz UNNPEBPNYNETKT-VQTJNVASSA-N 2 1 292.426 3.585 20 0 CHADMP CC[N@H+](Cc1ccccc1-c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236006979 1130829858 /nfs/dbraw/zinc/82/98/58/1130829858.db2.gz LTKNYMZNQOBIKG-IBGZPJMESA-N 2 1 294.442 3.928 20 0 CHADMP CC[N@@H+](Cc1ccccc1-c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236006979 1130829864 /nfs/dbraw/zinc/82/98/64/1130829864.db2.gz LTKNYMZNQOBIKG-IBGZPJMESA-N 2 1 294.442 3.928 20 0 CHADMP Clc1cc(Cl)cc(C[NH+]2CC3(C2)CCC[NH2+]CC3)c1 ZINC001236009402 1130832318 /nfs/dbraw/zinc/83/23/18/1130832318.db2.gz TUTYFPOQAYNDKV-UHFFFAOYSA-N 2 1 299.245 3.569 20 0 CHADMP c1cc2c(cc1C[N@H+]1CCC[C@H]1C1CCCCC1)CC[NH2+]C2 ZINC001236040405 1130836416 /nfs/dbraw/zinc/83/64/16/1130836416.db2.gz CDSADLUYCNCQBU-FQEVSTJZSA-N 2 1 298.474 3.877 20 0 CHADMP C[C@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001236046408 1130836778 /nfs/dbraw/zinc/83/67/78/1130836778.db2.gz GGPOLPFVGNTJHF-MAUKXSAKSA-N 2 1 280.415 3.523 20 0 CHADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001236046408 1130836782 /nfs/dbraw/zinc/83/67/82/1130836782.db2.gz GGPOLPFVGNTJHF-MAUKXSAKSA-N 2 1 280.415 3.523 20 0 CHADMP C[C@H](C[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2)c1cccc2ccccc21 ZINC001236058731 1130842701 /nfs/dbraw/zinc/84/27/01/1130842701.db2.gz ATSFHLZOZQHZQL-RYRKJORJSA-N 2 1 294.442 3.627 20 0 CHADMP C[C@H](C[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2)c1cccc2ccccc21 ZINC001236058731 1130842705 /nfs/dbraw/zinc/84/27/05/1130842705.db2.gz ATSFHLZOZQHZQL-RYRKJORJSA-N 2 1 294.442 3.627 20 0 CHADMP C[C@@H](C[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2)c1cccc2ccccc21 ZINC001236058729 1130843793 /nfs/dbraw/zinc/84/37/93/1130843793.db2.gz ATSFHLZOZQHZQL-BQFCYCMXSA-N 2 1 294.442 3.627 20 0 CHADMP C[C@@H](C[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2)c1cccc2ccccc21 ZINC001236058729 1130843796 /nfs/dbraw/zinc/84/37/96/1130843796.db2.gz ATSFHLZOZQHZQL-BQFCYCMXSA-N 2 1 294.442 3.627 20 0 CHADMP C[C@H]1Cc2ccccc2C[N@@H+]1CCC[NH2+]C1CCCCC1 ZINC001236072891 1130848888 /nfs/dbraw/zinc/84/88/88/1130848888.db2.gz XVQBLHVXGSMKNZ-INIZCTEOSA-N 2 1 286.463 3.746 20 0 CHADMP C[C@H]1Cc2ccccc2C[N@H+]1CCC[NH2+]C1CCCCC1 ZINC001236072891 1130848891 /nfs/dbraw/zinc/84/88/91/1130848891.db2.gz XVQBLHVXGSMKNZ-INIZCTEOSA-N 2 1 286.463 3.746 20 0 CHADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+](C)CCCC[NH3+] ZINC001236143204 1130875993 /nfs/dbraw/zinc/87/59/93/1130875993.db2.gz TYBHJSOXXXDPDO-INIZCTEOSA-N 2 1 290.495 3.833 20 0 CHADMP CCC[N@@H+](Cc1cc(C)cc(SC)c1)C1CC[NH2+]CC1 ZINC001236184336 1130881129 /nfs/dbraw/zinc/88/11/29/1130881129.db2.gz ISZJBVYKOLQPLL-UHFFFAOYSA-N 2 1 292.492 3.681 20 0 CHADMP CCC[N@@H+](Cc1ccc(F)c(C2CC2)c1)C1CC[NH2+]CC1 ZINC001236184698 1130881314 /nfs/dbraw/zinc/88/13/14/1130881314.db2.gz LWWVOVYIXVWXNY-UHFFFAOYSA-N 2 1 290.426 3.667 20 0 CHADMP CCC[N@@H+](Cc1ccc(C)c(Cl)c1C)C1CC[NH2+]CC1 ZINC001236184802 1130881596 /nfs/dbraw/zinc/88/15/96/1130881596.db2.gz UXBCCOXGYWJCAP-UHFFFAOYSA-N 2 1 294.870 3.921 20 0 CHADMP C[N@@H+](CC[C@@H]1CCCC[NH2+]1)Cc1ccc2ccccc2c1 ZINC001236184446 1130881828 /nfs/dbraw/zinc/88/18/28/1130881828.db2.gz QVTRXUZMDZSKHX-IBGZPJMESA-N 2 1 282.431 3.804 20 0 CHADMP CCC[N@H+](Cc1ccc(Cl)c(C)c1F)C1CC[NH2+]CC1 ZINC001236184330 1130881887 /nfs/dbraw/zinc/88/18/87/1130881887.db2.gz INYVDVWDNIEHDB-UHFFFAOYSA-N 2 1 298.833 3.752 20 0 CHADMP CCC[N@@H+](Cc1ccc(Cl)c(C)c1F)C1CC[NH2+]CC1 ZINC001236184330 1130881891 /nfs/dbraw/zinc/88/18/91/1130881891.db2.gz INYVDVWDNIEHDB-UHFFFAOYSA-N 2 1 298.833 3.752 20 0 CHADMP CCC[N@@H+](Cc1c[nH]c2c1cccc2CC)C1CC[NH2+]CC1 ZINC001236183172 1130882689 /nfs/dbraw/zinc/88/26/89/1130882689.db2.gz WKVOTRVNONLDLW-UHFFFAOYSA-N 2 1 299.462 3.694 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215710 1130889553 /nfs/dbraw/zinc/88/95/53/1130889553.db2.gz IGGZLRDHXITWJE-RBUKOAKNSA-N 2 1 282.431 3.850 20 0 CHADMP C[N@@H+](Cc1ccc(C(C)(C)C)cc1)C1(C)CC[NH2+]CC1 ZINC001236222327 1130894935 /nfs/dbraw/zinc/89/49/35/1130894935.db2.gz HRZVLJFVCXXWTK-UHFFFAOYSA-N 2 1 274.452 3.558 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@@H+](C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236223236 1130896227 /nfs/dbraw/zinc/89/62/27/1130896227.db2.gz OAXNSULRJORNOC-BRWVUGGUSA-N 2 1 266.473 3.961 20 0 CHADMP C[N@@H+](CC1(c2ccccc2)CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236224910 1130897275 /nfs/dbraw/zinc/89/72/75/1130897275.db2.gz YNPZNADMDDSYHT-IYARVYRRSA-N 2 1 286.463 3.700 20 0 CHADMP CCCCc1ccc(C[N@@H+](C)C2(C)CC[NH2+]CC2)cc1 ZINC001236226067 1130897516 /nfs/dbraw/zinc/89/75/16/1130897516.db2.gz GQLRHZQTVJYUKI-UHFFFAOYSA-N 2 1 274.452 3.603 20 0 CHADMP c1ccc(C[N@H+](C[C@@H]2CC=CCC2)C2CC[NH2+]CC2)cc1 ZINC001236286781 1130910784 /nfs/dbraw/zinc/91/07/84/1130910784.db2.gz OVTFFARQTBPJGZ-GOSISDBHSA-N 2 1 284.447 3.597 20 0 CHADMP CC[N@H+](Cc1cccc(-c2ccccc2)c1)C[C@H]1CC[NH2+]C1 ZINC001236407150 1130931428 /nfs/dbraw/zinc/93/14/28/1130931428.db2.gz CNSLYAMWVOKJHM-SFHVURJKSA-N 2 1 294.442 3.785 20 0 CHADMP CC(C)=CCCC1=CC[C@H](C[N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001236411148 1130931927 /nfs/dbraw/zinc/93/19/27/1130931927.db2.gz MYXBJKPMYYWSOL-INDMIFKZSA-N 2 1 288.479 3.609 20 0 CHADMP Cc1c(C)c(C)c(C[N@H+]2CCC[C@H]([NH3+])[C@@H]2C)c(C)c1C ZINC001236421399 1130936244 /nfs/dbraw/zinc/93/62/44/1130936244.db2.gz QRRJPLBXVFBYAG-WMZOPIPTSA-N 2 1 274.452 3.540 20 0 CHADMP Cc1c(C)c(C)c(C[N@@H+]2CCC[C@H]([NH3+])[C@@H]2C)c(C)c1C ZINC001236421399 1130936248 /nfs/dbraw/zinc/93/62/48/1130936248.db2.gz QRRJPLBXVFBYAG-WMZOPIPTSA-N 2 1 274.452 3.540 20 0 CHADMP Cc1ccc(-c2cccc(C[N@H+]3CCC[C@H]([NH3+])[C@@H]3C)c2)cc1 ZINC001236419901 1130936265 /nfs/dbraw/zinc/93/62/65/1130936265.db2.gz MNWKKUYETBTWHL-JXFKEZNVSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1ccc(-c2cccc(C[N@@H+]3CCC[C@H]([NH3+])[C@@H]3C)c2)cc1 ZINC001236419901 1130936270 /nfs/dbraw/zinc/93/62/70/1130936270.db2.gz MNWKKUYETBTWHL-JXFKEZNVSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+]1CCC[C@H]([NH3+])[C@H]1C ZINC001236421960 1130937482 /nfs/dbraw/zinc/93/74/82/1130937482.db2.gz UYJXSOLGTWKAGV-OCCSQVGLSA-N 2 1 274.433 3.521 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+]1CCC[C@H]([NH3+])[C@H]1C ZINC001236421960 1130937484 /nfs/dbraw/zinc/93/74/84/1130937484.db2.gz UYJXSOLGTWKAGV-OCCSQVGLSA-N 2 1 274.433 3.521 20 0 CHADMP Cc1ccc(CCC[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)o1 ZINC001236455744 1130946165 /nfs/dbraw/zinc/94/61/65/1130946165.db2.gz YJOHASQPPLLXQM-UHFFFAOYSA-N 2 1 292.467 3.621 20 0 CHADMP CC/C=C\CC[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236540558 1130969243 /nfs/dbraw/zinc/96/92/43/1130969243.db2.gz GCXSSYRETBRSAQ-VHVAZGQRSA-N 2 1 264.457 3.715 20 0 CHADMP Cc1cccc(C[N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236550847 1130973979 /nfs/dbraw/zinc/97/39/79/1130973979.db2.gz NSYHBJUQNHSBGO-IYARVYRRSA-N 2 1 274.452 3.723 20 0 CHADMP CCC[C@H](C)C[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236553181 1130974830 /nfs/dbraw/zinc/97/48/30/1130974830.db2.gz XQCWGNAJIVHXKU-JYJNAYRXSA-N 2 1 254.462 3.651 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc3c(c2)CCC3)CC2CC2)CC1 ZINC001236552549 1130974895 /nfs/dbraw/zinc/97/48/95/1130974895.db2.gz RYUJVTQMVWHUGP-MXVIHJGJSA-N 2 1 298.474 3.657 20 0 CHADMP CCOC(C)(C)C[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236565333 1130976081 /nfs/dbraw/zinc/97/60/81/1130976081.db2.gz FDFZRWNZLYLPFF-JCNLHEQBSA-N 2 1 296.499 3.706 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccc(F)c2)C2CCCC2)CC1 ZINC001236567076 1130976737 /nfs/dbraw/zinc/97/67/37/1130976737.db2.gz SGUWFMYMRDETKH-SAABIXHNSA-N 2 1 290.426 3.840 20 0 CHADMP CCc1ccc(C[N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)o1 ZINC001236567765 1130976818 /nfs/dbraw/zinc/97/68/18/1130976818.db2.gz ZTUZLKQHHUGVNY-KOMQPUFPSA-N 2 1 290.451 3.857 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccc(Cl)c2)C2CCC2)CC1 ZINC001236572966 1130978095 /nfs/dbraw/zinc/97/80/95/1130978095.db2.gz YBGXGBGGFJGCGH-JCNLHEQBSA-N 2 1 292.854 3.964 20 0 CHADMP Cc1cc(C[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)ccc1F ZINC001236572471 1130978942 /nfs/dbraw/zinc/97/89/42/1130978942.db2.gz PTKJMAYAESBUTH-JCNLHEQBSA-N 2 1 290.426 3.759 20 0 CHADMP CC(C)c1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)ccc1Cl ZINC001236615959 1130983255 /nfs/dbraw/zinc/98/32/55/1130983255.db2.gz LICRXLCWYLOAJJ-INIZCTEOSA-N 2 1 280.843 3.634 20 0 CHADMP CC(C)c1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)ccc1Cl ZINC001236615959 1130983257 /nfs/dbraw/zinc/98/32/57/1130983257.db2.gz LICRXLCWYLOAJJ-INIZCTEOSA-N 2 1 280.843 3.634 20 0 CHADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001236604809 1130984149 /nfs/dbraw/zinc/98/41/49/1130984149.db2.gz OKFRJINKPOVIRD-IBGZPJMESA-N 2 1 298.405 3.663 20 0 CHADMP Cc1cc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)cc(C)c1F ZINC001236638266 1130986527 /nfs/dbraw/zinc/98/65/27/1130986527.db2.gz XSMGUZLGBBOCGM-UHFFFAOYSA-N 2 1 290.426 3.549 20 0 CHADMP Cc1cc(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)sc1C ZINC001236651127 1130988270 /nfs/dbraw/zinc/98/82/70/1130988270.db2.gz AXLODCUXYPCTAN-MRXNPFEDSA-N 2 1 292.492 3.862 20 0 CHADMP Cc1cc(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)sc1C ZINC001236651127 1130988273 /nfs/dbraw/zinc/98/82/73/1130988273.db2.gz AXLODCUXYPCTAN-MRXNPFEDSA-N 2 1 292.492 3.862 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC001236826926 1131016428 /nfs/dbraw/zinc/01/64/28/1131016428.db2.gz DCJWIGFMMIJUIZ-RYQLBKOJSA-N 2 1 286.463 3.543 20 0 CHADMP CCC[N@@H+](CC[C@H]1CC=C(C)C1(C)C)C[C@@H]1CC[NH2+]C1 ZINC001236829000 1131016946 /nfs/dbraw/zinc/01/69/46/1131016946.db2.gz JUDFYBCDGFVQDF-IAGOWNOFSA-N 2 1 278.484 3.690 20 0 CHADMP CCC[N@H+](Cc1csc2ccccc12)C[C@@H]1CC[NH2+]C1 ZINC001236835848 1131018185 /nfs/dbraw/zinc/01/81/85/1131018185.db2.gz PXQWYMYLJMFBOH-CQSZACIVSA-N 2 1 288.460 3.723 20 0 CHADMP CCC[N@H+](Cc1ccc(C(C)C)cc1)C[C@H]1CC[NH2+]C1 ZINC001236835608 1131018903 /nfs/dbraw/zinc/01/89/03/1131018903.db2.gz NWNPMDYPHMFSLK-KRWDZBQOSA-N 2 1 274.452 3.632 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CCC[C@H](CCc2ccccc2)C1 ZINC001236947593 1131033099 /nfs/dbraw/zinc/03/30/99/1131033099.db2.gz AKUMWWHQDLESLW-LJQANCHMSA-N 2 1 288.479 3.850 20 0 CHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC001237058097 1131044023 /nfs/dbraw/zinc/04/40/23/1131044023.db2.gz PHZSOTKRRAYBTN-FQEVSTJZSA-N 2 1 294.442 3.914 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc3c(F)cccc23)C1 ZINC001237081827 1131047546 /nfs/dbraw/zinc/04/75/46/1131047546.db2.gz MUYDHVVFAPDJIB-GOSISDBHSA-N 2 1 286.394 3.540 20 0 CHADMP Cc1c(C[N@H+](C(C)C)C2CCN(C)CC2)ccc(F)c1F ZINC001237165848 1131063908 /nfs/dbraw/zinc/06/39/08/1131063908.db2.gz KJTYGTZRRSNRAM-UHFFFAOYSA-N 2 1 296.405 3.578 20 0 CHADMP C[NH+]1CCC2(CCC[N@@H+](CCC3CCCCC3)C2)CC1 ZINC000798957466 1131063994 /nfs/dbraw/zinc/06/39/94/1131063994.db2.gz XTWGVEPABMKHOD-UHFFFAOYSA-N 2 1 278.484 3.765 20 0 CHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3sccc3Cl)C2)CC1 ZINC000798956909 1131064754 /nfs/dbraw/zinc/06/47/54/1131064754.db2.gz PLQMYLNRBMMDDY-UHFFFAOYSA-N 2 1 298.883 3.709 20 0 CHADMP CCc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)s1 ZINC000798957056 1131065267 /nfs/dbraw/zinc/06/52/67/1131065267.db2.gz KFZIGTLEXVDSRN-UHFFFAOYSA-N 2 1 292.492 3.618 20 0 CHADMP c1ccc2c(c1)C[NH2+]C21CC[NH+](CC2CCCCC2)CC1 ZINC001237360183 1131093303 /nfs/dbraw/zinc/09/33/03/1131093303.db2.gz UNUGUWVPANDREB-UHFFFAOYSA-N 2 1 284.447 3.661 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237382810 1131094518 /nfs/dbraw/zinc/09/45/18/1131094518.db2.gz NKTATMSKMZDKHQ-JWRSSPFQSA-N 2 1 278.484 3.977 20 0 CHADMP Fc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c2ccccc12 ZINC001237392045 1131095033 /nfs/dbraw/zinc/09/50/33/1131095033.db2.gz MGGOKOADIDBPDQ-HNAYVOBHSA-N 2 1 298.405 3.553 20 0 CHADMP c1cc(C2CCC2)ccc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237417200 1131097966 /nfs/dbraw/zinc/09/79/66/1131097966.db2.gz UBRKCPNKFGKUNY-OALUTQOASA-N 2 1 284.447 3.528 20 0 CHADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CC(C)(C)Cc3occc32)C1 ZINC001116293568 1131140161 /nfs/dbraw/zinc/14/01/61/1131140161.db2.gz SGOLPDYPYRLKCA-HOCLYGCPSA-N 2 1 290.451 3.615 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC(C)(C)Cc3occc32)C1 ZINC001116293568 1131140163 /nfs/dbraw/zinc/14/01/63/1131140163.db2.gz SGOLPDYPYRLKCA-HOCLYGCPSA-N 2 1 290.451 3.615 20 0 CHADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3C[C@@H]4[C@H](C3)C4(C)C)cc21 ZINC001237888080 1131148903 /nfs/dbraw/zinc/14/89/03/1131148903.db2.gz ZPVLEMUZLPXYOS-HDICACEKSA-N 2 1 296.458 3.776 20 0 CHADMP CC[NH+](CC)C1CC[NH+](CCCCc2ccccc2)CC1 ZINC001116673854 1131160214 /nfs/dbraw/zinc/16/02/14/1131160214.db2.gz NUNYLVVFBFOLQA-UHFFFAOYSA-N 2 1 288.479 3.816 20 0 CHADMP Cc1nc2c(s1)[C@H]([NH2+][C@H]1C[C@H]([NH3+])c3ccccc31)CCC2 ZINC000817921961 1131188290 /nfs/dbraw/zinc/18/82/90/1131188290.db2.gz LUEQQFOWQVZJAY-IMJJTQAJSA-N 2 1 299.443 3.563 20 0 CHADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccccc1SC(C)(C)C ZINC000817964507 1131192872 /nfs/dbraw/zinc/19/28/72/1131192872.db2.gz BBJUXWUFTFIKEH-DOMZBBRYSA-N 2 1 292.492 3.965 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC23CCCC3)cc1 ZINC001138544788 1131518725 /nfs/dbraw/zinc/51/87/25/1131518725.db2.gz OYYZPCJUZAHVAH-UHFFFAOYSA-N 2 1 281.403 3.699 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC23CCCC3)cc1 ZINC001138544788 1131518728 /nfs/dbraw/zinc/51/87/28/1131518728.db2.gz OYYZPCJUZAHVAH-UHFFFAOYSA-N 2 1 281.403 3.699 20 0 CHADMP CC[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138547497 1131519276 /nfs/dbraw/zinc/51/92/76/1131519276.db2.gz NBYUELSBFLIYLZ-INIZCTEOSA-N 2 1 269.392 3.555 20 0 CHADMP CC[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138547497 1131519280 /nfs/dbraw/zinc/51/92/80/1131519280.db2.gz NBYUELSBFLIYLZ-INIZCTEOSA-N 2 1 269.392 3.555 20 0 CHADMP CCCC[C@H](CC(C)C)[NH2+]CC[C@@H]1CC[NH2+]CC1(F)F ZINC001246479836 1131522758 /nfs/dbraw/zinc/52/27/58/1131522758.db2.gz AHYVNZVBBNNHEG-LSDHHAIUSA-N 2 1 290.442 3.816 20 0 CHADMP CCCCC[C@@H](CCC)[NH2+]CC[C@H]1CC[NH2+]CC1(F)F ZINC001246486565 1131524358 /nfs/dbraw/zinc/52/43/58/1131524358.db2.gz KGUNCXFBLFFYRR-HUUCEWRRSA-N 2 1 290.442 3.960 20 0 CHADMP CCc1nc(C)c([C@@H](C)[N@@H+](C)CCCCCCC[NH3+])s1 ZINC000844221442 1131537192 /nfs/dbraw/zinc/53/71/92/1131537192.db2.gz MQGUCNCQDPKOGX-CQSZACIVSA-N 2 1 297.512 3.916 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC001246548790 1131601616 /nfs/dbraw/zinc/60/16/16/1131601616.db2.gz HKAWRWKCDLTJLP-JYJNAYRXSA-N 2 1 254.462 3.523 20 0 CHADMP CCCCC[C@@H](CCC)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246550151 1131603704 /nfs/dbraw/zinc/60/37/04/1131603704.db2.gz NXMRMIOQZCNOTE-HZPDHXFCSA-N 2 1 272.452 3.888 20 0 CHADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(Cl)c(OC)c1 ZINC001139616100 1131622618 /nfs/dbraw/zinc/62/26/18/1131622618.db2.gz ZIMMZZWMIQJGHC-UHFFFAOYSA-N 2 1 298.858 3.512 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(Cl)c(OC)c1 ZINC001139616100 1131622620 /nfs/dbraw/zinc/62/26/20/1131622620.db2.gz ZIMMZZWMIQJGHC-UHFFFAOYSA-N 2 1 298.858 3.512 20 0 CHADMP C[C@@H]1C[N@H+](C2CCC3(CCCC3)CC2)CCC[C@@H]1C[NH3+] ZINC001246560414 1131622723 /nfs/dbraw/zinc/62/27/23/1131622723.db2.gz GIGGXIKDEDHPQP-HZPDHXFCSA-N 2 1 278.484 3.796 20 0 CHADMP CCCC[C@@H](CC(C)C)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246564485 1131625361 /nfs/dbraw/zinc/62/53/61/1131625361.db2.gz ZBHFRPQQOGUMNA-HOTGVXAUSA-N 2 1 272.452 3.744 20 0 CHADMP CCCCC[C@H](CCC)[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001246564303 1131628690 /nfs/dbraw/zinc/62/86/90/1131628690.db2.gz MNHZRLPECFKWPV-JYJNAYRXSA-N 2 1 254.462 3.795 20 0 CHADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccccc1C(F)F ZINC001139801032 1131637502 /nfs/dbraw/zinc/63/75/02/1131637502.db2.gz IHUJMLROWDENSW-UHFFFAOYSA-N 2 1 282.378 3.542 20 0 CHADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccccc1C(F)F ZINC001139801032 1131637505 /nfs/dbraw/zinc/63/75/05/1131637505.db2.gz IHUJMLROWDENSW-UHFFFAOYSA-N 2 1 282.378 3.542 20 0 CHADMP CC(C)CCC[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246569690 1131638166 /nfs/dbraw/zinc/63/81/66/1131638166.db2.gz RWVKXBASSIGTNM-PMPSAXMXSA-N 2 1 254.462 3.508 20 0 CHADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCCC[C@](C)(F)C2)CC[NH2+]1 ZINC001246576886 1131666677 /nfs/dbraw/zinc/66/66/77/1131666677.db2.gz PXORDXPDGCCTJE-PMPSAXMXSA-N 2 1 270.436 3.511 20 0 CHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000845995283 1131678772 /nfs/dbraw/zinc/67/87/72/1131678772.db2.gz BMOCAFIKZNLJQQ-KGLIPLIRSA-N 2 1 294.405 3.675 20 0 CHADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)CC(C)(C)C1 ZINC001246581333 1131685220 /nfs/dbraw/zinc/68/52/20/1131685220.db2.gz YWSLJBXHGJARAK-VYDXJSESSA-N 2 1 266.473 3.652 20 0 CHADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CC(C)(C)C1 ZINC001246581322 1131685641 /nfs/dbraw/zinc/68/56/41/1131685641.db2.gz YWSLJBXHGJARAK-HLLBOEOZSA-N 2 1 266.473 3.652 20 0 CHADMP C[C@]1(C[NH3+])CCCC[N@H+](C2CCC(C(F)(F)F)CC2)C1 ZINC001246587233 1131698869 /nfs/dbraw/zinc/69/88/69/1131698869.db2.gz WFXDYJSTKKUMRO-JXQTWKCFSA-N 2 1 292.389 3.558 20 0 CHADMP C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCCCCC[NH3+])C1 ZINC000846219579 1131702015 /nfs/dbraw/zinc/70/20/15/1131702015.db2.gz SMYWKDFAZDEHLQ-YOEHRIQHSA-N 2 1 278.415 3.728 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001246590676 1131707155 /nfs/dbraw/zinc/70/71/55/1131707155.db2.gz KOXSXBBJXLGTDG-FZKCQIBNSA-N 2 1 254.462 3.506 20 0 CHADMP CC(C)[N@@H+]([C@H]1CC[C@@H](C)[C@H](C)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246595927 1131710312 /nfs/dbraw/zinc/71/03/12/1131710312.db2.gz UFKAVLUQOMPHCP-VQHPVUNQSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)C[N@@H+](C)CCC[NH2+]CC1CCC(C)(C)CC1 ZINC001203032129 1131711847 /nfs/dbraw/zinc/71/18/47/1131711847.db2.gz NPIBCYOASHXXPU-UHFFFAOYSA-N 2 1 268.489 3.770 20 0 CHADMP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCC[N@H+](C)CC(C)C ZINC001203031985 1131712081 /nfs/dbraw/zinc/71/20/81/1131712081.db2.gz MOHQSKVRIKJTAB-SJORKVTESA-N 2 1 266.473 3.546 20 0 CHADMP CCOc1cccc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000834911504 1131732099 /nfs/dbraw/zinc/73/20/99/1131732099.db2.gz ZJJAMFTVEUPFJC-HNNXBMFYSA-N 2 1 290.451 3.610 20 0 CHADMP CCCC[C@H](CCC)[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246634430 1131741175 /nfs/dbraw/zinc/74/11/75/1131741175.db2.gz NQHUEORKNVLETQ-IRXDYDNUSA-N 2 1 266.473 3.953 20 0 CHADMP CCCC[C@H](CCC)[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246634430 1131741181 /nfs/dbraw/zinc/74/11/81/1131741181.db2.gz NQHUEORKNVLETQ-IRXDYDNUSA-N 2 1 266.473 3.953 20 0 CHADMP CCCCCC[C@H](CC)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001246649905 1131775800 /nfs/dbraw/zinc/77/58/00/1131775800.db2.gz RNBYTVADHANAQE-HOTGVXAUSA-N 2 1 252.446 3.563 20 0 CHADMP CCCC[C@H](CC(C)C)[N@H+]1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001246689309 1131782491 /nfs/dbraw/zinc/78/24/91/1131782491.db2.gz INTDLKHXRBRWHH-BZUAXINKSA-N 2 1 284.463 3.600 20 0 CHADMP CCC(C)(C)C1CCC([N@H+]2CCCC3(C[NH2+]C3)C2)CC1 ZINC001246791525 1131783826 /nfs/dbraw/zinc/78/38/26/1131783826.db2.gz KXDKGRCVVGMKPT-UHFFFAOYSA-N 2 1 278.484 3.667 20 0 CHADMP CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]3CCC[C@@H]32)C[C@H](CC)[NH2+]1 ZINC001246819821 1131785003 /nfs/dbraw/zinc/78/50/03/1131785003.db2.gz KGOYGVFCENPQNR-UUAJXVIYSA-N 2 1 264.457 3.560 20 0 CHADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H]3CCC[C@@H]32)C[C@H](CC)[NH2+]1 ZINC001246819821 1131785009 /nfs/dbraw/zinc/78/50/09/1131785009.db2.gz KGOYGVFCENPQNR-UUAJXVIYSA-N 2 1 264.457 3.560 20 0 CHADMP C1C[C@@]2(C[NH2+]1)CCC[C@H]([N@H+]1CCC3(C1)CCCCC3)C2 ZINC001246996197 1131838774 /nfs/dbraw/zinc/83/87/74/1131838774.db2.gz GVJXVXZNVXGVPF-WMZOPIPTSA-N 2 1 276.468 3.565 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC2(CCCCC2)C1 ZINC000348166442 1131892697 /nfs/dbraw/zinc/89/26/97/1131892697.db2.gz OJPXTEWKWJFXFO-MRXNPFEDSA-N 2 1 264.457 3.517 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC2(CCCCC2)C1 ZINC000348166442 1131892700 /nfs/dbraw/zinc/89/27/00/1131892700.db2.gz OJPXTEWKWJFXFO-MRXNPFEDSA-N 2 1 264.457 3.517 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC2(CCCCC2)C1 ZINC000348166442 1131892708 /nfs/dbraw/zinc/89/27/08/1131892708.db2.gz OJPXTEWKWJFXFO-MRXNPFEDSA-N 2 1 264.457 3.517 20 0 CHADMP C(C[NH+]1CCCC2(CCC2)C1)C[N@H+]1CCCC2(CCC2)C1 ZINC000348194061 1131895771 /nfs/dbraw/zinc/89/57/71/1131895771.db2.gz PLSMYNCFUIFNPD-UHFFFAOYSA-N 2 1 290.495 3.909 20 0 CHADMP Fc1cccc2c(C[NH+]3CCC4(CCC[NH2+]4)CC3)cccc12 ZINC001228555735 1131909634 /nfs/dbraw/zinc/90/96/34/1131909634.db2.gz IXBNXSBSFZXLDM-UHFFFAOYSA-N 2 1 298.405 3.697 20 0 CHADMP CC[N@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccccc1 ZINC001140799836 1131924622 /nfs/dbraw/zinc/92/46/22/1131924622.db2.gz NZGOQDUFRGAHOU-UHFFFAOYSA-N 2 1 265.360 3.585 20 0 CHADMP CC[N@@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccccc1 ZINC001140799836 1131924627 /nfs/dbraw/zinc/92/46/27/1131924627.db2.gz NZGOQDUFRGAHOU-UHFFFAOYSA-N 2 1 265.360 3.585 20 0 CHADMP c1csc([C@@H]2CCC[N@H+]2Cc2c[nH]c3cc[nH+]cc23)c1 ZINC001140803024 1131927094 /nfs/dbraw/zinc/92/70/94/1131927094.db2.gz JLYKYIOTSOXFEH-HNNXBMFYSA-N 2 1 283.400 3.962 20 0 CHADMP c1csc([C@@H]2CCC[N@@H+]2Cc2c[nH]c3cc[nH+]cc23)c1 ZINC001140803024 1131927098 /nfs/dbraw/zinc/92/70/98/1131927098.db2.gz JLYKYIOTSOXFEH-HNNXBMFYSA-N 2 1 283.400 3.962 20 0 CHADMP C1C[N@@H+]2CCCC[C@@H]2[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000037292654 1132027416 /nfs/dbraw/zinc/02/74/16/1132027416.db2.gz MNAXFEWXJYNGNM-YYWYGQEZSA-N 2 1 276.468 3.562 20 0 CHADMP C1C[N@H+]2CCCC[C@@H]2[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000037292654 1132027425 /nfs/dbraw/zinc/02/74/25/1132027425.db2.gz MNAXFEWXJYNGNM-YYWYGQEZSA-N 2 1 276.468 3.562 20 0 CHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1(C)CC1 ZINC000716639065 1132029317 /nfs/dbraw/zinc/02/93/17/1132029317.db2.gz RNDOBBAHCMLEFS-LULLPPNCSA-N 2 1 298.474 3.818 20 0 CHADMP CC/C=C\C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716693637 1132029612 /nfs/dbraw/zinc/02/96/12/1132029612.db2.gz PKCXEMACMXKXRN-LJYNCLAQSA-N 2 1 284.447 3.595 20 0 CHADMP C[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1(C)CC1 ZINC000716639057 1132029687 /nfs/dbraw/zinc/02/96/87/1132029687.db2.gz RNDOBBAHCMLEFS-BVBHFADKSA-N 2 1 298.474 3.818 20 0 CHADMP CCc1ccccc1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001141229789 1132051711 /nfs/dbraw/zinc/05/17/11/1132051711.db2.gz QLCJGARZRMSCKN-UHFFFAOYSA-N 2 1 286.463 3.699 20 0 CHADMP C[N@H+](Cc1cccs1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171637456 1132081731 /nfs/dbraw/zinc/08/17/31/1132081731.db2.gz NZHAEDGCYCJVGZ-UHFFFAOYSA-N 2 1 280.481 3.831 20 0 CHADMP C[N@@H+](Cc1cccs1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171637456 1132081738 /nfs/dbraw/zinc/08/17/38/1132081738.db2.gz NZHAEDGCYCJVGZ-UHFFFAOYSA-N 2 1 280.481 3.831 20 0 CHADMP CC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967719 1132112369 /nfs/dbraw/zinc/11/23/69/1132112369.db2.gz AZONKLLHJFUOGW-RDJZCZTQSA-N 2 1 274.452 3.818 20 0 CHADMP CC[NH+](CC)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976053 1132117668 /nfs/dbraw/zinc/11/76/68/1132117668.db2.gz HUYOFYBKYPPHQT-QGZVFWFLSA-N 2 1 274.452 3.771 20 0 CHADMP CC[NH+](CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976053 1132117671 /nfs/dbraw/zinc/11/76/71/1132117671.db2.gz HUYOFYBKYPPHQT-QGZVFWFLSA-N 2 1 274.452 3.771 20 0 CHADMP CC1(C)C[C@@H]([NH+]2CC3(CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171982347 1132119650 /nfs/dbraw/zinc/11/96/50/1132119650.db2.gz QYFOQDKHTVDDBQ-SFHVURJKSA-N 2 1 298.474 3.916 20 0 CHADMP CC1(C)C[C@H](n2ccc(C[NH3+])c2)CC[N@H+]1Cc1ccccc1 ZINC001171981332 1132119781 /nfs/dbraw/zinc/11/97/81/1132119781.db2.gz CIZFGTIQMLATLP-GOSISDBHSA-N 2 1 297.446 3.563 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(F)cc(Cl)c1)C2 ZINC001172098842 1132122965 /nfs/dbraw/zinc/12/29/65/1132122965.db2.gz GTGQJFJCDOONCG-PHZGNYQRSA-N 2 1 296.817 3.584 20 0 CHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCCC2)C3)cc1 ZINC001172080997 1132124041 /nfs/dbraw/zinc/12/40/41/1132124041.db2.gz YTWYZQRKALSFHR-BWTSREIZSA-N 2 1 284.447 3.668 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCCC2)C3)cc1 ZINC001172080997 1132124045 /nfs/dbraw/zinc/12/40/45/1132124045.db2.gz YTWYZQRKALSFHR-BWTSREIZSA-N 2 1 284.447 3.668 20 0 CHADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC001172068468 1132124644 /nfs/dbraw/zinc/12/46/44/1132124644.db2.gz QXWVAAOPVXRHIZ-MVJPYGJCSA-N 2 1 298.474 3.960 20 0 CHADMP C[NH+](Cc1ccc(Cl)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172125927 1132124662 /nfs/dbraw/zinc/12/46/62/1132124662.db2.gz RVWUDDLTHQFYPW-FVQHAEBGSA-N 2 1 292.854 3.787 20 0 CHADMP C[NH+](Cc1ccc(Cl)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172125927 1132124664 /nfs/dbraw/zinc/12/46/64/1132124664.db2.gz RVWUDDLTHQFYPW-FVQHAEBGSA-N 2 1 292.854 3.787 20 0 CHADMP C[C@H](CCc1ccccc1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172099797 1132125317 /nfs/dbraw/zinc/12/53/17/1132125317.db2.gz KKBUIWSFUPFOJH-OQIJWPOYSA-N 2 1 286.463 3.613 20 0 CHADMP C[C@H](CCc1ccccc1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099797 1132125318 /nfs/dbraw/zinc/12/53/18/1132125318.db2.gz KKBUIWSFUPFOJH-OQIJWPOYSA-N 2 1 286.463 3.613 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@@H]3C[C@H](C1)c1ccccc13)C2 ZINC001172127701 1132127980 /nfs/dbraw/zinc/12/79/80/1132127980.db2.gz JLPXVYGMADOHLQ-MEWRGDBZSA-N 2 1 296.458 3.588 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@@H]3C[C@H](C1)c1ccccc13)C2 ZINC001172127701 1132127985 /nfs/dbraw/zinc/12/79/85/1132127985.db2.gz JLPXVYGMADOHLQ-MEWRGDBZSA-N 2 1 296.458 3.588 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@@H]3C[C@H](C1)c1ccccc13)C2 ZINC001172127701 1132127989 /nfs/dbraw/zinc/12/79/89/1132127989.db2.gz JLPXVYGMADOHLQ-MEWRGDBZSA-N 2 1 296.458 3.588 20 0 CHADMP Cc1ccc([C@@H]2CCC[NH+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cn1 ZINC001172129259 1132128243 /nfs/dbraw/zinc/12/82/43/1132128243.db2.gz XWZKOFHVMMJXPA-RDGPPVDQSA-N 2 1 299.462 3.542 20 0 CHADMP Cc1ccc([C@@H]2CCC[NH+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cn1 ZINC001172129259 1132128247 /nfs/dbraw/zinc/12/82/47/1132128247.db2.gz XWZKOFHVMMJXPA-RDGPPVDQSA-N 2 1 299.462 3.542 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@H+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cn1 ZINC001172129259 1132128250 /nfs/dbraw/zinc/12/82/50/1132128250.db2.gz XWZKOFHVMMJXPA-RDGPPVDQSA-N 2 1 299.462 3.542 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cn1 ZINC001172129259 1132128256 /nfs/dbraw/zinc/12/82/56/1132128256.db2.gz XWZKOFHVMMJXPA-RDGPPVDQSA-N 2 1 299.462 3.542 20 0 CHADMP CC[N@H+](Cc1ccc(F)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128591 1132128267 /nfs/dbraw/zinc/12/82/67/1132128267.db2.gz SOACLEDMOCQTPI-PIIMJCKOSA-N 2 1 290.426 3.663 20 0 CHADMP CC[N@@H+](Cc1ccc(F)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128591 1132128271 /nfs/dbraw/zinc/12/82/71/1132128271.db2.gz SOACLEDMOCQTPI-PIIMJCKOSA-N 2 1 290.426 3.663 20 0 CHADMP CC[NH+](Cc1ccc(F)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128591 1132128274 /nfs/dbraw/zinc/12/82/74/1132128274.db2.gz SOACLEDMOCQTPI-PIIMJCKOSA-N 2 1 290.426 3.663 20 0 CHADMP CC[NH+](Cc1ccc(F)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128591 1132128278 /nfs/dbraw/zinc/12/82/78/1132128278.db2.gz SOACLEDMOCQTPI-PIIMJCKOSA-N 2 1 290.426 3.663 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC(C)(C)CC(F)(F)F)C2 ZINC001172110360 1132129002 /nfs/dbraw/zinc/12/90/02/1132129002.db2.gz LOXHBCBVRLHVTN-XYYAHUGASA-N 2 1 292.389 3.570 20 0 CHADMP CCC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCCCC1 ZINC001172107137 1132129460 /nfs/dbraw/zinc/12/94/60/1132129460.db2.gz SPBSVXHJRMNDLJ-PHZGNYQRSA-N 2 1 264.457 3.704 20 0 CHADMP CCC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCCCC1 ZINC001172107137 1132129463 /nfs/dbraw/zinc/12/94/63/1132129463.db2.gz SPBSVXHJRMNDLJ-PHZGNYQRSA-N 2 1 264.457 3.704 20 0 CHADMP CC(C)[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC001172104308 1132129944 /nfs/dbraw/zinc/12/99/44/1132129944.db2.gz CCNUXKYHPFCDIW-FCGDIQPGSA-N 2 1 286.463 3.989 20 0 CHADMP CC(C)[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001172104308 1132129948 /nfs/dbraw/zinc/12/99/48/1132129948.db2.gz CCNUXKYHPFCDIW-FCGDIQPGSA-N 2 1 286.463 3.989 20 0 CHADMP CC(C)[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC001172104304 1132130098 /nfs/dbraw/zinc/13/00/98/1132130098.db2.gz CCNUXKYHPFCDIW-AKHDSKFASA-N 2 1 286.463 3.989 20 0 CHADMP CC(C)[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001172104304 1132130100 /nfs/dbraw/zinc/13/01/00/1132130100.db2.gz CCNUXKYHPFCDIW-AKHDSKFASA-N 2 1 286.463 3.989 20 0 CHADMP Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172110752 1132130316 /nfs/dbraw/zinc/13/03/16/1132130316.db2.gz ONNXRUGQLAPQTR-LUKYLMHMSA-N 2 1 272.436 3.661 20 0 CHADMP Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172110752 1132130319 /nfs/dbraw/zinc/13/03/19/1132130319.db2.gz ONNXRUGQLAPQTR-LUKYLMHMSA-N 2 1 272.436 3.661 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)CC(C)(C)C)C2 ZINC001172106571 1132130333 /nfs/dbraw/zinc/13/03/33/1132130333.db2.gz QGQLOTMYZNACBL-QKDCVEJESA-N 2 1 266.473 3.806 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)CC(C)(C)C)C2 ZINC001172106571 1132130337 /nfs/dbraw/zinc/13/03/37/1132130337.db2.gz QGQLOTMYZNACBL-QKDCVEJESA-N 2 1 266.473 3.806 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCCc1ccccc1)C2 ZINC001172112772 1132130915 /nfs/dbraw/zinc/13/09/15/1132130915.db2.gz ACADQMCNTAEGSZ-LDLYASANSA-N 2 1 286.463 3.614 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CCC2 ZINC001172111611 1132131640 /nfs/dbraw/zinc/13/16/40/1132131640.db2.gz VUUMVYAKVZIJCN-DMUMMCEESA-N 2 1 298.474 3.977 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CCC2 ZINC001172111611 1132131648 /nfs/dbraw/zinc/13/16/48/1132131648.db2.gz VUUMVYAKVZIJCN-DMUMMCEESA-N 2 1 298.474 3.977 20 0 CHADMP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172112370 1132132108 /nfs/dbraw/zinc/13/21/08/1132132108.db2.gz VVEGPKHJYDLFTD-XLAORIBOSA-N 2 1 286.463 3.969 20 0 CHADMP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172112370 1132132112 /nfs/dbraw/zinc/13/21/12/1132132112.db2.gz VVEGPKHJYDLFTD-XLAORIBOSA-N 2 1 286.463 3.969 20 0 CHADMP CC[N@@H+](Cc1ccccc1F)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120235 1132132577 /nfs/dbraw/zinc/13/25/77/1132132577.db2.gz BERKIGIGUZQOSK-BJWYYQGGSA-N 2 1 290.426 3.663 20 0 CHADMP CC[NH+](Cc1ccccc1F)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172120235 1132132583 /nfs/dbraw/zinc/13/25/83/1132132583.db2.gz BERKIGIGUZQOSK-BJWYYQGGSA-N 2 1 290.426 3.663 20 0 CHADMP CC[NH+](Cc1ccccc1F)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172120235 1132132587 /nfs/dbraw/zinc/13/25/87/1132132587.db2.gz BERKIGIGUZQOSK-BJWYYQGGSA-N 2 1 290.426 3.663 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1ccc(Cl)s1)C2 ZINC001172110886 1132133557 /nfs/dbraw/zinc/13/35/57/1132133557.db2.gz QPADOUXWCPHFQL-XYYAHUGASA-N 2 1 298.883 3.549 20 0 CHADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(F)c1F ZINC001172113708 1132134088 /nfs/dbraw/zinc/13/40/88/1132134088.db2.gz JEVATXHHJNJPIE-YIYPIFLZSA-N 2 1 294.389 3.631 20 0 CHADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1F ZINC001172113708 1132134092 /nfs/dbraw/zinc/13/40/92/1132134092.db2.gz JEVATXHHJNJPIE-YIYPIFLZSA-N 2 1 294.389 3.631 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]1c1ccccc1)C2 ZINC001172120397 1132134121 /nfs/dbraw/zinc/13/41/21/1132134121.db2.gz FEDSNAWSVVIKER-MANSERQUSA-N 2 1 284.447 3.839 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]1c1ccccc1)C2 ZINC001172120397 1132134126 /nfs/dbraw/zinc/13/41/26/1132134126.db2.gz FEDSNAWSVVIKER-MANSERQUSA-N 2 1 284.447 3.839 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]1c1ccccc1)C2 ZINC001172120397 1132134129 /nfs/dbraw/zinc/13/41/29/1132134129.db2.gz FEDSNAWSVVIKER-MANSERQUSA-N 2 1 284.447 3.839 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H]1c1ccccc1)C2 ZINC001172120397 1132134135 /nfs/dbraw/zinc/13/41/35/1132134135.db2.gz FEDSNAWSVVIKER-MANSERQUSA-N 2 1 284.447 3.839 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@H](Cc3ccccc3)C1)C2 ZINC001172124104 1132135377 /nfs/dbraw/zinc/13/53/77/1132135377.db2.gz JLKYDXKCFFQSBL-HAGHYFMRSA-N 2 1 298.474 3.566 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@H](Cc3ccccc3)C1)C2 ZINC001172124104 1132135380 /nfs/dbraw/zinc/13/53/80/1132135380.db2.gz JLKYDXKCFFQSBL-HAGHYFMRSA-N 2 1 298.474 3.566 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@@H](Cc3ccccc3)C1)C2 ZINC001172124104 1132135384 /nfs/dbraw/zinc/13/53/84/1132135384.db2.gz JLKYDXKCFFQSBL-HAGHYFMRSA-N 2 1 298.474 3.566 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@@H](Cc3ccccc3)C1)C2 ZINC001172124104 1132135387 /nfs/dbraw/zinc/13/53/87/1132135387.db2.gz JLKYDXKCFFQSBL-HAGHYFMRSA-N 2 1 298.474 3.566 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC3(CCCC3)C1)C2 ZINC001172122253 1132136039 /nfs/dbraw/zinc/13/60/39/1132136039.db2.gz YJUUVPIZBLYJRV-FVQHAEBGSA-N 2 1 276.468 3.658 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCCC3(CCCC3)C1)C2 ZINC001172122253 1132136044 /nfs/dbraw/zinc/13/60/44/1132136044.db2.gz YJUUVPIZBLYJRV-FVQHAEBGSA-N 2 1 276.468 3.658 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCC3(CCCC3)C1)C2 ZINC001172122253 1132136046 /nfs/dbraw/zinc/13/60/46/1132136046.db2.gz YJUUVPIZBLYJRV-FVQHAEBGSA-N 2 1 276.468 3.658 20 0 CHADMP CC[C@@H](C)OCC[C@@H](C)[N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172338335 1132175397 /nfs/dbraw/zinc/17/53/97/1132175397.db2.gz YIZAKVXHICLCAU-QBPKDAKJSA-N 2 1 284.488 3.560 20 0 CHADMP CC[C@@H](CC(C)C)N(c1[nH+]cccc1C)C1CC[NH2+]CC1 ZINC001172404937 1132197492 /nfs/dbraw/zinc/19/74/92/1132197492.db2.gz OFYVFAWOZAJUEL-INIZCTEOSA-N 2 1 289.467 3.773 20 0 CHADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172565477 1132269779 /nfs/dbraw/zinc/26/97/79/1132269779.db2.gz ZJJLFXXUVPYCGA-IEBWSBKVSA-N 2 1 286.463 3.739 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172565477 1132269784 /nfs/dbraw/zinc/26/97/84/1132269784.db2.gz ZJJLFXXUVPYCGA-IEBWSBKVSA-N 2 1 286.463 3.739 20 0 CHADMP C[NH+]1CCC2(CC[N@H+]([C@H]3CC[C@@H](c4ccccc4)C3)C2)CC1 ZINC001172565371 1132270806 /nfs/dbraw/zinc/27/08/06/1132270806.db2.gz XMNIEQJRKNZMCW-MOPGFXCFSA-N 2 1 298.474 3.740 20 0 CHADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172540520 1132276295 /nfs/dbraw/zinc/27/62/95/1132276295.db2.gz ILMUPLKDLOPEKG-YSTOQKLRSA-N 2 1 298.474 3.596 20 0 CHADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172540520 1132276299 /nfs/dbraw/zinc/27/62/99/1132276299.db2.gz ILMUPLKDLOPEKG-YSTOQKLRSA-N 2 1 298.474 3.596 20 0 CHADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172540520 1132276304 /nfs/dbraw/zinc/27/63/04/1132276304.db2.gz ILMUPLKDLOPEKG-YSTOQKLRSA-N 2 1 298.474 3.596 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172548510 1132281274 /nfs/dbraw/zinc/28/12/74/1132281274.db2.gz DYWBXABAXOSCFX-RTBURBONSA-N 2 1 288.479 3.986 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)[C@H]1CCc2ccc(C)cc2C1 ZINC001172839550 1132332152 /nfs/dbraw/zinc/33/21/52/1132332152.db2.gz RZXZQEWRGCIMAS-IBGZPJMESA-N 2 1 288.479 3.516 20 0 CHADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCC[C@H](OC)C1 ZINC001172927951 1132365015 /nfs/dbraw/zinc/36/50/15/1132365015.db2.gz HSYKUOLJRIWXOF-DKIMLUQUSA-N 2 1 296.499 3.705 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H]3CCC[C@@H]3C2)CC1 ZINC001173110515 1132393665 /nfs/dbraw/zinc/39/36/65/1132393665.db2.gz UXUYAEDSJUHSST-KNXWPPODSA-N 2 1 278.484 3.761 20 0 CHADMP CC[NH+](CC)C1CCC([N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CC1 ZINC001173110001 1132394402 /nfs/dbraw/zinc/39/44/02/1132394402.db2.gz MQHYZONFESMVOM-OQSMONGASA-N 2 1 278.484 3.761 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCC(F)(F)[C@H](C)C2)CC1 ZINC001173110124 1132394527 /nfs/dbraw/zinc/39/45/27/1132394527.db2.gz PDLHGCUNZJHCOJ-WLYUNCDWSA-N 2 1 288.426 3.617 20 0 CHADMP C[C@H]1C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)Cc2ccccc21 ZINC001232012165 1132410330 /nfs/dbraw/zinc/41/03/30/1132410330.db2.gz UKXVGQQWJSPGHU-ZDUSSCGKSA-N 2 1 277.371 3.682 20 0 CHADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC001232014344 1132411223 /nfs/dbraw/zinc/41/12/23/1132411223.db2.gz OERAMVKYXFVLOT-CXAGYDPISA-N 2 1 269.392 3.718 20 0 CHADMP CCCC[C@H](CC(C)C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001173248057 1132418560 /nfs/dbraw/zinc/41/85/60/1132418560.db2.gz BMJKQHQAOUCZOW-JKSUJKDBSA-N 2 1 254.462 3.523 20 0 CHADMP CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001173275537 1132419254 /nfs/dbraw/zinc/41/92/54/1132419254.db2.gz SGWLQPCYNNHIPW-BZUAXINKSA-N 2 1 264.457 3.562 20 0 CHADMP CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001173275537 1132419256 /nfs/dbraw/zinc/41/92/56/1132419256.db2.gz SGWLQPCYNNHIPW-BZUAXINKSA-N 2 1 264.457 3.562 20 0 CHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c1 ZINC001232145224 1132428363 /nfs/dbraw/zinc/42/83/63/1132428363.db2.gz YQIMIRWMOGEAKI-IAGOWNOFSA-N 2 1 290.426 3.509 20 0 CHADMP CC[C@H]1CC[C@@H]([N@@H+](CCC[NH3+])C2CCCCC2)C1 ZINC001173265665 1132431690 /nfs/dbraw/zinc/43/16/90/1132431690.db2.gz UUMARGQPWSJHOW-GOEBONIOSA-N 2 1 252.446 3.549 20 0 CHADMP CC[C@@H]1CC[C@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173269600 1132433775 /nfs/dbraw/zinc/43/37/75/1132433775.db2.gz JCTJVDLLYIYLQK-SRABZTEZSA-N 2 1 264.457 3.690 20 0 CHADMP CC[C@H]1CC[C@H]([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)C1 ZINC001173269125 1132434514 /nfs/dbraw/zinc/43/45/14/1132434514.db2.gz FSFZCJQNLGOCLI-YOEHRIQHSA-N 2 1 290.426 3.654 20 0 CHADMP CC[C@@H]1CC[C@H]([N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)C1 ZINC001173296677 1132444221 /nfs/dbraw/zinc/44/42/21/1132444221.db2.gz VPWFVTBBTNHOJJ-OWSLCNJRSA-N 2 1 278.484 3.904 20 0 CHADMP CC[C@@H]1CC[C@H]([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)C1 ZINC001173296677 1132444225 /nfs/dbraw/zinc/44/42/25/1132444225.db2.gz VPWFVTBBTNHOJJ-OWSLCNJRSA-N 2 1 278.484 3.904 20 0 CHADMP CC[C@@H]1CC[C@H]([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)C1 ZINC001173296677 1132444229 /nfs/dbraw/zinc/44/42/29/1132444229.db2.gz VPWFVTBBTNHOJJ-OWSLCNJRSA-N 2 1 278.484 3.904 20 0 CHADMP CC[C@H]1CC[C@@H](N(c2[nH+]cccc2C)C2CC[NH2+]CC2)C1 ZINC001173282010 1132455181 /nfs/dbraw/zinc/45/51/81/1132455181.db2.gz CIVGYXDWPLSBSK-DOTOQJQBSA-N 2 1 287.451 3.527 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001173341980 1132468811 /nfs/dbraw/zinc/46/88/11/1132468811.db2.gz UKWXUEAQWNYKAL-DLBZAZTESA-N 2 1 278.484 3.953 20 0 CHADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCCC4(CCCCC4)C3)C2)C1 ZINC001173350454 1132474930 /nfs/dbraw/zinc/47/49/30/1132474930.db2.gz VZSFDGVRTFCHBO-HKUYNNGSSA-N 2 1 290.495 3.907 20 0 CHADMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCCC4(CCCCC4)C3)C2)C1 ZINC001173350454 1132474935 /nfs/dbraw/zinc/47/49/35/1132474935.db2.gz VZSFDGVRTFCHBO-HKUYNNGSSA-N 2 1 290.495 3.907 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363695 1132521880 /nfs/dbraw/zinc/52/18/80/1132521880.db2.gz KDAORZCSELRYHH-MRXNPFEDSA-N 2 1 294.442 3.976 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363736 1132525030 /nfs/dbraw/zinc/52/50/30/1132525030.db2.gz NCKRHKTVCZNCRJ-MRXNPFEDSA-N 2 1 294.442 3.976 20 0 CHADMP CCCC1CCC(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC001203136144 1132526832 /nfs/dbraw/zinc/52/68/32/1132526832.db2.gz LQCHSYFOBCIVHC-ABHNRTSZSA-N 2 1 280.500 3.914 20 0 CHADMP Cc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc(C)c1Cl ZINC001206641471 1132569843 /nfs/dbraw/zinc/56/98/43/1132569843.db2.gz XXMJOIKCXXKOIV-AWEZNQCLSA-N 2 1 280.843 3.518 20 0 CHADMP C[C@H]1CCCC[N@@H+]1CCCNc1cc(C2CC2)cc[nH+]1 ZINC001156929452 1132716471 /nfs/dbraw/zinc/71/64/71/1132716471.db2.gz WZBIDGFFPJYPTJ-AWEZNQCLSA-N 2 1 273.424 3.635 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCNc1cc(C2CC2)cc[nH+]1 ZINC001156929452 1132716473 /nfs/dbraw/zinc/71/64/73/1132716473.db2.gz WZBIDGFFPJYPTJ-AWEZNQCLSA-N 2 1 273.424 3.635 20 0 CHADMP Cc1c[nH+]c(N(C2CCCC2)C2CC[NH+](C)CC2)c(C)c1 ZINC001158488201 1132781457 /nfs/dbraw/zinc/78/14/57/1132781457.db2.gz MWXHKRWTVCAWTL-UHFFFAOYSA-N 2 1 287.451 3.542 20 0 CHADMP Cn1c2ccccc2[nH+]c1Nc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001159122666 1132810675 /nfs/dbraw/zinc/81/06/75/1132810675.db2.gz IXBFBXWZRDOABO-HNNXBMFYSA-N 2 1 292.386 3.741 20 0 CHADMP Cc1cc[nH+]c(C)c1Nc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001159203495 1132815031 /nfs/dbraw/zinc/81/50/31/1132815031.db2.gz FUGJJAWCDVBKDP-INIZCTEOSA-N 2 1 267.376 3.867 20 0 CHADMP CC(C)[PH+](CCNc1nc(NC2CC2)cc[nH+]1)C(C)C ZINC001162359013 1133071187 /nfs/dbraw/zinc/07/11/87/1133071187.db2.gz XETFLNQCOMDQES-UHFFFAOYSA-N 2 1 294.383 3.762 20 0 CHADMP Cc1cc([NH+]2CCCCC2)ccc1N[C@H]1CCC[C@H]([NH3+])C1 ZINC001162404568 1133075038 /nfs/dbraw/zinc/07/50/38/1133075038.db2.gz OIROYJFHNVSBLE-HOTGVXAUSA-N 2 1 287.451 3.667 20 0 CHADMP Cc1cc(-n2ccc3cc([C@@H](C)[NH3+])ccc32)c2[nH+]ccn2c1 ZINC001162907719 1133120842 /nfs/dbraw/zinc/12/08/42/1133120842.db2.gz GGPGCYYLXMAYSB-CYBMUJFWSA-N 2 1 290.370 3.606 20 0 CHADMP Cc1cc([NH+]2CCCCC2)ccc1N(CCC[NH3+])C(C)C ZINC001164129035 1133199483 /nfs/dbraw/zinc/19/94/83/1133199483.db2.gz UWUOQPNTNNJWPM-UHFFFAOYSA-N 2 1 289.467 3.549 20 0 CHADMP C[NH+]1CCC(C2CCN(c3cc(C4CC4)cc[nH+]3)CC2)CC1 ZINC001165065980 1133228313 /nfs/dbraw/zinc/22/83/13/1133228313.db2.gz RTCAMXREOHTAET-UHFFFAOYSA-N 2 1 299.462 3.517 20 0 CHADMP c1[nH+]c2ccccn2c1Nc1ccc(C[NH+]2CCCC2)cc1 ZINC001203786803 1133368424 /nfs/dbraw/zinc/36/84/24/1133368424.db2.gz UNQOLDDZCKODHB-UHFFFAOYSA-N 2 1 292.386 3.674 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc(C)c2)CC1 ZINC001203894368 1133381614 /nfs/dbraw/zinc/38/16/14/1133381614.db2.gz QOPIONUGCVCUPM-UHFFFAOYSA-N 2 1 274.452 3.691 20 0 CHADMP C[N@H+](Cc1cccs1)C1CC[NH+](C2CCCCC2)CC1 ZINC001204017499 1133398869 /nfs/dbraw/zinc/39/88/69/1133398869.db2.gz QNSOUJYDGVNQOA-UHFFFAOYSA-N 2 1 292.492 3.977 20 0 CHADMP C[N@@H+](Cc1cccs1)C1CC[NH+](C2CCCCC2)CC1 ZINC001204017499 1133398875 /nfs/dbraw/zinc/39/88/75/1133398875.db2.gz QNSOUJYDGVNQOA-UHFFFAOYSA-N 2 1 292.492 3.977 20 0 CHADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001204103946 1133408091 /nfs/dbraw/zinc/40/80/91/1133408091.db2.gz NNIPARTYPWQMBZ-LBPRGKRZSA-N 2 1 286.822 3.689 20 0 CHADMP CC[NH+](CC)C1CC[NH+](Cc2c(C)[nH]c3ccccc32)CC1 ZINC001204287873 1133428781 /nfs/dbraw/zinc/42/87/81/1133428781.db2.gz FPXXWFLHJIPSQU-UHFFFAOYSA-N 2 1 299.462 3.783 20 0 CHADMP CC(C)(C)[N@@H+](CCCCCC[NH3+])Cc1ccccc1 ZINC001204604401 1133466647 /nfs/dbraw/zinc/46/66/47/1133466647.db2.gz MDWRGQUMZNAZQM-UHFFFAOYSA-N 2 1 262.441 3.806 20 0 CHADMP C(CC1CCCCC1)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727886 1133479764 /nfs/dbraw/zinc/47/97/64/1133479764.db2.gz UOACRGNVEAABKD-UHFFFAOYSA-N 2 1 278.484 3.813 20 0 CHADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC001205110712 1133531466 /nfs/dbraw/zinc/53/14/66/1133531466.db2.gz YZCPNBJIQOLLQH-GOSISDBHSA-N 2 1 292.426 3.571 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205117366 1133531875 /nfs/dbraw/zinc/53/18/75/1133531875.db2.gz OYARFVHUJRRNRB-QGZVFWFLSA-N 2 1 274.452 3.687 20 0 CHADMP C[C@H]1C[N@@H+](Cc2cccc3c4ccccc4oc32)C[C@H]1C[NH3+] ZINC001205140245 1133534871 /nfs/dbraw/zinc/53/48/71/1133534871.db2.gz DRPXNINNIBZZEG-DZGCQCFKSA-N 2 1 294.398 3.613 20 0 CHADMP C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC001205164628 1133539117 /nfs/dbraw/zinc/53/91/17/1133539117.db2.gz JSACXPUJCZEJDD-CYBMUJFWSA-N 2 1 298.455 3.513 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)Cc2ccccc21 ZINC001205164417 1133539809 /nfs/dbraw/zinc/53/98/09/1133539809.db2.gz FSAZPDRAHTUUKX-CYBMUJFWSA-N 2 1 298.455 3.513 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205255490 1133549873 /nfs/dbraw/zinc/54/98/73/1133549873.db2.gz JMTGJCFPRYGUNC-IRXDYDNUSA-N 2 1 266.473 3.962 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CCC[C@@](C)([NH3+])CC3)cc2)o1 ZINC001205281798 1133554738 /nfs/dbraw/zinc/55/47/38/1133554738.db2.gz YIMKZTPHYNHYFX-LJQANCHMSA-N 2 1 298.430 3.958 20 0 CHADMP CCSc1ccccc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205296406 1133556131 /nfs/dbraw/zinc/55/61/31/1133556131.db2.gz OMDSFMVWAASEEZ-INIZCTEOSA-N 2 1 278.465 3.502 20 0 CHADMP Cc1c(C[N@@H+]2CC[NH2+]CC[C@@H]2C)cccc1-c1ccccc1 ZINC001205333311 1133563546 /nfs/dbraw/zinc/56/35/46/1133563546.db2.gz ZTRVRQKBTLWUDZ-INIZCTEOSA-N 2 1 294.442 3.846 20 0 CHADMP C[C@@H](CC[N@H+]1CCC[C@@](F)(C[NH3+])CC1)CC(C)(C)C ZINC001205545765 1133586847 /nfs/dbraw/zinc/58/68/47/1133586847.db2.gz MYDZFPZXXJVDAE-HOCLYGCPSA-N 2 1 272.452 3.602 20 0 CHADMP CCCc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)s1 ZINC001205617575 1133596011 /nfs/dbraw/zinc/59/60/11/1133596011.db2.gz LBRNDMCURAVPIH-KGLIPLIRSA-N 2 1 280.481 3.507 20 0 CHADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc(C)c1Cl ZINC001205652625 1133599340 /nfs/dbraw/zinc/59/93/40/1133599340.db2.gz QEEDVYOQOCSJQJ-MLGOLLRUSA-N 2 1 294.870 3.764 20 0 CHADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc(C)c1Cl ZINC001205652622 1133599835 /nfs/dbraw/zinc/59/98/35/1133599835.db2.gz QEEDVYOQOCSJQJ-BLLLJJGKSA-N 2 1 294.870 3.764 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)CCc1ccc(C)c(C)c1 ZINC001205697099 1133603627 /nfs/dbraw/zinc/60/36/27/1133603627.db2.gz TXBJZVIEUWHRCA-UHFFFAOYSA-N 2 1 276.468 3.510 20 0 CHADMP Cc1ccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c2ccccc12 ZINC001205819084 1133619077 /nfs/dbraw/zinc/61/90/77/1133619077.db2.gz WWQBKVVSUAUMPP-YOEHRIQHSA-N 2 1 282.431 3.707 20 0 CHADMP Cc1ccc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c2ccccc12 ZINC001205819084 1133619080 /nfs/dbraw/zinc/61/90/80/1133619080.db2.gz WWQBKVVSUAUMPP-YOEHRIQHSA-N 2 1 282.431 3.707 20 0 CHADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001205828954 1133619862 /nfs/dbraw/zinc/61/98/62/1133619862.db2.gz NLVGKBWPLSSXPW-VQIMIIECSA-N 2 1 294.442 3.913 20 0 CHADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001205828954 1133619863 /nfs/dbraw/zinc/61/98/63/1133619863.db2.gz NLVGKBWPLSSXPW-VQIMIIECSA-N 2 1 294.442 3.913 20 0 CHADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc2c(F)cccc12 ZINC001205914490 1133630376 /nfs/dbraw/zinc/63/03/76/1133630376.db2.gz MMHVVNJVTHOLCH-UONOGXRCSA-N 2 1 286.394 3.538 20 0 CHADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc(-c2ccccc2)c1 ZINC001205915569 1133630446 /nfs/dbraw/zinc/63/04/46/1133630446.db2.gz PSEGBBYBFUEEBS-JXFKEZNVSA-N 2 1 294.442 3.913 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1 ZINC001205915631 1133630496 /nfs/dbraw/zinc/63/04/96/1133630496.db2.gz QBHYTVOJOALMKM-WBVHZDCISA-N 2 1 288.479 3.933 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC001205996043 1133638927 /nfs/dbraw/zinc/63/89/27/1133638927.db2.gz UEDOTMDRSFHPMJ-CABCVRRESA-N 2 1 294.508 3.898 20 0 CHADMP C[C@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2)CCC[C@@H]1C[NH3+] ZINC001206005230 1133639745 /nfs/dbraw/zinc/63/97/45/1133639745.db2.gz XDQHWSRGWNRKGE-DOTOQJQBSA-N 2 1 288.479 3.791 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC001206084052 1133655287 /nfs/dbraw/zinc/65/52/87/1133655287.db2.gz CSZPPTJWZXQTGJ-IKGGRYGDSA-N 2 1 268.489 3.911 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC001206084052 1133655289 /nfs/dbraw/zinc/65/52/89/1133655289.db2.gz CSZPPTJWZXQTGJ-IKGGRYGDSA-N 2 1 268.489 3.911 20 0 CHADMP CCCC[C@@H](CC)C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206541915 1133715626 /nfs/dbraw/zinc/71/56/26/1133715626.db2.gz NJFMKVKNCRPADC-HZPDHXFCSA-N 2 1 254.462 3.654 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](CC)CCC(F)(F)F ZINC001206127984 1133661460 /nfs/dbraw/zinc/66/14/60/1133661460.db2.gz OJTSCQDGEXYBEI-STQMWFEESA-N 2 1 282.394 3.818 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](CC)CCC(F)(F)F ZINC001206127984 1133661462 /nfs/dbraw/zinc/66/14/62/1133661462.db2.gz OJTSCQDGEXYBEI-STQMWFEESA-N 2 1 282.394 3.818 20 0 CHADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)cc2)CC[C@H]1F ZINC001206164238 1133666506 /nfs/dbraw/zinc/66/65/06/1133666506.db2.gz JTSGQDLFFPCPRW-RTBURBONSA-N 2 1 298.405 3.615 20 0 CHADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)CC[C@H]1F ZINC001206164238 1133666508 /nfs/dbraw/zinc/66/65/08/1133666508.db2.gz JTSGQDLFFPCPRW-RTBURBONSA-N 2 1 298.405 3.615 20 0 CHADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC001206257664 1133677407 /nfs/dbraw/zinc/67/74/07/1133677407.db2.gz GWEHXDWVRNWLKE-INIZCTEOSA-N 2 1 280.415 3.537 20 0 CHADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC001206257664 1133677409 /nfs/dbraw/zinc/67/74/09/1133677409.db2.gz GWEHXDWVRNWLKE-INIZCTEOSA-N 2 1 280.415 3.537 20 0 CHADMP CC[C@@H]1CCC[C@@H](C[NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC001206256210 1133677957 /nfs/dbraw/zinc/67/79/57/1133677957.db2.gz NHVJEEKSEHJSFE-HZPDHXFCSA-N 2 1 266.473 3.667 20 0 CHADMP CC[C@@H]1CCC[C@@H](C[NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC001206256210 1133677960 /nfs/dbraw/zinc/67/79/60/1133677960.db2.gz NHVJEEKSEHJSFE-HZPDHXFCSA-N 2 1 266.473 3.667 20 0 CHADMP Cc1ccc(-c2cccc(C[N@H+]3CC[NH2+]C[C@H](C)C3)c2)cc1 ZINC001206276217 1133680675 /nfs/dbraw/zinc/68/06/75/1133680675.db2.gz CHEIDIUQLBMPGV-KRWDZBQOSA-N 2 1 294.442 3.703 20 0 CHADMP Cc1ccc(-c2cccc(C[N@@H+]3CC[NH2+]C[C@H](C)C3)c2)cc1 ZINC001206276217 1133680677 /nfs/dbraw/zinc/68/06/77/1133680677.db2.gz CHEIDIUQLBMPGV-KRWDZBQOSA-N 2 1 294.442 3.703 20 0 CHADMP CC(C)c1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1 ZINC001206292458 1133684725 /nfs/dbraw/zinc/68/47/25/1133684725.db2.gz BGDDJHCGFDACTI-GOSISDBHSA-N 2 1 274.452 3.761 20 0 CHADMP Cc1ccc(F)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1Cl ZINC001206303206 1133686720 /nfs/dbraw/zinc/68/67/20/1133686720.db2.gz CWHHECHSOJKFMN-INIZCTEOSA-N 2 1 298.833 3.738 20 0 CHADMP Cc1ccc(Cl)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1F ZINC001206303700 1133687170 /nfs/dbraw/zinc/68/71/70/1133687170.db2.gz GCWMMMVHENTKTB-MRXNPFEDSA-N 2 1 298.833 3.738 20 0 CHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(C(F)F)cc2)CC1 ZINC001206312041 1133687487 /nfs/dbraw/zinc/68/74/87/1133687487.db2.gz YGKIFXGJKZMBPJ-MRXNPFEDSA-N 2 1 282.378 3.575 20 0 CHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccccc2C(F)F)CC1 ZINC001206311613 1133687947 /nfs/dbraw/zinc/68/79/47/1133687947.db2.gz RIUWGFMOOLACQZ-MRXNPFEDSA-N 2 1 282.378 3.575 20 0 CHADMP Cc1cc(F)cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1Cl ZINC001206326846 1133689823 /nfs/dbraw/zinc/68/98/23/1133689823.db2.gz PSVYWUNHWUKXMX-INIZCTEOSA-N 2 1 298.833 3.738 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(F)c3ccoc32)CC1 ZINC001206324433 1133689973 /nfs/dbraw/zinc/68/99/73/1133689973.db2.gz BGSGOJXEOOFEQZ-KRWDZBQOSA-N 2 1 290.382 3.523 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc3cccccc2-3)CC1 ZINC001206325730 1133690047 /nfs/dbraw/zinc/69/00/47/1133690047.db2.gz IHXQWMPWRLKOJS-IBGZPJMESA-N 2 1 282.431 3.742 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206334897 1133691567 /nfs/dbraw/zinc/69/15/67/1133691567.db2.gz ALSSUPRSAPSOGS-HZPDHXFCSA-N 2 1 270.436 3.522 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206334897 1133691569 /nfs/dbraw/zinc/69/15/69/1133691569.db2.gz ALSSUPRSAPSOGS-HZPDHXFCSA-N 2 1 270.436 3.522 20 0 CHADMP CC1=CC[C@@H](CC[N@@H+]2CCCC[C@](F)(C[NH3+])C2)C1(C)C ZINC001206338256 1133691780 /nfs/dbraw/zinc/69/17/80/1133691780.db2.gz YQXWQXORFCIKSB-RDJZCZTQSA-N 2 1 282.447 3.522 20 0 CHADMP CC1=CC[C@@H](CC[N@H+]2CCCC[C@](F)(C[NH3+])C2)C1(C)C ZINC001206338256 1133691783 /nfs/dbraw/zinc/69/17/83/1133691783.db2.gz YQXWQXORFCIKSB-RDJZCZTQSA-N 2 1 282.447 3.522 20 0 CHADMP CCC[NH+](CCC)c1ccc(N[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001206523330 1133714074 /nfs/dbraw/zinc/71/40/74/1133714074.db2.gz JUQMLPFOTZGMNJ-KRWDZBQOSA-N 2 1 289.467 3.819 20 0 CHADMP C[C@]1(C[NH3+])CCCC[N@@H+](CCCc2cccc(Cl)c2)C1 ZINC001206542007 1133715696 /nfs/dbraw/zinc/71/56/96/1133715696.db2.gz PBFGTYFDQUVICS-QGZVFWFLSA-N 2 1 294.870 3.724 20 0 CHADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC001206549450 1133717176 /nfs/dbraw/zinc/71/71/76/1133717176.db2.gz NGODIUJIOMAJSY-INIZCTEOSA-N 2 1 282.378 3.575 20 0 CHADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc3sccc32)C1 ZINC001206572053 1133719219 /nfs/dbraw/zinc/71/92/19/1133719219.db2.gz ADFJYIOKJHKSHM-QGZVFWFLSA-N 2 1 288.460 3.852 20 0 CHADMP CC/C=C\CCC[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206580499 1133722370 /nfs/dbraw/zinc/72/23/70/1133722370.db2.gz DACYALWUTPIKKF-OGZRUICASA-N 2 1 252.446 3.585 20 0 CHADMP Cc1ccc([C@@H](C)CC[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)o1 ZINC001206580929 1133722257 /nfs/dbraw/zinc/72/22/57/1133722257.db2.gz GNWAUIDVDOVEFQ-DOTOQJQBSA-N 2 1 292.467 3.934 20 0 CHADMP Cc1ccc2c(C[N@H+](C(C)C)[C@H]3CCC[NH2+]CC3)c[nH]c2c1 ZINC001206582188 1133722605 /nfs/dbraw/zinc/72/26/05/1133722605.db2.gz MXBAOLUDSWKFEL-KRWDZBQOSA-N 2 1 299.462 3.829 20 0 CHADMP CC(C)[N@@H+](Cc1cccc2c1CCC2)[C@H]1CCC[NH2+]CC1 ZINC001206607210 1133726483 /nfs/dbraw/zinc/72/64/83/1133726483.db2.gz XVZCZXZVSPJUJC-SFHVURJKSA-N 2 1 286.463 3.528 20 0 CHADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206606581 1133726554 /nfs/dbraw/zinc/72/65/54/1133726554.db2.gz PYWPPOWDSWDBMO-IRXDYDNUSA-N 2 1 298.515 3.669 20 0 CHADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1CC1(c2ccccc2)CCCC1 ZINC001206760536 1133743448 /nfs/dbraw/zinc/74/34/48/1133743448.db2.gz JCRAOKMRKWHCLY-SJORKVTESA-N 2 1 286.463 3.558 20 0 CHADMP C[C@H](CC[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C)CC(C)(C)C ZINC001206760926 1133743921 /nfs/dbraw/zinc/74/39/21/1133743921.db2.gz OGMNEGGPDVROSS-RBSFLKMASA-N 2 1 254.462 3.508 20 0 CHADMP C[C@H](CC[N@H+]1C[C@H](C[NH3+])CC[C@H]1C)CC(C)(C)C ZINC001206760924 1133743894 /nfs/dbraw/zinc/74/38/94/1133743894.db2.gz OGMNEGGPDVROSS-KFWWJZLASA-N 2 1 254.462 3.508 20 0 CHADMP FC(F)(F)CCC[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001207184840 1133777203 /nfs/dbraw/zinc/77/72/03/1133777203.db2.gz MHAIUNJWUGHDDV-AWEZNQCLSA-N 2 1 292.389 3.716 20 0 CHADMP FC(F)(F)CCC[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001207184840 1133777208 /nfs/dbraw/zinc/77/72/08/1133777208.db2.gz MHAIUNJWUGHDDV-AWEZNQCLSA-N 2 1 292.389 3.716 20 0 CHADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC001207291797 1133788139 /nfs/dbraw/zinc/78/81/39/1133788139.db2.gz YVIXGFSSXRDMMD-UHFFFAOYSA-N 2 1 274.452 3.629 20 0 CHADMP CC[N@@H+](Cc1cccc(F)c1F)CC1(C)CC[NH+](C)CC1 ZINC001208112151 1133876311 /nfs/dbraw/zinc/87/63/11/1133876311.db2.gz RYVHYQJZSODBHU-UHFFFAOYSA-N 2 1 296.405 3.519 20 0 CHADMP CC[C@@H](c1ccccc1)[N@@H+](C)CC1(C)CC[NH+](C)CC1 ZINC001208108556 1133876669 /nfs/dbraw/zinc/87/66/69/1133876669.db2.gz FKBPCHWYCDOMHI-KRWDZBQOSA-N 2 1 274.452 3.801 20 0 CHADMP Cc1ccc([C@H]2CCC[N@@H+]2CC2(C)CC[NH+](C)CC2)cc1 ZINC001208105810 1133877422 /nfs/dbraw/zinc/87/74/22/1133877422.db2.gz CUZQHISCRPWVMZ-GOSISDBHSA-N 2 1 286.463 3.864 20 0 CHADMP CC[N@@H+](Cc1ccc(Cl)cc1)CC1(C)CC[NH+](C)CC1 ZINC001208109868 1133877460 /nfs/dbraw/zinc/87/74/60/1133877460.db2.gz UJSTVFWXFPZBLZ-UHFFFAOYSA-N 2 1 294.870 3.894 20 0 CHADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC001208112118 1133877619 /nfs/dbraw/zinc/87/76/19/1133877619.db2.gz QPVUXPUPFFSBMI-QGZVFWFLSA-N 2 1 290.426 3.695 20 0 CHADMP C[NH+](C)CC1(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)CCCC1 ZINC001208187784 1133902124 /nfs/dbraw/zinc/90/21/24/1133902124.db2.gz OZWXIXKKCKBFJR-CALCHBBNSA-N 2 1 298.474 3.695 20 0 CHADMP CC/C=C\CCCCC[N@@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001208193894 1133904019 /nfs/dbraw/zinc/90/40/19/1133904019.db2.gz GXESVTSFDICLAR-SPCWZHTESA-N 2 1 278.484 3.787 20 0 CHADMP CC/C=C\CCCCC[N@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001208193894 1133904025 /nfs/dbraw/zinc/90/40/25/1133904025.db2.gz GXESVTSFDICLAR-SPCWZHTESA-N 2 1 278.484 3.787 20 0 CHADMP COC(C)(C)CCC[C@H](C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001208201515 1133905853 /nfs/dbraw/zinc/90/58/53/1133905853.db2.gz FNMYDFYAHYYORK-INIZCTEOSA-N 2 1 298.515 3.634 20 0 CHADMP COC(C)(C)CCC[C@H](C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001208201515 1133905857 /nfs/dbraw/zinc/90/58/57/1133905857.db2.gz FNMYDFYAHYYORK-INIZCTEOSA-N 2 1 298.515 3.634 20 0 CHADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@H]2c2ccc(Cl)s2)C1 ZINC001208613263 1133918108 /nfs/dbraw/zinc/91/81/08/1133918108.db2.gz SWSUWLWZYVOLOC-OLZOCXBDSA-N 2 1 298.883 3.880 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@H]2c2ccc(Cl)s2)C1 ZINC001208613263 1133918111 /nfs/dbraw/zinc/91/81/11/1133918111.db2.gz SWSUWLWZYVOLOC-OLZOCXBDSA-N 2 1 298.883 3.880 20 0 CHADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2ccc(Cl)s2)C1 ZINC001208613263 1133918115 /nfs/dbraw/zinc/91/81/15/1133918115.db2.gz SWSUWLWZYVOLOC-OLZOCXBDSA-N 2 1 298.883 3.880 20 0 CHADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@H]2c2ccc(Cl)s2)C1 ZINC001208613263 1133918119 /nfs/dbraw/zinc/91/81/19/1133918119.db2.gz SWSUWLWZYVOLOC-OLZOCXBDSA-N 2 1 298.883 3.880 20 0 CHADMP C[N@H+]1CCC[C@@H](CN2CCC[C@H]2c2ccc(Cl)s2)C1 ZINC001208613263 1133918097 /nfs/dbraw/zinc/91/80/97/1133918097.db2.gz SWSUWLWZYVOLOC-OLZOCXBDSA-N 2 1 298.883 3.880 20 0 CHADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@H]2c2cccc(Cl)c2)C1 ZINC001208618520 1133918855 /nfs/dbraw/zinc/91/88/55/1133918855.db2.gz XUQWISYWTLKKQC-PBHICJAKSA-N 2 1 292.854 3.819 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@H]2c2cccc(Cl)c2)C1 ZINC001208618520 1133918862 /nfs/dbraw/zinc/91/88/62/1133918862.db2.gz XUQWISYWTLKKQC-PBHICJAKSA-N 2 1 292.854 3.819 20 0 CHADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)C1 ZINC001208618520 1133918869 /nfs/dbraw/zinc/91/88/69/1133918869.db2.gz XUQWISYWTLKKQC-PBHICJAKSA-N 2 1 292.854 3.819 20 0 CHADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)C1 ZINC001208618520 1133918871 /nfs/dbraw/zinc/91/88/71/1133918871.db2.gz XUQWISYWTLKKQC-PBHICJAKSA-N 2 1 292.854 3.819 20 0 CHADMP Cc1c[nH+]c2n1CCC21CC[NH+](CCC2CCCC2)CC1 ZINC001208692861 1133928629 /nfs/dbraw/zinc/92/86/29/1133928629.db2.gz DHURIWPRAALKDX-UHFFFAOYSA-N 2 1 287.451 3.509 20 0 CHADMP CC[NH+](CC)C1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC001208741438 1133939028 /nfs/dbraw/zinc/93/90/28/1133939028.db2.gz ZXNOTINZOIGZCK-UHFFFAOYSA-N 2 1 294.870 3.689 20 0 CHADMP CN1CCC[C@@H]2C[N@@H+](CC3(c4ccccc4)CCCC3)C[C@H]21 ZINC001208779286 1133944401 /nfs/dbraw/zinc/94/44/01/1133944401.db2.gz HJJIXUPUFGQNQL-IEBWSBKVSA-N 2 1 298.474 3.524 20 0 CHADMP CC[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208935026 1133965843 /nfs/dbraw/zinc/96/58/43/1133965843.db2.gz HQFPGQZGKFGZAI-OALUTQOASA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@H]1CCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208935026 1133965847 /nfs/dbraw/zinc/96/58/47/1133965847.db2.gz HQFPGQZGKFGZAI-OALUTQOASA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@H]1CCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208935026 1133965849 /nfs/dbraw/zinc/96/58/49/1133965849.db2.gz HQFPGQZGKFGZAI-OALUTQOASA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@H]1CCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208935026 1133965852 /nfs/dbraw/zinc/96/58/52/1133965852.db2.gz HQFPGQZGKFGZAI-OALUTQOASA-N 2 1 286.463 3.773 20 0 CHADMP C[C@H]1C[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C2(CC2)C1 ZINC001208942090 1133966113 /nfs/dbraw/zinc/96/61/13/1133966113.db2.gz GFDIDZBZZPBNLT-MJGOQNOKSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@H]1C[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C2(CC2)C1 ZINC001208942090 1133966115 /nfs/dbraw/zinc/96/61/15/1133966115.db2.gz GFDIDZBZZPBNLT-MJGOQNOKSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@H]1C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C2(CC2)C1 ZINC001208942090 1133966117 /nfs/dbraw/zinc/96/61/17/1133966117.db2.gz GFDIDZBZZPBNLT-MJGOQNOKSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@H]1C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C2(CC2)C1 ZINC001208942090 1133966120 /nfs/dbraw/zinc/96/61/20/1133966120.db2.gz GFDIDZBZZPBNLT-MJGOQNOKSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@@H]1C[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C2(CC2)C1 ZINC001208942088 1133966143 /nfs/dbraw/zinc/96/61/43/1133966143.db2.gz GFDIDZBZZPBNLT-HKUYNNGSSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C2(CC2)C1 ZINC001208942088 1133966146 /nfs/dbraw/zinc/96/61/46/1133966146.db2.gz GFDIDZBZZPBNLT-HKUYNNGSSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@@H]1C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C2(CC2)C1 ZINC001208942088 1133966150 /nfs/dbraw/zinc/96/61/50/1133966150.db2.gz GFDIDZBZZPBNLT-HKUYNNGSSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@@H]1C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C2(CC2)C1 ZINC001208942088 1133966153 /nfs/dbraw/zinc/96/61/53/1133966153.db2.gz GFDIDZBZZPBNLT-HKUYNNGSSA-N 2 1 298.474 3.773 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCC4(CCCC4)C3)C2)cc1 ZINC001208951116 1133966629 /nfs/dbraw/zinc/96/66/29/1133966629.db2.gz YVVYRRKBAFLHCZ-IBGZPJMESA-N 2 1 298.474 3.775 20 0 CHADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CCC4(CCCC4)C3)C2)cc1 ZINC001208951116 1133966634 /nfs/dbraw/zinc/96/66/34/1133966634.db2.gz YVVYRRKBAFLHCZ-IBGZPJMESA-N 2 1 298.474 3.775 20 0 CHADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CCC4(CCCC4)C3)C2)cc1 ZINC001208951116 1133966638 /nfs/dbraw/zinc/96/66/38/1133966638.db2.gz YVVYRRKBAFLHCZ-IBGZPJMESA-N 2 1 298.474 3.775 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCC34CCCC4)C2)cc1 ZINC001208944661 1133967352 /nfs/dbraw/zinc/96/73/52/1133967352.db2.gz YHMFCDRYZARKSL-SFHVURJKSA-N 2 1 284.447 3.527 20 0 CHADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CCC34CCCC4)C2)cc1 ZINC001208944661 1133967354 /nfs/dbraw/zinc/96/73/54/1133967354.db2.gz YHMFCDRYZARKSL-SFHVURJKSA-N 2 1 284.447 3.527 20 0 CHADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CCC34CCCC4)C2)cc1 ZINC001208944661 1133967356 /nfs/dbraw/zinc/96/73/56/1133967356.db2.gz YHMFCDRYZARKSL-SFHVURJKSA-N 2 1 284.447 3.527 20 0 CHADMP C[C@H]1CCCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208948244 1133967392 /nfs/dbraw/zinc/96/73/92/1133967392.db2.gz PBYIROXJPHTKRQ-HKUYNNGSSA-N 2 1 286.463 3.631 20 0 CHADMP C[C@H]1CCCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208948244 1133967396 /nfs/dbraw/zinc/96/73/96/1133967396.db2.gz PBYIROXJPHTKRQ-HKUYNNGSSA-N 2 1 286.463 3.631 20 0 CHADMP C[C@H]1CCCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208948244 1133967398 /nfs/dbraw/zinc/96/73/98/1133967398.db2.gz PBYIROXJPHTKRQ-HKUYNNGSSA-N 2 1 286.463 3.631 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CC4(C3)CCCC4)C2)cc1 ZINC001208933376 1133967740 /nfs/dbraw/zinc/96/77/40/1133967740.db2.gz VECHIOJKUHYUAN-IBGZPJMESA-N 2 1 298.474 3.775 20 0 CHADMP Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2c[nH+]ccc2N)cc1C ZINC001209732221 1134054982 /nfs/dbraw/zinc/05/49/82/1134054982.db2.gz HUZDZEIONISREO-IBGZPJMESA-N 2 1 295.430 3.838 20 0 CHADMP Cc1ccc([C@@H]2CCCC[N@H+]2Cc2c[nH+]ccc2N)cc1C ZINC001209732221 1134054988 /nfs/dbraw/zinc/05/49/88/1134054988.db2.gz HUZDZEIONISREO-IBGZPJMESA-N 2 1 295.430 3.838 20 0 CHADMP c1[nH]c2ccc(Nc3ccc(C[NH+]4CCCC4)cc3)cc2[nH+]1 ZINC001209847767 1134081835 /nfs/dbraw/zinc/08/18/35/1134081835.db2.gz VFACQLGMGIYEGK-UHFFFAOYSA-N 2 1 292.386 3.902 20 0 CHADMP C[N@@H+]1CCc2ccc(Nc3ccc4c[nH+]ccc4c3)cc2C1 ZINC001210053884 1134136888 /nfs/dbraw/zinc/13/68/88/1134136888.db2.gz PQIKAQHDTPRUMW-UHFFFAOYSA-N 2 1 289.382 3.966 20 0 CHADMP C[N@H+]1CCc2ccc(Nc3ccc4c[nH+]ccc4c3)cc2C1 ZINC001210053884 1134136889 /nfs/dbraw/zinc/13/68/89/1134136889.db2.gz PQIKAQHDTPRUMW-UHFFFAOYSA-N 2 1 289.382 3.966 20 0 CHADMP C[NH2+]Cc1ccc(Nc2ccc3c[nH+]ccc3c2)cc1 ZINC001211129519 1134376040 /nfs/dbraw/zinc/37/60/40/1134376040.db2.gz GBQFAMRCFWERSF-UHFFFAOYSA-N 2 1 263.344 3.698 20 0 CHADMP CCC[C@@H](CC)Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001218215131 1135070096 /nfs/dbraw/zinc/07/00/96/1135070096.db2.gz TXXGAPZASWHBLF-QGZVFWFLSA-N 2 1 290.451 3.567 20 0 CHADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C1 ZINC000311875858 1135131601 /nfs/dbraw/zinc/13/16/01/1135131601.db2.gz ATRWMYGMKIZRPZ-YESZJQIVSA-N 2 1 268.489 3.910 20 0 CHADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC000311875858 1135131603 /nfs/dbraw/zinc/13/16/03/1135131603.db2.gz ATRWMYGMKIZRPZ-YESZJQIVSA-N 2 1 268.489 3.910 20 0 CHADMP COc1ccc2ccccc2c1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000316746205 1135169463 /nfs/dbraw/zinc/16/94/63/1135169463.db2.gz PWKQGWDRJLGPNK-UHFFFAOYSA-N 2 1 298.430 3.550 20 0 CHADMP Fc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c2ccccc12 ZINC001222149039 1135199856 /nfs/dbraw/zinc/19/98/56/1135199856.db2.gz VNNRJXHVDSNHCR-IBGZPJMESA-N 2 1 298.405 3.554 20 0 CHADMP Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc(C)c1Cl ZINC001222153991 1135200371 /nfs/dbraw/zinc/20/03/71/1135200371.db2.gz FCOANJIJMWQXLE-KRWDZBQOSA-N 2 1 292.854 3.532 20 0 CHADMP Cc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc(C)c1Cl ZINC001222153991 1135200377 /nfs/dbraw/zinc/20/03/77/1135200377.db2.gz FCOANJIJMWQXLE-KRWDZBQOSA-N 2 1 292.854 3.532 20 0 CHADMP C1=CC[C@@H](C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CC1 ZINC001222154831 1135200645 /nfs/dbraw/zinc/20/06/45/1135200645.db2.gz RMXAJEUTZMHXIJ-MSOLQXFVSA-N 2 1 276.468 3.589 20 0 CHADMP c1ccc2c(c1)cccc2C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222237781 1135212645 /nfs/dbraw/zinc/21/26/45/1135212645.db2.gz SVWJMCURYIBAMK-LJQANCHMSA-N 2 1 280.415 3.558 20 0 CHADMP CC(C)c1ccccc1C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222250018 1135214860 /nfs/dbraw/zinc/21/48/60/1135214860.db2.gz YXXMLFXRFVZGQA-SFHVURJKSA-N 2 1 272.436 3.528 20 0 CHADMP CC(C)c1ccccc1C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222250018 1135214865 /nfs/dbraw/zinc/21/48/65/1135214865.db2.gz YXXMLFXRFVZGQA-SFHVURJKSA-N 2 1 272.436 3.528 20 0 CHADMP CC1=CC[C@@H](CC[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)C1(C)C ZINC001222259153 1135216265 /nfs/dbraw/zinc/21/62/65/1135216265.db2.gz LLPKMXFLLYOCBL-PKOBYXMFSA-N 2 1 290.495 3.835 20 0 CHADMP CC(C)c1cccc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)c1 ZINC001222297638 1135220000 /nfs/dbraw/zinc/22/00/00/1135220000.db2.gz JLYPAPRTLLAVTG-UHFFFAOYSA-N 2 1 286.463 3.918 20 0 CHADMP Fc1c(Cl)cccc1C[N@@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222314825 1135224603 /nfs/dbraw/zinc/22/46/03/1135224603.db2.gz IXIRBKLFEUNKLU-MRXNPFEDSA-N 2 1 296.817 3.587 20 0 CHADMP Fc1c(Cl)cccc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222314825 1135224605 /nfs/dbraw/zinc/22/46/05/1135224605.db2.gz IXIRBKLFEUNKLU-MRXNPFEDSA-N 2 1 296.817 3.587 20 0 CHADMP c1cc(C2CC2)ccc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222321570 1135225037 /nfs/dbraw/zinc/22/50/37/1135225037.db2.gz ZCCZNOBWOLSVGT-LJQANCHMSA-N 2 1 284.447 3.672 20 0 CHADMP c1cc2c(cccc2C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)o1 ZINC001222321423 1135225469 /nfs/dbraw/zinc/22/54/69/1135225469.db2.gz VVZCPHBOEOCSSD-GOSISDBHSA-N 2 1 284.403 3.541 20 0 CHADMP Cc1ccc(Cl)c(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222320756 1135225555 /nfs/dbraw/zinc/22/55/55/1135225555.db2.gz MQABMWGTWKAHCN-KRWDZBQOSA-N 2 1 292.854 3.757 20 0 CHADMP CC/C=C\CCCCCC[NH+]1CC2(C1)CCC[NH2+]C2 ZINC001222335397 1135227844 /nfs/dbraw/zinc/22/78/44/1135227844.db2.gz KQRFEFDJASWTQR-ARJAWSKDSA-N 2 1 264.457 3.589 20 0 CHADMP CC(C)c1ccc(CC[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222345063 1135230171 /nfs/dbraw/zinc/23/01/71/1135230171.db2.gz HSMLJJTWIFHUCN-LJQANCHMSA-N 2 1 286.463 3.571 20 0 CHADMP CC(C)c1ccc(CC[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222345063 1135230174 /nfs/dbraw/zinc/23/01/74/1135230174.db2.gz HSMLJJTWIFHUCN-LJQANCHMSA-N 2 1 286.463 3.571 20 0 CHADMP C[C@H](C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)c1cccc2ccccc21 ZINC001222465821 1135244558 /nfs/dbraw/zinc/24/45/58/1135244558.db2.gz ZLDJWSNUEWOOIM-UZLBHIALSA-N 2 1 294.442 3.771 20 0 CHADMP C[C@H](C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)c1cccc2ccccc21 ZINC001222465821 1135244565 /nfs/dbraw/zinc/24/45/65/1135244565.db2.gz ZLDJWSNUEWOOIM-UZLBHIALSA-N 2 1 294.442 3.771 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000353453211 529806999 /nfs/dbraw/zinc/80/69/99/529806999.db2.gz FDMPLUIJUZJSGG-RDGPPVDQSA-N 2 1 284.447 3.526 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccc(Cl)s1 ZINC000163301110 261311791 /nfs/dbraw/zinc/31/17/91/261311791.db2.gz VRKCLSUAUYOPFT-RYUDHWBXSA-N 2 1 286.872 3.784 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CCCCCC1 ZINC000169046093 335019574 /nfs/dbraw/zinc/01/95/74/335019574.db2.gz WQNOLHNEIIOKFH-USXIJHARSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)C1CCCCCC1 ZINC000169046093 335019575 /nfs/dbraw/zinc/01/95/75/335019575.db2.gz WQNOLHNEIIOKFH-USXIJHARSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cc2ccccc2s1 ZINC000347111856 532997634 /nfs/dbraw/zinc/99/76/34/532997634.db2.gz QCHQNAZIWZJYAT-IUODEOHRSA-N 2 1 274.433 3.603 20 0 CHADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cc2ccccc2s1 ZINC000347111856 532997637 /nfs/dbraw/zinc/99/76/37/532997637.db2.gz QCHQNAZIWZJYAT-IUODEOHRSA-N 2 1 274.433 3.603 20 0 CHADMP CCC[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000187689078 260004980 /nfs/dbraw/zinc/00/49/80/260004980.db2.gz KSBDOPCSOLVTRR-WMZOPIPTSA-N 2 1 274.452 3.629 20 0 CHADMP CCC[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000187689078 260004981 /nfs/dbraw/zinc/00/49/81/260004981.db2.gz KSBDOPCSOLVTRR-WMZOPIPTSA-N 2 1 274.452 3.629 20 0 CHADMP Cc1cccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192926001 227386315 /nfs/dbraw/zinc/38/63/15/227386315.db2.gz CKQLKOFXAZLCAE-HXUWFJFHSA-N 2 1 294.442 3.607 20 0 CHADMP CCc1oc2ccccc2c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347110121 226053726 /nfs/dbraw/zinc/05/37/26/226053726.db2.gz PCVVURRKOWFGAY-YIONKMFJSA-N 2 1 298.430 3.710 20 0 CHADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192934490 227395821 /nfs/dbraw/zinc/39/58/21/227395821.db2.gz JCFBJZKGPWRUQG-NEWSRXKRSA-N 2 1 286.463 3.677 20 0 CHADMP Cc1cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c(C)s1 ZINC000353649333 228138500 /nfs/dbraw/zinc/13/85/00/228138500.db2.gz SDDINNIHXCGTCH-INIZCTEOSA-N 2 1 280.481 3.671 20 0 CHADMP Cc1cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c(C)s1 ZINC000353649333 228138503 /nfs/dbraw/zinc/13/85/03/228138503.db2.gz SDDINNIHXCGTCH-INIZCTEOSA-N 2 1 280.481 3.671 20 0 CHADMP Cc1cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c(C)s1 ZINC000353649333 228138506 /nfs/dbraw/zinc/13/85/06/228138506.db2.gz SDDINNIHXCGTCH-INIZCTEOSA-N 2 1 280.481 3.671 20 0 CHADMP Cc1cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c(C)s1 ZINC000353649333 228138509 /nfs/dbraw/zinc/13/85/09/228138509.db2.gz SDDINNIHXCGTCH-INIZCTEOSA-N 2 1 280.481 3.671 20 0 CHADMP CC(C)C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000037649389 260115203 /nfs/dbraw/zinc/11/52/03/260115203.db2.gz DBPKWUUGGDONMT-QFBILLFUSA-N 2 1 286.463 3.848 20 0 CHADMP CC(C)C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000037649391 260115448 /nfs/dbraw/zinc/11/54/48/260115448.db2.gz DBPKWUUGGDONMT-VQIMIIECSA-N 2 1 286.463 3.848 20 0 CHADMP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312851862 260212312 /nfs/dbraw/zinc/21/23/12/260212312.db2.gz QLIKGKKTVHNCIW-UXLLHSPISA-N 2 1 292.854 3.723 20 0 CHADMP CCC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)C1CCCC1 ZINC000449166260 260268734 /nfs/dbraw/zinc/26/87/34/260268734.db2.gz ZLCCFUJFWHZCRL-QGZVFWFLSA-N 2 1 277.456 3.920 20 0 CHADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)c2ccccc21 ZINC000132089189 260467884 /nfs/dbraw/zinc/46/78/84/260467884.db2.gz FSDTZGDJJKDXSD-HZPDHXFCSA-N 2 1 272.779 3.574 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152467728 261064321 /nfs/dbraw/zinc/06/43/21/261064321.db2.gz RBDBHVOXEIJBHP-RHSMWYFYSA-N 2 1 278.415 3.550 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152467728 261064322 /nfs/dbraw/zinc/06/43/22/261064322.db2.gz RBDBHVOXEIJBHP-RHSMWYFYSA-N 2 1 278.415 3.550 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152467728 261064323 /nfs/dbraw/zinc/06/43/23/261064323.db2.gz RBDBHVOXEIJBHP-RHSMWYFYSA-N 2 1 278.415 3.550 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152467728 261064324 /nfs/dbraw/zinc/06/43/24/261064324.db2.gz RBDBHVOXEIJBHP-RHSMWYFYSA-N 2 1 278.415 3.550 20 0 CHADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000152692686 261068275 /nfs/dbraw/zinc/06/82/75/261068275.db2.gz DZEMBLRJCSPTNO-KDOFPFPSSA-N 2 1 284.447 3.760 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)[C@@H]1CCCC[C@@H]1C ZINC000449072097 261148150 /nfs/dbraw/zinc/14/81/50/261148150.db2.gz JEUYWDHPLDAPGQ-JYYAWHABSA-N 2 1 277.456 3.632 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)[C@@H]1CCCC[C@H]1C ZINC000449072100 261148339 /nfs/dbraw/zinc/14/83/39/261148339.db2.gz JEUYWDHPLDAPGQ-KCYZZUKISA-N 2 1 277.456 3.632 20 0 CHADMP CCSCC[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000368421399 261232408 /nfs/dbraw/zinc/23/24/08/261232408.db2.gz ZVXRLSYLZKNLTP-HNNXBMFYSA-N 2 1 292.492 3.555 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)c2ccccc2Cl)CC[N@H+]1C ZINC000164121288 261340795 /nfs/dbraw/zinc/34/07/95/261340795.db2.gz UCTXWRFVPMTUGV-UONOGXRCSA-N 2 1 294.870 3.690 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000165638210 261374461 /nfs/dbraw/zinc/37/44/61/261374461.db2.gz AXPABZCMMXXTTL-CYBMUJFWSA-N 2 1 283.375 3.679 20 0 CHADMP Clc1cc(Cl)cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000108098006 261384845 /nfs/dbraw/zinc/38/48/45/261384845.db2.gz QOWAVWQDHLBWKK-HUUCEWRRSA-N 2 1 299.245 3.710 20 0 CHADMP Clc1cc(Cl)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000108098006 261384847 /nfs/dbraw/zinc/38/48/47/261384847.db2.gz QOWAVWQDHLBWKK-HUUCEWRRSA-N 2 1 299.245 3.710 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000179039506 261412560 /nfs/dbraw/zinc/41/25/60/261412560.db2.gz PCXSZZQTWVVYAK-GOSISDBHSA-N 2 1 283.419 3.591 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000179039506 261412561 /nfs/dbraw/zinc/41/25/61/261412561.db2.gz PCXSZZQTWVVYAK-GOSISDBHSA-N 2 1 283.419 3.591 20 0 CHADMP Cc1cncc([C@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)c1 ZINC000184262347 262013908 /nfs/dbraw/zinc/01/39/08/262013908.db2.gz QIBCINJIFYRTKI-KRWDZBQOSA-N 2 1 297.446 3.563 20 0 CHADMP Cc1cncc([C@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)c1 ZINC000184262347 262013910 /nfs/dbraw/zinc/01/39/10/262013910.db2.gz QIBCINJIFYRTKI-KRWDZBQOSA-N 2 1 297.446 3.563 20 0 CHADMP c1csc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000093016604 262148723 /nfs/dbraw/zinc/14/87/23/262148723.db2.gz CIVMKTVOOOOIMP-MRXNPFEDSA-N 2 1 292.492 3.836 20 0 CHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000093016604 262148724 /nfs/dbraw/zinc/14/87/24/262148724.db2.gz CIVMKTVOOOOIMP-MRXNPFEDSA-N 2 1 292.492 3.836 20 0 CHADMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000019913240 262205801 /nfs/dbraw/zinc/20/58/01/262205801.db2.gz ZOTQZBRAMBYFHA-KRWDZBQOSA-N 2 1 282.431 3.859 20 0 CHADMP CC[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390563503 262218428 /nfs/dbraw/zinc/21/84/28/262218428.db2.gz NAEYEJLITPOOBJ-WMZOPIPTSA-N 2 1 288.479 3.923 20 0 CHADMP CC[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390563503 262218429 /nfs/dbraw/zinc/21/84/29/262218429.db2.gz NAEYEJLITPOOBJ-WMZOPIPTSA-N 2 1 288.479 3.923 20 0 CHADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc2ccccc2o1 ZINC000020564226 262251127 /nfs/dbraw/zinc/25/11/27/262251127.db2.gz XFDIFAAWDOZSCI-HNNXBMFYSA-N 2 1 286.419 3.787 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc2ccccc2o1 ZINC000020564226 262251129 /nfs/dbraw/zinc/25/11/29/262251129.db2.gz XFDIFAAWDOZSCI-HNNXBMFYSA-N 2 1 286.419 3.787 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cccc2ccccc21 ZINC000221783196 262296264 /nfs/dbraw/zinc/29/62/64/262296264.db2.gz XUERLTGNNSPCLX-UHFFFAOYSA-N 2 1 270.420 3.660 20 0 CHADMP CC(C)=CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000188443786 262296709 /nfs/dbraw/zinc/29/67/09/262296709.db2.gz FAPVVGIBZKFGJF-SJLPKXTDSA-N 2 1 272.436 3.595 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000311720987 262339780 /nfs/dbraw/zinc/33/97/80/262339780.db2.gz PCTVMWVKJLIYJS-PBHICJAKSA-N 2 1 260.425 3.555 20 0 CHADMP CC[N@H+](Cc1ccccc1Cl)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414668663 263026315 /nfs/dbraw/zinc/02/63/15/263026315.db2.gz AMMVPPIAIXSFRL-UONOGXRCSA-N 2 1 280.843 3.550 20 0 CHADMP Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414669163 263027727 /nfs/dbraw/zinc/02/77/27/263027727.db2.gz BJVNMLNKGONDHC-BQFCYCMXSA-N 2 1 272.436 3.520 20 0 CHADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)CC[NH2+]1 ZINC000414682170 263031883 /nfs/dbraw/zinc/03/18/83/263031883.db2.gz XXZKLLCPSKAPIF-KEYYUXOJSA-N 2 1 292.854 3.865 20 0 CHADMP C[C@@H]1C[C@@H](C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)CC[NH2+]1 ZINC000414689876 263032487 /nfs/dbraw/zinc/03/24/87/263032487.db2.gz LYKOMCNKXWECAS-VCBZYWHSSA-N 2 1 284.447 3.526 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[N@@H+](CCC[NH3+])C1CC1 ZINC000414748973 263038007 /nfs/dbraw/zinc/03/80/07/263038007.db2.gz OYVBKEXDYOJOHU-CQSZACIVSA-N 2 1 268.404 3.714 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc(C(F)F)c2)CC[N@@H+]1C ZINC000279685685 263056834 /nfs/dbraw/zinc/05/68/34/263056834.db2.gz HHVSMHAOVXIOEN-SWLSCSKDSA-N 2 1 282.378 3.539 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc(C(F)F)c2)CC[N@H+]1C ZINC000279685685 263056835 /nfs/dbraw/zinc/05/68/35/263056835.db2.gz HHVSMHAOVXIOEN-SWLSCSKDSA-N 2 1 282.378 3.539 20 0 CHADMP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(C(F)F)c2)CC[NH+]1C ZINC000279685685 263056836 /nfs/dbraw/zinc/05/68/36/263056836.db2.gz HHVSMHAOVXIOEN-SWLSCSKDSA-N 2 1 282.378 3.539 20 0 CHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(C(F)F)c2)CC[NH+]1C ZINC000279685685 263056837 /nfs/dbraw/zinc/05/68/37/263056837.db2.gz HHVSMHAOVXIOEN-SWLSCSKDSA-N 2 1 282.378 3.539 20 0 CHADMP C[C@H](CCc1ccccc1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414838361 263057445 /nfs/dbraw/zinc/05/74/45/263057445.db2.gz KMKMBQXGEIDMQP-CRAIPNDOSA-N 2 1 274.452 3.505 20 0 CHADMP C[C@H](CCc1ccccc1F)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414842179 263058044 /nfs/dbraw/zinc/05/80/44/263058044.db2.gz NYVZQGHXNOTSOH-RDTXWAMCSA-N 2 1 292.442 3.644 20 0 CHADMP C[C@@H](CCCC(F)(F)F)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414842241 263058359 /nfs/dbraw/zinc/05/83/59/263058359.db2.gz OESBALMSUROEPM-AAEUAGOBSA-N 2 1 280.378 3.605 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC000414851841 263068745 /nfs/dbraw/zinc/06/87/45/263068745.db2.gz PVSUETNMERKZBZ-DOTOQJQBSA-N 2 1 276.468 3.706 20 0 CHADMP Cc1cc(C[NH2+]CC2([NH3+])CCCCCC2)cc2cccnc12 ZINC000414862538 263075758 /nfs/dbraw/zinc/07/57/58/263075758.db2.gz VIQSLXRSUGEENZ-UHFFFAOYSA-N 2 1 297.446 3.685 20 0 CHADMP C[C@H](N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(C2CC2)c1 ZINC000340186506 263084595 /nfs/dbraw/zinc/08/45/95/263084595.db2.gz VGIDIIJZTIHAEQ-ZOCIIQOWSA-N 2 1 284.447 3.841 20 0 CHADMP C[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)c1cccc(C2CC2)c1 ZINC000340186506 263084596 /nfs/dbraw/zinc/08/45/96/263084596.db2.gz VGIDIIJZTIHAEQ-ZOCIIQOWSA-N 2 1 284.447 3.841 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(C2CC2)c1 ZINC000340186506 263084597 /nfs/dbraw/zinc/08/45/97/263084597.db2.gz VGIDIIJZTIHAEQ-ZOCIIQOWSA-N 2 1 284.447 3.841 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(C2CC2)c1 ZINC000340186506 263084598 /nfs/dbraw/zinc/08/45/98/263084598.db2.gz VGIDIIJZTIHAEQ-ZOCIIQOWSA-N 2 1 284.447 3.841 20 0 CHADMP CC[C@H](C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000415061283 263258661 /nfs/dbraw/zinc/25/86/61/263258661.db2.gz ZYHLKCGZBHYUJJ-NEWSRXKRSA-N 2 1 286.463 3.644 20 0 CHADMP CC[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000415061284 263258803 /nfs/dbraw/zinc/25/88/03/263258803.db2.gz ZYHLKCGZBHYUJJ-NZSAHSFTSA-N 2 1 286.463 3.644 20 0 CHADMP [NH3+]C[C@@H]([NH2+]CCCc1c(F)cccc1Cl)C1CCCC1 ZINC000415063990 263259053 /nfs/dbraw/zinc/25/90/53/263259053.db2.gz JNKRFXFUHMFANF-MRXNPFEDSA-N 2 1 298.833 3.519 20 0 CHADMP [NH3+]C[C@@H]([NH2+]C1CCC(c2ccccc2)CC1)C1CCCC1 ZINC000415072003 263262438 /nfs/dbraw/zinc/26/24/38/263262438.db2.gz XHGBYTVVAFUCOD-NKELODKYSA-N 2 1 286.463 3.820 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@@H]([NH2+][C@H](C[NH3+])C2CCCC2)C1 ZINC000415072645 263262522 /nfs/dbraw/zinc/26/25/22/263262522.db2.gz YJGOGSXCNRHWOU-QRVBRYPASA-N 2 1 286.463 3.604 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CCCCCc2ccc(F)cc2)CC[N@H+]1C ZINC000187759342 263268271 /nfs/dbraw/zinc/26/82/71/263268271.db2.gz ADECPNNBMJACFG-CRAIPNDOSA-N 2 1 292.442 3.611 20 0 CHADMP CC(C)c1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000453602505 263280286 /nfs/dbraw/zinc/28/02/86/263280286.db2.gz WFADXOXCTQYQEB-UHFFFAOYSA-N 2 1 274.452 3.774 20 0 CHADMP CC[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(F)c1 ZINC000356853186 266190937 /nfs/dbraw/zinc/19/09/37/266190937.db2.gz OAIGCTCLAIPZOI-QGZVFWFLSA-N 2 1 278.415 3.522 20 0 CHADMP CC[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(F)c1 ZINC000356853186 266190940 /nfs/dbraw/zinc/19/09/40/266190940.db2.gz OAIGCTCLAIPZOI-QGZVFWFLSA-N 2 1 278.415 3.522 20 0 CHADMP CC[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccc(F)c1 ZINC000356853186 266190943 /nfs/dbraw/zinc/19/09/43/266190943.db2.gz OAIGCTCLAIPZOI-QGZVFWFLSA-N 2 1 278.415 3.522 20 0 CHADMP CC[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccc(F)c1 ZINC000356853186 266190945 /nfs/dbraw/zinc/19/09/45/266190945.db2.gz OAIGCTCLAIPZOI-QGZVFWFLSA-N 2 1 278.415 3.522 20 0 CHADMP CC[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(C)ccc1OC ZINC000357802963 266368178 /nfs/dbraw/zinc/36/81/78/266368178.db2.gz ZKJFWYKPSCUEHD-UXLLHSPISA-N 2 1 290.451 3.527 20 0 CHADMP CC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(C)ccc1OC ZINC000357802963 266368180 /nfs/dbraw/zinc/36/81/80/266368180.db2.gz ZKJFWYKPSCUEHD-UXLLHSPISA-N 2 1 290.451 3.527 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(C)ccc1OC ZINC000357802963 266368183 /nfs/dbraw/zinc/36/81/83/266368183.db2.gz ZKJFWYKPSCUEHD-UXLLHSPISA-N 2 1 290.451 3.527 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(C)ccc1OC ZINC000357802963 266368185 /nfs/dbraw/zinc/36/81/85/266368185.db2.gz ZKJFWYKPSCUEHD-UXLLHSPISA-N 2 1 290.451 3.527 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+]C3CCC4(CC4)CC3)CC2)cc1 ZINC000362925326 267062016 /nfs/dbraw/zinc/06/20/16/267062016.db2.gz SFMWSEYEVDVDER-UHFFFAOYSA-N 2 1 298.474 3.963 20 0 CHADMP C(C1CCCC1)[N@@H+]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000362929657 267062716 /nfs/dbraw/zinc/06/27/16/267062716.db2.gz GBKNTSRLTIMLLV-KRWDZBQOSA-N 2 1 276.468 3.563 20 0 CHADMP C(C1CCCC1)[N@H+]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000362929657 267062720 /nfs/dbraw/zinc/06/27/20/267062720.db2.gz GBKNTSRLTIMLLV-KRWDZBQOSA-N 2 1 276.468 3.563 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000368455991 267174311 /nfs/dbraw/zinc/17/43/11/267174311.db2.gz WEFHQERQLUKSGK-KGYLQXTDSA-N 2 1 298.883 3.577 20 0 CHADMP CC[C@@H](c1ccccc1)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000369384820 267239409 /nfs/dbraw/zinc/23/94/09/267239409.db2.gz UPIMNAXHJMULEK-KRWDZBQOSA-N 2 1 272.436 3.698 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000370477717 267320924 /nfs/dbraw/zinc/32/09/24/267320924.db2.gz QAULIHDZGHNSEV-HAGHYFMRSA-N 2 1 298.474 3.713 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000120077049 267356712 /nfs/dbraw/zinc/35/67/12/267356712.db2.gz CKRCMRYFLVSHJR-INIZCTEOSA-N 2 1 277.456 3.872 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1CC(C)(C)C ZINC000120077049 267356715 /nfs/dbraw/zinc/35/67/15/267356715.db2.gz CKRCMRYFLVSHJR-INIZCTEOSA-N 2 1 277.456 3.872 20 0 CHADMP CCC1CC([NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000570745646 327615765 /nfs/dbraw/zinc/61/57/65/327615765.db2.gz GAKOTRMAOQPQDP-MDCZIUGASA-N 2 1 286.463 3.990 20 0 CHADMP CC(C)=CCC[C@@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000164617980 327722793 /nfs/dbraw/zinc/72/27/93/327722793.db2.gz KPJKTEXDXYGFSF-OAHLLOKOSA-N 2 1 263.429 3.696 20 0 CHADMP c1ccc([C@@H]2CCCC[C@H]2[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000378867791 327762124 /nfs/dbraw/zinc/76/21/24/327762124.db2.gz GCWSMUBIXYGWPY-VQTJNVASSA-N 2 1 298.474 3.929 20 0 CHADMP CC(C)C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccs1 ZINC000531724908 328023513 /nfs/dbraw/zinc/02/35/13/328023513.db2.gz ARCZPQXGABUZRB-KFWWJZLASA-N 2 1 280.481 3.908 20 0 CHADMP CC(C)C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccs1 ZINC000531724908 328023514 /nfs/dbraw/zinc/02/35/14/328023514.db2.gz ARCZPQXGABUZRB-KFWWJZLASA-N 2 1 280.481 3.908 20 0 CHADMP CC[C@H](CN[C@@H]1CCc2c1cccc2Cl)[NH+]1CCCC1 ZINC000531685678 328021636 /nfs/dbraw/zinc/02/16/36/328021636.db2.gz LAYYGNVGNONJMM-CXAGYDPISA-N 2 1 292.854 3.791 20 0 CHADMP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000401786123 328061980 /nfs/dbraw/zinc/06/19/80/328061980.db2.gz UBSSYZUHXVHPNT-JQHSSLGASA-N 2 1 297.446 3.525 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000563481967 328069662 /nfs/dbraw/zinc/06/96/62/328069662.db2.gz FGDFPJGHEJXAKR-BPQIPLTHSA-N 2 1 274.452 3.500 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000563481967 328069663 /nfs/dbraw/zinc/06/96/63/328069663.db2.gz FGDFPJGHEJXAKR-BPQIPLTHSA-N 2 1 274.452 3.500 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000563481970 328069699 /nfs/dbraw/zinc/06/96/99/328069699.db2.gz FGDFPJGHEJXAKR-NXHRZFHOSA-N 2 1 274.452 3.500 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000563481970 328069700 /nfs/dbraw/zinc/06/97/00/328069700.db2.gz FGDFPJGHEJXAKR-NXHRZFHOSA-N 2 1 274.452 3.500 20 0 CHADMP CCC(C)(C)C1CCC([NH2+]CCc2c[nH+]cn2C)CC1 ZINC000401859968 328069872 /nfs/dbraw/zinc/06/98/72/328069872.db2.gz XGAKXDFSFJRFME-UHFFFAOYSA-N 2 1 277.456 3.547 20 0 CHADMP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(Cl)nc1 ZINC000276907340 328220108 /nfs/dbraw/zinc/22/01/08/328220108.db2.gz OLJMGMKTAPCHHS-ZDUSSCGKSA-N 2 1 295.858 3.508 20 0 CHADMP Cc1ccsc1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415084336 328302789 /nfs/dbraw/zinc/30/27/89/328302789.db2.gz OTUSGAHRCXOPPJ-JKSUJKDBSA-N 2 1 286.444 3.639 20 0 CHADMP CCSc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000534496747 328304708 /nfs/dbraw/zinc/30/47/08/328304708.db2.gz VAICCWUGKMOYHX-GJZGRUSLSA-N 2 1 292.492 3.791 20 0 CHADMP CC[C@H]1C[N@H+](CCn2cc[nH+]c2C)CC[C@H]1c1ccccc1 ZINC000534954098 328373510 /nfs/dbraw/zinc/37/35/10/328373510.db2.gz JUCDGAXEQVNTRT-PKOBYXMFSA-N 2 1 297.446 3.707 20 0 CHADMP CC[C@H]1C[N@@H+](CCn2cc[nH+]c2C)CC[C@H]1c1ccccc1 ZINC000534954098 328373511 /nfs/dbraw/zinc/37/35/11/328373511.db2.gz JUCDGAXEQVNTRT-PKOBYXMFSA-N 2 1 297.446 3.707 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(C(C)C)CC2)[C@H](C)C1 ZINC000531993279 328385935 /nfs/dbraw/zinc/38/59/35/328385935.db2.gz IXDVLAWZFKUVNJ-RDHHWEPZSA-N 2 1 266.473 3.521 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H]2C=CCCCCC2)CC1 ZINC000559071206 327139937 /nfs/dbraw/zinc/13/99/37/327139937.db2.gz MKAWRNUGQJOAQR-GOSISDBHSA-N 2 1 278.484 3.928 20 0 CHADMP CCC[NH+]1CCC([NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000131310346 327161338 /nfs/dbraw/zinc/16/13/38/327161338.db2.gz KMNPXYDOIFJTMY-UHFFFAOYSA-N 2 1 282.378 3.588 20 0 CHADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000316586551 327176034 /nfs/dbraw/zinc/17/60/34/327176034.db2.gz DSQJFDPUVSGDCK-RDJZCZTQSA-N 2 1 296.414 3.791 20 0 CHADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000316586551 327176036 /nfs/dbraw/zinc/17/60/36/327176036.db2.gz DSQJFDPUVSGDCK-RDJZCZTQSA-N 2 1 296.414 3.791 20 0 CHADMP CC(C)C[C@H](C)C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000584258736 327202767 /nfs/dbraw/zinc/20/27/67/327202767.db2.gz FUMCIRSWFPGIAX-IRXDYDNUSA-N 2 1 268.489 3.626 20 0 CHADMP CCC(CC)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000559721714 327258433 /nfs/dbraw/zinc/25/84/33/327258433.db2.gz HPXNUSWQZOWCKN-IRXDYDNUSA-N 2 1 260.425 3.600 20 0 CHADMP CCC(CC)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000559721714 327258435 /nfs/dbraw/zinc/25/84/35/327258435.db2.gz HPXNUSWQZOWCKN-IRXDYDNUSA-N 2 1 260.425 3.600 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)C[C@H]2c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000559880179 327266469 /nfs/dbraw/zinc/26/64/69/327266469.db2.gz FCUPDTRHHDGBPE-FSGKZVOOSA-N 2 1 298.474 3.643 20 0 CHADMP CC(C)C1([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000559891028 327268474 /nfs/dbraw/zinc/26/84/74/327268474.db2.gz LNJBTZDVNVOGOP-IPMKNSEASA-N 2 1 298.474 3.675 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H]2C(C)C)c1 ZINC000560530285 327319828 /nfs/dbraw/zinc/31/98/28/327319828.db2.gz QBYJVEUDIXRDDR-QZTJIDSGSA-N 2 1 274.452 3.663 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[C@@H]2C(C)C)c1 ZINC000560530284 327319954 /nfs/dbraw/zinc/31/99/54/327319954.db2.gz QBYJVEUDIXRDDR-MSOLQXFVSA-N 2 1 274.452 3.663 20 0 CHADMP C[C@H](CC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000560594069 327329012 /nfs/dbraw/zinc/32/90/12/327329012.db2.gz FWHHWDVCZJMBNF-IEBWSBKVSA-N 2 1 286.463 3.598 20 0 CHADMP C[C@H](CC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000560594069 327329013 /nfs/dbraw/zinc/32/90/13/327329013.db2.gz FWHHWDVCZJMBNF-IEBWSBKVSA-N 2 1 286.463 3.598 20 0 CHADMP C[C@H](CC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000560594069 327329014 /nfs/dbraw/zinc/32/90/14/327329014.db2.gz FWHHWDVCZJMBNF-IEBWSBKVSA-N 2 1 286.463 3.598 20 0 CHADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261807949 327353111 /nfs/dbraw/zinc/35/31/11/327353111.db2.gz ZKODUUBDZUYHMX-HNAYVOBHSA-N 2 1 280.415 3.586 20 0 CHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccoc1 ZINC000532233404 328709395 /nfs/dbraw/zinc/70/93/95/328709395.db2.gz VTWZFRNLCIAHIM-ZOBUZTSGSA-N 2 1 278.440 3.831 20 0 CHADMP CC(C)=CCC[C@@H](C)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000532454354 328779386 /nfs/dbraw/zinc/77/93/86/328779386.db2.gz QFWOZXPHZQJWDE-OAHLLOKOSA-N 2 1 252.446 3.585 20 0 CHADMP Fc1ccc(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)c(Cl)c1 ZINC000377557311 329018980 /nfs/dbraw/zinc/01/89/80/329018980.db2.gz UQZRUJKDBRJWJS-CQSZACIVSA-N 2 1 293.773 3.513 20 0 CHADMP Cc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1Cl ZINC000193731123 329061551 /nfs/dbraw/zinc/06/15/51/329061551.db2.gz BXUSRJCZZHIQMP-UHFFFAOYSA-N 2 1 280.843 3.611 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(SC)cc2)CC1 ZINC000171930887 329082224 /nfs/dbraw/zinc/08/22/24/329082224.db2.gz RBZUUEWWBQYCTJ-UHFFFAOYSA-N 2 1 292.492 3.715 20 0 CHADMP Cc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000583709256 329093365 /nfs/dbraw/zinc/09/33/65/329093365.db2.gz SNPMIYVZCOHQNF-BBWFWOEESA-N 2 1 298.430 3.704 20 0 CHADMP CC1=C[C@H](C)C[C@@H](C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)C1 ZINC000582479474 329095247 /nfs/dbraw/zinc/09/52/47/329095247.db2.gz YNXGVPZIWSMLKQ-ZYSHUDEJSA-N 2 1 290.495 3.643 20 0 CHADMP CC1=C[C@H](C)C[C@@H](C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000582479474 329095248 /nfs/dbraw/zinc/09/52/48/329095248.db2.gz YNXGVPZIWSMLKQ-ZYSHUDEJSA-N 2 1 290.495 3.643 20 0 CHADMP CC1=C[C@H](C)C[C@@H](C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000582479474 329095249 /nfs/dbraw/zinc/09/52/49/329095249.db2.gz YNXGVPZIWSMLKQ-ZYSHUDEJSA-N 2 1 290.495 3.643 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CCC2CCCCCC2)C1 ZINC000394621107 329126033 /nfs/dbraw/zinc/12/60/33/329126033.db2.gz LNNLSBNGBAZEHZ-QGZVFWFLSA-N 2 1 266.473 3.667 20 0 CHADMP CCC(CC)[N@@H+](CCCc1cnccc1C)C1CC1 ZINC000582692882 329128557 /nfs/dbraw/zinc/12/85/57/329128557.db2.gz MGGOIDCYIAXGHT-UHFFFAOYSA-N 2 1 260.425 3.976 20 0 CHADMP Cc1nc(C)c([C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)s1 ZINC000178220083 329194685 /nfs/dbraw/zinc/19/46/85/329194685.db2.gz ARKAAQNNRVQAQE-ZDUSSCGKSA-N 2 1 297.512 3.919 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000178697481 329202288 /nfs/dbraw/zinc/20/22/88/329202288.db2.gz LBGHPSGOANRUNA-CJNGLKHVSA-N 2 1 285.435 3.795 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CCCC(C)C ZINC000178706320 329202561 /nfs/dbraw/zinc/20/25/61/329202561.db2.gz QSQOYTYWERGVGP-CABCVRRESA-N 2 1 265.445 3.632 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000178704143 329202757 /nfs/dbraw/zinc/20/27/57/329202757.db2.gz PKZYVFYWBJBVBQ-KDOFPFPSSA-N 2 1 297.446 3.840 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000179238834 329206534 /nfs/dbraw/zinc/20/65/34/329206534.db2.gz FUBCJKOPFZFCLZ-HNNXBMFYSA-N 2 1 271.408 3.665 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](C)c1ccccc1 ZINC000179238834 329206536 /nfs/dbraw/zinc/20/65/36/329206536.db2.gz FUBCJKOPFZFCLZ-HNNXBMFYSA-N 2 1 271.408 3.665 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C/C=C/Cl)cc1 ZINC000183687774 329249476 /nfs/dbraw/zinc/24/94/76/329249476.db2.gz YGFGERWBRDVAOU-STWLFGJUSA-N 2 1 275.783 3.584 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000583110940 329313079 /nfs/dbraw/zinc/31/30/79/329313079.db2.gz ARYJUCGGYTXYRD-QAPCUYQASA-N 2 1 288.479 3.756 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000583110940 329313080 /nfs/dbraw/zinc/31/30/80/329313080.db2.gz ARYJUCGGYTXYRD-QAPCUYQASA-N 2 1 288.479 3.756 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000583110940 329313081 /nfs/dbraw/zinc/31/30/81/329313081.db2.gz ARYJUCGGYTXYRD-QAPCUYQASA-N 2 1 288.479 3.756 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000583110940 329313082 /nfs/dbraw/zinc/31/30/82/329313082.db2.gz ARYJUCGGYTXYRD-QAPCUYQASA-N 2 1 288.479 3.756 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000459735766 329375181 /nfs/dbraw/zinc/37/51/81/329375181.db2.gz POKLLAHPMDTXER-ZIAGYGMSSA-N 2 1 280.843 3.723 20 0 CHADMP CC(C)[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000125071798 329577163 /nfs/dbraw/zinc/57/71/63/329577163.db2.gz ZJTOEFSYWIAXMH-HOTGVXAUSA-N 2 1 274.452 3.846 20 0 CHADMP CCC[C@H]1CCCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000548159593 329937814 /nfs/dbraw/zinc/93/78/14/329937814.db2.gz ADGAIGOKXUBINP-IRXDYDNUSA-N 2 1 277.456 3.920 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCCCc1ccccc1 ZINC000162438893 330045589 /nfs/dbraw/zinc/04/55/89/330045589.db2.gz APSBMTLRAJVORJ-ZIFCJYIRSA-N 2 1 288.479 3.718 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+]CC3=CCCCC3)CC2)cc1 ZINC000379585541 330139468 /nfs/dbraw/zinc/13/94/68/330139468.db2.gz YTWQECPWKIUNQE-UHFFFAOYSA-N 2 1 284.447 3.741 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379626009 330143377 /nfs/dbraw/zinc/14/33/77/330143377.db2.gz GMAFYXKXWHPZPV-VQIMIIECSA-N 2 1 286.463 3.819 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000379626009 330143379 /nfs/dbraw/zinc/14/33/79/330143379.db2.gz GMAFYXKXWHPZPV-VQIMIIECSA-N 2 1 286.463 3.819 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC=CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379643251 330144952 /nfs/dbraw/zinc/14/49/52/330144952.db2.gz FQNHUWVGJNVTIR-WSTZPKSXSA-N 2 1 298.474 3.985 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC=CCC2)CC[N@H+]1Cc1ccccc1 ZINC000379643251 330144953 /nfs/dbraw/zinc/14/49/53/330144953.db2.gz FQNHUWVGJNVTIR-WSTZPKSXSA-N 2 1 298.474 3.985 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C(C2CC2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379641565 330146113 /nfs/dbraw/zinc/14/61/13/330146113.db2.gz DFIOTFDEWZYAFK-BEFAXECRSA-N 2 1 298.474 3.818 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C(C2CC2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000379641565 330146114 /nfs/dbraw/zinc/14/61/14/330146114.db2.gz DFIOTFDEWZYAFK-BEFAXECRSA-N 2 1 298.474 3.818 20 0 CHADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc2ccccc2n1 ZINC000422703942 330151164 /nfs/dbraw/zinc/15/11/64/330151164.db2.gz OFKADOGYKNLNFI-RDJZCZTQSA-N 2 1 297.446 3.635 20 0 CHADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc2ccccc2n1 ZINC000422703940 330151218 /nfs/dbraw/zinc/15/12/18/330151218.db2.gz OFKADOGYKNLNFI-DOTOQJQBSA-N 2 1 297.446 3.635 20 0 CHADMP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1Cl ZINC000422749559 330153206 /nfs/dbraw/zinc/15/32/06/330153206.db2.gz ZRWKHCRYGHUXOJ-DVJFUJMWSA-N 2 1 292.854 3.910 20 0 CHADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000422763958 330154026 /nfs/dbraw/zinc/15/40/26/330154026.db2.gz PDDBSMNDUCUHGR-RTBURBONSA-N 2 1 280.415 3.578 20 0 CHADMP CC(C)Oc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422822513 330156452 /nfs/dbraw/zinc/15/64/52/330156452.db2.gz BCQOBHIHJZAKLQ-MOPGFXCFSA-N 2 1 296.414 3.708 20 0 CHADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000422850519 330157345 /nfs/dbraw/zinc/15/73/45/330157345.db2.gz VZFSPIZTKJXCIC-ILXRZTDVSA-N 2 1 294.439 3.612 20 0 CHADMP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422880959 330158838 /nfs/dbraw/zinc/15/88/38/330158838.db2.gz XZSOEYSQGYARAJ-UBDQQSCGSA-N 2 1 272.436 3.648 20 0 CHADMP C[C@H]([NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1)[C@H]1CC[NH2+]C1 ZINC000422940038 330161591 /nfs/dbraw/zinc/16/15/91/330161591.db2.gz MXVJXSOTTOXHSI-QWRGUYRKSA-N 2 1 299.245 3.570 20 0 CHADMP CC(C)C[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1cccs1 ZINC000422947068 330162034 /nfs/dbraw/zinc/16/20/34/330162034.db2.gz PSBVVYYDNLPWMS-RDBSUJKOSA-N 2 1 266.454 3.565 20 0 CHADMP Cc1ccc(CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000422983682 330162744 /nfs/dbraw/zinc/16/27/44/330162744.db2.gz UNHBRZHRJVOEIC-VQTJNVASSA-N 2 1 294.442 3.620 20 0 CHADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000422992708 330163152 /nfs/dbraw/zinc/16/31/52/330163152.db2.gz QDRNTEMFWYIBLX-WCBMZHEXSA-N 2 1 293.263 3.533 20 0 CHADMP CC(C)C[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422999949 330163746 /nfs/dbraw/zinc/16/37/46/330163746.db2.gz GCRMQWBPXHXRII-USXIJHARSA-N 2 1 260.425 3.504 20 0 CHADMP C[C@@H]([NH2+]CC(C)(C)C1=CCCCC1)c1c[nH+]ccc1N ZINC000423046389 330167184 /nfs/dbraw/zinc/16/71/84/330167184.db2.gz DMMNHMDICIUBQX-CYBMUJFWSA-N 2 1 273.424 3.671 20 0 CHADMP CC(C)Oc1ccc2ccccc2c1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000423049283 330167240 /nfs/dbraw/zinc/16/72/40/330167240.db2.gz JUPQPWITNYGPBI-QZTJIDSGSA-N 2 1 298.430 3.596 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2s1)[C@@H]1CCC[NH2+]1 ZINC000423053231 330167395 /nfs/dbraw/zinc/16/73/95/330167395.db2.gz ABQBREFRPJTIKG-DYEKYZERSA-N 2 1 274.433 3.692 20 0 CHADMP Cc1cc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])ccc1-c1ccccc1 ZINC000423066774 330168320 /nfs/dbraw/zinc/16/83/20/330168320.db2.gz XVMPBMUZSULZSI-OALUTQOASA-N 2 1 280.415 3.631 20 0 CHADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc(F)cc32)c2ccccc21 ZINC000423089014 330169038 /nfs/dbraw/zinc/16/90/38/330169038.db2.gz UGRTWOWLEYSMKX-CEXWTWQISA-N 2 1 296.389 3.938 20 0 CHADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000423121352 330171117 /nfs/dbraw/zinc/17/11/17/330171117.db2.gz IKTFDIGLAXSWDG-UTUOFQBUSA-N 2 1 284.856 3.638 20 0 CHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(F)c2ccccc21 ZINC000423130903 330171950 /nfs/dbraw/zinc/17/19/50/330171950.db2.gz SMYRNHHEMHNDJN-LXIYXOSZSA-N 2 1 286.394 3.770 20 0 CHADMP Cc1csc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000423146387 330172494 /nfs/dbraw/zinc/17/24/94/330172494.db2.gz AMBNJBKTVVJMPK-DOTOQJQBSA-N 2 1 286.444 3.639 20 0 CHADMP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423157601 330173490 /nfs/dbraw/zinc/17/34/90/330173490.db2.gz BGPQNFDFVNXTLW-AKHDSKFASA-N 2 1 286.463 3.894 20 0 CHADMP Cc1cccc([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c1C ZINC000423182140 330175453 /nfs/dbraw/zinc/17/54/53/330175453.db2.gz DWJQPNXDXBNLLM-KRWDZBQOSA-N 2 1 297.446 3.529 20 0 CHADMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1cc2c(ccc3ccccc23)o1 ZINC000423186983 330175718 /nfs/dbraw/zinc/17/57/18/330175718.db2.gz OSSXSYAKFGODHQ-ZDUSSCGKSA-N 2 1 294.398 3.989 20 0 CHADMP C[C@@H]([NH2+]CC[NH3+])c1ccc(-c2ccccc2Cl)s1 ZINC000423194592 330176190 /nfs/dbraw/zinc/17/61/90/330176190.db2.gz WXBSGKSDCHBHAL-SNVBAGLBSA-N 2 1 280.824 3.678 20 0 CHADMP C[C@@H]([NH2+]CC[NH3+])c1ccc(-c2ccc(Cl)cc2)s1 ZINC000423195907 330176270 /nfs/dbraw/zinc/17/62/70/330176270.db2.gz YKSHXQHNZXOJPB-SNVBAGLBSA-N 2 1 280.824 3.678 20 0 CHADMP Fc1ccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423205208 330176983 /nfs/dbraw/zinc/17/69/83/330176983.db2.gz DWNIGMFHYRMANZ-KXBFYZLASA-N 2 1 298.405 3.504 20 0 CHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(-c2ccccc2)o1 ZINC000423209865 330177586 /nfs/dbraw/zinc/17/75/86/330177586.db2.gz FNDSWSSBPWTKEX-ZOBUZTSGSA-N 2 1 298.430 3.985 20 0 CHADMP CCC[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1cccnc1 ZINC000423208534 330177731 /nfs/dbraw/zinc/17/77/31/330177731.db2.gz YXZGGMVLWZOLCJ-INIZCTEOSA-N 2 1 275.440 3.564 20 0 CHADMP Cc1ccsc1[C@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423259161 330183534 /nfs/dbraw/zinc/18/35/34/330183534.db2.gz DDFYZWHWHORPCK-GXTWGEPZSA-N 2 1 266.454 3.615 20 0 CHADMP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423260589 330183704 /nfs/dbraw/zinc/18/37/04/330183704.db2.gz HPLDKVIWHXLJKP-YPMHNXCESA-N 2 1 297.512 3.773 20 0 CHADMP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423265138 330183936 /nfs/dbraw/zinc/18/39/36/330183936.db2.gz ATVRAIVWVYSBDW-SCLBCKFNSA-N 2 1 299.462 3.551 20 0 CHADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000423271368 330184638 /nfs/dbraw/zinc/18/46/38/330184638.db2.gz JBFHOQJXEYLVFO-NOZJJQNGSA-N 2 1 275.223 3.627 20 0 CHADMP CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423277470 330185091 /nfs/dbraw/zinc/18/50/91/330185091.db2.gz OEMKGPNPPYFETP-HIFRSBDPSA-N 2 1 298.883 3.538 20 0 CHADMP CC(C)Sc1ccc([C@@H](C)[NH2+][C@H](CN)C2CC2)cc1 ZINC000423280153 330185513 /nfs/dbraw/zinc/18/55/13/330185513.db2.gz SHZOGQCCWJGJNV-MLGOLLRUSA-N 2 1 278.465 3.575 20 0 CHADMP CC(C)Sc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000423280153 330185514 /nfs/dbraw/zinc/18/55/14/330185514.db2.gz SHZOGQCCWJGJNV-MLGOLLRUSA-N 2 1 278.465 3.575 20 0 CHADMP CC(C)([NH3+])C[NH2+][C@@H](c1cc2ccccc2o1)C(C)(C)C ZINC000423287496 330186059 /nfs/dbraw/zinc/18/60/59/330186059.db2.gz MQYNTIBHBCCVBH-HNNXBMFYSA-N 2 1 274.408 3.847 20 0 CHADMP COc1ccccc1-c1ccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000423289527 330186384 /nfs/dbraw/zinc/18/63/84/330186384.db2.gz XJPJZJNXUIMQJX-CQSZACIVSA-N 2 1 298.430 3.750 20 0 CHADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000423297185 330188654 /nfs/dbraw/zinc/18/86/54/330188654.db2.gz JBVFXQFOSKSHPW-VXNVDRBHSA-N 2 1 293.263 3.617 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000423304320 330188911 /nfs/dbraw/zinc/18/89/11/330188911.db2.gz YJDDSLGMFAZAKU-DYVFJYSZSA-N 2 1 285.435 3.652 20 0 CHADMP C[C@H](C[NH3+])[NH2+][C@H](Cc1ccccc1Cl)c1cccs1 ZINC000423315668 330189700 /nfs/dbraw/zinc/18/97/00/330189700.db2.gz AHBBIACNASJJHP-BXUZGUMPSA-N 2 1 294.851 3.622 20 0 CHADMP CCc1c2ccccc2oc1[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000423316560 330189980 /nfs/dbraw/zinc/18/99/80/330189980.db2.gz BUYFJOJRMHNEQN-LBPRGKRZSA-N 2 1 272.392 3.527 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(-c2cccs2)cc1 ZINC000423323180 330190573 /nfs/dbraw/zinc/19/05/73/330190573.db2.gz ONKXWJVQQZDCRY-MLGOLLRUSA-N 2 1 286.444 3.803 20 0 CHADMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-c2ccccc2F)s1 ZINC000423333362 330191360 /nfs/dbraw/zinc/19/13/60/330191360.db2.gz RLYUWNFQQFQIAT-MNOVXSKESA-N 2 1 278.396 3.552 20 0 CHADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(-c2cccs2)cc1 ZINC000423343491 330192204 /nfs/dbraw/zinc/19/22/04/330192204.db2.gz ZWAKUWKEWJBBEY-CYBMUJFWSA-N 2 1 286.444 3.947 20 0 CHADMP CC(C)CC[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccoc1 ZINC000423346535 330192516 /nfs/dbraw/zinc/19/25/16/330192516.db2.gz PYDRXNVUWCDBTR-IRXDYDNUSA-N 2 1 278.440 3.736 20 0 CHADMP Cc1cc2cc([C@H](C)[NH2+][C@H]3CC[NH2+][C@H](C)C3)oc2cc1C ZINC000423378603 330198947 /nfs/dbraw/zinc/19/89/47/330198947.db2.gz MHACFDQRZSDBRJ-YCPHGPKFSA-N 2 1 286.419 3.841 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCSc3ccc(Cl)cc32)CC[NH2+]1 ZINC000423379313 330199096 /nfs/dbraw/zinc/19/90/96/330199096.db2.gz NBBOAGNJMBIRBK-OSMZGAPFSA-N 2 1 296.867 3.607 20 0 CHADMP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000423387646 330199863 /nfs/dbraw/zinc/19/98/63/330199863.db2.gz HWMOBRPCMGCKKI-DVOMOZLQSA-N 2 1 286.419 3.644 20 0 CHADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2F)s1 ZINC000423448132 330202560 /nfs/dbraw/zinc/20/25/60/330202560.db2.gz PTIWDGUHZYBTLM-SRVKXCTJSA-N 2 1 292.423 3.941 20 0 CHADMP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000423452443 330203121 /nfs/dbraw/zinc/20/31/21/330203121.db2.gz WIFDXRAGGYLPSH-UTUOFQBUSA-N 2 1 289.448 3.505 20 0 CHADMP CC[C@@H]([NH3+])C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000423486664 330206925 /nfs/dbraw/zinc/20/69/25/330206925.db2.gz ZYDHIOQQRJMEHY-ZIAGYGMSSA-N 2 1 288.357 3.729 20 0 CHADMP CSc1ccccc1[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423500158 330208264 /nfs/dbraw/zinc/20/82/64/330208264.db2.gz KDXLAPGTKISQHC-DOMZBBRYSA-N 2 1 278.465 3.577 20 0 CHADMP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423501363 330208316 /nfs/dbraw/zinc/20/83/16/330208316.db2.gz DIVBDVNAHUEETE-CPLUKWAASA-N 2 1 294.442 3.524 20 0 CHADMP CC[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cc(Cl)ccc1OC ZINC000423533979 330210477 /nfs/dbraw/zinc/21/04/77/330210477.db2.gz ZAZXQRSJGKNYAS-OAHLLOKOSA-N 2 1 296.842 3.531 20 0 CHADMP COc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c2ccccc12 ZINC000423570796 330212038 /nfs/dbraw/zinc/21/20/38/330212038.db2.gz XDBHTORJVSRSIG-HUUCEWRRSA-N 2 1 298.430 3.641 20 0 CHADMP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc2ccccc21 ZINC000423563208 330212174 /nfs/dbraw/zinc/21/21/74/330212174.db2.gz RDHUUGZXRIMJHU-ZBFHGGJFSA-N 2 1 268.404 3.633 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527701362 330274762 /nfs/dbraw/zinc/27/47/62/330274762.db2.gz QEZMIYUVIOHFCJ-UHMOLFJZSA-N 2 1 298.474 3.533 20 0 CHADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC[C@H](c2ccccc2)CC1 ZINC000527726302 330277654 /nfs/dbraw/zinc/27/76/54/330277654.db2.gz HCKJJTCNVHRNLH-ROUUACIJSA-N 2 1 297.446 3.669 20 0 CHADMP CC(C)c1cccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000527850773 330288271 /nfs/dbraw/zinc/28/82/71/330288271.db2.gz NZTYWPYVYPCWRB-HZPDHXFCSA-N 2 1 286.463 3.945 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CC12CC2 ZINC000527872938 330290894 /nfs/dbraw/zinc/29/08/94/330290894.db2.gz UOPGUVLSLFUHNH-UKBAYJJMSA-N 2 1 298.474 3.818 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CC12CC2 ZINC000527872938 330290895 /nfs/dbraw/zinc/29/08/95/330290895.db2.gz UOPGUVLSLFUHNH-UKBAYJJMSA-N 2 1 298.474 3.818 20 0 CHADMP C[NH+](C)[C@H]1CCC[C@@H](Nc2[nH+]ccc3ccccc32)C1 ZINC000527917652 330295436 /nfs/dbraw/zinc/29/54/36/330295436.db2.gz YBHYNEOAEVBRRY-CABCVRRESA-N 2 1 269.392 3.520 20 0 CHADMP CCCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534923 330329971 /nfs/dbraw/zinc/32/99/71/330329971.db2.gz WJJLQZXHTXKZKN-WBVHZDCISA-N 2 1 274.452 3.632 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000044534525 330329996 /nfs/dbraw/zinc/32/99/96/330329996.db2.gz GLGNASSGKSZMHC-XJKSGUPXSA-N 2 1 280.843 3.723 20 0 CHADMP C[C@@H]1CC2(C[N@H+]1Cc1cccc3ccccc31)CC[NH2+]CC2 ZINC000424302024 330337948 /nfs/dbraw/zinc/33/79/48/330337948.db2.gz YSXUMKSYQFODSX-MRXNPFEDSA-N 2 1 294.442 3.804 20 0 CHADMP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424315521 330339327 /nfs/dbraw/zinc/33/93/27/330339327.db2.gz AAOCYNKKSBVRDM-XFWGSAIBSA-N 2 1 298.474 3.675 20 0 CHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424328358 330341675 /nfs/dbraw/zinc/34/16/75/330341675.db2.gz NZVPURQPEXLUGK-MVJPYGJCSA-N 2 1 298.474 3.675 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424328358 330341676 /nfs/dbraw/zinc/34/16/76/330341676.db2.gz NZVPURQPEXLUGK-MVJPYGJCSA-N 2 1 298.474 3.675 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000424337464 330343646 /nfs/dbraw/zinc/34/36/46/330343646.db2.gz RVBHCTCKGBGCOL-ZLKJLUDKSA-N 2 1 286.341 3.626 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000424348022 330344988 /nfs/dbraw/zinc/34/49/88/330344988.db2.gz KOTTYZXPIBGETF-SJWGOKEGSA-N 2 1 281.403 3.630 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000424348023 330345006 /nfs/dbraw/zinc/34/50/06/330345006.db2.gz KOTTYZXPIBGETF-VDNDLQMASA-N 2 1 281.403 3.630 20 0 CHADMP Cc1cc2c(cc1C)[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])CCS2 ZINC000424374456 330348392 /nfs/dbraw/zinc/34/83/92/330348392.db2.gz LCVMBILKHQUKOV-OWCLPIDISA-N 2 1 290.476 3.700 20 0 CHADMP CCSc1ccccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424378158 330348953 /nfs/dbraw/zinc/34/89/53/330348953.db2.gz SJDPJAACAKAKTH-NWANDNLSSA-N 2 1 278.465 3.719 20 0 CHADMP Cc1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000086279410 330369186 /nfs/dbraw/zinc/36/91/86/330369186.db2.gz SRVDICYGWMMSHB-CQSZACIVSA-N 2 1 295.386 3.933 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCCC(C)(C)C ZINC000119512655 330375213 /nfs/dbraw/zinc/37/52/13/330375213.db2.gz QBUADLPCAWEPFD-QLFBSQMISA-N 2 1 254.462 3.521 20 0 CHADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@H](c2ccco2)C1 ZINC000089614610 330386552 /nfs/dbraw/zinc/38/65/52/330386552.db2.gz ZADSIBSGUHAVKF-PMPSAXMXSA-N 2 1 276.424 3.537 20 0 CHADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@H](c2ccco2)C1 ZINC000089614610 330386553 /nfs/dbraw/zinc/38/65/53/330386553.db2.gz ZADSIBSGUHAVKF-PMPSAXMXSA-N 2 1 276.424 3.537 20 0 CHADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)[C@H](c2ccco2)C1 ZINC000089614610 330386554 /nfs/dbraw/zinc/38/65/54/330386554.db2.gz ZADSIBSGUHAVKF-PMPSAXMXSA-N 2 1 276.424 3.537 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC=CCC2)cc1 ZINC000090035959 330389900 /nfs/dbraw/zinc/38/99/00/330389900.db2.gz ZZVLOMXORVTNAC-WMLDXEAASA-N 2 1 281.403 3.940 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000090964340 330397422 /nfs/dbraw/zinc/39/74/22/330397422.db2.gz NSNHKKMVHSZSBZ-HLNSBACISA-N 2 1 290.426 3.521 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CCC(C)(C)C)cc1F ZINC000438204065 330719752 /nfs/dbraw/zinc/71/97/52/330719752.db2.gz RSADCHOHSXSEEB-UHFFFAOYSA-N 2 1 289.398 3.846 20 0 CHADMP CCC[C@H]([NH2+]CCC[NH+](CC)CC)c1ccsc1 ZINC000443086808 330794316 /nfs/dbraw/zinc/79/43/16/330794316.db2.gz PKWBUBREWBUVCZ-HNNXBMFYSA-N 2 1 268.470 3.911 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+]C(C)(C)CC1CCCCCC1 ZINC000444789402 330825952 /nfs/dbraw/zinc/82/59/52/330825952.db2.gz DLBBZAKWQVAQKM-UHFFFAOYSA-N 2 1 277.456 3.920 20 0 CHADMP CC[C@H]1CCCC[C@H]1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000449404693 330922966 /nfs/dbraw/zinc/92/29/66/330922966.db2.gz DTHAMPMUABAXDR-KBPBESRZSA-N 2 1 295.496 3.511 20 0 CHADMP CCC[C@@]1(COC)CCC[N@H+]1C[C@H]1CCCCN1C(C)C ZINC000450879102 331004441 /nfs/dbraw/zinc/00/44/41/331004441.db2.gz WDVJAYFIXRZSLV-MSOLQXFVSA-N 2 1 296.499 3.530 20 0 CHADMP CC[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccncc1 ZINC000453067757 331086060 /nfs/dbraw/zinc/08/60/60/331086060.db2.gz JDPWDOAWXNUYMX-GOSISDBHSA-N 2 1 289.467 3.777 20 0 CHADMP CC[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccncc1 ZINC000453067757 331086061 /nfs/dbraw/zinc/08/60/61/331086061.db2.gz JDPWDOAWXNUYMX-GOSISDBHSA-N 2 1 289.467 3.777 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H](C3CC3)C3CCC3)C2)cc1 ZINC000453220967 331103122 /nfs/dbraw/zinc/10/31/22/331103122.db2.gz PMWGHBNESVHUNA-YLJYHZDGSA-N 2 1 298.474 3.677 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCC[C@@H]1c1ccccc1 ZINC000453269247 331109579 /nfs/dbraw/zinc/10/95/79/331109579.db2.gz PJWZOCHFPGIDGJ-OWYHZJEWSA-N 2 1 286.463 3.500 20 0 CHADMP CC/C=C\C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453317466 331115758 /nfs/dbraw/zinc/11/57/58/331115758.db2.gz KSWKDQZITLHNKO-VTSPJMBVSA-N 2 1 284.447 3.738 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@H](C)c1ccccc1 ZINC000453390000 331127122 /nfs/dbraw/zinc/12/71/22/331127122.db2.gz CQQKDKDSWWCAHT-HZPDHXFCSA-N 2 1 274.452 3.643 20 0 CHADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453389999 331127158 /nfs/dbraw/zinc/12/71/58/331127158.db2.gz CQQKDKDSWWCAHT-HOTGVXAUSA-N 2 1 274.452 3.643 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)C1CC1 ZINC000453400994 331128600 /nfs/dbraw/zinc/12/86/00/331128600.db2.gz MNDVCVAXWMWHIH-QZTJIDSGSA-N 2 1 286.463 3.787 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000453401370 331128847 /nfs/dbraw/zinc/12/88/47/331128847.db2.gz MUDLVKWIHRTOQJ-HNNXBMFYSA-N 2 1 274.452 3.774 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)CCC2 ZINC000453409493 331129666 /nfs/dbraw/zinc/12/96/66/331129666.db2.gz UKDDUYRXHNEWIG-IBGZPJMESA-N 2 1 286.463 3.836 20 0 CHADMP Cc1ccc(C2CC([NH2+]CCCC[N@H+](C)C3CC3)C2)cc1 ZINC000453410013 331129854 /nfs/dbraw/zinc/12/98/54/331129854.db2.gz UORPXZYURPUHKO-UHFFFAOYSA-N 2 1 286.463 3.705 20 0 CHADMP C[C@H](Cc1cccc(Cl)c1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453413917 331130093 /nfs/dbraw/zinc/13/00/93/331130093.db2.gz WUJWBQUYRVLJRO-CQSZACIVSA-N 2 1 294.870 3.735 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000453413957 331130179 /nfs/dbraw/zinc/13/01/79/331130179.db2.gz WVNNQGOMSDUQFH-OLZOCXBDSA-N 2 1 292.389 3.572 20 0 CHADMP C[C@@H](C[NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(Cl)c1 ZINC000453601121 331135928 /nfs/dbraw/zinc/13/59/28/331135928.db2.gz UUBPJMVKNDFDAI-AWEZNQCLSA-N 2 1 294.870 3.908 20 0 CHADMP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccccc1 ZINC000164611160 331263007 /nfs/dbraw/zinc/26/30/07/331263007.db2.gz MRSXIUPTFTVINX-KRWDZBQOSA-N 2 1 271.408 3.713 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000459329884 331276345 /nfs/dbraw/zinc/27/63/45/331276345.db2.gz RCNPELYODMNDKQ-HKUYNNGSSA-N 2 1 286.463 3.596 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H]2C[C@H]2c2ccccc2)C[C@@H]1C ZINC000459384841 331279430 /nfs/dbraw/zinc/27/94/30/331279430.db2.gz YEANLFXPJUBEKS-KANFNMMFSA-N 2 1 286.463 3.595 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@@H]2C[C@H]2c2ccccc2)C[C@@H]1C ZINC000459384841 331279431 /nfs/dbraw/zinc/27/94/31/331279431.db2.gz YEANLFXPJUBEKS-KANFNMMFSA-N 2 1 286.463 3.595 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@@H]2C[C@H]2c2ccccc2)C[C@@H]1C ZINC000459384841 331279432 /nfs/dbraw/zinc/27/94/32/331279432.db2.gz YEANLFXPJUBEKS-KANFNMMFSA-N 2 1 286.463 3.595 20 0 CHADMP C[C@@H](CC1CCCCC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459516025 331285590 /nfs/dbraw/zinc/28/55/90/331285590.db2.gz NBOQWCKZASBPPS-AWEZNQCLSA-N 2 1 264.457 3.562 20 0 CHADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(C3CC3)cc2)CC1 ZINC000459514291 331285612 /nfs/dbraw/zinc/28/56/12/331285612.db2.gz OQLXWFUKIRYJBS-UHFFFAOYSA-N 2 1 284.447 3.624 20 0 CHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc3ccccc3s2)C1 ZINC000459723751 331295920 /nfs/dbraw/zinc/29/59/20/331295920.db2.gz CTRGUIBBHXYZIQ-CQSZACIVSA-N 2 1 288.460 3.723 20 0 CHADMP C[C@H](C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000459727070 331296136 /nfs/dbraw/zinc/29/61/36/331296136.db2.gz CDOBOPAMGNWQFT-CABCVRRESA-N 2 1 294.870 3.765 20 0 CHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc3ccccc3c2)C1 ZINC000459734971 331296807 /nfs/dbraw/zinc/29/68/07/331296807.db2.gz PDUJTXMZOCOANH-MRXNPFEDSA-N 2 1 282.431 3.661 20 0 CHADMP C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)CC1CCCCC1 ZINC000166140181 331306681 /nfs/dbraw/zinc/30/66/81/331306681.db2.gz BQUFEXVNWJQDSF-IAGOWNOFSA-N 2 1 264.457 3.563 20 0 CHADMP CC(C)=CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463278713 331344765 /nfs/dbraw/zinc/34/47/65/331344765.db2.gz HHCKPSXJRAKFFR-IEBWSBKVSA-N 2 1 286.463 3.985 20 0 CHADMP CC(C)=CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463278713 331344766 /nfs/dbraw/zinc/34/47/66/331344766.db2.gz HHCKPSXJRAKFFR-IEBWSBKVSA-N 2 1 286.463 3.985 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000463444239 331347606 /nfs/dbraw/zinc/34/76/06/331347606.db2.gz MEDCLFYVEXVJLX-JKSUJKDBSA-N 2 1 264.457 3.563 20 0 CHADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H](C)CCC(F)(F)F ZINC000480699258 331785265 /nfs/dbraw/zinc/78/52/65/331785265.db2.gz OPPJOMKKRQTSHE-QWHCGFSZSA-N 2 1 280.378 3.572 20 0 CHADMP CC(C)(C[NH2+]Cc1cc(F)cc(Cl)c1)C[NH+]1CCCC1 ZINC000480913151 331791506 /nfs/dbraw/zinc/79/15/06/331791506.db2.gz OHWYXJXAAHXPQY-UHFFFAOYSA-N 2 1 298.833 3.691 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000490042997 332078015 /nfs/dbraw/zinc/07/80/15/332078015.db2.gz PIINYIGNAZOPAH-LPHOPBHVSA-N 2 1 297.446 3.768 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000490042997 332078016 /nfs/dbraw/zinc/07/80/16/332078016.db2.gz PIINYIGNAZOPAH-LPHOPBHVSA-N 2 1 297.446 3.768 20 0 CHADMP C[C@H]([NH2+][C@H]1CCC12CCCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000249119476 334328374 /nfs/dbraw/zinc/32/83/74/334328374.db2.gz SOGJDBMKPTUXFA-BQFCYCMXSA-N 2 1 290.495 3.952 20 0 CHADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Cl)c(Cl)c1 ZINC000401770550 332759156 /nfs/dbraw/zinc/75/91/56/332759156.db2.gz DEEKPVUTRGHGRE-SNVBAGLBSA-N 2 1 298.217 3.620 20 0 CHADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000575790450 335115328 /nfs/dbraw/zinc/11/53/28/335115328.db2.gz MBXXABNCUSLTOM-ZIAGYGMSSA-N 2 1 282.859 3.762 20 0 CHADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000575790450 335115329 /nfs/dbraw/zinc/11/53/29/335115329.db2.gz MBXXABNCUSLTOM-ZIAGYGMSSA-N 2 1 282.859 3.762 20 0 CHADMP C[C@H]1CC[C@H]1[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000513047682 333001402 /nfs/dbraw/zinc/00/14/02/333001402.db2.gz UPUOORTUXDBASL-DOTOQJQBSA-N 2 1 274.452 3.533 20 0 CHADMP c1cc2[nH+]ccc(NC3CC[NH+](CC4CC4)CC3)c2s1 ZINC000174692715 333005744 /nfs/dbraw/zinc/00/57/44/333005744.db2.gz SAJLZOFUQCOMHB-UHFFFAOYSA-N 2 1 287.432 3.583 20 0 CHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]C4CCC4)[C@H]3C2)cc1 ZINC000513656745 333029724 /nfs/dbraw/zinc/02/97/24/333029724.db2.gz XBWNRRMEQNUSPT-YSIASYRMSA-N 2 1 298.474 3.819 20 0 CHADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000513894197 333047650 /nfs/dbraw/zinc/04/76/50/333047650.db2.gz IQCPFWPNKGTSKD-KRWDZBQOSA-N 2 1 278.415 3.695 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000513894197 333047651 /nfs/dbraw/zinc/04/76/51/333047651.db2.gz IQCPFWPNKGTSKD-KRWDZBQOSA-N 2 1 278.415 3.695 20 0 CHADMP C[C@H]([NH2+]C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309813911 333049875 /nfs/dbraw/zinc/04/98/75/333049875.db2.gz XHNTVCMSPNKWLV-WMZOPIPTSA-N 2 1 286.463 3.819 20 0 CHADMP CC(C)C[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309881045 333051092 /nfs/dbraw/zinc/05/10/92/333051092.db2.gz WAAMVWXADDADEH-YQVWRLOYSA-N 2 1 288.479 3.921 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CCC(C)C)C2CC2)C1 ZINC000517042772 333090619 /nfs/dbraw/zinc/09/06/19/333090619.db2.gz ADVJPZKPNVNIMB-DOTOQJQBSA-N 2 1 266.473 3.523 20 0 CHADMP CC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000517144114 333093364 /nfs/dbraw/zinc/09/33/64/333093364.db2.gz HALHQLWXJMJGQR-KRWDZBQOSA-N 2 1 286.463 3.819 20 0 CHADMP CC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000517144114 333093365 /nfs/dbraw/zinc/09/33/65/333093365.db2.gz HALHQLWXJMJGQR-KRWDZBQOSA-N 2 1 286.463 3.819 20 0 CHADMP CSc1ccc(C[NH2+]CCC[NH+]2CCC(C)CC2)s1 ZINC000521120685 333111954 /nfs/dbraw/zinc/11/19/54/333111954.db2.gz FXZKECHXHWWBFN-UHFFFAOYSA-N 2 1 298.521 3.682 20 0 CHADMP C/C(=C/c1ccccc1)C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000521236553 333116052 /nfs/dbraw/zinc/11/60/52/333116052.db2.gz KLRWAUXIMCVACE-GTVARFKMSA-N 2 1 286.463 3.800 20 0 CHADMP CCCC1CCC([NH2+]CC[N@H+](C)[C@H](C)CC)CC1 ZINC000217398754 333120752 /nfs/dbraw/zinc/12/07/52/333120752.db2.gz OPZOQAPWQDQPCS-QQFBHYJXSA-N 2 1 254.462 3.665 20 0 CHADMP CCCC1CCC([NH2+]CC[N@@H+](C)[C@H](C)CC)CC1 ZINC000217398754 333120753 /nfs/dbraw/zinc/12/07/53/333120753.db2.gz OPZOQAPWQDQPCS-QQFBHYJXSA-N 2 1 254.462 3.665 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CCC2=CCCCCC2)[C@H](C)C1 ZINC000184574648 333130065 /nfs/dbraw/zinc/13/00/65/333130065.db2.gz VPBCJWIWSSZWSA-WBVHZDCISA-N 2 1 264.457 3.587 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC1=CCCCCC1 ZINC000184576395 333130106 /nfs/dbraw/zinc/13/01/06/333130106.db2.gz JJHWJNIMNXRBAF-INMHGKMJSA-N 2 1 264.457 3.585 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000219375132 333148174 /nfs/dbraw/zinc/14/81/74/333148174.db2.gz HCNVXDFWNWFEGB-MRXNPFEDSA-N 2 1 262.441 3.500 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1CCSCC1 ZINC000187010520 333167242 /nfs/dbraw/zinc/16/72/42/333167242.db2.gz NHJMVFMTNYLCHB-CVEARBPZSA-N 2 1 298.540 3.762 20 0 CHADMP CC[C@H](NCCC[N@@H+](C)C(C)C)c1ccccc1F ZINC000226564237 333264738 /nfs/dbraw/zinc/26/47/38/333264738.db2.gz NOAZJXZFVJLTBQ-INIZCTEOSA-N 2 1 266.404 3.597 20 0 CHADMP CC[C@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccccc1F ZINC000226564237 333264739 /nfs/dbraw/zinc/26/47/39/333264739.db2.gz NOAZJXZFVJLTBQ-INIZCTEOSA-N 2 1 266.404 3.597 20 0 CHADMP CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccccc1F ZINC000226564237 333264740 /nfs/dbraw/zinc/26/47/40/333264740.db2.gz NOAZJXZFVJLTBQ-INIZCTEOSA-N 2 1 266.404 3.597 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC[N@H+]1C ZINC000227297820 333279823 /nfs/dbraw/zinc/27/98/23/333279823.db2.gz CSTGYHICZNBFQO-DQYPLSBCSA-N 2 1 292.854 3.863 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC[N@H+]1C ZINC000227297808 333279915 /nfs/dbraw/zinc/27/99/15/333279915.db2.gz CSTGYHICZNBFQO-JLZZUVOBSA-N 2 1 292.854 3.863 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000227540312 333285490 /nfs/dbraw/zinc/28/54/90/333285490.db2.gz IXPJAADLKYITRS-KZNAEPCWSA-N 2 1 266.388 3.872 20 0 CHADMP [NH3+]CCC[N@H+](Cc1ccc(Cl)s1)Cc1ccccc1 ZINC000230006798 333312298 /nfs/dbraw/zinc/31/22/98/333312298.db2.gz OQOPKVKCUMSFLQ-UHFFFAOYSA-N 2 1 294.851 3.753 20 0 CHADMP [NH3+]CCC[N@@H+](Cc1ccc(Cl)s1)Cc1ccccc1 ZINC000230006798 333312299 /nfs/dbraw/zinc/31/22/99/333312299.db2.gz OQOPKVKCUMSFLQ-UHFFFAOYSA-N 2 1 294.851 3.753 20 0 CHADMP C[C@@H](C[NH2+]Cc1ccc(Cl)s1)C[NH+]1CCCCC1 ZINC000037997646 333544094 /nfs/dbraw/zinc/54/40/94/333544094.db2.gz RVCBRZWTLAJTNO-LBPRGKRZSA-N 2 1 286.872 3.613 20 0 CHADMP CC(C)[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cc2ccccc2o1 ZINC000530407347 333546551 /nfs/dbraw/zinc/54/65/51/333546551.db2.gz CBJLNYSMWMOXRF-GOSISDBHSA-N 2 1 297.402 3.696 20 0 CHADMP CCC[C@H](CC)[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000539495319 333674164 /nfs/dbraw/zinc/67/41/64/333674164.db2.gz LTVIAKGNKTZETQ-INIZCTEOSA-N 2 1 296.499 3.578 20 0 CHADMP CC[C@@H]1CCC[C@@H]([NH2+]CC[NH+](C(C)C)C(C)C)C1 ZINC000071104564 333843464 /nfs/dbraw/zinc/84/34/64/333843464.db2.gz LETLOWANXVAFTC-HZPDHXFCSA-N 2 1 254.462 3.664 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)C2CCC2)o1 ZINC000543592974 333882651 /nfs/dbraw/zinc/88/26/51/333882651.db2.gz ZDSBRKABYFJZKQ-SOLBZPMBSA-N 2 1 290.451 3.892 20 0 CHADMP Cc1ccc([C@H]2CCCC[N@H+]2CCCc2c[nH+]cn2C)cc1 ZINC000576169288 335164079 /nfs/dbraw/zinc/16/40/79/335164079.db2.gz DPKKSMGTNJCTRI-LJQANCHMSA-N 2 1 297.446 3.888 20 0 CHADMP Cc1ccc([C@H]2CCCC[N@@H+]2CCCc2c[nH+]cn2C)cc1 ZINC000576169288 335164080 /nfs/dbraw/zinc/16/40/80/335164080.db2.gz DPKKSMGTNJCTRI-LJQANCHMSA-N 2 1 297.446 3.888 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CC)CCCCC2)[C@@H](C)C1 ZINC000546573669 334038734 /nfs/dbraw/zinc/03/87/34/334038734.db2.gz QVDDDHTVBLNFPE-HOTGVXAUSA-N 2 1 266.473 3.667 20 0 CHADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccccc3)o2)C1 ZINC000237186078 334083137 /nfs/dbraw/zinc/08/31/37/334083137.db2.gz CCDNVFVOMLNFAD-IAGOWNOFSA-N 2 1 298.430 3.909 20 0 CHADMP CC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000078005377 334120416 /nfs/dbraw/zinc/12/04/16/334120416.db2.gz SVEVILMLJCIZTN-QFBILLFUSA-N 2 1 286.463 3.819 20 0 CHADMP CC1(C)CC(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000548372691 334152657 /nfs/dbraw/zinc/15/26/57/334152657.db2.gz VEKCDPMDNZXCPV-UHFFFAOYSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@H](c1ccccc1F)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245438537 334193551 /nfs/dbraw/zinc/19/35/51/334193551.db2.gz FLABVUKDPKXGQZ-CVEARBPZSA-N 2 1 290.426 3.695 20 0 CHADMP C[C@H](c1ccccc1F)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245438537 334193552 /nfs/dbraw/zinc/19/35/52/334193552.db2.gz FLABVUKDPKXGQZ-CVEARBPZSA-N 2 1 290.426 3.695 20 0 CHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+]([C@H]2C=CCCCCC2)C1 ZINC000549464464 334194713 /nfs/dbraw/zinc/19/47/13/334194713.db2.gz CNLFKFZFGUWNIU-ROUUACIJSA-N 2 1 276.468 3.539 20 0 CHADMP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](CC)c2ccc(F)cc2)C1 ZINC000081584719 334198284 /nfs/dbraw/zinc/19/82/84/334198284.db2.gz NGWBJZOKEICMTD-QAPCUYQASA-N 2 1 292.442 3.941 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](CC)c2ccc(F)cc2)C1 ZINC000081584719 334198285 /nfs/dbraw/zinc/19/82/85/334198285.db2.gz NGWBJZOKEICMTD-QAPCUYQASA-N 2 1 292.442 3.941 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](CC)c2ccc(F)cc2)C1 ZINC000081584719 334198287 /nfs/dbraw/zinc/19/82/87/334198287.db2.gz NGWBJZOKEICMTD-QAPCUYQASA-N 2 1 292.442 3.941 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](CC)c2ccc(F)cc2)C1 ZINC000081584719 334198288 /nfs/dbraw/zinc/19/82/88/334198288.db2.gz NGWBJZOKEICMTD-QAPCUYQASA-N 2 1 292.442 3.941 20 0 CHADMP CC(C)c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000549839865 334206274 /nfs/dbraw/zinc/20/62/74/334206274.db2.gz AROJEOWVOTWNPT-IBGZPJMESA-N 2 1 286.463 3.728 20 0 CHADMP CC(C)c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000549839865 334206276 /nfs/dbraw/zinc/20/62/76/334206276.db2.gz AROJEOWVOTWNPT-IBGZPJMESA-N 2 1 286.463 3.728 20 0 CHADMP CC(C)c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000549839865 334206277 /nfs/dbraw/zinc/20/62/77/334206277.db2.gz AROJEOWVOTWNPT-IBGZPJMESA-N 2 1 286.463 3.728 20 0 CHADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(F)c(Cl)c2)[C@@H](C)C1 ZINC000245761856 334218391 /nfs/dbraw/zinc/21/83/91/334218391.db2.gz PWKCEOWHDLVCEE-LRDDRELGSA-N 2 1 298.833 3.641 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)c(Cl)c2)[C@@H](C)C1 ZINC000245761856 334218396 /nfs/dbraw/zinc/21/83/96/334218396.db2.gz PWKCEOWHDLVCEE-LRDDRELGSA-N 2 1 298.833 3.641 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)c(Cl)c2)[C@@H](C)C1 ZINC000245761856 334218398 /nfs/dbraw/zinc/21/83/98/334218398.db2.gz PWKCEOWHDLVCEE-LRDDRELGSA-N 2 1 298.833 3.641 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC2CCC2)C3)cc1 ZINC000245788484 334219918 /nfs/dbraw/zinc/21/99/18/334219918.db2.gz ZVJIUVZLUFILMV-LDLYASANSA-N 2 1 284.447 3.572 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245809244 334220387 /nfs/dbraw/zinc/22/03/87/334220387.db2.gz ZBSFMCDHEHHQPS-GOEBONIOSA-N 2 1 294.870 3.871 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245809244 334220388 /nfs/dbraw/zinc/22/03/88/334220388.db2.gz ZBSFMCDHEHHQPS-GOEBONIOSA-N 2 1 294.870 3.871 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245809244 334220390 /nfs/dbraw/zinc/22/03/90/334220390.db2.gz ZBSFMCDHEHHQPS-GOEBONIOSA-N 2 1 294.870 3.871 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245809244 334220392 /nfs/dbraw/zinc/22/03/92/334220392.db2.gz ZBSFMCDHEHHQPS-GOEBONIOSA-N 2 1 294.870 3.871 20 0 CHADMP CSc1cc(C)ccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000247034331 334274337 /nfs/dbraw/zinc/27/43/37/334274337.db2.gz LLDZLMIAFUHIBP-IJEWVQPXSA-N 2 1 292.492 3.535 20 0 CHADMP CSc1cc(C)ccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000247034331 334274339 /nfs/dbraw/zinc/27/43/39/334274339.db2.gz LLDZLMIAFUHIBP-IJEWVQPXSA-N 2 1 292.492 3.535 20 0 CHADMP CC1=CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000550934383 334234307 /nfs/dbraw/zinc/23/43/07/334234307.db2.gz BUIGAHCMAUTOAB-AEFFLSMTSA-N 2 1 276.468 3.872 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]C2CCCCC2)C[C@H]1c1ccccc1 ZINC000550996309 334235801 /nfs/dbraw/zinc/23/58/01/334235801.db2.gz RINJRTICHNDLIX-MSOLQXFVSA-N 2 1 272.436 3.744 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]C2CCCCC2)C[C@H]1c1ccccc1 ZINC000550996309 334235802 /nfs/dbraw/zinc/23/58/02/334235802.db2.gz RINJRTICHNDLIX-MSOLQXFVSA-N 2 1 272.436 3.744 20 0 CHADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3F)CC2)C1 ZINC000551309132 334246350 /nfs/dbraw/zinc/24/63/50/334246350.db2.gz ZPSWHTJVTYNZGZ-PQEBFOHHSA-N 2 1 282.447 3.510 20 0 CHADMP C(C1CCCCC1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246447328 334257842 /nfs/dbraw/zinc/25/78/42/334257842.db2.gz DQADZARDUDACJO-FUHWJXTLSA-N 2 1 276.468 3.515 20 0 CHADMP C(C1CCCCC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246447328 334257843 /nfs/dbraw/zinc/25/78/43/334257843.db2.gz DQADZARDUDACJO-FUHWJXTLSA-N 2 1 276.468 3.515 20 0 CHADMP C(C1CCCCC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246447328 334257844 /nfs/dbraw/zinc/25/78/44/334257844.db2.gz DQADZARDUDACJO-FUHWJXTLSA-N 2 1 276.468 3.515 20 0 CHADMP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000246856362 334270659 /nfs/dbraw/zinc/27/06/59/334270659.db2.gz BSIZYJQXWABHGE-OFQRWUPVSA-N 2 1 265.445 3.632 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)C2CCCCC2)C1 ZINC000246878172 334271131 /nfs/dbraw/zinc/27/11/31/334271131.db2.gz CPGXIRYLKOORBA-HZPDHXFCSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C1CCCC1 ZINC000247240762 334277999 /nfs/dbraw/zinc/27/79/99/334277999.db2.gz YYKUVBWUDRGPQG-JKSUJKDBSA-N 2 1 266.473 3.667 20 0 CHADMP CCCC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248401855 334300329 /nfs/dbraw/zinc/30/03/29/334300329.db2.gz TVDCJIHVBUVXCY-VQFNDLOPSA-N 2 1 274.452 3.533 20 0 CHADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1Cl ZINC000248412038 334300448 /nfs/dbraw/zinc/30/04/48/334300448.db2.gz JAAPXWULQYUZIK-DZGCQCFKSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1Cl ZINC000248412038 334300449 /nfs/dbraw/zinc/30/04/49/334300449.db2.gz JAAPXWULQYUZIK-DZGCQCFKSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1Cl ZINC000248412038 334300451 /nfs/dbraw/zinc/30/04/51/334300451.db2.gz JAAPXWULQYUZIK-DZGCQCFKSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1Cl ZINC000248412038 334300453 /nfs/dbraw/zinc/30/04/53/334300453.db2.gz JAAPXWULQYUZIK-DZGCQCFKSA-N 2 1 280.843 3.563 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](C)Cc2ccccc2)C1 ZINC000248573009 334306683 /nfs/dbraw/zinc/30/66/83/334306683.db2.gz MOOVHOFWSOLDME-IEBWSBKVSA-N 2 1 288.479 3.529 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000248573009 334306684 /nfs/dbraw/zinc/30/66/84/334306684.db2.gz MOOVHOFWSOLDME-IEBWSBKVSA-N 2 1 288.479 3.529 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000248573009 334306686 /nfs/dbraw/zinc/30/66/86/334306686.db2.gz MOOVHOFWSOLDME-IEBWSBKVSA-N 2 1 288.479 3.529 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)CC(C)C)CC1 ZINC000552243516 334307583 /nfs/dbraw/zinc/30/75/83/334307583.db2.gz FJGLDMUKOPMSEK-MRXNPFEDSA-N 2 1 268.489 3.865 20 0 CHADMP COc1ccsc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000248636073 334310157 /nfs/dbraw/zinc/31/01/57/334310157.db2.gz KVESGXJFVPADDZ-ZIAGYGMSSA-N 2 1 296.480 3.672 20 0 CHADMP COc1ccsc1[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000248636073 334310159 /nfs/dbraw/zinc/31/01/59/334310159.db2.gz KVESGXJFVPADDZ-ZIAGYGMSSA-N 2 1 296.480 3.672 20 0 CHADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1csc(Cl)c1 ZINC000248722510 334314576 /nfs/dbraw/zinc/31/45/76/334314576.db2.gz SYSQBHRZUWPGBL-WCFLWFBJSA-N 2 1 286.872 3.925 20 0 CHADMP Cc1cc(Cl)ccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248765740 334316720 /nfs/dbraw/zinc/31/67/20/334316720.db2.gz WZODALKXZCAZNP-XJKSGUPXSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(Cl)ccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248765740 334316722 /nfs/dbraw/zinc/31/67/22/334316722.db2.gz WZODALKXZCAZNP-XJKSGUPXSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(Cl)ccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000248765740 334316724 /nfs/dbraw/zinc/31/67/24/334316724.db2.gz WZODALKXZCAZNP-XJKSGUPXSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000248765740 334316725 /nfs/dbraw/zinc/31/67/25/334316725.db2.gz WZODALKXZCAZNP-XJKSGUPXSA-N 2 1 280.843 3.563 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000249203625 334330153 /nfs/dbraw/zinc/33/01/53/334330153.db2.gz UZEIDMTYZZHKME-POAQFYNOSA-N 2 1 298.474 3.571 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cccc(O)c1 ZINC000249511998 334335126 /nfs/dbraw/zinc/33/51/26/334335126.db2.gz IKAXWSXHDYYZTD-JKSUJKDBSA-N 2 1 290.451 3.697 20 0 CHADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)c2ccc(C(C)C)cc2)C1 ZINC000250576673 334346301 /nfs/dbraw/zinc/34/63/01/334346301.db2.gz PEUNAVKHVPHPBT-CVEARBPZSA-N 2 1 274.452 3.802 20 0 CHADMP CC(C)Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000250585940 334346876 /nfs/dbraw/zinc/34/68/76/334346876.db2.gz XXJNAKUPXGHOOP-OALUTQOASA-N 2 1 286.463 3.602 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@H]2c2ccccc2)C1 ZINC000250607116 334347077 /nfs/dbraw/zinc/34/70/77/334347077.db2.gz LOBWDUYAABQIDW-NEWSRXKRSA-N 2 1 286.463 3.644 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)Cc1ccccc1 ZINC000090016004 334355793 /nfs/dbraw/zinc/35/57/93/334355793.db2.gz NAHROUQCPPEVPL-JFIYKMOQSA-N 2 1 288.479 3.574 20 0 CHADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000251310737 334359792 /nfs/dbraw/zinc/35/97/92/334359792.db2.gz JXKXGTPLPHKAOL-SQNIBIBYSA-N 2 1 290.426 3.739 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCc3ccccc32)CC[N@@H+]1C ZINC000251715354 334367920 /nfs/dbraw/zinc/36/79/20/334367920.db2.gz BUORVAQHVXGKBC-HFTRVMKXSA-N 2 1 272.436 3.526 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCc3ccccc32)CC[N@H+]1C ZINC000251715354 334367923 /nfs/dbraw/zinc/36/79/23/334367923.db2.gz BUORVAQHVXGKBC-HFTRVMKXSA-N 2 1 272.436 3.526 20 0 CHADMP C[C@@H]1C[C@@H](N[C@H]2CCCc3sc(Cl)cc32)CC[N@@H+]1C ZINC000251747045 334368551 /nfs/dbraw/zinc/36/85/51/334368551.db2.gz CZWHYRMAOUYXCF-MDZLAQPJSA-N 2 1 298.883 3.851 20 0 CHADMP C[C@@H]1C[C@@H](N[C@H]2CCCc3sc(Cl)cc32)CC[N@H+]1C ZINC000251747045 334368553 /nfs/dbraw/zinc/36/85/53/334368553.db2.gz CZWHYRMAOUYXCF-MDZLAQPJSA-N 2 1 298.883 3.851 20 0 CHADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000252175608 334375715 /nfs/dbraw/zinc/37/57/15/334375715.db2.gz OXESROMZUYCIDW-HZPDHXFCSA-N 2 1 290.451 3.610 20 0 CHADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252419971 334379308 /nfs/dbraw/zinc/37/93/08/334379308.db2.gz XBNCOFTXYQOTFJ-XHLLLEBJSA-N 2 1 278.484 3.662 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000268801603 334716573 /nfs/dbraw/zinc/71/65/73/334716573.db2.gz JIWJWTZUQCRSPT-CQSZACIVSA-N 2 1 271.408 3.666 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC000164615124 334884305 /nfs/dbraw/zinc/88/43/05/334884305.db2.gz FFXKNPCAOFPOHY-MRXNPFEDSA-N 2 1 285.435 3.939 20 0 CHADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000576436125 335203022 /nfs/dbraw/zinc/20/30/22/335203022.db2.gz LVZMISUGNBJXKC-KBAYOESNSA-N 2 1 274.452 3.641 20 0 CHADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000576436125 335203024 /nfs/dbraw/zinc/20/30/24/335203024.db2.gz LVZMISUGNBJXKC-KBAYOESNSA-N 2 1 274.452 3.641 20 0 CHADMP CC1=C[C@H](C)C[C@@H](C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000576438600 335203603 /nfs/dbraw/zinc/20/36/03/335203603.db2.gz RZEAGSXFMMUSNS-WDYCEAGBSA-N 2 1 290.495 3.643 20 0 CHADMP CC1(C)CC(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000576576120 335220606 /nfs/dbraw/zinc/22/06/06/335220606.db2.gz KLTWAVXQKVNFBL-SJORKVTESA-N 2 1 272.436 3.506 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)CCc2ccccc2)C1 ZINC000176282207 335256445 /nfs/dbraw/zinc/25/64/45/335256445.db2.gz OREMQJXMFQRYOZ-HKUYNNGSSA-N 2 1 288.479 3.671 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)CCc2ccccc2)C1 ZINC000176282207 335256446 /nfs/dbraw/zinc/25/64/46/335256446.db2.gz OREMQJXMFQRYOZ-HKUYNNGSSA-N 2 1 288.479 3.671 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)CCc2ccccc2)C1 ZINC000176282207 335256447 /nfs/dbraw/zinc/25/64/47/335256447.db2.gz OREMQJXMFQRYOZ-HKUYNNGSSA-N 2 1 288.479 3.671 20 0 CHADMP C[C@H](C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1cccc(Cl)c1 ZINC000577062578 335293730 /nfs/dbraw/zinc/29/37/30/335293730.db2.gz LOGQTASFDZIMLW-PBHICJAKSA-N 2 1 292.854 3.519 20 0 CHADMP C[C@@H](C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1cccc(Cl)c1 ZINC000577062581 335293758 /nfs/dbraw/zinc/29/37/58/335293758.db2.gz LOGQTASFDZIMLW-YOEHRIQHSA-N 2 1 292.854 3.519 20 0 CHADMP CC1=CC[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000577394961 335348026 /nfs/dbraw/zinc/34/80/26/335348026.db2.gz HBULFIVSJOUFQF-MOPGFXCFSA-N 2 1 284.447 3.597 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCc2ccc(C)cc21 ZINC000178957517 335465532 /nfs/dbraw/zinc/46/55/32/335465532.db2.gz AUTKJVPAEHYMJQ-BEFAXECRSA-N 2 1 297.446 3.803 20 0 CHADMP CC(C)CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C(C)(C)C ZINC000581154169 336016486 /nfs/dbraw/zinc/01/64/86/336016486.db2.gz CAWHQAVNMDHJGP-HZPDHXFCSA-N 2 1 268.489 3.769 20 0 CHADMP Cc1cccc(CC[C@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C)c1 ZINC000380791941 336030167 /nfs/dbraw/zinc/03/01/67/336030167.db2.gz IPUHMPJPZMLBFO-IRXDYDNUSA-N 2 1 276.468 3.634 20 0 CHADMP Cc1cccc(CC[C@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C)c1 ZINC000380791941 336030168 /nfs/dbraw/zinc/03/01/68/336030168.db2.gz IPUHMPJPZMLBFO-IRXDYDNUSA-N 2 1 276.468 3.634 20 0 CHADMP Cc1cc(C)c([C@@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C)c1 ZINC000386408947 336172711 /nfs/dbraw/zinc/17/27/11/336172711.db2.gz XKOKHLFNYUSNBD-KURKYZTESA-N 2 1 286.463 3.604 20 0 CHADMP C/C(=C\c1ccccc1)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289932761 518443098 /nfs/dbraw/zinc/44/30/98/518443098.db2.gz XYPIEKBNYCBTJM-AKRQZOCXSA-N 2 1 284.447 3.647 20 0 CHADMP C/C(=C\c1ccccc1)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289932761 518443101 /nfs/dbraw/zinc/44/31/01/518443101.db2.gz XYPIEKBNYCBTJM-AKRQZOCXSA-N 2 1 284.447 3.647 20 0 CHADMP C/C(=C\c1ccccc1)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289932761 518443103 /nfs/dbraw/zinc/44/31/03/518443103.db2.gz XYPIEKBNYCBTJM-AKRQZOCXSA-N 2 1 284.447 3.647 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1nccc2ccccc21 ZINC000289696424 519617584 /nfs/dbraw/zinc/61/75/84/519617584.db2.gz KFHHOSYLNTVQBC-OAHLLOKOSA-N 2 1 285.435 3.616 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1nccc2ccccc21 ZINC000289696424 519617591 /nfs/dbraw/zinc/61/75/91/519617591.db2.gz KFHHOSYLNTVQBC-OAHLLOKOSA-N 2 1 285.435 3.616 20 0 CHADMP CC(C)[N@H+](Cc1cccc(Cl)c1)C[C@H]1CCC[NH2+]C1 ZINC000226436086 519655856 /nfs/dbraw/zinc/65/58/56/519655856.db2.gz QBLPSSMMRSAWHB-HNNXBMFYSA-N 2 1 280.843 3.550 20 0 CHADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000127846909 519821537 /nfs/dbraw/zinc/82/15/37/519821537.db2.gz BGPAQWZNTRRHPU-KSZLIROESA-N 2 1 272.436 3.600 20 0 CHADMP CCCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC)CC2)cc1 ZINC000038097946 520414707 /nfs/dbraw/zinc/41/47/07/520414707.db2.gz ZAWHOKHWBLWRAU-OAHLLOKOSA-N 2 1 290.451 3.610 20 0 CHADMP CCC[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccsc1 ZINC000278971373 520780123 /nfs/dbraw/zinc/78/01/23/520780123.db2.gz NOOAQUQBTMJCKN-UKRRQHHQSA-N 2 1 289.448 3.638 20 0 CHADMP CC[N@@H+](CCC1CC[NH2+]CC1)Cc1cccc(Cl)c1 ZINC000359212207 521001810 /nfs/dbraw/zinc/00/18/10/521001810.db2.gz GFMDIYNOAAFRCO-UHFFFAOYSA-N 2 1 280.843 3.552 20 0 CHADMP CCSCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340380003 521705207 /nfs/dbraw/zinc/70/52/07/521705207.db2.gz BGQHFTMLSTZXIN-SJORKVTESA-N 2 1 292.492 3.555 20 0 CHADMP CCSCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340380003 521705210 /nfs/dbraw/zinc/70/52/10/521705210.db2.gz BGQHFTMLSTZXIN-SJORKVTESA-N 2 1 292.492 3.555 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C(F)F)c2)[C@H](C)C1 ZINC000279185631 521720516 /nfs/dbraw/zinc/72/05/16/521720516.db2.gz CCPKUXOXRKIYHZ-CJNGLKHVSA-N 2 1 296.405 3.786 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C(F)F)c2)[C@H](C)C1 ZINC000279185631 521720517 /nfs/dbraw/zinc/72/05/17/521720517.db2.gz CCPKUXOXRKIYHZ-CJNGLKHVSA-N 2 1 296.405 3.786 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C(F)F)c2)[C@H](C)C1 ZINC000279185631 521720518 /nfs/dbraw/zinc/72/05/18/521720518.db2.gz CCPKUXOXRKIYHZ-CJNGLKHVSA-N 2 1 296.405 3.786 20 0 CHADMP CC[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000052206364 522840427 /nfs/dbraw/zinc/84/04/27/522840427.db2.gz SAKWQDYGKWTFJR-IAGOWNOFSA-N 2 1 260.425 3.602 20 0 CHADMP C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cn1)C[NH+]1CCCCC1 ZINC000274821007 524496307 /nfs/dbraw/zinc/49/63/07/524496307.db2.gz BSDVOIFKFTVLJJ-KGLIPLIRSA-N 2 1 295.858 3.508 20 0 CHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C3CCC3)cc2)CC[N@H+]1C ZINC000277285103 524923354 /nfs/dbraw/zinc/92/33/54/524923354.db2.gz SXKRIDXUQYEIAK-KBXCAEBGSA-N 2 1 272.436 3.526 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000279840846 525292109 /nfs/dbraw/zinc/29/21/09/525292109.db2.gz HPAYBYAGHPMPKT-OLZOCXBDSA-N 2 1 280.843 3.516 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@H](C)c1ccc(Cl)cc1 ZINC000279840850 525402445 /nfs/dbraw/zinc/40/24/45/525402445.db2.gz HPAYBYAGHPMPKT-QWHCGFSZSA-N 2 1 280.843 3.516 20 0 CHADMP Cc1ccsc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000125833730 525887050 /nfs/dbraw/zinc/88/70/50/525887050.db2.gz ROVLIPWLSNWMRH-GJZGRUSLSA-N 2 1 280.481 3.828 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C2CC2)cc1 ZINC000129938943 525973160 /nfs/dbraw/zinc/97/31/60/525973160.db2.gz RLTSCSYVHFHCFY-OLMNPRSZSA-N 2 1 272.436 3.518 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C2CC2)cc1 ZINC000129938943 525973166 /nfs/dbraw/zinc/97/31/66/525973166.db2.gz RLTSCSYVHFHCFY-OLMNPRSZSA-N 2 1 272.436 3.518 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000226436809 526050280 /nfs/dbraw/zinc/05/02/80/526050280.db2.gz LFUVZJGNKGKHRC-ZIAGYGMSSA-N 2 1 292.854 3.865 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1c[nH+]ccc1N(C)C)CCC2 ZINC000291752498 526209627 /nfs/dbraw/zinc/20/96/27/526209627.db2.gz QHEBSPQMCAZARJ-GOSISDBHSA-N 2 1 295.430 3.623 20 0 CHADMP Cc1nc(C)c([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)s1 ZINC000111361565 526752111 /nfs/dbraw/zinc/75/21/11/526752111.db2.gz JZSZDNVSMLFLPR-LBPRGKRZSA-N 2 1 295.496 3.673 20 0 CHADMP Cc1sccc1C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000339320886 526915121 /nfs/dbraw/zinc/91/51/21/526915121.db2.gz MUVUAFQIIPOQQC-OAHLLOKOSA-N 2 1 280.481 3.514 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2CCC2)cc1 ZINC000157523739 527377421 /nfs/dbraw/zinc/37/74/21/527377421.db2.gz QCYOMSHVELWAFM-CYBMUJFWSA-N 2 1 269.392 3.631 20 0 CHADMP [NH3+][C@H]1CCC[C@@H](CNc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000227668229 527402992 /nfs/dbraw/zinc/40/29/92/527402992.db2.gz QTLKOHPCRHLEHY-YPMHNXCESA-N 2 1 289.810 3.818 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(SC)cc2)C[C@@H]1C ZINC000353749025 527756294 /nfs/dbraw/zinc/75/62/94/527756294.db2.gz RQNCJCZFQLSNPE-GOEBONIOSA-N 2 1 292.492 3.713 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(SC)cc2)C[C@@H]1C ZINC000353749025 527756302 /nfs/dbraw/zinc/75/63/02/527756302.db2.gz RQNCJCZFQLSNPE-GOEBONIOSA-N 2 1 292.492 3.713 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(SC)cc2)C[C@@H]1C ZINC000353749025 527756306 /nfs/dbraw/zinc/75/63/06/527756306.db2.gz RQNCJCZFQLSNPE-GOEBONIOSA-N 2 1 292.492 3.713 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)sc2C)C[C@H]1C ZINC000353748903 527834765 /nfs/dbraw/zinc/83/47/65/527834765.db2.gz STKXTXKKTVPCJQ-WBMJQRKESA-N 2 1 280.481 3.670 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)sc2C)C[C@H]1C ZINC000353748903 527834768 /nfs/dbraw/zinc/83/47/68/527834768.db2.gz STKXTXKKTVPCJQ-WBMJQRKESA-N 2 1 280.481 3.670 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)sc2C)C[C@H]1C ZINC000353748903 527834774 /nfs/dbraw/zinc/83/47/74/527834774.db2.gz STKXTXKKTVPCJQ-WBMJQRKESA-N 2 1 280.481 3.670 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)sc2C)C[C@H]1C ZINC000353748903 527834780 /nfs/dbraw/zinc/83/47/80/527834780.db2.gz STKXTXKKTVPCJQ-WBMJQRKESA-N 2 1 280.481 3.670 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3cccnc32)C[C@H]1C ZINC000353746944 527835042 /nfs/dbraw/zinc/83/50/42/527835042.db2.gz LXSSLXJKRPCUDC-QAPCUYQASA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3cccnc32)C[C@H]1C ZINC000353746944 527835047 /nfs/dbraw/zinc/83/50/47/527835047.db2.gz LXSSLXJKRPCUDC-QAPCUYQASA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3cccnc32)C[C@H]1C ZINC000353746944 527835050 /nfs/dbraw/zinc/83/50/50/527835050.db2.gz LXSSLXJKRPCUDC-QAPCUYQASA-N 2 1 297.446 3.539 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccc(C)cc32)[C@H](C)C1 ZINC000352611843 527889764 /nfs/dbraw/zinc/88/97/64/527889764.db2.gz KNWOXNDLGGOMIV-MNEFBYGVSA-N 2 1 286.463 3.692 20 0 CHADMP CCC(CC)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192929984 528762536 /nfs/dbraw/zinc/76/25/36/528762536.db2.gz XSVOEFLDELXHAU-SFHVURJKSA-N 2 1 274.452 3.534 20 0 CHADMP CCCC[C@H](CC)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352240548 528912868 /nfs/dbraw/zinc/91/28/68/528912868.db2.gz IHRDRWAMOUDYAC-ZDUSSCGKSA-N 2 1 283.485 3.511 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3occc3c2)C1 ZINC000352766426 529024253 /nfs/dbraw/zinc/02/42/53/529024253.db2.gz WSZQSIBEZZNLNB-MRXNPFEDSA-N 2 1 286.419 3.643 20 0 CHADMP C[C@@H]1CCC[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000086670905 1125478250 /nfs/dbraw/zinc/47/82/50/1125478250.db2.gz SIWVEWAYCNDDOC-IAGOWNOFSA-N 2 1 278.484 3.953 20 0 CHADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1c1cccs1 ZINC000193458754 1118066457 /nfs/dbraw/zinc/06/64/57/1118066457.db2.gz IVIVVGSUOHFUJH-AWEZNQCLSA-N 2 1 266.454 3.617 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1c1cccs1 ZINC000193458754 1118066462 /nfs/dbraw/zinc/06/64/62/1118066462.db2.gz IVIVVGSUOHFUJH-AWEZNQCLSA-N 2 1 266.454 3.617 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1cccnc1 ZINC000112527194 1125486826 /nfs/dbraw/zinc/48/68/26/1125486826.db2.gz NKLDKZPDNBUMFG-INIZCTEOSA-N 2 1 297.446 3.773 20 0 CHADMP CCC(C)(C)C1CCC([N@H+]2C[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000708852773 1119981849 /nfs/dbraw/zinc/98/18/49/1119981849.db2.gz NASBOWRNHZWGDL-QRNKSROTSA-N 2 1 266.473 3.508 20 0 CHADMP CC1=C(C)C[NH+](CC[C@@H](C)[N@H+]2CCC(C)=C(C)C2)CC1 ZINC000483380211 1120664540 /nfs/dbraw/zinc/66/45/40/1120664540.db2.gz PIOGPBQCCMSOFD-GOSISDBHSA-N 2 1 276.468 3.849 20 0 CHADMP C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CCCCCCC[NH3+] ZINC000842471567 1121624548 /nfs/dbraw/zinc/62/45/48/1121624548.db2.gz JKQGKLOGISACTG-ZDUSSCGKSA-N 2 1 284.394 3.867 20 0 CHADMP C/C=C/C[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000626161718 1125376858 /nfs/dbraw/zinc/37/68/58/1125376858.db2.gz IERIWJFJBUFZAV-YRLOJYSSSA-N 2 1 264.457 3.539 20 0 CHADMP C/C=C/C[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000626161718 1125376861 /nfs/dbraw/zinc/37/68/61/1125376861.db2.gz IERIWJFJBUFZAV-YRLOJYSSSA-N 2 1 264.457 3.539 20 0 CHADMP C/C=C/C[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000626161718 1125376863 /nfs/dbraw/zinc/37/68/63/1125376863.db2.gz IERIWJFJBUFZAV-YRLOJYSSSA-N 2 1 264.457 3.539 20 0 CHADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000230770217 1125395539 /nfs/dbraw/zinc/39/55/39/1125395539.db2.gz PDTVREQOONSWSO-OKZBNKHCSA-N 2 1 280.500 3.911 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)C2CCC(C)CC2)CC1 ZINC001168224145 1125420155 /nfs/dbraw/zinc/42/01/55/1125420155.db2.gz LTIBHDBXCUWNQN-UHFFFAOYSA-N 2 1 266.473 3.761 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccc(Cl)s1 ZINC000125428242 1125448874 /nfs/dbraw/zinc/44/88/74/1125448874.db2.gz PGPHIISOYBYMJN-UHFFFAOYSA-N 2 1 297.855 3.819 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccc(Cl)s1 ZINC000125428242 1125448876 /nfs/dbraw/zinc/44/88/76/1125448876.db2.gz PGPHIISOYBYMJN-UHFFFAOYSA-N 2 1 297.855 3.819 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001246594369 1131709321 /nfs/dbraw/zinc/70/93/21/1131709321.db2.gz VMYXGTXNUGELRM-VGWMRTNUSA-N 2 1 254.462 3.651 20 0 CHADMP CC(C)=CCC[C@H](C)[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001246642850 1131765650 /nfs/dbraw/zinc/76/56/50/1131765650.db2.gz CYVNDIHPRVTRHL-WMZOPIPTSA-N 2 1 278.484 3.975 20 0 CHADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@H]1c1ccccc1SC ZINC001246884593 1131803427 /nfs/dbraw/zinc/80/34/27/1131803427.db2.gz BZNQXGJMLLWRAJ-ZFWWWQNUSA-N 2 1 278.465 3.543 20 0 CHADMP CC[N@@H+](C1CCCCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113751 1132133033 /nfs/dbraw/zinc/13/30/33/1132133033.db2.gz LHCNUTUCWVTIEF-BJWYYQGGSA-N 2 1 264.457 3.656 20 0 CHADMP CC[NH+](C1CCCCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113751 1132133035 /nfs/dbraw/zinc/13/30/35/1132133035.db2.gz LHCNUTUCWVTIEF-BJWYYQGGSA-N 2 1 264.457 3.656 20 0 CHADMP CC[NH+](C1CCCCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113751 1132133037 /nfs/dbraw/zinc/13/30/37/1132133037.db2.gz LHCNUTUCWVTIEF-BJWYYQGGSA-N 2 1 264.457 3.656 20 0 CHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C ZINC001206715468 1133265922 /nfs/dbraw/zinc/26/59/22/1133265922.db2.gz RPHIWQYKYWPTJG-HUUCEWRRSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)(C)C ZINC001206715468 1133265927 /nfs/dbraw/zinc/26/59/27/1133265927.db2.gz RPHIWQYKYWPTJG-HUUCEWRRSA-N 2 1 266.473 3.665 20 0 CHADMP CSc1ccc(Cl)cc1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206805715 1133750626 /nfs/dbraw/zinc/75/06/26/1133750626.db2.gz CWCJDZQVIJTEPX-NEPJUHHUSA-N 2 1 298.883 3.621 20 0 CHADMP CSc1ccc(Cl)cc1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206805715 1133750631 /nfs/dbraw/zinc/75/06/31/1133750631.db2.gz CWCJDZQVIJTEPX-NEPJUHHUSA-N 2 1 298.883 3.621 20 0 CHADMP CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)[NH+]1CCCC1 ZINC000251851275 1125517479 /nfs/dbraw/zinc/51/74/79/1125517479.db2.gz PABQBLHFOGGENX-VQHPVUNQSA-N 2 1 266.473 3.521 20 0 CHADMP Cc1ccc(C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)cc1 ZINC000119739846 1125537688 /nfs/dbraw/zinc/53/76/88/1125537688.db2.gz KFGVQFZWMKWZMF-HXUWFJFHSA-N 2 1 298.474 3.533 20 0 CHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccsc2)C1 ZINC000245553252 1125580339 /nfs/dbraw/zinc/58/03/39/1125580339.db2.gz FJRDADFIDBPVKY-HOTGVXAUSA-N 2 1 292.492 3.835 20 0 CHADMP CO[C@H]1CCC[C@@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)CC1 ZINC000885914223 1125625915 /nfs/dbraw/zinc/62/59/15/1125625915.db2.gz PAKNJNOFXYUTPG-AEFFLSMTSA-N 2 1 296.499 3.578 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)C1 ZINC000248634470 1125673444 /nfs/dbraw/zinc/67/34/44/1125673444.db2.gz JLWZNUVIVOXXOD-NJAFHUGGSA-N 2 1 286.463 3.500 20 0 CHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000262047627 1125750517 /nfs/dbraw/zinc/75/05/17/1125750517.db2.gz ZDMSFHSGDQSPDX-UMVBOHGHSA-N 2 1 280.843 3.503 20 0 CHADMP CC[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@H](C)c1cc2ccccc2o1 ZINC000262061936 1125751133 /nfs/dbraw/zinc/75/11/33/1125751133.db2.gz RHCUBHTUGRLLSS-RDTXWAMCSA-N 2 1 286.419 3.815 20 0 CHADMP CCC1(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000508721185 1125782679 /nfs/dbraw/zinc/78/26/79/1125782679.db2.gz UEIDWXRHZUAQLI-FUHWJXTLSA-N 2 1 286.463 3.677 20 0 CHADMP CC(C)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638287653 1129252309 /nfs/dbraw/zinc/25/23/09/1129252309.db2.gz VRKHAKXOQPNPGJ-SJLPKXTDSA-N 2 1 272.436 3.600 20 0 CHADMP CC(C)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638287653 1129252312 /nfs/dbraw/zinc/25/23/12/1129252312.db2.gz VRKHAKXOQPNPGJ-SJLPKXTDSA-N 2 1 272.436 3.600 20 0 CHADMP C1CC(=C2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)C1 ZINC000638378388 1129256037 /nfs/dbraw/zinc/25/60/37/1129256037.db2.gz WLKBDXATNPJJFU-ROUUACIJSA-N 2 1 274.452 3.626 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000643503046 1129443066 /nfs/dbraw/zinc/44/30/66/1129443066.db2.gz ZLBGTBFFZRWFRX-ZDEQEGDKSA-N 2 1 298.883 3.625 20 0 CHADMP CC[C@H](C)C1CCC([NH2+]C2CC[NH+](CC)CC2)CC1 ZINC001169237867 1129712642 /nfs/dbraw/zinc/71/26/42/1129712642.db2.gz AWZXLAKLBGOOBI-FHERZECASA-N 2 1 266.473 3.665 20 0 CHADMP CCSc1ccccc1[C@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000159286713 1129199188 /nfs/dbraw/zinc/19/91/88/1129199188.db2.gz FGLDCXJVADJEDQ-AWEZNQCLSA-N 2 1 292.492 3.934 20 0 CHADMP CC(C)CCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001170063400 1130113681 /nfs/dbraw/zinc/11/36/81/1130113681.db2.gz CEUNMYUCVGUSDY-VQHPVUNQSA-N 2 1 266.473 3.806 20 0 CHADMP CC(C)CCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001170063400 1130113685 /nfs/dbraw/zinc/11/36/85/1130113685.db2.gz CEUNMYUCVGUSDY-VQHPVUNQSA-N 2 1 266.473 3.806 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@H]1CCC(C)C ZINC000338011852 1126709585 /nfs/dbraw/zinc/70/95/85/1126709585.db2.gz JEWBSNYDSZBHLH-DLBZAZTESA-N 2 1 277.456 3.776 20 0 CHADMP CCCc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000338021580 1126711989 /nfs/dbraw/zinc/71/19/89/1126711989.db2.gz WGIAFAUKMNVMPD-OAHLLOKOSA-N 2 1 285.435 3.885 20 0 CHADMP CCCC[C@@H]1CCC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000338032469 1126713090 /nfs/dbraw/zinc/71/30/90/1126713090.db2.gz VZKTYGIUFVNHDK-HZPDHXFCSA-N 2 1 263.429 3.530 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCCc2ccccc21 ZINC000338028989 1126713579 /nfs/dbraw/zinc/71/35/79/1126713579.db2.gz NHXSOZPMHJJORO-SFHVURJKSA-N 2 1 283.419 3.639 20 0 CHADMP Cc1csc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1Cl ZINC001137292906 1130307950 /nfs/dbraw/zinc/30/79/50/1130307950.db2.gz VJLHSOROEHPTQW-UHFFFAOYSA-N 2 1 298.883 3.628 20 0 CHADMP CCCc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000482006577 1126738787 /nfs/dbraw/zinc/73/87/87/1126738787.db2.gz MFTLANPKNGFUEB-RTBURBONSA-N 2 1 286.463 3.555 20 0 CHADMP CCCc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000482006577 1126738789 /nfs/dbraw/zinc/73/87/89/1126738789.db2.gz MFTLANPKNGFUEB-RTBURBONSA-N 2 1 286.463 3.555 20 0 CHADMP CCCc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000482006577 1126738793 /nfs/dbraw/zinc/73/87/93/1126738793.db2.gz MFTLANPKNGFUEB-RTBURBONSA-N 2 1 286.463 3.555 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)s2)[C@H](C)C1 ZINC000174769810 1126772843 /nfs/dbraw/zinc/77/28/43/1126772843.db2.gz GGCYYGRZRZAVAY-YPMHNXCESA-N 2 1 286.872 3.564 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)s2)[C@H](C)C1 ZINC000174769810 1126772847 /nfs/dbraw/zinc/77/28/47/1126772847.db2.gz GGCYYGRZRZAVAY-YPMHNXCESA-N 2 1 286.872 3.564 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Cl)s2)[C@H](C)C1 ZINC000174769810 1126772850 /nfs/dbraw/zinc/77/28/50/1126772850.db2.gz GGCYYGRZRZAVAY-YPMHNXCESA-N 2 1 286.872 3.564 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)s2)[C@H](C)C1 ZINC000174769810 1126772854 /nfs/dbraw/zinc/77/28/54/1126772854.db2.gz GGCYYGRZRZAVAY-YPMHNXCESA-N 2 1 286.872 3.564 20 0 CHADMP CC(C)[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000483733655 1126799386 /nfs/dbraw/zinc/79/93/86/1126799386.db2.gz VSZIMDLUWJKJQC-UHOSZYNNSA-N 2 1 288.479 3.716 20 0 CHADMP CC(C)[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000483733655 1126799388 /nfs/dbraw/zinc/79/93/88/1126799388.db2.gz VSZIMDLUWJKJQC-UHOSZYNNSA-N 2 1 288.479 3.716 20 0 CHADMP CCSc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000483750612 1126799801 /nfs/dbraw/zinc/79/98/01/1126799801.db2.gz VVYQBVFFNZMPBA-ILXRZTDVSA-N 2 1 292.492 3.932 20 0 CHADMP CCSc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000483750612 1126799804 /nfs/dbraw/zinc/79/98/04/1126799804.db2.gz VVYQBVFFNZMPBA-ILXRZTDVSA-N 2 1 292.492 3.932 20 0 CHADMP CCSc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000483750615 1126800362 /nfs/dbraw/zinc/80/03/62/1126800362.db2.gz VVYQBVFFNZMPBA-QLFBSQMISA-N 2 1 292.492 3.932 20 0 CHADMP CCSc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000483750615 1126800364 /nfs/dbraw/zinc/80/03/64/1126800364.db2.gz VVYQBVFFNZMPBA-QLFBSQMISA-N 2 1 292.492 3.932 20 0 CHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccco1 ZINC000484286345 1126814022 /nfs/dbraw/zinc/81/40/22/1126814022.db2.gz ACUODKIJCOTUOX-JYJNAYRXSA-N 2 1 278.440 3.831 20 0 CHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc3ccccc3n2)C1 ZINC000178511731 1126815197 /nfs/dbraw/zinc/81/51/97/1126815197.db2.gz UGXWCCQDOBWNML-JKSUJKDBSA-N 2 1 297.446 3.617 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc3ccccc3n2)C1 ZINC000178511731 1126815199 /nfs/dbraw/zinc/81/51/99/1126815199.db2.gz UGXWCCQDOBWNML-JKSUJKDBSA-N 2 1 297.446 3.617 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1Cl ZINC000484478001 1126821451 /nfs/dbraw/zinc/82/14/51/1126821451.db2.gz REAMZKHEXDAMEF-MJBXVCDLSA-N 2 1 280.843 3.863 20 0 CHADMP CC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccc(F)cc1 ZINC000178705582 1126819347 /nfs/dbraw/zinc/81/93/47/1126819347.db2.gz YIQKYNZTBYGHOD-DYVFJYSZSA-N 2 1 289.398 3.708 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(Cl)cc1F ZINC000179503239 1126828890 /nfs/dbraw/zinc/82/88/90/1126828890.db2.gz SDDXDNFHKRTLKT-UHFFFAOYSA-N 2 1 295.789 3.506 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(Cl)cc1F ZINC000179503239 1126828896 /nfs/dbraw/zinc/82/88/96/1126828896.db2.gz SDDXDNFHKRTLKT-UHFFFAOYSA-N 2 1 295.789 3.506 20 0 CHADMP CC1(C)[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C[C@H]1c1ccccc1 ZINC000181011448 1126851395 /nfs/dbraw/zinc/85/13/95/1126851395.db2.gz LZIGUWNLKFJURN-ZYSHUDEJSA-N 2 1 298.474 3.643 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000187758222 1126913503 /nfs/dbraw/zinc/91/35/03/1126913503.db2.gz UZEIDMTYZZHKME-HQRMLTQVSA-N 2 1 298.474 3.571 20 0 CHADMP C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000187758243 1126914013 /nfs/dbraw/zinc/91/40/13/1126914013.db2.gz UZEIDMTYZZHKME-ILZDJORESA-N 2 1 298.474 3.571 20 0 CHADMP c1ccc(C[C@@H]2CC[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000189011699 1126926981 /nfs/dbraw/zinc/92/69/81/1126926981.db2.gz HRIDAEPNHWWXRG-HKUYNNGSSA-N 2 1 298.474 3.614 20 0 CHADMP CCCC[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000906529976 1126957121 /nfs/dbraw/zinc/95/71/21/1126957121.db2.gz UXTOAVJDIBPVOK-DZGCQCFKSA-N 2 1 266.454 3.521 20 0 CHADMP CCCC[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000906529976 1126957124 /nfs/dbraw/zinc/95/71/24/1126957124.db2.gz UXTOAVJDIBPVOK-DZGCQCFKSA-N 2 1 266.454 3.521 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)c1cccs1 ZINC001319754036 1126983860 /nfs/dbraw/zinc/98/38/60/1126983860.db2.gz IXLLSTPDILHRDS-ZIAGYGMSSA-N 2 1 266.454 3.521 20 0 CHADMP CSc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000266872712 1126989344 /nfs/dbraw/zinc/98/93/44/1126989344.db2.gz NJQPWCXRHKZLGQ-CYBMUJFWSA-N 2 1 289.448 3.654 20 0 CHADMP CC[N@H+](C1CCCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001168371525 1126995983 /nfs/dbraw/zinc/99/59/83/1126995983.db2.gz NSHXYFAWIYBFOX-UHFFFAOYSA-N 2 1 264.457 3.515 20 0 CHADMP CC[N@@H+](C1CCCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001168371525 1126995984 /nfs/dbraw/zinc/99/59/84/1126995984.db2.gz NSHXYFAWIYBFOX-UHFFFAOYSA-N 2 1 264.457 3.515 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)[C@H]1CC1(C)C ZINC000486952385 1127011810 /nfs/dbraw/zinc/01/18/10/1127011810.db2.gz XYQCAGDTNOWUDL-HRCADAONSA-N 2 1 266.473 3.665 20 0 CHADMP c1ccc([C@H]2CCC[C@@H]2[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000268764648 1127023041 /nfs/dbraw/zinc/02/30/41/1127023041.db2.gz PLIGYUGRNAHEAT-MOPGFXCFSA-N 2 1 284.447 3.539 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000268918781 1127029151 /nfs/dbraw/zinc/02/91/51/1127029151.db2.gz PSWGGFQSVTUZBD-MNEFBYGVSA-N 2 1 297.446 3.754 20 0 CHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2cc3ccccc3o2)CC1 ZINC000268975232 1127030460 /nfs/dbraw/zinc/03/04/60/1127030460.db2.gz NHMCTIXKNPBZIM-UHFFFAOYSA-N 2 1 286.419 3.737 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc3ccccc3o2)CC1 ZINC000268975232 1127030463 /nfs/dbraw/zinc/03/04/63/1127030463.db2.gz NHMCTIXKNPBZIM-UHFFFAOYSA-N 2 1 286.419 3.737 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccc(F)cc1C ZINC000488112400 1127057282 /nfs/dbraw/zinc/05/72/82/1127057282.db2.gz SQKVMDYDAOVZLG-UHFFFAOYSA-N 2 1 289.398 3.551 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccc(F)cc1C ZINC000488112400 1127057286 /nfs/dbraw/zinc/05/72/86/1127057286.db2.gz SQKVMDYDAOVZLG-UHFFFAOYSA-N 2 1 289.398 3.551 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)s1 ZINC001237056163 1131044133 /nfs/dbraw/zinc/04/41/33/1131044133.db2.gz HCWBTOPJLBILGS-MRXNPFEDSA-N 2 1 280.481 3.652 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c(C)c1Cl ZINC001237080199 1131047183 /nfs/dbraw/zinc/04/71/83/1131047183.db2.gz DYXICJXSBGSHOP-INIZCTEOSA-N 2 1 280.843 3.518 20 0 CHADMP Cc1cncc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000274338621 1127113353 /nfs/dbraw/zinc/11/33/53/1127113353.db2.gz AHAMCAVECNEIMS-IRXDYDNUSA-N 2 1 289.467 3.695 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)c(C)c1Cl ZINC001237080199 1131047176 /nfs/dbraw/zinc/04/71/76/1131047176.db2.gz DYXICJXSBGSHOP-INIZCTEOSA-N 2 1 280.843 3.518 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1coc2ccccc12 ZINC000349424082 1127149887 /nfs/dbraw/zinc/14/98/87/1127149887.db2.gz YOMTTYIHBAUEGK-UHFFFAOYSA-N 2 1 274.408 3.597 20 0 CHADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CC[C@H]1CCCC[NH+]1C ZINC000472445064 1127158965 /nfs/dbraw/zinc/15/89/65/1127158965.db2.gz CYRILCAITBMOLK-BHIYHBOVSA-N 2 1 286.463 3.739 20 0 CHADMP C[C@@H]1[C@H](c2ccccc2)CC[NH+]1CC[C@H]1CCCC[N@@H+]1C ZINC000472445064 1127158968 /nfs/dbraw/zinc/15/89/68/1127158968.db2.gz CYRILCAITBMOLK-BHIYHBOVSA-N 2 1 286.463 3.739 20 0 CHADMP C[C@@H]1[C@H](c2ccccc2)CC[NH+]1CC[C@H]1CCCC[N@H+]1C ZINC000472445064 1127158969 /nfs/dbraw/zinc/15/89/69/1127158969.db2.gz CYRILCAITBMOLK-BHIYHBOVSA-N 2 1 286.463 3.739 20 0 CHADMP CC[N@H+](CCC[NH+](C)C)Cc1c(C)cc(Cl)cc1C ZINC001237354460 1131091240 /nfs/dbraw/zinc/09/12/40/1131091240.db2.gz YACLJYNBXVVPLI-UHFFFAOYSA-N 2 1 282.859 3.730 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1c(C)cc(Cl)cc1C ZINC001237354460 1131091247 /nfs/dbraw/zinc/09/12/47/1131091247.db2.gz YACLJYNBXVVPLI-UHFFFAOYSA-N 2 1 282.859 3.730 20 0 CHADMP C[NH+](CCCCCF)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000284092042 1127173263 /nfs/dbraw/zinc/17/32/63/1127173263.db2.gz LZJJDPVSSRZSBP-GOSISDBHSA-N 2 1 292.442 3.580 20 0 CHADMP C[NH+](CCCCCF)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000284092042 1127173267 /nfs/dbraw/zinc/17/32/67/1127173267.db2.gz LZJJDPVSSRZSBP-GOSISDBHSA-N 2 1 292.442 3.580 20 0 CHADMP CCCCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000284205743 1127178578 /nfs/dbraw/zinc/17/85/78/1127178578.db2.gz GQZZHPISBYNOFS-OAHLLOKOSA-N 2 1 290.451 3.610 20 0 CHADMP Cc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1Cl ZINC000572324380 1127197707 /nfs/dbraw/zinc/19/77/07/1127197707.db2.gz VRWANIDUZLJGKL-XYPWUTKMSA-N 2 1 292.854 3.705 20 0 CHADMP Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1Cl ZINC000572324380 1127197710 /nfs/dbraw/zinc/19/77/10/1127197710.db2.gz VRWANIDUZLJGKL-XYPWUTKMSA-N 2 1 292.854 3.705 20 0 CHADMP Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1Cl ZINC000572324380 1127197711 /nfs/dbraw/zinc/19/77/11/1127197711.db2.gz VRWANIDUZLJGKL-XYPWUTKMSA-N 2 1 292.854 3.705 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000572506970 1127201732 /nfs/dbraw/zinc/20/17/32/1127201732.db2.gz XCUITNPYZQOZHH-ILOCAZANSA-N 2 1 278.484 3.664 20 0 CHADMP CC[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000573016021 1127280327 /nfs/dbraw/zinc/28/03/27/1127280327.db2.gz FLRPVVODGYABGR-MRXNPFEDSA-N 2 1 291.826 3.747 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](CC(C)C)c1ccccc1 ZINC000354214836 1127298691 /nfs/dbraw/zinc/29/86/91/1127298691.db2.gz DZBJLAZADSJZOZ-SFHVURJKSA-N 2 1 285.435 3.611 20 0 CHADMP CCCc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000591711961 1127314918 /nfs/dbraw/zinc/31/49/18/1127314918.db2.gz DOEHQBNEQRGQLJ-LJQANCHMSA-N 2 1 288.479 3.849 20 0 CHADMP C[N@H+]1CCC[C@H]2C[NH+](CCC3CCCCCC3)CC[C@@H]21 ZINC000573486801 1127316748 /nfs/dbraw/zinc/31/67/48/1127316748.db2.gz RMDXMFWWXPQKLH-ROUUACIJSA-N 2 1 278.484 3.763 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)[C@@H](C)C1 ZINC000355479334 1127344188 /nfs/dbraw/zinc/34/41/88/1127344188.db2.gz ZWMORQOAPYWTCB-KKXDTOCCSA-N 2 1 290.426 3.523 20 0 CHADMP CC[C@@H](C[NH2+][C@H](C)CCCC(F)(F)F)[NH+]1CCCC1 ZINC000480241383 1127363956 /nfs/dbraw/zinc/36/39/56/1127363956.db2.gz MYTFZLOZVMYBPF-OLZOCXBDSA-N 2 1 280.378 3.572 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000356309846 1127381752 /nfs/dbraw/zinc/38/17/52/1127381752.db2.gz ULQGAZZOXWUIAO-YOEHRIQHSA-N 2 1 275.440 3.506 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000356309846 1127381755 /nfs/dbraw/zinc/38/17/55/1127381755.db2.gz ULQGAZZOXWUIAO-YOEHRIQHSA-N 2 1 275.440 3.506 20 0 CHADMP c1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cs1 ZINC000358308730 1127414926 /nfs/dbraw/zinc/41/49/26/1127414926.db2.gz YUCKVEMVAOJOKJ-UHFFFAOYSA-N 2 1 278.465 3.635 20 0 CHADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000168611308 1127457061 /nfs/dbraw/zinc/45/70/61/1127457061.db2.gz NWUFYYPBBMAAFM-KXBFYZLASA-N 2 1 280.415 3.523 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cncs1 ZINC000359926645 1127483618 /nfs/dbraw/zinc/48/36/18/1127483618.db2.gz RSJBVRRNILKCCL-QLFBSQMISA-N 2 1 295.496 3.552 20 0 CHADMP CC(C)(C[NH2+]Cc1coc2ccccc12)C[NH+]1CCCC1 ZINC000360154867 1127490616 /nfs/dbraw/zinc/49/06/16/1127490616.db2.gz VINMFOFBRLBUON-UHFFFAOYSA-N 2 1 286.419 3.644 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H](C)c3ccccc32)C1 ZINC000360235278 1127493182 /nfs/dbraw/zinc/49/31/82/1127493182.db2.gz TXDYPMKRGJCQSE-MDZRGWNJSA-N 2 1 286.463 3.947 20 0 CHADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000360861887 1127516768 /nfs/dbraw/zinc/51/67/68/1127516768.db2.gz UHKGLONERBXMLG-RYUDHWBXSA-N 2 1 283.485 3.566 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)(F)F)cc2)[C@@H](C)C1 ZINC000293777064 1127519379 /nfs/dbraw/zinc/51/93/79/1127519379.db2.gz SPGPOUQAQWBKAV-BBRMVZONSA-N 2 1 296.405 3.618 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC000360976876 1127525577 /nfs/dbraw/zinc/52/55/77/1127525577.db2.gz XQAXBAYFZUKKJG-UHFFFAOYSA-N 2 1 283.419 3.639 20 0 CHADMP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000361080009 1127536380 /nfs/dbraw/zinc/53/63/80/1127536380.db2.gz NVPNLNYOVZYPQL-CXAGYDPISA-N 2 1 299.462 3.665 20 0 CHADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+](CC1CC1)C1CCC1 ZINC000361581382 1127573517 /nfs/dbraw/zinc/57/35/17/1127573517.db2.gz GRPSMUSEGYHDGS-UHFFFAOYSA-N 2 1 295.430 3.945 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)CC[N@@H+]1C ZINC000294859520 1127604644 /nfs/dbraw/zinc/60/46/44/1127604644.db2.gz BWLPWQYEYQLUPC-KBUPBQIOSA-N 2 1 292.854 3.658 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)CC[N@H+]1C ZINC000294859520 1127604647 /nfs/dbraw/zinc/60/46/47/1127604647.db2.gz BWLPWQYEYQLUPC-KBUPBQIOSA-N 2 1 292.854 3.658 20 0 CHADMP CSCc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000598977878 1127648971 /nfs/dbraw/zinc/64/89/71/1127648971.db2.gz PGGMQDOCDXFHMC-MRXNPFEDSA-N 2 1 292.492 3.512 20 0 CHADMP CC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccsc1 ZINC000295950183 1127658323 /nfs/dbraw/zinc/65/83/23/1127658323.db2.gz LLKGUISWSJYLTA-MRXNPFEDSA-N 2 1 278.465 3.663 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CCC(C)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000296050007 1127662110 /nfs/dbraw/zinc/66/21/10/1127662110.db2.gz OMNZFZDKAYDCJF-GOEBONIOSA-N 2 1 296.405 3.674 20 0 CHADMP C[C@@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000603823327 1127673741 /nfs/dbraw/zinc/67/37/41/1127673741.db2.gz PPUKVRXULYXIOR-TXTZMMAHSA-N 2 1 280.500 3.578 20 0 CHADMP CCc1ccc(CC[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000604384217 1127703968 /nfs/dbraw/zinc/70/39/68/1127703968.db2.gz ZNULBTOYJJYJAT-UHFFFAOYSA-N 2 1 288.479 3.596 20 0 CHADMP CC[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccsc1 ZINC000297831543 1127709675 /nfs/dbraw/zinc/70/96/75/1127709675.db2.gz RXJYTZTWFAWJLE-MRXNPFEDSA-N 2 1 278.465 3.806 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCCCCC[NH3+] ZINC000062018878 1127731148 /nfs/dbraw/zinc/73/11/48/1127731148.db2.gz BKQUDXUHVCJDKL-ZDUSSCGKSA-N 2 1 268.832 3.852 20 0 CHADMP c1ccc2c(c1)CCC[C@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373524072 1127847663 /nfs/dbraw/zinc/84/76/63/1127847663.db2.gz QULYQZIZSCZFLU-FAFZWHIHSA-N 2 1 284.447 3.671 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000373517414 1127847942 /nfs/dbraw/zinc/84/79/42/1127847942.db2.gz ABLVCXCCOOSLNO-FAEJEUNOSA-N 2 1 272.436 3.663 20 0 CHADMP CC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000373523639 1127847957 /nfs/dbraw/zinc/84/79/57/1127847957.db2.gz PWTKDMYWFGTFAO-ABHNRTSZSA-N 2 1 290.426 3.883 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](C(C)(C)C)CC1 ZINC000535468073 1127916520 /nfs/dbraw/zinc/91/65/20/1127916520.db2.gz HZEBREHBTHCCDK-HOTGVXAUSA-N 2 1 266.473 3.619 20 0 CHADMP CCC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(C)(C)C ZINC000623538397 1127929201 /nfs/dbraw/zinc/92/92/01/1127929201.db2.gz BUHPIVMZQLWZLB-ZIAGYGMSSA-N 2 1 254.462 3.664 20 0 CHADMP CC[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000539822867 1127943003 /nfs/dbraw/zinc/94/30/03/1127943003.db2.gz VIRNJVKVGDSMFG-NUJGCVRESA-N 2 1 274.452 3.595 20 0 CHADMP CC[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000539822867 1127943005 /nfs/dbraw/zinc/94/30/05/1127943005.db2.gz VIRNJVKVGDSMFG-NUJGCVRESA-N 2 1 274.452 3.595 20 0 CHADMP CC[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000539822867 1127943009 /nfs/dbraw/zinc/94/30/09/1127943009.db2.gz VIRNJVKVGDSMFG-NUJGCVRESA-N 2 1 274.452 3.595 20 0 CHADMP CC[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000539822867 1127943011 /nfs/dbraw/zinc/94/30/11/1127943011.db2.gz VIRNJVKVGDSMFG-NUJGCVRESA-N 2 1 274.452 3.595 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2csc3ccccc23)[C@@H](C)C1 ZINC000540195234 1127968639 /nfs/dbraw/zinc/96/86/39/1127968639.db2.gz OXNLTJCMIXMZAY-XJKSGUPXSA-N 2 1 288.460 3.721 20 0 CHADMP Cc1ccc([C@H]([NH2+]C2CC[NH+](C(C)C)CC2)C2CCC2)o1 ZINC000544565174 1127977111 /nfs/dbraw/zinc/97/71/11/1127977111.db2.gz JXJWMJCPAXRWTG-GOSISDBHSA-N 2 1 290.451 3.892 20 0 CHADMP C[C@H](CCC1CCCCC1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000540608549 1127985717 /nfs/dbraw/zinc/98/57/17/1127985717.db2.gz SWXQIBOQRKTXCK-OAHLLOKOSA-N 2 1 264.457 3.587 20 0 CHADMP CCC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000540606381 1127985855 /nfs/dbraw/zinc/98/58/55/1127985855.db2.gz GZIWGMYFBBOGPA-CGTJXYLNSA-N 2 1 274.452 3.643 20 0 CHADMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000540588691 1127986075 /nfs/dbraw/zinc/98/60/75/1127986075.db2.gz AHZOVVNCHJWMLM-ROUUACIJSA-N 2 1 272.436 3.602 20 0 CHADMP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000300326940 1127998730 /nfs/dbraw/zinc/99/87/30/1127998730.db2.gz ITPKZSZPYZOKTL-XSLAGTTESA-N 2 1 278.484 3.808 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000300323171 1127998755 /nfs/dbraw/zinc/99/87/55/1127998755.db2.gz QJMDFFTXVFWRRK-CIQAELJKSA-N 2 1 278.484 3.806 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000300323171 1127998758 /nfs/dbraw/zinc/99/87/58/1127998758.db2.gz QJMDFFTXVFWRRK-CIQAELJKSA-N 2 1 278.484 3.806 20 0 CHADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000468355159 1128003693 /nfs/dbraw/zinc/00/36/93/1128003693.db2.gz CXGOPLQYQJMWBX-FYQPLNBISA-N 2 1 298.474 3.848 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CCCCCc2ccccc2)[C@H](C)C1 ZINC000469143161 1128036655 /nfs/dbraw/zinc/03/66/55/1128036655.db2.gz ZBYYACNPHGHUOC-MJGOQNOKSA-N 2 1 288.479 3.719 20 0 CHADMP CCC(CC)(CC)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000542018887 1128047928 /nfs/dbraw/zinc/04/79/28/1128047928.db2.gz GCGFHGMHGZTTIG-CVEARBPZSA-N 2 1 266.473 3.619 20 0 CHADMP CCC(CC)(CC)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000542018887 1128047931 /nfs/dbraw/zinc/04/79/31/1128047931.db2.gz GCGFHGMHGZTTIG-CVEARBPZSA-N 2 1 266.473 3.619 20 0 CHADMP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000469873904 1128056358 /nfs/dbraw/zinc/05/63/58/1128056358.db2.gz OJCKOMXSKLRRCO-BHIYHBOVSA-N 2 1 286.463 3.644 20 0 CHADMP CCC[N@@H+](C[C@H](CC)c1ccccc1)C1CC[NH2+]CC1 ZINC000470015936 1128061000 /nfs/dbraw/zinc/06/10/00/1128061000.db2.gz CHPAMZUSVPAQTM-INIZCTEOSA-N 2 1 274.452 3.644 20 0 CHADMP C[NH2+]C1CC[NH+](Cc2cccc(-c3ccccc3)c2)CC1 ZINC000470019133 1128061068 /nfs/dbraw/zinc/06/10/68/1128061068.db2.gz RTTIIPWQRBORBP-UHFFFAOYSA-N 2 1 280.415 3.537 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@H](C)c2cccc(Cl)c2)C1 ZINC000470198545 1128065950 /nfs/dbraw/zinc/06/59/50/1128065950.db2.gz SQHPSNJUUCTQJS-GJZGRUSLSA-N 2 1 294.870 3.765 20 0 CHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(Cl)c1 ZINC000470197864 1128065964 /nfs/dbraw/zinc/06/59/64/1128065964.db2.gz LSQQFVHXHVVXOM-XYPHTWIQSA-N 2 1 292.854 3.660 20 0 CHADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(Cl)c1 ZINC000470197864 1128065970 /nfs/dbraw/zinc/06/59/70/1128065970.db2.gz LSQQFVHXHVVXOM-XYPHTWIQSA-N 2 1 292.854 3.660 20 0 CHADMP CC[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(Cl)s1 ZINC000470251561 1128067315 /nfs/dbraw/zinc/06/73/15/1128067315.db2.gz BVGBNMDHGJPODQ-WDEREUQCSA-N 2 1 274.861 3.782 20 0 CHADMP CCC[C@@H](CC)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001257258578 1128100707 /nfs/dbraw/zinc/10/07/07/1128100707.db2.gz GFHLIECGUPEPHJ-HZPDHXFCSA-N 2 1 296.499 3.577 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1c(C)oc2ccccc21 ZINC000924874676 1128115339 /nfs/dbraw/zinc/11/53/39/1128115339.db2.gz UXWWSEBCSGZWDZ-LBPRGKRZSA-N 2 1 283.375 3.597 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCC[C@@H]1C(C)(C)C ZINC000925132262 1128122951 /nfs/dbraw/zinc/12/29/51/1128122951.db2.gz HZQPDCIJTBLUQO-HOTGVXAUSA-N 2 1 277.456 3.776 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCC[C@H]2C)C[C@@H]1C ZINC000542464677 1128129774 /nfs/dbraw/zinc/12/97/74/1128129774.db2.gz FLSNIBSYHLKCOR-QZWWFDLISA-N 2 1 266.473 3.617 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCC[C@H]2C)C[C@@H]1C ZINC000542464677 1128129777 /nfs/dbraw/zinc/12/97/77/1128129777.db2.gz FLSNIBSYHLKCOR-QZWWFDLISA-N 2 1 266.473 3.617 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCC[C@H]2C)C[C@@H]1C ZINC000542464677 1128129778 /nfs/dbraw/zinc/12/97/78/1128129778.db2.gz FLSNIBSYHLKCOR-QZWWFDLISA-N 2 1 266.473 3.617 20 0 CHADMP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1csc(-c2ccccc2)n1 ZINC000925737440 1128139389 /nfs/dbraw/zinc/13/93/89/1128139389.db2.gz IPNOEWDEIMHIOJ-GFCCVEGCSA-N 2 1 289.448 3.588 20 0 CHADMP FCc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000777588242 1128157466 /nfs/dbraw/zinc/15/74/66/1128157466.db2.gz FTUDAQKPLABEFO-SFHVURJKSA-N 2 1 290.426 3.606 20 0 CHADMP FCc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000777588242 1128157467 /nfs/dbraw/zinc/15/74/67/1128157467.db2.gz FTUDAQKPLABEFO-SFHVURJKSA-N 2 1 290.426 3.606 20 0 CHADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000926500705 1128176491 /nfs/dbraw/zinc/17/64/91/1128176491.db2.gz GDCLSTCXSYTSOA-YNBOMUFVSA-N 2 1 296.524 3.513 20 0 CHADMP CCCCCCOc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC000032052028 1128199053 /nfs/dbraw/zinc/19/90/53/1128199053.db2.gz RFNYPVGAEYDBTI-UHFFFAOYSA-N 2 1 290.451 3.569 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1coc2ccccc12 ZINC000926753217 1128191945 /nfs/dbraw/zinc/19/19/45/1128191945.db2.gz LUYRHVYDJOSSHX-LSDHHAIUSA-N 2 1 286.419 3.815 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205110086 1128194994 /nfs/dbraw/zinc/19/49/94/1128194994.db2.gz OHCVUGJTXZJREW-ZDUSSCGKSA-N 2 1 274.433 3.523 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)[C@@H]1C ZINC000495039674 1128224844 /nfs/dbraw/zinc/22/48/44/1128224844.db2.gz CXEXCFBILGSAGJ-ANQUJSFKSA-N 2 1 292.492 3.594 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)[C@@H]1C ZINC000495039674 1128224845 /nfs/dbraw/zinc/22/48/45/1128224845.db2.gz CXEXCFBILGSAGJ-ANQUJSFKSA-N 2 1 292.492 3.594 20 0 CHADMP CCCC[C@H](CC)[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001257425500 1128358621 /nfs/dbraw/zinc/35/86/21/1128358621.db2.gz SKPALWRSRVDDJY-INIZCTEOSA-N 2 1 296.499 3.530 20 0 CHADMP Cc1cc(C)c([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1C ZINC000037140795 1128418398 /nfs/dbraw/zinc/41/83/98/1128418398.db2.gz RXHNQQDRIMNAIQ-INIZCTEOSA-N 2 1 286.463 3.889 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CCC1 ZINC000398029777 1128392003 /nfs/dbraw/zinc/39/20/03/1128392003.db2.gz MWFUPUNZEXAWRI-GPMSIDNRSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CCC1 ZINC000398029777 1128392008 /nfs/dbraw/zinc/39/20/08/1128392008.db2.gz MWFUPUNZEXAWRI-GPMSIDNRSA-N 2 1 286.463 3.675 20 0 CHADMP CC1=C(C)C[NH+](CCCC[N@H+]2CCC(C)=C(C)C2)CC1 ZINC000562318174 1128394345 /nfs/dbraw/zinc/39/43/45/1128394345.db2.gz WJZZOZIFNKRTMT-UHFFFAOYSA-N 2 1 276.468 3.851 20 0 CHADMP C[N@H+](CC[NH2+][C@H]1CCCC12CCCC2)C1CCCC1 ZINC000328154666 1128402941 /nfs/dbraw/zinc/40/29/41/1128402941.db2.gz GGUCFBOTGPPKEZ-INIZCTEOSA-N 2 1 264.457 3.563 20 0 CHADMP C[N@@H+](CC[NH2+][C@H]1CCCC12CCCC2)C1CCCC1 ZINC000328154666 1128402943 /nfs/dbraw/zinc/40/29/43/1128402943.db2.gz GGUCFBOTGPPKEZ-INIZCTEOSA-N 2 1 264.457 3.563 20 0 CHADMP CC(C)CC(CC(C)C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649066 1128434998 /nfs/dbraw/zinc/43/49/98/1128434998.db2.gz GNBMBVBVOQALED-OAHLLOKOSA-N 2 1 266.473 3.521 20 0 CHADMP C[N@@H+](CCCNCc1ccccc1F)C1CCCCC1 ZINC000037860286 1128436388 /nfs/dbraw/zinc/43/63/88/1128436388.db2.gz YHLDIKBOOFOWIW-UHFFFAOYSA-N 2 1 278.415 3.570 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CC(C)(C)CC(C)(C)C2)C1 ZINC000124768283 1128445412 /nfs/dbraw/zinc/44/54/12/1128445412.db2.gz RTANVGUPVZLGFO-AWEZNQCLSA-N 2 1 266.473 3.523 20 0 CHADMP CC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120887 1128451130 /nfs/dbraw/zinc/45/11/30/1128451130.db2.gz LJDCOAYFLGMCOP-DOTOQJQBSA-N 2 1 272.436 3.572 20 0 CHADMP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120887 1128451132 /nfs/dbraw/zinc/45/11/32/1128451132.db2.gz LJDCOAYFLGMCOP-DOTOQJQBSA-N 2 1 272.436 3.572 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CC2(c3ccccc3)CCCC2)CC[N@H+]1C ZINC000125920262 1128456038 /nfs/dbraw/zinc/45/60/38/1128456038.db2.gz KGLVBMUKJJGZHE-SJLPKXTDSA-N 2 1 286.463 3.571 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CCCC2)CC[N@H+]1C ZINC000125920640 1128456503 /nfs/dbraw/zinc/45/65/03/1128456503.db2.gz KGLVBMUKJJGZHE-AEFFLSMTSA-N 2 1 286.463 3.571 20 0 CHADMP CCC[C@@H](C)CC[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001257470930 1128470179 /nfs/dbraw/zinc/47/01/79/1128470179.db2.gz MFGOBNGTRCYJPI-BZUAXINKSA-N 2 1 254.462 3.665 20 0 CHADMP CC(C)CC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000128071188 1128486677 /nfs/dbraw/zinc/48/66/77/1128486677.db2.gz SMZVNUGHTXUUIH-DLBZAZTESA-N 2 1 278.484 3.809 20 0 CHADMP CCC1CC([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000564067291 1128491997 /nfs/dbraw/zinc/49/19/97/1128491997.db2.gz SGKCUWWPIFLPEB-ZJZKXORJSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]CC2(C)CC2)C1 ZINC000564023772 1128490508 /nfs/dbraw/zinc/49/05/08/1128490508.db2.gz OPJMVHZTVRKQJU-MRXNPFEDSA-N 2 1 286.463 3.808 20 0 CHADMP C[C@H](F)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000564230310 1128499306 /nfs/dbraw/zinc/49/93/06/1128499306.db2.gz FPCILAVFDJCDQC-LEUOFYLZSA-N 2 1 290.426 3.520 20 0 CHADMP C[C@@H](F)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000564230311 1128499718 /nfs/dbraw/zinc/49/97/18/1128499718.db2.gz FPCILAVFDJCDQC-NRSFXHEJSA-N 2 1 290.426 3.520 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC23CCCC3)C[C@H]1c1ccccc1 ZINC000556177849 1128560130 /nfs/dbraw/zinc/56/01/30/1128560130.db2.gz OUIKQAGVLJUXLC-OKZBNKHCSA-N 2 1 284.447 3.744 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC23CCCC3)C[C@H]1c1ccccc1 ZINC000556177849 1128560132 /nfs/dbraw/zinc/56/01/32/1128560132.db2.gz OUIKQAGVLJUXLC-OKZBNKHCSA-N 2 1 284.447 3.744 20 0 CHADMP CC(C)(C)CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000129610090 1128545648 /nfs/dbraw/zinc/54/56/48/1128545648.db2.gz UDRCSUGSFXNEPK-UHFFFAOYSA-N 2 1 288.479 3.719 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000229620679 1128546367 /nfs/dbraw/zinc/54/63/67/1128546367.db2.gz OTFZZIJDNNQMLC-OAHLLOKOSA-N 2 1 285.435 3.522 20 0 CHADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1c(F)cccc1Cl ZINC001236105340 1128557057 /nfs/dbraw/zinc/55/70/57/1128557057.db2.gz YRMZJPJHMWFCLW-ZDUSSCGKSA-N 2 1 298.833 3.691 20 0 CHADMP CC(C)C1([NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000556234408 1128566312 /nfs/dbraw/zinc/56/63/12/1128566312.db2.gz XFTSLKLWWYRKDW-DLBZAZTESA-N 2 1 272.436 3.600 20 0 CHADMP CC(C)C1([NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000556234408 1128566314 /nfs/dbraw/zinc/56/63/14/1128566314.db2.gz XFTSLKLWWYRKDW-DLBZAZTESA-N 2 1 272.436 3.600 20 0 CHADMP CC(C)[N@H+](CCCc1c[nH+]cn1C)[C@H](C)c1ccccc1 ZINC000568177557 1128579250 /nfs/dbraw/zinc/57/92/50/1128579250.db2.gz YIYYQOAZOUWFBO-MRXNPFEDSA-N 2 1 285.435 3.824 20 0 CHADMP CC(C)[N@@H+](CCCc1c[nH+]cn1C)[C@H](C)c1ccccc1 ZINC000568177557 1128579254 /nfs/dbraw/zinc/57/92/54/1128579254.db2.gz YIYYQOAZOUWFBO-MRXNPFEDSA-N 2 1 285.435 3.824 20 0 CHADMP Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000130334170 1128579349 /nfs/dbraw/zinc/57/93/49/1128579349.db2.gz VZQUMNVNYPDGNL-RYQLBKOJSA-N 2 1 272.436 3.581 20 0 CHADMP Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000130334170 1128579352 /nfs/dbraw/zinc/57/93/52/1128579352.db2.gz VZQUMNVNYPDGNL-RYQLBKOJSA-N 2 1 272.436 3.581 20 0 CHADMP Cc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c(C)c1Cl ZINC001236213563 1128615613 /nfs/dbraw/zinc/61/56/13/1128615613.db2.gz CAKJELRXHQUAGO-GJZGRUSLSA-N 2 1 280.843 3.659 20 0 CHADMP Cc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c(C)c1Cl ZINC001236213563 1128615615 /nfs/dbraw/zinc/61/56/15/1128615615.db2.gz CAKJELRXHQUAGO-GJZGRUSLSA-N 2 1 280.843 3.659 20 0 CHADMP CCC(C)(C)[C@@H]1CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000131127682 1128606638 /nfs/dbraw/zinc/60/66/38/1128606638.db2.gz MEZLORNXEGIACY-INIZCTEOSA-N 2 1 277.456 3.872 20 0 CHADMP CCC(C)(C)[C@@H]1CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000131127682 1128606639 /nfs/dbraw/zinc/60/66/39/1128606639.db2.gz MEZLORNXEGIACY-INIZCTEOSA-N 2 1 277.456 3.872 20 0 CHADMP C[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000569927021 1128612129 /nfs/dbraw/zinc/61/21/29/1128612129.db2.gz LHQCWEIQBNFLHM-BPQIPLTHSA-N 2 1 284.447 3.572 20 0 CHADMP C[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000569927021 1128612132 /nfs/dbraw/zinc/61/21/32/1128612132.db2.gz LHQCWEIQBNFLHM-BPQIPLTHSA-N 2 1 284.447 3.572 20 0 CHADMP CCC[N@@H+](CC[C@@H](C)c1ccccc1)C1CC[NH2+]CC1 ZINC000570213076 1128618720 /nfs/dbraw/zinc/61/87/20/1128618720.db2.gz ZAMAFCDYTPDQPR-MRXNPFEDSA-N 2 1 274.452 3.644 20 0 CHADMP CC[C@@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000570384599 1128622988 /nfs/dbraw/zinc/62/29/88/1128622988.db2.gz UCBHBBGZSVZKGU-HKUYNNGSSA-N 2 1 286.463 3.598 20 0 CHADMP CC[C@@H](C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000570384599 1128622990 /nfs/dbraw/zinc/62/29/90/1128622990.db2.gz UCBHBBGZSVZKGU-HKUYNNGSSA-N 2 1 286.463 3.598 20 0 CHADMP CC[C@@H](C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000570384599 1128622993 /nfs/dbraw/zinc/62/29/93/1128622993.db2.gz UCBHBBGZSVZKGU-HKUYNNGSSA-N 2 1 286.463 3.598 20 0 CHADMP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718599 1128630101 /nfs/dbraw/zinc/63/01/01/1128630101.db2.gz AEQIYDFIRONYDC-HZPDHXFCSA-N 2 1 290.426 3.695 20 0 CHADMP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718599 1128630103 /nfs/dbraw/zinc/63/01/03/1128630103.db2.gz AEQIYDFIRONYDC-HZPDHXFCSA-N 2 1 290.426 3.695 20 0 CHADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000556872522 1128632789 /nfs/dbraw/zinc/63/27/89/1128632789.db2.gz YMVPIXLGAHMKKR-ZIAGYGMSSA-N 2 1 298.421 3.606 20 0 CHADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000556872521 1128633225 /nfs/dbraw/zinc/63/32/25/1128633225.db2.gz YMVPIXLGAHMKKR-UONOGXRCSA-N 2 1 298.421 3.606 20 0 CHADMP Cc1cc(C)c(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1C ZINC000556933525 1128648229 /nfs/dbraw/zinc/64/82/29/1128648229.db2.gz LHMZWHFSJPSJIO-LJQANCHMSA-N 2 1 286.463 3.530 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1C ZINC000556933525 1128648231 /nfs/dbraw/zinc/64/82/31/1128648231.db2.gz LHMZWHFSJPSJIO-LJQANCHMSA-N 2 1 286.463 3.530 20 0 CHADMP Cc1cc(C)c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1C ZINC000556933525 1128648232 /nfs/dbraw/zinc/64/82/32/1128648232.db2.gz LHMZWHFSJPSJIO-LJQANCHMSA-N 2 1 286.463 3.530 20 0 CHADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000577836727 1128691946 /nfs/dbraw/zinc/69/19/46/1128691946.db2.gz MBXXABNCUSLTOM-KGLIPLIRSA-N 2 1 282.859 3.762 20 0 CHADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000577836727 1128691949 /nfs/dbraw/zinc/69/19/49/1128691949.db2.gz MBXXABNCUSLTOM-KGLIPLIRSA-N 2 1 282.859 3.762 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](C)C[C@@H](C)CC(C)C)CC1 ZINC001258050574 1128692734 /nfs/dbraw/zinc/69/27/34/1128692734.db2.gz DTALDWVIPGIGTI-LSDHHAIUSA-N 2 1 254.462 3.521 20 0 CHADMP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000578513865 1128720163 /nfs/dbraw/zinc/72/01/63/1128720163.db2.gz POSDZQTZSVWRDY-JQHSSLGASA-N 2 1 278.484 3.689 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000578650185 1128725425 /nfs/dbraw/zinc/72/54/25/1128725425.db2.gz GSZOFDCRRDRDQM-IRXDYDNUSA-N 2 1 278.484 3.811 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](CCC(C)C)C(C)(C)C)C1 ZINC000578694299 1128726879 /nfs/dbraw/zinc/72/68/79/1128726879.db2.gz PPWBGRXSNNZARX-HOTGVXAUSA-N 2 1 268.489 3.769 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 ZINC000034996407 1117790272 /nfs/dbraw/zinc/79/02/72/1117790272.db2.gz BHIQOMAFMHLGKE-DJIMGWMZSA-N 2 1 266.473 3.521 20 0 CHADMP CC[NH+](CC)CCC[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000683141350 1117794592 /nfs/dbraw/zinc/79/45/92/1117794592.db2.gz FRKATSQXQQZKOU-UHFFFAOYSA-N 2 1 278.415 3.526 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001258072982 1128735853 /nfs/dbraw/zinc/73/58/53/1128735853.db2.gz ADXPHAZQCFOUQR-GJZGRUSLSA-N 2 1 277.456 3.983 20 0 CHADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001206767586 1117818763 /nfs/dbraw/zinc/81/87/63/1117818763.db2.gz CCTPNOYAXJPDSU-GOEBONIOSA-N 2 1 274.452 3.543 20 0 CHADMP C[N@H+]1CCC[C@H]2C[NH+](CCCC3CCCCC3)CC[C@@H]21 ZINC000579057152 1128736810 /nfs/dbraw/zinc/73/68/10/1128736810.db2.gz RDGZHWITBGMNMO-ROUUACIJSA-N 2 1 278.484 3.763 20 0 CHADMP CC(C)[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623343153 1117836194 /nfs/dbraw/zinc/83/61/94/1117836194.db2.gz CGYUYQKRFFTBMS-IAGOWNOFSA-N 2 1 274.452 3.846 20 0 CHADMP Cc1ccc([C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C2CC2)cc1 ZINC000623352083 1117840216 /nfs/dbraw/zinc/84/02/16/1117840216.db2.gz ONQLTJKRLCQZEU-ZWKOTPCHSA-N 2 1 286.463 3.909 20 0 CHADMP CC(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623374590 1117846093 /nfs/dbraw/zinc/84/60/93/1117846093.db2.gz GBMLZDZTJQFHEV-QGZVFWFLSA-N 2 1 274.452 3.772 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)CC1(C)C ZINC000623381316 1117846585 /nfs/dbraw/zinc/84/65/85/1117846585.db2.gz NPKDVAICIQJABW-ZBFHGGJFSA-N 2 1 292.854 3.790 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1(C)C ZINC000623381314 1117847747 /nfs/dbraw/zinc/84/77/47/1117847747.db2.gz NPKDVAICIQJABW-GOEBONIOSA-N 2 1 292.854 3.790 20 0 CHADMP CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623398681 1117849406 /nfs/dbraw/zinc/84/94/06/1117849406.db2.gz MNZXIYSSRXXADE-ROUUACIJSA-N 2 1 288.479 3.860 20 0 CHADMP Cc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623400557 1117851994 /nfs/dbraw/zinc/85/19/94/1117851994.db2.gz XXZVBPORITXPIY-KRWDZBQOSA-N 2 1 288.479 3.735 20 0 CHADMP Cc1cc(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)ccc1Cl ZINC000623529097 1117868219 /nfs/dbraw/zinc/86/82/19/1117868219.db2.gz VEYCBEDYLKEBJD-HNNXBMFYSA-N 2 1 294.870 3.653 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3ccsc32)CC1(C)C ZINC000623558752 1117871394 /nfs/dbraw/zinc/87/13/94/1117871394.db2.gz HSGNZDADABKKDP-HNNXBMFYSA-N 2 1 288.460 3.864 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000178025552 1117883299 /nfs/dbraw/zinc/88/32/99/1117883299.db2.gz IZILCNJLZCSCCV-QINHECLXSA-N 2 1 296.458 3.701 20 0 CHADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc3ccccc3c2)C1 ZINC000623655308 1117883441 /nfs/dbraw/zinc/88/34/41/1117883441.db2.gz UNVQKPOPYJKRLL-KRWDZBQOSA-N 2 1 282.431 3.661 20 0 CHADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc3ccccc32)C1 ZINC000623654662 1117884247 /nfs/dbraw/zinc/88/42/47/1117884247.db2.gz FPULGHPWLSUZLP-INIZCTEOSA-N 2 1 282.431 3.661 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cccc2ccccc21 ZINC000177984230 1117884537 /nfs/dbraw/zinc/88/45/37/1117884537.db2.gz HGMOUMIVDNASEP-JXXFODFXSA-N 2 1 296.458 3.701 20 0 CHADMP CC(C)Oc1cccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)c1 ZINC000179683878 1117909643 /nfs/dbraw/zinc/90/96/43/1117909643.db2.gz FZAVAMCPBADCGE-WBVHZDCISA-N 2 1 290.451 3.609 20 0 CHADMP CC(C)=CCC[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001258076503 1128743595 /nfs/dbraw/zinc/74/35/95/1128743595.db2.gz MLDBTTLUUMIESH-PMPSAXMXSA-N 2 1 252.446 3.584 20 0 CHADMP CC[N@H+](C)C[C@@H]1CC[NH+](C/C=C/c2ccc(Cl)cc2)C1 ZINC000180042574 1117921166 /nfs/dbraw/zinc/92/11/66/1117921166.db2.gz APIPKGJTLPRKKZ-APHBUQMISA-N 2 1 292.854 3.627 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C/c2ccc(Cl)cc2)C1 ZINC000180042574 1117921168 /nfs/dbraw/zinc/92/11/68/1117921168.db2.gz APIPKGJTLPRKKZ-APHBUQMISA-N 2 1 292.854 3.627 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@H+](C/C=C/c2ccc(Cl)cc2)C1 ZINC000180042574 1117921170 /nfs/dbraw/zinc/92/11/70/1117921170.db2.gz APIPKGJTLPRKKZ-APHBUQMISA-N 2 1 292.854 3.627 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C/c2ccc(Cl)cc2)C1 ZINC000180042574 1117921171 /nfs/dbraw/zinc/92/11/71/1117921171.db2.gz APIPKGJTLPRKKZ-APHBUQMISA-N 2 1 292.854 3.627 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCC[C@H](c3ccccc3)C2)CC1 ZINC000538407016 1117936663 /nfs/dbraw/zinc/93/66/63/1117936663.db2.gz DJKQEAZXMSFJIG-VQTJNVASSA-N 2 1 298.474 3.954 20 0 CHADMP CCC[NH+](CCC)c1ccc(NC2=CC[N@H+](C)CC2)cc1 ZINC001208844132 1117939483 /nfs/dbraw/zinc/93/94/83/1117939483.db2.gz MDSHQKNSEVMWMR-UHFFFAOYSA-N 2 1 287.451 3.944 20 0 CHADMP CCC[NH+](CCC)c1ccc(NC2=CC[N@@H+](C)CC2)cc1 ZINC001208844132 1117939485 /nfs/dbraw/zinc/93/94/85/1117939485.db2.gz MDSHQKNSEVMWMR-UHFFFAOYSA-N 2 1 287.451 3.944 20 0 CHADMP Cc1csc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)n1 ZINC000623864236 1117946433 /nfs/dbraw/zinc/94/64/33/1117946433.db2.gz JQYIOOAFDUFJAK-HIFRSBDPSA-N 2 1 295.496 3.614 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cc(C)ccc1C ZINC000623867010 1117947897 /nfs/dbraw/zinc/94/78/97/1117947897.db2.gz NGDSZVUDBBOWDQ-FUHWJXTLSA-N 2 1 274.452 3.686 20 0 CHADMP CC[C@@H](CCc1ccccc1)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000623886485 1117952157 /nfs/dbraw/zinc/95/21/57/1117952157.db2.gz BITBFBIKFGEVJD-LPHOPBHVSA-N 2 1 299.462 3.829 20 0 CHADMP Cc1cc([C@H](C)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c(C)s1 ZINC000036996306 1117954798 /nfs/dbraw/zinc/95/47/98/1117954798.db2.gz AMUZHDNYEXBXGX-APHBMKBZSA-N 2 1 278.465 3.642 20 0 CHADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c(C)s1 ZINC000036996306 1117954804 /nfs/dbraw/zinc/95/48/04/1117954804.db2.gz AMUZHDNYEXBXGX-APHBMKBZSA-N 2 1 278.465 3.642 20 0 CHADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c(C)s1 ZINC000036996306 1117954808 /nfs/dbraw/zinc/95/48/08/1117954808.db2.gz AMUZHDNYEXBXGX-APHBMKBZSA-N 2 1 278.465 3.642 20 0 CHADMP CCC[C@H]([NH2+]CCc1c[nH+]cn1C)c1cc(C)sc1C ZINC000623964045 1117963522 /nfs/dbraw/zinc/96/35/22/1117963522.db2.gz XXKKTCNXQFRLLH-INIZCTEOSA-N 2 1 291.464 3.772 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(C)s1 ZINC000624119891 1117983756 /nfs/dbraw/zinc/98/37/56/1117983756.db2.gz LTVISMFLZXQBLL-ZFWWWQNUSA-N 2 1 280.481 3.747 20 0 CHADMP CSc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624120246 1117985332 /nfs/dbraw/zinc/98/53/32/1117985332.db2.gz UTSKGVBSRLKDJN-CABCVRRESA-N 2 1 292.492 3.791 20 0 CHADMP C[C@@H]1[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C[C@@H]1c1ccccc1 ZINC000624122313 1117985695 /nfs/dbraw/zinc/98/56/95/1117985695.db2.gz OCFFNVKPZWAHKS-PBWTXFEYSA-N 2 1 286.463 3.500 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccccc1F ZINC000624121729 1117985889 /nfs/dbraw/zinc/98/58/89/1117985889.db2.gz BZTWVTZMBKXEFU-RHSMWYFYSA-N 2 1 278.415 3.598 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccc1F ZINC000624121729 1117985894 /nfs/dbraw/zinc/98/58/94/1117985894.db2.gz BZTWVTZMBKXEFU-RHSMWYFYSA-N 2 1 278.415 3.598 20 0 CHADMP Cc1cccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1C ZINC000624120922 1117986032 /nfs/dbraw/zinc/98/60/32/1117986032.db2.gz KIGGADGZBYGEKK-DLBZAZTESA-N 2 1 274.452 3.686 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C1CCC(F)(F)CC1 ZINC000624123192 1117986681 /nfs/dbraw/zinc/98/66/81/1117986681.db2.gz HRHIOWWRYNSXON-KGLIPLIRSA-N 2 1 288.426 3.522 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1csc(Cl)c1 ZINC000624123574 1117987188 /nfs/dbraw/zinc/98/71/88/1117987188.db2.gz OKDFTJBTXZGLSX-VXGBXAGGSA-N 2 1 286.872 3.784 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1csc(Cl)c1 ZINC000624123574 1117987192 /nfs/dbraw/zinc/98/71/92/1117987192.db2.gz OKDFTJBTXZGLSX-VXGBXAGGSA-N 2 1 286.872 3.784 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(C2CC2)c1 ZINC000624124162 1117987225 /nfs/dbraw/zinc/98/72/25/1117987225.db2.gz YRKQCLSSAZHREB-HZPDHXFCSA-N 2 1 286.463 3.947 20 0 CHADMP Cc1c(C)c(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)ccc1Cl ZINC001206809396 1117996313 /nfs/dbraw/zinc/99/63/13/1117996313.db2.gz LPHOAUASKLQHQJ-RISCZKNCSA-N 2 1 280.843 3.516 20 0 CHADMP c1cn(CCC[N@H+]2CCC[C@@H]2CCCc2ccccc2)cn1 ZINC000182865907 1118031217 /nfs/dbraw/zinc/03/12/17/1118031217.db2.gz WTRXXOOQGUUPOI-IBGZPJMESA-N 2 1 297.446 3.761 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC(C)(C)c3ccccc32)C1 ZINC000037643689 1118033818 /nfs/dbraw/zinc/03/38/18/1118033818.db2.gz PYXDVDZFWHUHCQ-CRAIPNDOSA-N 2 1 286.463 3.731 20 0 CHADMP C(C[N@H+]1CC[C@H](C2CCCCC2)C1)C[NH+]1CCCCC1 ZINC001209451395 1118063339 /nfs/dbraw/zinc/06/33/39/1118063339.db2.gz XLQTWOHMYVDVMM-SFHVURJKSA-N 2 1 278.484 3.765 20 0 CHADMP CC(C)C1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000193032040 1118065259 /nfs/dbraw/zinc/06/52/59/1118065259.db2.gz RBVYAIOPCGMPGK-CSRJKQTDSA-N 2 1 278.484 3.664 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)CSC(C)(C)C)C1 ZINC000247130036 1118097232 /nfs/dbraw/zinc/09/72/32/1118097232.db2.gz VKPFGLUHCRMCTH-HUUCEWRRSA-N 2 1 286.529 3.617 20 0 CHADMP CCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398214068 1118100372 /nfs/dbraw/zinc/10/03/72/1118100372.db2.gz UHOGVFFGNNCWHR-WMZOPIPTSA-N 2 1 274.452 3.677 20 0 CHADMP CCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398214068 1118100374 /nfs/dbraw/zinc/10/03/74/1118100374.db2.gz UHOGVFFGNNCWHR-WMZOPIPTSA-N 2 1 274.452 3.677 20 0 CHADMP CC(C)C[N@@H+](CCC[NH+]1CCCCC1)C1CCCC1 ZINC001167216930 1118102278 /nfs/dbraw/zinc/10/22/78/1118102278.db2.gz AZFUJXYQYWPKKG-UHFFFAOYSA-N 2 1 266.473 3.763 20 0 CHADMP C[C@@H](CSC(C)(C)C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000764635091 1118103872 /nfs/dbraw/zinc/10/38/72/1118103872.db2.gz ISWJGYKHSRJVET-GJZGRUSLSA-N 2 1 286.529 3.761 20 0 CHADMP CC/C=C\CC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001167256530 1118123408 /nfs/dbraw/zinc/12/34/08/1118123408.db2.gz ZCPIQLZDNSXEIE-PYTPGESOSA-N 2 1 278.484 3.787 20 0 CHADMP CC/C=C\CC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001167256533 1118123990 /nfs/dbraw/zinc/12/39/90/1118123990.db2.gz ZCPIQLZDNSXEIE-XDXAGZTOSA-N 2 1 278.484 3.787 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC2CCCCCCC2)[C@H](C)C1 ZINC000765238127 1118140046 /nfs/dbraw/zinc/14/00/46/1118140046.db2.gz DSANCAKLBPRZSO-WBVHZDCISA-N 2 1 266.473 3.667 20 0 CHADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094338753 1118153030 /nfs/dbraw/zinc/15/30/30/1118153030.db2.gz MGGDWPAKJIXVGU-GLJUWKHASA-N 2 1 268.404 3.570 20 0 CHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)CC1CCCCC1 ZINC001648818487 1118229387 /nfs/dbraw/zinc/22/93/87/1118229387.db2.gz BACKKULSUICNPR-JQHSSLGASA-N 2 1 278.484 3.809 20 0 CHADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)CC1CCCCC1 ZINC001648818487 1118229392 /nfs/dbraw/zinc/22/93/92/1118229392.db2.gz BACKKULSUICNPR-JQHSSLGASA-N 2 1 278.484 3.809 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CC[C@H](C)C2)cc1F ZINC001648903639 1118273880 /nfs/dbraw/zinc/27/38/80/1118273880.db2.gz UUUYSJJEQIAYOA-WFASDCNBSA-N 2 1 287.382 3.598 20 0 CHADMP CCc1oc2ccccc2c1C[NH2+]CCCn1cc[nH+]c1C ZINC000069754332 1118370700 /nfs/dbraw/zinc/37/07/00/1118370700.db2.gz BKMPNMTZVZQIQP-UHFFFAOYSA-N 2 1 297.402 3.680 20 0 CHADMP Cc1ccc2oc(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)cc2c1 ZINC000580097458 1118379293 /nfs/dbraw/zinc/37/92/93/1118379293.db2.gz NQONCMHRADDPNI-JKIFEVAISA-N 2 1 286.419 3.560 20 0 CHADMP Cc1ccc2oc(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)cc2c1 ZINC000580097458 1118379296 /nfs/dbraw/zinc/37/92/96/1118379296.db2.gz NQONCMHRADDPNI-JKIFEVAISA-N 2 1 286.419 3.560 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3cnccc3c2)C[C@@H]1C ZINC000683831056 1118397681 /nfs/dbraw/zinc/39/76/81/1118397681.db2.gz GLGSGXFWOUGYHF-KXBFYZLASA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3cnccc3c2)C[C@@H]1C ZINC000683831056 1118397686 /nfs/dbraw/zinc/39/76/86/1118397686.db2.gz GLGSGXFWOUGYHF-KXBFYZLASA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3cnccc3c2)C[C@@H]1C ZINC000683831056 1118397689 /nfs/dbraw/zinc/39/76/89/1118397689.db2.gz GLGSGXFWOUGYHF-KXBFYZLASA-N 2 1 297.446 3.539 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC2(C)CC2)CC1 ZINC000683831822 1118399541 /nfs/dbraw/zinc/39/95/41/1118399541.db2.gz FSXPLVSNPTWPCI-MRXNPFEDSA-N 2 1 278.484 3.763 20 0 CHADMP CC[N@H+](CC[NH2+][C@H]1CCC[C@H](C(C)C)C1)C(C)C ZINC001655491948 1118405025 /nfs/dbraw/zinc/40/50/25/1118405025.db2.gz LNDZXODZMQIEEA-HOTGVXAUSA-N 2 1 254.462 3.521 20 0 CHADMP CC[N@@H+](CC[NH2+][C@H]1CCC[C@H](C(C)C)C1)C(C)C ZINC001655491948 1118405027 /nfs/dbraw/zinc/40/50/27/1118405027.db2.gz LNDZXODZMQIEEA-HOTGVXAUSA-N 2 1 254.462 3.521 20 0 CHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000262001669 1118479043 /nfs/dbraw/zinc/47/90/43/1118479043.db2.gz VFWWKGCVSNQRGP-OXQOHEQNSA-N 2 1 294.442 3.913 20 0 CHADMP CCC[C@H](CC)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000050400008 1118490810 /nfs/dbraw/zinc/49/08/10/1118490810.db2.gz YBGXMXWVANYDRA-KRWDZBQOSA-N 2 1 274.452 3.819 20 0 CHADMP CC1=C(C)C[C@@H]([C@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C)CC1 ZINC001659951235 1118494646 /nfs/dbraw/zinc/49/46/46/1118494646.db2.gz FVRGRBXIYVASSX-IKGGRYGDSA-N 2 1 266.473 3.830 20 0 CHADMP CC1=C(C)C[C@@H]([C@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC001659951235 1118494648 /nfs/dbraw/zinc/49/46/48/1118494648.db2.gz FVRGRBXIYVASSX-IKGGRYGDSA-N 2 1 266.473 3.830 20 0 CHADMP CC(C)[C@H](C[N@@H+](C)CCCn1ccnc1)c1ccccc1 ZINC000349347868 1118501378 /nfs/dbraw/zinc/50/13/78/1118501378.db2.gz MSTKYDZQMBERIH-SFHVURJKSA-N 2 1 285.435 3.645 20 0 CHADMP CCCC[C@H](CC)[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000398323718 1118527778 /nfs/dbraw/zinc/52/77/78/1118527778.db2.gz NSAAMZNTZBBDPM-INDMIFKZSA-N 2 1 286.463 3.675 20 0 CHADMP CCCC[C@H](CC)[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000398323718 1118527779 /nfs/dbraw/zinc/52/77/79/1118527779.db2.gz NSAAMZNTZBBDPM-INDMIFKZSA-N 2 1 286.463 3.675 20 0 CHADMP CCCCC[C@H](C)[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000398343323 1118537957 /nfs/dbraw/zinc/53/79/57/1118537957.db2.gz WBZGLPNLAVKRBR-GDAAHCPNSA-N 2 1 286.463 3.675 20 0 CHADMP CCCCC[C@H](C)[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000398343323 1118537961 /nfs/dbraw/zinc/53/79/61/1118537961.db2.gz WBZGLPNLAVKRBR-GDAAHCPNSA-N 2 1 286.463 3.675 20 0 CHADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(SC)cc1 ZINC000349406446 1118577504 /nfs/dbraw/zinc/57/75/04/1118577504.db2.gz LMECOFUJHVZVQF-UHFFFAOYSA-N 2 1 292.492 3.716 20 0 CHADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(SC)cc1 ZINC000349406446 1118577505 /nfs/dbraw/zinc/57/75/05/1118577505.db2.gz LMECOFUJHVZVQF-UHFFFAOYSA-N 2 1 292.492 3.716 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C/C=C\Cl)cc1 ZINC000588420726 1118646580 /nfs/dbraw/zinc/64/65/80/1118646580.db2.gz YGFGERWBRDVAOU-CPWLGJMPSA-N 2 1 275.783 3.584 20 0 CHADMP Clc1cscc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656784137 1118657798 /nfs/dbraw/zinc/65/77/98/1118657798.db2.gz YXAWUQGLPOXSOA-CYBMUJFWSA-N 2 1 298.883 3.613 20 0 CHADMP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCc4ccccc43)CC[NH2+]2)cc1 ZINC000656791014 1118658225 /nfs/dbraw/zinc/65/82/25/1118658225.db2.gz PQHVBZCXLMQLOD-MISYRCLQSA-N 2 1 292.426 3.757 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(C)c(C)cc2C)CC1 ZINC000510468055 1118706293 /nfs/dbraw/zinc/70/62/93/1118706293.db2.gz WLMYIUAYGOOHFZ-UHFFFAOYSA-N 2 1 288.479 3.918 20 0 CHADMP CCCC[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000211868295 1118763707 /nfs/dbraw/zinc/76/37/07/1118763707.db2.gz OFURFURJEZUBTE-SFHVURJKSA-N 2 1 290.426 3.667 20 0 CHADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001648913646 1118770086 /nfs/dbraw/zinc/77/00/86/1118770086.db2.gz BXCMHHMSFGIKKZ-YYIAUSFCSA-N 2 1 280.500 3.911 20 0 CHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001648913646 1118770088 /nfs/dbraw/zinc/77/00/88/1118770088.db2.gz BXCMHHMSFGIKKZ-YYIAUSFCSA-N 2 1 280.500 3.911 20 0 CHADMP CC[N@H+](CC[NH2+][C@H](C)CCc1c(F)cccc1F)C(C)C ZINC000510679390 1118786322 /nfs/dbraw/zinc/78/63/22/1118786322.db2.gz GUBWFXXYKAEKOJ-CQSZACIVSA-N 2 1 298.421 3.606 20 0 CHADMP CC[N@@H+](CC[NH2+][C@H](C)CCc1c(F)cccc1F)C(C)C ZINC000510679390 1118786326 /nfs/dbraw/zinc/78/63/26/1118786326.db2.gz GUBWFXXYKAEKOJ-CQSZACIVSA-N 2 1 298.421 3.606 20 0 CHADMP CC(C)[N@@H+](Cc1ccc(C(F)F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC001206592202 1128802272 /nfs/dbraw/zinc/80/22/72/1128802272.db2.gz YDDANZZWSUTYKZ-MRXNPFEDSA-N 2 1 296.405 3.977 20 0 CHADMP C[C@H]([NH+](C)C/C=C\C[N@H+](C)[C@@H](C)C1(C)CC1)C1(C)CC1 ZINC000255086539 1118866312 /nfs/dbraw/zinc/86/63/12/1118866312.db2.gz JMUCYNWEQNNFJE-FLELRFNZSA-N 2 1 278.484 3.783 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000510928569 1118864576 /nfs/dbraw/zinc/86/45/76/1118864576.db2.gz AIDBACRUFXYCFS-JKSUJKDBSA-N 2 1 277.456 3.776 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[C@H]1C1CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510947024 1118872251 /nfs/dbraw/zinc/87/22/51/1118872251.db2.gz XKHIRBKSUXYQQZ-QNDJGXFYSA-N 2 1 290.495 3.808 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(Cl)c(F)c2)C1 ZINC000535777440 1118885276 /nfs/dbraw/zinc/88/52/76/1118885276.db2.gz GTYFQULJZVNJAR-CHWSQXEVSA-N 2 1 298.833 3.862 20 0 CHADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000535780299 1118887405 /nfs/dbraw/zinc/88/74/05/1118887405.db2.gz XPXPBHWEQOQWQF-OAHLLOKOSA-N 2 1 266.473 3.619 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000535780299 1118887410 /nfs/dbraw/zinc/88/74/10/1118887410.db2.gz XPXPBHWEQOQWQF-OAHLLOKOSA-N 2 1 266.473 3.619 20 0 CHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2ccc(F)cc2F)C1 ZINC000151120345 1118921228 /nfs/dbraw/zinc/92/12/28/1118921228.db2.gz BGAIGVAKQBFPBG-GUYCJALGSA-N 2 1 296.405 3.737 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2ccc(F)cc2F)C1 ZINC000151120345 1118921231 /nfs/dbraw/zinc/92/12/31/1118921231.db2.gz BGAIGVAKQBFPBG-GUYCJALGSA-N 2 1 296.405 3.737 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000511009724 1118943290 /nfs/dbraw/zinc/94/32/90/1118943290.db2.gz CMCAPVREWLBVPP-RBUKOAKNSA-N 2 1 297.446 3.816 20 0 CHADMP Cc1ccoc1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000380910187 1118964911 /nfs/dbraw/zinc/96/49/11/1118964911.db2.gz KVXBPILLPDLELZ-GOSISDBHSA-N 2 1 298.430 3.590 20 0 CHADMP Cc1ccoc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000380910187 1118964913 /nfs/dbraw/zinc/96/49/13/1118964913.db2.gz KVXBPILLPDLELZ-GOSISDBHSA-N 2 1 298.430 3.590 20 0 CHADMP C[N@@H+](C1CCC(C(C)(C)C)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000226450381 1118971846 /nfs/dbraw/zinc/97/18/46/1118971846.db2.gz MRBCYXUJHHFHQH-HWOWSKLDSA-N 2 1 266.473 3.665 20 0 CHADMP CC[NH+]1CCC([N@H+](C)CC[C@H]2CC=C(C)C2(C)C)CC1 ZINC001207278188 1119016752 /nfs/dbraw/zinc/01/67/52/1119016752.db2.gz AOHGTUOWETYPPE-MRXNPFEDSA-N 2 1 278.484 3.785 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)CC[C@H]2CC=C(C)C2(C)C)CC1 ZINC001207278188 1119016754 /nfs/dbraw/zinc/01/67/54/1119016754.db2.gz AOHGTUOWETYPPE-MRXNPFEDSA-N 2 1 278.484 3.785 20 0 CHADMP CC(C)C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000044534782 1119056497 /nfs/dbraw/zinc/05/64/97/1119056497.db2.gz MIIWXDBJIZARBD-AEFFLSMTSA-N 2 1 274.452 3.705 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2C[C@@H](C)c3ccccc32)C1 ZINC000582383124 1119064551 /nfs/dbraw/zinc/06/45/51/1119064551.db2.gz MHZPQVAWNXHILB-GJYPPUQNSA-N 2 1 286.463 3.945 20 0 CHADMP C[N@H+](CCCNc1cc[nH+]cc1Cl)Cc1ccccc1 ZINC000094266940 1119080248 /nfs/dbraw/zinc/08/02/48/1119080248.db2.gz SNRXKTIOLWNNDK-UHFFFAOYSA-N 2 1 289.810 3.669 20 0 CHADMP C[N@@H+](CCCNc1cc[nH+]cc1Cl)Cc1ccccc1 ZINC000094266940 1119080251 /nfs/dbraw/zinc/08/02/51/1119080251.db2.gz SNRXKTIOLWNNDK-UHFFFAOYSA-N 2 1 289.810 3.669 20 0 CHADMP CCC1CC([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)C1 ZINC000342730602 1119147015 /nfs/dbraw/zinc/14/70/15/1119147015.db2.gz JWCZIYHQRPDRTI-UHFFFAOYSA-N 2 1 287.382 3.598 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C1CC(F)(F)C1 ZINC000628203026 1128826958 /nfs/dbraw/zinc/82/69/58/1128826958.db2.gz QLEMYJOKKPIGMD-KBPBESRZSA-N 2 1 288.426 3.522 20 0 CHADMP C[C@H]1CC[C@@](C)(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1(C)C ZINC000657589315 1119198803 /nfs/dbraw/zinc/19/88/03/1119198803.db2.gz IJNAXYFYKXEPNJ-LHHMISFZSA-N 2 1 278.484 3.665 20 0 CHADMP Cc1cccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c1C ZINC000119656352 1119219255 /nfs/dbraw/zinc/21/92/55/1119219255.db2.gz GLPJZODOKIEESP-HNNXBMFYSA-N 2 1 272.436 3.581 20 0 CHADMP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000119702327 1119220523 /nfs/dbraw/zinc/22/05/23/1119220523.db2.gz TUSLHFRYFOBKEU-PXNSSMCTSA-N 2 1 298.474 3.614 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+]CCCC3CCC3)CC2)cc1 ZINC000657667187 1119234212 /nfs/dbraw/zinc/23/42/12/1119234212.db2.gz VFMSOAKCIURBSC-UHFFFAOYSA-N 2 1 286.463 3.821 20 0 CHADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000300328642 1119273354 /nfs/dbraw/zinc/27/33/54/1119273354.db2.gz PDTVREQOONSWSO-RCCFBDPRSA-N 2 1 280.500 3.911 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)C1(C)CC1 ZINC000154872171 1119321063 /nfs/dbraw/zinc/32/10/63/1119321063.db2.gz JTLUFVJATBIERG-OAHLLOKOSA-N 2 1 274.452 3.805 20 0 CHADMP C1=C(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000657749438 1119336626 /nfs/dbraw/zinc/33/66/26/1119336626.db2.gz CRYJDJQEYAWSES-IBGZPJMESA-N 2 1 296.458 3.884 20 0 CHADMP C1=C(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000657749438 1119336628 /nfs/dbraw/zinc/33/66/28/1119336628.db2.gz CRYJDJQEYAWSES-IBGZPJMESA-N 2 1 296.458 3.884 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(SC)c(F)c2)C1 ZINC000163249229 1119382168 /nfs/dbraw/zinc/38/21/68/1119382168.db2.gz QGJOWYCIVHVYIH-QWHCGFSZSA-N 2 1 296.455 3.540 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000583745738 1119405169 /nfs/dbraw/zinc/40/51/69/1119405169.db2.gz MXUKBTMIPWPJCA-NJAFHUGGSA-N 2 1 274.452 3.500 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000583745738 1119405171 /nfs/dbraw/zinc/40/51/71/1119405171.db2.gz MXUKBTMIPWPJCA-NJAFHUGGSA-N 2 1 274.452 3.500 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000583745739 1119405264 /nfs/dbraw/zinc/40/52/64/1119405264.db2.gz MXUKBTMIPWPJCA-NXHRZFHOSA-N 2 1 274.452 3.500 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000583745739 1119405265 /nfs/dbraw/zinc/40/52/65/1119405265.db2.gz MXUKBTMIPWPJCA-NXHRZFHOSA-N 2 1 274.452 3.500 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C3(C4CC4)CC3)CC23CC3)cc1 ZINC000583811864 1119416217 /nfs/dbraw/zinc/41/62/17/1119416217.db2.gz DBPZZPQNBUFZFO-SFHVURJKSA-N 2 1 296.458 3.716 20 0 CHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3(C4CC4)CC3)CC23CC3)cc1 ZINC000583811864 1119416219 /nfs/dbraw/zinc/41/62/19/1119416219.db2.gz DBPZZPQNBUFZFO-SFHVURJKSA-N 2 1 296.458 3.716 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000583839712 1119421456 /nfs/dbraw/zinc/42/14/56/1119421456.db2.gz UIQZBUJORBDPNA-RFSCMCKOSA-N 2 1 296.405 3.531 20 0 CHADMP CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccccc1F ZINC000168758747 1119475556 /nfs/dbraw/zinc/47/55/56/1119475556.db2.gz WXFAEAUQZLZYJF-WMLDXEAASA-N 2 1 278.415 3.598 20 0 CHADMP CC(C)[NH+](CCC[N@H+](C(C)C)C1CCC1)C1CCC1 ZINC000343728970 1119495715 /nfs/dbraw/zinc/49/57/15/1119495715.db2.gz JXFPTJMRTGGIJL-UHFFFAOYSA-N 2 1 266.473 3.902 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCSCC1 ZINC000657837981 1119498990 /nfs/dbraw/zinc/49/89/90/1119498990.db2.gz LMGJZPAUKXALFC-HZPDHXFCSA-N 2 1 284.513 3.516 20 0 CHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC000081632332 1119520161 /nfs/dbraw/zinc/52/01/61/1119520161.db2.gz YBLIJQRIVLIMHP-INIZCTEOSA-N 2 1 292.854 3.504 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CC2(C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000090773034 1119549858 /nfs/dbraw/zinc/54/98/58/1119549858.db2.gz ZMKKFNIUXQVYDZ-LPHOPBHVSA-N 2 1 298.474 3.819 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CC2(C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000090773034 1119549862 /nfs/dbraw/zinc/54/98/62/1119549862.db2.gz ZMKKFNIUXQVYDZ-LPHOPBHVSA-N 2 1 298.474 3.819 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccccc1Cl)C(C)C ZINC000091313913 1119554457 /nfs/dbraw/zinc/55/44/57/1119554457.db2.gz QCEAMTQAMXDDNN-MRXNPFEDSA-N 2 1 291.826 3.832 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(F)cn1 ZINC000092739330 1119564974 /nfs/dbraw/zinc/56/49/74/1119564974.db2.gz DNPLEIMHASGEDU-GJZGRUSLSA-N 2 1 293.430 3.526 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)cs1 ZINC000381377099 1119584212 /nfs/dbraw/zinc/58/42/12/1119584212.db2.gz OHWLUMDSIVCSKI-OAHLLOKOSA-N 2 1 280.481 3.829 20 0 CHADMP CCCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCC1 ZINC000685469217 1119612598 /nfs/dbraw/zinc/61/25/98/1119612598.db2.gz VVGQWWBALHGLOC-ULQDDVLXSA-N 2 1 264.457 3.562 20 0 CHADMP CCC[NH+]1CCC(Nc2cccc3cc[nH+]cc32)CC1 ZINC000131443292 1119635512 /nfs/dbraw/zinc/63/55/12/1119635512.db2.gz MBHOWSYISNMICA-UHFFFAOYSA-N 2 1 269.392 3.521 20 0 CHADMP CC(C)[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1F ZINC000658165419 1119695305 /nfs/dbraw/zinc/69/53/05/1119695305.db2.gz DVTBPIHTDOASHX-SFHVURJKSA-N 2 1 290.426 3.739 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]C2CC(C)(C)C2)C[C@@H]1c1ccccc1 ZINC000658347125 1119729122 /nfs/dbraw/zinc/72/91/22/1119729122.db2.gz ZOUDGZSDEAUCDC-DOTOQJQBSA-N 2 1 272.436 3.600 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C2CC(C)(C)C2)C[C@@H]1c1ccccc1 ZINC000658347125 1119729126 /nfs/dbraw/zinc/72/91/26/1119729126.db2.gz ZOUDGZSDEAUCDC-DOTOQJQBSA-N 2 1 272.436 3.600 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000340176109 1119744736 /nfs/dbraw/zinc/74/47/36/1119744736.db2.gz FINAYHVWFUKBSZ-RBUKOAKNSA-N 2 1 280.415 3.612 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000340176109 1119744738 /nfs/dbraw/zinc/74/47/38/1119744738.db2.gz FINAYHVWFUKBSZ-RBUKOAKNSA-N 2 1 280.415 3.612 20 0 CHADMP Cc1nccn1CCC[N@H+](C)C[C@@H](C)c1ccc(C)cc1 ZINC000628280051 1119788523 /nfs/dbraw/zinc/78/85/23/1119788523.db2.gz NBMONYSKKWAWMA-MRXNPFEDSA-N 2 1 285.435 3.626 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](C)c1ccc(C)cc1 ZINC000628280051 1119788526 /nfs/dbraw/zinc/78/85/26/1119788526.db2.gz NBMONYSKKWAWMA-MRXNPFEDSA-N 2 1 285.435 3.626 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](C)c1ccc(C)cc1 ZINC000628280051 1119788528 /nfs/dbraw/zinc/78/85/28/1119788528.db2.gz NBMONYSKKWAWMA-MRXNPFEDSA-N 2 1 285.435 3.626 20 0 CHADMP CC[C@H]1C[N@@H+](Cc2cc3cc(C)c(C)cc3o2)CC[C@H]1[NH3+] ZINC000647498329 1119850531 /nfs/dbraw/zinc/85/05/31/1119850531.db2.gz FMGZIRXGCAAAGJ-WMLDXEAASA-N 2 1 286.419 3.609 20 0 CHADMP CC(C)[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272365831 1119855140 /nfs/dbraw/zinc/85/51/40/1119855140.db2.gz TWIAURVGVIHSFD-JZXOWHBKSA-N 2 1 274.452 3.531 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)CCc2ccc3ccccc3c2)CC[N@@H+]1C ZINC000531142950 1119888161 /nfs/dbraw/zinc/88/81/61/1119888161.db2.gz GTIPHWZAXVNAPE-JXFKEZNVSA-N 2 1 296.458 3.797 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)CCc2ccc3ccccc3c2)CC[N@H+]1C ZINC000531142950 1119888166 /nfs/dbraw/zinc/88/81/66/1119888166.db2.gz GTIPHWZAXVNAPE-JXFKEZNVSA-N 2 1 296.458 3.797 20 0 CHADMP C[C@H]1C[C@@H]([N@H+](C)CCc2ccc3ccccc3c2)CC[NH+]1C ZINC000531142950 1119888170 /nfs/dbraw/zinc/88/81/70/1119888170.db2.gz GTIPHWZAXVNAPE-JXFKEZNVSA-N 2 1 296.458 3.797 20 0 CHADMP C[C@H]1C[C@@H]([N@@H+](C)CCc2ccc3ccccc3c2)CC[NH+]1C ZINC000531142950 1119888172 /nfs/dbraw/zinc/88/81/72/1119888172.db2.gz GTIPHWZAXVNAPE-JXFKEZNVSA-N 2 1 296.458 3.797 20 0 CHADMP CCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000531143300 1119892801 /nfs/dbraw/zinc/89/28/01/1119892801.db2.gz PENLDRONOLVOLW-CRAIPNDOSA-N 2 1 274.452 3.554 20 0 CHADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC001258162173 1128875728 /nfs/dbraw/zinc/87/57/28/1128875728.db2.gz IHTDNTAGMXLGCZ-DMRKSPOLSA-N 2 1 266.473 3.520 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000414171151 1119925637 /nfs/dbraw/zinc/92/56/37/1119925637.db2.gz CRELTJPAVBCXHC-FPAYPSAMSA-N 2 1 286.463 3.500 20 0 CHADMP CCC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000414175631 1119926913 /nfs/dbraw/zinc/92/69/13/1119926913.db2.gz HMVVXARMPRDNBP-HOCLYGCPSA-N 2 1 280.481 3.911 20 0 CHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000414176531 1119928131 /nfs/dbraw/zinc/92/81/31/1119928131.db2.gz IGZBTXUPTQMABS-KSSFIOAISA-N 2 1 290.426 3.598 20 0 CHADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(F)c1 ZINC000414176117 1119928252 /nfs/dbraw/zinc/92/82/52/1119928252.db2.gz HZPJKWRHYJGTDN-WMLDXEAASA-N 2 1 278.415 3.598 20 0 CHADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC001258162171 1128878370 /nfs/dbraw/zinc/87/83/70/1128878370.db2.gz IHTDNTAGMXLGCZ-ALYAQQCSSA-N 2 1 266.473 3.520 20 0 CHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CC(C)(C)Cc3occc32)C1 ZINC000414180302 1119929340 /nfs/dbraw/zinc/92/93/40/1119929340.db2.gz LUUSZGBEMCTBNK-GDBMZVCRSA-N 2 1 290.451 3.615 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(C)s1 ZINC000414185485 1119930212 /nfs/dbraw/zinc/93/02/12/1119930212.db2.gz OQJRZEJNAUBTCM-UKRRQHHQSA-N 2 1 280.481 3.747 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1nccc2ccccc21 ZINC000414187080 1119931773 /nfs/dbraw/zinc/93/17/73/1119931773.db2.gz PPJSVJQNIRRVDK-HOTGVXAUSA-N 2 1 297.446 3.617 20 0 CHADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cc(F)ccc1F ZINC000414187594 1119932207 /nfs/dbraw/zinc/93/22/07/1119932207.db2.gz QCRDIGKFVIHEAZ-DYVFJYSZSA-N 2 1 296.405 3.737 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1C ZINC000414186894 1119932313 /nfs/dbraw/zinc/93/23/13/1119932313.db2.gz PQJRBPJIWIWSPW-DLBZAZTESA-N 2 1 274.452 3.686 20 0 CHADMP Cc1ccc([C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C2CCC2)o1 ZINC000414202385 1119936676 /nfs/dbraw/zinc/93/66/76/1119936676.db2.gz YLIMKQANMUQKTO-QAPCUYQASA-N 2 1 290.451 3.751 20 0 CHADMP CC[C@H](Cc1cccs1)[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001116295403 1120077519 /nfs/dbraw/zinc/07/75/19/1120077519.db2.gz IFUXKXHWAUQQRC-VNQPRFMTSA-N 2 1 280.481 3.532 20 0 CHADMP CC(C)C1CCC(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000181481044 1120104109 /nfs/dbraw/zinc/10/41/09/1120104109.db2.gz DCMXULLREQNWKP-OTBWCIGPSA-N 2 1 266.473 3.521 20 0 CHADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449133517 1128890617 /nfs/dbraw/zinc/89/06/17/1128890617.db2.gz YSJPKLYCCQTOQA-HJOIGYKYSA-N 2 1 296.499 3.577 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2)[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000353202366 1120118657 /nfs/dbraw/zinc/11/86/57/1120118657.db2.gz PDJIYBHLLKSJOF-KBAYOESNSA-N 2 1 272.436 3.554 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2)[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000353202366 1120118660 /nfs/dbraw/zinc/11/86/60/1120118660.db2.gz PDJIYBHLLKSJOF-KBAYOESNSA-N 2 1 272.436 3.554 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2)[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000353202366 1120118661 /nfs/dbraw/zinc/11/86/61/1120118661.db2.gz PDJIYBHLLKSJOF-KBAYOESNSA-N 2 1 272.436 3.554 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3sccc3c2)[C@@H](C)C1 ZINC000580262061 1120121668 /nfs/dbraw/zinc/12/16/68/1120121668.db2.gz HZYFDXDWIPDHJA-BBRMVZONSA-N 2 1 288.460 3.721 20 0 CHADMP C[N@@H+](CCC1CCCCCC1)C1CCC([NH3+])CC1 ZINC000394538992 1120148949 /nfs/dbraw/zinc/14/89/49/1120148949.db2.gz RKLZRYJVVSEKQE-UHFFFAOYSA-N 2 1 252.446 3.549 20 0 CHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000111695820 1120155043 /nfs/dbraw/zinc/15/50/43/1120155043.db2.gz NSHSDCRZGYIKTE-GOEBONIOSA-N 2 1 274.452 3.543 20 0 CHADMP CSc1cccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000659865517 1120212374 /nfs/dbraw/zinc/21/23/74/1120212374.db2.gz CVKWTZQCAISALD-UHFFFAOYSA-N 2 1 292.492 3.713 20 0 CHADMP CSc1cccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000659865517 1120212376 /nfs/dbraw/zinc/21/23/76/1120212376.db2.gz CVKWTZQCAISALD-UHFFFAOYSA-N 2 1 292.492 3.713 20 0 CHADMP C[C@H]([NH2+][C@H]1CCCC[C@@H]1[NH+](C)C)C1CCC(F)(F)CC1 ZINC001116861436 1120221373 /nfs/dbraw/zinc/22/13/73/1120221373.db2.gz RFABBGZWEMKILX-QEJZJMRPSA-N 2 1 288.426 3.663 20 0 CHADMP CCCCc1ccc(C[N@@H+](CCC)C[C@H]2CC[NH2+]C2)s1 ZINC001236833922 1128902198 /nfs/dbraw/zinc/90/21/98/1128902198.db2.gz DIUQUVUKKDRYFP-HNNXBMFYSA-N 2 1 294.508 3.912 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](CCC(C)C)C1CC1 ZINC000338773241 1120293515 /nfs/dbraw/zinc/29/35/15/1120293515.db2.gz DEBVLUADTAWQIL-RHSMWYFYSA-N 2 1 277.456 3.632 20 0 CHADMP CC(C)(C)CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000499556133 1120321618 /nfs/dbraw/zinc/32/16/18/1120321618.db2.gz YQCJHSPDWMHBBZ-NVXWUHKLSA-N 2 1 278.484 3.761 20 0 CHADMP CC(C)(C)CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000499556133 1120321620 /nfs/dbraw/zinc/32/16/20/1120321620.db2.gz YQCJHSPDWMHBBZ-NVXWUHKLSA-N 2 1 278.484 3.761 20 0 CHADMP CC(C)(C)CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000499556133 1120321625 /nfs/dbraw/zinc/32/16/25/1120321625.db2.gz YQCJHSPDWMHBBZ-NVXWUHKLSA-N 2 1 278.484 3.761 20 0 CHADMP C[NH+]1CCC[C@@H]2C[N@H+](CC[C@@H]3CCc4ccccc43)CC[C@H]21 ZINC000660009767 1120339264 /nfs/dbraw/zinc/33/92/64/1120339264.db2.gz ACHBPBQAQHRWLQ-NLWGTHIKSA-N 2 1 298.474 3.523 20 0 CHADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC[C@@H]3CCc4ccccc43)CC[C@H]21 ZINC000660009767 1120339270 /nfs/dbraw/zinc/33/92/70/1120339270.db2.gz ACHBPBQAQHRWLQ-NLWGTHIKSA-N 2 1 298.474 3.523 20 0 CHADMP CC(C)C[C@@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000473014732 1120385180 /nfs/dbraw/zinc/38/51/80/1120385180.db2.gz JAEIIVYUAZQSAD-DLBZAZTESA-N 2 1 266.473 3.619 20 0 CHADMP CC(C)C[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000473014732 1120385185 /nfs/dbraw/zinc/38/51/85/1120385185.db2.gz JAEIIVYUAZQSAD-DLBZAZTESA-N 2 1 266.473 3.619 20 0 CHADMP CC(C)C[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000473014732 1120385190 /nfs/dbraw/zinc/38/51/90/1120385190.db2.gz JAEIIVYUAZQSAD-DLBZAZTESA-N 2 1 266.473 3.619 20 0 CHADMP CC(C)C[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000473014734 1120385282 /nfs/dbraw/zinc/38/52/82/1120385282.db2.gz JAEIIVYUAZQSAD-IRXDYDNUSA-N 2 1 266.473 3.619 20 0 CHADMP CC(C)C[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000473014734 1120385287 /nfs/dbraw/zinc/38/52/87/1120385287.db2.gz JAEIIVYUAZQSAD-IRXDYDNUSA-N 2 1 266.473 3.619 20 0 CHADMP CC(C)C[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000473014734 1120385293 /nfs/dbraw/zinc/38/52/93/1120385293.db2.gz JAEIIVYUAZQSAD-IRXDYDNUSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H]1C[C@H](NC2(CF)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000584590053 1120395774 /nfs/dbraw/zinc/39/57/74/1120395774.db2.gz IRCXDEFIKFPQQC-NVXWUHKLSA-N 2 1 290.426 3.521 20 0 CHADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000682376611 1120413850 /nfs/dbraw/zinc/41/38/50/1120413850.db2.gz LXLNUSWAXWSECQ-UUAJXVIYSA-N 2 1 266.473 3.520 20 0 CHADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000682376611 1120413854 /nfs/dbraw/zinc/41/38/54/1120413854.db2.gz LXLNUSWAXWSECQ-UUAJXVIYSA-N 2 1 266.473 3.520 20 0 CHADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2(CF)CCC2)CC1 ZINC000584720657 1120420676 /nfs/dbraw/zinc/42/06/76/1120420676.db2.gz JHIBHJJPAGGZQG-GOEBONIOSA-N 2 1 282.447 3.511 20 0 CHADMP CCC[C@H](C)CCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000629548178 1128915175 /nfs/dbraw/zinc/91/51/75/1128915175.db2.gz MMWXCMNNBMREEL-FJIDUMEYSA-N 2 1 296.499 3.564 20 0 CHADMP CCC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)[C@H]1CC1(C)C ZINC000417306403 1120424977 /nfs/dbraw/zinc/42/49/77/1120424977.db2.gz GDKYBTOGNNZFHS-HZPDHXFCSA-N 2 1 277.456 3.776 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CC23CC3)cc1 ZINC000417345562 1120432861 /nfs/dbraw/zinc/43/28/61/1120432861.db2.gz XSCPNANBPYEUEH-XJKSGUPXSA-N 2 1 281.403 3.631 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2CC24CC4)C3)cc1 ZINC000417344651 1120433108 /nfs/dbraw/zinc/43/31/08/1120433108.db2.gz WLEMSUVHAPCKOA-OKYOBFRVSA-N 2 1 296.458 3.572 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000660204942 1120439980 /nfs/dbraw/zinc/43/99/80/1120439980.db2.gz REGSLENLJBHRSX-PLYYQAHHSA-N 2 1 295.430 3.877 20 0 CHADMP c1cc(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)cs1 ZINC000189242783 1120477420 /nfs/dbraw/zinc/47/74/20/1120477420.db2.gz AIEUINUCKCFMHC-UHFFFAOYSA-N 2 1 292.492 3.804 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000019943242 1120497242 /nfs/dbraw/zinc/49/72/42/1120497242.db2.gz NAMADMHQJCSVHU-CYBMUJFWSA-N 2 1 268.832 3.723 20 0 CHADMP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCC[NH+](C)C ZINC000019959023 1120499457 /nfs/dbraw/zinc/49/94/57/1120499457.db2.gz DCWHCJKLLSNLSI-CYBMUJFWSA-N 2 1 274.408 3.598 20 0 CHADMP CCC[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000500073869 1120503850 /nfs/dbraw/zinc/50/38/50/1120503850.db2.gz JBGPKGFWQSQUMT-ULQDDVLXSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(C(F)F)nc1 ZINC000657824992 1120533915 /nfs/dbraw/zinc/53/39/15/1120533915.db2.gz TUEVBKZAPRCEHC-CYBMUJFWSA-N 2 1 297.393 3.546 20 0 CHADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc2ccccc2c1 ZINC000499903969 1120547975 /nfs/dbraw/zinc/54/79/75/1120547975.db2.gz CVCJWOGNWXUPTH-UHFFFAOYSA-N 2 1 282.431 3.758 20 0 CHADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc2ccccc2c1 ZINC000499903969 1120547981 /nfs/dbraw/zinc/54/79/81/1120547981.db2.gz CVCJWOGNWXUPTH-UHFFFAOYSA-N 2 1 282.431 3.758 20 0 CHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000019913011 1120548855 /nfs/dbraw/zinc/54/88/55/1120548855.db2.gz KLWSNYSXZKFAJO-CVEARBPZSA-N 2 1 260.425 3.602 20 0 CHADMP CC[NH+](CC)CCC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000019942783 1120551225 /nfs/dbraw/zinc/55/12/25/1120551225.db2.gz PNTRQFQUQVKHQO-UHFFFAOYSA-N 2 1 288.357 3.527 20 0 CHADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000499935552 1120553157 /nfs/dbraw/zinc/55/31/57/1120553157.db2.gz AKAMAQLIXAPJBX-ZDUSSCGKSA-N 2 1 298.833 3.958 20 0 CHADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000499935552 1120553161 /nfs/dbraw/zinc/55/31/61/1120553161.db2.gz AKAMAQLIXAPJBX-ZDUSSCGKSA-N 2 1 298.833 3.958 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000660417128 1120590039 /nfs/dbraw/zinc/59/00/39/1120590039.db2.gz SAVZNXPKGLJOFO-ZACQAIPSSA-N 2 1 289.467 3.594 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000660417128 1120590044 /nfs/dbraw/zinc/59/00/44/1120590044.db2.gz SAVZNXPKGLJOFO-ZACQAIPSSA-N 2 1 289.467 3.594 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC=C(C)C ZINC000660417080 1120590200 /nfs/dbraw/zinc/59/02/00/1120590200.db2.gz RBJXMPKQWBQARF-UHFFFAOYSA-N 2 1 263.429 3.514 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC=C(C)C ZINC000660417080 1120590205 /nfs/dbraw/zinc/59/02/05/1120590205.db2.gz RBJXMPKQWBQARF-UHFFFAOYSA-N 2 1 263.429 3.514 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@@H+](CC[C@@H]2CCc3ccccc32)CC1 ZINC000660416644 1120590605 /nfs/dbraw/zinc/59/06/05/1120590605.db2.gz VEYCAQBLNUBJAH-ROUUACIJSA-N 2 1 286.463 3.523 20 0 CHADMP CCCCC[C@@H](C)[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000398343327 1120608400 /nfs/dbraw/zinc/60/84/00/1120608400.db2.gz WBZGLPNLAVKRBR-YSHGAJCASA-N 2 1 286.463 3.675 20 0 CHADMP CCCCC[C@@H](C)[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000398343327 1120608402 /nfs/dbraw/zinc/60/84/02/1120608402.db2.gz WBZGLPNLAVKRBR-YSHGAJCASA-N 2 1 286.463 3.675 20 0 CHADMP CC[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000390836085 1120650907 /nfs/dbraw/zinc/65/09/07/1120650907.db2.gz VEWZRIKVCSMPTK-DQIHPLBOSA-N 2 1 264.457 3.560 20 0 CHADMP CC(C)c1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000660538673 1120654450 /nfs/dbraw/zinc/65/44/50/1120654450.db2.gz HPSLYBIZBNHCLJ-DFNIBXOVSA-N 2 1 286.463 3.867 20 0 CHADMP CC(C)c1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000660538673 1120654455 /nfs/dbraw/zinc/65/44/55/1120654455.db2.gz HPSLYBIZBNHCLJ-DFNIBXOVSA-N 2 1 286.463 3.867 20 0 CHADMP CC(C)c1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000660538673 1120654457 /nfs/dbraw/zinc/65/44/57/1120654457.db2.gz HPSLYBIZBNHCLJ-DFNIBXOVSA-N 2 1 286.463 3.867 20 0 CHADMP CC1=C(C)C[NH+]([C@H](C)CC[N@H+]2CCC(C)=C(C)C2)CC1 ZINC000483380211 1120664535 /nfs/dbraw/zinc/66/45/35/1120664535.db2.gz PIOGPBQCCMSOFD-GOSISDBHSA-N 2 1 276.468 3.849 20 0 CHADMP CC1=C(C)C[NH+](CC[C@@H](C)[N@@H+]2CCC(C)=C(C)C2)CC1 ZINC000483380211 1120664537 /nfs/dbraw/zinc/66/45/37/1120664537.db2.gz PIOGPBQCCMSOFD-GOSISDBHSA-N 2 1 276.468 3.849 20 0 CHADMP c1sc2ccccc2c1CN[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000054463325 1120751412 /nfs/dbraw/zinc/75/14/12/1120751412.db2.gz QHVFAQADMGWOID-JKSUJKDBSA-N 2 1 286.444 3.618 20 0 CHADMP c1sc2ccccc2c1C[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000054463325 1120751415 /nfs/dbraw/zinc/75/14/15/1120751415.db2.gz QHVFAQADMGWOID-JKSUJKDBSA-N 2 1 286.444 3.618 20 0 CHADMP c1sc2ccccc2c1C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000054463325 1120751420 /nfs/dbraw/zinc/75/14/20/1120751420.db2.gz QHVFAQADMGWOID-JKSUJKDBSA-N 2 1 286.444 3.618 20 0 CHADMP c1sc2ccccc2c1C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000054463325 1120751424 /nfs/dbraw/zinc/75/14/24/1120751424.db2.gz QHVFAQADMGWOID-JKSUJKDBSA-N 2 1 286.444 3.618 20 0 CHADMP CCCSC[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000893487725 1120795285 /nfs/dbraw/zinc/79/52/85/1120795285.db2.gz LWGZRHBCSWEDQD-JYJNAYRXSA-N 2 1 298.540 3.761 20 0 CHADMP C[C@H]([NH2+]C1(C2CCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000652272702 1120806444 /nfs/dbraw/zinc/80/64/44/1120806444.db2.gz UFLLYFLJAHWSSE-FUHWJXTLSA-N 2 1 298.474 3.819 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc(C(C)C)c1 ZINC000663315464 1120922664 /nfs/dbraw/zinc/92/26/64/1120922664.db2.gz KKAMVRWBRHEPMD-HNNXBMFYSA-N 2 1 285.435 3.741 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1CCC1 ZINC000398800673 1120945326 /nfs/dbraw/zinc/94/53/26/1120945326.db2.gz NTEYJQSXQOUCFZ-VQIMIIECSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1CCC1 ZINC000398800673 1120945329 /nfs/dbraw/zinc/94/53/29/1120945329.db2.gz NTEYJQSXQOUCFZ-VQIMIIECSA-N 2 1 286.463 3.677 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150827183 1120949569 /nfs/dbraw/zinc/94/95/69/1120949569.db2.gz HQCFSFQPBCRLND-QAPCUYQASA-N 2 1 290.426 3.695 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150827183 1120949573 /nfs/dbraw/zinc/94/95/73/1120949573.db2.gz HQCFSFQPBCRLND-QAPCUYQASA-N 2 1 290.426 3.695 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCCNc1[nH+]ccc2[nH]ccc21 ZINC000663391536 1120959428 /nfs/dbraw/zinc/95/94/28/1120959428.db2.gz HQESKNQPFFISRM-CQSZACIVSA-N 2 1 286.423 3.629 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)oc1C ZINC000663463731 1120980584 /nfs/dbraw/zinc/98/05/84/1120980584.db2.gz BEQDXOZVALQXPB-WMLDXEAASA-N 2 1 290.451 3.669 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)oc1C ZINC000663463731 1120980587 /nfs/dbraw/zinc/98/05/87/1120980587.db2.gz BEQDXOZVALQXPB-WMLDXEAASA-N 2 1 290.451 3.669 20 0 CHADMP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663464143 1120981087 /nfs/dbraw/zinc/98/10/87/1120981087.db2.gz COWVDGNIRSDRPD-BBWFWOEESA-N 2 1 278.484 3.523 20 0 CHADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469565 1120984603 /nfs/dbraw/zinc/98/46/03/1120984603.db2.gz QLVIRIFOSWXJBQ-SJLPKXTDSA-N 2 1 286.463 3.768 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)CC2 ZINC000663471394 1120984734 /nfs/dbraw/zinc/98/47/34/1120984734.db2.gz XQQBIYBQLRJLMK-FXAWDEMLSA-N 2 1 298.474 3.694 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)CCOc1ccccc1 ZINC001167824739 1120997637 /nfs/dbraw/zinc/99/76/37/1120997637.db2.gz GDVYOCPLUHFRCI-QGZVFWFLSA-N 2 1 292.467 3.508 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)CCc1ccc(C)cc1 ZINC001167827415 1121002950 /nfs/dbraw/zinc/00/29/50/1121002950.db2.gz VTMDHFUEPRRLTM-GOSISDBHSA-N 2 1 290.495 3.980 20 0 CHADMP C[C@H]([NH3+])C[NH2+][C@H](Cc1ccccc1Cl)c1cccs1 ZINC000643527368 1121006371 /nfs/dbraw/zinc/00/63/71/1121006371.db2.gz LOEWZOAZUXMUMO-SMDDNHRTSA-N 2 1 294.851 3.622 20 0 CHADMP CCC[N@H+](C)CC(C)(C)[NH2+]CC1CCC(C)(C)CC1 ZINC001174819097 1121043622 /nfs/dbraw/zinc/04/36/22/1121043622.db2.gz UXWNWXUZZSQLJF-UHFFFAOYSA-N 2 1 268.489 3.913 20 0 CHADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CC1CCC(C)(C)CC1 ZINC001174819097 1121043628 /nfs/dbraw/zinc/04/36/28/1121043628.db2.gz UXWNWXUZZSQLJF-UHFFFAOYSA-N 2 1 268.489 3.913 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000344144768 1121102076 /nfs/dbraw/zinc/10/20/76/1121102076.db2.gz VZUALGILXLIZIR-KBXCAEBGSA-N 2 1 290.426 3.525 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000344147165 1121104224 /nfs/dbraw/zinc/10/42/24/1121104224.db2.gz VZUALGILXLIZIR-RDTXWAMCSA-N 2 1 290.426 3.525 20 0 CHADMP C(CC1CCCCC1)C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001207608882 1121141668 /nfs/dbraw/zinc/14/16/68/1121141668.db2.gz ZUMLQORADGFGNT-UHFFFAOYSA-N 2 1 264.457 3.517 20 0 CHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3CC=CCC3)C2)CC1 ZINC000512178298 1121141777 /nfs/dbraw/zinc/14/17/77/1121141777.db2.gz IVFGOAWYDCSNPR-MOPGFXCFSA-N 2 1 290.495 3.787 20 0 CHADMP Cc1cc(NC[C@H]2CC[N@H+](C(C)C)C2)c2ccccc2[nH+]1 ZINC000040623899 1121147934 /nfs/dbraw/zinc/14/79/34/1121147934.db2.gz NLULCWWBYWQUOI-OAHLLOKOSA-N 2 1 283.419 3.685 20 0 CHADMP Cc1cc(NC[C@@H]2CC[N@H+](C(C)C)C2)c2ccccc2[nH+]1 ZINC000040623896 1121148518 /nfs/dbraw/zinc/14/85/18/1121148518.db2.gz NLULCWWBYWQUOI-HNNXBMFYSA-N 2 1 283.419 3.685 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(Cl)c2)[C@H](C)C1 ZINC000093638920 1128966443 /nfs/dbraw/zinc/96/64/43/1128966443.db2.gz PWKCEOWHDLVCEE-WBMJQRKESA-N 2 1 298.833 3.641 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(Cl)c2)[C@H](C)C1 ZINC000093638920 1128966445 /nfs/dbraw/zinc/96/64/45/1128966445.db2.gz PWKCEOWHDLVCEE-WBMJQRKESA-N 2 1 298.833 3.641 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)c(Cl)c2)[C@H](C)C1 ZINC000093638920 1128966448 /nfs/dbraw/zinc/96/64/48/1128966448.db2.gz PWKCEOWHDLVCEE-WBMJQRKESA-N 2 1 298.833 3.641 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)c(Cl)c2)[C@H](C)C1 ZINC000093638920 1128966451 /nfs/dbraw/zinc/96/64/51/1128966451.db2.gz PWKCEOWHDLVCEE-WBMJQRKESA-N 2 1 298.833 3.641 20 0 CHADMP CCCc1ccc(C[NH+]2CCC(CC)([NH+](C)C)CC2)cc1 ZINC001175118678 1121189440 /nfs/dbraw/zinc/18/94/40/1121189440.db2.gz BEEQTEBBKKVRTA-UHFFFAOYSA-N 2 1 288.479 3.945 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246160496 1121280799 /nfs/dbraw/zinc/28/07/99/1121280799.db2.gz HQCFSFQPBCRLND-MAUKXSAKSA-N 2 1 290.426 3.695 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246160496 1121280803 /nfs/dbraw/zinc/28/08/03/1121280803.db2.gz HQCFSFQPBCRLND-MAUKXSAKSA-N 2 1 290.426 3.695 20 0 CHADMP Cc1c2ccccc2oc1[C@@H](C)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000124339608 1121291560 /nfs/dbraw/zinc/29/15/60/1121291560.db2.gz JXXAMQFRBIJZRK-HUUCEWRRSA-N 2 1 298.430 3.876 20 0 CHADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000124339608 1121291566 /nfs/dbraw/zinc/29/15/66/1121291566.db2.gz JXXAMQFRBIJZRK-HUUCEWRRSA-N 2 1 298.430 3.876 20 0 CHADMP Cc1ccc2ccccc2c1C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001175445160 1121326816 /nfs/dbraw/zinc/32/68/16/1121326816.db2.gz WOJBPJUTLNELIW-FXAWDEMLSA-N 2 1 294.442 3.674 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC001175445160 1121326824 /nfs/dbraw/zinc/32/68/24/1121326824.db2.gz WOJBPJUTLNELIW-FXAWDEMLSA-N 2 1 294.442 3.674 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC001175445160 1121326831 /nfs/dbraw/zinc/32/68/31/1121326831.db2.gz WOJBPJUTLNELIW-FXAWDEMLSA-N 2 1 294.442 3.674 20 0 CHADMP Cc1ccc2ccccc2c1C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001175445163 1121327992 /nfs/dbraw/zinc/32/79/92/1121327992.db2.gz WOJBPJUTLNELIW-YLJYHZDGSA-N 2 1 294.442 3.674 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC001175445163 1121327999 /nfs/dbraw/zinc/32/79/99/1121327999.db2.gz WOJBPJUTLNELIW-YLJYHZDGSA-N 2 1 294.442 3.674 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC001175445163 1121328008 /nfs/dbraw/zinc/32/80/08/1121328008.db2.gz WOJBPJUTLNELIW-YLJYHZDGSA-N 2 1 294.442 3.674 20 0 CHADMP C[C@@H]1CC[C@H]([NH+](C)C/C=C\C[N@H+](C)[C@@H]2CC[C@H](C)C2)C1 ZINC000429580842 1121342991 /nfs/dbraw/zinc/34/29/91/1121342991.db2.gz RGOLOUYKFMHFOY-JPVWCZMSSA-N 2 1 278.484 3.783 20 0 CHADMP C[C@@H]1CC[C@H]([N@@H+](C)C/C=C\C[NH+](C)[C@@H]2CC[C@H](C)C2)C1 ZINC000429580842 1121343000 /nfs/dbraw/zinc/34/30/00/1121343000.db2.gz RGOLOUYKFMHFOY-JPVWCZMSSA-N 2 1 278.484 3.783 20 0 CHADMP C[C@@H]1CC[C@H]([N@H+](C)C/C=C\C[NH+](C)[C@@H]2CC[C@H](C)C2)C1 ZINC000429580842 1121343008 /nfs/dbraw/zinc/34/30/08/1121343008.db2.gz RGOLOUYKFMHFOY-JPVWCZMSSA-N 2 1 278.484 3.783 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](C)C2CC2)cc1 ZINC000675778245 1121354294 /nfs/dbraw/zinc/35/42/94/1121354294.db2.gz ANOAIPVECYMNNA-KBPBESRZSA-N 2 1 283.419 3.877 20 0 CHADMP CC(C)c1ccc(CC[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000432796080 1121359559 /nfs/dbraw/zinc/35/95/59/1121359559.db2.gz FICBMCMFRRDGHR-IBGZPJMESA-N 2 1 288.479 3.769 20 0 CHADMP Cc1cc(C)c(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1C ZINC000432797368 1121359635 /nfs/dbraw/zinc/35/96/35/1121359635.db2.gz DYJFLCIYANNBPS-GOSISDBHSA-N 2 1 274.452 3.528 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)o2)CC1 ZINC000432819399 1121387220 /nfs/dbraw/zinc/38/72/20/1121387220.db2.gz XPRPJVAKWUMZNM-QGZVFWFLSA-N 2 1 298.430 3.863 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)o2)CC1 ZINC000432819399 1121387229 /nfs/dbraw/zinc/38/72/29/1121387229.db2.gz XPRPJVAKWUMZNM-QGZVFWFLSA-N 2 1 298.430 3.863 20 0 CHADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC1(C)CCC1 ZINC000432833227 1121397612 /nfs/dbraw/zinc/39/76/12/1121397612.db2.gz VQIOBXOFYUGJKB-GOSISDBHSA-N 2 1 286.463 3.631 20 0 CHADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC1(C)CCC1 ZINC000432833227 1121397622 /nfs/dbraw/zinc/39/76/22/1121397622.db2.gz VQIOBXOFYUGJKB-GOSISDBHSA-N 2 1 286.463 3.631 20 0 CHADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(C)CCC1 ZINC000432833227 1121397631 /nfs/dbraw/zinc/39/76/31/1121397631.db2.gz VQIOBXOFYUGJKB-GOSISDBHSA-N 2 1 286.463 3.631 20 0 CHADMP C[C@H]1CC2(CCC2)C[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000433022709 1121522569 /nfs/dbraw/zinc/52/25/69/1121522569.db2.gz LNNZEAQTFPKYQS-HNNXBMFYSA-N 2 1 281.403 3.637 20 0 CHADMP Cc1ccc2cc[nH+]c(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000645127366 1121553401 /nfs/dbraw/zinc/55/34/01/1121553401.db2.gz LHFZVPMTNFUDEA-HZPDHXFCSA-N 2 1 281.403 3.582 20 0 CHADMP Cc1ccc2cc[nH+]c(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000645127366 1121553407 /nfs/dbraw/zinc/55/34/07/1121553407.db2.gz LHFZVPMTNFUDEA-HZPDHXFCSA-N 2 1 281.403 3.582 20 0 CHADMP C[C@H](CC1CCC1)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000635002096 1121557182 /nfs/dbraw/zinc/55/71/82/1121557182.db2.gz LMGXXCZVRYQBJT-FHLIZLRMSA-N 2 1 272.436 3.648 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000429439630 1121583362 /nfs/dbraw/zinc/58/33/62/1121583362.db2.gz ATRXCBNGVQJMNE-BHIYHBOVSA-N 2 1 298.474 3.819 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000429439630 1121583368 /nfs/dbraw/zinc/58/33/68/1121583368.db2.gz ATRXCBNGVQJMNE-BHIYHBOVSA-N 2 1 298.474 3.819 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCC2)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167917751 1121588207 /nfs/dbraw/zinc/58/82/07/1121588207.db2.gz CKZWXMRCPOFZRY-FBPKSFCNSA-N 2 1 276.468 3.547 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C2CC(C)(C)C2)C1 ZINC000433144713 1121591506 /nfs/dbraw/zinc/59/15/06/1121591506.db2.gz NJQVPGGBQMKTQD-GASCZTMLSA-N 2 1 266.473 3.523 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCC3(CCCCC3)CC2)C1 ZINC000466743550 1121594294 /nfs/dbraw/zinc/59/42/94/1121594294.db2.gz ONJDMBQCGFHWOW-INIZCTEOSA-N 2 1 278.484 3.811 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C2CC(C)(C)C2)c1 ZINC000433149095 1121595460 /nfs/dbraw/zinc/59/54/60/1121595460.db2.gz CPXBHGADVLXOIB-UHFFFAOYSA-N 2 1 274.452 3.805 20 0 CHADMP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccoc1 ZINC000094869071 1128997734 /nfs/dbraw/zinc/99/77/34/1128997734.db2.gz RPUFPOBERSCTSA-CQSZACIVSA-N 2 1 264.413 3.585 20 0 CHADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccoc1 ZINC000094869071 1128997737 /nfs/dbraw/zinc/99/77/37/1128997737.db2.gz RPUFPOBERSCTSA-CQSZACIVSA-N 2 1 264.413 3.585 20 0 CHADMP C[N@@H+]1CCC[C@@H](C[NH2+]C2CC(C)(C)C2)[C@H]1c1cccs1 ZINC000433267749 1121632464 /nfs/dbraw/zinc/63/24/64/1121632464.db2.gz HYZQUSVSYVODOX-BBRMVZONSA-N 2 1 292.492 3.909 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CC(C)(C)C2)[C@H]1c1cccs1 ZINC000433267749 1121632469 /nfs/dbraw/zinc/63/24/69/1121632469.db2.gz HYZQUSVSYVODOX-BBRMVZONSA-N 2 1 292.492 3.909 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2cccc(F)c2)C(C)(C)C)CC[N@@H+]1C ZINC000162180412 1121663348 /nfs/dbraw/zinc/66/33/48/1121663348.db2.gz NSWOXAQLUSOEHQ-XYPHTWIQSA-N 2 1 292.442 3.985 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2cccc(F)c2)C(C)(C)C)CC[N@H+]1C ZINC000162180412 1121663352 /nfs/dbraw/zinc/66/33/52/1121663352.db2.gz NSWOXAQLUSOEHQ-XYPHTWIQSA-N 2 1 292.442 3.985 20 0 CHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCC4CC4)[C@H]3C2)cc1 ZINC000512666418 1121673770 /nfs/dbraw/zinc/67/37/70/1121673770.db2.gz KKANHFVWWBYJRN-SLFFLAALSA-N 2 1 298.474 3.677 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000513236994 1121676753 /nfs/dbraw/zinc/67/67/53/1121676753.db2.gz ROWLAOXHDTWBMC-SJLPKXTDSA-N 2 1 274.452 3.801 20 0 CHADMP CCc1ccc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC001177294158 1121720296 /nfs/dbraw/zinc/72/02/96/1121720296.db2.gz GYCXHKSMGNEMOT-GASCZTMLSA-N 2 1 294.508 3.768 20 0 CHADMP Cc1cc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001177294392 1121720492 /nfs/dbraw/zinc/72/04/92/1121720492.db2.gz IYRVLFNGXVERRI-OKILXGFUSA-N 2 1 280.481 3.514 20 0 CHADMP Cc1cc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001177294392 1121720496 /nfs/dbraw/zinc/72/04/96/1121720496.db2.gz IYRVLFNGXVERRI-OKILXGFUSA-N 2 1 280.481 3.514 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001177262566 1121723529 /nfs/dbraw/zinc/72/35/29/1121723529.db2.gz WJMUKXIKALSXRD-LAVFITLUSA-N 2 1 278.484 3.689 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001177262566 1121723536 /nfs/dbraw/zinc/72/35/36/1121723536.db2.gz WJMUKXIKALSXRD-LAVFITLUSA-N 2 1 278.484 3.689 20 0 CHADMP CCC[C@H]([NH2+]C1CC[NH+](CCC)CC1)c1cc(C)ccn1 ZINC000631564245 1129006808 /nfs/dbraw/zinc/00/68/08/1129006808.db2.gz GHOVZSZEGIVKDJ-KRWDZBQOSA-N 2 1 289.467 3.695 20 0 CHADMP CCC1CCC([NH2+]CCCCn2cc[nH+]c2C)CC1 ZINC001177910424 1121756977 /nfs/dbraw/zinc/75/69/77/1121756977.db2.gz AIHGDSFGGNTSFJ-UHFFFAOYSA-N 2 1 263.429 3.530 20 0 CHADMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206325780 1121780949 /nfs/dbraw/zinc/78/09/49/1121780949.db2.gz JUMAHPWUEPBQGS-INIZCTEOSA-N 2 1 280.843 3.599 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CCCC[C@](F)(CN)C1 ZINC001206337680 1121802507 /nfs/dbraw/zinc/80/25/07/1121802507.db2.gz VFDJPBPBDCCWNS-QGZUEGPWSA-N 2 1 270.436 3.666 20 0 CHADMP CC/C=C\CCCCCN1CCCC[C@](F)(C[NH3+])C1 ZINC001206337680 1121802514 /nfs/dbraw/zinc/80/25/14/1121802514.db2.gz VFDJPBPBDCCWNS-QGZUEGPWSA-N 2 1 270.436 3.666 20 0 CHADMP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2cc3ccccc3s2)C1 ZINC001206344504 1121811275 /nfs/dbraw/zinc/81/12/75/1121811275.db2.gz TZOJKRXUHXIGMO-MRXNPFEDSA-N 2 1 292.423 3.554 20 0 CHADMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC001206344504 1121811282 /nfs/dbraw/zinc/81/12/82/1121811282.db2.gz TZOJKRXUHXIGMO-MRXNPFEDSA-N 2 1 292.423 3.554 20 0 CHADMP CC[NH+](CC)CCC[N@H+](CC)Cc1cccc(Cl)c1 ZINC001167037350 1121813583 /nfs/dbraw/zinc/81/35/83/1121813583.db2.gz BWBROTSPQIXUTB-UHFFFAOYSA-N 2 1 282.859 3.894 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1cccc(Cl)c1 ZINC001167037350 1121813589 /nfs/dbraw/zinc/81/35/89/1121813589.db2.gz BWBROTSPQIXUTB-UHFFFAOYSA-N 2 1 282.859 3.894 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC001178855787 1121822117 /nfs/dbraw/zinc/82/21/17/1121822117.db2.gz PJQWVCNOTHAZSH-KFWWJZLASA-N 2 1 254.462 3.521 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC001178855787 1121822127 /nfs/dbraw/zinc/82/21/27/1121822127.db2.gz PJQWVCNOTHAZSH-KFWWJZLASA-N 2 1 254.462 3.521 20 0 CHADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CC(C)(C)CC(C)(C)C2)C1 ZINC001178916573 1121829556 /nfs/dbraw/zinc/82/95/56/1121829556.db2.gz IEVBXLHSMOHZKT-OAHLLOKOSA-N 2 1 280.500 3.913 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000619772715 1129013542 /nfs/dbraw/zinc/01/35/42/1129013542.db2.gz YDJUIWWWRXDGLO-PMPSAXMXSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000619772715 1129013547 /nfs/dbraw/zinc/01/35/47/1129013547.db2.gz YDJUIWWWRXDGLO-PMPSAXMXSA-N 2 1 266.473 3.665 20 0 CHADMP CC1(C)CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC001179259526 1121865656 /nfs/dbraw/zinc/86/56/56/1121865656.db2.gz UTKWSZGSUMOJAZ-DLBZAZTESA-N 2 1 278.484 3.667 20 0 CHADMP CC[NH+]1CCC(C[N@H+]2CC[C@H]([C@H]3CCCC3(C)C)C2)CC1 ZINC001206394198 1121905314 /nfs/dbraw/zinc/90/53/14/1121905314.db2.gz ZPSNMMOILOURSK-ZWKOTPCHSA-N 2 1 292.511 3.867 20 0 CHADMP C[C@@]1(F)CCCC[N@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001206402604 1121914240 /nfs/dbraw/zinc/91/42/40/1121914240.db2.gz DTSQIPKGCBSKQZ-MRXNPFEDSA-N 2 1 270.436 3.513 20 0 CHADMP C[C@@]1(F)CCCC[N@@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001206402604 1121914245 /nfs/dbraw/zinc/91/42/45/1121914245.db2.gz DTSQIPKGCBSKQZ-MRXNPFEDSA-N 2 1 270.436 3.513 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(Cl)cc1 ZINC000501079390 1121952608 /nfs/dbraw/zinc/95/26/08/1121952608.db2.gz SIDSQGPMXVYZMX-UHFFFAOYSA-N 2 1 268.832 3.504 20 0 CHADMP CC[C@@H]1C[C@]1([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(C)c1 ZINC000419725377 1121964801 /nfs/dbraw/zinc/96/48/01/1121964801.db2.gz IKCXARXGDGCJLU-GSEOLPGOSA-N 2 1 298.474 3.837 20 0 CHADMP CC(C)OC[C@@H](C)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000501442347 1121978453 /nfs/dbraw/zinc/97/84/53/1121978453.db2.gz IXRADORQMIHSFZ-CVEARBPZSA-N 2 1 292.467 3.519 20 0 CHADMP c1ccc2c(c1)CCC[C@H]2[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000420298417 1121995278 /nfs/dbraw/zinc/99/52/78/1121995278.db2.gz FFWGMXFNJRGXMU-HNAYVOBHSA-N 2 1 284.447 3.528 20 0 CHADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1csc2ccccc12 ZINC000420297769 1121995875 /nfs/dbraw/zinc/99/58/75/1121995875.db2.gz DNEWTEVCVZZDFK-CQSZACIVSA-N 2 1 288.460 3.723 20 0 CHADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420301075 1121997856 /nfs/dbraw/zinc/99/78/56/1121997856.db2.gz KZVVNZCKESFBSO-UHOSZYNNSA-N 2 1 286.463 3.644 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420321535 1121999198 /nfs/dbraw/zinc/99/91/98/1121999198.db2.gz CPNDTAFRLHZNQK-QLFBSQMISA-N 2 1 292.854 3.723 20 0 CHADMP Cc1ccccc1[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420320587 1121999846 /nfs/dbraw/zinc/99/98/46/1121999846.db2.gz QRUWXCBBZLGNJV-WMZOPIPTSA-N 2 1 272.436 3.522 20 0 CHADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc2ccccc2c1 ZINC000420322295 1121999976 /nfs/dbraw/zinc/99/99/76/1121999976.db2.gz SKIMKZTZYMNBIY-MRXNPFEDSA-N 2 1 282.431 3.661 20 0 CHADMP FC(F)c1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420391426 1122003524 /nfs/dbraw/zinc/00/35/24/1122003524.db2.gz IHBGRACPHDSQQM-HOTGVXAUSA-N 2 1 294.389 3.588 20 0 CHADMP CC[N@@H+](C/C=C/c1c(C)cc(C)cc1C)CCC[NH+](C)C ZINC001181505981 1122060208 /nfs/dbraw/zinc/06/02/08/1122060208.db2.gz LMYKJLNCUKEPGE-CSKARUKUSA-N 2 1 288.479 3.899 20 0 CHADMP CC[N@H+](C/C=C/c1c(C)cc(C)cc1C)CCC[NH+](C)C ZINC001181505981 1122060216 /nfs/dbraw/zinc/06/02/16/1122060216.db2.gz LMYKJLNCUKEPGE-CSKARUKUSA-N 2 1 288.479 3.899 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC001181534043 1122061227 /nfs/dbraw/zinc/06/12/27/1122061227.db2.gz FMDJEYNEVGMMNP-BDXSIMOUSA-N 2 1 278.484 3.619 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC001181534043 1122061231 /nfs/dbraw/zinc/06/12/31/1122061231.db2.gz FMDJEYNEVGMMNP-BDXSIMOUSA-N 2 1 278.484 3.619 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC001181534043 1122061237 /nfs/dbraw/zinc/06/12/37/1122061237.db2.gz FMDJEYNEVGMMNP-BDXSIMOUSA-N 2 1 278.484 3.619 20 0 CHADMP C[N@@H+](CCC[NH2+][C@@H]1CCC[C@H]2C[C@]21C)Cc1ccccc1 ZINC000502254905 1122067427 /nfs/dbraw/zinc/06/74/27/1122067427.db2.gz XBYOFBYBGBKLJR-IPMKNSEASA-N 2 1 286.463 3.677 20 0 CHADMP CC[C@@H]1C[C@@]1([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc(C)c1 ZINC000502479157 1122091424 /nfs/dbraw/zinc/09/14/24/1122091424.db2.gz DAPWMWPWFMNSPR-NEWSRXKRSA-N 2 1 286.463 3.694 20 0 CHADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(C3CC3)c2)C1 ZINC000421319767 1122093138 /nfs/dbraw/zinc/09/31/38/1122093138.db2.gz OAPLJABWBWJUSZ-QGZVFWFLSA-N 2 1 286.463 3.728 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(C3CC3)c2)C1 ZINC000421319767 1122093140 /nfs/dbraw/zinc/09/31/40/1122093140.db2.gz OAPLJABWBWJUSZ-QGZVFWFLSA-N 2 1 286.463 3.728 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(C3CC3)c2)C1 ZINC000421319767 1122093145 /nfs/dbraw/zinc/09/31/45/1122093145.db2.gz OAPLJABWBWJUSZ-QGZVFWFLSA-N 2 1 286.463 3.728 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000421319767 1122093149 /nfs/dbraw/zinc/09/31/49/1122093149.db2.gz OAPLJABWBWJUSZ-QGZVFWFLSA-N 2 1 286.463 3.728 20 0 CHADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC001182173288 1122113264 /nfs/dbraw/zinc/11/32/64/1122113264.db2.gz INUGESIOPYLKAT-WMZOPIPTSA-N 2 1 276.468 3.634 20 0 CHADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC001182173288 1122113266 /nfs/dbraw/zinc/11/32/66/1122113266.db2.gz INUGESIOPYLKAT-WMZOPIPTSA-N 2 1 276.468 3.634 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1F ZINC001182151678 1122114527 /nfs/dbraw/zinc/11/45/27/1122114527.db2.gz CFJMREBXQYHBIC-JKSUJKDBSA-N 2 1 294.458 3.857 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1F ZINC001182151678 1122114532 /nfs/dbraw/zinc/11/45/32/1122114532.db2.gz CFJMREBXQYHBIC-JKSUJKDBSA-N 2 1 294.458 3.857 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C[C@@H](CC)c1ccccc1 ZINC001182151854 1122114923 /nfs/dbraw/zinc/11/49/23/1122114923.db2.gz FMRIHTIRYFDGQC-DLBZAZTESA-N 2 1 276.468 3.890 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C[C@@H](CC)c1ccccc1 ZINC001182151854 1122114925 /nfs/dbraw/zinc/11/49/25/1122114925.db2.gz FMRIHTIRYFDGQC-DLBZAZTESA-N 2 1 276.468 3.890 20 0 CHADMP Cc1ccc(C)c([C@@H](C)[N@@H+](C)CC[C@H]2CCC[NH+]2C)c1 ZINC000502690050 1122133747 /nfs/dbraw/zinc/13/37/47/1122133747.db2.gz PUOOZCVYZRAENL-IAGOWNOFSA-N 2 1 274.452 3.781 20 0 CHADMP Cc1ccc(C)c([C@@H](C)[NH+](C)CC[C@H]2CCC[N@@H+]2C)c1 ZINC000502690050 1122133751 /nfs/dbraw/zinc/13/37/51/1122133751.db2.gz PUOOZCVYZRAENL-IAGOWNOFSA-N 2 1 274.452 3.781 20 0 CHADMP Cc1ccc(C)c([C@@H](C)[NH+](C)CC[C@H]2CCC[N@H+]2C)c1 ZINC000502690050 1122133754 /nfs/dbraw/zinc/13/37/54/1122133754.db2.gz PUOOZCVYZRAENL-IAGOWNOFSA-N 2 1 274.452 3.781 20 0 CHADMP Cc1ccc([C@@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)cc1C ZINC000502693814 1122137784 /nfs/dbraw/zinc/13/77/84/1122137784.db2.gz XMKBUYCXKGNKGR-MOPGFXCFSA-N 2 1 286.463 3.925 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)cc1C ZINC000502693814 1122137788 /nfs/dbraw/zinc/13/77/88/1122137788.db2.gz XMKBUYCXKGNKGR-MOPGFXCFSA-N 2 1 286.463 3.925 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)cc1C ZINC000502693814 1122137790 /nfs/dbraw/zinc/13/77/90/1122137790.db2.gz XMKBUYCXKGNKGR-MOPGFXCFSA-N 2 1 286.463 3.925 20 0 CHADMP CC(C)[C@@H](c1ccccc1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000502853970 1122151722 /nfs/dbraw/zinc/15/17/22/1122151722.db2.gz DMYMEJGNIJXCGX-MSOLQXFVSA-N 2 1 274.452 3.800 20 0 CHADMP CC(C)[C@@H](c1ccccc1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000502853970 1122151726 /nfs/dbraw/zinc/15/17/26/1122151726.db2.gz DMYMEJGNIJXCGX-MSOLQXFVSA-N 2 1 274.452 3.800 20 0 CHADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000503002147 1122161832 /nfs/dbraw/zinc/16/18/32/1122161832.db2.gz BSMDIVJPSOVYOB-UKBAYJJMSA-N 2 1 286.463 3.500 20 0 CHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000503002147 1122161835 /nfs/dbraw/zinc/16/18/35/1122161835.db2.gz BSMDIVJPSOVYOB-UKBAYJJMSA-N 2 1 286.463 3.500 20 0 CHADMP CCC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(F)cc1F ZINC000271757318 1122174078 /nfs/dbraw/zinc/17/40/78/1122174078.db2.gz DRSHQGWISIODCI-MRXNPFEDSA-N 2 1 293.361 3.601 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c2ccccc12 ZINC001205264709 1122217644 /nfs/dbraw/zinc/21/76/44/1122217644.db2.gz KWQVXQUFGUQFLK-LJQANCHMSA-N 2 1 282.431 3.852 20 0 CHADMP CC1=CC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC001183379227 1122222187 /nfs/dbraw/zinc/22/21/87/1122222187.db2.gz KGUBIZBKWUXRFH-WMZOPIPTSA-N 2 1 276.468 3.872 20 0 CHADMP CC1=CC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC001183379227 1122222191 /nfs/dbraw/zinc/22/21/91/1122222191.db2.gz KGUBIZBKWUXRFH-WMZOPIPTSA-N 2 1 276.468 3.872 20 0 CHADMP C[N@@H+]([C@@H]1C[C@H]2C[C@H]2C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001167948215 1122223231 /nfs/dbraw/zinc/22/32/31/1122223231.db2.gz KZBVEHZHDCJHMQ-JLVBRIDZSA-N 2 1 276.468 3.514 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205296217 1122275019 /nfs/dbraw/zinc/27/50/19/1122275019.db2.gz JGMBHJSSQWDJAZ-GVDBMIGSSA-N 2 1 266.473 3.676 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205303969 1122287647 /nfs/dbraw/zinc/28/76/47/1122287647.db2.gz MAJCNQYGHHPGPE-JSGCOSHPSA-N 2 1 288.460 3.626 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205303968 1122287804 /nfs/dbraw/zinc/28/78/04/1122287804.db2.gz MAJCNQYGHHPGPE-GXTWGEPZSA-N 2 1 288.460 3.626 20 0 CHADMP Cc1ccc2cc([C@H](C)[NH2+]C[C@@H]3CCCN(C)C3)oc2c1 ZINC000515009363 1122470170 /nfs/dbraw/zinc/47/01/70/1122470170.db2.gz DSJQJHYSKQBDBY-GJZGRUSLSA-N 2 1 286.419 3.734 20 0 CHADMP Cc1ccc2cc([C@H](C)[NH2+]C[C@@H]3CCC[N@H+](C)C3)oc2c1 ZINC000515009363 1122470172 /nfs/dbraw/zinc/47/01/72/1122470172.db2.gz DSJQJHYSKQBDBY-GJZGRUSLSA-N 2 1 286.419 3.734 20 0 CHADMP Cc1ccc2cc([C@H](C)[NH2+]C[C@@H]3CCC[N@@H+](C)C3)oc2c1 ZINC000515009363 1122470173 /nfs/dbraw/zinc/47/01/73/1122470173.db2.gz DSJQJHYSKQBDBY-GJZGRUSLSA-N 2 1 286.419 3.734 20 0 CHADMP C[NH2+]CCC[N@H+](Cc1ccccc1)[C@H](C)c1cccs1 ZINC000435871848 1122494750 /nfs/dbraw/zinc/49/47/50/1122494750.db2.gz VFOKIIXGUFYGSH-OAHLLOKOSA-N 2 1 288.460 3.921 20 0 CHADMP C[NH2+]CCC[N@@H+](Cc1ccccc1)[C@H](C)c1cccs1 ZINC000435871848 1122494755 /nfs/dbraw/zinc/49/47/55/1122494755.db2.gz VFOKIIXGUFYGSH-OAHLLOKOSA-N 2 1 288.460 3.921 20 0 CHADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1(c2ccccc2)CCCC1 ZINC000515702690 1122526732 /nfs/dbraw/zinc/52/67/32/1122526732.db2.gz VOEBCDYACWUBTH-QGZVFWFLSA-N 2 1 298.474 3.738 20 0 CHADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000436317687 1122536975 /nfs/dbraw/zinc/53/69/75/1122536975.db2.gz WIFKKZDEDGMRFI-CSFVBSKPSA-N 2 1 292.854 3.516 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000436317687 1122536977 /nfs/dbraw/zinc/53/69/77/1122536977.db2.gz WIFKKZDEDGMRFI-CSFVBSKPSA-N 2 1 292.854 3.516 20 0 CHADMP C(=C\C1CC1)\C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716693195 1122636393 /nfs/dbraw/zinc/63/63/93/1122636393.db2.gz OPHFIYMBASPBLC-QWUFYTQJSA-N 2 1 296.458 3.595 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775524304 1122639705 /nfs/dbraw/zinc/63/97/05/1122639705.db2.gz FLZRKXRPWHXYKG-RYRKJORJSA-N 2 1 297.446 3.576 20 0 CHADMP CC1=CC[C@H](CC[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)C1(C)C ZINC001205603045 1122650837 /nfs/dbraw/zinc/65/08/37/1122650837.db2.gz NIMLWJBEWGAUKD-USXIJHARSA-N 2 1 278.484 3.676 20 0 CHADMP CCCCc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)s1 ZINC001205617494 1122667947 /nfs/dbraw/zinc/66/79/47/1122667947.db2.gz KIXNFNFFRUBWSO-LSDHHAIUSA-N 2 1 294.508 3.898 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC[N@@H+]1C ZINC000438185459 1122685540 /nfs/dbraw/zinc/68/55/40/1122685540.db2.gz MGXDQDSBRSNZOI-OQIJWPOYSA-N 2 1 286.463 3.569 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC[N@H+]1C ZINC000438185459 1122685542 /nfs/dbraw/zinc/68/55/42/1122685542.db2.gz MGXDQDSBRSNZOI-OQIJWPOYSA-N 2 1 286.463 3.569 20 0 CHADMP Cc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c(C)c1 ZINC000506322859 1122718148 /nfs/dbraw/zinc/71/81/48/1122718148.db2.gz BPGJNYWEDWLTKI-UHFFFAOYSA-N 2 1 286.463 3.754 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(C(C)(C)C)cc2)CC[N@H+]1C ZINC000153641681 1129074475 /nfs/dbraw/zinc/07/44/75/1129074475.db2.gz TVVTWRSHRUYLAD-YJBOKZPZSA-N 2 1 288.479 3.599 20 0 CHADMP CCc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)ccc1Cl ZINC001205652461 1122748367 /nfs/dbraw/zinc/74/83/67/1122748367.db2.gz PQKZGMZQYZULPK-CZUORRHYSA-N 2 1 294.870 3.709 20 0 CHADMP C(=C/c1ccccc1)\C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167963767 1122758011 /nfs/dbraw/zinc/75/80/11/1122758011.db2.gz CZOXUFWUIDTWGL-XUFVNAEXSA-N 2 1 296.458 3.695 20 0 CHADMP CC/C=C\CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001194268740 1122763970 /nfs/dbraw/zinc/76/39/70/1122763970.db2.gz JESFNRXPEKZCMG-XQQSMPNESA-N 2 1 298.474 3.941 20 0 CHADMP CC/C=C\CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001194268740 1122763974 /nfs/dbraw/zinc/76/39/74/1122763974.db2.gz JESFNRXPEKZCMG-XQQSMPNESA-N 2 1 298.474 3.941 20 0 CHADMP CC/C=C\CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001194268740 1122763977 /nfs/dbraw/zinc/76/39/77/1122763977.db2.gz JESFNRXPEKZCMG-XQQSMPNESA-N 2 1 298.474 3.941 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000439324355 1122772076 /nfs/dbraw/zinc/77/20/76/1122772076.db2.gz SDBJWVDVXZBDAE-QRQLOZEOSA-N 2 1 286.463 3.739 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2)CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000439324355 1122772079 /nfs/dbraw/zinc/77/20/79/1122772079.db2.gz SDBJWVDVXZBDAE-QRQLOZEOSA-N 2 1 286.463 3.739 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2)CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000439324355 1122772084 /nfs/dbraw/zinc/77/20/84/1122772084.db2.gz SDBJWVDVXZBDAE-QRQLOZEOSA-N 2 1 286.463 3.739 20 0 CHADMP CCCc1ccc(C[N@@H+](C)C2CCN(CC)CC2)cc1 ZINC000506673199 1122802952 /nfs/dbraw/zinc/80/29/52/1122802952.db2.gz FYVILTSWUTXEAY-UHFFFAOYSA-N 2 1 274.452 3.555 20 0 CHADMP CCCc1ccc(C[N@@H+](C)C2CC[NH+](CC)CC2)cc1 ZINC000506673199 1122802966 /nfs/dbraw/zinc/80/29/66/1122802966.db2.gz FYVILTSWUTXEAY-UHFFFAOYSA-N 2 1 274.452 3.555 20 0 CHADMP CCN1CCC([N@@H+](C)C/C=C\c2ccc(Cl)cc2)CC1 ZINC000506691349 1122807755 /nfs/dbraw/zinc/80/77/55/1122807755.db2.gz YHRXXKZNCOOXHP-PLNGDYQASA-N 2 1 292.854 3.769 20 0 CHADMP CC[NH+]1CCC(N(C)C/C=C\c2ccc(Cl)cc2)CC1 ZINC000506691349 1122807760 /nfs/dbraw/zinc/80/77/60/1122807760.db2.gz YHRXXKZNCOOXHP-PLNGDYQASA-N 2 1 292.854 3.769 20 0 CHADMP C1=C(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCCC1 ZINC001167965351 1122810538 /nfs/dbraw/zinc/81/05/38/1122810538.db2.gz BUTDOCMRWMVGAF-YQQQUEKLSA-N 2 1 288.479 3.872 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2ccccc2C)C[C@H]1C ZINC000440328899 1122838705 /nfs/dbraw/zinc/83/87/05/1122838705.db2.gz UGRCBOCUTJDIBR-IEBWSBKVSA-N 2 1 288.479 3.732 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2ccccc2C)C[C@H]1C ZINC000440328899 1122838713 /nfs/dbraw/zinc/83/87/13/1122838713.db2.gz UGRCBOCUTJDIBR-IEBWSBKVSA-N 2 1 288.479 3.732 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2ccccc2C)C[C@H]1C ZINC000440328899 1122838720 /nfs/dbraw/zinc/83/87/20/1122838720.db2.gz UGRCBOCUTJDIBR-IEBWSBKVSA-N 2 1 288.479 3.732 20 0 CHADMP Cc1cc(F)ccc1[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC001195124187 1122846238 /nfs/dbraw/zinc/84/62/38/1122846238.db2.gz SSUWIPFTLKDYIL-WMZOPIPTSA-N 2 1 290.426 3.755 20 0 CHADMP Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC001195124187 1122846242 /nfs/dbraw/zinc/84/62/42/1122846242.db2.gz SSUWIPFTLKDYIL-WMZOPIPTSA-N 2 1 290.426 3.755 20 0 CHADMP Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC001195124187 1122846248 /nfs/dbraw/zinc/84/62/48/1122846248.db2.gz SSUWIPFTLKDYIL-WMZOPIPTSA-N 2 1 290.426 3.755 20 0 CHADMP CC1(C)CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167973174 1122869326 /nfs/dbraw/zinc/86/93/26/1122869326.db2.gz IJYREQNISKHFQA-MGNMYUMUSA-N 2 1 276.468 3.560 20 0 CHADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2[C@@H]2C=CCCC2)CC1 ZINC001196936127 1122940252 /nfs/dbraw/zinc/94/02/52/1122940252.db2.gz PYTIUGZNYKESQD-MSOLQXFVSA-N 2 1 276.468 3.682 20 0 CHADMP c1ccc(-c2cccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)c2)cc1 ZINC000427109799 1122944959 /nfs/dbraw/zinc/94/49/59/1122944959.db2.gz RZSALAPFMASQGM-WOJBJXKFSA-N 2 1 292.426 3.537 20 0 CHADMP CC(C)C[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000427120193 1122945239 /nfs/dbraw/zinc/94/52/39/1122945239.db2.gz AHMZKWRLXVPXNB-IPMKNSEASA-N 2 1 286.463 3.500 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000267204460 1129088423 /nfs/dbraw/zinc/08/84/23/1129088423.db2.gz GGBVXXGPTMEUMZ-AWEZNQCLSA-N 2 1 279.387 3.696 20 0 CHADMP CCC[C@@H](C)CCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001197931067 1122973873 /nfs/dbraw/zinc/97/38/73/1122973873.db2.gz UXFZCQTVRBSLEJ-IAGOWNOFSA-N 2 1 289.467 3.809 20 0 CHADMP F[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001198479803 1122995246 /nfs/dbraw/zinc/99/52/46/1122995246.db2.gz UBNLWSBNBYEYMP-GOSISDBHSA-N 2 1 290.426 3.606 20 0 CHADMP CC[C@H](C[NH2+]C[C@H](C)[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC001199268468 1123026068 /nfs/dbraw/zinc/02/60/68/1123026068.db2.gz YBKYKHGHXMCFMO-OKZBNKHCSA-N 2 1 288.479 3.890 20 0 CHADMP CC[C@H](C[NH2+]C[C@H](C)[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC001199268468 1123026074 /nfs/dbraw/zinc/02/60/74/1123026074.db2.gz YBKYKHGHXMCFMO-OKZBNKHCSA-N 2 1 288.479 3.890 20 0 CHADMP CC[C@H](F)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000440781685 1123038599 /nfs/dbraw/zinc/03/85/99/1123038599.db2.gz ISECJAOBPNDWTG-BPQIPLTHSA-N 2 1 292.442 3.719 20 0 CHADMP CC[C@H](F)C[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000440781685 1123038605 /nfs/dbraw/zinc/03/86/05/1123038605.db2.gz ISECJAOBPNDWTG-BPQIPLTHSA-N 2 1 292.442 3.719 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCC[C@@H](c2ccccc2)C1 ZINC001199864430 1123043241 /nfs/dbraw/zinc/04/32/41/1123043241.db2.gz KSIAWPWKJLOVGB-MOPGFXCFSA-N 2 1 297.446 3.898 20 0 CHADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(Oc2ccccc2)cc1 ZINC001203946040 1123050756 /nfs/dbraw/zinc/05/07/56/1123050756.db2.gz SCYGXMCTAIDZPK-UHFFFAOYSA-N 2 1 298.430 3.862 20 0 CHADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(Oc2ccccc2)cc1 ZINC001203946040 1123050760 /nfs/dbraw/zinc/05/07/60/1123050760.db2.gz SCYGXMCTAIDZPK-UHFFFAOYSA-N 2 1 298.430 3.862 20 0 CHADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001205912779 1123075620 /nfs/dbraw/zinc/07/56/20/1123075620.db2.gz CFTJHIMOPZXRKY-GDBMZVCRSA-N 2 1 274.452 3.543 20 0 CHADMP C[N@@H+](CCc1ccccc1Cl)CC[C@H]1CCCC[NH+]1C ZINC000441372174 1123082632 /nfs/dbraw/zinc/08/26/32/1123082632.db2.gz BNRRBIRBZBRMHK-MRXNPFEDSA-N 2 1 294.870 3.689 20 0 CHADMP C[N@H+](CCc1ccccc1Cl)CC[C@H]1CCCC[NH+]1C ZINC000441372174 1123082637 /nfs/dbraw/zinc/08/26/37/1123082637.db2.gz BNRRBIRBZBRMHK-MRXNPFEDSA-N 2 1 294.870 3.689 20 0 CHADMP C[NH+](CCc1ccccc1Cl)CC[C@H]1CCCC[N@@H+]1C ZINC000441372174 1123082642 /nfs/dbraw/zinc/08/26/42/1123082642.db2.gz BNRRBIRBZBRMHK-MRXNPFEDSA-N 2 1 294.870 3.689 20 0 CHADMP C[NH+](CCc1ccccc1Cl)CC[C@H]1CCCC[N@H+]1C ZINC000441372174 1123082648 /nfs/dbraw/zinc/08/26/48/1123082648.db2.gz BNRRBIRBZBRMHK-MRXNPFEDSA-N 2 1 294.870 3.689 20 0 CHADMP Cc1cc(CNCCC[N@H+](C)C2CCCCC2)ccc1F ZINC000050545591 1123092010 /nfs/dbraw/zinc/09/20/10/1123092010.db2.gz ALMQVZNFRNYCBQ-UHFFFAOYSA-N 2 1 292.442 3.878 20 0 CHADMP Cc1cc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)ccc1F ZINC000050545591 1123092014 /nfs/dbraw/zinc/09/20/14/1123092014.db2.gz ALMQVZNFRNYCBQ-UHFFFAOYSA-N 2 1 292.442 3.878 20 0 CHADMP Cc1cc(C[NH2+]CCC[N@H+](C)C2CCCCC2)ccc1F ZINC000050545591 1123092018 /nfs/dbraw/zinc/09/20/18/1123092018.db2.gz ALMQVZNFRNYCBQ-UHFFFAOYSA-N 2 1 292.442 3.878 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)CC2CCCCC2)CC1 ZINC001201402002 1123093188 /nfs/dbraw/zinc/09/31/88/1123093188.db2.gz WSHFDHZCIHFAOG-UHFFFAOYSA-N 2 1 266.473 3.763 20 0 CHADMP C1=CC[C@H](C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC1 ZINC001201418798 1123097644 /nfs/dbraw/zinc/09/76/44/1123097644.db2.gz SERFPZQKIGPJJT-ZWKOTPCHSA-N 2 1 276.468 3.683 20 0 CHADMP CSc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205917498 1123102462 /nfs/dbraw/zinc/10/24/62/1123102462.db2.gz ZGUVRVFXHLRRFW-NEPJUHHUSA-N 2 1 298.883 3.621 20 0 CHADMP CSc1cccc(Cl)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205917498 1123102464 /nfs/dbraw/zinc/10/24/64/1123102464.db2.gz ZGUVRVFXHLRRFW-NEPJUHHUSA-N 2 1 298.883 3.621 20 0 CHADMP CC(C)C[NH+]1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001201467873 1123103423 /nfs/dbraw/zinc/10/34/23/1123103423.db2.gz ADZCPXSENPURAT-KRWDZBQOSA-N 2 1 290.451 3.612 20 0 CHADMP C[N@@H+](CC(C)(C)C)C1CC[NH+](C2CCCCC2)CC1 ZINC001201446579 1123106619 /nfs/dbraw/zinc/10/66/19/1123106619.db2.gz FWAFSIZOVWOTIF-UHFFFAOYSA-N 2 1 266.473 3.761 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001201490523 1123109320 /nfs/dbraw/zinc/10/93/20/1123109320.db2.gz MLSRBSULHNYFFM-KRWDZBQOSA-N 2 1 266.473 3.787 20 0 CHADMP C[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@@H](C)C1 ZINC001167996146 1123116937 /nfs/dbraw/zinc/11/69/37/1123116937.db2.gz XLADJYAQEXSJSH-ULHQQGCDSA-N 2 1 276.468 3.512 20 0 CHADMP C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@@H](C)C1 ZINC001167996146 1123116938 /nfs/dbraw/zinc/11/69/38/1123116938.db2.gz XLADJYAQEXSJSH-ULHQQGCDSA-N 2 1 276.468 3.512 20 0 CHADMP CCC(CC)C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001201523262 1123121351 /nfs/dbraw/zinc/12/13/51/1123121351.db2.gz GZIBHJUOPCPYAM-HOTGVXAUSA-N 2 1 292.492 3.548 20 0 CHADMP CCC(CC)C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001201523264 1123121516 /nfs/dbraw/zinc/12/15/16/1123121516.db2.gz GZIBHJUOPCPYAM-HZPDHXFCSA-N 2 1 292.492 3.548 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC001201557502 1123123623 /nfs/dbraw/zinc/12/36/23/1123123623.db2.gz KHNBAQJSPPJCMV-DLBZAZTESA-N 2 1 280.500 3.913 20 0 CHADMP CCCCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001201737578 1123143210 /nfs/dbraw/zinc/14/32/10/1123143210.db2.gz VQEMYFSOEJKNEJ-MOPGFXCFSA-N 2 1 286.463 3.631 20 0 CHADMP CCCCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201737578 1123143212 /nfs/dbraw/zinc/14/32/12/1123143212.db2.gz VQEMYFSOEJKNEJ-MOPGFXCFSA-N 2 1 286.463 3.631 20 0 CHADMP CCCCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201737578 1123143213 /nfs/dbraw/zinc/14/32/13/1123143213.db2.gz VQEMYFSOEJKNEJ-MOPGFXCFSA-N 2 1 286.463 3.631 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[NH+]1CCC([NH+]2CCC2)CC1 ZINC001201993988 1123168336 /nfs/dbraw/zinc/16/83/36/1123168336.db2.gz LMKRBENBUBCIRX-QGZVFWFLSA-N 2 1 278.484 3.929 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccccc2-c2ccccc2)CC1 ZINC000776258805 1123184423 /nfs/dbraw/zinc/18/44/23/1123184423.db2.gz VYJZQKRIQZBWOJ-UHFFFAOYSA-N 2 1 292.426 3.705 20 0 CHADMP CCc1cccc(Cl)c1CNC[C@@H]1CCC[N@H+](CC)C1 ZINC000474006049 1123204488 /nfs/dbraw/zinc/20/44/88/1123204488.db2.gz DIHRRTDCPMYXCL-AWEZNQCLSA-N 2 1 294.870 3.724 20 0 CHADMP CCc1cccc(Cl)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC)C1 ZINC000474006049 1123204491 /nfs/dbraw/zinc/20/44/91/1123204491.db2.gz DIHRRTDCPMYXCL-AWEZNQCLSA-N 2 1 294.870 3.724 20 0 CHADMP CCc1cccc(Cl)c1C[NH2+]C[C@@H]1CCC[N@H+](CC)C1 ZINC000474006049 1123204493 /nfs/dbraw/zinc/20/44/93/1123204493.db2.gz DIHRRTDCPMYXCL-AWEZNQCLSA-N 2 1 294.870 3.724 20 0 CHADMP FC(F)(F)CCC[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001202414496 1123204725 /nfs/dbraw/zinc/20/47/25/1123204725.db2.gz CBTDTMAQTCQSTH-CQSZACIVSA-N 2 1 292.389 3.669 20 0 CHADMP CCSc1ccccc1[C@@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665249497 1123263955 /nfs/dbraw/zinc/26/39/55/1123263955.db2.gz ROZHXQICRHGFCX-CYBMUJFWSA-N 2 1 278.465 3.721 20 0 CHADMP C[C@H]1CC[C@@](C)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1(C)C ZINC000850507121 1123277234 /nfs/dbraw/zinc/27/72/34/1123277234.db2.gz NOHSOHHYIXRDDM-DOEQRONASA-N 2 1 278.484 3.664 20 0 CHADMP Cc1cccc2c1CCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000850573658 1123294943 /nfs/dbraw/zinc/29/49/43/1123294943.db2.gz PCGJIGZQNXHYBK-IYHXRUFHSA-N 2 1 284.447 3.587 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCC(C(F)F)CC1 ZINC000442643950 1123331831 /nfs/dbraw/zinc/33/18/31/1123331831.db2.gz GZEKZPBQPOHGNF-NFOMZHRRSA-N 2 1 288.426 3.664 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000271863472 1129115428 /nfs/dbraw/zinc/11/54/28/1129115428.db2.gz KYUQOBPEMLGGCJ-OALUTQOASA-N 2 1 284.447 3.564 20 0 CHADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000271918396 1129116345 /nfs/dbraw/zinc/11/63/45/1129116345.db2.gz ZJRFZXYOGTUDPF-LBPRGKRZSA-N 2 1 298.352 3.618 20 0 CHADMP CC1=CCC[C@@H](C)[C@H]1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000443414159 1123394559 /nfs/dbraw/zinc/39/45/59/1123394559.db2.gz ONMAIYJULMBEEB-AEFFLSMTSA-N 2 1 278.484 3.783 20 0 CHADMP C[N@@H+](CCC[NH2+][C@@H]1CCC12CCCC2)Cc1ccccc1 ZINC000474046732 1123401078 /nfs/dbraw/zinc/40/10/78/1123401078.db2.gz SDXLACJPXFRCEP-GOSISDBHSA-N 2 1 286.463 3.821 20 0 CHADMP CC[C@@H](C[NH2+][C@H](C)C1CCC(F)(F)CC1)[NH+]1CCCC1 ZINC000474058984 1123406672 /nfs/dbraw/zinc/40/66/72/1123406672.db2.gz OKLPMLUSVUEAPC-HIFRSBDPSA-N 2 1 288.426 3.664 20 0 CHADMP C[N@@H+](CCCCCCC[NH3+])C[C@H]1CCc2ccccc21 ZINC000852760138 1123415164 /nfs/dbraw/zinc/41/51/64/1123415164.db2.gz BBQGMIFVDKULDR-QGZVFWFLSA-N 2 1 274.452 3.557 20 0 CHADMP C[C@@H]1CC[C@@H](C)C1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000776694870 1123456722 /nfs/dbraw/zinc/45/67/22/1123456722.db2.gz SAIOWEJMBSDCQC-HZPDHXFCSA-N 2 1 286.463 3.675 20 0 CHADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C/C(C)=C\c1ccccc1 ZINC000535801365 1123475684 /nfs/dbraw/zinc/47/56/84/1123475684.db2.gz JYBOJUZRHLPCQA-BLTVVPKDSA-N 2 1 284.447 3.649 20 0 CHADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C/C(C)=C\c1ccccc1 ZINC000535801365 1123475687 /nfs/dbraw/zinc/47/56/87/1123475687.db2.gz JYBOJUZRHLPCQA-BLTVVPKDSA-N 2 1 284.447 3.649 20 0 CHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C/C(C)=C\c1ccccc1 ZINC000535801365 1123475689 /nfs/dbraw/zinc/47/56/89/1123475689.db2.gz JYBOJUZRHLPCQA-BLTVVPKDSA-N 2 1 284.447 3.649 20 0 CHADMP CCC1([NH+]2CCC2)CC[NH+](Cc2ccsc2C)CC1 ZINC000895822537 1123518215 /nfs/dbraw/zinc/51/82/15/1123518215.db2.gz OBUSXEYFXKQOAX-UHFFFAOYSA-N 2 1 278.465 3.507 20 0 CHADMP COC1(C[C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)CCC1 ZINC000429523498 1123532194 /nfs/dbraw/zinc/53/21/94/1123532194.db2.gz SDOUTGQDZWSGOC-IAGOWNOFSA-N 2 1 296.499 3.578 20 0 CHADMP C[NH+](CCCC[N@H+](C)C1CCCC1)C1CCCC1 ZINC000157373957 1129127977 /nfs/dbraw/zinc/12/79/77/1129127977.db2.gz LPXOTMNKAIIPLL-UHFFFAOYSA-N 2 1 252.446 3.515 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000054077368 1123553080 /nfs/dbraw/zinc/55/30/80/1123553080.db2.gz QMKCPRAMCKPIKV-INIZCTEOSA-N 2 1 286.463 3.819 20 0 CHADMP C[C@@H]1CCC[C@H](CC[N@H+]2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000429531811 1123558026 /nfs/dbraw/zinc/55/80/26/1123558026.db2.gz WRDALCDVBXFXBG-BRWVUGGUSA-N 2 1 266.473 3.619 20 0 CHADMP CC(C)[N@H+](C)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039662 1123560125 /nfs/dbraw/zinc/56/01/25/1123560125.db2.gz GXGQPHQBRPZHQE-HOTGVXAUSA-N 2 1 274.452 3.768 20 0 CHADMP CC(C)[N@@H+](C)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039662 1123560126 /nfs/dbraw/zinc/56/01/26/1123560126.db2.gz GXGQPHQBRPZHQE-HOTGVXAUSA-N 2 1 274.452 3.768 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](C(C)C)C2)C1 ZINC000474628596 1123561883 /nfs/dbraw/zinc/56/18/83/1123561883.db2.gz LNTTWJVJZXVJFU-IXDOHACOSA-N 2 1 266.473 3.523 20 0 CHADMP c1ccc([C@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)cc1 ZINC000193462161 1123575241 /nfs/dbraw/zinc/57/52/41/1123575241.db2.gz CBNXOWWBZVAVMZ-GOSISDBHSA-N 2 1 272.436 3.700 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2sc3ccccc3c2C)C1 ZINC001205009249 1123644874 /nfs/dbraw/zinc/64/48/74/1123644874.db2.gz KPHNQLUZCGJMOE-CQSZACIVSA-N 2 1 288.460 3.641 20 0 CHADMP C[C@@H]1C[C@@H]([NH+]2CC3(CCC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168046494 1123647938 /nfs/dbraw/zinc/64/79/38/1123647938.db2.gz NJTKVLCWETZDOX-IZZQQSIFSA-N 2 1 298.474 3.914 20 0 CHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@@H](C)CCC[C@H]1C ZINC000346192239 1123671584 /nfs/dbraw/zinc/67/15/84/1123671584.db2.gz DSHWTSQGLJXZOB-LSDHHAIUSA-N 2 1 298.434 3.586 20 0 CHADMP Cc1nccn1CC[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000346270280 1123677288 /nfs/dbraw/zinc/67/72/88/1123677288.db2.gz CUZIKJMYYGZPJR-IBGZPJMESA-N 2 1 297.446 3.679 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)CC(C)(C)C ZINC000346306498 1123679861 /nfs/dbraw/zinc/67/98/61/1123679861.db2.gz FDUCFCHCQCYAIR-UHFFFAOYSA-N 2 1 285.435 3.740 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1)CC(C)(C)C ZINC000346306498 1123679863 /nfs/dbraw/zinc/67/98/63/1123679863.db2.gz FDUCFCHCQCYAIR-UHFFFAOYSA-N 2 1 285.435 3.740 20 0 CHADMP CC/C=C/CC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859211854 1123690533 /nfs/dbraw/zinc/69/05/33/1123690533.db2.gz BDWQHHMENOOMJH-VOTSOKGWSA-N 2 1 260.425 3.536 20 0 CHADMP CCC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)C1CCCCC1 ZINC000163274313 1129140458 /nfs/dbraw/zinc/14/04/58/1129140458.db2.gz MRCBNSFFUZABDW-NVXWUHKLSA-N 2 1 266.473 3.667 20 0 CHADMP C[N@@H+](Cc1ccc(-c2ccccc2)s1)C1CC[NH2+]CC1 ZINC000346992197 1123740934 /nfs/dbraw/zinc/74/09/34/1123740934.db2.gz ALYHHKJKPLMQPC-UHFFFAOYSA-N 2 1 286.444 3.599 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](CC(C)C)c2cccs2)C1 ZINC000163279572 1129143888 /nfs/dbraw/zinc/14/38/88/1129143888.db2.gz HXWZUZZBHDYOGB-CABCVRRESA-N 2 1 280.481 3.767 20 0 CHADMP Cc1cccc([C@H](C)[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000444220097 1123772864 /nfs/dbraw/zinc/77/28/64/1123772864.db2.gz ZEAMFYYTYBYMQG-ZWKOTPCHSA-N 2 1 286.463 3.864 20 0 CHADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000043388291 1123803823 /nfs/dbraw/zinc/80/38/23/1123803823.db2.gz HBTIIWCDKBSYKR-CYBMUJFWSA-N 2 1 298.833 3.833 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000043388291 1123803835 /nfs/dbraw/zinc/80/38/35/1123803835.db2.gz HBTIIWCDKBSYKR-CYBMUJFWSA-N 2 1 298.833 3.833 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429550115 1123833499 /nfs/dbraw/zinc/83/34/99/1123833499.db2.gz SVJUVMRHUXPFLI-INIZCTEOSA-N 2 1 280.843 3.565 20 0 CHADMP Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429550115 1123833504 /nfs/dbraw/zinc/83/35/04/1123833504.db2.gz SVJUVMRHUXPFLI-INIZCTEOSA-N 2 1 280.843 3.565 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(C)C)cc1 ZINC000159052895 1129158169 /nfs/dbraw/zinc/15/81/69/1129158169.db2.gz VUKLQPKWIGSGJM-UONOGXRCSA-N 2 1 271.408 3.876 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(C)oc2C)c1 ZINC000119880526 1123918484 /nfs/dbraw/zinc/91/84/84/1123918484.db2.gz XKTSJCDETBKFNW-UHFFFAOYSA-N 2 1 286.419 3.638 20 0 CHADMP Cc1cc[nH+]c(NCC2CC[NH+](CCC(C)C)CC2)c1 ZINC000301636692 1123919338 /nfs/dbraw/zinc/91/93/38/1123919338.db2.gz LBLOHYRWPVGZES-UHFFFAOYSA-N 2 1 275.440 3.560 20 0 CHADMP Cc1[nH]c2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2c1C ZINC000339071886 1123971258 /nfs/dbraw/zinc/97/12/58/1123971258.db2.gz UVWHKJUZRMXENV-DLBZAZTESA-N 2 1 297.446 3.501 20 0 CHADMP CC(C)C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccs1 ZINC000152448766 1124002454 /nfs/dbraw/zinc/00/24/54/1124002454.db2.gz FIDYKWLZLNOWFG-ZBFHGGJFSA-N 2 1 292.492 3.909 20 0 CHADMP C/C(=C\c1ccccc1)C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000105456612 1124011957 /nfs/dbraw/zinc/01/19/57/1124011957.db2.gz KLRWAUXIMCVACE-WPNIOXTASA-N 2 1 286.463 3.800 20 0 CHADMP Cc1cccc(C)c1-c1cccc(C[N@@H+]2CCC[NH2+]CC2)c1 ZINC001204685002 1124026414 /nfs/dbraw/zinc/02/64/14/1124026414.db2.gz RIGMIVRYRDUIRT-UHFFFAOYSA-N 2 1 294.442 3.766 20 0 CHADMP Cc1cccc(C)c1-c1cccc(C[N@H+]2CCC[NH2+]CC2)c1 ZINC001204685002 1124026418 /nfs/dbraw/zinc/02/64/18/1124026418.db2.gz RIGMIVRYRDUIRT-UHFFFAOYSA-N 2 1 294.442 3.766 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CC(CC)(CC)C(F)(F)F)[C@@H](C)C1 ZINC000866505670 1124074166 /nfs/dbraw/zinc/07/41/66/1124074166.db2.gz RJJNHPCMYFSCNZ-QWHCGFSZSA-N 2 1 294.405 3.675 20 0 CHADMP Cc1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(C)o1 ZINC000121222817 1124096000 /nfs/dbraw/zinc/09/60/00/1124096000.db2.gz GMSISJJHMHTAME-UHFFFAOYSA-N 2 1 290.451 3.783 20 0 CHADMP CC1CC(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000621384323 1129170594 /nfs/dbraw/zinc/17/05/94/1129170594.db2.gz BUYQRWOCKUMYEX-JZRYZNKLSA-N 2 1 286.463 3.675 20 0 CHADMP CC1CC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000621384323 1129170597 /nfs/dbraw/zinc/17/05/97/1129170597.db2.gz BUYQRWOCKUMYEX-JZRYZNKLSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000525694077 1124457794 /nfs/dbraw/zinc/45/77/94/1124457794.db2.gz LXOKJVAZKYQPBO-NCOADZHNSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+]C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000525694639 1124458335 /nfs/dbraw/zinc/45/83/35/1124458335.db2.gz DCEVRBFMCBCRDE-HYVNUMGLSA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)CCC[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000525870243 1124476890 /nfs/dbraw/zinc/47/68/90/1124476890.db2.gz SELUFZBZVXDIEV-IBGZPJMESA-N 2 1 288.479 3.577 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c(C)o1 ZINC000447541285 1124485098 /nfs/dbraw/zinc/48/50/98/1124485098.db2.gz GAQMCEHJNMGVOT-ZBFHGGJFSA-N 2 1 278.440 3.667 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c(C)o1 ZINC000447541285 1124485102 /nfs/dbraw/zinc/48/51/02/1124485102.db2.gz GAQMCEHJNMGVOT-ZBFHGGJFSA-N 2 1 278.440 3.667 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCc2occc21 ZINC000447536701 1124485330 /nfs/dbraw/zinc/48/53/30/1124485330.db2.gz PJWHLTRACGKFDH-RDJZCZTQSA-N 2 1 290.451 3.901 20 0 CHADMP CC1(C)C[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447580034 1124497127 /nfs/dbraw/zinc/49/71/27/1124497127.db2.gz MWBWTDDHNXAAKP-AKHDSKFASA-N 2 1 298.474 3.818 20 0 CHADMP CC[NH+]1CCC([N@H+](C)CC[C@@H](C)c2ccccc2)CC1 ZINC000447794923 1124527990 /nfs/dbraw/zinc/52/79/90/1124527990.db2.gz KXGCUOGPUCQHCN-MRXNPFEDSA-N 2 1 274.452 3.596 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)CC[C@@H](C)c2ccccc2)CC1 ZINC000447794923 1124527998 /nfs/dbraw/zinc/52/79/98/1124527998.db2.gz KXGCUOGPUCQHCN-MRXNPFEDSA-N 2 1 274.452 3.596 20 0 CHADMP C[C@@H](C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000447821846 1124529260 /nfs/dbraw/zinc/52/92/60/1124529260.db2.gz NPYZTXNKKLHDKE-ROUUACIJSA-N 2 1 288.479 3.892 20 0 CHADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449060069 1124640883 /nfs/dbraw/zinc/64/08/83/1124640883.db2.gz DNIJULHSSLBGMB-RHSMWYFYSA-N 2 1 292.854 3.660 20 0 CHADMP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000449083020 1124646579 /nfs/dbraw/zinc/64/65/79/1124646579.db2.gz RREOHVGDDBOFFD-ZTFGCOKTSA-N 2 1 298.430 3.580 20 0 CHADMP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000449083020 1124646582 /nfs/dbraw/zinc/64/65/82/1124646582.db2.gz RREOHVGDDBOFFD-ZTFGCOKTSA-N 2 1 298.430 3.580 20 0 CHADMP CCC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCC)C1)C1CCCC1 ZINC000449095469 1124650013 /nfs/dbraw/zinc/65/00/13/1124650013.db2.gz YQICEXRMRKSOFY-NVXWUHKLSA-N 2 1 266.473 3.667 20 0 CHADMP CC[C@@H](CCC(F)(F)F)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000872019642 1124657709 /nfs/dbraw/zinc/65/77/09/1124657709.db2.gz XXAKKWNDHDQTHU-LBPRGKRZSA-N 2 1 280.378 3.572 20 0 CHADMP C[N@@H+](CCCCCC[NH3+])Cc1ccc(C(F)(F)F)s1 ZINC000873231802 1124752465 /nfs/dbraw/zinc/75/24/65/1124752465.db2.gz VUYNCPYRTXFCRT-UHFFFAOYSA-N 2 1 294.386 3.718 20 0 CHADMP CC/C=C\C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000449463402 1124757868 /nfs/dbraw/zinc/75/78/68/1124757868.db2.gz WWHVNXLCWDPOAN-GXMNPTEKSA-N 2 1 269.392 3.798 20 0 CHADMP CC(C)CC[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000449560661 1124803388 /nfs/dbraw/zinc/80/33/88/1124803388.db2.gz OEHCJLXTWRMJEN-VQTPCSAVSA-N 2 1 278.484 3.806 20 0 CHADMP C[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000449691976 1124840559 /nfs/dbraw/zinc/84/05/59/1124840559.db2.gz ZHXAHCBAQXROEA-HKUYNNGSSA-N 2 1 286.463 3.644 20 0 CHADMP CC[C@@H]1CC[C@H](C)[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000449722784 1124849878 /nfs/dbraw/zinc/84/98/78/1124849878.db2.gz QGGKWYKNEKBWHU-GOEBONIOSA-N 2 1 298.434 3.586 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C2CC2)cc1 ZINC000449742872 1124857885 /nfs/dbraw/zinc/85/78/85/1124857885.db2.gz RUSNQIJLVJINIZ-IXDGSTSKSA-N 2 1 295.430 3.877 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H](C)CC(C)(C)C)[C@@H](C)C1 ZINC000443197550 1124907279 /nfs/dbraw/zinc/90/72/79/1124907279.db2.gz XOPPEOOXWFLTJX-JYJNAYRXSA-N 2 1 268.489 3.769 20 0 CHADMP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C1CC(F)(F)C1 ZINC000529530939 1124981545 /nfs/dbraw/zinc/98/15/45/1124981545.db2.gz JRSFVQMEHYYFRJ-CHWSQXEVSA-N 2 1 288.426 3.520 20 0 CHADMP C[C@@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1)C1CC(F)(F)C1 ZINC000529530939 1124981550 /nfs/dbraw/zinc/98/15/50/1124981550.db2.gz JRSFVQMEHYYFRJ-CHWSQXEVSA-N 2 1 288.426 3.520 20 0 CHADMP C[C@H]([NH2+]CC1=CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000450728903 1125093827 /nfs/dbraw/zinc/09/38/27/1125093827.db2.gz QKDNWOSFOFTASX-RDJZCZTQSA-N 2 1 276.468 3.729 20 0 CHADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CC3=CCCCC3)C1)CCCC2 ZINC000450786346 1125103997 /nfs/dbraw/zinc/10/39/97/1125103997.db2.gz PSCSWGUBEDUTED-KRWDZBQOSA-N 2 1 299.462 3.818 20 0 CHADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CC3=CCCCC3)C1)CCCC2 ZINC000450786346 1125103999 /nfs/dbraw/zinc/10/39/99/1125103999.db2.gz PSCSWGUBEDUTED-KRWDZBQOSA-N 2 1 299.462 3.818 20 0 CHADMP CCC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000121409818 1125119173 /nfs/dbraw/zinc/11/91/73/1125119173.db2.gz FCBUEUBSCAEHPY-YJBOKZPZSA-N 2 1 285.435 3.959 20 0 CHADMP CCCC[C@H](CC(C)C)[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001246112142 1131333682 /nfs/dbraw/zinc/33/36/82/1131333682.db2.gz LGXHCOXAYAXYND-CVEARBPZSA-N 2 1 272.452 3.663 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+]CC2CCC(C(C)(C)C)CC2)CC1 ZINC000392239905 1125141287 /nfs/dbraw/zinc/14/12/87/1125141287.db2.gz JGPCHXHLZYZBJC-UHFFFAOYSA-N 2 1 278.484 3.690 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCOC2CCCCCC2)C[C@@H]1C ZINC000531140149 1125197374 /nfs/dbraw/zinc/19/73/74/1125197374.db2.gz AVDJADTUWGOCFR-IRXDYDNUSA-N 2 1 296.499 3.530 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCOC2CCCCCC2)C[C@@H]1C ZINC000531140149 1125197378 /nfs/dbraw/zinc/19/73/78/1125197378.db2.gz AVDJADTUWGOCFR-IRXDYDNUSA-N 2 1 296.499 3.530 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOC2CCCCCC2)C[C@@H]1C ZINC000531140149 1125197379 /nfs/dbraw/zinc/19/73/79/1125197379.db2.gz AVDJADTUWGOCFR-IRXDYDNUSA-N 2 1 296.499 3.530 20 0 CHADMP CC[N@H+]1CC[C@H](N(C)C/C=C/c2ccccc2)C[C@@H]1C ZINC000531381982 1125213778 /nfs/dbraw/zinc/21/37/78/1125213778.db2.gz QVAVCBJWJMQQIU-FRGBQATDSA-N 2 1 272.436 3.504 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)C/C=C/c2ccccc2)C[C@@H]1C ZINC000531381982 1125213781 /nfs/dbraw/zinc/21/37/81/1125213781.db2.gz QVAVCBJWJMQQIU-FRGBQATDSA-N 2 1 272.436 3.504 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C/C=C/c2ccccc2)C[C@@H]1C ZINC000531381982 1125213785 /nfs/dbraw/zinc/21/37/85/1125213785.db2.gz QVAVCBJWJMQQIU-FRGBQATDSA-N 2 1 272.436 3.504 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)ccc2C)C[C@H]1C ZINC000531378970 1125214381 /nfs/dbraw/zinc/21/43/81/1125214381.db2.gz CROAVKRRINJCPM-SJLPKXTDSA-N 2 1 274.452 3.608 20 0 CHADMP C[C@@H]1C[C@H](Nc2ccc([NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000127886122 1125223301 /nfs/dbraw/zinc/22/33/01/1125223301.db2.gz VUPVNEVZNGEAOI-NVXWUHKLSA-N 2 1 287.451 3.572 20 0 CHADMP C[C@@H]1C[C@H](Nc2ccc([NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000127886122 1125223307 /nfs/dbraw/zinc/22/33/07/1125223307.db2.gz VUPVNEVZNGEAOI-NVXWUHKLSA-N 2 1 287.451 3.572 20 0 CHADMP CC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000532192819 1125238657 /nfs/dbraw/zinc/23/86/57/1125238657.db2.gz UHZJLRDGEPLJGZ-HZPDHXFCSA-N 2 1 274.452 3.949 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCC1CCCCC1 ZINC000532195355 1125240069 /nfs/dbraw/zinc/24/00/69/1125240069.db2.gz FFDRREHIQNHSQJ-VYDXJSESSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1ccc([C@H]2CC[N@H+](CCc3cncn3C)C2(C)C)cc1 ZINC000880288326 1125261734 /nfs/dbraw/zinc/26/17/34/1125261734.db2.gz YSBQRIVCYSOYDY-GOSISDBHSA-N 2 1 297.446 3.539 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@@H]1C ZINC000321947462 1125335009 /nfs/dbraw/zinc/33/50/09/1125335009.db2.gz WEXKFINNXZLEHZ-KANFNMMFSA-N 2 1 286.463 3.533 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C(C2CCCC2)C2CCCC2)CC[N@@H+]1C ZINC000129860908 1125352834 /nfs/dbraw/zinc/35/28/34/1125352834.db2.gz RNWVVXOLCZPJAK-PBHICJAKSA-N 2 1 278.484 3.808 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C(C2CCCC2)C2CCCC2)CC[N@H+]1C ZINC000129860908 1125352836 /nfs/dbraw/zinc/35/28/36/1125352836.db2.gz RNWVVXOLCZPJAK-PBHICJAKSA-N 2 1 278.484 3.808 20 0 CHADMP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000179119795 1125379075 /nfs/dbraw/zinc/37/90/75/1125379075.db2.gz MROFYXWLIGOUQW-CQSZACIVSA-N 2 1 297.874 3.898 20 0 CHADMP C[C@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000309686796 1125379961 /nfs/dbraw/zinc/37/99/61/1125379961.db2.gz BWKFLLFNWCHLHN-SJLPKXTDSA-N 2 1 288.479 3.780 20 0 CHADMP CCSc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883236351 1125382204 /nfs/dbraw/zinc/38/22/04/1125382204.db2.gz ZQCOVWOABLSBPS-CVEARBPZSA-N 2 1 290.476 3.515 20 0 CHADMP CC[N@H+](C)C1CC[NH+]([C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC001168194348 1125383482 /nfs/dbraw/zinc/38/34/82/1125383482.db2.gz WFAJVNLVKZIHDE-CQSZACIVSA-N 2 1 294.870 3.687 20 0 CHADMP CC[N@@H+](C)C1CC[NH+]([C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC001168194348 1125383488 /nfs/dbraw/zinc/38/34/88/1125383488.db2.gz WFAJVNLVKZIHDE-CQSZACIVSA-N 2 1 294.870 3.687 20 0 CHADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc(C)c1F ZINC000532447679 1125388272 /nfs/dbraw/zinc/38/82/72/1125388272.db2.gz RXCRPEWBZFVUSN-USXIJHARSA-N 2 1 290.426 3.720 20 0 CHADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc(C)c1F ZINC000532447679 1125388273 /nfs/dbraw/zinc/38/82/73/1125388273.db2.gz RXCRPEWBZFVUSN-USXIJHARSA-N 2 1 290.426 3.720 20 0 CHADMP Cc1cc(C)c([C@H](C)[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(C)c1 ZINC000227184491 1125391733 /nfs/dbraw/zinc/39/17/33/1125391733.db2.gz UNNNEIUBKJTPBX-YESZJQIVSA-N 2 1 274.452 3.732 20 0 CHADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1F ZINC000532503971 1125407781 /nfs/dbraw/zinc/40/77/81/1125407781.db2.gz WPEBLQTUWPDEEC-CJNGLKHVSA-N 2 1 280.431 3.843 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000125420227 1125449229 /nfs/dbraw/zinc/44/92/29/1125449229.db2.gz VBABBRJWEXUCPF-GOSISDBHSA-N 2 1 283.419 3.809 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000125420227 1125449231 /nfs/dbraw/zinc/44/92/31/1125449231.db2.gz VBABBRJWEXUCPF-GOSISDBHSA-N 2 1 283.419 3.809 20 0 CHADMP c1ccc([C@H]2C[C@H]([NH2+]C3CCCC3)CC[N@H+]2C2CC2)cc1 ZINC000638287286 1129252563 /nfs/dbraw/zinc/25/25/63/1129252563.db2.gz WBPGVRDMRGVALO-IEBWSBKVSA-N 2 1 284.447 3.887 20 0 CHADMP c1ccc([C@H]2C[C@H]([NH2+]C3CCCC3)CC[N@@H+]2C2CC2)cc1 ZINC000638287286 1129252565 /nfs/dbraw/zinc/25/25/65/1129252565.db2.gz WBPGVRDMRGVALO-IEBWSBKVSA-N 2 1 284.447 3.887 20 0 CHADMP CC1=C(C)C[C@H]([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000638321326 1129253943 /nfs/dbraw/zinc/25/39/43/1129253943.db2.gz LNBFWIQRMACAQB-HZPDHXFCSA-N 2 1 276.468 3.728 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CS[C@H](C)C2)c1 ZINC000638434734 1129259009 /nfs/dbraw/zinc/25/90/09/1129259009.db2.gz PNXRKIOJZQTWJW-PBHICJAKSA-N 2 1 292.492 3.510 20 0 CHADMP CC1=C(C)C[C@H]([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000638706569 1129266788 /nfs/dbraw/zinc/26/67/88/1129266788.db2.gz GOPZNUWZGRGCRT-TWMKSMIVSA-N 2 1 264.457 3.584 20 0 CHADMP CC1=C(C)C[C@H]([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000638706569 1129266789 /nfs/dbraw/zinc/26/67/89/1129266789.db2.gz GOPZNUWZGRGCRT-TWMKSMIVSA-N 2 1 264.457 3.584 20 0 CHADMP C1=CCC([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638760989 1129269924 /nfs/dbraw/zinc/26/99/24/1129269924.db2.gz VBXOCDPBIIABCY-HKUYNNGSSA-N 2 1 282.431 3.663 20 0 CHADMP C1=CCC([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638760989 1129269926 /nfs/dbraw/zinc/26/99/26/1129269926.db2.gz VBXOCDPBIIABCY-HKUYNNGSSA-N 2 1 282.431 3.663 20 0 CHADMP CCC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(F)cc1 ZINC000348070248 1129276802 /nfs/dbraw/zinc/27/68/02/1129276802.db2.gz IUQORSYIYMACHS-QGZVFWFLSA-N 2 1 278.415 3.522 20 0 CHADMP CCC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccc(F)cc1 ZINC000348070248 1129276803 /nfs/dbraw/zinc/27/68/03/1129276803.db2.gz IUQORSYIYMACHS-QGZVFWFLSA-N 2 1 278.415 3.522 20 0 CHADMP CCC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccc(F)cc1 ZINC000348070248 1129276805 /nfs/dbraw/zinc/27/68/05/1129276805.db2.gz IUQORSYIYMACHS-QGZVFWFLSA-N 2 1 278.415 3.522 20 0 CHADMP Cc1nccn1CCCC[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000348080597 1129277355 /nfs/dbraw/zinc/27/73/55/1129277355.db2.gz RADLTZQWXFVACO-GOSISDBHSA-N 2 1 297.446 3.770 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000348080597 1129277356 /nfs/dbraw/zinc/27/73/56/1129277356.db2.gz RADLTZQWXFVACO-GOSISDBHSA-N 2 1 297.446 3.770 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000348080597 1129277359 /nfs/dbraw/zinc/27/73/59/1129277359.db2.gz RADLTZQWXFVACO-GOSISDBHSA-N 2 1 297.446 3.770 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000639169617 1129288016 /nfs/dbraw/zinc/28/80/16/1129288016.db2.gz HNBAIEGKSPSBSN-LVQVYYBASA-N 2 1 292.492 3.560 20 0 CHADMP C1=CCC(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639347156 1129304635 /nfs/dbraw/zinc/30/46/35/1129304635.db2.gz YLDOWJATWZDDRD-QUCCMNQESA-N 2 1 296.458 3.910 20 0 CHADMP C1=CCC(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639347156 1129304639 /nfs/dbraw/zinc/30/46/39/1129304639.db2.gz YLDOWJATWZDDRD-QUCCMNQESA-N 2 1 296.458 3.910 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CSC(C)(C)C)C1 ZINC000247130016 1129355356 /nfs/dbraw/zinc/35/53/56/1129355356.db2.gz VKPFGLUHCRMCTH-CABCVRRESA-N 2 1 286.529 3.617 20 0 CHADMP CC[NH2+]CCC[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000643499053 1129443117 /nfs/dbraw/zinc/44/31/17/1129443117.db2.gz PLLRQBJZRGJJKQ-CYBMUJFWSA-N 2 1 287.234 3.570 20 0 CHADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(-c2c(F)cccc2F)cc1 ZINC000643527635 1129444567 /nfs/dbraw/zinc/44/45/67/1129444567.db2.gz PWDLDQSWPWKBDT-NWDGAFQWSA-N 2 1 290.357 3.630 20 0 CHADMP C[N@@H+]1CCC[C@H](C[NH2+]C2CCCC2)[C@H]1c1cccs1 ZINC000742373148 1129475417 /nfs/dbraw/zinc/47/54/17/1129475417.db2.gz PXHZDSMKCDAIIM-CJNGLKHVSA-N 2 1 278.465 3.663 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCCC2)[C@H]1c1cccs1 ZINC000742373148 1129475419 /nfs/dbraw/zinc/47/54/19/1129475419.db2.gz PXHZDSMKCDAIIM-CJNGLKHVSA-N 2 1 278.465 3.663 20 0 CHADMP Cc1cccc(C2([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)c1 ZINC000647236863 1129560069 /nfs/dbraw/zinc/56/00/69/1129560069.db2.gz PHGSTFILFCBIST-MSOLQXFVSA-N 2 1 284.447 3.591 20 0 CHADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]C1CCC(F)(F)CC1 ZINC000647284442 1129564022 /nfs/dbraw/zinc/56/40/22/1129564022.db2.gz QNGYCNXERDEKRV-MGPQQGTHSA-N 2 1 288.426 3.520 20 0 CHADMP C[C@@]1(c2ccccc2)CC[C@@H]([N@@H+](C2CC2)C2CC[NH2+]CC2)C1 ZINC000647482637 1129578665 /nfs/dbraw/zinc/57/86/65/1129578665.db2.gz VFYVAOYRHRJQIG-WOJBJXKFSA-N 2 1 298.474 3.713 20 0 CHADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000647874254 1129586709 /nfs/dbraw/zinc/58/67/09/1129586709.db2.gz MDXSYOOQXSAKSW-CQSZACIVSA-N 2 1 278.415 3.598 20 0 CHADMP c1cc([C@@H]2CCC[N@@H+]2CCCC2CC[NH2+]CC2)cs1 ZINC000647875509 1129586770 /nfs/dbraw/zinc/58/67/70/1129586770.db2.gz FKFLECAIWXMCID-INIZCTEOSA-N 2 1 278.465 3.665 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000379639913 1129592893 /nfs/dbraw/zinc/59/28/93/1129592893.db2.gz WHVDVCULAZOBRU-KCITZHQASA-N 2 1 286.463 3.818 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000379639913 1129592895 /nfs/dbraw/zinc/59/28/95/1129592895.db2.gz WHVDVCULAZOBRU-KCITZHQASA-N 2 1 286.463 3.818 20 0 CHADMP C[C@@H](C[N@H+]1CCC[C@@H](Cc2nccn2C)C1)CC(C)(C)C ZINC001168848827 1129679419 /nfs/dbraw/zinc/67/94/19/1129679419.db2.gz RJKQKUJWDGPMQC-CVEARBPZSA-N 2 1 291.483 3.747 20 0 CHADMP CC(C)C[C@@H](Cc1ccccc1)n1cc[nH+]c1CCC[NH3+] ZINC001169069590 1129695786 /nfs/dbraw/zinc/69/57/86/1129695786.db2.gz IMUHRJWAQUJVLJ-KRWDZBQOSA-N 2 1 285.435 3.604 20 0 CHADMP CC(C)[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001169098615 1129696126 /nfs/dbraw/zinc/69/61/26/1129696126.db2.gz JUKGSLQGCCQLDH-XMTFNYHQSA-N 2 1 272.436 3.599 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccs1 ZINC001169096073 1129696959 /nfs/dbraw/zinc/69/69/59/1129696959.db2.gz UJPJZIHJCKCRPY-XQLPTFJDSA-N 2 1 278.465 3.804 20 0 CHADMP CC(C)[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC001169100727 1129697130 /nfs/dbraw/zinc/69/71/30/1129697130.db2.gz MAMULAUWASPGRH-XMTFNYHQSA-N 2 1 290.426 3.738 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1ccccc1)C(C)(C)C)C2 ZINC001169091436 1129700439 /nfs/dbraw/zinc/70/04/39/1129700439.db2.gz QZRFTRJSEVQFEP-XMTFNYHQSA-N 2 1 286.463 3.989 20 0 CHADMP CC(C)[N@H+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169122565 1129700461 /nfs/dbraw/zinc/70/04/61/1129700461.db2.gz ALSKNOUGKKGWMH-PIIMJCKOSA-N 2 1 272.436 3.522 20 0 CHADMP CC(C)[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169122565 1129700462 /nfs/dbraw/zinc/70/04/62/1129700462.db2.gz ALSKNOUGKKGWMH-PIIMJCKOSA-N 2 1 272.436 3.522 20 0 CHADMP CC(C)[NH+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169122565 1129700464 /nfs/dbraw/zinc/70/04/64/1129700464.db2.gz ALSKNOUGKKGWMH-PIIMJCKOSA-N 2 1 272.436 3.522 20 0 CHADMP CC(C)[NH+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169122565 1129700466 /nfs/dbraw/zinc/70/04/66/1129700466.db2.gz ALSKNOUGKKGWMH-PIIMJCKOSA-N 2 1 272.436 3.522 20 0 CHADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)c(F)c1 ZINC001169119101 1129700806 /nfs/dbraw/zinc/70/08/06/1129700806.db2.gz QMYCEIDMQXWSRU-UMPJEAMMSA-N 2 1 294.389 3.631 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1c1ccc(F)cc1)C2 ZINC001169127003 1129701367 /nfs/dbraw/zinc/70/13/67/1129701367.db2.gz ZHSIOQAQXRBFQM-VSZNYVQBSA-N 2 1 288.410 3.588 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]1c1ccc(F)cc1)C2 ZINC001169127003 1129701368 /nfs/dbraw/zinc/70/13/68/1129701368.db2.gz ZHSIOQAQXRBFQM-VSZNYVQBSA-N 2 1 288.410 3.588 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]1c1ccc(F)cc1)C2 ZINC001169127003 1129701371 /nfs/dbraw/zinc/70/13/71/1129701371.db2.gz ZHSIOQAQXRBFQM-VSZNYVQBSA-N 2 1 288.410 3.588 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H]1c1ccc(F)cc1)C2 ZINC001169127001 1129701464 /nfs/dbraw/zinc/70/14/64/1129701464.db2.gz ZHSIOQAQXRBFQM-MHORFTMASA-N 2 1 288.410 3.588 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H]1c1ccc(F)cc1)C2 ZINC001169127001 1129701466 /nfs/dbraw/zinc/70/14/66/1129701466.db2.gz ZHSIOQAQXRBFQM-MHORFTMASA-N 2 1 288.410 3.588 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@H]1c1ccc(F)cc1)C2 ZINC001169127001 1129701467 /nfs/dbraw/zinc/70/14/67/1129701467.db2.gz ZHSIOQAQXRBFQM-MHORFTMASA-N 2 1 288.410 3.588 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC[C@@H]1c1ccccc1)C2 ZINC001169126989 1129701807 /nfs/dbraw/zinc/70/18/07/1129701807.db2.gz ZADHYUNSGHMKMF-FCGDIQPGSA-N 2 1 284.447 3.839 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCC[C@@H]1c1ccccc1)C2 ZINC001169126989 1129701811 /nfs/dbraw/zinc/70/18/11/1129701811.db2.gz ZADHYUNSGHMKMF-FCGDIQPGSA-N 2 1 284.447 3.839 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCC[C@@H]1c1ccccc1)C2 ZINC001169126989 1129701814 /nfs/dbraw/zinc/70/18/14/1129701814.db2.gz ZADHYUNSGHMKMF-FCGDIQPGSA-N 2 1 284.447 3.839 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(c3cccs3)CC1)C2 ZINC001169139258 1129702664 /nfs/dbraw/zinc/70/26/64/1129702664.db2.gz ACGAGXYNTHHLDP-ZSHCYNCHSA-N 2 1 290.476 3.553 20 0 CHADMP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169109181 1129703038 /nfs/dbraw/zinc/70/30/38/1129703038.db2.gz ZURQRURSHZPYQE-DDBAPUKQSA-N 2 1 272.436 3.579 20 0 CHADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1C ZINC001169107135 1129703709 /nfs/dbraw/zinc/70/37/09/1129703709.db2.gz DVGFSTOZMMQQAH-KYHPRHEASA-N 2 1 272.436 3.661 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H]1C1CCCCC1)C2 ZINC001169153665 1129705652 /nfs/dbraw/zinc/70/56/52/1129705652.db2.gz KXKUQOPECWEXQY-XMTFNYHQSA-N 2 1 276.468 3.656 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H]1C1CCCCC1)C2 ZINC001169153665 1129705654 /nfs/dbraw/zinc/70/56/54/1129705654.db2.gz KXKUQOPECWEXQY-XMTFNYHQSA-N 2 1 276.468 3.656 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H]1C1CCCCC1)C2 ZINC001169153665 1129705657 /nfs/dbraw/zinc/70/56/57/1129705657.db2.gz KXKUQOPECWEXQY-XMTFNYHQSA-N 2 1 276.468 3.656 20 0 CHADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC001169265125 1129711117 /nfs/dbraw/zinc/71/11/17/1129711117.db2.gz NDGBZYLMZNYWHK-GOSISDBHSA-N 2 1 286.463 3.740 20 0 CHADMP CC[NH+]1CCC([N@H+]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC001169265125 1129711121 /nfs/dbraw/zinc/71/11/21/1129711121.db2.gz NDGBZYLMZNYWHK-GOSISDBHSA-N 2 1 286.463 3.740 20 0 CHADMP CC[NH+]1CCC([N@H+](Cc2ccccc2)C2CCC2)CC1 ZINC001169263555 1129711133 /nfs/dbraw/zinc/71/11/33/1129711133.db2.gz BDXAXSNDPVRTCH-UHFFFAOYSA-N 2 1 272.436 3.525 20 0 CHADMP CC[NH+]1CCC([N@@H+](Cc2ccccc2)C2CCC2)CC1 ZINC001169263555 1129711138 /nfs/dbraw/zinc/71/11/38/1129711138.db2.gz BDXAXSNDPVRTCH-UHFFFAOYSA-N 2 1 272.436 3.525 20 0 CHADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1cccc(C)c1C ZINC001169241969 1129712649 /nfs/dbraw/zinc/71/26/49/1129712649.db2.gz VTSOLASSXQYPMC-GOSISDBHSA-N 2 1 274.452 3.828 20 0 CHADMP CC[NH+]1CCC([NH+]2CCC3(C=Cc4ccccc43)CC2)CC1 ZINC001169250645 1129712992 /nfs/dbraw/zinc/71/29/92/1129712992.db2.gz QSFNKXUFVDTWRF-UHFFFAOYSA-N 2 1 296.458 3.531 20 0 CHADMP CC[C@@H]([NH2+]Cc1cccc2ccsc21)[C@@H]1CCC[NH2+]1 ZINC000650740886 1129721028 /nfs/dbraw/zinc/72/10/28/1129721028.db2.gz TYCLYERREKQDQT-CABCVRRESA-N 2 1 274.433 3.522 20 0 CHADMP CC(C)c1ccccc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206014036 1129743531 /nfs/dbraw/zinc/74/35/31/1129743531.db2.gz VLENQTYBAPNHOU-JKSUJKDBSA-N 2 1 274.452 3.617 20 0 CHADMP Cc1ccccc1C1([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000651975089 1129754728 /nfs/dbraw/zinc/75/47/28/1129754728.db2.gz ZIWAYNZHOYFWTE-DLBZAZTESA-N 2 1 284.447 3.591 20 0 CHADMP CC(C)C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(F)cc1 ZINC000652173264 1129759153 /nfs/dbraw/zinc/75/91/53/1129759153.db2.gz CFDWRNVBJFUEGL-GOSISDBHSA-N 2 1 290.426 3.764 20 0 CHADMP CCCCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000653279543 1129779142 /nfs/dbraw/zinc/77/91/42/1129779142.db2.gz NASYXRWIXFAWHC-DOTOQJQBSA-N 2 1 290.451 3.567 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCC(C)(C)CC2)C1 ZINC000086906402 1129818794 /nfs/dbraw/zinc/81/87/94/1129818794.db2.gz SJCZIOIATQCFKV-JKSUJKDBSA-N 2 1 266.473 3.665 20 0 CHADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCCCC1 ZINC000381644181 1129843301 /nfs/dbraw/zinc/84/33/01/1129843301.db2.gz ZRPFPESOHRGIEP-IRXDYDNUSA-N 2 1 264.457 3.563 20 0 CHADMP C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000381983704 1129853936 /nfs/dbraw/zinc/85/39/36/1129853936.db2.gz NNJBOAXRXVCXEJ-NZSAHSFTSA-N 2 1 286.463 3.677 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cncc3ccccc32)C[C@@H]1C ZINC000769470319 1129912617 /nfs/dbraw/zinc/91/26/17/1129912617.db2.gz LJYVDOYWCSOSLL-YJBOKZPZSA-N 2 1 297.446 3.539 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cncc3ccccc32)C[C@@H]1C ZINC000769470319 1129912618 /nfs/dbraw/zinc/91/26/18/1129912618.db2.gz LJYVDOYWCSOSLL-YJBOKZPZSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cncc3ccccc32)C[C@@H]1C ZINC000769470319 1129912621 /nfs/dbraw/zinc/91/26/21/1129912621.db2.gz LJYVDOYWCSOSLL-YJBOKZPZSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cncc3ccccc32)C[C@@H]1C ZINC000769470319 1129912623 /nfs/dbraw/zinc/91/26/23/1129912623.db2.gz LJYVDOYWCSOSLL-YJBOKZPZSA-N 2 1 297.446 3.539 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)(C)C)s2)[C@@H](C)C1 ZINC000769929145 1129933543 /nfs/dbraw/zinc/93/35/43/1129933543.db2.gz VTYVGKNDXJWWEO-ZFWWWQNUSA-N 2 1 294.508 3.866 20 0 CHADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CCCC1 ZINC000903186649 1130125845 /nfs/dbraw/zinc/12/58/45/1130125845.db2.gz MZJQABUDJBIUQA-NXCDMZCRSA-N 2 1 276.468 3.703 20 0 CHADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Cl)cc3ccccc32)C1 ZINC000903447625 1130178440 /nfs/dbraw/zinc/17/84/40/1130178440.db2.gz ZZFFHKZQVQWAAZ-JSGCOSHPSA-N 2 1 288.822 3.662 20 0 CHADMP C[C@H](C1CC1)[N@H+](Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC000788475696 1130189040 /nfs/dbraw/zinc/18/90/40/1130189040.db2.gz RNLIZJRHOOLAQU-MRXNPFEDSA-N 2 1 286.463 3.629 20 0 CHADMP CC(C)CCC[C@H](C)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001170088572 1130203961 /nfs/dbraw/zinc/20/39/61/1130203961.db2.gz VTQWEHYXPHJRMJ-HNNXBMFYSA-N 2 1 266.473 3.760 20 0 CHADMP CCCC[N@@H+](C[C@@H]([NH3+])CC(F)F)[C@@H](C)c1ccccc1 ZINC000903894664 1130208107 /nfs/dbraw/zinc/20/81/07/1130208107.db2.gz BDMQELZYLSTZAQ-ZFWWWQNUSA-N 2 1 284.394 3.832 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)CC1CCC(C)(C)CC1 ZINC001462202100 1130227891 /nfs/dbraw/zinc/22/78/91/1130227891.db2.gz QKKVOZUZEDDTMR-UHFFFAOYSA-N 2 1 268.489 3.867 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206572568 1130241423 /nfs/dbraw/zinc/24/14/23/1130241423.db2.gz CTLPZVYAWOJCBZ-KRWDZBQOSA-N 2 1 294.870 3.908 20 0 CHADMP C[N@H+]1CCC[C@H]([NH2+]CCCCCCCCCCC[NH3+])CC1 ZINC001254507392 1130257838 /nfs/dbraw/zinc/25/78/38/1130257838.db2.gz BDXHEOHUVDPPSQ-SFHVURJKSA-N 3 1 297.531 3.530 20 0 CHADMP CN1CCC[C@H]([NH2+]CCCCCCCCCCC[NH3+])CC1 ZINC001254507392 1130257839 /nfs/dbraw/zinc/25/78/39/1130257839.db2.gz BDXHEOHUVDPPSQ-SFHVURJKSA-N 2 1 297.531 3.530 20 0 CHADMP CCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000677237857 1130297549 /nfs/dbraw/zinc/29/75/49/1130297549.db2.gz OBXKYQASPOYBDR-BZSNNMDCSA-N 2 1 278.484 3.952 20 0 CHADMP c1ccc2cc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)ccc2c1 ZINC000677237658 1130297612 /nfs/dbraw/zinc/29/76/12/1130297612.db2.gz MNCUIKFSQDPNGH-VQTJNVASSA-N 2 1 294.442 3.599 20 0 CHADMP C[C@@H]1CC[C@H]([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)C1 ZINC001170145371 1130334126 /nfs/dbraw/zinc/33/41/26/1130334126.db2.gz UKCRUKIVNLHSCN-ZACQAIPSSA-N 2 1 264.457 3.515 20 0 CHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc3ccccc3[nH]2)CC1 ZINC001137319381 1130341587 /nfs/dbraw/zinc/34/15/87/1130341587.db2.gz ZNVLZPYNYXXOAP-UHFFFAOYSA-N 2 1 299.462 3.720 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1c2ccccc2CC[C@H]1C ZINC000678771487 1130451635 /nfs/dbraw/zinc/45/16/35/1130451635.db2.gz VXYCWTXWOCRYNN-BEFAXECRSA-N 2 1 297.446 3.885 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000678887055 1130468250 /nfs/dbraw/zinc/46/82/50/1130468250.db2.gz UYMQQBNTOHJAAU-DNVCBOLYSA-N 2 1 297.446 3.959 20 0 CHADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000679627754 1130546927 /nfs/dbraw/zinc/54/69/27/1130546927.db2.gz WGVDMRTVJRYRSJ-GJYPPUQNSA-N 2 1 286.463 3.533 20 0 CHADMP CCC[C@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000679992561 1130567594 /nfs/dbraw/zinc/56/75/94/1130567594.db2.gz JSGDULVBUJPTCI-HNNXBMFYSA-N 2 1 292.442 3.611 20 0 CHADMP CC(C)=CCCC1=CC[C@H](C[N@H+]2CCC3(C[NH2+]C3)C2)CC1 ZINC001235024488 1130702389 /nfs/dbraw/zinc/70/23/89/1130702389.db2.gz MLLDQPGYXSPAQX-SFHVURJKSA-N 2 1 288.479 3.755 20 0 CHADMP c1csc(-c2ccccc2C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC001235031770 1130703644 /nfs/dbraw/zinc/70/36/44/1130703644.db2.gz GUGJXHGOLUIAOO-SFHVURJKSA-N 2 1 298.455 3.601 20 0 CHADMP Cc1ccc([C@@H](C)CC[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)o1 ZINC001235041893 1130705359 /nfs/dbraw/zinc/70/53/59/1130705359.db2.gz UPJVQLRBCLVELX-YJBOKZPZSA-N 2 1 290.451 3.690 20 0 CHADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)CC1 ZINC001235042611 1130705398 /nfs/dbraw/zinc/70/53/98/1130705398.db2.gz YGCGBOOAEXWXDR-KSZLIROESA-N 2 1 276.468 3.587 20 0 CHADMP c1ccc2c(c1)cccc2C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235041683 1130705522 /nfs/dbraw/zinc/70/55/22/1130705522.db2.gz RNNRHYMTYGZYIJ-HXUWFJFHSA-N 2 1 294.442 3.948 20 0 CHADMP Cc1c(C)c(C)c(C[N@@H+]2CCC[C@]23CC[NH2+]C3)c(C)c1C ZINC001235111586 1130711858 /nfs/dbraw/zinc/71/18/58/1130711858.db2.gz RHGCHQSNDBPLRO-LJQANCHMSA-N 2 1 286.463 3.557 20 0 CHADMP Cc1c(C)c(C)c(C[N@H+]2CCC[C@]23CC[NH2+]C3)c(C)c1C ZINC001235111586 1130711863 /nfs/dbraw/zinc/71/18/63/1130711863.db2.gz RHGCHQSNDBPLRO-LJQANCHMSA-N 2 1 286.463 3.557 20 0 CHADMP c1ccc(C2(C[N@@H+]3CCCC[C@@]34CC[NH2+]C4)CCCC2)cc1 ZINC001235125076 1130713281 /nfs/dbraw/zinc/71/32/81/1130713281.db2.gz NEKKXXFBJSJQMK-FQEVSTJZSA-N 2 1 298.474 3.716 20 0 CHADMP c1ccc(C2(C[N@H+]3CCCC[C@@]34CC[NH2+]C4)CCCC2)cc1 ZINC001235125076 1130713287 /nfs/dbraw/zinc/71/32/87/1130713287.db2.gz NEKKXXFBJSJQMK-FQEVSTJZSA-N 2 1 298.474 3.716 20 0 CHADMP Cc1c(Cl)ccc(C[N@H+]2CCCC23CC[NH2+]CC3)c1C ZINC001235143942 1130715358 /nfs/dbraw/zinc/71/53/58/1130715358.db2.gz GYNWLDKSJCEEEM-UHFFFAOYSA-N 2 1 292.854 3.675 20 0 CHADMP C[C@H](C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1)c1ccccc1 ZINC001235154953 1130716024 /nfs/dbraw/zinc/71/60/24/1130716024.db2.gz XJGJZISEPKQWKG-APWZRJJASA-N 2 1 286.463 3.644 20 0 CHADMP c1cc2cc(C[N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)ccc2[nH]1 ZINC001235155149 1130716234 /nfs/dbraw/zinc/71/62/34/1130716234.db2.gz NLCUTEILLZFWPC-IBGZPJMESA-N 2 1 297.446 3.522 20 0 CHADMP Cc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(C)c1 ZINC001235152972 1130716734 /nfs/dbraw/zinc/71/67/34/1130716734.db2.gz QHOCRWDHHNOQFJ-IBGZPJMESA-N 2 1 286.463 3.658 20 0 CHADMP CCCC[C@@H](CC)C[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235176037 1130719150 /nfs/dbraw/zinc/71/91/50/1130719150.db2.gz YXBANSHTHHZJJA-SJORKVTESA-N 2 1 266.473 3.811 20 0 CHADMP CCCC[C@@H](CC)C[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235176030 1130719568 /nfs/dbraw/zinc/71/95/68/1130719568.db2.gz YXBANSHTHHZJJA-IAGOWNOFSA-N 2 1 266.473 3.811 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235239281 1130725958 /nfs/dbraw/zinc/72/59/58/1130725958.db2.gz GOZCMSNLIGMPGC-CXAGYDPISA-N 2 1 286.444 3.523 20 0 CHADMP CCCCCC[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235248115 1130726902 /nfs/dbraw/zinc/72/69/02/1130726902.db2.gz NPAVCGBRAKBVFY-RTBURBONSA-N 2 1 286.463 3.788 20 0 CHADMP CCCCCC[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235248115 1130726908 /nfs/dbraw/zinc/72/69/08/1130726908.db2.gz NPAVCGBRAKBVFY-RTBURBONSA-N 2 1 286.463 3.788 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235253688 1130727125 /nfs/dbraw/zinc/72/71/25/1130727125.db2.gz DETLZFGQFDBXHY-OPCNFVSTSA-N 2 1 264.457 3.587 20 0 CHADMP C[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1cccc2ccccc21 ZINC001235257009 1130729648 /nfs/dbraw/zinc/72/96/48/1130729648.db2.gz WMYAUSKRLFFIST-MDYRTPRTSA-N 2 1 294.442 3.627 20 0 CHADMP c1cc(C2CCCCC2)ccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235264973 1130730356 /nfs/dbraw/zinc/73/03/56/1130730356.db2.gz RZPBJXHTPKLIEM-WOJBJXKFSA-N 2 1 298.474 3.918 20 0 CHADMP CCCCCC[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235380954 1130737833 /nfs/dbraw/zinc/73/78/33/1130737833.db2.gz XXSANXIAKTVOAP-MOPGFXCFSA-N 2 1 286.463 3.646 20 0 CHADMP CC(C)c1ccc(C[C@H](C)C[N@@H+](C)C2CC[NH2+]CC2)cc1 ZINC001235472325 1130747506 /nfs/dbraw/zinc/74/75/06/1130747506.db2.gz JADWSABXSOTVHG-INIZCTEOSA-N 2 1 288.479 3.672 20 0 CHADMP Cc1cc(Cl)cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC001235537283 1130753911 /nfs/dbraw/zinc/75/39/11/1130753911.db2.gz JONDHIWBFWFUAF-UHFFFAOYSA-N 2 1 292.854 3.566 20 0 CHADMP c1csc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]C3)c1 ZINC001235672891 1130763991 /nfs/dbraw/zinc/76/39/91/1130763991.db2.gz ALHXETIWTYDGNS-INIZCTEOSA-N 2 1 284.428 3.688 20 0 CHADMP c1csc([C@@H]2CCC[N@@H+]2CC2CC3(C2)CC[NH2+]CC3)c1 ZINC001235676542 1130765362 /nfs/dbraw/zinc/76/53/62/1130765362.db2.gz AOBKCOZJIOCLRR-HNNXBMFYSA-N 2 1 290.476 3.665 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001235677280 1130765814 /nfs/dbraw/zinc/76/58/14/1130765814.db2.gz GECGZIBYODBFLU-FQEVSTJZSA-N 2 1 292.426 3.935 20 0 CHADMP Fc1ccccc1[C@@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001235680545 1130768124 /nfs/dbraw/zinc/76/81/24/1130768124.db2.gz TXRYFGVDGPXYAE-YJBOKZPZSA-N 2 1 290.426 3.742 20 0 CHADMP Cc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CCCC[NH2+]2)cc1 ZINC001235679053 1130768343 /nfs/dbraw/zinc/76/83/43/1130768343.db2.gz OFJJMJOVAMCLLW-ZWKOTPCHSA-N 2 1 272.436 3.664 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@@H+](C)CCC2CC[NH2+]CC2)c1 ZINC001235717910 1130771262 /nfs/dbraw/zinc/77/12/62/1130771262.db2.gz PGZHKHPTBOTJQZ-UHFFFAOYSA-N 2 1 294.870 3.778 20 0 CHADMP [NH3+]Cc1cccc(C[N@H+]2CCC[C@@H]2c2ccccc2F)c1 ZINC001235718048 1130771420 /nfs/dbraw/zinc/77/14/20/1130771420.db2.gz BAGVGZJJUQVQQK-GOSISDBHSA-N 2 1 284.378 3.622 20 0 CHADMP Cc1cccc(-c2ccc(C[N@@H+]3CCC[C@H]3C[NH3+])cc2)c1 ZINC001235724819 1130773243 /nfs/dbraw/zinc/77/32/43/1130773243.db2.gz JPXPHWVNJJOIGC-IBGZPJMESA-N 2 1 280.415 3.585 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3CCC[C@H]3C[NH3+])cc2)c1 ZINC001235724819 1130773246 /nfs/dbraw/zinc/77/32/46/1130773246.db2.gz JPXPHWVNJJOIGC-IBGZPJMESA-N 2 1 280.415 3.585 20 0 CHADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc3sc4ccccc4c3c2)C1 ZINC001235751388 1130775874 /nfs/dbraw/zinc/77/58/74/1130775874.db2.gz XRYQGTJITLUEPS-AWEZNQCLSA-N 2 1 296.439 3.835 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000693748650 1130776928 /nfs/dbraw/zinc/77/69/28/1130776928.db2.gz BAJRRIADTFRPLI-NEWSRXKRSA-N 2 1 298.474 3.677 20 0 CHADMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(-c2ccccc2)c1 ZINC001235777618 1130778479 /nfs/dbraw/zinc/77/84/79/1130778479.db2.gz NWNBNDLBSDMXFG-IHWFROFDSA-N 2 1 292.426 3.808 20 0 CHADMP Clc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)s1 ZINC001235839140 1130785272 /nfs/dbraw/zinc/78/52/72/1130785272.db2.gz KTFOEWNFIFGXOO-QWHCGFSZSA-N 2 1 298.883 3.928 20 0 CHADMP CC(C)c1ccc(C[C@@H](C)C[N@@H+](C)C[C@@H]2CC[NH2+]C2)cc1 ZINC001235840887 1130786907 /nfs/dbraw/zinc/78/69/07/1130786907.db2.gz CJAJUROISJASNJ-SJLPKXTDSA-N 2 1 288.479 3.530 20 0 CHADMP C[N@H+](Cc1ccc(-c2ccc(F)cc2)cc1)C[C@@H]1CC[NH2+]C1 ZINC001235841360 1130787643 /nfs/dbraw/zinc/78/76/43/1130787643.db2.gz DQILYBINJIDZCV-MRXNPFEDSA-N 2 1 298.405 3.534 20 0 CHADMP CC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813880229 1130792986 /nfs/dbraw/zinc/79/29/86/1130792986.db2.gz DENPZAOPKQIRHQ-BPIHKTFHSA-N 2 1 286.463 3.960 20 0 CHADMP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1cccc2c3ccccc3oc21 ZINC001235906827 1130802771 /nfs/dbraw/zinc/80/27/71/1130802771.db2.gz OVTLRNBVSYZYEZ-HIFRSBDPSA-N 2 1 294.398 3.898 20 0 CHADMP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1Cc1cccc2c3ccccc3oc21 ZINC001235906827 1130802774 /nfs/dbraw/zinc/80/27/74/1130802774.db2.gz OVTLRNBVSYZYEZ-HIFRSBDPSA-N 2 1 294.398 3.898 20 0 CHADMP Cc1ccc(-c2cccc(C[N@@H+](CC[NH3+])C(C)C)c2)cc1 ZINC001235948127 1130812525 /nfs/dbraw/zinc/81/25/25/1130812525.db2.gz UORFFVCXROTBQM-UHFFFAOYSA-N 2 1 282.431 3.831 20 0 CHADMP Cc1ccc(-c2cccc(C[N@H+](CC[NH3+])C(C)C)c2)cc1 ZINC001235948127 1130812529 /nfs/dbraw/zinc/81/25/29/1130812529.db2.gz UORFFVCXROTBQM-UHFFFAOYSA-N 2 1 282.431 3.831 20 0 CHADMP Clc1ccc([C@H]2CC[N@@H+](CC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001235946723 1130812550 /nfs/dbraw/zinc/81/25/50/1130812550.db2.gz AGFBJVVVIJPTNZ-RDJZCZTQSA-N 2 1 292.854 3.662 20 0 CHADMP Clc1cccc([C@@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)c1 ZINC001235949482 1130814571 /nfs/dbraw/zinc/81/45/71/1130814571.db2.gz AHYFEEISWBMGAI-GDBMZVCRSA-N 2 1 292.854 3.519 20 0 CHADMP C[C@@H](C[N@@H+](C)C[C@@H]1CCC[NH2+]C1)c1cccc2ccccc21 ZINC001235951999 1130815615 /nfs/dbraw/zinc/81/56/15/1130815615.db2.gz WTCGRUOPISKWTD-DLBZAZTESA-N 2 1 296.458 3.875 20 0 CHADMP [NH3+]CCCCCC[N@@H+](Cc1ccccn1)C1CCCCC1 ZINC001235961688 1130818282 /nfs/dbraw/zinc/81/82/82/1130818282.db2.gz DSGYGPSWNMJOTJ-UHFFFAOYSA-N 2 1 289.467 3.735 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235990270 1130824860 /nfs/dbraw/zinc/82/48/60/1130824860.db2.gz MGWPPNXKLRSLAM-FXAWDEMLSA-N 2 1 292.426 3.585 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235990270 1130824862 /nfs/dbraw/zinc/82/48/62/1130824862.db2.gz MGWPPNXKLRSLAM-FXAWDEMLSA-N 2 1 292.426 3.585 20 0 CHADMP c1cc2c(cc1C[N@H+]1CCC[C@H]1C1CCCCC1)C[NH2+]CC2 ZINC001236043541 1130836232 /nfs/dbraw/zinc/83/62/32/1130836232.db2.gz WXIYLXWQHHSLLZ-FQEVSTJZSA-N 2 1 298.474 3.877 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H](C)C[C@@H]([NH3+])C3)cc2)cc1 ZINC001236051330 1130839708 /nfs/dbraw/zinc/83/97/08/1130839708.db2.gz VZUKHFNAKYPSGI-OXQOHEQNSA-N 2 1 294.442 3.831 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@H](C)C[C@@H]([NH3+])C3)cc2)cc1 ZINC001236051330 1130839711 /nfs/dbraw/zinc/83/97/11/1130839711.db2.gz VZUKHFNAKYPSGI-OXQOHEQNSA-N 2 1 294.442 3.831 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@@H](C)C[C@H]([NH3+])C3)cc2)cc1 ZINC001236051327 1130840410 /nfs/dbraw/zinc/84/04/10/1130840410.db2.gz VZUKHFNAKYPSGI-JXFKEZNVSA-N 2 1 294.442 3.831 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@@H](C)C[C@H]([NH3+])C3)cc2)cc1 ZINC001236051327 1130840420 /nfs/dbraw/zinc/84/04/20/1130840420.db2.gz VZUKHFNAKYPSGI-JXFKEZNVSA-N 2 1 294.442 3.831 20 0 CHADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(Oc3ccccc3)cc2)C1 ZINC001236066310 1130845262 /nfs/dbraw/zinc/84/52/62/1130845262.db2.gz HFJNVFAHYCWISG-KRWDZBQOSA-N 2 1 296.414 3.520 20 0 CHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)cc2)C1 ZINC001236066310 1130845267 /nfs/dbraw/zinc/84/52/67/1130845267.db2.gz HFJNVFAHYCWISG-KRWDZBQOSA-N 2 1 296.414 3.520 20 0 CHADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(-c3cccs3)s2)C1 ZINC001236067296 1130845762 /nfs/dbraw/zinc/84/57/62/1130845762.db2.gz PJAANAGIWFOXTM-GFCCVEGCSA-N 2 1 292.473 3.518 20 0 CHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(-c3cccs3)s2)C1 ZINC001236067296 1130845766 /nfs/dbraw/zinc/84/57/66/1130845766.db2.gz PJAANAGIWFOXTM-GFCCVEGCSA-N 2 1 292.473 3.518 20 0 CHADMP C[C@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2)CCC[NH2+]1 ZINC001236095359 1130858997 /nfs/dbraw/zinc/85/89/97/1130858997.db2.gz RUJCDMUBJZRTMO-INIZCTEOSA-N 2 1 280.415 3.537 20 0 CHADMP C[C@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2)CCC[NH2+]1 ZINC001236095359 1130859006 /nfs/dbraw/zinc/85/90/06/1130859006.db2.gz RUJCDMUBJZRTMO-INIZCTEOSA-N 2 1 280.415 3.537 20 0 CHADMP CSc1ccccc1[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC001236109673 1130866519 /nfs/dbraw/zinc/86/65/19/1130866519.db2.gz VNVLVDJVOLGJEG-HOCLYGCPSA-N 2 1 290.476 3.545 20 0 CHADMP COc1ccc(-c2ccc(C[N@@H+](C)CCCC[NH3+])cc2)cc1 ZINC001236141592 1130874799 /nfs/dbraw/zinc/87/47/99/1130874799.db2.gz KVGQQLKIMUIPPF-UHFFFAOYSA-N 2 1 298.430 3.533 20 0 CHADMP c1[nH]c2ccccc2c1[C@@H]1CCC[N@@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC001236191022 1130884031 /nfs/dbraw/zinc/88/40/31/1130884031.db2.gz JBZAAJUQJQQYRF-KXBFYZLASA-N 2 1 297.446 3.837 20 0 CHADMP CC1(C[N@H+]2CCC[C@H]2c2c[nH]c3ccccc32)CC[NH2+]CC1 ZINC001236192734 1130885347 /nfs/dbraw/zinc/88/53/47/1130885347.db2.gz QDRMKHZEOZMDRU-SFHVURJKSA-N 2 1 297.446 3.695 20 0 CHADMP Cc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])c2ccccc12 ZINC001236211963 1130888296 /nfs/dbraw/zinc/88/82/96/1130888296.db2.gz KMBXCXBUBOCCIA-MOPGFXCFSA-N 2 1 282.431 3.850 20 0 CHADMP C[N@H+](Cc1cc2ccccc2s1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236211922 1130888606 /nfs/dbraw/zinc/88/86/06/1130888606.db2.gz JXTOQNHLQTUNJN-HUUCEWRRSA-N 2 1 274.433 3.603 20 0 CHADMP C[N@@H+](Cc1cc2ccccc2s1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236211922 1130888610 /nfs/dbraw/zinc/88/86/10/1130888610.db2.gz JXTOQNHLQTUNJN-HUUCEWRRSA-N 2 1 274.433 3.603 20 0 CHADMP C[N@H+](Cc1cccc2[nH]cc(Cl)c21)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215742 1130889059 /nfs/dbraw/zinc/88/90/59/1130889059.db2.gz XRNVXUSRSKHQMI-UKRRQHHQSA-N 2 1 291.826 3.523 20 0 CHADMP C[N@@H+](Cc1cccc2[nH]cc(Cl)c21)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215742 1130889065 /nfs/dbraw/zinc/88/90/65/1130889065.db2.gz XRNVXUSRSKHQMI-UKRRQHHQSA-N 2 1 291.826 3.523 20 0 CHADMP C[N@H+](Cc1cccc2[nH]cc(Cl)c21)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215743 1130889391 /nfs/dbraw/zinc/88/93/91/1130889391.db2.gz XRNVXUSRSKHQMI-ZFWWWQNUSA-N 2 1 291.826 3.523 20 0 CHADMP C[N@@H+](Cc1cccc2[nH]cc(Cl)c21)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215743 1130889399 /nfs/dbraw/zinc/88/93/99/1130889399.db2.gz XRNVXUSRSKHQMI-ZFWWWQNUSA-N 2 1 291.826 3.523 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(Cl)ccc2C)CC1 ZINC001236214824 1130890101 /nfs/dbraw/zinc/89/01/01/1130890101.db2.gz HMKZQNPOQPSULN-UHFFFAOYSA-N 2 1 280.843 3.611 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)CC[C@@H]2CC=C(C)C2(C)C)CC1 ZINC001236212658 1130891504 /nfs/dbraw/zinc/89/15/04/1130891504.db2.gz KYSDYHFKPSPYDA-GTPINHCMSA-N 2 1 278.484 3.831 20 0 CHADMP Cc1cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc(C)c1Cl ZINC001236214575 1130891738 /nfs/dbraw/zinc/89/17/38/1130891738.db2.gz GADIMZJINLZAPD-HUUCEWRRSA-N 2 1 280.843 3.659 20 0 CHADMP Cc1cc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc(C)c1Cl ZINC001236214575 1130891743 /nfs/dbraw/zinc/89/17/43/1130891743.db2.gz GADIMZJINLZAPD-HUUCEWRRSA-N 2 1 280.843 3.659 20 0 CHADMP C[C@H](CC[N@H+]1CC[C@H]([NH3+])[C@H](C(F)(F)F)C1)CC(C)(C)C ZINC001236354527 1130917697 /nfs/dbraw/zinc/91/76/97/1130917697.db2.gz KFBCFTYHFNSHAV-UPJWGTAASA-N 2 1 294.405 3.660 20 0 CHADMP Cc1sccc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236376477 1130923733 /nfs/dbraw/zinc/92/37/33/1130923733.db2.gz SMDXKMNKPUIUQC-HNNXBMFYSA-N 2 1 292.492 3.801 20 0 CHADMP CCCCC[N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236401238 1130928878 /nfs/dbraw/zinc/92/88/78/1130928878.db2.gz LXXLDGYSUONWMY-UHFFFAOYSA-N 2 1 278.415 3.570 20 0 CHADMP CC[N@H+](Cc1c(C)c(C)c(C)c(C)c1C)C[C@H]1CC[NH2+]C1 ZINC001236407413 1130931567 /nfs/dbraw/zinc/93/15/67/1130931567.db2.gz FCTKJFPTCVGHPA-SFHVURJKSA-N 2 1 288.479 3.660 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cccc2c3ccccc3oc21 ZINC001236417850 1130934414 /nfs/dbraw/zinc/93/44/14/1130934414.db2.gz VCKJIMNFTDYQIG-OAHLLOKOSA-N 2 1 294.398 3.770 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cccc2c3ccccc3oc21 ZINC001236417850 1130934417 /nfs/dbraw/zinc/93/44/17/1130934417.db2.gz VCKJIMNFTDYQIG-OAHLLOKOSA-N 2 1 294.398 3.770 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+]1CCC[C@@H]([NH3+])[C@@H]1C ZINC001236421956 1130936851 /nfs/dbraw/zinc/93/68/51/1130936851.db2.gz UYJXSOLGTWKAGV-GXTWGEPZSA-N 2 1 274.433 3.521 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+]1CCC[C@@H]([NH3+])[C@@H]1C ZINC001236421956 1130936855 /nfs/dbraw/zinc/93/68/55/1130936855.db2.gz UYJXSOLGTWKAGV-GXTWGEPZSA-N 2 1 274.433 3.521 20 0 CHADMP CSc1ccc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236473368 1130950016 /nfs/dbraw/zinc/95/00/16/1130950016.db2.gz HIGABRIUVRXFCL-MRXNPFEDSA-N 2 1 292.492 3.619 20 0 CHADMP CSc1ccc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236473368 1130950021 /nfs/dbraw/zinc/95/00/21/1130950021.db2.gz HIGABRIUVRXFCL-MRXNPFEDSA-N 2 1 292.492 3.619 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2F)CC2CCC2)CC1 ZINC001236533811 1130967653 /nfs/dbraw/zinc/96/76/53/1130967653.db2.gz HWCVFHPDEQGOFP-QAQDUYKDSA-N 2 1 290.426 3.698 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCC2CCCC2)CC2CCC2)CC1 ZINC001236542493 1130968888 /nfs/dbraw/zinc/96/88/88/1130968888.db2.gz XQEWFWZDUGVCQH-IYARVYRRSA-N 2 1 278.484 3.939 20 0 CHADMP Cc1ccc(C[N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236541421 1130968914 /nfs/dbraw/zinc/96/89/14/1130968914.db2.gz KEOGIOZVZBEOLP-WGSAOQKQSA-N 2 1 286.463 3.867 20 0 CHADMP Cc1ccc(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c(C)c1 ZINC001236552197 1130973025 /nfs/dbraw/zinc/97/30/25/1130973025.db2.gz OLZLDLLGNVGNQG-WGSAOQKQSA-N 2 1 286.463 3.785 20 0 CHADMP Cc1ccc(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1C ZINC001236553158 1130974569 /nfs/dbraw/zinc/97/45/69/1130974569.db2.gz TVZQWBJVMSPBCQ-WGSAOQKQSA-N 2 1 286.463 3.785 20 0 CHADMP C[C@@H]1C[C@H]1C[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236565683 1130976628 /nfs/dbraw/zinc/97/66/28/1130976628.db2.gz MNKMHVVMAZAFII-JYYAWHABSA-N 2 1 264.457 3.547 20 0 CHADMP Cc1ccc(C[N@H+](C2CCC2)C2CC[NH2+]CC2)c(Cl)c1 ZINC001236638284 1130986165 /nfs/dbraw/zinc/98/61/65/1130986165.db2.gz XZEIXAAEMVNTGP-UHFFFAOYSA-N 2 1 292.854 3.755 20 0 CHADMP Cc1ccc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c(Cl)c1 ZINC001236638284 1130986169 /nfs/dbraw/zinc/98/61/69/1130986169.db2.gz XZEIXAAEMVNTGP-UHFFFAOYSA-N 2 1 292.854 3.755 20 0 CHADMP Cc1c(Cl)cccc1C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236638215 1130986919 /nfs/dbraw/zinc/98/69/19/1130986919.db2.gz WQYRSFFMCNHBMR-UHFFFAOYSA-N 2 1 292.854 3.755 20 0 CHADMP Cc1ccc([C@@H](C)CC[N@@H+](C2CCC2)C2CC[NH2+]CC2)o1 ZINC001236634511 1130987409 /nfs/dbraw/zinc/98/74/09/1130987409.db2.gz UXLPWQBIRBQBBQ-AWEZNQCLSA-N 2 1 290.451 3.688 20 0 CHADMP Cc1ccc(Cl)c(C[N@H+](C2CCC2)C2CC[NH2+]CC2)c1 ZINC001236647967 1130988812 /nfs/dbraw/zinc/98/88/12/1130988812.db2.gz NWHVFISXUVEYHL-UHFFFAOYSA-N 2 1 292.854 3.755 20 0 CHADMP Cc1ccc(Cl)c(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c1 ZINC001236647967 1130988817 /nfs/dbraw/zinc/98/88/17/1130988817.db2.gz NWHVFISXUVEYHL-UHFFFAOYSA-N 2 1 292.854 3.755 20 0 CHADMP Cc1cc(F)ccc1[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000815557202 1130999198 /nfs/dbraw/zinc/99/91/98/1130999198.db2.gz OOFPXPHWPBLNKX-AWEZNQCLSA-N 2 1 266.404 3.515 20 0 CHADMP Cc1cc(F)ccc1[C@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000815557202 1130999203 /nfs/dbraw/zinc/99/92/03/1130999203.db2.gz OOFPXPHWPBLNKX-AWEZNQCLSA-N 2 1 266.404 3.515 20 0 CHADMP Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000815576592 1131000961 /nfs/dbraw/zinc/00/09/61/1131000961.db2.gz UHMCHBRDCLGUTE-JKSUJKDBSA-N 2 1 292.442 3.905 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc2ccoc21 ZINC001236743722 1131004256 /nfs/dbraw/zinc/00/42/56/1131004256.db2.gz SVFAXVAZUWIIBQ-UHFFFAOYSA-N 2 1 274.408 3.597 20 0 CHADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000815590161 1131004704 /nfs/dbraw/zinc/00/47/04/1131004704.db2.gz NFLSRIBHWDFSFG-CQSZACIVSA-N 2 1 278.415 3.658 20 0 CHADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000815570705 1131006872 /nfs/dbraw/zinc/00/68/72/1131006872.db2.gz KMLLRXJIMXOQBL-CQSZACIVSA-N 2 1 290.426 3.802 20 0 CHADMP CCC[N@@H+](CC[C@H]1CC=C(C)C1(C)C)C[C@H]1CC[NH2+]C1 ZINC001236828996 1131016783 /nfs/dbraw/zinc/01/67/83/1131016783.db2.gz JUDFYBCDGFVQDF-DLBZAZTESA-N 2 1 278.484 3.690 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC001236826925 1131017124 /nfs/dbraw/zinc/01/71/24/1131017124.db2.gz DCJWIGFMMIJUIZ-JQHSSLGASA-N 2 1 286.463 3.543 20 0 CHADMP CCC[N@@H+](Cc1cc(C)c(Cl)cc1F)C[C@@H]1CC[NH2+]C1 ZINC001236843146 1131020557 /nfs/dbraw/zinc/02/05/57/1131020557.db2.gz LDTYXTXXXIJLQQ-CYBMUJFWSA-N 2 1 298.833 3.609 20 0 CHADMP CCC[N@H+](Cc1cc(C)c(Cl)cc1F)C[C@@H]1CC[NH2+]C1 ZINC001236843146 1131020564 /nfs/dbraw/zinc/02/05/64/1131020564.db2.gz LDTYXTXXXIJLQQ-CYBMUJFWSA-N 2 1 298.833 3.609 20 0 CHADMP CCC[N@@H+](Cc1cc(F)cc(C)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001236844210 1131021167 /nfs/dbraw/zinc/02/11/67/1131021167.db2.gz PYACQFNAIJSQIW-ZDUSSCGKSA-N 2 1 298.833 3.609 20 0 CHADMP CCC[N@H+](Cc1cc(F)cc(C)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001236844210 1131021172 /nfs/dbraw/zinc/02/11/72/1131021172.db2.gz PYACQFNAIJSQIW-ZDUSSCGKSA-N 2 1 298.833 3.609 20 0 CHADMP CCC[N@H+](Cc1ccc2ccsc2c1)C[C@H]1CC[NH2+]C1 ZINC001236842341 1131022179 /nfs/dbraw/zinc/02/21/79/1131022179.db2.gz FHGFNUCHDNNFPJ-HNNXBMFYSA-N 2 1 288.460 3.723 20 0 CHADMP Cc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1Cl ZINC001236856213 1131022589 /nfs/dbraw/zinc/02/25/89/1131022589.db2.gz KQCZHMPEGMZTGG-UHFFFAOYSA-N 2 1 292.854 3.566 20 0 CHADMP CC(C)[N@@H+](CCC1CC[NH2+]CC1)[C@@H](C)c1ccccc1 ZINC001236860624 1131026060 /nfs/dbraw/zinc/02/60/60/1131026060.db2.gz RTYPGGDEFWQWSD-INIZCTEOSA-N 2 1 274.452 3.848 20 0 CHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001237060309 1131043059 /nfs/dbraw/zinc/04/30/59/1131043059.db2.gz ZRLZKDIZIKZURR-FQEVSTJZSA-N 2 1 294.442 3.914 20 0 CHADMP c1cc(C2CC2)ccc1C[N@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237157270 1131063104 /nfs/dbraw/zinc/06/31/04/1131063104.db2.gz SUBCBMCFLHVHIA-LJQANCHMSA-N 2 1 284.447 3.671 20 0 CHADMP c1cc(C2CC2)ccc1C[N@@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237157270 1131063111 /nfs/dbraw/zinc/06/31/11/1131063111.db2.gz SUBCBMCFLHVHIA-LJQANCHMSA-N 2 1 284.447 3.671 20 0 CHADMP c1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)c2cccccc1-2 ZINC001237183732 1131063437 /nfs/dbraw/zinc/06/34/37/1131063437.db2.gz CTUIGMRJQXUVQW-UHFFFAOYSA-N 2 1 294.442 3.852 20 0 CHADMP CC1=CCC[C@@H](C)[C@H]1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798957013 1131064235 /nfs/dbraw/zinc/06/42/35/1131064235.db2.gz IMPDUKWKURTQHO-MSOLQXFVSA-N 2 1 290.495 3.787 20 0 CHADMP CC(C)=CCCC1=CC[C@H](C[N@H+]2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC001237203386 1131069846 /nfs/dbraw/zinc/06/98/46/1131069846.db2.gz FLYKBZCLOQLOFM-NJAFHUGGSA-N 2 1 276.468 3.881 20 0 CHADMP CC(C)=CCCC1=CC[C@H](C[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC001237203386 1131069849 /nfs/dbraw/zinc/06/98/49/1131069849.db2.gz FLYKBZCLOQLOFM-NJAFHUGGSA-N 2 1 276.468 3.881 20 0 CHADMP Cc1c(Cl)ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1C ZINC001237416032 1131096808 /nfs/dbraw/zinc/09/68/08/1131096808.db2.gz REULXDPRGZFTTH-DOTOQJQBSA-N 2 1 292.854 3.531 20 0 CHADMP Cc1c(Cl)ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1C ZINC001237416032 1131096813 /nfs/dbraw/zinc/09/68/13/1131096813.db2.gz REULXDPRGZFTTH-DOTOQJQBSA-N 2 1 292.854 3.531 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2C(C)C)C1 ZINC001116288549 1131138888 /nfs/dbraw/zinc/13/88/88/1131138888.db2.gz INDLIIADZDJXEE-IXDOHACOSA-N 2 1 266.473 3.523 20 0 CHADMP Cc1ccc(C2CC([NH2+][C@@H]3CCCC[C@H]3[NH+](C)C)C2)cc1 ZINC001116535937 1131153356 /nfs/dbraw/zinc/15/33/56/1131153356.db2.gz UCSNPLGZZZMMRR-CSODTCANSA-N 2 1 286.463 3.703 20 0 CHADMP Cc1ccccc1C1CC([NH2+][C@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001116544203 1131154379 /nfs/dbraw/zinc/15/43/79/1131154379.db2.gz JWXSXKHUZAAVBG-YVZJPGBNSA-N 2 1 286.463 3.703 20 0 CHADMP Cc1cccc([C@H]2CCC[N@@H+]2Cc2cccc3c[nH+]cn32)c1 ZINC001238102490 1131171753 /nfs/dbraw/zinc/17/17/53/1131171753.db2.gz DFNPAWVDLHIVFV-LJQANCHMSA-N 2 1 291.398 3.980 20 0 CHADMP Cc1cccc([C@H]2CCC[N@H+]2Cc2cccc3c[nH+]cn32)c1 ZINC001238102490 1131171758 /nfs/dbraw/zinc/17/17/58/1131171758.db2.gz DFNPAWVDLHIVFV-LJQANCHMSA-N 2 1 291.398 3.980 20 0 CHADMP c1ncn2c1cccc2C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC001238111925 1131173127 /nfs/dbraw/zinc/17/31/27/1131173127.db2.gz YXOZCSPFXWDUPT-SFHVURJKSA-N 2 1 283.419 3.879 20 0 CHADMP c1[nH+]cn2c1cccc2C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC001238111925 1131173131 /nfs/dbraw/zinc/17/31/31/1131173131.db2.gz YXOZCSPFXWDUPT-SFHVURJKSA-N 2 1 283.419 3.879 20 0 CHADMP c1[nH+]cn2c1cccc2C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC001238111925 1131173135 /nfs/dbraw/zinc/17/31/35/1131173135.db2.gz YXOZCSPFXWDUPT-SFHVURJKSA-N 2 1 283.419 3.879 20 0 CHADMP CC(C)c1cc(C[N@H+](C)CCC[NH+](C)C)ccc1Cl ZINC001238220526 1131183532 /nfs/dbraw/zinc/18/35/32/1131183532.db2.gz VRBUOPVIRHRJGT-UHFFFAOYSA-N 2 1 282.859 3.847 20 0 CHADMP CC(C)c1cc(C[N@@H+](C)CCC[NH+](C)C)ccc1Cl ZINC001238220526 1131183533 /nfs/dbraw/zinc/18/35/33/1131183533.db2.gz VRBUOPVIRHRJGT-UHFFFAOYSA-N 2 1 282.859 3.847 20 0 CHADMP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC)C1 ZINC001117550142 1131188572 /nfs/dbraw/zinc/18/85/72/1131188572.db2.gz IGXJDWMDHQMXER-XHSDSOJGSA-N 2 1 254.462 3.523 20 0 CHADMP CC[N@H+]1CCC[C@@H](CN[C@H](C)c2nccc3ccccc32)C1 ZINC001117671527 1131191275 /nfs/dbraw/zinc/19/12/75/1131191275.db2.gz KASHBMGUUJBNRT-CVEARBPZSA-N 2 1 297.446 3.617 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2nccc3ccccc32)C1 ZINC001117671527 1131191282 /nfs/dbraw/zinc/19/12/82/1131191282.db2.gz KASHBMGUUJBNRT-CVEARBPZSA-N 2 1 297.446 3.617 20 0 CHADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccccc1SC(C)(C)C ZINC000817980712 1131195652 /nfs/dbraw/zinc/19/56/52/1131195652.db2.gz WPJJVGQWPXSVIV-OLZOCXBDSA-N 2 1 280.481 3.965 20 0 CHADMP CCCCCC[C@@H](CCC)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC001246235609 1131421005 /nfs/dbraw/zinc/42/10/05/1131421005.db2.gz ZEFBFVDWKWKVQF-LSDHHAIUSA-N 2 1 290.442 3.960 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2c(C)cccc2C)CC1 ZINC001137854159 1131424465 /nfs/dbraw/zinc/42/44/65/1131424465.db2.gz KPDOXRIGTGIWBW-UHFFFAOYSA-N 2 1 288.479 4.000 20 0 CHADMP CCCCC[C@@H](CC)[NH2+][C@@H](C[NH3+])Cc1ccccc1 ZINC001246265048 1131436720 /nfs/dbraw/zinc/43/67/20/1131436720.db2.gz HOGBOAJYSZQFDI-IAGOWNOFSA-N 2 1 262.441 3.505 20 0 CHADMP CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)C1CCCC1 ZINC000823737032 1131439352 /nfs/dbraw/zinc/43/93/52/1131439352.db2.gz RIKNENXSFVRYOG-RDJZCZTQSA-N 2 1 266.473 3.667 20 0 CHADMP Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c2ccccc12 ZINC001138018371 1131452156 /nfs/dbraw/zinc/45/21/56/1131452156.db2.gz VCFZKKRGAKEHCO-YLJYHZDGSA-N 2 1 294.442 3.532 20 0 CHADMP CCC[C@H](C)CC[C@@H](C)[NH2+][C@@H]1C[NH2+]CCC1(C)C ZINC001246332226 1131473597 /nfs/dbraw/zinc/47/35/97/1131473597.db2.gz QBUBXGSGZRKERI-RRFJBIMHSA-N 2 1 254.462 3.569 20 0 CHADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc2cc(C)ccc2[nH]1 ZINC001138418383 1131501317 /nfs/dbraw/zinc/50/13/17/1131501317.db2.gz RFMYKRDANJCBSG-UHFFFAOYSA-N 2 1 287.451 3.640 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc2cc(C)ccc2[nH]1 ZINC001138418383 1131501324 /nfs/dbraw/zinc/50/13/24/1131501324.db2.gz RFMYKRDANJCBSG-UHFFFAOYSA-N 2 1 287.451 3.640 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH+](C(C)C)C(C)C)cc1 ZINC001138543163 1131518851 /nfs/dbraw/zinc/51/88/51/1131518851.db2.gz LRTWVIJMPOCWJP-UHFFFAOYSA-N 2 1 271.408 3.800 20 0 CHADMP CCCC(C[NH3+])(CCC)[NH2+][C@@H](CC)Cc1ccccc1 ZINC001246493509 1131525602 /nfs/dbraw/zinc/52/56/02/1131525602.db2.gz BXAIQEGNFGURCO-KRWDZBQOSA-N 2 1 276.468 3.895 20 0 CHADMP CCCC(C[NH3+])(CCC)[NH2+][C@H](CC)Cc1ccccc1 ZINC001246493510 1131526011 /nfs/dbraw/zinc/52/60/11/1131526011.db2.gz BXAIQEGNFGURCO-QGZVFWFLSA-N 2 1 276.468 3.895 20 0 CHADMP c1cn(-c2ccc(C[N@H+]3CC[C@H]4CCCC[C@H]4C3)cc2)cn1 ZINC001139362918 1131605589 /nfs/dbraw/zinc/60/55/89/1131605589.db2.gz RHUWVIWYNPDGGK-MSOLQXFVSA-N 2 1 295.430 3.884 20 0 CHADMP CC(C)[C@@H]1C[C@@H]([NH+]2CCC3(CCCCC3)CC2)CC[NH2+]1 ZINC001246551657 1131608500 /nfs/dbraw/zinc/60/85/00/1131608500.db2.gz UPHPTOXMYSGJQA-IRXDYDNUSA-N 2 1 278.484 3.809 20 0 CHADMP CC[N@@H+](Cc1ccccc1C(F)F)C1CCN(C)CC1 ZINC001139799976 1131637936 /nfs/dbraw/zinc/63/79/36/1131637936.db2.gz APPADSYOHUVPPD-UHFFFAOYSA-N 2 1 282.378 3.540 20 0 CHADMP C[C@]1(F)CCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC001246569272 1131638515 /nfs/dbraw/zinc/63/85/15/1131638515.db2.gz OSQPMLVQXJTIOP-INIZCTEOSA-N 2 1 282.447 3.513 20 0 CHADMP CCCCCC[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246569056 1131639004 /nfs/dbraw/zinc/63/90/04/1131639004.db2.gz PMMMFNMAAMQKKN-PMPSAXMXSA-N 2 1 254.462 3.652 20 0 CHADMP Cc1nccn1-c1ccccc1C[N@@H+]1CCCC[C@H](C)C1 ZINC001140023578 1131656786 /nfs/dbraw/zinc/65/67/86/1131656786.db2.gz RLSQMJAQGLWQRC-HNNXBMFYSA-N 2 1 283.419 3.803 20 0 CHADMP Cc1nccn1-c1ccccc1C[N@H+]1CCC[C@@](C)(F)C1 ZINC001140022000 1131657560 /nfs/dbraw/zinc/65/75/60/1131657560.db2.gz WYURXTDEDDUMAC-QGZVFWFLSA-N 2 1 287.382 3.505 20 0 CHADMP CC[N@H+](CCC[NH2+]Cc1cnc(C)s1)C1CCCCC1 ZINC000846021847 1131677796 /nfs/dbraw/zinc/67/77/96/1131677796.db2.gz CUTQXOCSFBQSII-UHFFFAOYSA-N 2 1 295.496 3.586 20 0 CHADMP CC[N@@H+](CCC[NH2+]Cc1cnc(C)s1)C1CCCCC1 ZINC000846021847 1131677798 /nfs/dbraw/zinc/67/77/98/1131677798.db2.gz CUTQXOCSFBQSII-UHFFFAOYSA-N 2 1 295.496 3.586 20 0 CHADMP CC[C@@H]1c2ccccc2CC[N@@H+]1CCCCCC[NH3+] ZINC000846217931 1131701042 /nfs/dbraw/zinc/70/10/42/1131701042.db2.gz JBOQFOJWCMJBPX-QGZVFWFLSA-N 2 1 260.425 3.515 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000846218909 1131701126 /nfs/dbraw/zinc/70/11/26/1131701126.db2.gz YKTZJMJIEQWIMD-MRXNPFEDSA-N 2 1 280.843 3.996 20 0 CHADMP CCc1nc2c(s1)[C@@H]([N@@H+](C)CCCCCC[NH3+])CCC2 ZINC000846221262 1131702067 /nfs/dbraw/zinc/70/20/67/1131702067.db2.gz VUMBCMYNHJLNQS-AWEZNQCLSA-N 2 1 295.496 3.534 20 0 CHADMP CC(C)[N@@H+]([C@@H]1CCCC(C)(C)C1)[C@H]1CCC[NH2+]CC1 ZINC001246589776 1131705036 /nfs/dbraw/zinc/70/50/36/1131705036.db2.gz FTOABALYSLVZJQ-JKSUJKDBSA-N 2 1 266.473 3.808 20 0 CHADMP CCCCC[C@@H](C)[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001246592719 1131707021 /nfs/dbraw/zinc/70/70/21/1131707021.db2.gz LHNYFHCDSBNLRR-CVEARBPZSA-N 2 1 254.462 3.808 20 0 CHADMP CC(C)CC[C@@H](C)[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001246595908 1131710227 /nfs/dbraw/zinc/71/02/27/1131710227.db2.gz UFEHEBORQHGDKW-HZPDHXFCSA-N 2 1 254.462 3.664 20 0 CHADMP Cc1ccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(C)c1 ZINC000834839802 1131711295 /nfs/dbraw/zinc/71/12/95/1131711295.db2.gz DAOXBPFGELHEJS-AYHJJNSGSA-N 2 1 298.474 3.550 20 0 CHADMP CCCCCC1CCC([N@@H+]2CC[C@@]23CCC[NH2+]C3)CC1 ZINC001246607992 1131717265 /nfs/dbraw/zinc/71/72/65/1131717265.db2.gz UZZAZAKTGPHXJV-DAWZGUTISA-N 2 1 278.484 3.953 20 0 CHADMP CCCCCC1CCC([N@H+]2CC[C@@]23CCC[NH2+]C3)CC1 ZINC001246607992 1131717266 /nfs/dbraw/zinc/71/72/66/1131717266.db2.gz UZZAZAKTGPHXJV-DAWZGUTISA-N 2 1 278.484 3.953 20 0 CHADMP CCCC[C@H]1C[C@H]([NH+]2CCC3(CCC3)CC2)CC[NH2+]1 ZINC001246614269 1131718743 /nfs/dbraw/zinc/71/87/43/1131718743.db2.gz AIUPVPFDAHGKSQ-JKSUJKDBSA-N 2 1 264.457 3.563 20 0 CHADMP C1CCC2(C1)CCC[N@H+]([C@@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246617823 1131719975 /nfs/dbraw/zinc/71/99/75/1131719975.db2.gz ZQECZAVMRNGNHR-MRXNPFEDSA-N 2 1 276.468 3.565 20 0 CHADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001246624616 1131721949 /nfs/dbraw/zinc/72/19/49/1131721949.db2.gz VNVILLJLSDRATR-BBWFWOEESA-N 2 1 266.473 3.665 20 0 CHADMP CCC[C@H](C)CC[C@@H](C)[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246643976 1131768483 /nfs/dbraw/zinc/76/84/83/1131768483.db2.gz OQEQBEJVUPLEET-BBWFWOEESA-N 2 1 266.473 3.809 20 0 CHADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246643976 1131768489 /nfs/dbraw/zinc/76/84/89/1131768489.db2.gz OQEQBEJVUPLEET-BBWFWOEESA-N 2 1 266.473 3.809 20 0 CHADMP CC[C@@H](C)C[NH2+]CCC[N@@H+](CC)C1CCCCC1 ZINC001203042633 1131768608 /nfs/dbraw/zinc/76/86/08/1131768608.db2.gz AALAVEZEMJWTMT-OAHLLOKOSA-N 2 1 254.462 3.667 20 0 CHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+](C)C(C)(C)C)CC[NH2+]1 ZINC001246770092 1131781274 /nfs/dbraw/zinc/78/12/74/1131781274.db2.gz NMFAZRQPGAKSIB-ZBFHGGJFSA-N 2 1 278.415 3.658 20 0 CHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+](C)C(C)(C)C)CC[NH2+]1 ZINC001246770092 1131781278 /nfs/dbraw/zinc/78/12/78/1131781278.db2.gz NMFAZRQPGAKSIB-ZBFHGGJFSA-N 2 1 278.415 3.658 20 0 CHADMP CCC[C@@H](C)CC[C@@H](C)[N@@H+](CC)C1CC[NH2+]CC1 ZINC001246797305 1131783938 /nfs/dbraw/zinc/78/39/38/1131783938.db2.gz NQPJKMRYLACPAR-HUUCEWRRSA-N 2 1 254.462 3.665 20 0 CHADMP C[NH2+]CC[C@@H](C)[N@@H+](C)C1CCC(C(C)(C)C)CC1 ZINC001246852744 1131788555 /nfs/dbraw/zinc/78/85/55/1131788555.db2.gz GBVJUHBTTYIKOY-WLYUNCDWSA-N 2 1 254.462 3.521 20 0 CHADMP C[N@@H+](CC1CCCCC1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246847278 1131789662 /nfs/dbraw/zinc/78/96/62/1131789662.db2.gz RTQHYWRZLVJFLT-HZPDHXFCSA-N 2 1 266.473 3.665 20 0 CHADMP CC[C@@H]1C[C@@H]([N@@H+](C)[C@@H](C)c2ccc(Cl)cc2)CC[NH2+]1 ZINC001246850998 1131789834 /nfs/dbraw/zinc/78/98/34/1131789834.db2.gz XMGLSGINTPKIGR-MAZHCROVSA-N 2 1 280.843 3.863 20 0 CHADMP CC(C)C[C@@H](C)C[C@@H](C)[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001246905718 1131804966 /nfs/dbraw/zinc/80/49/66/1131804966.db2.gz FZKGXQYLKMZZLS-HUUCEWRRSA-N 2 1 254.462 3.521 20 0 CHADMP CCCCC[C@H](CCC)[N@@H+](C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246905616 1131805230 /nfs/dbraw/zinc/80/52/30/1131805230.db2.gz DGSGEDXGQMKWAX-JYJNAYRXSA-N 2 1 254.462 3.937 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@H+](C)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246908724 1131806203 /nfs/dbraw/zinc/80/62/03/1131806203.db2.gz MHOYLBKQIZKIRB-JHJVBQTASA-N 2 1 280.843 3.862 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@@H+](C)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246908724 1131806210 /nfs/dbraw/zinc/80/62/10/1131806210.db2.gz MHOYLBKQIZKIRB-JHJVBQTASA-N 2 1 280.843 3.862 20 0 CHADMP CC1([NH+]2CCCC2)CC[NH+](Cc2coc3ccccc23)CC1 ZINC001140785087 1131918737 /nfs/dbraw/zinc/91/87/37/1131918737.db2.gz MUZCPLOAXDDPHD-UHFFFAOYSA-N 2 1 298.430 3.883 20 0 CHADMP CC[N@H+](Cc1c[nH]c2cc[nH+]cc12)C1CCCCC1 ZINC001140799409 1131924292 /nfs/dbraw/zinc/92/42/92/1131924292.db2.gz CNMODYLJHXIPJQ-UHFFFAOYSA-N 2 1 257.381 3.718 20 0 CHADMP CC[N@@H+](Cc1c[nH]c2cc[nH+]cc12)C1CCCCC1 ZINC001140799409 1131924298 /nfs/dbraw/zinc/92/42/98/1131924298.db2.gz CNMODYLJHXIPJQ-UHFFFAOYSA-N 2 1 257.381 3.718 20 0 CHADMP Fc1ccccc1[C@@H]1CC[N@@H+](Cc2c[nH]c3ccncc23)C1 ZINC001140807138 1131929640 /nfs/dbraw/zinc/92/96/40/1131929640.db2.gz NOMLJLYNEWYQNH-CYBMUJFWSA-N 2 1 295.361 3.692 20 0 CHADMP Fc1ccccc1[C@@H]1CC[N@H+](Cc2cnc3cc[nH]cc2-3)C1 ZINC001140807138 1131929643 /nfs/dbraw/zinc/92/96/43/1131929643.db2.gz NOMLJLYNEWYQNH-CYBMUJFWSA-N 2 1 295.361 3.692 20 0 CHADMP Fc1ccccc1[C@@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140807138 1131929656 /nfs/dbraw/zinc/92/96/56/1131929656.db2.gz NOMLJLYNEWYQNH-CYBMUJFWSA-N 2 1 295.361 3.692 20 0 CHADMP Fc1ccccc1[C@@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140807138 1131929660 /nfs/dbraw/zinc/92/96/60/1131929660.db2.gz NOMLJLYNEWYQNH-CYBMUJFWSA-N 2 1 295.361 3.692 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000716727474 1132030418 /nfs/dbraw/zinc/03/04/18/1132030418.db2.gz LGTSGQBTJDKTNI-OJAHFUOMSA-N 2 1 298.474 3.818 20 0 CHADMP CC(C)=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716717197 1132030998 /nfs/dbraw/zinc/03/09/98/1132030998.db2.gz IWANFAWGMGKPRJ-OTWHNJEPSA-N 2 1 284.447 3.595 20 0 CHADMP Cc1cccc2c1CC[C@H]([NH2+]CC[NH+](C(C)C)C(C)C)C2 ZINC001171550226 1132051240 /nfs/dbraw/zinc/05/12/40/1132051240.db2.gz SNDIXFOTWJWUBE-SFHVURJKSA-N 2 1 288.479 3.561 20 0 CHADMP C[NH+]1C(C)(C)CC([NH2+]C2(c3ccccc3)CC2)CC1(C)C ZINC001171620216 1132065170 /nfs/dbraw/zinc/06/51/70/1132065170.db2.gz ZKFMZJPESMKOHU-UHFFFAOYSA-N 2 1 286.463 3.917 20 0 CHADMP C[NH+]1C(C)(C)CC([NH2+]Cc2ccc(F)cc2)CC1(C)C ZINC001171617696 1132065554 /nfs/dbraw/zinc/06/55/54/1132065554.db2.gz PQZUEFSMTHAIMA-UHFFFAOYSA-N 2 1 278.415 3.567 20 0 CHADMP Cc1ccc(F)cc1C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171620137 1132066037 /nfs/dbraw/zinc/06/60/37/1132066037.db2.gz UWZYYQGNSHEYFX-UHFFFAOYSA-N 2 1 292.442 3.875 20 0 CHADMP Cc1ccc(CC[C@H](C)[N@H+](CC[NH3+])Cc2ccccc2)cc1 ZINC001171654771 1132069119 /nfs/dbraw/zinc/06/91/19/1132069119.db2.gz ANRJCTOYTDCMGI-SFHVURJKSA-N 2 1 296.458 3.777 20 0 CHADMP Cc1ccc(CC[C@H](C)[N@@H+](CC[NH3+])Cc2ccccc2)cc1 ZINC001171654771 1132069127 /nfs/dbraw/zinc/06/91/27/1132069127.db2.gz ANRJCTOYTDCMGI-SFHVURJKSA-N 2 1 296.458 3.777 20 0 CHADMP Cc1ccc(CC[C@H](C)[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC001171674994 1132076886 /nfs/dbraw/zinc/07/68/86/1132076886.db2.gz OSMXTKJRWILHHA-SFHVURJKSA-N 2 1 288.479 3.734 20 0 CHADMP Cc1ccc(CC[C@@H](C)[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC001171674993 1132077429 /nfs/dbraw/zinc/07/74/29/1132077429.db2.gz OSMXTKJRWILHHA-GOSISDBHSA-N 2 1 288.479 3.734 20 0 CHADMP C[N@@H+](CC(C)(C)C)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171637463 1132082635 /nfs/dbraw/zinc/08/26/35/1132082635.db2.gz OKAHFUPDFAMREZ-UHFFFAOYSA-N 2 1 254.462 3.616 20 0 CHADMP C[N@H+](Cc1ccsc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639504 1132082801 /nfs/dbraw/zinc/08/28/01/1132082801.db2.gz MYZKRSCPDCFMQV-UHFFFAOYSA-N 2 1 280.481 3.831 20 0 CHADMP C[N@@H+](Cc1ccsc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639504 1132082808 /nfs/dbraw/zinc/08/28/08/1132082808.db2.gz MYZKRSCPDCFMQV-UHFFFAOYSA-N 2 1 280.481 3.831 20 0 CHADMP CC/C=C/[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974210 1132117745 /nfs/dbraw/zinc/11/77/45/1132117745.db2.gz DSSTUMRZJAVWPY-UPKKBRNCSA-N 2 1 272.436 3.943 20 0 CHADMP CC1(C)C[C@H]([NH2+][C@H]2C[C@@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001171971731 1132118073 /nfs/dbraw/zinc/11/80/73/1132118073.db2.gz JRYDTSVAQDNKQL-ZACQAIPSSA-N 2 1 290.426 3.520 20 0 CHADMP CC/C=C\CCCCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206153243 1132118545 /nfs/dbraw/zinc/11/85/45/1132118545.db2.gz CJEWAYISRCDOKD-HFZJXRFXSA-N 2 1 270.436 3.664 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206153243 1132118551 /nfs/dbraw/zinc/11/85/51/1132118551.db2.gz CJEWAYISRCDOKD-HFZJXRFXSA-N 2 1 270.436 3.664 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(F)cc1Cl)C2 ZINC001172101672 1132122771 /nfs/dbraw/zinc/12/27/71/1132122771.db2.gz HLZSACXWJWZPLR-QKDCVEJESA-N 2 1 296.817 3.584 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(F)cc1Cl)C2 ZINC001172101672 1132122774 /nfs/dbraw/zinc/12/27/74/1132122774.db2.gz HLZSACXWJWZPLR-QKDCVEJESA-N 2 1 296.817 3.584 20 0 CHADMP CC(C)[N@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172079514 1132123302 /nfs/dbraw/zinc/12/33/02/1132123302.db2.gz ORYPUGBBHJSJQG-BWTSREIZSA-N 2 1 286.463 3.912 20 0 CHADMP CC(C)[N@@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172079514 1132123305 /nfs/dbraw/zinc/12/33/05/1132123305.db2.gz ORYPUGBBHJSJQG-BWTSREIZSA-N 2 1 286.463 3.912 20 0 CHADMP CC(C)[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172079514 1132123309 /nfs/dbraw/zinc/12/33/09/1132123309.db2.gz ORYPUGBBHJSJQG-BWTSREIZSA-N 2 1 286.463 3.912 20 0 CHADMP CC(C)[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172079514 1132123312 /nfs/dbraw/zinc/12/33/12/1132123312.db2.gz ORYPUGBBHJSJQG-BWTSREIZSA-N 2 1 286.463 3.912 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(F)cc(Cl)c1)C2 ZINC001172098837 1132123342 /nfs/dbraw/zinc/12/33/42/1132123342.db2.gz GTGQJFJCDOONCG-MUJYYYPQSA-N 2 1 296.817 3.584 20 0 CHADMP CC[NH+](CC)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172079995 1132123506 /nfs/dbraw/zinc/12/35/06/1132123506.db2.gz RVYQXRPPEIRKSK-REPLKXPHSA-N 2 1 286.463 3.914 20 0 CHADMP CC[NH+](CC)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172079995 1132123508 /nfs/dbraw/zinc/12/35/08/1132123508.db2.gz RVYQXRPPEIRKSK-REPLKXPHSA-N 2 1 286.463 3.914 20 0 CHADMP C[C@@H]1C[C@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172061437 1132125333 /nfs/dbraw/zinc/12/53/33/1132125333.db2.gz HFFCJWOIHJGZHJ-JUSBFGHESA-N 2 1 298.474 3.818 20 0 CHADMP CCC1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172100550 1132125562 /nfs/dbraw/zinc/12/55/62/1132125562.db2.gz DXWOXCPUEQMQOF-NWJOVSIXSA-N 2 1 264.457 3.560 20 0 CHADMP CCC1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172100550 1132125567 /nfs/dbraw/zinc/12/55/67/1132125567.db2.gz DXWOXCPUEQMQOF-NWJOVSIXSA-N 2 1 264.457 3.560 20 0 CHADMP C[NH+](Cc1ccc(Cl)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172125926 1132126158 /nfs/dbraw/zinc/12/61/58/1132126158.db2.gz RVWUDDLTHQFYPW-BJWYYQGGSA-N 2 1 292.854 3.787 20 0 CHADMP C[NH+](Cc1ccc(Cl)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172125926 1132126159 /nfs/dbraw/zinc/12/61/59/1132126159.db2.gz RVWUDDLTHQFYPW-BJWYYQGGSA-N 2 1 292.854 3.787 20 0 CHADMP C[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069960 1132126369 /nfs/dbraw/zinc/12/63/69/1132126369.db2.gz YTLDDSAZDXJLBI-RXABAKJHSA-N 2 1 284.447 3.570 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCC1CCCCC1)C2 ZINC001172102012 1132127572 /nfs/dbraw/zinc/12/75/72/1132127572.db2.gz JGJNXNKODBMEBR-BJWYYQGGSA-N 2 1 264.457 3.562 20 0 CHADMP CCc1ccc(C[N@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172129424 1132128295 /nfs/dbraw/zinc/12/82/95/1132128295.db2.gz ZNMDZPAXNSUBSC-BWTSREIZSA-N 2 1 286.463 3.696 20 0 CHADMP CCc1ccc(C[N@@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172129424 1132128301 /nfs/dbraw/zinc/12/83/01/1132128301.db2.gz ZNMDZPAXNSUBSC-BWTSREIZSA-N 2 1 286.463 3.696 20 0 CHADMP CCc1ccc(C[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172129424 1132128304 /nfs/dbraw/zinc/12/83/04/1132128304.db2.gz ZNMDZPAXNSUBSC-BWTSREIZSA-N 2 1 286.463 3.696 20 0 CHADMP CCc1ccc(C[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172129424 1132128307 /nfs/dbraw/zinc/12/83/07/1132128307.db2.gz ZNMDZPAXNSUBSC-BWTSREIZSA-N 2 1 286.463 3.696 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCC1CCCCCC1)C2 ZINC001172107445 1132129028 /nfs/dbraw/zinc/12/90/28/1132129028.db2.gz XRWHHBSDFSHBNQ-BCDXTJNWSA-N 2 1 278.484 3.952 20 0 CHADMP CCCc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172106254 1132129267 /nfs/dbraw/zinc/12/92/67/1132129267.db2.gz OEKRFSXHSTZHPD-REPLKXPHSA-N 2 1 286.463 3.744 20 0 CHADMP Cc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC001172108448 1132130264 /nfs/dbraw/zinc/13/02/64/1132130264.db2.gz WLMYGAJHOJXLRU-MUJYYYPQSA-N 2 1 292.854 3.753 20 0 CHADMP Cc1ccc(Cl)cc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104006 1132130500 /nfs/dbraw/zinc/13/05/00/1132130500.db2.gz YQFXGNVSPLNNPV-BJWYYQGGSA-N 2 1 292.854 3.753 20 0 CHADMP CCCCCC[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172105812 1132130982 /nfs/dbraw/zinc/13/09/82/1132130982.db2.gz KRRIDPYFDRGVAW-WCXIOVBPSA-N 2 1 266.473 3.950 20 0 CHADMP CCCCCC[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172105812 1132130985 /nfs/dbraw/zinc/13/09/85/1132130985.db2.gz KRRIDPYFDRGVAW-WCXIOVBPSA-N 2 1 266.473 3.950 20 0 CHADMP C[N@H+](CCCc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120075 1132131507 /nfs/dbraw/zinc/13/15/07/1132131507.db2.gz CBBDIWDXHLVJSF-BWTSREIZSA-N 2 1 286.463 3.566 20 0 CHADMP C[N@@H+](CCCc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120075 1132131512 /nfs/dbraw/zinc/13/15/12/1132131512.db2.gz CBBDIWDXHLVJSF-BWTSREIZSA-N 2 1 286.463 3.566 20 0 CHADMP C[NH+](CCCc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172120075 1132131517 /nfs/dbraw/zinc/13/15/17/1132131517.db2.gz CBBDIWDXHLVJSF-BWTSREIZSA-N 2 1 286.463 3.566 20 0 CHADMP C[NH+](CCCc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172120075 1132131523 /nfs/dbraw/zinc/13/15/23/1132131523.db2.gz CBBDIWDXHLVJSF-BWTSREIZSA-N 2 1 286.463 3.566 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC13CCC(F)(F)CC3)C2 ZINC001172113679 1132132307 /nfs/dbraw/zinc/13/23/07/1132132307.db2.gz IOMSHUFQVHFURZ-XGUBFFRZSA-N 2 1 298.421 3.559 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC13CCC(F)(F)CC3)C2 ZINC001172113679 1132132309 /nfs/dbraw/zinc/13/23/09/1132132309.db2.gz IOMSHUFQVHFURZ-XGUBFFRZSA-N 2 1 298.421 3.559 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1CCCc3ccccc31)C2 ZINC001172111571 1132132711 /nfs/dbraw/zinc/13/27/11/1132132711.db2.gz VMFKOEZHUPYPTE-MKXGPGLRSA-N 2 1 298.474 3.711 20 0 CHADMP CC(C)C[NH+](CC(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172115284 1132132954 /nfs/dbraw/zinc/13/29/54/1132132954.db2.gz WAYKVJIQDUNBPF-BJWYYQGGSA-N 2 1 266.473 3.616 20 0 CHADMP CC(C)C[NH+](CC(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172115284 1132132955 /nfs/dbraw/zinc/13/29/55/1132132955.db2.gz WAYKVJIQDUNBPF-BJWYYQGGSA-N 2 1 266.473 3.616 20 0 CHADMP CC[N@H+](C1CCCCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113751 1132133029 /nfs/dbraw/zinc/13/30/29/1132133029.db2.gz LHCNUTUCWVTIEF-BJWYYQGGSA-N 2 1 264.457 3.656 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccncc1 ZINC001172113600 1132133227 /nfs/dbraw/zinc/13/32/27/1132133227.db2.gz DSRNFHWLIDSUEK-FJIDUMEYSA-N 2 1 287.451 3.528 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC001172113600 1132133230 /nfs/dbraw/zinc/13/32/30/1132133230.db2.gz DSRNFHWLIDSUEK-FJIDUMEYSA-N 2 1 287.451 3.528 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc3ccoc3c1)C2 ZINC001172113332 1132133248 /nfs/dbraw/zinc/13/32/48/1132133248.db2.gz CGNVJKKLSIFJHA-BJWYYQGGSA-N 2 1 284.403 3.538 20 0 CHADMP Cc1ccccc1C(C)(C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172112691 1132133933 /nfs/dbraw/zinc/13/39/33/1132133933.db2.gz ZKMHUXUDUCHQKB-OSYLJGHBSA-N 2 1 286.463 3.835 20 0 CHADMP Cc1ccccc1C(C)(C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112691 1132133938 /nfs/dbraw/zinc/13/39/38/1132133938.db2.gz ZKMHUXUDUCHQKB-OSYLJGHBSA-N 2 1 286.463 3.835 20 0 CHADMP CC[C@@H](C)OCC[C@H](C)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001172315214 1132156545 /nfs/dbraw/zinc/15/65/45/1132156545.db2.gz GFSZWDPFJGCECY-JKSUJKDBSA-N 2 1 284.488 3.564 20 0 CHADMP CC[C@@H](C)OCC[C@@H](C)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172326972 1132162136 /nfs/dbraw/zinc/16/21/36/1132162136.db2.gz CVRSJSLHJRYMIJ-JOCBIADPSA-N 2 1 296.499 3.562 20 0 CHADMP CCCCCC[C@@H](CCC)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001172380184 1132171604 /nfs/dbraw/zinc/17/16/04/1132171604.db2.gz ZPEYSDMHRSRTLL-HZPDHXFCSA-N 2 1 254.462 3.667 20 0 CHADMP C[C@@H]1CC[C@@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H]1C ZINC001172366990 1132191939 /nfs/dbraw/zinc/19/19/39/1132191939.db2.gz FAUZZIQDJZXELA-RTKZEXODSA-N 2 1 278.484 3.793 20 0 CHADMP CC[C@H](CC(C)C)[NH+]1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001172392333 1132215974 /nfs/dbraw/zinc/21/59/74/1132215974.db2.gz CYQSAZLWWRWTJI-QGZVFWFLSA-N 2 1 292.442 3.900 20 0 CHADMP CC[C@H](CC(C)C)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001172393732 1132217318 /nfs/dbraw/zinc/21/73/18/1132217318.db2.gz KSGOJHXUYGYJBT-SJORKVTESA-N 2 1 266.473 3.665 20 0 CHADMP CC[C@H](CC(C)C)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001172393732 1132217322 /nfs/dbraw/zinc/21/73/22/1132217322.db2.gz KSGOJHXUYGYJBT-SJORKVTESA-N 2 1 266.473 3.665 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172553367 1132265032 /nfs/dbraw/zinc/26/50/32/1132265032.db2.gz MJZRVLHNGOQYGQ-LTFPLMDUSA-N 2 1 298.474 3.928 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172553367 1132265037 /nfs/dbraw/zinc/26/50/37/1132265037.db2.gz MJZRVLHNGOQYGQ-LTFPLMDUSA-N 2 1 298.474 3.928 20 0 CHADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172562161 1132269105 /nfs/dbraw/zinc/26/91/05/1132269105.db2.gz VLGMJNMIERTBDC-RTBURBONSA-N 2 1 286.463 3.740 20 0 CHADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H]3CC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172570835 1132272151 /nfs/dbraw/zinc/27/21/51/1132272151.db2.gz XTHOEDAACKOKHX-ZRNYENFQSA-N 2 1 298.474 3.596 20 0 CHADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H]3CC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172570835 1132272153 /nfs/dbraw/zinc/27/21/53/1132272153.db2.gz XTHOEDAACKOKHX-ZRNYENFQSA-N 2 1 298.474 3.596 20 0 CHADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172570835 1132272156 /nfs/dbraw/zinc/27/21/56/1132272156.db2.gz XTHOEDAACKOKHX-ZRNYENFQSA-N 2 1 298.474 3.596 20 0 CHADMP C[NH+](C)CCC[N@@H+](C)[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172546731 1132281573 /nfs/dbraw/zinc/28/15/73/1132281573.db2.gz QKCGEWHBJQBFCD-QZTJIDSGSA-N 2 1 274.452 3.596 20 0 CHADMP CC1(C)CC([N@H+]2CCCC[C@H](CCC[NH3+])C2)CC(C)(C)O1 ZINC001172654354 1132289433 /nfs/dbraw/zinc/28/94/33/1132289433.db2.gz CSGQRCSWALOONV-OAHLLOKOSA-N 2 1 296.499 3.564 20 0 CHADMP CCCC[N@H+](CC)CC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172709141 1132308037 /nfs/dbraw/zinc/30/80/37/1132308037.db2.gz SPHHBGGICYHZGB-QGZVFWFLSA-N 2 1 294.870 3.519 20 0 CHADMP CCCC[N@@H+](CC)CC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172709141 1132308042 /nfs/dbraw/zinc/30/80/42/1132308042.db2.gz SPHHBGGICYHZGB-QGZVFWFLSA-N 2 1 294.870 3.519 20 0 CHADMP Cc1ccc2c(c1)C[C@H]([NH2+]CC[NH+](C(C)C)C(C)C)CC2 ZINC001172824493 1132322416 /nfs/dbraw/zinc/32/24/16/1132322416.db2.gz YZYQYZROGLGRAF-LJQANCHMSA-N 2 1 288.479 3.561 20 0 CHADMP CCN1CCC([N@@H+](C)Cc2ccc(CC(C)C)cc2)CC1 ZINC001231787503 1132363832 /nfs/dbraw/zinc/36/38/32/1132363832.db2.gz DHSCSQKCYVPBJB-UHFFFAOYSA-N 2 1 288.479 3.801 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(CC(C)C)cc2)CC1 ZINC001231787503 1132363842 /nfs/dbraw/zinc/36/38/42/1132363842.db2.gz DHSCSQKCYVPBJB-UHFFFAOYSA-N 2 1 288.479 3.801 20 0 CHADMP C[N@H+](Cc1ccccc1-c1ccccc1)C1CC[NH+](C)CC1 ZINC001142331135 1132371742 /nfs/dbraw/zinc/37/17/42/1132371742.db2.gz KGPJHANPQGIXKC-UHFFFAOYSA-N 2 1 294.442 3.880 20 0 CHADMP C[N@@H+](Cc1ccccc1-c1ccccc1)C1CC[NH+](C)CC1 ZINC001142331135 1132371749 /nfs/dbraw/zinc/37/17/49/1132371749.db2.gz KGPJHANPQGIXKC-UHFFFAOYSA-N 2 1 294.442 3.880 20 0 CHADMP CC[NH+](CC)C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001173108453 1132392622 /nfs/dbraw/zinc/39/26/22/1132392622.db2.gz KZOWIKVIUDCZBS-UHFFFAOYSA-N 2 1 274.452 3.771 20 0 CHADMP CC[NH+](CC)C1CCC([N@@H+](C)Cc2cccs2)CC1 ZINC001173111905 1132393471 /nfs/dbraw/zinc/39/34/71/1132393471.db2.gz MYPFSPICRPXMGK-UHFFFAOYSA-N 2 1 280.481 3.833 20 0 CHADMP Cc1c[nH+]c(CC[NH3+])n1C1CCC2(CCCCC2)CC1 ZINC001173114856 1132393960 /nfs/dbraw/zinc/39/39/60/1132393960.db2.gz KEKNXZRWQDQSTO-UHFFFAOYSA-N 2 1 275.440 3.758 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2Cc3ccc(F)cc3C2)CC1 ZINC001173114585 1132394178 /nfs/dbraw/zinc/39/41/78/1132394178.db2.gz QBFFXUHRFMHRLP-UHFFFAOYSA-N 2 1 290.426 3.794 20 0 CHADMP CC[NH+](CC)C1CCC([N@@H+](Cc2ccco2)C2CC2)CC1 ZINC001173113635 1132394210 /nfs/dbraw/zinc/39/42/10/1132394210.db2.gz YPGKZXYSQJIKIL-UHFFFAOYSA-N 2 1 290.451 3.897 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](C)C[C@@H]2C)CC1 ZINC001173114437 1132394376 /nfs/dbraw/zinc/39/43/76/1132394376.db2.gz KCBUJRAKFLQPOX-XNIRIUNOSA-N 2 1 266.473 3.760 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H]3CCC[C@H]3C2)CC1 ZINC001173110517 1132394751 /nfs/dbraw/zinc/39/47/51/1132394751.db2.gz UXUYAEDSJUHSST-VEZWFGLTSA-N 2 1 278.484 3.761 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1CCC2(CCCCC2)CC1 ZINC001173116047 1132395279 /nfs/dbraw/zinc/39/52/79/1132395279.db2.gz NRPZGODSKKKTGE-KRWDZBQOSA-N 2 1 278.484 3.953 20 0 CHADMP C[C@@H](CC(c1ccccc1)c1ccccc1)[NH2+]C1(C[NH3+])CC1 ZINC001173213266 1132416430 /nfs/dbraw/zinc/41/64/30/1132416430.db2.gz DYCWGUVOGMKUAH-INIZCTEOSA-N 2 1 294.442 3.678 20 0 CHADMP CCCC[C@H](CC(C)C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001173251006 1132421085 /nfs/dbraw/zinc/42/10/85/1132421085.db2.gz XLZDXFOZDUWJTC-IAGOWNOFSA-N 2 1 268.489 3.913 20 0 CHADMP CCCC[C@@H](CC(C)C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001173251564 1132421155 /nfs/dbraw/zinc/42/11/55/1132421155.db2.gz BRBJFXDLLKARCX-INIZCTEOSA-N 2 1 266.473 3.808 20 0 CHADMP CCCC[C@@H](CC(C)C)n1cc[nH+]c1CCC[NH3+] ZINC001173258364 1132426432 /nfs/dbraw/zinc/42/64/32/1132426432.db2.gz SFCZSKJPMYFPOI-AWEZNQCLSA-N 2 1 251.418 3.552 20 0 CHADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000842471733 1132432726 /nfs/dbraw/zinc/43/27/26/1132432726.db2.gz VXZNIHMAGKTFDY-QGZVFWFLSA-N 2 1 260.425 3.733 20 0 CHADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000842471659 1132433350 /nfs/dbraw/zinc/43/33/50/1132433350.db2.gz PHYQWNRKJORYTC-QGZVFWFLSA-N 2 1 278.415 3.872 20 0 CHADMP C[C@@H]1c2ccccc2CC[N@@H+]1CCCCCCC[NH3+] ZINC000842471816 1132433732 /nfs/dbraw/zinc/43/37/32/1132433732.db2.gz BGSNERFNAMBBLO-OAHLLOKOSA-N 2 1 260.425 3.515 20 0 CHADMP CC[C@H]1CC[C@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173269599 1132434049 /nfs/dbraw/zinc/43/40/49/1132434049.db2.gz JCTJVDLLYIYLQK-OTRWWLKZSA-N 2 1 264.457 3.690 20 0 CHADMP CCc1ccc(C[C@H](C)[N@@H+](C)C2CC[NH+](CC)CC2)cc1 ZINC001173242780 1132442318 /nfs/dbraw/zinc/44/23/18/1132442318.db2.gz IGXJKSZBHKYPLL-INIZCTEOSA-N 2 1 288.479 3.596 20 0 CHADMP CCc1ccc(C[C@H](C)[N@H+](C)C2CC[NH+](CC)CC2)cc1 ZINC001173242780 1132442319 /nfs/dbraw/zinc/44/23/19/1132442319.db2.gz IGXJKSZBHKYPLL-INIZCTEOSA-N 2 1 288.479 3.596 20 0 CHADMP CC[C@@H]1CC[C@@H](N(c2[nH+]cccc2C)C2CC[NH2+]CC2)C1 ZINC001173282011 1132454980 /nfs/dbraw/zinc/45/49/80/1132454980.db2.gz CIVGYXDWPLSBSK-NVXWUHKLSA-N 2 1 287.451 3.527 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCC3(CCCCC3)C2)C1 ZINC001173350934 1132476202 /nfs/dbraw/zinc/47/62/02/1132476202.db2.gz YOVLJBUGDPBNJU-IRXDYDNUSA-N 2 1 278.484 3.811 20 0 CHADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc2ccccc2c1 ZINC000843054151 1132494566 /nfs/dbraw/zinc/49/45/66/1132494566.db2.gz FTMBIJRJYKWARH-YQQQUEKLSA-N 2 1 280.415 3.684 20 0 CHADMP Clc1csc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000843126074 1132496457 /nfs/dbraw/zinc/49/64/57/1132496457.db2.gz FSSNXQZKITZOMV-QWHCGFSZSA-N 2 1 298.883 3.613 20 0 CHADMP Cc1cc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)[nH+]c2ccccc12 ZINC001155026436 1132637215 /nfs/dbraw/zinc/63/72/15/1132637215.db2.gz SZJFLEGQGXQLHS-GJZGRUSLSA-N 2 1 283.419 3.591 20 0 CHADMP Cc1ccc2c(C)cc(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)[nH+]c2c1C ZINC001155588118 1132662590 /nfs/dbraw/zinc/66/25/90/1132662590.db2.gz PUNTWSNLUJNEMX-PVAVHDDUSA-N 2 1 295.430 3.570 20 0 CHADMP CC[NH+](CC)c1ccc(NC=C2CC[NH2+]CC2)c(C)c1 ZINC001159656057 1132884764 /nfs/dbraw/zinc/88/47/64/1132884764.db2.gz OBJHUVQTNPYNPG-UHFFFAOYSA-N 2 1 273.424 3.520 20 0 CHADMP Cc1cc[nH+]c2cc(NC[C@H]3CCC[NH2+]C[C@H]3C)ccc12 ZINC001162465200 1133079637 /nfs/dbraw/zinc/07/96/37/1133079637.db2.gz DOXIGYPUMLMTCN-HUUCEWRRSA-N 2 1 283.419 3.591 20 0 CHADMP C[N@H+]1CC[C@@H](c2ccc(NC(=[NH2+])C(C)(C)C)cc2)C1 ZINC001162667206 1133103029 /nfs/dbraw/zinc/10/30/29/1133103029.db2.gz XQDPXLAMZMFYSS-CYBMUJFWSA-N 2 1 259.397 3.541 20 0 CHADMP C[N@@H+]1CCC[C@H](CCNc2cc(C(C)(C)C)cc[nH+]2)C1 ZINC001165290277 1133236991 /nfs/dbraw/zinc/23/69/91/1133236991.db2.gz RMXGLAFXODFZDB-CQSZACIVSA-N 2 1 275.440 3.523 20 0 CHADMP C[N@H+]1CCC[C@H](CCNc2cc(C(C)(C)C)cc[nH+]2)C1 ZINC001165290277 1133236995 /nfs/dbraw/zinc/23/69/95/1133236995.db2.gz RMXGLAFXODFZDB-CQSZACIVSA-N 2 1 275.440 3.523 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CCC2CC=CC2)CC[N@@H+]1Cc1ccccc1 ZINC001203639674 1133345730 /nfs/dbraw/zinc/34/57/30/1133345730.db2.gz PFNKZSDPVBNCFN-XLIONFOSSA-N 2 1 298.474 3.985 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CCC2CC=CC2)CC[N@H+]1Cc1ccccc1 ZINC001203639674 1133345736 /nfs/dbraw/zinc/34/57/36/1133345736.db2.gz PFNKZSDPVBNCFN-XLIONFOSSA-N 2 1 298.474 3.985 20 0 CHADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3)C[C@@H]2C1 ZINC001204000124 1133398303 /nfs/dbraw/zinc/39/83/03/1133398303.db2.gz VOWKZNBECGSACS-BGYRXZFFSA-N 2 1 294.442 3.613 20 0 CHADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4ccccc4c3)C[C@@H]2C1 ZINC001204000124 1133398297 /nfs/dbraw/zinc/39/82/97/1133398297.db2.gz VOWKZNBECGSACS-BGYRXZFFSA-N 2 1 294.442 3.613 20 0 CHADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4ccccc4c3)C[C@@H]2C1 ZINC001204000124 1133398306 /nfs/dbraw/zinc/39/83/06/1133398306.db2.gz VOWKZNBECGSACS-BGYRXZFFSA-N 2 1 294.442 3.613 20 0 CHADMP Cc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)oc1C ZINC001204535283 1133458855 /nfs/dbraw/zinc/45/88/55/1133458855.db2.gz PNVOFMBSWNQKHY-QGZVFWFLSA-N 2 1 290.451 3.737 20 0 CHADMP Cc1cc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)oc1C ZINC001204535283 1133458859 /nfs/dbraw/zinc/45/88/59/1133458859.db2.gz PNVOFMBSWNQKHY-QGZVFWFLSA-N 2 1 290.451 3.737 20 0 CHADMP CC(C)(C)[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC001204604214 1133467284 /nfs/dbraw/zinc/46/72/84/1133467284.db2.gz HECZYHYLTDTHEY-INIZCTEOSA-N 2 1 274.452 3.677 20 0 CHADMP Cc1ccc(Cl)cc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204742753 1133481016 /nfs/dbraw/zinc/48/10/16/1133481016.db2.gz SVZNUVBPEGTQBP-UHFFFAOYSA-N 2 1 292.854 3.614 20 0 CHADMP Cc1cccc([C@@H]2CCC[N@H+]2Cc2cccc(C[NH3+])c2)c1 ZINC001204848673 1133491735 /nfs/dbraw/zinc/49/17/35/1133491735.db2.gz QVCJXFBAERXAHU-IBGZPJMESA-N 2 1 280.415 3.791 20 0 CHADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001204877504 1133495334 /nfs/dbraw/zinc/49/53/34/1133495334.db2.gz KYAREGYWBFMHIB-QAPCUYQASA-N 2 1 288.479 3.586 20 0 CHADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CCC[C@H]([NH3+])C1 ZINC001204877504 1133495338 /nfs/dbraw/zinc/49/53/38/1133495338.db2.gz KYAREGYWBFMHIB-QAPCUYQASA-N 2 1 288.479 3.586 20 0 CHADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@@](C)([NH3+])C1 ZINC001204938121 1133503316 /nfs/dbraw/zinc/50/33/16/1133503316.db2.gz JAFFRTUXNJRMMV-LJQANCHMSA-N 2 1 299.462 3.779 20 0 CHADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CCC[C@@](C)([NH3+])C1 ZINC001204938121 1133503321 /nfs/dbraw/zinc/50/33/21/1133503321.db2.gz JAFFRTUXNJRMMV-LJQANCHMSA-N 2 1 299.462 3.779 20 0 CHADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC001205093883 1133528141 /nfs/dbraw/zinc/52/81/41/1133528141.db2.gz HHXZDTPJAWTLIE-QGZVFWFLSA-N 2 1 296.414 3.792 20 0 CHADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc(-c3ccsc3)c2)CC1 ZINC001205110468 1133530706 /nfs/dbraw/zinc/53/07/06/1133530706.db2.gz SUHYMYYOBIDEBF-KRWDZBQOSA-N 2 1 286.444 3.728 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3CCC[C@@H]([NH3+])CC3)cc2)c1 ZINC001205116574 1133532280 /nfs/dbraw/zinc/53/22/80/1133532280.db2.gz DABXENCTFBAFDF-HXUWFJFHSA-N 2 1 294.442 3.975 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)Cc2ccccc21 ZINC001205164437 1133539414 /nfs/dbraw/zinc/53/94/14/1133539414.db2.gz GBOHWPMDKIWUCB-CYBMUJFWSA-N 2 1 298.455 3.513 20 0 CHADMP COc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c2ccccc12 ZINC001205265238 1133551505 /nfs/dbraw/zinc/55/15/05/1133551505.db2.gz OWCCPMVAYSOYOL-IBGZPJMESA-N 2 1 298.430 3.552 20 0 CHADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C3CC3)c(C3CC3)c2)C1 ZINC001205385787 1133572268 /nfs/dbraw/zinc/57/22/68/1133572268.db2.gz QJJVUZHWRNXPHB-MRXNPFEDSA-N 2 1 298.474 3.825 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000084981675 1133582405 /nfs/dbraw/zinc/58/24/05/1133582405.db2.gz ZSRYVRFTBWIUER-ZIFCJYIRSA-N 2 1 288.479 3.923 20 0 CHADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc3ccccc3s2)CC1 ZINC001205560078 1133588068 /nfs/dbraw/zinc/58/80/68/1133588068.db2.gz ZESSTZVWIZNEQY-INIZCTEOSA-N 2 1 292.423 3.554 20 0 CHADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc3ccccc3s2)CC1 ZINC001205560079 1133588519 /nfs/dbraw/zinc/58/85/19/1133588519.db2.gz ZESSTZVWIZNEQY-MRXNPFEDSA-N 2 1 292.423 3.554 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1 ZINC001205570588 1133589411 /nfs/dbraw/zinc/58/94/11/1133589411.db2.gz MDLSBBSAOZUSQU-SFHVURJKSA-N 2 1 292.442 3.682 20 0 CHADMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205570345 1133589745 /nfs/dbraw/zinc/58/97/45/1133589745.db2.gz IZFKMVAWNLDIBA-GOSISDBHSA-N 2 1 292.442 3.637 20 0 CHADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(C3CCC3)cc2)CC1 ZINC001205592815 1133592451 /nfs/dbraw/zinc/59/24/51/1133592451.db2.gz ZDWZLUICZLPDER-GOSISDBHSA-N 2 1 290.426 3.607 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc3[nH]ccc3c2)CC1 ZINC001205612323 1133595173 /nfs/dbraw/zinc/59/51/73/1133595173.db2.gz YHUGQERPXOJJHB-UHFFFAOYSA-N 2 1 299.462 3.864 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)CC[C@@H]1C[NH3+] ZINC001205639172 1133597795 /nfs/dbraw/zinc/59/77/95/1133597795.db2.gz WYKNWJHCXXXZMY-DOTOQJQBSA-N 2 1 298.430 3.753 20 0 CHADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(F)cc1Cl ZINC001205655153 1133599359 /nfs/dbraw/zinc/59/93/59/1133599359.db2.gz YWUNKUZPALJATG-DGCLKSJQSA-N 2 1 298.833 3.594 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](CC)C[C@H](C)C(C)(C)C ZINC001205684550 1133602846 /nfs/dbraw/zinc/60/28/46/1133602846.db2.gz HZXQZMWRPZIOKE-HNNXBMFYSA-N 2 1 256.478 3.722 20 0 CHADMP CC[N@@H+](CCC[NH+]1CCCC1)CC1(OC)CCCCCC1 ZINC001205692903 1133603699 /nfs/dbraw/zinc/60/36/99/1133603699.db2.gz NWMDDKVGVTVKFB-UHFFFAOYSA-N 2 1 296.499 3.534 20 0 CHADMP CCCCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CCC ZINC001205717825 1133606421 /nfs/dbraw/zinc/60/64/21/1133606421.db2.gz TZAOIIJEYHZSGF-CVEARBPZSA-N 2 1 254.462 3.809 20 0 CHADMP CCCCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CCC ZINC001205717825 1133606423 /nfs/dbraw/zinc/60/64/23/1133606423.db2.gz TZAOIIJEYHZSGF-CVEARBPZSA-N 2 1 254.462 3.809 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC001205807031 1133616478 /nfs/dbraw/zinc/61/64/78/1133616478.db2.gz XIKHYRTYSCYUDV-YOEHRIQHSA-N 2 1 274.452 3.543 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC001205807031 1133616480 /nfs/dbraw/zinc/61/64/80/1133616480.db2.gz XIKHYRTYSCYUDV-YOEHRIQHSA-N 2 1 274.452 3.543 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205880682 1133626194 /nfs/dbraw/zinc/62/61/94/1133626194.db2.gz OTTVHKOAJXJFSM-UZLBHIALSA-N 2 1 294.442 3.831 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205880682 1133626198 /nfs/dbraw/zinc/62/61/98/1133626198.db2.gz OTTVHKOAJXJFSM-UZLBHIALSA-N 2 1 294.442 3.831 20 0 CHADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1CC1(c2ccccc2)CCCC1 ZINC001205901779 1133628870 /nfs/dbraw/zinc/62/88/70/1133628870.db2.gz GFRWADXMHYEEQF-IAGOWNOFSA-N 2 1 286.463 3.558 20 0 CHADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC001205912741 1133629515 /nfs/dbraw/zinc/62/95/15/1133629515.db2.gz BXAVZNUJXQTKIR-HOCLYGCPSA-N 2 1 284.403 3.506 20 0 CHADMP Cc1ccc(Cl)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1F ZINC001205996563 1133638806 /nfs/dbraw/zinc/63/88/06/1133638806.db2.gz XHMVOSPLNGEWBR-CHWSQXEVSA-N 2 1 298.833 3.594 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccc(C3CCC3)cc2)CCC[C@@H]1C[NH3+] ZINC001206025394 1133642963 /nfs/dbraw/zinc/64/29/63/1133642963.db2.gz NVHUPNCMCFBRQZ-HNAYVOBHSA-N 2 1 286.463 3.761 20 0 CHADMP Cc1c(F)ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1Cl ZINC001206023241 1133643457 /nfs/dbraw/zinc/64/34/57/1133643457.db2.gz DTZGUKADROICDU-YPMHNXCESA-N 2 1 298.833 3.594 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2cccc3sccc32)CCC[C@@H]1C[NH3+] ZINC001206026925 1133644501 /nfs/dbraw/zinc/64/45/01/1133644501.db2.gz VCICTJWURHVKRH-ZIAGYGMSSA-N 2 1 288.460 3.708 20 0 CHADMP CSc1cc(C)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206035711 1133646501 /nfs/dbraw/zinc/64/65/01/1133646501.db2.gz CUTZWQATRQYHKA-GOEBONIOSA-N 2 1 292.492 3.524 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(C3CC3)c2)CCC[C@@H]1C[NH3+] ZINC001206036558 1133646548 /nfs/dbraw/zinc/64/65/48/1133646548.db2.gz LAACYMFMOZRDCV-CZUORRHYSA-N 2 1 290.426 3.510 20 0 CHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(F)c3ccoc32)CC1 ZINC001206324434 1133689723 /nfs/dbraw/zinc/68/97/23/1133689723.db2.gz BGSGOJXEOOFEQZ-QGZVFWFLSA-N 2 1 290.382 3.523 20 0 CHADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc3c2CCCC3)C1 ZINC001206564998 1133719725 /nfs/dbraw/zinc/71/97/25/1133719725.db2.gz SGRMLRFJSXUCHU-LJQANCHMSA-N 2 1 286.463 3.516 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206573446 1133720895 /nfs/dbraw/zinc/72/08/95/1133720895.db2.gz KUXKPZQEGUPPMI-KRWDZBQOSA-N 2 1 294.870 3.908 20 0 CHADMP CCc1cccc(C)c1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206574169 1133721138 /nfs/dbraw/zinc/72/11/38/1133721138.db2.gz PXUDJBWNDQNEDK-SFHVURJKSA-N 2 1 274.452 3.508 20 0 CHADMP CC(C)[N@@H+](Cc1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC001206581551 1133721664 /nfs/dbraw/zinc/72/16/64/1133721664.db2.gz KEBJYLAHYVKEFR-AWEZNQCLSA-N 2 1 298.833 3.832 20 0 CHADMP Cc1cccc(C)c1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206583350 1133721811 /nfs/dbraw/zinc/72/18/11/1133721811.db2.gz SXKZGPAJBVKEII-KRWDZBQOSA-N 2 1 274.452 3.656 20 0 CHADMP Cc1ccc([C@H](C)CC[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)o1 ZINC001206580942 1133721908 /nfs/dbraw/zinc/72/19/08/1133721908.db2.gz GNWAUIDVDOVEFQ-WBVHZDCISA-N 2 1 292.467 3.934 20 0 CHADMP Cc1ccc(C)c(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1 ZINC001206580922 1133722001 /nfs/dbraw/zinc/72/20/01/1133722001.db2.gz GMWKZIPSYATWGS-SFHVURJKSA-N 2 1 274.452 3.656 20 0 CHADMP CC(C)[N@H+](Cc1cccc(Cl)c1F)[C@@H]1CCC[NH2+]CC1 ZINC001206591306 1133723184 /nfs/dbraw/zinc/72/31/84/1133723184.db2.gz RCBMDJNYOBMSQX-CQSZACIVSA-N 2 1 298.833 3.832 20 0 CHADMP CC(C)[N@@H+](Cc1cccc(Cl)c1F)[C@@H]1CCC[NH2+]CC1 ZINC001206591306 1133723187 /nfs/dbraw/zinc/72/31/87/1133723187.db2.gz RCBMDJNYOBMSQX-CQSZACIVSA-N 2 1 298.833 3.832 20 0 CHADMP Cc1cccc2[nH]cc(C[N@H+](C(C)C)[C@H]3CCC[NH2+]CC3)c21 ZINC001206592180 1133724413 /nfs/dbraw/zinc/72/44/13/1133724413.db2.gz XYEMDMNFQYQYGQ-KRWDZBQOSA-N 2 1 299.462 3.829 20 0 CHADMP Cc1c(F)cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc1F ZINC001206599662 1133725720 /nfs/dbraw/zinc/72/57/20/1133725720.db2.gz UZZDEJBIQUTIHA-OAHLLOKOSA-N 2 1 296.405 3.626 20 0 CHADMP CC(C)(C)c1cccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206624888 1133729046 /nfs/dbraw/zinc/72/90/46/1133729046.db2.gz ZOFJXWFOSMPSDB-MRXNPFEDSA-N 2 1 274.452 3.545 20 0 CHADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC001206811214 1133750897 /nfs/dbraw/zinc/75/08/97/1133750897.db2.gz RUNLZVVCGYYFSE-GOEBONIOSA-N 2 1 272.436 3.513 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000164606877 1133758664 /nfs/dbraw/zinc/75/86/64/1133758664.db2.gz JABGKNXUBBIUEO-JKSUJKDBSA-N 2 1 285.435 3.754 20 0 CHADMP C[N@@H+](C1CC1)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001207261038 1133783553 /nfs/dbraw/zinc/78/35/53/1133783553.db2.gz JASJLKGOBDQZFD-UHFFFAOYSA-N 2 1 264.457 3.515 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@@H+]1CCCC[C@@H]1c1ccccc1F ZINC001207286492 1133788727 /nfs/dbraw/zinc/78/87/27/1133788727.db2.gz UQJZHEZRNLVPKN-QGZVFWFLSA-N 2 1 292.442 3.941 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@H+]1CCCC[C@@H]1c1ccccc1F ZINC001207286492 1133788732 /nfs/dbraw/zinc/78/87/32/1133788732.db2.gz UQJZHEZRNLVPKN-QGZVFWFLSA-N 2 1 292.442 3.941 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@H]1c1ccccc1F ZINC001207286498 1133788871 /nfs/dbraw/zinc/78/88/71/1133788871.db2.gz VFDZCKGXYAZZKZ-INIZCTEOSA-N 2 1 278.415 3.550 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@H]1c1ccccc1F ZINC001207286498 1133788876 /nfs/dbraw/zinc/78/88/76/1133788876.db2.gz VFDZCKGXYAZZKZ-INIZCTEOSA-N 2 1 278.415 3.550 20 0 CHADMP C[N@@H+](CCC1CC[NH+](C)CC1)Cc1ccc(Cl)cc1 ZINC001207485588 1133805458 /nfs/dbraw/zinc/80/54/58/1133805458.db2.gz XPTCKWIPQYCFQO-UHFFFAOYSA-N 2 1 280.843 3.504 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)CCc2ccc(F)cc2)CC1 ZINC001207518789 1133814404 /nfs/dbraw/zinc/81/44/04/1133814404.db2.gz SLRHXHUXMMPCBR-UHFFFAOYSA-N 2 1 292.442 3.565 20 0 CHADMP CC(C)c1ccc(CC[NH+]2CCC([NH+]3CCC3)CC2)cc1 ZINC001207522843 1133816110 /nfs/dbraw/zinc/81/61/10/1133816110.db2.gz PFWVRQIRFVUACZ-UHFFFAOYSA-N 2 1 286.463 3.523 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@@H+](C)C[C@H]1CCCC(C)(C)C1 ZINC001207738975 1133843438 /nfs/dbraw/zinc/84/34/38/1133843438.db2.gz SGOISWWPICYUGE-HNNXBMFYSA-N 2 1 268.489 3.722 20 0 CHADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC001208610022 1133919376 /nfs/dbraw/zinc/91/93/76/1133919376.db2.gz YALSCEFQJQIWKO-WMLDXEAASA-N 2 1 292.854 3.819 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC001208610022 1133919383 /nfs/dbraw/zinc/91/93/83/1133919383.db2.gz YALSCEFQJQIWKO-WMLDXEAASA-N 2 1 292.854 3.819 20 0 CHADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC001208610022 1133919387 /nfs/dbraw/zinc/91/93/87/1133919387.db2.gz YALSCEFQJQIWKO-WMLDXEAASA-N 2 1 292.854 3.819 20 0 CHADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC001208610022 1133919390 /nfs/dbraw/zinc/91/93/90/1133919390.db2.gz YALSCEFQJQIWKO-WMLDXEAASA-N 2 1 292.854 3.819 20 0 CHADMP C[C@@H](CC[N@@H+](C)CC1CC[NH+](C)CC1)CC(C)(C)C ZINC001208661939 1133923543 /nfs/dbraw/zinc/92/35/43/1133923543.db2.gz YRGYGPPSRYAYFH-HNNXBMFYSA-N 2 1 268.489 3.722 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCC34CCCCC4)C2)cc1 ZINC001208941149 1133966043 /nfs/dbraw/zinc/96/60/43/1133966043.db2.gz INTKICDMGWNXBE-LJQANCHMSA-N 2 1 298.474 3.917 20 0 CHADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CCC34CCCCC4)C2)cc1 ZINC001208941149 1133966045 /nfs/dbraw/zinc/96/60/45/1133966045.db2.gz INTKICDMGWNXBE-LJQANCHMSA-N 2 1 298.474 3.917 20 0 CHADMP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CCC34CCCCC4)C2)cc1 ZINC001208941149 1133966049 /nfs/dbraw/zinc/96/60/49/1133966049.db2.gz INTKICDMGWNXBE-LJQANCHMSA-N 2 1 298.474 3.917 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC[C@H]4CCC[C@@H]4C3)C2)cc1 ZINC001208943220 1133966185 /nfs/dbraw/zinc/96/61/85/1133966185.db2.gz SAPYMXCAWBJYSB-XUVXKRRUSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@H]4CCC[C@@H]4C3)C2)cc1 ZINC001208943220 1133966188 /nfs/dbraw/zinc/96/61/88/1133966188.db2.gz SAPYMXCAWBJYSB-XUVXKRRUSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@H]4CCC[C@@H]4C3)C2)cc1 ZINC001208943220 1133966190 /nfs/dbraw/zinc/96/61/90/1133966190.db2.gz SAPYMXCAWBJYSB-XUVXKRRUSA-N 2 1 298.474 3.631 20 0 CHADMP CC1(C)CC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208934709 1133966707 /nfs/dbraw/zinc/96/67/07/1133966707.db2.gz FYCFXPCEBHBXDL-SFHVURJKSA-N 2 1 286.463 3.631 20 0 CHADMP CC1(C)CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208934709 1133966712 /nfs/dbraw/zinc/96/67/12/1133966712.db2.gz FYCFXPCEBHBXDL-SFHVURJKSA-N 2 1 286.463 3.631 20 0 CHADMP CC1(C)CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208934709 1133966717 /nfs/dbraw/zinc/96/67/17/1133966717.db2.gz FYCFXPCEBHBXDL-SFHVURJKSA-N 2 1 286.463 3.631 20 0 CHADMP C[C@@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H]1C ZINC001208951104 1133967963 /nfs/dbraw/zinc/96/79/63/1133967963.db2.gz YPKHQCALBAANDQ-LMMKCTJWSA-N 2 1 286.463 3.629 20 0 CHADMP C[C@@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1C ZINC001208951104 1133967966 /nfs/dbraw/zinc/96/79/66/1133967966.db2.gz YPKHQCALBAANDQ-LMMKCTJWSA-N 2 1 286.463 3.629 20 0 CHADMP C[C@@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1C ZINC001208951104 1133967967 /nfs/dbraw/zinc/96/79/67/1133967967.db2.gz YPKHQCALBAANDQ-LMMKCTJWSA-N 2 1 286.463 3.629 20 0 CHADMP C[C@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001208943272 1133968318 /nfs/dbraw/zinc/96/83/18/1133968318.db2.gz UBUHSGIVBMAJMG-HKUYNNGSSA-N 2 1 286.463 3.631 20 0 CHADMP C[C@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208943272 1133968320 /nfs/dbraw/zinc/96/83/20/1133968320.db2.gz UBUHSGIVBMAJMG-HKUYNNGSSA-N 2 1 286.463 3.631 20 0 CHADMP C[C@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208943272 1133968325 /nfs/dbraw/zinc/96/83/25/1133968325.db2.gz UBUHSGIVBMAJMG-HKUYNNGSSA-N 2 1 286.463 3.631 20 0 CHADMP CC(C)[C@@H]1CCC[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208956351 1133969927 /nfs/dbraw/zinc/96/99/27/1133969927.db2.gz HGZDIBAEWVDKJW-OALUTQOASA-N 2 1 286.463 3.629 20 0 CHADMP CC(C)[C@@H]1CCC[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208956351 1133969934 /nfs/dbraw/zinc/96/99/34/1133969934.db2.gz HGZDIBAEWVDKJW-OALUTQOASA-N 2 1 286.463 3.629 20 0 CHADMP CC(C)[C@@H]1CCC[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208956351 1133969939 /nfs/dbraw/zinc/96/99/39/1133969939.db2.gz HGZDIBAEWVDKJW-OALUTQOASA-N 2 1 286.463 3.629 20 0 CHADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@H]2C[C@H]2C)CC1 ZINC001209420357 1134014664 /nfs/dbraw/zinc/01/46/64/1134014664.db2.gz HZPZAWJPSRFECO-SJLPKXTDSA-N 2 1 286.463 3.629 20 0 CHADMP CC1(C)C[N@H+](CCC[NH+]2CCCCC2)Cc2ccccc21 ZINC001209452138 1134024208 /nfs/dbraw/zinc/02/42/08/1134024208.db2.gz FFGTVDQOLAGLNJ-UHFFFAOYSA-N 2 1 286.463 3.656 20 0 CHADMP CC1(C)C[N@@H+](CCC[NH+]2CCCCC2)Cc2ccccc21 ZINC001209452138 1134024210 /nfs/dbraw/zinc/02/42/10/1134024210.db2.gz FFGTVDQOLAGLNJ-UHFFFAOYSA-N 2 1 286.463 3.656 20 0 CHADMP CCC[N@@H+](CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC001209449268 1134024838 /nfs/dbraw/zinc/02/48/38/1134024838.db2.gz WFEMDDHCUPSCHZ-UHFFFAOYSA-N 2 1 274.452 3.775 20 0 CHADMP C[N@@H+](C/C=C/c1ccccc1)CCC[NH+]1CCCCC1 ZINC001209451367 1134024999 /nfs/dbraw/zinc/02/49/99/1134024999.db2.gz VOZULYXSTIFDHF-XYOKQWHBSA-N 2 1 272.436 3.508 20 0 CHADMP C[N@H+](C/C=C/c1ccccc1)CCC[NH+]1CCCCC1 ZINC001209451367 1134025003 /nfs/dbraw/zinc/02/50/03/1134025003.db2.gz VOZULYXSTIFDHF-XYOKQWHBSA-N 2 1 272.436 3.508 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2c1cccc2C ZINC001209495231 1134030196 /nfs/dbraw/zinc/03/01/96/1134030196.db2.gz SHFFODAYZVREPC-UHFFFAOYSA-N 2 1 287.451 3.640 20 0 CHADMP Cc1c(C[N@@H+]2CC[NH2+][C@H](C)CC2)cccc1-c1ccccc1 ZINC001210518622 1134238649 /nfs/dbraw/zinc/23/86/49/1134238649.db2.gz GYUDNMHDURBOTG-MRXNPFEDSA-N 2 1 294.442 3.846 20 0 CHADMP Cc1c(C[N@H+]2CC[NH2+][C@H](C)CC2)cccc1-c1ccccc1 ZINC001210518622 1134238651 /nfs/dbraw/zinc/23/86/51/1134238651.db2.gz GYUDNMHDURBOTG-MRXNPFEDSA-N 2 1 294.442 3.846 20 0 CHADMP CC[NH+](CC)c1ccc(Nc2cccc(C[NH2+]C)c2)cc1 ZINC001211138414 1134378825 /nfs/dbraw/zinc/37/88/25/1134378825.db2.gz QCMFUJBDRXTXHH-UHFFFAOYSA-N 2 1 283.419 3.996 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222142249 1135199577 /nfs/dbraw/zinc/19/95/77/1135199577.db2.gz ZCJTYMYNQMXMLU-LIMHQNJXSA-N 2 1 264.457 3.589 20 0 CHADMP CC/C=C\CCC[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222153957 1135200846 /nfs/dbraw/zinc/20/08/46/1135200846.db2.gz DNNFSDDTNXSVSC-DDKKJVIOSA-N 2 1 278.484 3.979 20 0 CHADMP Cc1cccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222162079 1135202796 /nfs/dbraw/zinc/20/27/96/1135202796.db2.gz XIFQZCIMMDKWNA-LJQANCHMSA-N 2 1 286.463 3.741 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222232862 1135210804 /nfs/dbraw/zinc/21/08/04/1135210804.db2.gz XSLPCZXHSIHBRH-LIMHQNJXSA-N 2 1 264.457 3.731 20 0 CHADMP CC(C)c1cccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222252189 1135214948 /nfs/dbraw/zinc/21/49/48/1135214948.db2.gz AFGQAUHWQVKXGJ-GOSISDBHSA-N 2 1 272.436 3.528 20 0 CHADMP CC(C)c1cccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222252189 1135214952 /nfs/dbraw/zinc/21/49/52/1135214952.db2.gz AFGQAUHWQVKXGJ-GOSISDBHSA-N 2 1 272.436 3.528 20 0 CHADMP c1ccc2c(c1)cccc2C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222308008 1135222054 /nfs/dbraw/zinc/22/20/54/1135222054.db2.gz FDAIEJINEWWMNZ-HXUWFJFHSA-N 2 1 294.442 3.948 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c(Cl)c1 ZINC001222315231 1135223652 /nfs/dbraw/zinc/22/36/52/1135223652.db2.gz LLGQRHDFVUDJIJ-QGZVFWFLSA-N 2 1 292.854 3.757 20 0 CHADMP c1ccc2c(c1)cccc2C[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222347144 1135229529 /nfs/dbraw/zinc/22/95/29/1135229529.db2.gz XPSARIZFSVNIJP-LJQANCHMSA-N 2 1 280.415 3.558 20 0 CHADMP c1ccc2c(c1)cccc2C[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222347144 1135229532 /nfs/dbraw/zinc/22/95/32/1135229532.db2.gz XPSARIZFSVNIJP-LJQANCHMSA-N 2 1 280.415 3.558 20 0 CHADMP CCCC[C@H](CC)C[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385628 1135233981 /nfs/dbraw/zinc/23/39/81/1135233981.db2.gz RZOGRUQESDXMMR-DLBZAZTESA-N 2 1 266.473 3.811 20 0 CHADMP c1ccc(C2(C[N@@H+]3CC[C@]4(C3)CCCC[NH2+]4)CCCC2)cc1 ZINC001222421432 1135239052 /nfs/dbraw/zinc/23/90/52/1135239052.db2.gz LXVCONVFMGILMV-FQEVSTJZSA-N 2 1 298.474 3.716 20 0 CHADMP c1ccc(C2(C[N@H+]3CC[C@]4(C3)CCCC[NH2+]4)CCCC2)cc1 ZINC001222421432 1135239054 /nfs/dbraw/zinc/23/90/54/1135239054.db2.gz LXVCONVFMGILMV-FQEVSTJZSA-N 2 1 298.474 3.716 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222422210 1135240730 /nfs/dbraw/zinc/24/07/30/1135240730.db2.gz SVNOOJGNRZNGMD-MSOLQXFVSA-N 2 1 278.484 3.977 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222422210 1135240734 /nfs/dbraw/zinc/24/07/34/1135240734.db2.gz SVNOOJGNRZNGMD-MSOLQXFVSA-N 2 1 278.484 3.977 20 0 CHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(Cl)c1 ZINC000096971780 185144950 /nfs/dbraw/zinc/14/49/50/185144950.db2.gz HMNMTWYKQDVLCQ-INIZCTEOSA-N 2 1 280.843 3.646 20 0 CHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(Cl)c1 ZINC000096971780 185144952 /nfs/dbraw/zinc/14/49/52/185144952.db2.gz HMNMTWYKQDVLCQ-INIZCTEOSA-N 2 1 280.843 3.646 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc(Cl)c1 ZINC000096971780 185144953 /nfs/dbraw/zinc/14/49/53/185144953.db2.gz HMNMTWYKQDVLCQ-INIZCTEOSA-N 2 1 280.843 3.646 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccc(Cl)c1 ZINC000096971780 185144956 /nfs/dbraw/zinc/14/49/56/185144956.db2.gz HMNMTWYKQDVLCQ-INIZCTEOSA-N 2 1 280.843 3.646 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1F ZINC000352793306 529657105 /nfs/dbraw/zinc/65/71/05/529657105.db2.gz AZRPECYVGAECBE-CPUCHLNUSA-N 2 1 278.415 3.739 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000311426215 260248350 /nfs/dbraw/zinc/24/83/50/260248350.db2.gz BPWGYRQDKCCFOB-IIAWOOMASA-N 2 1 266.473 3.521 20 0 CHADMP c1cc(-c2ccccc2)oc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574276540 335006402 /nfs/dbraw/zinc/00/64/02/335006402.db2.gz ASMDYLYJXUBABV-LJQANCHMSA-N 2 1 296.414 3.522 20 0 CHADMP c1cc(-c2ccccc2)oc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574276540 335006404 /nfs/dbraw/zinc/00/64/04/335006404.db2.gz ASMDYLYJXUBABV-LJQANCHMSA-N 2 1 296.414 3.522 20 0 CHADMP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000574766164 335046014 /nfs/dbraw/zinc/04/60/14/335046014.db2.gz FMAWGMXCFSASEH-DOTOQJQBSA-N 2 1 277.456 3.547 20 0 CHADMP CCCc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000322948100 260023952 /nfs/dbraw/zinc/02/39/52/260023952.db2.gz RZARYWAOIMUSBJ-FMJMRLDVSA-N 2 1 286.463 3.915 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1cc2ccccc2o1)C(C)C ZINC000341870915 130098045 /nfs/dbraw/zinc/09/80/45/130098045.db2.gz AROXFEIQPDNBDU-GOSISDBHSA-N 2 1 297.402 3.925 20 0 CHADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)cc2)CC1 ZINC000020121876 171001415 /nfs/dbraw/zinc/00/14/15/171001415.db2.gz QMUDVPUTFNDCGC-CYBMUJFWSA-N 2 1 280.843 3.863 20 0 CHADMP COc1ccccc1[C@@H](C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000020143228 171029115 /nfs/dbraw/zinc/02/91/15/171029115.db2.gz SHXKGZOMSRDJNI-CYBMUJFWSA-N 2 1 290.451 3.655 20 0 CHADMP CC1(C)CC([NH2+]Cc2cc3ccccc3o2)CC(C)(C)[NH2+]1 ZINC000020143459 171029304 /nfs/dbraw/zinc/02/93/04/171029304.db2.gz GDRKJSQSQYHEEW-UHFFFAOYSA-N 2 1 286.419 3.832 20 0 CHADMP Cc1cc([C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)c(C)o1 ZINC000020439204 171203372 /nfs/dbraw/zinc/20/33/72/171203372.db2.gz AYOBHAIJZQLOGO-HNNXBMFYSA-N 2 1 278.440 3.669 20 0 CHADMP CC[N@@H+]1CCC[C@@H]1CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000020556764 171250358 /nfs/dbraw/zinc/25/03/58/171250358.db2.gz FPXYEFJYPNBGML-CYBMUJFWSA-N 2 1 289.810 3.784 20 0 CHADMP CC[N@H+]1CCC[C@@H]1CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000020556764 171250359 /nfs/dbraw/zinc/25/03/59/171250359.db2.gz FPXYEFJYPNBGML-CYBMUJFWSA-N 2 1 289.810 3.784 20 0 CHADMP C[N@@H+](CCC[NH2+]C1CCCCCC1)Cc1ccccc1 ZINC000021009046 171286055 /nfs/dbraw/zinc/28/60/55/171286055.db2.gz QLRLQWJUPRLBEC-UHFFFAOYSA-N 2 1 274.452 3.821 20 0 CHADMP Cc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192925988 227387200 /nfs/dbraw/zinc/38/72/00/227387200.db2.gz CKQLKOFXAZLCAE-FQEVSTJZSA-N 2 1 294.442 3.607 20 0 CHADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)cs2)C1 ZINC000347147859 226061156 /nfs/dbraw/zinc/06/11/56/226061156.db2.gz YVSUWHGIWBPCFA-CQSZACIVSA-N 2 1 286.444 3.586 20 0 CHADMP c1cc2cc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)ccc2o1 ZINC000347862771 226387041 /nfs/dbraw/zinc/38/70/41/226387041.db2.gz VQUZVHLVFIUOLY-QGZVFWFLSA-N 2 1 298.430 3.741 20 0 CHADMP c1cc2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)ccc2o1 ZINC000347862771 226387042 /nfs/dbraw/zinc/38/70/42/226387042.db2.gz VQUZVHLVFIUOLY-QGZVFWFLSA-N 2 1 298.430 3.741 20 0 CHADMP C[C@H]1CCC[C@H](CC[NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000352760368 227197724 /nfs/dbraw/zinc/19/77/24/227197724.db2.gz PBLTZPRUMGQOSJ-UONOGXRCSA-N 2 1 295.496 3.511 20 0 CHADMP Cc1cc(NC(C)(C)CC[NH+]2CCCCCC2)nc(C)[nH+]1 ZINC000302518782 227859676 /nfs/dbraw/zinc/85/96/76/227859676.db2.gz ICZYMNUHCFXLBU-UHFFFAOYSA-N 2 1 290.455 3.550 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000353292973 228081444 /nfs/dbraw/zinc/08/14/44/228081444.db2.gz QGTZXFWBDXONGW-STQMWFEESA-N 2 1 299.409 3.631 20 0 CHADMP Cc1ccc(CCC[N@H+](C)Cc2cccc(F)c2)cn1 ZINC000353365695 228091658 /nfs/dbraw/zinc/09/16/58/228091658.db2.gz VNVZFTQOXXLCOS-UHFFFAOYSA-N 2 1 272.367 3.594 20 0 CHADMP Cc1ccc(CCC[N@H+](C)Cc2ccccc2F)cn1 ZINC000353366036 228091829 /nfs/dbraw/zinc/09/18/29/228091829.db2.gz WOZSOGGDWLSSLF-UHFFFAOYSA-N 2 1 272.367 3.594 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[C@@H]2C)cc1 ZINC000353777237 228152525 /nfs/dbraw/zinc/15/25/25/228152525.db2.gz XDSMBAGTRYFRRW-DCGLDWPTSA-N 2 1 269.392 3.630 20 0 CHADMP CC(C)Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000037248752 260078577 /nfs/dbraw/zinc/07/85/77/260078577.db2.gz HKZKDVOEXYWRQH-HNNXBMFYSA-N 2 1 274.452 3.630 20 0 CHADMP C[N@@H+](CCCc1ccc(Cl)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000525486869 260197240 /nfs/dbraw/zinc/19/72/40/260197240.db2.gz KPIQLNQQYXKUDX-MRXNPFEDSA-N 2 1 294.870 3.546 20 0 CHADMP C[NH+](CCCc1ccc(Cl)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000525486869 260197241 /nfs/dbraw/zinc/19/72/41/260197241.db2.gz KPIQLNQQYXKUDX-MRXNPFEDSA-N 2 1 294.870 3.546 20 0 CHADMP C[NH+](CCCc1ccc(Cl)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000525486869 260197243 /nfs/dbraw/zinc/19/72/43/260197243.db2.gz KPIQLNQQYXKUDX-MRXNPFEDSA-N 2 1 294.870 3.546 20 0 CHADMP CCc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000090720225 260261840 /nfs/dbraw/zinc/26/18/40/260261840.db2.gz VRCOAOYKZZFPEA-ZIAGYGMSSA-N 2 1 286.419 3.568 20 0 CHADMP CCc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000090720225 260261841 /nfs/dbraw/zinc/26/18/41/260261841.db2.gz VRCOAOYKZZFPEA-ZIAGYGMSSA-N 2 1 286.419 3.568 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccccc1)C(C)(C)C ZINC000517958025 260325940 /nfs/dbraw/zinc/32/59/40/260325940.db2.gz YUWQLSUZHXXEAR-UHFFFAOYSA-N 2 1 285.435 3.653 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccccc1)C(C)(C)C ZINC000517958025 260325941 /nfs/dbraw/zinc/32/59/41/260325941.db2.gz YUWQLSUZHXXEAR-UHFFFAOYSA-N 2 1 285.435 3.653 20 0 CHADMP C[C@@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1Cl ZINC000223737457 260359950 /nfs/dbraw/zinc/35/99/50/260359950.db2.gz OYXGLDJYNDHKFI-LOWVWBTDSA-N 2 1 284.806 3.612 20 0 CHADMP C[C@@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1ccc(F)cc1Cl ZINC000223737457 260359952 /nfs/dbraw/zinc/35/99/52/260359952.db2.gz OYXGLDJYNDHKFI-LOWVWBTDSA-N 2 1 284.806 3.612 20 0 CHADMP CCC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)C1CCCC1 ZINC000449075691 261150491 /nfs/dbraw/zinc/15/04/91/261150491.db2.gz RLXHRTWIHNUGIU-PBHICJAKSA-N 2 1 277.456 3.776 20 0 CHADMP CC1=C[C@@H](C)C[C@H](C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000300161601 261178485 /nfs/dbraw/zinc/17/84/85/261178485.db2.gz SMZRZQFBJHWYGU-HHAVVXDTSA-N 2 1 276.468 3.584 20 0 CHADMP Cc1ccsc1[C@@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000178700779 261756224 /nfs/dbraw/zinc/75/62/24/261756224.db2.gz NCPDXICOACNLPF-WCQYABFASA-N 2 1 277.437 3.548 20 0 CHADMP Cc1oc2ccccc2c1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000184724321 262027803 /nfs/dbraw/zinc/02/78/03/262027803.db2.gz UCYVCZOXJUJGEY-OGHNNQOOSA-N 2 1 286.419 3.560 20 0 CHADMP CCSc1cccc(C[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000185451786 262054893 /nfs/dbraw/zinc/05/48/93/262054893.db2.gz KQPWDYRBRMLIHA-UHFFFAOYSA-N 2 1 292.492 3.761 20 0 CHADMP c1coc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000309964757 262060760 /nfs/dbraw/zinc/06/07/60/262060760.db2.gz KDTPLYWHAYRZMY-GOSISDBHSA-N 2 1 298.430 3.672 20 0 CHADMP c1coc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000309964757 262060763 /nfs/dbraw/zinc/06/07/63/262060763.db2.gz KDTPLYWHAYRZMY-GOSISDBHSA-N 2 1 298.430 3.672 20 0 CHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccccc1F ZINC000019913057 262178028 /nfs/dbraw/zinc/17/80/28/262178028.db2.gz XBLGZASWTBNITQ-CABCVRRESA-N 2 1 278.415 3.741 20 0 CHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccccc1F ZINC000019913057 262178030 /nfs/dbraw/zinc/17/80/30/262178030.db2.gz XBLGZASWTBNITQ-CABCVRRESA-N 2 1 278.415 3.741 20 0 CHADMP CC(C)C[C@H](C)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000499627022 262204422 /nfs/dbraw/zinc/20/44/22/262204422.db2.gz RETPPRISYJQMIG-ULQDDVLXSA-N 2 1 280.500 3.911 20 0 CHADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000502721298 262226259 /nfs/dbraw/zinc/22/62/59/262226259.db2.gz IPDYHIFIXGMJKG-IAGOWNOFSA-N 2 1 292.854 3.961 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000502721298 262226261 /nfs/dbraw/zinc/22/62/61/262226261.db2.gz IPDYHIFIXGMJKG-IAGOWNOFSA-N 2 1 292.854 3.961 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000502721298 262226264 /nfs/dbraw/zinc/22/62/64/262226264.db2.gz IPDYHIFIXGMJKG-IAGOWNOFSA-N 2 1 292.854 3.961 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000502721298 262226267 /nfs/dbraw/zinc/22/62/67/262226267.db2.gz IPDYHIFIXGMJKG-IAGOWNOFSA-N 2 1 292.854 3.961 20 0 CHADMP CCC[C@H](C)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000020088941 262228287 /nfs/dbraw/zinc/22/82/87/262228287.db2.gz LJHNBBBBZBKXKU-INIZCTEOSA-N 2 1 274.452 3.677 20 0 CHADMP C1=C[C@@H]([NH+]2CCC([NH+]3CCCCC3)CC2)CCCCC1 ZINC000521413947 262317386 /nfs/dbraw/zinc/31/73/86/262317386.db2.gz FQQRZUTXHXCICO-QGZVFWFLSA-N 2 1 276.468 3.826 20 0 CHADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228473418 262339317 /nfs/dbraw/zinc/33/93/17/262339317.db2.gz VOVIANUQEVYEBY-QZDOHJIMSA-N 2 1 296.817 3.599 20 0 CHADMP CC1(C)CC([NH2+][C@H]2CCCc3occc32)CC(C)(C)[NH2+]1 ZINC000122084635 262343422 /nfs/dbraw/zinc/34/34/22/262343422.db2.gz ODSZDYLUXXZMNH-AWEZNQCLSA-N 2 1 276.424 3.556 20 0 CHADMP CC[NH+]1CCC(Nc2ccc([NH+]3CCCCC3)cc2)CC1 ZINC000057707755 262349378 /nfs/dbraw/zinc/34/93/78/262349378.db2.gz ACULZCQLRLEXNK-UHFFFAOYSA-N 2 1 287.451 3.573 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](Cc2ccccc2)C(C)C)C1 ZINC000187048749 262377402 /nfs/dbraw/zinc/37/74/02/262377402.db2.gz BZEVSBDEVZHCQV-OALUTQOASA-N 2 1 288.479 3.575 20 0 CHADMP C[N@@H+](Cc1ccc(C(C)(C)C)s1)[C@@H]1CCC[NH2+]CC1 ZINC000226449985 263010960 /nfs/dbraw/zinc/01/09/60/263010960.db2.gz IFXQGZLEXWUCNM-CYBMUJFWSA-N 2 1 280.481 3.620 20 0 CHADMP Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414669165 263027677 /nfs/dbraw/zinc/02/76/77/263027677.db2.gz BJVNMLNKGONDHC-JZXOWHBKSA-N 2 1 272.436 3.520 20 0 CHADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414700943 263032909 /nfs/dbraw/zinc/03/29/09/263032909.db2.gz KIEJHUTYGFMQEM-YCPHGPKFSA-N 2 1 294.870 3.591 20 0 CHADMP [NH3+]CCC[N@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000414708711 263033661 /nfs/dbraw/zinc/03/36/61/263033661.db2.gz QNXUVLPHYFKQFK-OAHLLOKOSA-N 2 1 266.816 3.606 20 0 CHADMP CC(C)c1cnc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)s1 ZINC000414804967 263052129 /nfs/dbraw/zinc/05/21/29/263052129.db2.gz FVYXCNMHWIVJCY-LBPRGKRZSA-N 2 1 289.448 3.576 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000414817863 263054145 /nfs/dbraw/zinc/05/41/45/263054145.db2.gz UAGKSOUJVOMYLV-IUODEOHRSA-N 2 1 268.832 3.551 20 0 CHADMP [NH3+]C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)C1CCCCC1 ZINC000414830614 263056285 /nfs/dbraw/zinc/05/62/85/263056285.db2.gz BEBIFDGGRCGPHS-RUXDESIVSA-N 2 1 292.389 3.605 20 0 CHADMP C[C@@H](CC[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccccc1 ZINC000415036144 263257189 /nfs/dbraw/zinc/25/71/89/263257189.db2.gz FJMSTJKPGKBVJY-FFZOFVMBSA-N 2 1 294.442 3.525 20 0 CHADMP CCC(C)(C)C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415102140 263274081 /nfs/dbraw/zinc/27/40/81/263274081.db2.gz JLPKWYAFDRPSFZ-JKSUJKDBSA-N 2 1 260.425 3.506 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000094836545 265261618 /nfs/dbraw/zinc/26/16/18/265261618.db2.gz YKSGRDSTBZSKHT-AWEZNQCLSA-N 2 1 266.404 3.517 20 0 CHADMP Cc1oc2ccccc2c1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000519033707 265300157 /nfs/dbraw/zinc/30/01/57/265300157.db2.gz ZRQLAKIURNVAEH-CRAIPNDOSA-N 2 1 298.430 3.657 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000519033707 265300161 /nfs/dbraw/zinc/30/01/61/265300161.db2.gz ZRQLAKIURNVAEH-CRAIPNDOSA-N 2 1 298.430 3.657 20 0 CHADMP Cc1oc2ccccc2c1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000519033707 265300165 /nfs/dbraw/zinc/30/01/65/265300165.db2.gz ZRQLAKIURNVAEH-CRAIPNDOSA-N 2 1 298.430 3.657 20 0 CHADMP CSC1(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCC1 ZINC000356173415 266062438 /nfs/dbraw/zinc/06/24/38/266062438.db2.gz WZXRJOLOLZOPGW-IYBDPMFKSA-N 2 1 298.540 3.620 20 0 CHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H]1c1cccs1 ZINC000356853072 266191229 /nfs/dbraw/zinc/19/12/29/266191229.db2.gz NSTPVJFXHFBDBV-CABCVRRESA-N 2 1 278.465 3.759 20 0 CHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H]1c1cccs1 ZINC000356853072 266191231 /nfs/dbraw/zinc/19/12/31/266191231.db2.gz NSTPVJFXHFBDBV-CABCVRRESA-N 2 1 278.465 3.759 20 0 CHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H]1c1cccs1 ZINC000356853072 266191234 /nfs/dbraw/zinc/19/12/34/266191234.db2.gz NSTPVJFXHFBDBV-CABCVRRESA-N 2 1 278.465 3.759 20 0 CHADMP CCC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000368401747 267170460 /nfs/dbraw/zinc/17/04/60/267170460.db2.gz GCSYTGGPFPHRNV-QRVBRYPASA-N 2 1 286.463 3.787 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H]1CC=CCC1 ZINC000119086899 267295838 /nfs/dbraw/zinc/29/58/38/267295838.db2.gz GPUHUZFNIPVCPB-IRXDYDNUSA-N 2 1 264.457 3.587 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000371088933 267350230 /nfs/dbraw/zinc/35/02/30/267350230.db2.gz PTZPVLVLAWXDSN-JKSUJKDBSA-N 2 1 292.854 3.673 20 0 CHADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)nc1)C[NH+]1CCCCC1 ZINC000179109540 327799684 /nfs/dbraw/zinc/79/96/84/327799684.db2.gz ANHUHZQLNPGRAX-KBPBESRZSA-N 2 1 295.858 3.508 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000531699973 328025703 /nfs/dbraw/zinc/02/57/03/328025703.db2.gz ZXYZAPBHBODJCP-SFHVURJKSA-N 2 1 283.419 3.713 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000534019435 328033169 /nfs/dbraw/zinc/03/31/69/328033169.db2.gz LHIMOLRRRIFXSE-SJORKVTESA-N 2 1 274.452 3.848 20 0 CHADMP Cc1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C)s1 ZINC000563481157 328069502 /nfs/dbraw/zinc/06/95/02/328069502.db2.gz AKUDROQAHWIJFU-MRXNPFEDSA-N 2 1 292.492 3.529 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc3ccccc3s2)[C@@H](C)C1 ZINC000571304577 328101213 /nfs/dbraw/zinc/10/12/13/328101213.db2.gz SMMXWYZKPIEGMN-XJKSGUPXSA-N 2 1 288.460 3.721 20 0 CHADMP C[C@H]1C[N@@H+](CC2CCC(c3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000414652042 328208263 /nfs/dbraw/zinc/20/82/63/328208263.db2.gz CYLLPXKSRWQUTH-NHFHULPWSA-N 2 1 286.463 3.630 20 0 CHADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2cccc3ccccc32)CC[NH2+]1 ZINC000414672344 328212763 /nfs/dbraw/zinc/21/27/63/328212763.db2.gz HGYHZJRUUUNKJE-HZPDHXFCSA-N 2 1 282.431 3.660 20 0 CHADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC2CCC(c3ccccc3)CC2)C1 ZINC000414655073 328208827 /nfs/dbraw/zinc/20/88/27/328208827.db2.gz CTHCBFGCRYDQSE-NHFHULPWSA-N 2 1 286.463 3.630 20 0 CHADMP Cc1ccc(-c2ccc(C[NH2+]C[C@@H]([NH3+])C3CC3)s2)cc1 ZINC000414892972 328252148 /nfs/dbraw/zinc/25/21/48/328252148.db2.gz JXDXLUCVGFWKEU-MRXNPFEDSA-N 2 1 286.444 3.550 20 0 CHADMP CC(C)(C)CC[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000187753959 328302336 /nfs/dbraw/zinc/30/23/36/328302336.db2.gz QKHHIJVXFGOTBU-OAHLLOKOSA-N 2 1 294.508 3.986 20 0 CHADMP CC(C)(C)CC[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000187753959 328302337 /nfs/dbraw/zinc/30/23/37/328302337.db2.gz QKHHIJVXFGOTBU-OAHLLOKOSA-N 2 1 294.508 3.986 20 0 CHADMP c1ccc([C@H](CC2CC2)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000531937762 328319735 /nfs/dbraw/zinc/31/97/35/328319735.db2.gz UDHUOACEFPSEIX-LPHOPBHVSA-N 2 1 284.447 3.602 20 0 CHADMP CC(C)[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000531947317 328328434 /nfs/dbraw/zinc/32/84/34/328328434.db2.gz SAJYGGXFZUWCNN-RDJZCZTQSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000534757886 328360322 /nfs/dbraw/zinc/36/03/22/328360322.db2.gz DQUHVGOGBBLCPR-CJNGLKHVSA-N 2 1 280.843 3.817 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000534757886 328360324 /nfs/dbraw/zinc/36/03/24/328360324.db2.gz DQUHVGOGBBLCPR-CJNGLKHVSA-N 2 1 280.843 3.817 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000534757886 328360326 /nfs/dbraw/zinc/36/03/26/328360326.db2.gz DQUHVGOGBBLCPR-CJNGLKHVSA-N 2 1 280.843 3.817 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000534757886 328360328 /nfs/dbraw/zinc/36/03/28/328360328.db2.gz DQUHVGOGBBLCPR-CJNGLKHVSA-N 2 1 280.843 3.817 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000534976711 328372610 /nfs/dbraw/zinc/37/26/10/328372610.db2.gz OZYRRCPPUZDOJM-MRXNPFEDSA-N 2 1 289.810 3.512 20 0 CHADMP CC[C@@H]1CC[C@H]1[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000558241685 327080774 /nfs/dbraw/zinc/08/07/74/327080774.db2.gz ROADVFXFZLHYOT-CGTJXYLNSA-N 2 1 274.452 3.675 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H]2C=CCCCCC2)C1 ZINC000559105652 327141402 /nfs/dbraw/zinc/14/14/02/327141402.db2.gz GGYKWJKXNQANIX-DLBZAZTESA-N 2 1 264.457 3.539 20 0 CHADMP C[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CCCCC1 ZINC000559106902 327141517 /nfs/dbraw/zinc/14/15/17/327141517.db2.gz MCCAKZZLKVQAFI-VYDXJSESSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CCCCC1 ZINC000559106902 327141518 /nfs/dbraw/zinc/14/15/18/327141518.db2.gz MCCAKZZLKVQAFI-VYDXJSESSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000559106902 327141520 /nfs/dbraw/zinc/14/15/20/327141520.db2.gz MCCAKZZLKVQAFI-VYDXJSESSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000559106902 327141521 /nfs/dbraw/zinc/14/15/21/327141521.db2.gz MCCAKZZLKVQAFI-VYDXJSESSA-N 2 1 266.473 3.617 20 0 CHADMP CC(C)C1([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000559327493 327160052 /nfs/dbraw/zinc/16/00/52/327160052.db2.gz UFHMZCYLFNVNAB-SJLPKXTDSA-N 2 1 286.463 3.818 20 0 CHADMP CC(C)C1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000559327493 327160053 /nfs/dbraw/zinc/16/00/53/327160053.db2.gz UFHMZCYLFNVNAB-SJLPKXTDSA-N 2 1 286.463 3.818 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC(C)(C)C)C[C@H]1C ZINC000410397436 327191842 /nfs/dbraw/zinc/19/18/42/327191842.db2.gz ZZSKXPVOGJPHQM-HUUCEWRRSA-N 2 1 254.462 3.617 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2C=CCCCCC2)C1 ZINC000559796363 327261903 /nfs/dbraw/zinc/26/19/03/327261903.db2.gz SGAFGVHDJFABLI-IAGOWNOFSA-N 2 1 264.457 3.539 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2C=CCCCCC2)C1 ZINC000559796363 327261904 /nfs/dbraw/zinc/26/19/04/327261904.db2.gz SGAFGVHDJFABLI-IAGOWNOFSA-N 2 1 264.457 3.539 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2C=CCCCCC2)C1 ZINC000559796363 327261906 /nfs/dbraw/zinc/26/19/06/327261906.db2.gz SGAFGVHDJFABLI-IAGOWNOFSA-N 2 1 264.457 3.539 20 0 CHADMP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000559786021 327262065 /nfs/dbraw/zinc/26/20/65/327262065.db2.gz GEKVMGRLQZIWGX-LAVFITLUSA-N 2 1 272.436 3.600 20 0 CHADMP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000559786021 327262066 /nfs/dbraw/zinc/26/20/66/327262066.db2.gz GEKVMGRLQZIWGX-LAVFITLUSA-N 2 1 272.436 3.600 20 0 CHADMP CC(C)C1([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000559891027 327268535 /nfs/dbraw/zinc/26/85/35/327268535.db2.gz LNJBTZDVNVOGOP-GUDVDZBRSA-N 2 1 298.474 3.675 20 0 CHADMP CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCCC1 ZINC000387543322 327306732 /nfs/dbraw/zinc/30/67/32/327306732.db2.gz GYCCAPXWYJJRCJ-HMQMGEFJSA-N 2 1 264.457 3.560 20 0 CHADMP CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCCC1 ZINC000387543322 327306733 /nfs/dbraw/zinc/30/67/33/327306733.db2.gz GYCCAPXWYJJRCJ-HMQMGEFJSA-N 2 1 264.457 3.560 20 0 CHADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000560544043 327322870 /nfs/dbraw/zinc/32/28/70/327322870.db2.gz YWJRFOMEVXALOH-IEBWSBKVSA-N 2 1 298.474 3.631 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000560581250 327327564 /nfs/dbraw/zinc/32/75/64/327327564.db2.gz GPTMVXNFWVCTGA-XGXHKWSGSA-N 2 1 286.463 3.643 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000560581250 327327563 /nfs/dbraw/zinc/32/75/63/327327563.db2.gz GPTMVXNFWVCTGA-XGXHKWSGSA-N 2 1 286.463 3.643 20 0 CHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@H]1CF ZINC000560611943 327330382 /nfs/dbraw/zinc/33/03/82/327330382.db2.gz UXSPNXCXGBMMRM-QGZVFWFLSA-N 2 1 292.442 3.579 20 0 CHADMP CSc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)s1 ZINC000578404014 327335882 /nfs/dbraw/zinc/33/58/82/327335882.db2.gz AEYVNJUERCCIET-ZDUSSCGKSA-N 2 1 298.521 3.824 20 0 CHADMP CSc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)s1 ZINC000578404014 327335883 /nfs/dbraw/zinc/33/58/83/327335883.db2.gz AEYVNJUERCCIET-ZDUSSCGKSA-N 2 1 298.521 3.824 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(SC)c(F)c1 ZINC000532191534 328703593 /nfs/dbraw/zinc/70/35/93/328703593.db2.gz MWEFEGKQDXGMPK-ZDUSSCGKSA-N 2 1 298.471 3.930 20 0 CHADMP CC1=C[C@H](C)C[C@H](C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)C1 ZINC000582479473 329095293 /nfs/dbraw/zinc/09/52/93/329095293.db2.gz YNXGVPZIWSMLKQ-SNRMKQJTSA-N 2 1 290.495 3.643 20 0 CHADMP CC1=C[C@H](C)C[C@H](C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000582479473 329095294 /nfs/dbraw/zinc/09/52/94/329095294.db2.gz YNXGVPZIWSMLKQ-SNRMKQJTSA-N 2 1 290.495 3.643 20 0 CHADMP CC1=C[C@H](C)C[C@H](C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000582479473 329095295 /nfs/dbraw/zinc/09/52/95/329095295.db2.gz YNXGVPZIWSMLKQ-SNRMKQJTSA-N 2 1 290.495 3.643 20 0 CHADMP C([NH2+]C(C1CC1)C1CC1)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000582763705 329155349 /nfs/dbraw/zinc/15/53/49/329155349.db2.gz YNVBMERWKYEJPE-QGZVFWFLSA-N 2 1 276.468 3.562 20 0 CHADMP C([NH2+]C(C1CC1)C1CC1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000582763705 329155351 /nfs/dbraw/zinc/15/53/51/329155351.db2.gz YNVBMERWKYEJPE-QGZVFWFLSA-N 2 1 276.468 3.562 20 0 CHADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc2ccccc2n1 ZINC000178411317 329199665 /nfs/dbraw/zinc/19/96/65/329199665.db2.gz UKOPRXMOCMZBHH-INIZCTEOSA-N 2 1 297.446 3.761 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000178703361 329202714 /nfs/dbraw/zinc/20/27/14/329202714.db2.gz DDQACFWAVNRUHC-GOEBONIOSA-N 2 1 285.435 3.795 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CCCC(C)C ZINC000178706343 329202754 /nfs/dbraw/zinc/20/27/54/329202754.db2.gz QSQOYTYWERGVGP-HUUCEWRRSA-N 2 1 265.445 3.632 20 0 CHADMP CC[C@@H](C)C[C@H](CC)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000178703453 329202772 /nfs/dbraw/zinc/20/27/72/329202772.db2.gz MSGIAXJWMOTIMG-FMKPAKJESA-N 2 1 265.445 3.632 20 0 CHADMP CC(C)[NH2+]C1CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC000459328056 329209356 /nfs/dbraw/zinc/20/93/56/329209356.db2.gz POTAASGUHORUCU-UHFFFAOYSA-N 2 1 272.436 3.526 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000180627288 329221234 /nfs/dbraw/zinc/22/12/34/329221234.db2.gz OEWYVWHURIYOGU-BEFAXECRSA-N 2 1 297.446 3.803 20 0 CHADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000582992024 329294493 /nfs/dbraw/zinc/29/44/93/329294493.db2.gz OVKIZJAFWZZYHR-RFSCMCKOSA-N 2 1 296.405 3.531 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CCCCCOC2CCCCC2)CC[N@H+]1C ZINC000162688050 330109673 /nfs/dbraw/zinc/10/96/73/330109673.db2.gz OZFQVLSBSWAFEV-SJORKVTESA-N 2 1 296.499 3.578 20 0 CHADMP C[C@@H](CC[NH2+][C@H]1CCC1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000379644534 330144976 /nfs/dbraw/zinc/14/49/76/330144976.db2.gz CLABZJIMUGGKJJ-RDJZCZTQSA-N 2 1 274.452 3.675 20 0 CHADMP CC(C)[C@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379652701 330146151 /nfs/dbraw/zinc/14/61/51/330146151.db2.gz XTVMYYGAGQSYDF-CVEARBPZSA-N 2 1 262.441 3.531 20 0 CHADMP CCC(CC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379656117 330146661 /nfs/dbraw/zinc/14/66/61/330146661.db2.gz OBOQRDAHCXGMQR-CRAIPNDOSA-N 2 1 274.452 3.818 20 0 CHADMP CCC(CC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379656117 330146662 /nfs/dbraw/zinc/14/66/62/330146662.db2.gz OBOQRDAHCXGMQR-CRAIPNDOSA-N 2 1 274.452 3.818 20 0 CHADMP Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c(C)c1 ZINC000422693272 330150752 /nfs/dbraw/zinc/15/07/52/330150752.db2.gz LSOXXLHJJXIJEO-ROUUACIJSA-N 2 1 266.388 3.538 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1cc(F)c(Cl)cc1Cl ZINC000422736744 330152679 /nfs/dbraw/zinc/15/26/79/330152679.db2.gz WLJXMJIUPKTGSU-XHNCKOQMSA-N 2 1 293.213 3.909 20 0 CHADMP CCOc1cccc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422785092 330155039 /nfs/dbraw/zinc/15/50/39/330155039.db2.gz QSQPCOKGLRQCAU-AGRHKRQWSA-N 2 1 296.414 3.881 20 0 CHADMP CC(C)Oc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422822514 330156640 /nfs/dbraw/zinc/15/66/40/330156640.db2.gz BCQOBHIHJZAKLQ-OALUTQOASA-N 2 1 296.414 3.708 20 0 CHADMP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422822516 330156650 /nfs/dbraw/zinc/15/66/50/330156650.db2.gz BCQOBHIHJZAKLQ-RTBURBONSA-N 2 1 296.414 3.708 20 0 CHADMP CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422919683 330160588 /nfs/dbraw/zinc/16/05/88/330160588.db2.gz KWEMFDUTDUDWPV-ONIAQPFYSA-N 2 1 274.452 3.894 20 0 CHADMP C[C@H](CCC[NH3+])Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000422925010 330160838 /nfs/dbraw/zinc/16/08/38/330160838.db2.gz URVFQIYGCYVIRU-HZPDHXFCSA-N 2 1 289.467 3.600 20 0 CHADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(Cl)s1 ZINC000423536238 330210693 /nfs/dbraw/zinc/21/06/93/330210693.db2.gz ZCJCVCXFHVYDQD-GXSJLCMTSA-N 2 1 272.845 3.570 20 0 CHADMP c1ccc([C@H]2C[C@@H]([NH2+]CCC3=CCCCC3)CC[NH2+]2)cc1 ZINC000422963240 330164433 /nfs/dbraw/zinc/16/44/33/330164433.db2.gz IAGRXHZYCMHCGP-RBUKOAKNSA-N 2 1 284.447 3.960 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H](C)CC(C)(C)C)c1c[nH+]ccc1N ZINC000423063365 330168109 /nfs/dbraw/zinc/16/81/09/330168109.db2.gz WFMRJRZZTKNNSL-CHWSQXEVSA-N 2 1 263.429 3.607 20 0 CHADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423100594 330170297 /nfs/dbraw/zinc/17/02/97/330170297.db2.gz NADFVVDISUOATF-DDBAPUKQSA-N 2 1 272.436 3.506 20 0 CHADMP FC1(F)CC[C@H](C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000423100300 330170353 /nfs/dbraw/zinc/17/03/53/330170353.db2.gz VCOZGWHFSZYKOY-IMJJTQAJSA-N 2 1 294.389 3.505 20 0 CHADMP Cc1cc([C@@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)ccc1F ZINC000423144802 330172628 /nfs/dbraw/zinc/17/26/28/330172628.db2.gz ICCHHTCJNGBXTH-NXOUGTEYSA-N 2 1 284.378 3.930 20 0 CHADMP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000423176025 330174674 /nfs/dbraw/zinc/17/46/74/330174674.db2.gz BNAPHPLZQWICGD-ZDUSSCGKSA-N 2 1 286.419 3.706 20 0 CHADMP Cc1ccc(C)c([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c1 ZINC000423194261 330176294 /nfs/dbraw/zinc/17/62/94/330176294.db2.gz YSLOKPVHCHIPBZ-KRWDZBQOSA-N 2 1 297.446 3.529 20 0 CHADMP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000423257741 330183355 /nfs/dbraw/zinc/18/33/55/330183355.db2.gz ADROUVYVOBUIGX-QRVBRYPASA-N 2 1 286.463 3.820 20 0 CHADMP CCc1nc(C)c([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)s1 ZINC000423259225 330183377 /nfs/dbraw/zinc/18/33/77/330183377.db2.gz DIJKXPPKXJSMTN-RISCZKNCSA-N 2 1 295.496 3.572 20 0 CHADMP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@H](c2ccccc2)C1)C1CCCCC1 ZINC000423257739 330183382 /nfs/dbraw/zinc/18/33/82/330183382.db2.gz ADROUVYVOBUIGX-OTWHNJEPSA-N 2 1 286.463 3.820 20 0 CHADMP CC(C)Sc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000423264510 330184096 /nfs/dbraw/zinc/18/40/96/330184096.db2.gz CCUYOZMTEWARBQ-BBRMVZONSA-N 2 1 280.481 3.821 20 0 CHADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000423267678 330184359 /nfs/dbraw/zinc/18/43/59/330184359.db2.gz DBCAOUCMNYIXEN-KGLIPLIRSA-N 2 1 287.234 3.771 20 0 CHADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cccs1 ZINC000423267854 330184401 /nfs/dbraw/zinc/18/44/01/330184401.db2.gz UBXHKLQQBWASQG-UONOGXRCSA-N 2 1 266.454 3.696 20 0 CHADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000423271493 330184824 /nfs/dbraw/zinc/18/48/24/330184824.db2.gz XUHSIKISJLTCBN-RYSNWHEDSA-N 2 1 294.405 3.707 20 0 CHADMP [NH3+]C[C@H]([NH2+][C@@H]1CCCc2c3ccccc3sc21)C1CC1 ZINC000423276186 330185103 /nfs/dbraw/zinc/18/51/03/330185103.db2.gz MPJOECTZEPLEFE-CABCVRRESA-N 2 1 286.444 3.606 20 0 CHADMP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1Cl ZINC000423281290 330185356 /nfs/dbraw/zinc/18/53/56/330185356.db2.gz UDAIFEVIDAWGPN-IAQYHMDHSA-N 2 1 296.842 3.515 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000423302838 330188939 /nfs/dbraw/zinc/18/89/39/330188939.db2.gz WBBJIBOPFPFNDX-ABXWRUBCSA-N 2 1 294.405 3.851 20 0 CHADMP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1Cl ZINC000423325106 330189795 /nfs/dbraw/zinc/18/97/95/330189795.db2.gz QBCFWPRGNQPSBJ-XHDPSFHLSA-N 2 1 296.842 3.515 20 0 CHADMP Clc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)CCS2 ZINC000423353680 330193215 /nfs/dbraw/zinc/19/32/15/330193215.db2.gz BYHDZFMEPPPWSN-TZMCWYRMSA-N 2 1 296.867 3.609 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C)c2ccccc2)cc1 ZINC000423362254 330194052 /nfs/dbraw/zinc/19/40/52/330194052.db2.gz BBIYIVHXJWTPKC-NSISKUIASA-N 2 1 294.442 3.672 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CC[NH2+]1 ZINC000423368706 330195036 /nfs/dbraw/zinc/19/50/36/330195036.db2.gz FHNWIAQBZXBMCU-LQJRIPTKSA-N 2 1 299.245 3.711 20 0 CHADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(SC2CCCC2)cc1 ZINC000423373843 330195516 /nfs/dbraw/zinc/19/55/16/330195516.db2.gz SJCFDMRBIBKPMK-STQMWFEESA-N 2 1 278.465 3.719 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cc(Cl)ccc1Cl ZINC000423397106 330195552 /nfs/dbraw/zinc/19/55/52/330195552.db2.gz ODCXKQONTVPEQC-BFVZDQMLSA-N 2 1 287.234 3.642 20 0 CHADMP Cc1ccc2cc([C@@H](C)[NH2+]CC[C@H]3CCC[NH2+]3)oc2c1 ZINC000423373939 330195604 /nfs/dbraw/zinc/19/56/04/330195604.db2.gz WUACQOMUSVCHAV-UKRRQHHQSA-N 2 1 272.392 3.534 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)c2ccc(F)cc2)CC[NH2+]1 ZINC000423373749 330195682 /nfs/dbraw/zinc/19/56/82/330195682.db2.gz JKYKBXYIPIRWPV-MDASCCDHSA-N 2 1 298.405 3.645 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000423401846 330196366 /nfs/dbraw/zinc/19/63/66/330196366.db2.gz XNNXTWXFJHGQJS-SCVCMEIPSA-N 2 1 287.234 3.785 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(-c2ccc(F)cc2)s1 ZINC000423379869 330199071 /nfs/dbraw/zinc/19/90/71/330199071.db2.gz YAPWKMJOFUIHJN-WDEREUQCSA-N 2 1 278.396 3.552 20 0 CHADMP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)C1CCC(F)(F)CC1 ZINC000423390567 330200391 /nfs/dbraw/zinc/20/03/91/330200391.db2.gz ONQROURPQBQNHH-GXTWGEPZSA-N 2 1 288.426 3.568 20 0 CHADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000423444206 330202050 /nfs/dbraw/zinc/20/20/50/330202050.db2.gz LJVRDOWDEZVAJG-KWBADKCTSA-N 2 1 284.856 3.592 20 0 CHADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000423459459 330203899 /nfs/dbraw/zinc/20/38/99/330203899.db2.gz IBQWXGYXYAUTQG-RHSMWYFYSA-N 2 1 298.430 3.750 20 0 CHADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-c2cccs2)cc1 ZINC000423484759 330206601 /nfs/dbraw/zinc/20/66/01/330206601.db2.gz YWVLGMQJCRQDQS-WFASDCNBSA-N 2 1 274.433 3.803 20 0 CHADMP CC[C@H]([NH3+])C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000423486661 330206761 /nfs/dbraw/zinc/20/67/61/330206761.db2.gz ZYDHIOQQRJMEHY-KBPBESRZSA-N 2 1 288.357 3.729 20 0 CHADMP Clc1cccc2c1SCC[C@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423532331 330210256 /nfs/dbraw/zinc/21/02/56/330210256.db2.gz VGBRJAFYOJIHJO-CQSZACIVSA-N 2 1 296.867 3.609 20 0 CHADMP CCC[C@H](C)[C@@H](CC)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000536859120 330252573 /nfs/dbraw/zinc/25/25/73/330252573.db2.gz UTUZSIUAURSIAI-WNRNVDISSA-N 2 1 298.515 3.680 20 0 CHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]CC2(F)CC2)C1 ZINC000527514231 330255841 /nfs/dbraw/zinc/25/58/41/330255841.db2.gz FZMCLQDBGCFPTR-OAHLLOKOSA-N 2 1 290.426 3.510 20 0 CHADMP Cc1cccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C(C)C)c1 ZINC000527810206 330284701 /nfs/dbraw/zinc/28/47/01/330284701.db2.gz OVVYPMPEYRFMJV-CEXWTWQISA-N 2 1 286.463 3.909 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(C)ccc1C ZINC000527864841 330285605 /nfs/dbraw/zinc/28/56/05/330285605.db2.gz KRELRPRXECQGKG-JZXOWHBKSA-N 2 1 274.452 3.827 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(C)ccc1C ZINC000527864841 330285606 /nfs/dbraw/zinc/28/56/06/330285606.db2.gz KRELRPRXECQGKG-JZXOWHBKSA-N 2 1 274.452 3.827 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC[N@@H+]1C ZINC000527869332 330285986 /nfs/dbraw/zinc/28/59/86/330285986.db2.gz QMHUPKLLQWQMDX-SIVJFFJCSA-N 2 1 296.817 3.539 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC[N@H+]1C ZINC000527869332 330285987 /nfs/dbraw/zinc/28/59/87/330285987.db2.gz QMHUPKLLQWQMDX-SIVJFFJCSA-N 2 1 296.817 3.539 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)[C@H]1CC12CC2 ZINC000527849970 330288190 /nfs/dbraw/zinc/28/81/90/330288190.db2.gz NDCUBZGYNVOBSG-MAUKXSAKSA-N 2 1 286.463 3.805 20 0 CHADMP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000527987654 330298936 /nfs/dbraw/zinc/29/89/36/330298936.db2.gz UPUACNGFXIFEFE-MCIONIFRSA-N 2 1 288.426 3.520 20 0 CHADMP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@H](C)C1)[NH+](C)C ZINC000036849198 330300474 /nfs/dbraw/zinc/30/04/74/330300474.db2.gz SJFGSBQIICVXFM-IMJJTQAJSA-N 2 1 254.462 3.521 20 0 CHADMP C[NH+](C)C1CCC(Nc2[nH+]ccc3ccccc32)CC1 ZINC000528038386 330303202 /nfs/dbraw/zinc/30/32/02/330303202.db2.gz UDSVPDGODQLELA-UHFFFAOYSA-N 2 1 269.392 3.520 20 0 CHADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000044533115 330329862 /nfs/dbraw/zinc/32/98/62/330329862.db2.gz AWDUOWBXJYXDTQ-HUUCEWRRSA-N 2 1 286.419 3.734 20 0 CHADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000044533115 330329863 /nfs/dbraw/zinc/32/98/63/330329863.db2.gz AWDUOWBXJYXDTQ-HUUCEWRRSA-N 2 1 286.419 3.734 20 0 CHADMP CC(C)Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534596 330330072 /nfs/dbraw/zinc/33/00/72/330330072.db2.gz FHZWOOBSUGIPED-FUHWJXTLSA-N 2 1 288.479 3.878 20 0 CHADMP C([NH2+][C@H](C1CCC1)C1CCCCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000424272737 330333229 /nfs/dbraw/zinc/33/32/29/330333229.db2.gz UXSKAJVEQSSZGP-KXBFYZLASA-N 2 1 290.495 3.809 20 0 CHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CC34CC4)[C@H]3CCC[C@H]32)cc1 ZINC000424314682 330339173 /nfs/dbraw/zinc/33/91/73/330339173.db2.gz CMIVAHYYOMRUAW-FCGDIQPGSA-N 2 1 296.458 3.572 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](C2CCC2)C2CCCCC2)CC[N@@H+]1C ZINC000424319779 330339973 /nfs/dbraw/zinc/33/99/73/330339973.db2.gz SILAEQVBEBUXCX-FHLIZLRMSA-N 2 1 278.484 3.808 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](C2CCC2)C2CCCCC2)CC[N@H+]1C ZINC000424319779 330339974 /nfs/dbraw/zinc/33/99/74/330339974.db2.gz SILAEQVBEBUXCX-FHLIZLRMSA-N 2 1 278.484 3.808 20 0 CHADMP CCCC1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000106868920 330341457 /nfs/dbraw/zinc/34/14/57/330341457.db2.gz WPAMHESSDJMMPT-BHUNQDJPSA-N 2 1 264.457 3.562 20 0 CHADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000045692211 330348720 /nfs/dbraw/zinc/34/87/20/330348720.db2.gz MBHFNVLNMLENJS-ZLPCBKJTSA-N 2 1 274.452 3.561 20 0 CHADMP CC[C@H](C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424383691 330349589 /nfs/dbraw/zinc/34/95/89/330349589.db2.gz UIQVAHOJIMOOHM-DLBZAZTESA-N 2 1 286.463 3.644 20 0 CHADMP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(Cl)c(F)c1 ZINC000212813412 330367005 /nfs/dbraw/zinc/36/70/05/330367005.db2.gz LWBFEDJUPWCAMU-LLVKDONJSA-N 2 1 286.822 3.718 20 0 CHADMP CCC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000119695287 330378789 /nfs/dbraw/zinc/37/87/89/330378789.db2.gz ATGUZNQATURKOL-SFHVURJKSA-N 2 1 278.484 3.952 20 0 CHADMP CC(C)c1ccc(CC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000121406291 330399992 /nfs/dbraw/zinc/39/99/92/330399992.db2.gz KDCAZPMAXBFUQS-VQIMIIECSA-N 2 1 288.479 3.767 20 0 CHADMP CC(C)c1ccc(CC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000121406291 330399993 /nfs/dbraw/zinc/39/99/93/330399993.db2.gz KDCAZPMAXBFUQS-VQIMIIECSA-N 2 1 288.479 3.767 20 0 CHADMP CC(C)c1ccc(CC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000121406291 330399994 /nfs/dbraw/zinc/39/99/94/330399994.db2.gz KDCAZPMAXBFUQS-VQIMIIECSA-N 2 1 288.479 3.767 20 0 CHADMP CC(C)c1ccc(CC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000121406291 330399995 /nfs/dbraw/zinc/39/99/95/330399995.db2.gz KDCAZPMAXBFUQS-VQIMIIECSA-N 2 1 288.479 3.767 20 0 CHADMP C[C@H](CCCC(F)(F)F)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000163212307 331001109 /nfs/dbraw/zinc/00/11/09/331001109.db2.gz JBILOUDQPFOCLH-CYBMUJFWSA-N 2 1 294.405 3.962 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC1=CCCCC1 ZINC000450861491 331003529 /nfs/dbraw/zinc/00/35/29/331003529.db2.gz YNXQGUBHUAVWDR-UHFFFAOYSA-N 2 1 275.440 3.658 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC1=CCCCC1 ZINC000450861491 331003530 /nfs/dbraw/zinc/00/35/30/331003530.db2.gz YNXQGUBHUAVWDR-UHFFFAOYSA-N 2 1 275.440 3.658 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2sccc21 ZINC000453057392 331085282 /nfs/dbraw/zinc/08/52/82/331085282.db2.gz DXSDWPRBBBIERL-CTASWTNQSA-N 2 1 290.476 3.903 20 0 CHADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccncc1 ZINC000453065336 331085925 /nfs/dbraw/zinc/08/59/25/331085925.db2.gz USIVIINZBDCHQS-FUHWJXTLSA-N 2 1 289.467 3.777 20 0 CHADMP CC(C)[NH+](CC[NH2+][C@H](C)CCCc1cccnc1)C(C)C ZINC000453068047 331086143 /nfs/dbraw/zinc/08/61/43/331086143.db2.gz ZMSFHSLVUFYDNV-QGZVFWFLSA-N 2 1 291.483 3.501 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453128768 331092201 /nfs/dbraw/zinc/09/22/01/331092201.db2.gz QXQXSKAQAIBKMA-KRWDZBQOSA-N 2 1 275.440 3.530 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@@H](C3CC3)C3CCC3)C2)cc1 ZINC000453220960 331103038 /nfs/dbraw/zinc/10/30/38/331103038.db2.gz PMWGHBNESVHUNA-FXAWDEMLSA-N 2 1 298.474 3.677 20 0 CHADMP CCC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)C(C)(C)C ZINC000453386288 331126561 /nfs/dbraw/zinc/12/65/61/331126561.db2.gz ALLZXXOYAXRNAF-OAHLLOKOSA-N 2 1 254.462 3.665 20 0 CHADMP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC000453338410 331118809 /nfs/dbraw/zinc/11/88/09/331118809.db2.gz FXPBBQLFSSDASZ-FBVQUNGASA-N 2 1 278.484 3.950 20 0 CHADMP C[C@H](CCC(C)(C)C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453389450 331127071 /nfs/dbraw/zinc/12/70/71/331127071.db2.gz CKIIVANRRQLIQA-CQSZACIVSA-N 2 1 254.462 3.665 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@H]1CCCC[C@H]1C ZINC000453389988 331127104 /nfs/dbraw/zinc/12/71/04/331127104.db2.gz CPNYATBBTAROID-BFYDXBDKSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@H](C)c1ccccc1 ZINC000453389998 331127135 /nfs/dbraw/zinc/12/71/35/331127135.db2.gz CQQKDKDSWWCAHT-CVEARBPZSA-N 2 1 274.452 3.643 20 0 CHADMP Cc1ccc(C)c([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000453398745 331128270 /nfs/dbraw/zinc/12/82/70/331128270.db2.gz KVEPPECJUQUJFG-MRXNPFEDSA-N 2 1 274.452 3.828 20 0 CHADMP C[N@@H+](CCCC[NH2+]C1CCC(C(F)(F)F)CC1)C1CC1 ZINC000453398252 331128352 /nfs/dbraw/zinc/12/83/52/331128352.db2.gz KKTIDYNDKMHDBG-UHFFFAOYSA-N 2 1 292.389 3.572 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@@H](c1ccc(F)cc1)C1CC1)C1CC1 ZINC000453399216 331128422 /nfs/dbraw/zinc/12/84/22/331128422.db2.gz LBYCFISDOCNCGG-GOSISDBHSA-N 2 1 290.426 3.741 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@H](C)C2 ZINC000453400420 331128613 /nfs/dbraw/zinc/12/86/13/331128613.db2.gz MCHBHGGWEFXGHC-BEFAXECRSA-N 2 1 286.463 3.692 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c(C)c1 ZINC000453404784 331129201 /nfs/dbraw/zinc/12/92/01/331129201.db2.gz PVZZLLBUKBVDON-INIZCTEOSA-N 2 1 274.452 3.828 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@H]1CCSc2ccccc21)C1CC1 ZINC000453409491 331129674 /nfs/dbraw/zinc/12/96/74/331129674.db2.gz UJYSNBMOYOKJTF-INIZCTEOSA-N 2 1 290.476 3.688 20 0 CHADMP C[C@@H](CCc1cccc(F)c1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453410049 331129919 /nfs/dbraw/zinc/12/99/19/331129919.db2.gz URMWMIVGHZGRTO-HNNXBMFYSA-N 2 1 292.442 3.611 20 0 CHADMP C[C@@H](CCC1CCCC1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453417639 331130362 /nfs/dbraw/zinc/13/03/62/331130362.db2.gz XXILDDNGAUKYKA-HNNXBMFYSA-N 2 1 266.473 3.809 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCc2sccc21)C1CC1 ZINC000453416360 331130398 /nfs/dbraw/zinc/13/03/98/331130398.db2.gz XISKVZVWNIEIRV-OAHLLOKOSA-N 2 1 278.465 3.590 20 0 CHADMP Cc1oc2ccccc2c1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453603328 331135952 /nfs/dbraw/zinc/13/59/52/331135952.db2.gz XKLKGPXCBJOVFH-UHFFFAOYSA-N 2 1 286.419 3.705 20 0 CHADMP CC(C)[C@H](C[NH2+]CCCC[N@@H+](C)C1CC1)c1ccccc1 ZINC000453603338 331135999 /nfs/dbraw/zinc/13/59/99/331135999.db2.gz XNFKOKUULQNKIY-IBGZPJMESA-N 2 1 288.479 3.890 20 0 CHADMP CC(C)[NH2+]C1CC[NH+]([C@@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000459363711 331278464 /nfs/dbraw/zinc/27/84/64/331278464.db2.gz IMHGHJZYSBRDCV-HNNXBMFYSA-N 2 1 286.463 3.699 20 0 CHADMP C[C@H]1CCCc2ccccc2[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459483069 331284293 /nfs/dbraw/zinc/28/42/93/331284293.db2.gz RGTBMKKHVAJSHH-MGPUTAFESA-N 2 1 298.474 3.917 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000459702269 331295110 /nfs/dbraw/zinc/29/51/10/331295110.db2.gz NOWRKGJRVVIUDP-MOPGFXCFSA-N 2 1 297.446 3.850 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000459702269 331295111 /nfs/dbraw/zinc/29/51/11/331295111.db2.gz NOWRKGJRVVIUDP-MOPGFXCFSA-N 2 1 297.446 3.850 20 0 CHADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1F ZINC000459724244 331295807 /nfs/dbraw/zinc/29/58/07/331295807.db2.gz AKIMHFIXFLXIJE-YOEHRIQHSA-N 2 1 278.415 3.598 20 0 CHADMP Cc1ccccc1C1CC([NH2+]CC[C@H]2CCC[N@H+](C)C2)C1 ZINC000459778319 331300449 /nfs/dbraw/zinc/30/04/49/331300449.db2.gz KUOAETLSTVFDGL-WWDZGPRUSA-N 2 1 286.463 3.563 20 0 CHADMP C[C@@H](CCC(C)(C)C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459794432 331301470 /nfs/dbraw/zinc/30/14/70/331301470.db2.gz UTTHLPNOVJAULN-LSDHHAIUSA-N 2 1 254.462 3.523 20 0 CHADMP CC(C)[C@@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000166088260 331306590 /nfs/dbraw/zinc/30/65/90/331306590.db2.gz GYWXZQZCHBRBHL-GUDVDZBRSA-N 2 1 286.463 3.643 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000461380826 331312694 /nfs/dbraw/zinc/31/26/94/331312694.db2.gz WRTVFQHPANIJBN-INIZCTEOSA-N 2 1 282.431 3.532 20 0 CHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CC[C@H](C)C2)C1 ZINC000462745180 331327019 /nfs/dbraw/zinc/32/70/19/331327019.db2.gz OFAYWIUQRPEUKY-XHSDSOJGSA-N 2 1 266.473 3.665 20 0 CHADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CC[C@H](C)C2)C1 ZINC000462745180 331327020 /nfs/dbraw/zinc/32/70/20/331327020.db2.gz OFAYWIUQRPEUKY-XHSDSOJGSA-N 2 1 266.473 3.665 20 0 CHADMP CC[N@H+](CC[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1)C(C)C ZINC000462782587 331328726 /nfs/dbraw/zinc/32/87/26/331328726.db2.gz XIZORIXJWDXOPL-LSDHHAIUSA-N 2 1 254.462 3.521 20 0 CHADMP CC[N@@H+](CC[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1)C(C)C ZINC000462782587 331328727 /nfs/dbraw/zinc/32/87/27/331328727.db2.gz XIZORIXJWDXOPL-LSDHHAIUSA-N 2 1 254.462 3.521 20 0 CHADMP CC(C)C[C@H](C[NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000474470184 331588382 /nfs/dbraw/zinc/58/83/82/331588382.db2.gz LDANQAWGDGBEDM-QGZVFWFLSA-N 2 1 274.452 3.500 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000488422102 332006336 /nfs/dbraw/zinc/00/63/36/332006336.db2.gz UOXPXFSOCGUORR-UKBAYJJMSA-N 2 1 286.463 3.533 20 0 CHADMP CC(C)[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CS1 ZINC000488439328 332008560 /nfs/dbraw/zinc/00/85/60/332008560.db2.gz ZPLKLLWFILROQM-ZACQAIPSSA-N 2 1 298.540 3.618 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)CC[N@@H+]1C ZINC000488447300 332009844 /nfs/dbraw/zinc/00/98/44/332009844.db2.gz IONABOJUUGMZCX-NXWXRZEISA-N 2 1 286.463 3.785 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)CC[N@H+]1C ZINC000488447300 332009846 /nfs/dbraw/zinc/00/98/46/332009846.db2.gz IONABOJUUGMZCX-NXWXRZEISA-N 2 1 286.463 3.785 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)CC[N@@H+]1C ZINC000488447302 332009866 /nfs/dbraw/zinc/00/98/66/332009866.db2.gz IONABOJUUGMZCX-QXCFHYIPSA-N 2 1 286.463 3.785 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)CC[N@H+]1C ZINC000488447302 332009868 /nfs/dbraw/zinc/00/98/68/332009868.db2.gz IONABOJUUGMZCX-QXCFHYIPSA-N 2 1 286.463 3.785 20 0 CHADMP CC(C)C1CC([NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000488509293 332014891 /nfs/dbraw/zinc/01/48/91/332014891.db2.gz VNICXEPIQCPGOD-NUWOQIAWSA-N 2 1 278.484 3.664 20 0 CHADMP CC(C)[C@@H]1CCC[NH+]1CCC[N@@H+]1CCC[C@H]1C(C)C ZINC000488722396 332022688 /nfs/dbraw/zinc/02/26/88/332022688.db2.gz GSJNYQBQBQQZBG-IRXDYDNUSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@H]1C[N@@H+](CCC[NH+]2C[C@@H](C)CC2(C)C)C(C)(C)C1 ZINC000489356502 332048440 /nfs/dbraw/zinc/04/84/40/332048440.db2.gz FQMDQIMUXBEEPO-GASCZTMLSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@H]1C[NH+](CCC[N@@H+]2C[C@@H](C)CC2(C)C)C(C)(C)C1 ZINC000489356502 332048442 /nfs/dbraw/zinc/04/84/42/332048442.db2.gz FQMDQIMUXBEEPO-GASCZTMLSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@H]1C[NH+](CCC[N@H+]2C[C@@H](C)CC2(C)C)C(C)(C)C1 ZINC000489356502 332048444 /nfs/dbraw/zinc/04/84/44/332048444.db2.gz FQMDQIMUXBEEPO-GASCZTMLSA-N 2 1 266.473 3.617 20 0 CHADMP CC(C)=CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491055131 332143550 /nfs/dbraw/zinc/14/35/50/332143550.db2.gz FMHHTACMWMKETI-QGZVFWFLSA-N 2 1 264.457 3.541 20 0 CHADMP C(C1CCCC1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491060588 332143810 /nfs/dbraw/zinc/14/38/10/332143810.db2.gz LFDCSIOAVXUCRS-SFHVURJKSA-N 2 1 278.484 3.765 20 0 CHADMP Cc1cccc(N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000336657183 335109893 /nfs/dbraw/zinc/10/98/93/335109893.db2.gz MSQVCAMFCVRKJD-WMZOPIPTSA-N 2 1 295.430 3.713 20 0 CHADMP Cc1cccc(N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000336657183 335109895 /nfs/dbraw/zinc/10/98/95/335109895.db2.gz MSQVCAMFCVRKJD-WMZOPIPTSA-N 2 1 295.430 3.713 20 0 CHADMP C[N@H+](CCC[NH2+][C@@H]1CCCc2occc21)Cc1ccccc1 ZINC000336660386 335109949 /nfs/dbraw/zinc/10/99/49/335109949.db2.gz BJLPLYOCIPHXFZ-GOSISDBHSA-N 2 1 298.430 3.769 20 0 CHADMP C[N@@H+](CCC[NH2+][C@@H]1CCCc2occc21)Cc1ccccc1 ZINC000336660386 335109950 /nfs/dbraw/zinc/10/99/50/335109950.db2.gz BJLPLYOCIPHXFZ-GOSISDBHSA-N 2 1 298.430 3.769 20 0 CHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cccc(F)c1 ZINC000252157515 334375299 /nfs/dbraw/zinc/37/52/99/334375299.db2.gz NNXBPODNPURKBV-HUUCEWRRSA-N 2 1 278.415 3.741 20 0 CHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cccc(F)c1 ZINC000252157515 334375301 /nfs/dbraw/zinc/37/53/01/334375301.db2.gz NNXBPODNPURKBV-HUUCEWRRSA-N 2 1 278.415 3.741 20 0 CHADMP CC[C@@H]1C[C@]1([NH2+]CCCn1cc[nH+]c1C)c1cccc(C)c1 ZINC000502596066 332667038 /nfs/dbraw/zinc/66/70/38/332667038.db2.gz ZHICVQVPCMMHRZ-IEBWSBKVSA-N 2 1 297.446 3.805 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](Cc2ccc(C)cc2)C(C)C)CC1 ZINC000159320698 334863336 /nfs/dbraw/zinc/86/33/36/334863336.db2.gz ZRRASJROZSDUQA-IBGZPJMESA-N 2 1 288.479 3.636 20 0 CHADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512135354 332954930 /nfs/dbraw/zinc/95/49/30/332954930.db2.gz IREOGEHQAGUDCM-LSDHHAIUSA-N 2 1 295.496 3.509 20 0 CHADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000513702676 333033800 /nfs/dbraw/zinc/03/38/00/333033800.db2.gz LPOAWJBJJRUBPJ-QXCFHYIPSA-N 2 1 286.463 3.643 20 0 CHADMP CC(C)CC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309691413 333047441 /nfs/dbraw/zinc/04/74/41/333047441.db2.gz CYQFNLWNMVJARZ-HKUYNNGSSA-N 2 1 288.479 3.923 20 0 CHADMP CC(C)CC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309691416 333047455 /nfs/dbraw/zinc/04/74/55/333047455.db2.gz CYQFNLWNMVJARZ-PKOBYXMFSA-N 2 1 288.479 3.923 20 0 CHADMP C[C@@H]([NH2+][C@H]1C[C@@H](C)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309784207 333049317 /nfs/dbraw/zinc/04/93/17/333049317.db2.gz MDIXULVSYYUSTG-DARIXABFSA-N 2 1 286.463 3.531 20 0 CHADMP C[C@@H]([NH2+][C@H]1C[C@@H](C)[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309784210 333049387 /nfs/dbraw/zinc/04/93/87/333049387.db2.gz MDIXULVSYYUSTG-RTYCURFASA-N 2 1 286.463 3.531 20 0 CHADMP CC(C)CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309891357 333050961 /nfs/dbraw/zinc/05/09/61/333050961.db2.gz DUBDXCBVQVOYCN-WMZOPIPTSA-N 2 1 274.452 3.533 20 0 CHADMP CCC(CC)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309884239 333051063 /nfs/dbraw/zinc/05/10/63/333051063.db2.gz YDSUTLRGJORWGJ-DOTOQJQBSA-N 2 1 274.452 3.675 20 0 CHADMP CCC(CC)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309884241 333051086 /nfs/dbraw/zinc/05/10/86/333051086.db2.gz YDSUTLRGJORWGJ-RDJZCZTQSA-N 2 1 274.452 3.675 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000514077358 333065100 /nfs/dbraw/zinc/06/51/00/333065100.db2.gz PSZOSIALXXLHOR-WMZOPIPTSA-N 2 1 274.452 3.596 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000516896319 333085630 /nfs/dbraw/zinc/08/56/30/333085630.db2.gz GIZDARIMIUXBOC-BFHYXJOUSA-N 2 1 294.405 3.818 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000516896319 333085631 /nfs/dbraw/zinc/08/56/31/333085631.db2.gz GIZDARIMIUXBOC-BFHYXJOUSA-N 2 1 294.405 3.818 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CCC3)C2)s1 ZINC000517572824 333103012 /nfs/dbraw/zinc/10/30/12/333103012.db2.gz RUNWVDABAQZJEH-INIZCTEOSA-N 2 1 292.492 3.610 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CCC3)C2)s1 ZINC000517572824 333103013 /nfs/dbraw/zinc/10/30/13/333103013.db2.gz RUNWVDABAQZJEH-INIZCTEOSA-N 2 1 292.492 3.610 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CCC3)C2)s1 ZINC000517572824 333103014 /nfs/dbraw/zinc/10/30/14/333103014.db2.gz RUNWVDABAQZJEH-INIZCTEOSA-N 2 1 292.492 3.610 20 0 CHADMP CCc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336853000 335121521 /nfs/dbraw/zinc/12/15/21/335121521.db2.gz BYAUMLSXXMVKPM-CABCVRRESA-N 2 1 298.430 3.712 20 0 CHADMP CCc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336853000 335121522 /nfs/dbraw/zinc/12/15/22/335121522.db2.gz BYAUMLSXXMVKPM-CABCVRRESA-N 2 1 298.430 3.712 20 0 CHADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000186104815 333155119 /nfs/dbraw/zinc/15/51/19/333155119.db2.gz XWMDNTQVDOHRPN-APWZRJJASA-N 2 1 298.474 3.755 20 0 CHADMP COc1ccsc1[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000186168510 333156201 /nfs/dbraw/zinc/15/62/01/333156201.db2.gz NDYLTUODFBCVCK-GXTWGEPZSA-N 2 1 298.496 3.774 20 0 CHADMP CC(C)(C)C[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000521841655 333192669 /nfs/dbraw/zinc/19/26/69/333192669.db2.gz YOZQEFVJGLNRDS-INIZCTEOSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@@H](CCC1CC1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192921515 333240398 /nfs/dbraw/zinc/24/03/98/333240398.db2.gz HTKNUBKLKSECEQ-LPHOPBHVSA-N 2 1 286.463 3.677 20 0 CHADMP CC[C@@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000227540323 333285452 /nfs/dbraw/zinc/28/54/52/333285452.db2.gz IXPJAADLKYITRS-KURKYZTESA-N 2 1 266.388 3.872 20 0 CHADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000228150296 333295644 /nfs/dbraw/zinc/29/56/44/333295644.db2.gz WOYVXELLERAPPO-GRDNDAEWSA-N 2 1 260.425 3.540 20 0 CHADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000230769030 333321499 /nfs/dbraw/zinc/32/14/99/333321499.db2.gz IBUHEJKXBBFAES-RDJZCZTQSA-N 2 1 278.484 3.808 20 0 CHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000237526294 333380051 /nfs/dbraw/zinc/38/00/51/333380051.db2.gz JYSXLNXPBIDUCN-JKSUJKDBSA-N 2 1 286.463 3.949 20 0 CHADMP c1ccc(C2CCC([NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000315601432 333382689 /nfs/dbraw/zinc/38/26/89/333382689.db2.gz TXHKHMXESMDEAI-NTFDOXNWSA-N 2 1 298.474 3.929 20 0 CHADMP c1ccc(C2CCC([NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000315601432 333382691 /nfs/dbraw/zinc/38/26/91/333382691.db2.gz TXHKHMXESMDEAI-NTFDOXNWSA-N 2 1 298.474 3.929 20 0 CHADMP C/C(Cl)=C\C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000528436884 333437637 /nfs/dbraw/zinc/43/76/37/333437637.db2.gz GMXGNHMGLBNGPF-RPHSKFLZSA-N 2 1 289.810 3.974 20 0 CHADMP CCc1cccnc1[C@H](C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000542488691 333827838 /nfs/dbraw/zinc/82/78/38/333827838.db2.gz URICHVMYHZZLSU-HOTGVXAUSA-N 2 1 289.467 3.559 20 0 CHADMP C[C@H](CC[NH2+][C@H](C)c1ccccc1F)[NH+]1CCCCC1 ZINC000543416425 333872975 /nfs/dbraw/zinc/87/29/75/333872975.db2.gz KRFBKCNGBGABDB-HUUCEWRRSA-N 2 1 278.415 3.741 20 0 CHADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1cccc2ccccc21 ZINC000576169501 335164156 /nfs/dbraw/zinc/16/41/56/335164156.db2.gz JHDWHMPCNZEYQK-HNNXBMFYSA-N 2 1 293.414 3.857 20 0 CHADMP C[NH+]1CCC([NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)CC1 ZINC000132228588 333975392 /nfs/dbraw/zinc/97/53/92/333975392.db2.gz NLNHRDNSEVEFRF-KRWDZBQOSA-N 2 1 292.854 3.865 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000546166154 334017772 /nfs/dbraw/zinc/01/77/72/334017772.db2.gz HMAVMKMHARSIKG-CLCXKQKWSA-N 2 1 286.463 3.699 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000546166154 334017773 /nfs/dbraw/zinc/01/77/73/334017773.db2.gz HMAVMKMHARSIKG-CLCXKQKWSA-N 2 1 286.463 3.699 20 0 CHADMP CCCC[C@H](CC)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000546931221 334055917 /nfs/dbraw/zinc/05/59/17/334055917.db2.gz LUGMFWRGGUIOOU-INIZCTEOSA-N 2 1 265.445 3.730 20 0 CHADMP CCCC[C@H](CC)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000546931221 334055919 /nfs/dbraw/zinc/05/59/19/334055919.db2.gz LUGMFWRGGUIOOU-INIZCTEOSA-N 2 1 265.445 3.730 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000076001511 334065879 /nfs/dbraw/zinc/06/58/79/334065879.db2.gz NKISXFISDZQGOS-IRXDYDNUSA-N 2 1 274.452 3.720 20 0 CHADMP CC[NH+]1CCC([N@H+](C)Cc2csc3ccccc23)CC1 ZINC000077248839 334100325 /nfs/dbraw/zinc/10/03/25/334100325.db2.gz RPIDFHUVPPBFIR-UHFFFAOYSA-N 2 1 288.460 3.817 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)Cc2csc3ccccc23)CC1 ZINC000077248839 334100326 /nfs/dbraw/zinc/10/03/26/334100326.db2.gz RPIDFHUVPPBFIR-UHFFFAOYSA-N 2 1 288.460 3.817 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CC2CCC(C(C)(C)C)CC2)CC[N@H+]1C ZINC000135691792 334136517 /nfs/dbraw/zinc/13/65/17/334136517.db2.gz ODMGJLZSCRUVOY-ZGRYLRDCSA-N 2 1 280.500 3.911 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000081094720 334178235 /nfs/dbraw/zinc/17/82/35/334178235.db2.gz KZIRQHLGYJVDTA-CZUORRHYSA-N 2 1 280.843 3.502 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000081094720 334178236 /nfs/dbraw/zinc/17/82/36/334178236.db2.gz KZIRQHLGYJVDTA-CZUORRHYSA-N 2 1 280.843 3.502 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000081094720 334178239 /nfs/dbraw/zinc/17/82/39/334178239.db2.gz KZIRQHLGYJVDTA-CZUORRHYSA-N 2 1 280.843 3.502 20 0 CHADMP CC(C)[NH+](CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)C(C)C ZINC000549146792 334186397 /nfs/dbraw/zinc/18/63/97/334186397.db2.gz YBQJVLCQIXUQAJ-WDSOQIARSA-N 2 1 288.479 3.887 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCCc3ccccc32)C1 ZINC000245427146 334192008 /nfs/dbraw/zinc/19/20/08/334192008.db2.gz LVRADUGFSNRJIX-APWZRJJASA-N 2 1 286.463 3.728 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000245427146 334192009 /nfs/dbraw/zinc/19/20/09/334192009.db2.gz LVRADUGFSNRJIX-APWZRJJASA-N 2 1 286.463 3.728 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000245427146 334192010 /nfs/dbraw/zinc/19/20/10/334192010.db2.gz LVRADUGFSNRJIX-APWZRJJASA-N 2 1 286.463 3.728 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CCN([C@H](C)c2ccc(F)cc2F)C1 ZINC000245428087 334192317 /nfs/dbraw/zinc/19/23/17/334192317.db2.gz MKTSPBIMKTUMAL-KGLIPLIRSA-N 2 1 296.405 3.690 20 0 CHADMP c1ccc2c(c1)CCC[C@@H]2[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245433129 334192733 /nfs/dbraw/zinc/19/27/33/334192733.db2.gz BSBSADLMZWLCMY-PXNSSMCTSA-N 2 1 298.474 3.872 20 0 CHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+]([C@@H]2C=CCCCCC2)C1 ZINC000549464463 334194587 /nfs/dbraw/zinc/19/45/87/334194587.db2.gz CNLFKFZFGUWNIU-QZTJIDSGSA-N 2 1 276.468 3.539 20 0 CHADMP CC(C)c1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000245623457 334208010 /nfs/dbraw/zinc/20/80/10/334208010.db2.gz XMTDWBOBQPCFOY-GJYPPUQNSA-N 2 1 288.479 3.813 20 0 CHADMP CC(C)c1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000245623457 334208011 /nfs/dbraw/zinc/20/80/11/334208011.db2.gz XMTDWBOBQPCFOY-GJYPPUQNSA-N 2 1 288.479 3.813 20 0 CHADMP CC(C)(C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245642451 334209797 /nfs/dbraw/zinc/20/97/97/334209797.db2.gz BBKJIQCBMFIZOY-NNZMDNLPSA-N 2 1 286.463 3.818 20 0 CHADMP Cc1sccc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000550116132 334213579 /nfs/dbraw/zinc/21/35/79/334213579.db2.gz ONFXTJMYKWZTDO-UHFFFAOYSA-N 2 1 292.492 3.801 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C(C)(C)C ZINC000246974996 334273146 /nfs/dbraw/zinc/27/31/46/334273146.db2.gz JJHCCVXGOZAVIL-HUUCEWRRSA-N 2 1 254.462 3.523 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(F)c2)C[C@@H]1c1ccccc1 ZINC000550605505 334225135 /nfs/dbraw/zinc/22/51/35/334225135.db2.gz GIKQENLYBPWAKT-RTBURBONSA-N 2 1 298.405 3.751 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(F)c2)C[C@@H]1c1ccccc1 ZINC000550605505 334225136 /nfs/dbraw/zinc/22/51/36/334225136.db2.gz GIKQENLYBPWAKT-RTBURBONSA-N 2 1 298.405 3.751 20 0 CHADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)o1 ZINC000550619084 334225547 /nfs/dbraw/zinc/22/55/47/334225547.db2.gz KHOSTAGNECJQOX-MJGOQNOKSA-N 2 1 298.430 3.556 20 0 CHADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)o1 ZINC000550619084 334225548 /nfs/dbraw/zinc/22/55/48/334225548.db2.gz KHOSTAGNECJQOX-MJGOQNOKSA-N 2 1 298.430 3.556 20 0 CHADMP CC(C)[C@H](C)C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550666564 334226469 /nfs/dbraw/zinc/22/64/69/334226469.db2.gz ZOHVYSOKAHWVNP-NJAFHUGGSA-N 2 1 274.452 3.704 20 0 CHADMP CC(C)[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550666564 334226471 /nfs/dbraw/zinc/22/64/71/334226471.db2.gz ZOHVYSOKAHWVNP-NJAFHUGGSA-N 2 1 274.452 3.704 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000247027286 334274250 /nfs/dbraw/zinc/27/42/50/334274250.db2.gz NIYULDTUBNCAML-BPKGMFCQSA-N 2 1 266.473 3.520 20 0 CHADMP CC(C)C1(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000551087047 334238323 /nfs/dbraw/zinc/23/83/23/334238323.db2.gz LDOKMWWNLDCPPQ-ZWKOTPCHSA-N 2 1 286.463 3.848 20 0 CHADMP CC(C)C1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000551087047 334238324 /nfs/dbraw/zinc/23/83/24/334238324.db2.gz LDOKMWWNLDCPPQ-ZWKOTPCHSA-N 2 1 286.463 3.848 20 0 CHADMP CC1(C)CCC[NH+]1CCCC[N@@H+]1CCCC1(C)C ZINC000551732323 334259562 /nfs/dbraw/zinc/25/95/62/334259562.db2.gz GISLFQIXTDILEU-UHFFFAOYSA-N 2 1 252.446 3.515 20 0 CHADMP CC[NH+]1CCC([NH2+]C2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000551817014 334263079 /nfs/dbraw/zinc/26/30/79/334263079.db2.gz HCLRVOTXFAEVLS-UHFFFAOYSA-N 2 1 292.854 3.793 20 0 CHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+]([C@@H]3C=CCCC3)C2)CC1 ZINC000247509711 334283493 /nfs/dbraw/zinc/28/34/93/334283493.db2.gz VSALUWKASWTWLR-ZWKOTPCHSA-N 2 1 276.468 3.539 20 0 CHADMP Cc1ccccc1[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000248135319 334295681 /nfs/dbraw/zinc/29/56/81/334295681.db2.gz XIXDUCCUQVDVII-AEFFLSMTSA-N 2 1 272.436 3.616 20 0 CHADMP Cc1ccccc1[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000248135319 334295682 /nfs/dbraw/zinc/29/56/82/334295682.db2.gz XIXDUCCUQVDVII-AEFFLSMTSA-N 2 1 272.436 3.616 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)CC(C)C)CC1 ZINC000552243515 334307587 /nfs/dbraw/zinc/30/75/87/334307587.db2.gz FJGLDMUKOPMSEK-INIZCTEOSA-N 2 1 268.489 3.865 20 0 CHADMP C[C@H](CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000248744295 334315691 /nfs/dbraw/zinc/31/56/91/334315691.db2.gz AQUZMLVODMBMNT-QRQLOZEOSA-N 2 1 286.463 3.596 20 0 CHADMP C[C@H](CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000248744295 334315692 /nfs/dbraw/zinc/31/56/92/334315692.db2.gz AQUZMLVODMBMNT-QRQLOZEOSA-N 2 1 286.463 3.596 20 0 CHADMP C[C@H](CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000248744295 334315693 /nfs/dbraw/zinc/31/56/93/334315693.db2.gz AQUZMLVODMBMNT-QRQLOZEOSA-N 2 1 286.463 3.596 20 0 CHADMP C[C@@H]1CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000552324911 334317213 /nfs/dbraw/zinc/31/72/13/334317213.db2.gz MOKHSSATWKATFR-RXABAKJHSA-N 2 1 284.447 3.570 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000249314187 334332004 /nfs/dbraw/zinc/33/20/04/334332004.db2.gz MXTZMRXYNLKUIF-LUYZLQTOSA-N 2 1 290.476 3.542 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1C ZINC000251164169 334357626 /nfs/dbraw/zinc/35/76/26/334357626.db2.gz MNAKRGZPBCIJMU-SZMVWBNQSA-N 2 1 272.436 3.581 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251529307 334363465 /nfs/dbraw/zinc/36/34/65/334363465.db2.gz MLSPGLUPEYHFHD-QMTMVMCOSA-N 2 1 282.431 3.960 20 0 CHADMP CCC1CCC(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000251560596 334364231 /nfs/dbraw/zinc/36/42/31/334364231.db2.gz IKYIRWJSBPIYFK-AXRJEEMOSA-N 2 1 266.473 3.521 20 0 CHADMP C[C@@H]1CCC[C@H](CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000251665941 334366431 /nfs/dbraw/zinc/36/64/31/334366431.db2.gz GFQRVPHKZDVFHZ-WRQOLXDDSA-N 2 1 266.473 3.521 20 0 CHADMP C[C@@H]1C[N@H+](Cc2sc3ccccc3c2Cl)CC[C@H]1[NH3+] ZINC000251803116 334369994 /nfs/dbraw/zinc/36/99/94/334369994.db2.gz OARHXENBDPLLFJ-ZYHUDNBSSA-N 2 1 294.851 3.724 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2sc3ccccc3c2Cl)CC[C@H]1[NH3+] ZINC000251803116 334369995 /nfs/dbraw/zinc/36/99/95/334369995.db2.gz OARHXENBDPLLFJ-ZYHUDNBSSA-N 2 1 294.851 3.724 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000252439656 334380057 /nfs/dbraw/zinc/38/00/57/334380057.db2.gz RENKKHDIGMNJHX-CVEARBPZSA-N 2 1 288.479 3.977 20 0 CHADMP CC(C)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252674547 334385047 /nfs/dbraw/zinc/38/50/47/334385047.db2.gz RYFGHEVBWTYEHS-ROUUACIJSA-N 2 1 272.436 3.526 20 0 CHADMP CCCC1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000252675000 334385186 /nfs/dbraw/zinc/38/51/86/334385186.db2.gz WPAMHESSDJMMPT-GQGLESIBSA-N 2 1 264.457 3.562 20 0 CHADMP CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000252711674 334385926 /nfs/dbraw/zinc/38/59/26/334385926.db2.gz KGFZNDNJLYSHLX-RVKKMQEKSA-N 2 1 274.452 3.801 20 0 CHADMP CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000252711674 334385927 /nfs/dbraw/zinc/38/59/27/334385927.db2.gz KGFZNDNJLYSHLX-RVKKMQEKSA-N 2 1 274.452 3.801 20 0 CHADMP C[C@H]([NH2+]CC1(Cc2ccccc2)CCC1)c1c[nH+]ccc1N ZINC000567647138 334745977 /nfs/dbraw/zinc/74/59/77/334745977.db2.gz WGRHATIITYQNTA-HNNXBMFYSA-N 2 1 295.430 3.558 20 0 CHADMP Cn1c[nH+]cc1CC[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000276648324 334804002 /nfs/dbraw/zinc/80/40/02/334804002.db2.gz MASWXTBBZCFRSQ-QGZVFWFLSA-N 2 1 285.435 3.730 20 0 CHADMP CCC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000576692830 335235332 /nfs/dbraw/zinc/23/53/32/335235332.db2.gz LEINXIPPGXMXGV-RTBURBONSA-N 2 1 288.479 3.718 20 0 CHADMP Cn1c[nH+]cc1CCC[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000576833730 335253544 /nfs/dbraw/zinc/25/35/44/335253544.db2.gz BXKLCFLGDCIHBC-LJQANCHMSA-N 2 1 297.446 3.874 20 0 CHADMP CCc1ccc([C@@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)C(C)C)cc1 ZINC000577249990 335329846 /nfs/dbraw/zinc/32/98/46/335329846.db2.gz IGBJYJYAFFBUSJ-APWZRJJASA-N 2 1 297.446 3.816 20 0 CHADMP CCCC(CCC)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000177325582 335370258 /nfs/dbraw/zinc/37/02/58/335370258.db2.gz ZYYHAMPZYDTBEH-UHFFFAOYSA-N 2 1 296.499 3.580 20 0 CHADMP C[N@H+]1CCC[C@H](CNC2c3ccccc3-c3ccccc32)C1 ZINC000194990290 336042080 /nfs/dbraw/zinc/04/20/80/336042080.db2.gz HEYJHRICNYKJDY-OAHLLOKOSA-N 2 1 292.426 3.688 20 0 CHADMP C[N@@H+]1CCC[C@H](C[NH2+]C2c3ccccc3-c3ccccc32)C1 ZINC000194990290 336042081 /nfs/dbraw/zinc/04/20/81/336042081.db2.gz HEYJHRICNYKJDY-OAHLLOKOSA-N 2 1 292.426 3.688 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000386454539 336175440 /nfs/dbraw/zinc/17/54/40/336175440.db2.gz HLBOKMQAXXQIJB-AWEZNQCLSA-N 2 1 285.435 3.840 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)C2(C)CC2)c1 ZINC000161722483 519629645 /nfs/dbraw/zinc/62/96/45/519629645.db2.gz ALBLBZNGJJWXDK-OAHLLOKOSA-N 2 1 274.452 3.805 20 0 CHADMP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000036967531 519798772 /nfs/dbraw/zinc/79/87/72/519798772.db2.gz JUKGSLQGCCQLDH-HQSKLWIPSA-N 2 1 272.436 3.599 20 0 CHADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc(C(F)(F)F)s1 ZINC000339408454 519817729 /nfs/dbraw/zinc/81/77/29/519817729.db2.gz HTARIZVGNVNAFU-LLVKDONJSA-N 2 1 294.386 3.572 20 0 CHADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(C(F)(F)F)s1 ZINC000339408454 519817730 /nfs/dbraw/zinc/81/77/30/519817730.db2.gz HTARIZVGNVNAFU-LLVKDONJSA-N 2 1 294.386 3.572 20 0 CHADMP CC(C)c1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000037248477 519839993 /nfs/dbraw/zinc/83/99/93/519839993.db2.gz UHQQPOFXCJEPRC-AWEZNQCLSA-N 2 1 260.425 3.555 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)c2ccc(F)cc2)C1 ZINC000151132670 519863908 /nfs/dbraw/zinc/86/39/08/519863908.db2.gz GWGZSWRBERPTLQ-PBHICJAKSA-N 2 1 278.415 3.598 20 0 CHADMP CCC[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccsc1 ZINC000278971369 521160442 /nfs/dbraw/zinc/16/04/42/521160442.db2.gz NOOAQUQBTMJCKN-HIFRSBDPSA-N 2 1 289.448 3.638 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000275440359 521582505 /nfs/dbraw/zinc/58/25/05/521582505.db2.gz FANZXEGIJWWEEA-QAPCUYQASA-N 2 1 290.426 3.536 20 0 CHADMP CC[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000052206357 522840354 /nfs/dbraw/zinc/84/03/54/522840354.db2.gz SAKWQDYGKWTFJR-DLBZAZTESA-N 2 1 260.425 3.602 20 0 CHADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277099010 522943925 /nfs/dbraw/zinc/94/39/25/522943925.db2.gz GIZWALAZHMFSLN-IAGOWNOFSA-N 2 1 260.425 3.554 20 0 CHADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(C(F)F)c3)CC[C@@H]21 ZINC000279736563 523834018 /nfs/dbraw/zinc/83/40/18/523834018.db2.gz OKHZQUWPVDPDTK-CVEARBPZSA-N 2 1 294.389 3.540 20 0 CHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(C(F)F)c3)CC[C@@H]21 ZINC000279736563 523834023 /nfs/dbraw/zinc/83/40/23/523834023.db2.gz OKHZQUWPVDPDTK-CVEARBPZSA-N 2 1 294.389 3.540 20 0 CHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(C(F)F)c3)CC[C@@H]21 ZINC000279736563 523834029 /nfs/dbraw/zinc/83/40/29/523834029.db2.gz OKHZQUWPVDPDTK-CVEARBPZSA-N 2 1 294.389 3.540 20 0 CHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(C(F)F)c3)CC[C@@H]21 ZINC000279736563 523834033 /nfs/dbraw/zinc/83/40/33/523834033.db2.gz OKHZQUWPVDPDTK-CVEARBPZSA-N 2 1 294.389 3.540 20 0 CHADMP CC[C@H](C)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000339407569 523879958 /nfs/dbraw/zinc/87/99/58/523879958.db2.gz PJBGPZYOEOCWOH-HOCLYGCPSA-N 2 1 292.492 3.738 20 0 CHADMP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000130347443 524470020 /nfs/dbraw/zinc/47/00/20/524470020.db2.gz WTHKJSLITBKRJU-CGTJXYLNSA-N 2 1 272.436 3.581 20 0 CHADMP COc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000037786237 524721773 /nfs/dbraw/zinc/72/17/73/524721773.db2.gz PMVARCZPJPKBDS-CQSZACIVSA-N 2 1 290.451 3.609 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000120672636 525136086 /nfs/dbraw/zinc/13/60/86/525136086.db2.gz AWVRZNOYUZROJQ-GOSISDBHSA-N 2 1 298.474 3.905 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000129665848 525266191 /nfs/dbraw/zinc/26/61/91/525266191.db2.gz JNZNKAWWMVEMRZ-CJNGLKHVSA-N 2 1 294.870 3.690 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1 ZINC000037140883 525401562 /nfs/dbraw/zinc/40/15/62/525401562.db2.gz YVKAAXWNHBRWHO-GFCCVEGCSA-N 2 1 278.827 3.617 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2ccccc2c1 ZINC000093978078 525616663 /nfs/dbraw/zinc/61/66/63/525616663.db2.gz ZCEYHYFIYXPBTR-VCBZYWHSSA-N 2 1 282.431 3.973 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2ccccc2c1 ZINC000093978078 525616669 /nfs/dbraw/zinc/61/66/69/525616669.db2.gz ZCEYHYFIYXPBTR-VCBZYWHSSA-N 2 1 282.431 3.973 20 0 CHADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(Cl)cn1 ZINC000274943002 525624164 /nfs/dbraw/zinc/62/41/64/525624164.db2.gz TXPLHNGHESAAPX-DOMZBBRYSA-N 2 1 297.874 3.752 20 0 CHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000248994691 525653264 /nfs/dbraw/zinc/65/32/64/525653264.db2.gz ONOATHOTTLMEGW-AXUOBQJMSA-N 2 1 284.447 3.570 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1F ZINC000157470322 525941429 /nfs/dbraw/zinc/94/14/29/525941429.db2.gz SOAJISNWSGOURX-UYHISHBKSA-N 2 1 284.378 3.930 20 0 CHADMP Cc1ccc([C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C2CC2)cc1 ZINC000037648849 525970657 /nfs/dbraw/zinc/97/06/57/525970657.db2.gz UODNGVXQSFUFQB-BEFAXECRSA-N 2 1 284.447 3.520 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C2CC2)cc1 ZINC000129939347 525971490 /nfs/dbraw/zinc/97/14/90/525971490.db2.gz RLTSCSYVHFHCFY-JLSDUUJJSA-N 2 1 272.436 3.518 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C2CC2)cc1 ZINC000129939347 525971497 /nfs/dbraw/zinc/97/14/97/525971497.db2.gz RLTSCSYVHFHCFY-JLSDUUJJSA-N 2 1 272.436 3.518 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277082987 526070831 /nfs/dbraw/zinc/07/08/31/526070831.db2.gz FJKLWDXJJQNWIW-XJKSGUPXSA-N 2 1 280.843 3.817 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277082987 526070839 /nfs/dbraw/zinc/07/08/39/526070839.db2.gz FJKLWDXJJQNWIW-XJKSGUPXSA-N 2 1 280.843 3.817 20 0 CHADMP c1cc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)ccc2s1 ZINC000289913296 526448046 /nfs/dbraw/zinc/44/80/46/526448046.db2.gz UMERMMWMDBESDZ-CVEARBPZSA-N 2 1 286.444 3.618 20 0 CHADMP c1ccc([C@H]2CC[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000130341662 526497703 /nfs/dbraw/zinc/49/77/03/526497703.db2.gz XNBRYFCXUYQHDG-WMZOPIPTSA-N 2 1 284.447 3.539 20 0 CHADMP c1ccc2c(c1)CCCC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140950 526502373 /nfs/dbraw/zinc/50/23/73/526502373.db2.gz OYNPXTWWPNOFKS-LJQANCHMSA-N 2 1 284.447 3.671 20 0 CHADMP CC(C)(C)OCCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000354877382 526549372 /nfs/dbraw/zinc/54/93/72/526549372.db2.gz KEIBEVGDVCNUEO-UHFFFAOYSA-N 2 1 296.499 3.532 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289638293 526785873 /nfs/dbraw/zinc/78/58/73/526785873.db2.gz MHCCVVQGHFZEGF-XYPWUTKMSA-N 2 1 298.430 3.798 20 0 CHADMP Cc1oc2ccccc2c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289638293 526785877 /nfs/dbraw/zinc/78/58/77/526785877.db2.gz MHCCVVQGHFZEGF-XYPWUTKMSA-N 2 1 298.430 3.798 20 0 CHADMP Cc1oc2ccccc2c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289638293 526785881 /nfs/dbraw/zinc/78/58/81/526785881.db2.gz MHCCVVQGHFZEGF-XYPWUTKMSA-N 2 1 298.430 3.798 20 0 CHADMP Clc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000037408190 526948950 /nfs/dbraw/zinc/94/89/50/526948950.db2.gz ZDNIGEUVBALAAV-LBPRGKRZSA-N 2 1 299.245 3.567 20 0 CHADMP Clc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339067107 526984102 /nfs/dbraw/zinc/98/41/02/526984102.db2.gz JAUZFFQKXCTQSP-AHIWAGSCSA-N 2 1 290.838 3.544 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000127431202 527421878 /nfs/dbraw/zinc/42/18/78/527421878.db2.gz AOFSVRSPFVTESY-SFHVURJKSA-N 2 1 283.419 3.713 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(-c2ccc(C)cc2)o1 ZINC000299494259 527431198 /nfs/dbraw/zinc/43/11/98/527431198.db2.gz OFRKTQAPMBOESN-UHFFFAOYSA-N 2 1 295.386 3.550 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCC12CCCC2 ZINC000340233636 527437886 /nfs/dbraw/zinc/43/78/86/527437886.db2.gz ZABYCVZBZDLCLI-GOEBONIOSA-N 2 1 275.440 3.530 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](CCC(C)C)c2ccoc2)C1 ZINC000353437153 527745055 /nfs/dbraw/zinc/74/50/55/527745055.db2.gz DGNSHRISKWBOKU-RDJZCZTQSA-N 2 1 278.440 3.688 20 0 CHADMP CC(C)CC[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccoc1 ZINC000353454269 527809036 /nfs/dbraw/zinc/80/90/36/527809036.db2.gz JDUZZMIQXNDEOA-QGZVFWFLSA-N 2 1 278.440 3.832 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3occc3c2)C[C@H]1C ZINC000347862559 527835481 /nfs/dbraw/zinc/83/54/81/527835481.db2.gz LQLLGZWKCGJTBK-PBHICJAKSA-N 2 1 286.419 3.737 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3occc3c2)C[C@H]1C ZINC000347862559 527835485 /nfs/dbraw/zinc/83/54/85/527835485.db2.gz LQLLGZWKCGJTBK-PBHICJAKSA-N 2 1 286.419 3.737 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3occc3c2)C[C@H]1C ZINC000347862559 527835491 /nfs/dbraw/zinc/83/54/91/527835491.db2.gz LQLLGZWKCGJTBK-PBHICJAKSA-N 2 1 286.419 3.737 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2coc3ccccc23)C[C@@H]1C ZINC000353741208 527835927 /nfs/dbraw/zinc/83/59/27/527835927.db2.gz REVORZAAEAJRGM-HOCLYGCPSA-N 2 1 286.419 3.737 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2coc3ccccc23)C[C@@H]1C ZINC000353741208 527835934 /nfs/dbraw/zinc/83/59/34/527835934.db2.gz REVORZAAEAJRGM-HOCLYGCPSA-N 2 1 286.419 3.737 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2coc3ccccc23)C[C@@H]1C ZINC000353741208 527835939 /nfs/dbraw/zinc/83/59/39/527835939.db2.gz REVORZAAEAJRGM-HOCLYGCPSA-N 2 1 286.419 3.737 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2coc3ccccc23)C[C@@H]1C ZINC000353741208 527835944 /nfs/dbraw/zinc/83/59/44/527835944.db2.gz REVORZAAEAJRGM-HOCLYGCPSA-N 2 1 286.419 3.737 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccc(C)cc32)[C@@H](C)C1 ZINC000352611845 527885735 /nfs/dbraw/zinc/88/57/35/527885735.db2.gz KNWOXNDLGGOMIV-ZYSHUDEJSA-N 2 1 286.463 3.692 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccc(C)cc32)[C@H](C)C1 ZINC000352611842 527886807 /nfs/dbraw/zinc/88/68/07/527886807.db2.gz KNWOXNDLGGOMIV-AYOQOUSVSA-N 2 1 286.463 3.692 20 0 CHADMP CC(C)C[N@H+](Cc1ncc(C[NH+](C)C)s1)CC(C)(C)C ZINC000347871439 527954061 /nfs/dbraw/zinc/95/40/61/527954061.db2.gz RUNJFAADMSRZJO-UHFFFAOYSA-N 2 1 297.512 3.709 20 0 CHADMP CC(C)C[N@@H+](Cc1ncc(C[NH+](C)C)s1)CC(C)(C)C ZINC000347871439 527954067 /nfs/dbraw/zinc/95/40/67/527954067.db2.gz RUNJFAADMSRZJO-UHFFFAOYSA-N 2 1 297.512 3.709 20 0 CHADMP CCC[N@@H+](Cc1cc(C)c2ncccc2c1)C1CC[NH2+]CC1 ZINC000347055893 528129960 /nfs/dbraw/zinc/12/99/60/528129960.db2.gz UTKJUFZVPBXUKE-UHFFFAOYSA-N 2 1 297.446 3.507 20 0 CHADMP CC1CCC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000192924944 528201197 /nfs/dbraw/zinc/20/11/97/528201197.db2.gz FHPJDCRANAGMFW-AVAKVYKDSA-N 2 1 286.463 3.677 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC(C)(C)C[C@H]2C)C1 ZINC000193130940 529015440 /nfs/dbraw/zinc/01/54/40/529015440.db2.gz LSBLBWSLDWCSGE-OWCLPIDISA-N 2 1 266.473 3.521 20 0 CHADMP Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000222015568 1125467721 /nfs/dbraw/zinc/46/77/21/1125467721.db2.gz VZQUMNVNYPDGNL-SZMVWBNQSA-N 2 1 272.436 3.581 20 0 CHADMP Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000222015568 1125467723 /nfs/dbraw/zinc/46/77/23/1125467723.db2.gz VZQUMNVNYPDGNL-SZMVWBNQSA-N 2 1 272.436 3.581 20 0 CHADMP C[C@H]1CCC[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000086670903 1125479218 /nfs/dbraw/zinc/47/92/18/1125479218.db2.gz SIWVEWAYCNDDOC-IRXDYDNUSA-N 2 1 278.484 3.953 20 0 CHADMP CC[C@@H]1CCC[C@H]([NH2+][C@H](C)C[NH+](CC)CC)CC1 ZINC000251678184 1125482648 /nfs/dbraw/zinc/48/26/48/1125482648.db2.gz HULUHDHVUWENBG-OAGGEKHMSA-N 2 1 254.462 3.665 20 0 CHADMP CC(C)[C@H](C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCC1 ZINC000251681218 1125482730 /nfs/dbraw/zinc/48/27/30/1125482730.db2.gz ALOXZIKOAYXVRP-HZMVEIRTSA-N 2 1 266.473 3.521 20 0 CHADMP C[N@@H+](C1CCC([NH3+])CC1)C1CCC(C(C)(C)C)CC1 ZINC000091844118 1118581527 /nfs/dbraw/zinc/58/15/27/1118581527.db2.gz UWEYOHMEUNTFJF-UHFFFAOYSA-N 2 1 266.473 3.793 20 0 CHADMP CCC[C@H](C)CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC001167648744 1119273923 /nfs/dbraw/zinc/27/39/23/1119273923.db2.gz XORLRLKPZJNTEY-ULQDDVLXSA-N 2 1 266.473 3.619 20 0 CHADMP CCC[C@H](C)CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001167648744 1119273926 /nfs/dbraw/zinc/27/39/26/1119273926.db2.gz XORLRLKPZJNTEY-ULQDDVLXSA-N 2 1 266.473 3.619 20 0 CHADMP CCC[C@H](C)CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001167648744 1119273928 /nfs/dbraw/zinc/27/39/28/1119273928.db2.gz XORLRLKPZJNTEY-ULQDDVLXSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H](C[NH2+][C@@H]1CCSc2c(Cl)cccc21)C[NH+](C)C ZINC000425946977 1120524589 /nfs/dbraw/zinc/52/45/89/1120524589.db2.gz YUJWNIWDNCBQPR-SMDDNHRTSA-N 2 1 298.883 3.664 20 0 CHADMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000360860760 1120556929 /nfs/dbraw/zinc/55/69/29/1120556929.db2.gz YZROESHOPPFLPE-RISCZKNCSA-N 2 1 298.883 3.807 20 0 CHADMP CCC(CC)[N@@H+]([C@H]1C[C@H]2C[C@H]2C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001167918413 1121614028 /nfs/dbraw/zinc/61/40/28/1121614028.db2.gz TUKGVSMOLGQLGY-DPGUQAFYSA-N 2 1 264.457 3.545 20 0 CHADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cccc(C(F)(F)F)c1 ZINC000665249960 1123262419 /nfs/dbraw/zinc/26/24/19/1123262419.db2.gz CRYLQTPJFQFRDM-LLVKDONJSA-N 2 1 286.341 3.628 20 0 CHADMP CSc1ccccc1[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000442713695 1123334664 /nfs/dbraw/zinc/33/46/64/1123334664.db2.gz JMDKGHVUMAFCSI-CQSZACIVSA-N 2 1 280.481 3.789 20 0 CHADMP C[N@@H+](CC[NH2+][C@@H]1CCCC12CCCC2)C1CCCC1 ZINC000328154667 1123402780 /nfs/dbraw/zinc/40/27/80/1123402780.db2.gz GGUCFBOTGPPKEZ-MRXNPFEDSA-N 2 1 264.457 3.563 20 0 CHADMP CCC[C@H](C)CCC[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000858406289 1123651344 /nfs/dbraw/zinc/65/13/44/1123651344.db2.gz HCXXSBRSNAEFCW-LSDHHAIUSA-N 2 1 265.445 3.547 20 0 CHADMP CC/C=C\CC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859211850 1123690516 /nfs/dbraw/zinc/69/05/16/1123690516.db2.gz BDWQHHMENOOMJH-SREVYHEPSA-N 2 1 260.425 3.536 20 0 CHADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccsc2Cl)C1 ZINC000866707782 1124094157 /nfs/dbraw/zinc/09/41/57/1124094157.db2.gz JVOKDPWQXSLQCS-AWEZNQCLSA-N 2 1 286.872 3.598 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC000450464174 1125036193 /nfs/dbraw/zinc/03/61/93/1125036193.db2.gz WNEDQDLTTKYXKC-KRWDZBQOSA-N 2 1 264.457 3.541 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC000450464174 1125036199 /nfs/dbraw/zinc/03/61/99/1125036199.db2.gz WNEDQDLTTKYXKC-KRWDZBQOSA-N 2 1 264.457 3.541 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC000450464174 1125036207 /nfs/dbraw/zinc/03/62/07/1125036207.db2.gz WNEDQDLTTKYXKC-KRWDZBQOSA-N 2 1 264.457 3.541 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246644473 1131770457 /nfs/dbraw/zinc/77/04/57/1131770457.db2.gz QEOAKZBHPVHWIU-YESZJQIVSA-N 2 1 266.473 3.665 20 0 CHADMP CCCCCC[C@H](CCC)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001246659973 1131779814 /nfs/dbraw/zinc/77/98/14/1131779814.db2.gz CALNMGAAVLPTQR-XHSDSOJGSA-N 2 1 252.446 3.562 20 0 CHADMP CCCCCC[C@H](CCC)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001246659973 1131779819 /nfs/dbraw/zinc/77/98/19/1131779819.db2.gz CALNMGAAVLPTQR-XHSDSOJGSA-N 2 1 252.446 3.562 20 0 CHADMP CCCC[C@H](CC(C)C)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001173254759 1132423219 /nfs/dbraw/zinc/42/32/19/1132423219.db2.gz AXVKZYKKPWVXOD-ARFHVFGLSA-N 2 1 254.462 3.521 20 0 CHADMP CCCC[C@H](CC(C)C)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001173254759 1132423224 /nfs/dbraw/zinc/42/32/24/1132423224.db2.gz AXVKZYKKPWVXOD-ARFHVFGLSA-N 2 1 254.462 3.521 20 0 CHADMP C[C@H](C[N@@H+](C)CCCCCCC[NH3+])c1ccccc1 ZINC000842472045 1132433547 /nfs/dbraw/zinc/43/35/47/1132433547.db2.gz OCTUAKDRRYQLMC-MRXNPFEDSA-N 2 1 262.441 3.631 20 0 CHADMP CC[C@H]1CC[C@@H]([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173271538 1132436723 /nfs/dbraw/zinc/43/67/23/1132436723.db2.gz QVUVMDLWCCDNMK-LUKYLMHMSA-N 2 1 266.473 3.793 20 0 CHADMP CC(C)[C@H](C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1)[NH+]1CCCC1 ZINC000251851273 1125516536 /nfs/dbraw/zinc/51/65/36/1125516536.db2.gz PABQBLHFOGGENX-HZMVEIRTSA-N 2 1 266.473 3.521 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(SC)cc2)[C@@H](C)C1 ZINC000245444070 1125574740 /nfs/dbraw/zinc/57/47/40/1125574740.db2.gz XTTHDYXQRXGRAP-YOEHRIQHSA-N 2 1 292.492 3.571 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(SC)cc2)[C@@H](C)C1 ZINC000245444070 1125574746 /nfs/dbraw/zinc/57/47/46/1125574746.db2.gz XTTHDYXQRXGRAP-YOEHRIQHSA-N 2 1 292.492 3.571 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(SC)cc2)[C@@H](C)C1 ZINC000245444070 1125574751 /nfs/dbraw/zinc/57/47/51/1125574751.db2.gz XTTHDYXQRXGRAP-YOEHRIQHSA-N 2 1 292.492 3.571 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000245604297 1125584584 /nfs/dbraw/zinc/58/45/84/1125584584.db2.gz JPRSTHSCXRSUOS-QAPCUYQASA-N 2 1 283.419 3.665 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000245604297 1125584587 /nfs/dbraw/zinc/58/45/87/1125584587.db2.gz JPRSTHSCXRSUOS-QAPCUYQASA-N 2 1 283.419 3.665 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H]1CC=CCC1 ZINC000533564923 1125616624 /nfs/dbraw/zinc/61/66/24/1125616624.db2.gz GKYGSPKRRODHOY-QGZVFWFLSA-N 2 1 286.463 3.973 20 0 CHADMP CC(C)c1ccc(CC[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001205981721 1125620995 /nfs/dbraw/zinc/62/09/95/1125620995.db2.gz FZLJKXHCMDUOHP-LPHOPBHVSA-N 2 1 288.479 3.659 20 0 CHADMP c1coc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)c1 ZINC000071009159 1125632453 /nfs/dbraw/zinc/63/24/53/1125632453.db2.gz XCTAZHNDAQBFFI-UHFFFAOYSA-N 2 1 284.403 3.555 20 0 CHADMP C[C@@H](c1ccccc1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072980536 1125637141 /nfs/dbraw/zinc/63/71/41/1125637141.db2.gz IRCUUTJAGAYMDO-RDJZCZTQSA-N 2 1 260.425 3.554 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1C[C@H]1C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000886127958 1125654198 /nfs/dbraw/zinc/65/41/98/1125654198.db2.gz YOFYJRLVWKIOFF-WFEDQXDTSA-N 2 1 290.495 3.665 20 0 CHADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc2ccccc2n1 ZINC000247177562 1125654544 /nfs/dbraw/zinc/65/45/44/1125654544.db2.gz SWNIMJSTWPOJNM-BHYGNILZSA-N 2 1 297.446 3.758 20 0 CHADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000248426575 1125669395 /nfs/dbraw/zinc/66/93/95/1125669395.db2.gz NENQUTSNSDJOAN-VGUREELVSA-N 2 1 276.468 3.584 20 0 CHADMP Cc1oc2ccccc2c1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000248751362 1125674869 /nfs/dbraw/zinc/67/48/69/1125674869.db2.gz UCYVCZOXJUJGEY-PBFPGSCMSA-N 2 1 286.419 3.560 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc2ccccc21 ZINC000237380211 1125692393 /nfs/dbraw/zinc/69/23/93/1125692393.db2.gz ZWOLGJNJSQRLPY-HNNXBMFYSA-N 2 1 293.414 3.771 20 0 CHADMP CCC[C@H]1CCCC[C@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000548159591 1125700776 /nfs/dbraw/zinc/70/07/76/1125700776.db2.gz ADGAIGOKXUBINP-DLBZAZTESA-N 2 1 277.456 3.920 20 0 CHADMP FC(F)c1ccc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000886872710 1125723355 /nfs/dbraw/zinc/72/33/55/1125723355.db2.gz ZDJLTEMRDHWUEE-KRWDZBQOSA-N 2 1 294.389 3.590 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000130048593 1125734879 /nfs/dbraw/zinc/73/48/79/1125734879.db2.gz CVYDHPDWOLDKAV-LMPOIIKSSA-N 2 1 266.473 3.521 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000130048593 1125734886 /nfs/dbraw/zinc/73/48/86/1125734886.db2.gz CVYDHPDWOLDKAV-LMPOIIKSSA-N 2 1 266.473 3.521 20 0 CHADMP c1ccc([C@@H]2C[N@H+](CC3CC[NH2+]CC3)[C@@H]3CCCC[C@@H]23)cc1 ZINC000261918466 1125748150 /nfs/dbraw/zinc/74/81/50/1125748150.db2.gz KDWUDZOZTYNOHU-SLFFLAALSA-N 2 1 298.474 3.644 20 0 CHADMP CC[N@@H+](Cc1ccc2ccccc2c1)C[C@]1(C)CC[NH2+]C1 ZINC000262095550 1125753089 /nfs/dbraw/zinc/75/30/89/1125753089.db2.gz VDVUJPILKYLELS-LJQANCHMSA-N 2 1 282.431 3.661 20 0 CHADMP C/C(=C\c1ccccc1)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000092043407 1125757372 /nfs/dbraw/zinc/75/73/72/1125757372.db2.gz VZMBHMUFPXASOA-IGMRJXIPSA-N 2 1 284.447 3.506 20 0 CHADMP C/C(=C\c1ccccc1)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043407 1125757380 /nfs/dbraw/zinc/75/73/80/1125757380.db2.gz VZMBHMUFPXASOA-IGMRJXIPSA-N 2 1 284.447 3.506 20 0 CHADMP C/C(=C\c1ccccc1)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043407 1125757387 /nfs/dbraw/zinc/75/73/87/1125757387.db2.gz VZMBHMUFPXASOA-IGMRJXIPSA-N 2 1 284.447 3.506 20 0 CHADMP Cc1ccc2c(C)cc(N3CCC[C@H]([NH+](C)C)CC3)[nH+]c2c1 ZINC000428661352 1125786029 /nfs/dbraw/zinc/78/60/29/1125786029.db2.gz SBPZSLQONCUJNF-INIZCTEOSA-N 2 1 297.446 3.772 20 0 CHADMP CC[N@H+]1CCC[C@H](CNc2cc[nH+]c3cc(F)ccc23)C1 ZINC001118579718 1131232212 /nfs/dbraw/zinc/23/22/12/1131232212.db2.gz RHXFWVJHXRTQRG-CYBMUJFWSA-N 2 1 287.382 3.518 20 0 CHADMP CCC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000336831667 1129251687 /nfs/dbraw/zinc/25/16/87/1129251687.db2.gz DMCNDKFFJRTQQN-MRXNPFEDSA-N 2 1 291.826 3.976 20 0 CHADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(Cl)cc1 ZINC000348041583 1129276336 /nfs/dbraw/zinc/27/63/36/1129276336.db2.gz HVUZBLDYKZSTOW-INIZCTEOSA-N 2 1 280.843 3.646 20 0 CHADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(Cl)cc1 ZINC000348041583 1129276339 /nfs/dbraw/zinc/27/63/39/1129276339.db2.gz HVUZBLDYKZSTOW-INIZCTEOSA-N 2 1 280.843 3.646 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC000640351375 1129356094 /nfs/dbraw/zinc/35/60/94/1129356094.db2.gz YBFDMWLHXZHRNP-CQSZACIVSA-N 2 1 265.445 3.586 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@@H](C)C(C)(C)C ZINC000640351375 1129356098 /nfs/dbraw/zinc/35/60/98/1129356098.db2.gz YBFDMWLHXZHRNP-CQSZACIVSA-N 2 1 265.445 3.586 20 0 CHADMP CC[NH+](CC)CCC[NH+]1CCC(OC2CCCCC2)CC1 ZINC000338239147 1126726558 /nfs/dbraw/zinc/72/65/58/1126726558.db2.gz ZRDMRBVFUSDARB-UHFFFAOYSA-N 2 1 296.499 3.532 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000556037536 1126729736 /nfs/dbraw/zinc/72/97/36/1126729736.db2.gz COPYJUFZYHESSL-MOPGFXCFSA-N 2 1 298.405 3.751 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000556037536 1126729739 /nfs/dbraw/zinc/72/97/39/1126729739.db2.gz COPYJUFZYHESSL-MOPGFXCFSA-N 2 1 298.405 3.751 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](CC)[C@H](C)Cc1ccsc1 ZINC000338306984 1126732653 /nfs/dbraw/zinc/73/26/53/1126732653.db2.gz IHYGVNKUUXHHBJ-OAHLLOKOSA-N 2 1 282.497 3.733 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)Cc2ccccc2)C[C@@H]1C ZINC000481993686 1126739289 /nfs/dbraw/zinc/73/92/89/1126739289.db2.gz UUYRMAMWJUISKS-AOIWGVFYSA-N 2 1 288.479 3.670 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)Cc2ccccc2)C[C@@H]1C ZINC000481993686 1126739292 /nfs/dbraw/zinc/73/92/92/1126739292.db2.gz UUYRMAMWJUISKS-AOIWGVFYSA-N 2 1 288.479 3.670 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1ccccc1Cl ZINC000482244980 1126746806 /nfs/dbraw/zinc/74/68/06/1126746806.db2.gz NYNYTTYICSMAJP-CZUORRHYSA-N 2 1 294.870 3.547 20 0 CHADMP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1C ZINC000482330897 1126751195 /nfs/dbraw/zinc/75/11/95/1126751195.db2.gz JCTTXEGTVKHEGL-SCLBCKFNSA-N 2 1 299.462 3.523 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)C(C)(C)C)c1 ZINC000482355628 1126752004 /nfs/dbraw/zinc/75/20/04/1126752004.db2.gz GAEANSDSYJCPAU-AWEZNQCLSA-N 2 1 262.441 3.663 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)CCC2CCCCC2)CC1 ZINC000483144743 1126769922 /nfs/dbraw/zinc/76/99/22/1126769922.db2.gz MZVTVCFSNPQRIP-UHFFFAOYSA-N 2 1 266.473 3.761 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)o1 ZINC000483158466 1126770479 /nfs/dbraw/zinc/77/04/79/1126770479.db2.gz UQGDJDWUOSDTHO-CJNGLKHVSA-N 2 1 280.456 3.859 20 0 CHADMP C/C(=C/c1ccccc1)C[NH2+]CCCCn1cc[nH+]c1C ZINC000174454181 1126770659 /nfs/dbraw/zinc/77/06/59/1126770659.db2.gz WPXCDXQHKIKTIW-PEZBUJJGSA-N 2 1 283.419 3.665 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCCC2CCCC2)C[C@@H]1C ZINC000483218043 1126773709 /nfs/dbraw/zinc/77/37/09/1126773709.db2.gz FNGLZLUQBLQPGT-RDJZCZTQSA-N 2 1 266.473 3.761 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCCC2CCCC2)C[C@@H]1C ZINC000483218043 1126773711 /nfs/dbraw/zinc/77/37/11/1126773711.db2.gz FNGLZLUQBLQPGT-RDJZCZTQSA-N 2 1 266.473 3.761 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCC2CCCC2)C[C@@H]1C ZINC000483218043 1126773715 /nfs/dbraw/zinc/77/37/15/1126773715.db2.gz FNGLZLUQBLQPGT-RDJZCZTQSA-N 2 1 266.473 3.761 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC2CCCCC2)C[C@H]1C ZINC000483285400 1126778980 /nfs/dbraw/zinc/77/89/80/1126778980.db2.gz YGBNKLWVIUBEFD-NVXWUHKLSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc[nH]c2)C1 ZINC000175697998 1126784902 /nfs/dbraw/zinc/78/49/02/1126784902.db2.gz URHRJODERFIDEG-INIZCTEOSA-N 2 1 297.446 3.536 20 0 CHADMP CC[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000251808050 1126795944 /nfs/dbraw/zinc/79/59/44/1126795944.db2.gz OKUQMXJNKFPZOX-DUQJVZAFSA-N 2 1 278.484 3.950 20 0 CHADMP CC[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000251808050 1126795947 /nfs/dbraw/zinc/79/59/47/1126795947.db2.gz OKUQMXJNKFPZOX-DUQJVZAFSA-N 2 1 278.484 3.950 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)C2CCCCC2)cn1 ZINC000177233223 1126798818 /nfs/dbraw/zinc/79/88/18/1126798818.db2.gz GDFXPPGUMRKDKB-AWEZNQCLSA-N 2 1 298.434 3.634 20 0 CHADMP CC[C@@H](C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000177819161 1126805535 /nfs/dbraw/zinc/80/55/35/1126805535.db2.gz KNRFFKASCPMWMV-XYJFISCASA-N 2 1 274.452 3.500 20 0 CHADMP CC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000178697947 1126818052 /nfs/dbraw/zinc/81/80/52/1126818052.db2.gz AMKLVTWVPTXFKK-PBHICJAKSA-N 2 1 271.408 3.569 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000178697958 1126818417 /nfs/dbraw/zinc/81/84/17/1126818417.db2.gz AMKLVTWVPTXFKK-RHSMWYFYSA-N 2 1 271.408 3.569 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccsc2)C1 ZINC000178750861 1126819270 /nfs/dbraw/zinc/81/92/70/1126819270.db2.gz URTYTDUDGXHKLY-UONOGXRCSA-N 2 1 266.454 3.519 20 0 CHADMP CCC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H](CC)c1ccccc1 ZINC000904310291 1126844078 /nfs/dbraw/zinc/84/40/78/1126844078.db2.gz ZIINNVYWJJBUQA-HYVNUMGLSA-N 2 1 260.425 3.587 20 0 CHADMP CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H](C)c1cc2ccccc2o1 ZINC000904312061 1126844290 /nfs/dbraw/zinc/84/42/90/1126844290.db2.gz FJVGWMFAFCMONS-KCQAQPDRSA-N 2 1 272.392 3.553 20 0 CHADMP [NH3+][C@H]1C[C@@H](C[N@@H+](Cc2ccccc2)Cc2ccccc2F)C1 ZINC000904309480 1126844314 /nfs/dbraw/zinc/84/43/14/1126844314.db2.gz LVGRFHJVORESLY-MAEOIBBWSA-N 2 1 298.405 3.565 20 0 CHADMP CC[C@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485465618 1126916026 /nfs/dbraw/zinc/91/60/26/1126916026.db2.gz IYGSAZICJPLAQU-KRWDZBQOSA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1cccc(F)c1 ZINC000188069115 1126919720 /nfs/dbraw/zinc/91/97/20/1126919720.db2.gz CUFBWMHPLFPBEP-QGZVFWFLSA-N 2 1 289.398 3.852 20 0 CHADMP c1ccc(C[C@H]2CC[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000189011765 1126928138 /nfs/dbraw/zinc/92/81/38/1126928138.db2.gz HRIDAEPNHWWXRG-IEBWSBKVSA-N 2 1 298.474 3.614 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CC[C@H](Cc3ccccc3)C1)C2 ZINC000193328050 1126968771 /nfs/dbraw/zinc/96/87/71/1126968771.db2.gz ZVDMBHSVGVGBPS-KGEPEWOVSA-N 2 1 298.474 3.613 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cs1 ZINC000294087109 1129213229 /nfs/dbraw/zinc/21/32/29/1129213229.db2.gz AUFIVELRXCWKPP-ZDUSSCGKSA-N 2 1 266.454 3.580 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)c1cccs1 ZINC001319754028 1126984266 /nfs/dbraw/zinc/98/42/66/1126984266.db2.gz IXLLSTPDILHRDS-KBPBESRZSA-N 2 1 266.454 3.521 20 0 CHADMP CSc1ccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000266930527 1126990735 /nfs/dbraw/zinc/99/07/35/1126990735.db2.gz OQCVDQOSTGXZOK-AWEZNQCLSA-N 2 1 287.432 3.511 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](Cc1cccc(C)c1)C1CC1 ZINC000268913109 1127028391 /nfs/dbraw/zinc/02/83/91/1127028391.db2.gz ZKQSMDFBKGOIKD-IBGZPJMESA-N 2 1 297.446 3.501 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1c1ccccc1C ZINC000269851651 1127047156 /nfs/dbraw/zinc/04/71/56/1127047156.db2.gz HDELQZCWQXEBRF-SFHVURJKSA-N 2 1 283.419 3.727 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1c1ccccc1C ZINC000269851651 1127047159 /nfs/dbraw/zinc/04/71/59/1127047159.db2.gz HDELQZCWQXEBRF-SFHVURJKSA-N 2 1 283.419 3.727 20 0 CHADMP Fc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1Cl ZINC000270274948 1127052845 /nfs/dbraw/zinc/05/28/45/1127052845.db2.gz WYNCYVQAMCQBNB-UHFFFAOYSA-N 2 1 296.817 3.586 20 0 CHADMP C[C@H]1C[C@H]1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000488301783 1127071350 /nfs/dbraw/zinc/07/13/50/1127071350.db2.gz UADZUNNKYHUTBH-HKUYNNGSSA-N 2 1 298.474 3.631 20 0 CHADMP Cc1ccncc1[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000271526930 1127088394 /nfs/dbraw/zinc/08/83/94/1127088394.db2.gz WRDSTQPPLUAHEP-IRXDYDNUSA-N 2 1 289.467 3.695 20 0 CHADMP Cc1ccncc1[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000271526917 1127089195 /nfs/dbraw/zinc/08/91/95/1127089195.db2.gz WRDSTQPPLUAHEP-DLBZAZTESA-N 2 1 289.467 3.695 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000283171196 1127124515 /nfs/dbraw/zinc/12/45/15/1127124515.db2.gz JEXAOJVSVQYUAJ-SNRMKQJTSA-N 2 1 297.446 3.754 20 0 CHADMP CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000570898271 1127137278 /nfs/dbraw/zinc/13/72/78/1127137278.db2.gz JJRIAOURGFCLOI-UAGQMJEPSA-N 2 1 277.456 3.776 20 0 CHADMP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000163876578 1127147475 /nfs/dbraw/zinc/14/74/75/1127147475.db2.gz WQKQTQPZSNKUSB-AWEZNQCLSA-N 2 1 297.874 3.898 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(C)c2ncccc2c1 ZINC000349404123 1127150336 /nfs/dbraw/zinc/15/03/36/1127150336.db2.gz FBQLAMVVTMKTAX-UHFFFAOYSA-N 2 1 299.462 3.707 20 0 CHADMP c1ccc([C@H]2CCC[N@@H+]2C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168379327 1127162869 /nfs/dbraw/zinc/16/28/69/1127162869.db2.gz HSAFEUPEERRIDR-LJQANCHMSA-N 2 1 284.447 3.698 20 0 CHADMP c1ccc([C@@H]2CCC[N@@H+]2C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168379326 1127162937 /nfs/dbraw/zinc/16/29/37/1127162937.db2.gz HSAFEUPEERRIDR-IBGZPJMESA-N 2 1 284.447 3.698 20 0 CHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC2(CCCC2)CC1 ZINC000351403198 1127188966 /nfs/dbraw/zinc/18/89/66/1127188966.db2.gz BVRRJKQPXJOEFM-INIZCTEOSA-N 2 1 264.457 3.517 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000351490636 1127190016 /nfs/dbraw/zinc/19/00/16/1127190016.db2.gz GLDHBZSUCAPTOX-KRWDZBQOSA-N 2 1 264.457 3.541 20 0 CHADMP CSCc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000285693725 1127240617 /nfs/dbraw/zinc/24/06/17/1127240617.db2.gz OHKHLPFNUQFZLR-UHFFFAOYSA-N 2 1 292.492 3.512 20 0 CHADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000353571434 1127270260 /nfs/dbraw/zinc/27/02/60/1127270260.db2.gz PERLZXZWGAOHMR-CHWSQXEVSA-N 2 1 276.415 3.519 20 0 CHADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000353571434 1127270265 /nfs/dbraw/zinc/27/02/65/1127270265.db2.gz PERLZXZWGAOHMR-CHWSQXEVSA-N 2 1 276.415 3.519 20 0 CHADMP Cc1ccc(C2=CCN(CC[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000760804926 1127283079 /nfs/dbraw/zinc/28/30/79/1127283079.db2.gz GTDSPGAVZAQQJP-FQEVSTJZSA-N 2 1 298.474 3.959 20 0 CHADMP Cc1ccc(C2=CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000760804926 1127283080 /nfs/dbraw/zinc/28/30/80/1127283080.db2.gz GTDSPGAVZAQQJP-FQEVSTJZSA-N 2 1 298.474 3.959 20 0 CHADMP Cc1ccc(C2=CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000760804926 1127283082 /nfs/dbraw/zinc/28/30/82/1127283082.db2.gz GTDSPGAVZAQQJP-FQEVSTJZSA-N 2 1 298.474 3.959 20 0 CHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2coc3ccccc23)C1 ZINC000354107330 1127293005 /nfs/dbraw/zinc/29/30/05/1127293005.db2.gz PLMQXQWBUYPKDK-MRXNPFEDSA-N 2 1 298.430 3.597 20 0 CHADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2coc3ccccc23)C1 ZINC000354107330 1127293008 /nfs/dbraw/zinc/29/30/08/1127293008.db2.gz PLMQXQWBUYPKDK-MRXNPFEDSA-N 2 1 298.430 3.597 20 0 CHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2coc3ccccc23)C1 ZINC000354107330 1127293010 /nfs/dbraw/zinc/29/30/10/1127293010.db2.gz PLMQXQWBUYPKDK-MRXNPFEDSA-N 2 1 298.430 3.597 20 0 CHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2coc3ccccc23)C1 ZINC000354107330 1127293013 /nfs/dbraw/zinc/29/30/13/1127293013.db2.gz PLMQXQWBUYPKDK-MRXNPFEDSA-N 2 1 298.430 3.597 20 0 CHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2coc3ccccc23)C1 ZINC000354107330 1127293016 /nfs/dbraw/zinc/29/30/16/1127293016.db2.gz PLMQXQWBUYPKDK-MRXNPFEDSA-N 2 1 298.430 3.597 20 0 CHADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C[C@@H]2CCCC(C)(C)C2)C1 ZINC000573487584 1127316113 /nfs/dbraw/zinc/31/61/13/1127316113.db2.gz LXOKJRCTMDOWJM-BRWVUGGUSA-N 2 1 278.484 3.619 20 0 CHADMP Cc1cc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1F ZINC000591692559 1127313805 /nfs/dbraw/zinc/31/38/05/1127313805.db2.gz MDCAHFNQRNOOEZ-HUUCEWRRSA-N 2 1 292.442 3.592 20 0 CHADMP CC(C)c1ccc(C[N@H+](C)CCCc2c[nH+]cn2C)cc1 ZINC000573503498 1127317441 /nfs/dbraw/zinc/31/74/41/1127317441.db2.gz WGBDYXAMCZCQPO-UHFFFAOYSA-N 2 1 285.435 3.608 20 0 CHADMP CC(C)c1ccc(C[N@@H+](C)CCCc2c[nH+]cn2C)cc1 ZINC000573503498 1127317445 /nfs/dbraw/zinc/31/74/45/1127317445.db2.gz WGBDYXAMCZCQPO-UHFFFAOYSA-N 2 1 285.435 3.608 20 0 CHADMP CSC1(C[NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CCC1 ZINC000356332283 1127383085 /nfs/dbraw/zinc/38/30/85/1127383085.db2.gz FUPCHHLBTSUTHA-INIZCTEOSA-N 2 1 296.524 3.659 20 0 CHADMP CSC1(C[NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CCC1 ZINC000356332283 1127383087 /nfs/dbraw/zinc/38/30/87/1127383087.db2.gz FUPCHHLBTSUTHA-INIZCTEOSA-N 2 1 296.524 3.659 20 0 CHADMP CCC[NH+]1CCC(CNc2cc[nH+]c3ccsc32)CC1 ZINC000357219669 1127388581 /nfs/dbraw/zinc/38/85/81/1127388581.db2.gz NQGHVXVFSBTRAB-UHFFFAOYSA-N 2 1 289.448 3.830 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000358081734 1127401132 /nfs/dbraw/zinc/40/11/32/1127401132.db2.gz MBNPFULAEYAEKE-IIAWOOMASA-N 2 1 277.456 3.632 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cc(C)ccc1C ZINC000358090119 1127402068 /nfs/dbraw/zinc/40/20/68/1127402068.db2.gz VAAWSOJUDRMJQU-GOEBONIOSA-N 2 1 285.435 3.795 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@H]1CCCOc2cc(C)ccc21 ZINC000359274960 1127455844 /nfs/dbraw/zinc/45/58/44/1127455844.db2.gz BCIBSILIYVRKFH-KRWDZBQOSA-N 2 1 290.451 3.530 20 0 CHADMP C[C@H]1CC[C@@]2(CC[N@@H+](Cc3ccc(-n4ccnc4)cc3)C2)C1 ZINC000359295915 1127457484 /nfs/dbraw/zinc/45/74/84/1127457484.db2.gz IGWZMIBVKAXSEH-QFBILLFUSA-N 2 1 295.430 3.884 20 0 CHADMP Cc1scc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1C ZINC000630073885 1127457594 /nfs/dbraw/zinc/45/75/94/1127457594.db2.gz XQVOPKLFWSOTQT-UHFFFAOYSA-N 2 1 292.492 3.815 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)CCCC(F)(F)F ZINC000359623646 1127469797 /nfs/dbraw/zinc/46/97/97/1127469797.db2.gz VMZSUVRTXYZMIK-LBPRGKRZSA-N 2 1 291.361 3.682 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(F)F)cc2)C[C@H]1C ZINC000359615225 1127470339 /nfs/dbraw/zinc/47/03/39/1127470339.db2.gz WZFMENWIAITILV-CJNGLKHVSA-N 2 1 296.405 3.929 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(F)F)cc2)C[C@H]1C ZINC000359615225 1127470341 /nfs/dbraw/zinc/47/03/41/1127470341.db2.gz WZFMENWIAITILV-CJNGLKHVSA-N 2 1 296.405 3.929 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(F)F)cc2)C[C@H]1C ZINC000359615225 1127470343 /nfs/dbraw/zinc/47/03/43/1127470343.db2.gz WZFMENWIAITILV-CJNGLKHVSA-N 2 1 296.405 3.929 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000360328338 1127496173 /nfs/dbraw/zinc/49/61/73/1127496173.db2.gz FPRTULICLSEWOK-RBUKOAKNSA-N 2 1 297.446 3.583 20 0 CHADMP c1cc2c(s1)CCC[C@@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000360500726 1127500789 /nfs/dbraw/zinc/50/07/89/1127500789.db2.gz OFBDETYLPIUNNO-INIZCTEOSA-N 2 1 290.476 3.732 20 0 CHADMP c1cc2c(s1)CCC[C@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000360500727 1127501139 /nfs/dbraw/zinc/50/11/39/1127501139.db2.gz OFBDETYLPIUNNO-MRXNPFEDSA-N 2 1 290.476 3.732 20 0 CHADMP CC(C)C1([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000293748801 1127517518 /nfs/dbraw/zinc/51/75/18/1127517518.db2.gz QCHWLXKFMOHLEO-FUHWJXTLSA-N 2 1 286.463 3.675 20 0 CHADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(C(C)(F)F)cc2)CC1 ZINC000293766630 1127518752 /nfs/dbraw/zinc/51/87/52/1127518752.db2.gz RSTBIQIKTQLPKA-UHFFFAOYSA-N 2 1 296.405 3.761 20 0 CHADMP c1cc(C2CCC2)ccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000294117967 1127549930 /nfs/dbraw/zinc/54/99/30/1127549930.db2.gz NFHOSZIJRQNOIU-MRXNPFEDSA-N 2 1 284.447 3.528 20 0 CHADMP c1cc(C2CCC2)ccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000294171603 1127554654 /nfs/dbraw/zinc/55/46/54/1127554654.db2.gz PWBYCCZIUJGHLC-UHFFFAOYSA-N 2 1 284.447 3.671 20 0 CHADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1CC=CCC1 ZINC001308909693 1127577460 /nfs/dbraw/zinc/57/74/60/1127577460.db2.gz KGRIQSOFSIKGPT-QGZVFWFLSA-N 2 1 278.484 3.643 20 0 CHADMP CCC[C@@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295054918 1127617492 /nfs/dbraw/zinc/61/74/92/1127617492.db2.gz PVOBAEIYXYBJPP-QBUWPKIASA-N 2 1 286.463 3.613 20 0 CHADMP C[C@@H]([NH2+]CCC(C)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295584952 1127647009 /nfs/dbraw/zinc/64/70/09/1127647009.db2.gz BQONSQKKPWLTJH-ZBFHGGJFSA-N 2 1 296.405 3.532 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC(C)(F)F)cc1 ZINC000296210693 1127664844 /nfs/dbraw/zinc/66/48/44/1127664844.db2.gz ZTIZREGTMJOJDI-GFCCVEGCSA-N 2 1 293.361 3.877 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000363485633 1127674002 /nfs/dbraw/zinc/67/40/02/1127674002.db2.gz BFCJJRRGKOKDGY-INIZCTEOSA-N 2 1 289.810 3.682 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000363485633 1127674003 /nfs/dbraw/zinc/67/40/03/1127674003.db2.gz BFCJJRRGKOKDGY-INIZCTEOSA-N 2 1 289.810 3.682 20 0 CHADMP CC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccsc1 ZINC000297960566 1127712452 /nfs/dbraw/zinc/71/24/52/1127712452.db2.gz ZGHPXQRYDBLWIK-DOMZBBRYSA-N 2 1 277.437 3.630 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000371685199 1127774731 /nfs/dbraw/zinc/77/47/31/1127774731.db2.gz JXJIIADQMJOQSZ-WTLGNFPFSA-N 2 1 297.446 3.609 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000371709033 1127776484 /nfs/dbraw/zinc/77/64/84/1127776484.db2.gz IIOCKOPSYXCMFB-LJQANCHMSA-N 2 1 297.446 3.770 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000371709033 1127776489 /nfs/dbraw/zinc/77/64/89/1127776489.db2.gz IIOCKOPSYXCMFB-LJQANCHMSA-N 2 1 297.446 3.770 20 0 CHADMP C[C@@H]1CCC[NH+](CCCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000607150441 1127793149 /nfs/dbraw/zinc/79/31/49/1127793149.db2.gz QYDDCMQJQQITTG-CALCHBBNSA-N 2 1 266.473 3.621 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCCC[NH+]2CCC[C@H](C)C2)C1 ZINC000607150441 1127793151 /nfs/dbraw/zinc/79/31/51/1127793151.db2.gz QYDDCMQJQQITTG-CALCHBBNSA-N 2 1 266.473 3.621 20 0 CHADMP C[C@@H]1CCC[N@H+](CCCCC[NH+]2CCC[C@H](C)C2)C1 ZINC000607150441 1127793155 /nfs/dbraw/zinc/79/31/55/1127793155.db2.gz QYDDCMQJQQITTG-CALCHBBNSA-N 2 1 266.473 3.621 20 0 CHADMP CC[C@@H]1C[C@@H](C)C[NH+]1C[C@H](C)C[N@@H+]1C[C@@H](C)C[C@H]1CC ZINC000608758184 1127888596 /nfs/dbraw/zinc/88/85/96/1127888596.db2.gz OWUIGQGAHACDSX-DISONHOPSA-N 2 1 280.500 3.863 20 0 CHADMP CC[C@@H]1C[C@H](C)C[NH+]1C[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H]1CC ZINC000608758184 1127888602 /nfs/dbraw/zinc/88/86/02/1127888602.db2.gz OWUIGQGAHACDSX-DISONHOPSA-N 2 1 280.500 3.863 20 0 CHADMP CC[C@@H]1C[C@H](C)C[NH+]1C[C@@H](C)C[N@H+]1C[C@H](C)C[C@H]1CC ZINC000608758184 1127888605 /nfs/dbraw/zinc/88/86/05/1127888605.db2.gz OWUIGQGAHACDSX-DISONHOPSA-N 2 1 280.500 3.863 20 0 CHADMP c1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000374481484 1127900435 /nfs/dbraw/zinc/90/04/35/1127900435.db2.gz NBGCQYJOAMOBMY-FCGDIQPGSA-N 2 1 284.447 3.539 20 0 CHADMP C[N@H+](CCc1cccc2ccccc21)CC[C@@H]1CCC[NH+]1C ZINC000535472851 1127916733 /nfs/dbraw/zinc/91/67/33/1127916733.db2.gz UUGVKRMLISZRQT-IBGZPJMESA-N 2 1 296.458 3.798 20 0 CHADMP C[NH+](CCc1cccc2ccccc21)CC[C@@H]1CCC[N@@H+]1C ZINC000535472851 1127916736 /nfs/dbraw/zinc/91/67/36/1127916736.db2.gz UUGVKRMLISZRQT-IBGZPJMESA-N 2 1 296.458 3.798 20 0 CHADMP C[NH+](CCc1cccc2ccccc21)CC[C@@H]1CCC[N@H+]1C ZINC000535472851 1127916740 /nfs/dbraw/zinc/91/67/40/1127916740.db2.gz UUGVKRMLISZRQT-IBGZPJMESA-N 2 1 296.458 3.798 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccnc3ccccc23)C[C@@H]1C ZINC000539816843 1127942371 /nfs/dbraw/zinc/94/23/71/1127942371.db2.gz HAJOTDHWUJYASV-RDJZCZTQSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccnc3ccccc23)C[C@@H]1C ZINC000539816843 1127942372 /nfs/dbraw/zinc/94/23/72/1127942372.db2.gz HAJOTDHWUJYASV-RDJZCZTQSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccnc3ccccc23)C[C@@H]1C ZINC000539816843 1127942374 /nfs/dbraw/zinc/94/23/74/1127942374.db2.gz HAJOTDHWUJYASV-RDJZCZTQSA-N 2 1 297.446 3.539 20 0 CHADMP CC[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000539822865 1127943183 /nfs/dbraw/zinc/94/31/83/1127943183.db2.gz VIRNJVKVGDSMFG-LZLYRXPVSA-N 2 1 274.452 3.595 20 0 CHADMP CC[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000539822865 1127943185 /nfs/dbraw/zinc/94/31/85/1127943185.db2.gz VIRNJVKVGDSMFG-LZLYRXPVSA-N 2 1 274.452 3.595 20 0 CHADMP CC[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000539822865 1127943187 /nfs/dbraw/zinc/94/31/87/1127943187.db2.gz VIRNJVKVGDSMFG-LZLYRXPVSA-N 2 1 274.452 3.595 20 0 CHADMP CC[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000539822865 1127943189 /nfs/dbraw/zinc/94/31/89/1127943189.db2.gz VIRNJVKVGDSMFG-LZLYRXPVSA-N 2 1 274.452 3.595 20 0 CHADMP C[N@H+](CCCCNc1cc[nH+]c2ccsc21)C1CC1 ZINC000413349177 1127949286 /nfs/dbraw/zinc/94/92/86/1127949286.db2.gz QVZKKAMXDSNCMY-UHFFFAOYSA-N 2 1 275.421 3.583 20 0 CHADMP C[N@@H+](CCCCNc1cc[nH+]c2ccsc21)C1CC1 ZINC000413349177 1127949289 /nfs/dbraw/zinc/94/92/89/1127949289.db2.gz QVZKKAMXDSNCMY-UHFFFAOYSA-N 2 1 275.421 3.583 20 0 CHADMP CC[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC(C)(C)C ZINC000539862559 1127949558 /nfs/dbraw/zinc/94/95/58/1127949558.db2.gz DIRVDSKDBWVWLJ-GOSISDBHSA-N 2 1 288.479 3.877 20 0 CHADMP CC[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(C)(C)C ZINC000539862559 1127949562 /nfs/dbraw/zinc/94/95/62/1127949562.db2.gz DIRVDSKDBWVWLJ-GOSISDBHSA-N 2 1 288.479 3.877 20 0 CHADMP CC[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(C)(C)C ZINC000539862559 1127949565 /nfs/dbraw/zinc/94/95/65/1127949565.db2.gz DIRVDSKDBWVWLJ-GOSISDBHSA-N 2 1 288.479 3.877 20 0 CHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C4CCCC4)CC[C@H]32)cc1 ZINC000540066168 1127959120 /nfs/dbraw/zinc/95/91/20/1127959120.db2.gz MJHJNIIYBNBTLY-UYAOXDASSA-N 2 1 298.474 3.916 20 0 CHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C4CCCC4)CC[C@H]32)cc1 ZINC000540066168 1127959123 /nfs/dbraw/zinc/95/91/23/1127959123.db2.gz MJHJNIIYBNBTLY-UYAOXDASSA-N 2 1 298.474 3.916 20 0 CHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C4CCCC4)CC[C@H]32)cc1 ZINC000540066168 1127959126 /nfs/dbraw/zinc/95/91/26/1127959126.db2.gz MJHJNIIYBNBTLY-UYAOXDASSA-N 2 1 298.474 3.916 20 0 CHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C4CCCC4)CC[C@@H]32)cc1 ZINC000540066166 1127959388 /nfs/dbraw/zinc/95/93/88/1127959388.db2.gz MJHJNIIYBNBTLY-QUCCMNQESA-N 2 1 298.474 3.916 20 0 CHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C4CCCC4)CC[C@@H]32)cc1 ZINC000540066166 1127959392 /nfs/dbraw/zinc/95/93/92/1127959392.db2.gz MJHJNIIYBNBTLY-QUCCMNQESA-N 2 1 298.474 3.916 20 0 CHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C4CCCC4)CC[C@@H]32)cc1 ZINC000540066166 1127959397 /nfs/dbraw/zinc/95/93/97/1127959397.db2.gz MJHJNIIYBNBTLY-QUCCMNQESA-N 2 1 298.474 3.916 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000540141930 1127962389 /nfs/dbraw/zinc/96/23/89/1127962389.db2.gz LFBUVDTZGUGQHJ-RYRKJORJSA-N 2 1 286.463 3.675 20 0 CHADMP CCc1ccc([C@@H]([NH2+]C[C@H]2CC[N@H+](CC)C2)C(C)C)cc1 ZINC000540259195 1127971782 /nfs/dbraw/zinc/97/17/82/1127971782.db2.gz ONPUGBHIWUKNPA-MJGOQNOKSA-N 2 1 288.479 3.878 20 0 CHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)CC1CCCCC1 ZINC000544609984 1127978634 /nfs/dbraw/zinc/97/86/34/1127978634.db2.gz IDFJIAMSOOCAEJ-ZMSDIMECSA-N 2 1 266.473 3.665 20 0 CHADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000540588689 1127986151 /nfs/dbraw/zinc/98/61/51/1127986151.db2.gz AHZOVVNCHJWMLM-MSOLQXFVSA-N 2 1 272.436 3.602 20 0 CHADMP C[N@@H+]1CCCC12CC[NH+](CC1CCCCCC1)CC2 ZINC000545170809 1128004039 /nfs/dbraw/zinc/00/40/39/1128004039.db2.gz UAPNEJZAJMAFOW-UHFFFAOYSA-N 2 1 264.457 3.517 20 0 CHADMP C[N@H+]1CCCC12CC[NH+](CC1CCCCCC1)CC2 ZINC000545170809 1128004042 /nfs/dbraw/zinc/00/40/42/1128004042.db2.gz UAPNEJZAJMAFOW-UHFFFAOYSA-N 2 1 264.457 3.517 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CCCCC(C)(C)C)[C@H](C)C1 ZINC000469056995 1128033614 /nfs/dbraw/zinc/03/36/14/1128033614.db2.gz UAFPIDORCIKEAV-CABCVRRESA-N 2 1 254.462 3.523 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000469270031 1128039799 /nfs/dbraw/zinc/03/97/99/1128039799.db2.gz ZTXKXGBYBGQJHE-NCOADZHNSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(Cl)c1 ZINC000470197862 1128065820 /nfs/dbraw/zinc/06/58/20/1128065820.db2.gz LSQQFVHXHVVXOM-KBRIMQKVSA-N 2 1 292.854 3.660 20 0 CHADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(Cl)c1 ZINC000470197862 1128065824 /nfs/dbraw/zinc/06/58/24/1128065824.db2.gz LSQQFVHXHVVXOM-KBRIMQKVSA-N 2 1 292.854 3.660 20 0 CHADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCc2ccc(Cl)cc2)C1 ZINC000173898200 1128094263 /nfs/dbraw/zinc/09/42/63/1128094263.db2.gz RCJNGBGFLYLJKW-MRXNPFEDSA-N 2 1 294.870 3.546 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC000173898200 1128094265 /nfs/dbraw/zinc/09/42/65/1128094265.db2.gz RCJNGBGFLYLJKW-MRXNPFEDSA-N 2 1 294.870 3.546 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC000173898200 1128094268 /nfs/dbraw/zinc/09/42/68/1128094268.db2.gz RCJNGBGFLYLJKW-MRXNPFEDSA-N 2 1 294.870 3.546 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000174211659 1128098115 /nfs/dbraw/zinc/09/81/15/1128098115.db2.gz NMNAUPQUMMLZGH-VQIMIIECSA-N 2 1 286.463 3.728 20 0 CHADMP CCC(CC)c1cc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)on1 ZINC000925514472 1128130490 /nfs/dbraw/zinc/13/04/90/1128130490.db2.gz FOSTZGBGWBYCLM-UONOGXRCSA-N 2 1 293.455 3.574 20 0 CHADMP CSC1CCC(C[NH2+][C@@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000925802288 1128142515 /nfs/dbraw/zinc/14/25/15/1128142515.db2.gz KYKJLPHWOKLZGS-VFNXUKNFSA-N 2 1 292.492 3.586 20 0 CHADMP CCCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000219234391 1128163390 /nfs/dbraw/zinc/16/33/90/1128163390.db2.gz WPBGIJPNXSSNOQ-SZMVWBNQSA-N 2 1 274.452 3.990 20 0 CHADMP CCCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000219234391 1128163392 /nfs/dbraw/zinc/16/33/92/1128163392.db2.gz WPBGIJPNXSSNOQ-SZMVWBNQSA-N 2 1 274.452 3.990 20 0 CHADMP Cc1cccc2c1[C@@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CC2 ZINC000926336892 1128167306 /nfs/dbraw/zinc/16/73/06/1128167306.db2.gz JAYUBTRNUVKEFO-ABHNRTSZSA-N 2 1 284.447 3.589 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205103109 1128171514 /nfs/dbraw/zinc/17/15/14/1128171514.db2.gz ZDJOPZHUEVEWMD-ZDUSSCGKSA-N 2 1 274.433 3.523 20 0 CHADMP CCCC(CCC)[NH2+][C@H]1CC[N@@H+](C(CC)CC)C1 ZINC001257333129 1128246010 /nfs/dbraw/zinc/24/60/10/1128246010.db2.gz LWSJGMGQEREYFE-HNNXBMFYSA-N 2 1 254.462 3.808 20 0 CHADMP CCCC(CCC)[NH2+][C@H]1CC[N@H+](C(CC)CC)C1 ZINC001257333129 1128246011 /nfs/dbraw/zinc/24/60/11/1128246011.db2.gz LWSJGMGQEREYFE-HNNXBMFYSA-N 2 1 254.462 3.808 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@@H](C)[C@@H]2C)c1 ZINC000494906685 1128210751 /nfs/dbraw/zinc/21/07/51/1128210751.db2.gz XGUOFKHINWEXPL-VKJFTORMSA-N 2 1 274.452 3.661 20 0 CHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2C[C@@H](C)[C@H]2C)CC1 ZINC000495074386 1128228019 /nfs/dbraw/zinc/22/80/19/1128228019.db2.gz MFZRRLWDTAZMAH-NNFUDEMPSA-N 2 1 286.463 3.846 20 0 CHADMP CCC[C@H](C)[N@@H+](C(CC)CC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257313093 1128231207 /nfs/dbraw/zinc/23/12/07/1128231207.db2.gz KMWOWOQIRAMVAO-DZKIICNBSA-N 2 1 254.462 3.936 20 0 CHADMP CCCC1CCC(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)CC1 ZINC000495108010 1128232583 /nfs/dbraw/zinc/23/25/83/1128232583.db2.gz KIPMINBDLMYIRF-HIEASXQVSA-N 2 1 278.484 3.619 20 0 CHADMP CCCC1CCC(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)CC1 ZINC000495108010 1128232587 /nfs/dbraw/zinc/23/25/87/1128232587.db2.gz KIPMINBDLMYIRF-HIEASXQVSA-N 2 1 278.484 3.619 20 0 CHADMP CCCC1CCC(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000495108010 1128232591 /nfs/dbraw/zinc/23/25/91/1128232591.db2.gz KIPMINBDLMYIRF-HIEASXQVSA-N 2 1 278.484 3.619 20 0 CHADMP CCCC1CCC(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000495108010 1128232596 /nfs/dbraw/zinc/23/25/96/1128232596.db2.gz KIPMINBDLMYIRF-HIEASXQVSA-N 2 1 278.484 3.619 20 0 CHADMP CC(C)c1cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)ccc1Cl ZINC001205123672 1128239784 /nfs/dbraw/zinc/23/97/84/1128239784.db2.gz DXZRZMDGIKRYRC-CQSZACIVSA-N 2 1 280.843 3.777 20 0 CHADMP CC(C)c1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)ccc1Cl ZINC001205123672 1128239786 /nfs/dbraw/zinc/23/97/86/1128239786.db2.gz DXZRZMDGIKRYRC-CQSZACIVSA-N 2 1 280.843 3.777 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@H](C)C3CC3)C2)s1 ZINC000930374185 1128316351 /nfs/dbraw/zinc/31/63/51/1128316351.db2.gz RPBJOXWTBJJNOS-CABCVRRESA-N 2 1 292.492 3.609 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@H](C)C3CC3)C2)s1 ZINC000930374185 1128316355 /nfs/dbraw/zinc/31/63/55/1128316355.db2.gz RPBJOXWTBJJNOS-CABCVRRESA-N 2 1 292.492 3.609 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@H](C)C3CC3)C2)s1 ZINC000930374185 1128316359 /nfs/dbraw/zinc/31/63/59/1128316359.db2.gz RPBJOXWTBJJNOS-CABCVRRESA-N 2 1 292.492 3.609 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@H](C)C3CC3)C2)s1 ZINC000930374185 1128316362 /nfs/dbraw/zinc/31/63/62/1128316362.db2.gz RPBJOXWTBJJNOS-CABCVRRESA-N 2 1 292.492 3.609 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC[N@H+]1C ZINC000316741945 1128335556 /nfs/dbraw/zinc/33/55/56/1128335556.db2.gz IARUVLWFJKZXKS-QWQRMKEZSA-N 2 1 297.446 3.618 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC000322637091 1128347705 /nfs/dbraw/zinc/34/77/05/1128347705.db2.gz XCSUUDAWFMVVFT-CCNLRDMRSA-N 2 1 272.436 3.579 20 0 CHADMP C[C@@H](C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C(C)(C)C ZINC000670264751 1128375477 /nfs/dbraw/zinc/37/54/77/1128375477.db2.gz UJXGFTRKBOOYKF-JKSUJKDBSA-N 2 1 266.473 3.619 20 0 CHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C)cc1 ZINC000562090616 1128378065 /nfs/dbraw/zinc/37/80/65/1128378065.db2.gz CMDLILGKGUNUHT-ARFHVFGLSA-N 2 1 292.467 3.506 20 0 CHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000562090616 1128378067 /nfs/dbraw/zinc/37/80/67/1128378067.db2.gz CMDLILGKGUNUHT-ARFHVFGLSA-N 2 1 292.467 3.506 20 0 CHADMP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(C)(C)C ZINC000670268946 1128380269 /nfs/dbraw/zinc/38/02/69/1128380269.db2.gz UKUGTSWUCKNPKG-HRCADAONSA-N 2 1 280.500 3.911 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CC34CCCCC4)CC2)cc1 ZINC000387357342 1128393637 /nfs/dbraw/zinc/39/36/37/1128393637.db2.gz WABZKFXBYNEYJB-IBGZPJMESA-N 2 1 298.474 3.963 20 0 CHADMP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000036996418 1128404284 /nfs/dbraw/zinc/40/42/84/1128404284.db2.gz FUGUQYHACDBWBM-RYQLBKOJSA-N 2 1 272.436 3.581 20 0 CHADMP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000036996418 1128404285 /nfs/dbraw/zinc/40/42/85/1128404285.db2.gz FUGUQYHACDBWBM-RYQLBKOJSA-N 2 1 272.436 3.581 20 0 CHADMP CC(C)(C)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996422 1128404418 /nfs/dbraw/zinc/40/44/18/1128404418.db2.gz BQIOBZNJSWPFCJ-ZWKOTPCHSA-N 2 1 286.463 3.701 20 0 CHADMP CC(C)(C)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996422 1128404419 /nfs/dbraw/zinc/40/44/19/1128404419.db2.gz BQIOBZNJSWPFCJ-ZWKOTPCHSA-N 2 1 286.463 3.701 20 0 CHADMP CCCC1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000036996351 1128404632 /nfs/dbraw/zinc/40/46/32/1128404632.db2.gz KBXZCINJJOAJOR-BHUNQDJPSA-N 2 1 264.457 3.562 20 0 CHADMP CCCC1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000036996351 1128404634 /nfs/dbraw/zinc/40/46/34/1128404634.db2.gz KBXZCINJJOAJOR-BHUNQDJPSA-N 2 1 264.457 3.562 20 0 CHADMP CCC(C)(C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000562778812 1128419879 /nfs/dbraw/zinc/41/98/79/1128419879.db2.gz JZABQJAHJFGSEO-LSDHHAIUSA-N 2 1 254.462 3.521 20 0 CHADMP CCC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000562778810 1128419923 /nfs/dbraw/zinc/41/99/23/1128419923.db2.gz JZABQJAHJFGSEO-GJZGRUSLSA-N 2 1 254.462 3.521 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc3ccccc32)CCN1C ZINC000123412633 1128420292 /nfs/dbraw/zinc/42/02/92/1128420292.db2.gz RLLIQNJUMYSWCI-QAPCUYQASA-N 2 1 282.431 3.754 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc3ccccc32)CC[N@@H+]1C ZINC000123412633 1128420294 /nfs/dbraw/zinc/42/02/94/1128420294.db2.gz RLLIQNJUMYSWCI-QAPCUYQASA-N 2 1 282.431 3.754 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc3ccccc32)CC[N@H+]1C ZINC000123412633 1128420298 /nfs/dbraw/zinc/42/02/98/1128420298.db2.gz RLLIQNJUMYSWCI-QAPCUYQASA-N 2 1 282.431 3.754 20 0 CHADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc3ccccc32)CC[NH+]1C ZINC000123412633 1128420299 /nfs/dbraw/zinc/42/02/99/1128420299.db2.gz RLLIQNJUMYSWCI-QAPCUYQASA-N 2 1 282.431 3.754 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc3ccccc32)CC[NH+]1C ZINC000123412633 1128420302 /nfs/dbraw/zinc/42/03/02/1128420302.db2.gz RLLIQNJUMYSWCI-QAPCUYQASA-N 2 1 282.431 3.754 20 0 CHADMP C[NH+]1CCC2(CCC[N@@H+](C/C=C/c3ccccc3)C2)CC1 ZINC000798956903 1128423312 /nfs/dbraw/zinc/42/33/12/1128423312.db2.gz HHEOMIWAPOWCOT-WEVVVXLNSA-N 2 1 284.447 3.508 20 0 CHADMP CCCC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000037648875 1128434769 /nfs/dbraw/zinc/43/47/69/1128434769.db2.gz FTSNKAOAMDKEAU-APWZRJJASA-N 2 1 286.463 3.992 20 0 CHADMP CCCC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000037648874 1128434917 /nfs/dbraw/zinc/43/49/17/1128434917.db2.gz FTSNKAOAMDKEAU-QFBILLFUSA-N 2 1 286.463 3.992 20 0 CHADMP C[N@@H+](CCCNCc1cccc(F)c1)C1CCCCC1 ZINC000037860287 1128436442 /nfs/dbraw/zinc/43/64/42/1128436442.db2.gz UGFJFIVFSZKDGF-UHFFFAOYSA-N 2 1 278.415 3.570 20 0 CHADMP C[N@H+](CCC[NH2+]Cc1cccc(F)c1)C1CCCCC1 ZINC000037860287 1128436443 /nfs/dbraw/zinc/43/64/43/1128436443.db2.gz UGFJFIVFSZKDGF-UHFFFAOYSA-N 2 1 278.415 3.570 20 0 CHADMP C[N@@H+](CCC[NH2+]Cc1cccc(F)c1)C1CCCCC1 ZINC000037860287 1128436445 /nfs/dbraw/zinc/43/64/45/1128436445.db2.gz UGFJFIVFSZKDGF-UHFFFAOYSA-N 2 1 278.415 3.570 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001257463112 1128442494 /nfs/dbraw/zinc/44/24/94/1128442494.db2.gz JFKQEKQJTYIWRQ-HRCADAONSA-N 2 1 254.462 3.523 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)o1 ZINC000126005794 1128460024 /nfs/dbraw/zinc/46/00/24/1128460024.db2.gz RKZHTGBBGIDMET-GJZGRUSLSA-N 2 1 278.440 3.613 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)o1 ZINC000126005794 1128460026 /nfs/dbraw/zinc/46/00/26/1128460026.db2.gz RKZHTGBBGIDMET-GJZGRUSLSA-N 2 1 278.440 3.613 20 0 CHADMP C[NH+](C)C1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000127887735 1128483879 /nfs/dbraw/zinc/48/38/79/1128483879.db2.gz TUDSTLXEVFQBFO-UHFFFAOYSA-N 2 1 292.426 3.782 20 0 CHADMP CC(C)c1ccc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000127941953 1128484063 /nfs/dbraw/zinc/48/40/63/1128484063.db2.gz DZEBOQBUVSQOGI-QFBILLFUSA-N 2 1 288.479 3.815 20 0 CHADMP CC(C)Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000563904461 1128484132 /nfs/dbraw/zinc/48/41/32/1128484132.db2.gz YYZPUCULLKLRSZ-SJLPKXTDSA-N 2 1 288.479 3.878 20 0 CHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]CC2(C)CC2)C1 ZINC000564023766 1128490501 /nfs/dbraw/zinc/49/05/01/1128490501.db2.gz OPJMVHZTVRKQJU-INIZCTEOSA-N 2 1 286.463 3.808 20 0 CHADMP CCC1CC([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000564067289 1128492248 /nfs/dbraw/zinc/49/22/48/1128492248.db2.gz SGKCUWWPIFLPEB-YQBZFSLMSA-N 2 1 286.463 3.675 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000564426857 1128508529 /nfs/dbraw/zinc/50/85/29/1128508529.db2.gz YRVQMRRJFBEIAQ-HAGHYFMRSA-N 2 1 298.474 3.881 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000564426857 1128508533 /nfs/dbraw/zinc/50/85/33/1128508533.db2.gz YRVQMRRJFBEIAQ-HAGHYFMRSA-N 2 1 298.474 3.881 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000564426857 1128508536 /nfs/dbraw/zinc/50/85/36/1128508536.db2.gz YRVQMRRJFBEIAQ-HAGHYFMRSA-N 2 1 298.474 3.881 20 0 CHADMP CCCCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040622457 1128525442 /nfs/dbraw/zinc/52/54/42/1128525442.db2.gz MOVFOPUFFDOOGI-CVEARBPZSA-N 2 1 254.462 3.665 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1CC(C)C ZINC000129257556 1128535067 /nfs/dbraw/zinc/53/50/67/1128535067.db2.gz XIZJJRNMUOPPLV-KRWDZBQOSA-N 2 1 277.456 3.872 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1CC(C)C ZINC000129257556 1128535070 /nfs/dbraw/zinc/53/50/70/1128535070.db2.gz XIZJJRNMUOPPLV-KRWDZBQOSA-N 2 1 277.456 3.872 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC=CCC2)C[C@@H]1c1ccccc1 ZINC000556064022 1128543813 /nfs/dbraw/zinc/54/38/13/1128543813.db2.gz UBNFYNBWHWDXHF-NZSAHSFTSA-N 2 1 284.447 3.768 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC=CCC2)C[C@@H]1c1ccccc1 ZINC000556064022 1128543816 /nfs/dbraw/zinc/54/38/16/1128543816.db2.gz UBNFYNBWHWDXHF-NZSAHSFTSA-N 2 1 284.447 3.768 20 0 CHADMP Cc1ccc2[nH]c(C[NH2+]C[C@@H]3CC[N@H+](C(C)C)C3)cc2c1C ZINC000567312118 1128562259 /nfs/dbraw/zinc/56/22/59/1128562259.db2.gz FMBXGZZKGWTBOQ-INIZCTEOSA-N 2 1 299.462 3.605 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2)C2CC2)[C@H]2CCC[C@H]21 ZINC000556208096 1128562787 /nfs/dbraw/zinc/56/27/87/1128562787.db2.gz DFBADMHMMSWZHM-YSTOQKLRSA-N 2 1 298.474 3.643 20 0 CHADMP CC1=CC[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000556232928 1128565842 /nfs/dbraw/zinc/56/58/42/1128565842.db2.gz JOXBPHHCTJIPPD-IBGZPJMESA-N 2 1 284.447 3.523 20 0 CHADMP CC1=CC[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000556232928 1128565845 /nfs/dbraw/zinc/56/58/45/1128565845.db2.gz JOXBPHHCTJIPPD-IBGZPJMESA-N 2 1 284.447 3.523 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]2F)cc1 ZINC000556262097 1128570633 /nfs/dbraw/zinc/57/06/33/1128570633.db2.gz WCQAATRQDXQJIS-OAUYIBNBSA-N 2 1 287.382 3.722 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000568137405 1128578796 /nfs/dbraw/zinc/57/87/96/1128578796.db2.gz AXTWFTLUTGVJQA-ARFHVFGLSA-N 2 1 278.484 3.808 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CCCCC1 ZINC000130342004 1128580130 /nfs/dbraw/zinc/58/01/30/1128580130.db2.gz PXHOCDZPBORMQC-GVDBMIGSSA-N 2 1 264.457 3.562 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)C1CCCCC1 ZINC000130342004 1128580132 /nfs/dbraw/zinc/58/01/32/1128580132.db2.gz PXHOCDZPBORMQC-GVDBMIGSSA-N 2 1 264.457 3.562 20 0 CHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000568997844 1128595995 /nfs/dbraw/zinc/59/59/95/1128595995.db2.gz ZPZAQKHOQSPIAW-AWEZNQCLSA-N 2 1 297.402 3.758 20 0 CHADMP CC(C)Oc1ccc([C@@H](C)[NH2+]CCC[NH+](C)C)cc1Cl ZINC000556593011 1128607963 /nfs/dbraw/zinc/60/79/63/1128607963.db2.gz VIVRCRJKLPGOHW-CYBMUJFWSA-N 2 1 298.858 3.730 20 0 CHADMP Cc1nccn1CC[N@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000499051673 1128635834 /nfs/dbraw/zinc/63/58/34/1128635834.db2.gz FGGZOLNXXGPYKP-RTBURBONSA-N 2 1 297.446 3.768 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000499051673 1128635836 /nfs/dbraw/zinc/63/58/36/1128635836.db2.gz FGGZOLNXXGPYKP-RTBURBONSA-N 2 1 297.446 3.768 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000499051673 1128635839 /nfs/dbraw/zinc/63/58/39/1128635839.db2.gz FGGZOLNXXGPYKP-RTBURBONSA-N 2 1 297.446 3.768 20 0 CHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)C1CCCCC1 ZINC000556870855 1128632895 /nfs/dbraw/zinc/63/28/95/1128632895.db2.gz QYMNGDDVCVQBPM-DDBAPUKQSA-N 2 1 278.484 3.665 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC2CCCC2)C3)cc1 ZINC000499164850 1128655904 /nfs/dbraw/zinc/65/59/04/1128655904.db2.gz ROTSORHARHDBJC-OWZKRDHZSA-N 2 1 298.474 3.962 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000577945711 1128700678 /nfs/dbraw/zinc/70/06/78/1128700678.db2.gz VIUOUIDQQSPSOW-BPQIPLTHSA-N 2 1 278.484 3.643 20 0 CHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CCCC3)cc2)C1 ZINC000921198331 1128702867 /nfs/dbraw/zinc/70/28/67/1128702867.db2.gz GKRDPYVMGBQPNM-INIZCTEOSA-N 2 1 286.463 3.951 20 0 CHADMP [NH3+][C@H]1CC[N@H+](CCCC2CCCCC2)C[C@H]1C(F)(F)F ZINC001236351156 1128727606 /nfs/dbraw/zinc/72/76/06/1128727606.db2.gz FGZNWGZPMOKPHP-KGLIPLIRSA-N 2 1 292.389 3.558 20 0 CHADMP [NH3+][C@H]1CC[N@@H+](CCCC2CCCCC2)C[C@H]1C(F)(F)F ZINC001236351156 1128727609 /nfs/dbraw/zinc/72/76/09/1128727609.db2.gz FGZNWGZPMOKPHP-KGLIPLIRSA-N 2 1 292.389 3.558 20 0 CHADMP [NH3+][C@@H]1CC[N@H+](CCCC2CCCCC2)C[C@H]1C(F)(F)F ZINC001236351168 1128728656 /nfs/dbraw/zinc/72/86/56/1128728656.db2.gz FGZNWGZPMOKPHP-ZIAGYGMSSA-N 2 1 292.389 3.558 20 0 CHADMP [NH3+][C@@H]1CC[N@@H+](CCCC2CCCCC2)C[C@H]1C(F)(F)F ZINC001236351168 1128728658 /nfs/dbraw/zinc/72/86/58/1128728658.db2.gz FGZNWGZPMOKPHP-ZIAGYGMSSA-N 2 1 292.389 3.558 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000034996119 1117789843 /nfs/dbraw/zinc/78/98/43/1117789843.db2.gz FXEUJFWGLXYICM-HNNXBMFYSA-N 2 1 274.452 3.945 20 0 CHADMP CC(C)C[C@@H](C)C[C@H](C)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001258072981 1128735872 /nfs/dbraw/zinc/73/58/72/1128735872.db2.gz ADXPHAZQCFOUQR-CABCVRRESA-N 2 1 277.456 3.983 20 0 CHADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623343155 1117835578 /nfs/dbraw/zinc/83/55/78/1117835578.db2.gz CGYUYQKRFFTBMS-SJORKVTESA-N 2 1 274.452 3.846 20 0 CHADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623343154 1117835648 /nfs/dbraw/zinc/83/56/48/1117835648.db2.gz CGYUYQKRFFTBMS-IRXDYDNUSA-N 2 1 274.452 3.846 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc(F)cc2)CC1(C)C ZINC000623399822 1117849634 /nfs/dbraw/zinc/84/96/34/1117849634.db2.gz AVDISETXZLGIFG-MRXNPFEDSA-N 2 1 292.442 3.566 20 0 CHADMP C[N@H+]1CC[C@@H](NC2(c3ccc(Cl)cc3)CC2)CC1(C)C ZINC000623415295 1117852207 /nfs/dbraw/zinc/85/22/07/1117852207.db2.gz GRDZYWMRFLKGQY-OAHLLOKOSA-N 2 1 292.854 3.792 20 0 CHADMP CN1CC[C@@H]([NH2+]C2(c3ccc(Cl)cc3)CC2)CC1(C)C ZINC000623415295 1117852213 /nfs/dbraw/zinc/85/22/13/1117852213.db2.gz GRDZYWMRFLKGQY-OAHLLOKOSA-N 2 1 292.854 3.792 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]C2(c3ccc(Cl)cc3)CC2)CC1(C)C ZINC000623415295 1117852220 /nfs/dbraw/zinc/85/22/20/1117852220.db2.gz GRDZYWMRFLKGQY-OAHLLOKOSA-N 2 1 292.854 3.792 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]C2(c3ccc(Cl)cc3)CC2)CC1(C)C ZINC000623415295 1117852228 /nfs/dbraw/zinc/85/22/28/1117852228.db2.gz GRDZYWMRFLKGQY-OAHLLOKOSA-N 2 1 292.854 3.792 20 0 CHADMP Cc1ccccc1[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C1CC1 ZINC000623416308 1117852924 /nfs/dbraw/zinc/85/29/24/1117852924.db2.gz QEOOFIATVDQMMT-AEFFLSMTSA-N 2 1 286.463 3.909 20 0 CHADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623439689 1117856897 /nfs/dbraw/zinc/85/68/97/1117856897.db2.gz TXQPDHKUPQECLQ-RBSFLKMASA-N 2 1 266.473 3.664 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1F ZINC000623444641 1117857239 /nfs/dbraw/zinc/85/72/39/1117857239.db2.gz NAFOPGNMBFMSSW-HIFRSBDPSA-N 2 1 278.415 3.658 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1F ZINC000623444641 1117857242 /nfs/dbraw/zinc/85/72/42/1117857242.db2.gz NAFOPGNMBFMSSW-HIFRSBDPSA-N 2 1 278.415 3.658 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1C[C@@H]1C ZINC000398170821 1117869078 /nfs/dbraw/zinc/86/90/78/1117869078.db2.gz UQFSIZFYQZZUJF-SGFSRKTBSA-N 2 1 286.463 3.531 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1C[C@@H]1C ZINC000398170821 1117869082 /nfs/dbraw/zinc/86/90/82/1117869082.db2.gz UQFSIZFYQZZUJF-SGFSRKTBSA-N 2 1 286.463 3.531 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2C(C)(C)C)CC1(C)C ZINC000623551411 1117871040 /nfs/dbraw/zinc/87/10/40/1117871040.db2.gz XNBLCVFGWVETBV-ZNMIVQPWSA-N 2 1 266.473 3.664 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H](C2CCC2)C2CCCC2)CC1(C)C ZINC000623557394 1117871325 /nfs/dbraw/zinc/87/13/25/1117871325.db2.gz VSIWFWHQVAHXAC-DLBZAZTESA-N 2 1 278.484 3.808 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CCC(F)(F)CC1 ZINC000623561208 1117873284 /nfs/dbraw/zinc/87/32/84/1117873284.db2.gz FLWGORZRVBREHC-JSGCOSHPSA-N 2 1 288.426 3.663 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccoc1 ZINC000178012861 1117883128 /nfs/dbraw/zinc/88/31/28/1117883128.db2.gz MZTQBXKDPFFAAA-OAHLLOKOSA-N 2 1 286.419 3.971 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C(C2CC2)C2CC2)c1 ZINC000177977243 1117883657 /nfs/dbraw/zinc/88/36/57/1117883657.db2.gz AYHWEAPMWZIDCK-UHFFFAOYSA-N 2 1 286.463 3.805 20 0 CHADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000178699275 1117896269 /nfs/dbraw/zinc/89/62/69/1117896269.db2.gz VKPXBRVYGVEBLZ-APWZRJJASA-N 2 1 299.462 3.747 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C2CCCCC2)CC[N@H+]1C ZINC000179548090 1117907609 /nfs/dbraw/zinc/90/76/09/1117907609.db2.gz TYIPIDAJCXYVMA-GDBMZVCRSA-N 2 1 266.473 3.665 20 0 CHADMP CC[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000579288064 1128743238 /nfs/dbraw/zinc/74/32/38/1128743238.db2.gz IDMDKTJQHXIGKQ-GDAAHCPNSA-N 2 1 286.463 3.675 20 0 CHADMP Cc1csc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)n1 ZINC000623864487 1117945959 /nfs/dbraw/zinc/94/59/59/1117945959.db2.gz PZMVOFZZEMYPLM-CABCVRRESA-N 2 1 295.496 3.757 20 0 CHADMP C[C@H](C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C)C(F)(F)F ZINC001208891721 1117951494 /nfs/dbraw/zinc/95/14/94/1117951494.db2.gz LATPWRYRVBLGHV-HZSPNIEDSA-N 2 1 292.389 3.524 20 0 CHADMP C[C@H](C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C)C(F)(F)F ZINC001208891721 1117951498 /nfs/dbraw/zinc/95/14/98/1117951498.db2.gz LATPWRYRVBLGHV-HZSPNIEDSA-N 2 1 292.389 3.524 20 0 CHADMP C[C@H](C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C)C(F)(F)F ZINC001208891721 1117951502 /nfs/dbraw/zinc/95/15/02/1117951502.db2.gz LATPWRYRVBLGHV-HZSPNIEDSA-N 2 1 292.389 3.524 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccs1 ZINC000624120262 1117985004 /nfs/dbraw/zinc/98/50/04/1117985004.db2.gz VACWZPVSPSLYFC-ZIAGYGMSSA-N 2 1 266.454 3.521 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccccc1Cl ZINC000624120376 1117985162 /nfs/dbraw/zinc/98/51/62/1117985162.db2.gz XPSCMRZYHSJDAZ-UONOGXRCSA-N 2 1 280.843 3.723 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccc1Cl ZINC000624120376 1117985164 /nfs/dbraw/zinc/98/51/64/1117985164.db2.gz XPSCMRZYHSJDAZ-UONOGXRCSA-N 2 1 280.843 3.723 20 0 CHADMP Cc1ccc(C2CC([NH2+]C[C@@H]3CCCC[N@H+](C)C3)C2)cc1 ZINC000624122003 1117985288 /nfs/dbraw/zinc/98/52/88/1117985288.db2.gz HPWVTQFERJNYBS-IVMQYODDSA-N 2 1 286.463 3.563 20 0 CHADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121182 1117985368 /nfs/dbraw/zinc/98/53/68/1117985368.db2.gz PPARYTJDHMEOBO-YESZJQIVSA-N 2 1 274.452 3.500 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(F)c(Cl)c1 ZINC000624120714 1117985464 /nfs/dbraw/zinc/98/54/64/1117985464.db2.gz FPMDBIBTOOTLDO-STQMWFEESA-N 2 1 298.833 3.862 20 0 CHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCCc3cc(F)ccc32)C1 ZINC000624122277 1117985674 /nfs/dbraw/zinc/98/56/74/1117985674.db2.gz NPWGTFIRPJKSTN-KDOFPFPSSA-N 2 1 290.426 3.525 20 0 CHADMP CC[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624124832 1117986821 /nfs/dbraw/zinc/98/68/21/1117986821.db2.gz LYBOPJUAEIFHEC-RBUKOAKNSA-N 2 1 288.479 3.719 20 0 CHADMP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624123502 1117987143 /nfs/dbraw/zinc/98/71/43/1117987143.db2.gz NFQJPMOUDYVKSA-XHSDSOJGSA-N 2 1 254.462 3.523 20 0 CHADMP CCCC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624123500 1117987535 /nfs/dbraw/zinc/98/75/35/1117987535.db2.gz NFQJPMOUDYVKSA-HRCADAONSA-N 2 1 254.462 3.523 20 0 CHADMP Cc1c(C)c(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)ccc1Cl ZINC001206809395 1117995911 /nfs/dbraw/zinc/99/59/11/1117995911.db2.gz LPHOAUASKLQHQJ-FZMZJTMJSA-N 2 1 280.843 3.516 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@@H]3C=CCCC3)CC23CC3)cc1 ZINC000579472659 1128748755 /nfs/dbraw/zinc/74/87/55/1128748755.db2.gz HYOPWQDAEBMBNH-RTBURBONSA-N 2 1 296.458 3.882 20 0 CHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+][C@@H]3C=CCCC3)CC23CC3)cc1 ZINC000579472659 1128748757 /nfs/dbraw/zinc/74/87/57/1128748757.db2.gz HYOPWQDAEBMBNH-RTBURBONSA-N 2 1 296.458 3.882 20 0 CHADMP C/C=C\C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000624198286 1118003494 /nfs/dbraw/zinc/00/34/94/1118003494.db2.gz KGNUWINGAXVPBL-ARJAWSKDSA-N 2 1 272.436 3.595 20 0 CHADMP CCC[NH+]1CCC([NH2+]C2(c3cccc(Cl)c3)CC2)CC1 ZINC000182260838 1118018115 /nfs/dbraw/zinc/01/81/15/1118018115.db2.gz DLJFGBOTJHRTQE-UHFFFAOYSA-N 2 1 292.854 3.793 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000366219543 1118052449 /nfs/dbraw/zinc/05/24/49/1118052449.db2.gz ASEBSVDIPJDWPT-FUHWJXTLSA-N 2 1 298.430 3.842 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000366219543 1118052455 /nfs/dbraw/zinc/05/24/55/1118052455.db2.gz ASEBSVDIPJDWPT-FUHWJXTLSA-N 2 1 298.430 3.842 20 0 CHADMP C[C@H]([NH2+]CCC1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185725430 1118063276 /nfs/dbraw/zinc/06/32/76/1118063276.db2.gz UISUSVYPZZDNMI-RDJZCZTQSA-N 2 1 278.484 3.809 20 0 CHADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417302580 1118067368 /nfs/dbraw/zinc/06/73/68/1118067368.db2.gz CLXBWQJITQSVKE-APIJFGDWSA-N 2 1 280.481 3.560 20 0 CHADMP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001258086908 1128754621 /nfs/dbraw/zinc/75/46/21/1128754621.db2.gz WZDVHRZLQMLETB-YESZJQIVSA-N 2 1 266.473 3.830 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)[C@H]1C ZINC000398221367 1118101065 /nfs/dbraw/zinc/10/10/65/1118101065.db2.gz SQDZZEFWWXADGV-RFXPCRSYSA-N 2 1 286.463 3.531 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[C@H]1C ZINC000398221367 1118101067 /nfs/dbraw/zinc/10/10/67/1118101067.db2.gz SQDZZEFWWXADGV-RFXPCRSYSA-N 2 1 286.463 3.531 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(C3CC3)c2)C1 ZINC000340188099 1118106765 /nfs/dbraw/zinc/10/67/65/1118106765.db2.gz DWYGJEZGKGYETG-CABCVRRESA-N 2 1 272.436 3.556 20 0 CHADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1sc2ccccc2c1Cl ZINC000124498239 1118154855 /nfs/dbraw/zinc/15/48/55/1118154855.db2.gz KUOYNNXKXXUMAJ-GHMZBOCLSA-N 2 1 294.851 3.866 20 0 CHADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1sc2ccccc2c1Cl ZINC000124498239 1118154858 /nfs/dbraw/zinc/15/48/58/1118154858.db2.gz KUOYNNXKXXUMAJ-GHMZBOCLSA-N 2 1 294.851 3.866 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCc2cc(C)cc(C)c21 ZINC000655709396 1118190314 /nfs/dbraw/zinc/19/03/14/1118190314.db2.gz ZBGFTKQBSJQVSE-KDOFPFPSSA-N 2 1 297.446 3.722 20 0 CHADMP CC(C)=CCC[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001258095346 1128762543 /nfs/dbraw/zinc/76/25/43/1128762543.db2.gz BINGLLKXGTZYEI-MRXNPFEDSA-N 2 1 264.457 3.539 20 0 CHADMP C[C@@H]1CCC[N@@H+](Cc2cccc3ncccc23)[C@@H]1CCC[NH3+] ZINC000634688236 1118207989 /nfs/dbraw/zinc/20/79/89/1118207989.db2.gz MGHIJAATXUDWPG-DNVCBOLYSA-N 2 1 297.446 3.574 20 0 CHADMP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000121449402 1118230654 /nfs/dbraw/zinc/23/06/54/1118230654.db2.gz CLCDIPRKOXFOEV-LPHOPBHVSA-N 2 1 299.462 3.829 20 0 CHADMP C[N@H+]1CCC[C@@H]([NH2+][C@H](c2ccccc2)C(C)(C)C)CC1 ZINC000086817905 1118397007 /nfs/dbraw/zinc/39/70/07/1118397007.db2.gz QRKIJYKOSXVBMW-IAGOWNOFSA-N 2 1 274.452 3.848 20 0 CHADMP CC1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000580193692 1118399025 /nfs/dbraw/zinc/39/90/25/1118399025.db2.gz PEONXLQERSQCSW-NXYGQSRBSA-N 2 1 284.447 3.572 20 0 CHADMP CC1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000580193692 1118399029 /nfs/dbraw/zinc/39/90/29/1118399029.db2.gz PEONXLQERSQCSW-NXYGQSRBSA-N 2 1 284.447 3.572 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3sccc3c2)[C@@H](C)C1 ZINC000580262064 1118410989 /nfs/dbraw/zinc/41/09/89/1118410989.db2.gz HZYFDXDWIPDHJA-XJKSGUPXSA-N 2 1 288.460 3.721 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)c(F)c1 ZINC000580289065 1118413693 /nfs/dbraw/zinc/41/36/93/1118413693.db2.gz UZPVQBPVQCPMFJ-QWHCGFSZSA-N 2 1 298.833 3.862 20 0 CHADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000124936362 1118426013 /nfs/dbraw/zinc/42/60/13/1118426013.db2.gz CWHGTUNTAKRGEZ-KRWDZBQOSA-N 2 1 296.458 3.656 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683925303 1118444891 /nfs/dbraw/zinc/44/48/91/1118444891.db2.gz AOMHFNIJZKXUML-OAHLLOKOSA-N 2 1 285.435 3.522 20 0 CHADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC001649270638 1118475273 /nfs/dbraw/zinc/47/52/73/1118475273.db2.gz WIJYMVRCPFWBQI-BRWVUGGUSA-N 2 1 266.473 3.809 20 0 CHADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC001649270638 1118475274 /nfs/dbraw/zinc/47/52/74/1118475274.db2.gz WIJYMVRCPFWBQI-BRWVUGGUSA-N 2 1 266.473 3.809 20 0 CHADMP CCCC[N@@H+](CCc1cncn1C)[C@@H](C)c1ccc(C)o1 ZINC000656424596 1118548357 /nfs/dbraw/zinc/54/83/57/1118548357.db2.gz HUBCNMJPXIECTR-HNNXBMFYSA-N 2 1 289.423 3.727 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc2nc(C)ccc2c1 ZINC000349379583 1118556700 /nfs/dbraw/zinc/55/67/00/1118556700.db2.gz BWZRFPVVBYDZCQ-UHFFFAOYSA-N 2 1 299.462 3.707 20 0 CHADMP C[C@H]1CCC[C@@](C[NH2+]CC2CCCCC2)([NH+](C)C)C1 ZINC000109924061 1118589571 /nfs/dbraw/zinc/58/95/71/1118589571.db2.gz XDQMVKZYCKIWGE-DOTOQJQBSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@@H]1CCC[C@@](C[NH2+]CC2CCCCC2)([NH+](C)C)C1 ZINC000109924059 1118589724 /nfs/dbraw/zinc/58/97/24/1118589724.db2.gz XDQMVKZYCKIWGE-NVXWUHKLSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+]C[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC000109924023 1118589760 /nfs/dbraw/zinc/58/97/60/1118589760.db2.gz REMWPODEZYUBMY-QZWWFDLISA-N 2 1 266.473 3.665 20 0 CHADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc(Cl)c1 ZINC000341106598 1118602923 /nfs/dbraw/zinc/60/29/23/1118602923.db2.gz QUUPOAOXWFRTAI-HOTGVXAUSA-N 2 1 280.843 3.865 20 0 CHADMP C[NH+]1CC2(C1)CC[NH+](Cc1cc(Cl)ccc1Cl)CC2 ZINC001204569082 1118670062 /nfs/dbraw/zinc/67/00/62/1118670062.db2.gz YFRULWMHTXADQZ-UHFFFAOYSA-N 2 1 299.245 3.521 20 0 CHADMP C(C[NH2+]C1CC[NH+](C2CC2)CC1)CC1CCCCC1 ZINC000395184037 1118691696 /nfs/dbraw/zinc/69/16/96/1118691696.db2.gz SXEAFMNESOAENC-UHFFFAOYSA-N 2 1 264.457 3.563 20 0 CHADMP C/C(=C/c1ccccc1)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000684425718 1118701415 /nfs/dbraw/zinc/70/14/15/1118701415.db2.gz LCAPYMSQMPBPKS-VBKFSLOCSA-N 2 1 284.447 3.696 20 0 CHADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723691313 1118706991 /nfs/dbraw/zinc/70/69/91/1118706991.db2.gz MAGBJFWOEOBRSY-QWRGUYRKSA-N 2 1 287.234 3.725 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000510467746 1118707209 /nfs/dbraw/zinc/70/72/09/1118707209.db2.gz RCNPELYODMNDKQ-MJGOQNOKSA-N 2 1 286.463 3.596 20 0 CHADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723700160 1118708348 /nfs/dbraw/zinc/70/83/48/1118708348.db2.gz YUSJDBKWXZBYJR-LSDHHAIUSA-N 2 1 268.404 3.572 20 0 CHADMP C[N@@H+](CCC[NH2+][C@H]1CC[C@H]1C1CCC1)Cc1ccccc1 ZINC000510665818 1118784670 /nfs/dbraw/zinc/78/46/70/1118784670.db2.gz CXIZCBQQXXQXMV-OALUTQOASA-N 2 1 286.463 3.677 20 0 CHADMP Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@H]3C3CCC3)CC2)[nH+]c1 ZINC000510712706 1118793122 /nfs/dbraw/zinc/79/31/22/1118793122.db2.gz IHROLYLAFJWIJL-ZWKOTPCHSA-N 2 1 299.462 3.527 20 0 CHADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000510722976 1118798014 /nfs/dbraw/zinc/79/80/14/1118798014.db2.gz QRGPXVCWZRUJAX-UONOGXRCSA-N 2 1 298.421 3.606 20 0 CHADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000510722976 1118798015 /nfs/dbraw/zinc/79/80/15/1118798015.db2.gz QRGPXVCWZRUJAX-UONOGXRCSA-N 2 1 298.421 3.606 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC=CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000090036338 1118802259 /nfs/dbraw/zinc/80/22/59/1118802259.db2.gz QOOMRCOPEKZLIR-NZSAHSFTSA-N 2 1 284.447 3.738 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC=CCC2)CC[N@H+]1Cc1ccccc1 ZINC000090036338 1118802263 /nfs/dbraw/zinc/80/22/63/1118802263.db2.gz QOOMRCOPEKZLIR-NZSAHSFTSA-N 2 1 284.447 3.738 20 0 CHADMP FCCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000510748971 1118807502 /nfs/dbraw/zinc/80/75/02/1118807502.db2.gz DNWMJNNZWCTJAC-OKZBNKHCSA-N 2 1 296.474 3.759 20 0 CHADMP FCCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000510748971 1118807504 /nfs/dbraw/zinc/80/75/04/1118807504.db2.gz DNWMJNNZWCTJAC-OKZBNKHCSA-N 2 1 296.474 3.759 20 0 CHADMP CCCc1ccc(C[N@@H+](CCC)CCC[NH+](C)C)s1 ZINC001138526832 1128803582 /nfs/dbraw/zinc/80/35/82/1128803582.db2.gz ALXPEEYEJOFBAC-UHFFFAOYSA-N 2 1 282.497 3.864 20 0 CHADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000092588066 1118856430 /nfs/dbraw/zinc/85/64/30/1118856430.db2.gz LIPSRTIJZZDRDZ-JKSUJKDBSA-N 2 1 292.492 3.835 20 0 CHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000092588066 1118856435 /nfs/dbraw/zinc/85/64/35/1118856435.db2.gz LIPSRTIJZZDRDZ-JKSUJKDBSA-N 2 1 292.492 3.835 20 0 CHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000092588066 1118856437 /nfs/dbraw/zinc/85/64/37/1118856437.db2.gz LIPSRTIJZZDRDZ-JKSUJKDBSA-N 2 1 292.492 3.835 20 0 CHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000092588066 1118856443 /nfs/dbraw/zinc/85/64/43/1118856443.db2.gz LIPSRTIJZZDRDZ-JKSUJKDBSA-N 2 1 292.492 3.835 20 0 CHADMP CC(C)CCCCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000129535846 1118860091 /nfs/dbraw/zinc/86/00/91/1118860091.db2.gz DZBMACPRJMGIQG-HOTGVXAUSA-N 2 1 254.462 3.665 20 0 CHADMP CC[N@H+](CCCCn1cc[nH+]c1C)Cc1ccc(C)cc1 ZINC000535765539 1118881243 /nfs/dbraw/zinc/88/12/43/1118881243.db2.gz PVMQTSBNHUIOCF-UHFFFAOYSA-N 2 1 285.435 3.802 20 0 CHADMP CC[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccc(C)cc1 ZINC000535765539 1118881248 /nfs/dbraw/zinc/88/12/48/1118881248.db2.gz PVMQTSBNHUIOCF-UHFFFAOYSA-N 2 1 285.435 3.802 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000535765335 1118882338 /nfs/dbraw/zinc/88/23/38/1118882338.db2.gz KYCVIAVIXJGZQC-CGTJXYLNSA-N 2 1 289.467 3.872 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000535765335 1118882346 /nfs/dbraw/zinc/88/23/46/1118882346.db2.gz KYCVIAVIXJGZQC-CGTJXYLNSA-N 2 1 289.467 3.872 20 0 CHADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCCC(C)(C)C3)CC[C@H]21 ZINC000535808490 1118891370 /nfs/dbraw/zinc/89/13/70/1118891370.db2.gz IJBDOWDOBHAMGN-BRWVUGGUSA-N 2 1 278.484 3.619 20 0 CHADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CCCC(C)(C)C3)CC[C@H]21 ZINC000535808490 1118891377 /nfs/dbraw/zinc/89/13/77/1118891377.db2.gz IJBDOWDOBHAMGN-BRWVUGGUSA-N 2 1 278.484 3.619 20 0 CHADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCC(C)(C)C3)CC[C@H]21 ZINC000535808490 1118891385 /nfs/dbraw/zinc/89/13/85/1118891385.db2.gz IJBDOWDOBHAMGN-BRWVUGGUSA-N 2 1 278.484 3.619 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000401383559 1118902528 /nfs/dbraw/zinc/90/25/28/1118902528.db2.gz IDUPPFQJBMRZAH-GVDBMIGSSA-N 2 1 266.473 3.523 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CC[C@@H]3C3CCC3)C2)cc1 ZINC000511011989 1118945113 /nfs/dbraw/zinc/94/51/13/1118945113.db2.gz IXNOXGNPGGZINW-MISYRCLQSA-N 2 1 298.474 3.677 20 0 CHADMP Cc1cccc(C)c1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345886 1118957472 /nfs/dbraw/zinc/95/74/72/1118957472.db2.gz NTLJWUSWUULTAX-GOSISDBHSA-N 2 1 286.463 3.515 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000647248588 1119054003 /nfs/dbraw/zinc/05/40/03/1119054003.db2.gz KKVBBYHDRSQSCH-YSHGAJCASA-N 2 1 286.463 3.500 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2C[C@@H](C)c3ccccc32)C1 ZINC000582383127 1119063847 /nfs/dbraw/zinc/06/38/47/1119063847.db2.gz MHZPQVAWNXHILB-MDZRGWNJSA-N 2 1 286.463 3.945 20 0 CHADMP Cc1nccn1CC[N@H+]1CCC[C@@H]1c1cccc(C)c1C ZINC000342602707 1119099058 /nfs/dbraw/zinc/09/90/58/1119099058.db2.gz AYTZHYYINIOBOE-GOSISDBHSA-N 2 1 283.419 3.645 20 0 CHADMP CCC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000159267555 1119111489 /nfs/dbraw/zinc/11/14/89/1119111489.db2.gz NKQBGJUUIJTTGL-GOSISDBHSA-N 2 1 290.451 3.610 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1Cc1ccccc1C ZINC000342866360 1119218934 /nfs/dbraw/zinc/21/89/34/1119218934.db2.gz ZZZWDRRYHWPRKK-IBGZPJMESA-N 2 1 297.446 3.597 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1Cc1ccccc1C ZINC000342866360 1119218937 /nfs/dbraw/zinc/21/89/37/1119218937.db2.gz ZZZWDRRYHWPRKK-IBGZPJMESA-N 2 1 297.446 3.597 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)c2cccc(Cl)c2)CC[N@H+]1C ZINC000121781565 1119269451 /nfs/dbraw/zinc/26/94/51/1119269451.db2.gz GEEXMXSWEABJJE-CZUORRHYSA-N 2 1 294.870 3.690 20 0 CHADMP c1c2ccccc2sc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000675154145 1119283120 /nfs/dbraw/zinc/28/31/20/1119283120.db2.gz BCXOTTCZYJDCAE-CABCVRRESA-N 2 1 286.444 3.618 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000628201310 1119286679 /nfs/dbraw/zinc/28/66/79/1119286679.db2.gz AUXGOIMQIQSPGM-JKSUJKDBSA-N 2 1 285.435 3.529 20 0 CHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000583288789 1119335291 /nfs/dbraw/zinc/33/52/91/1119335291.db2.gz RMNRTEYGYZILJO-HOTGVXAUSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@@H](C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)C1CCCCC1 ZINC000569628306 1119346958 /nfs/dbraw/zinc/34/69/58/1119346958.db2.gz ALWNAOSLOBRJAD-DOTOQJQBSA-N 2 1 266.473 3.619 20 0 CHADMP CCCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CCC1 ZINC000628280883 1128842040 /nfs/dbraw/zinc/84/20/40/1128842040.db2.gz NJUGXZDCQBAUAS-CVEARBPZSA-N 2 1 266.473 3.808 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc3c(s2)CCC3)C1 ZINC000151118772 1119399941 /nfs/dbraw/zinc/39/99/41/1119399941.db2.gz VDORHSGIXQWWJH-UONOGXRCSA-N 2 1 292.492 3.619 20 0 CHADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1cccc(C2CC2)c1 ZINC000566686455 1119410085 /nfs/dbraw/zinc/41/00/85/1119410085.db2.gz BOWNTTFKHJKKIT-CQSZACIVSA-N 2 1 283.419 3.581 20 0 CHADMP CCC(CC)[C@@H](C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000250394572 1119425023 /nfs/dbraw/zinc/42/50/23/1119425023.db2.gz JFYCKTJOMHSZFU-YQFWSFKMSA-N 2 1 268.489 3.767 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000343503541 1119435657 /nfs/dbraw/zinc/43/56/57/1119435657.db2.gz FREQAUCBXQCQAX-GLJUWKHASA-N 2 1 283.419 3.666 20 0 CHADMP CC(C)c1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000252916160 1119449832 /nfs/dbraw/zinc/44/98/32/1119449832.db2.gz BBPAMZYKLQRATP-SJORKVTESA-N 2 1 260.425 3.512 20 0 CHADMP CC(C)c1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000252916160 1119449834 /nfs/dbraw/zinc/44/98/34/1119449834.db2.gz BBPAMZYKLQRATP-SJORKVTESA-N 2 1 260.425 3.512 20 0 CHADMP CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000926544095 1119451572 /nfs/dbraw/zinc/45/15/72/1119451572.db2.gz ZZLUQSSFXSSVNJ-XNRPARBSSA-N 2 1 276.468 3.726 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCCC34CC4)CC2)cc1 ZINC000657818701 1119457535 /nfs/dbraw/zinc/45/75/35/1119457535.db2.gz XAJCRVPDTUCMAW-SFHVURJKSA-N 2 1 284.447 3.573 20 0 CHADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@@H]2C2CCCCC2)cc1 ZINC000708472738 1119482173 /nfs/dbraw/zinc/48/21/73/1119482173.db2.gz GBAMINHRXIIPMG-GOSISDBHSA-N 2 1 272.436 3.690 20 0 CHADMP CCC(CC)[C@@H](C[NH2+][C@H](C)C(C)(C)C(F)F)[NH+](C)C ZINC000657832230 1119482782 /nfs/dbraw/zinc/48/27/82/1119482782.db2.gz JVLBHGRUKQYJPC-DGCLKSJQSA-N 2 1 278.431 3.622 20 0 CHADMP Cc1ccc([C@H](C)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000628182038 1119492677 /nfs/dbraw/zinc/49/26/77/1119492677.db2.gz AMJQGOUHZLBPTA-MSOLQXFVSA-N 2 1 286.463 3.516 20 0 CHADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000657840308 1119503311 /nfs/dbraw/zinc/50/33/11/1119503311.db2.gz DQURTGFPWWZZJN-DOTOQJQBSA-N 2 1 294.870 3.593 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)C(F)(F)c1ccccc1 ZINC000926561638 1119522370 /nfs/dbraw/zinc/52/23/70/1119522370.db2.gz ZVMUTKHWVQBQJQ-AWEZNQCLSA-N 2 1 296.405 3.631 20 0 CHADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)C(F)(F)c1ccccc1 ZINC000926561638 1119522375 /nfs/dbraw/zinc/52/23/75/1119522375.db2.gz ZVMUTKHWVQBQJQ-AWEZNQCLSA-N 2 1 296.405 3.631 20 0 CHADMP C(C[NH2+]C1CCCCC1)C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000250878388 1119524156 /nfs/dbraw/zinc/52/41/56/1119524156.db2.gz USRSRIPRYBGSFZ-SJORKVTESA-N 2 1 278.484 3.811 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CC2(C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000090773032 1119549495 /nfs/dbraw/zinc/54/94/95/1119549495.db2.gz ZMKKFNIUXQVYDZ-QFBILLFUSA-N 2 1 298.474 3.819 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CC2(C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000090773032 1119549496 /nfs/dbraw/zinc/54/94/96/1119549496.db2.gz ZMKKFNIUXQVYDZ-QFBILLFUSA-N 2 1 298.474 3.819 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000092165593 1119559189 /nfs/dbraw/zinc/55/91/89/1119559189.db2.gz RCNPELYODMNDKQ-PKOBYXMFSA-N 2 1 286.463 3.596 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000657872306 1119583985 /nfs/dbraw/zinc/58/39/85/1119583985.db2.gz MUEXPLDWPBIPHE-NCOADZHNSA-N 2 1 278.484 3.521 20 0 CHADMP Cc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1Cl ZINC000685470850 1119612112 /nfs/dbraw/zinc/61/21/12/1119612112.db2.gz VZZRFNUCDBSBAW-RDJZCZTQSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1Cl ZINC000685470850 1119612113 /nfs/dbraw/zinc/61/21/13/1119612113.db2.gz VZZRFNUCDBSBAW-RDJZCZTQSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1Cl ZINC000685470850 1119612115 /nfs/dbraw/zinc/61/21/15/1119612115.db2.gz VZZRFNUCDBSBAW-RDJZCZTQSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1Cl ZINC000685470850 1119612117 /nfs/dbraw/zinc/61/21/17/1119612117.db2.gz VZZRFNUCDBSBAW-RDJZCZTQSA-N 2 1 292.854 3.565 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc2cnccc2c1 ZINC000685459657 1119612457 /nfs/dbraw/zinc/61/24/57/1119612457.db2.gz LUWWVVHVYHIJSW-UHFFFAOYSA-N 2 1 299.462 3.789 20 0 CHADMP C/C(=C/c1ccccc1)C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000685470812 1119612545 /nfs/dbraw/zinc/61/25/45/1119612545.db2.gz SRZNORCJZLTQSJ-WREUSQSKSA-N 2 1 284.447 3.506 20 0 CHADMP C/C(=C/c1ccccc1)C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000685470812 1119612547 /nfs/dbraw/zinc/61/25/47/1119612547.db2.gz SRZNORCJZLTQSJ-WREUSQSKSA-N 2 1 284.447 3.506 20 0 CHADMP C/C(=C/c1ccccc1)C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000685470812 1119612550 /nfs/dbraw/zinc/61/25/50/1119612550.db2.gz SRZNORCJZLTQSJ-WREUSQSKSA-N 2 1 284.447 3.506 20 0 CHADMP Cc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1Cl ZINC000685470851 1119612571 /nfs/dbraw/zinc/61/25/71/1119612571.db2.gz VZZRFNUCDBSBAW-WBVHZDCISA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1Cl ZINC000685470851 1119612574 /nfs/dbraw/zinc/61/25/74/1119612574.db2.gz VZZRFNUCDBSBAW-WBVHZDCISA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1Cl ZINC000685470851 1119612575 /nfs/dbraw/zinc/61/25/75/1119612575.db2.gz VZZRFNUCDBSBAW-WBVHZDCISA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1Cl ZINC000685470851 1119612578 /nfs/dbraw/zinc/61/25/78/1119612578.db2.gz VZZRFNUCDBSBAW-WBVHZDCISA-N 2 1 292.854 3.565 20 0 CHADMP C/C(=C/c1ccccc1)C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000685470811 1119612648 /nfs/dbraw/zinc/61/26/48/1119612648.db2.gz SRZNORCJZLTQSJ-BLTVVPKDSA-N 2 1 284.447 3.506 20 0 CHADMP C/C(=C/c1ccccc1)C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000685470811 1119612649 /nfs/dbraw/zinc/61/26/49/1119612649.db2.gz SRZNORCJZLTQSJ-BLTVVPKDSA-N 2 1 284.447 3.506 20 0 CHADMP C/C(=C/c1ccccc1)C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000685470811 1119612652 /nfs/dbraw/zinc/61/26/52/1119612652.db2.gz SRZNORCJZLTQSJ-BLTVVPKDSA-N 2 1 284.447 3.506 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCCSCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000657969782 1119655437 /nfs/dbraw/zinc/65/54/37/1119655437.db2.gz UQICCUYOYRVNKG-HRCADAONSA-N 2 1 296.524 3.515 20 0 CHADMP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1ccc(C(F)F)nc1 ZINC000658044135 1119671239 /nfs/dbraw/zinc/67/12/39/1119671239.db2.gz WHGGDGGKZSKURG-CYBMUJFWSA-N 2 1 299.409 3.648 20 0 CHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(C(F)F)nc1 ZINC000658044135 1119671242 /nfs/dbraw/zinc/67/12/42/1119671242.db2.gz WHGGDGGKZSKURG-CYBMUJFWSA-N 2 1 299.409 3.648 20 0 CHADMP Cc1cc([C@H](C)[NH2+]CCC[NH+]2CCCCC2)cs1 ZINC000381475052 1119697928 /nfs/dbraw/zinc/69/79/28/1119697928.db2.gz MELZNGZYSXZQBB-AWEZNQCLSA-N 2 1 266.454 3.583 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccsc2)C[C@@H]1c1ccccc1 ZINC000340180627 1119745487 /nfs/dbraw/zinc/74/54/87/1119745487.db2.gz JIRQWQDAUBSHLS-DLBZAZTESA-N 2 1 286.444 3.673 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccsc2)C[C@@H]1c1ccccc1 ZINC000340180627 1119745490 /nfs/dbraw/zinc/74/54/90/1119745490.db2.gz JIRQWQDAUBSHLS-DLBZAZTESA-N 2 1 286.444 3.673 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000628272945 1119781179 /nfs/dbraw/zinc/78/11/79/1119781179.db2.gz CTRDCPJREGYRCV-VQVIJEGRSA-N 2 1 278.484 3.760 20 0 CHADMP CC[C@@H]1CCCC[C@@H]1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000628272945 1119781183 /nfs/dbraw/zinc/78/11/83/1119781183.db2.gz CTRDCPJREGYRCV-VQVIJEGRSA-N 2 1 278.484 3.760 20 0 CHADMP Cc1nccn1CCC[N@H+](C)C[C@H](C)c1ccc(C)cc1 ZINC000628280050 1119788799 /nfs/dbraw/zinc/78/87/99/1119788799.db2.gz NBMONYSKKWAWMA-INIZCTEOSA-N 2 1 285.435 3.626 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](C)c1ccc(C)cc1 ZINC000628280050 1119788801 /nfs/dbraw/zinc/78/88/01/1119788801.db2.gz NBMONYSKKWAWMA-INIZCTEOSA-N 2 1 285.435 3.626 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](C)c1ccc(C)cc1 ZINC000628280050 1119788802 /nfs/dbraw/zinc/78/88/02/1119788802.db2.gz NBMONYSKKWAWMA-INIZCTEOSA-N 2 1 285.435 3.626 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)cc(C)cc2C)C[C@@H]1C ZINC000531139904 1119793246 /nfs/dbraw/zinc/79/32/46/1119793246.db2.gz BQXAETJUODIXPL-ZWKOTPCHSA-N 2 1 288.479 3.916 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)cc(C)cc2C)C[C@@H]1C ZINC000531139904 1119793251 /nfs/dbraw/zinc/79/32/51/1119793251.db2.gz BQXAETJUODIXPL-ZWKOTPCHSA-N 2 1 288.479 3.916 20 0 CHADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CC[C@H]1CCCC[NH+]1C ZINC000472445068 1119805469 /nfs/dbraw/zinc/80/54/69/1119805469.db2.gz CYRILCAITBMOLK-QRQLOZEOSA-N 2 1 286.463 3.739 20 0 CHADMP C[C@@H]1[C@@H](c2ccccc2)CC[NH+]1CC[C@H]1CCCC[N@@H+]1C ZINC000472445068 1119805471 /nfs/dbraw/zinc/80/54/71/1119805471.db2.gz CYRILCAITBMOLK-QRQLOZEOSA-N 2 1 286.463 3.739 20 0 CHADMP C[C@@H]1[C@@H](c2ccccc2)CC[NH+]1CC[C@H]1CCCC[N@H+]1C ZINC000472445068 1119805473 /nfs/dbraw/zinc/80/54/73/1119805473.db2.gz CYRILCAITBMOLK-QRQLOZEOSA-N 2 1 286.463 3.739 20 0 CHADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000647498938 1119851494 /nfs/dbraw/zinc/85/14/94/1119851494.db2.gz UINCCRUZXXXDIM-CZUORRHYSA-N 2 1 286.419 3.554 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1C[C@H]1C ZINC000414073546 1119883378 /nfs/dbraw/zinc/88/33/78/1119883378.db2.gz MFMBFXHSFRNZFS-AIANPOQGSA-N 2 1 292.492 3.594 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1C[C@H]1C ZINC000414073546 1119883383 /nfs/dbraw/zinc/88/33/83/1119883383.db2.gz MFMBFXHSFRNZFS-AIANPOQGSA-N 2 1 292.492 3.594 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)[C@H]2C[C@@H]2C)cc1 ZINC000414108252 1119901368 /nfs/dbraw/zinc/90/13/68/1119901368.db2.gz JYCGUMQNDVDXNK-FLTUCWPJSA-N 2 1 283.419 3.876 20 0 CHADMP CC(C)CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000414181147 1119928600 /nfs/dbraw/zinc/92/86/00/1119928600.db2.gz MAHHAGZRHVJFFZ-RDJZCZTQSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1csc(Cl)c1 ZINC000414183236 1119929856 /nfs/dbraw/zinc/92/98/56/1119929856.db2.gz NCQFHFPEOSRGPR-VXGBXAGGSA-N 2 1 286.872 3.784 20 0 CHADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1F ZINC000414198279 1119935002 /nfs/dbraw/zinc/93/50/02/1119935002.db2.gz WXRUQWUFKBYQBY-CXAGYDPISA-N 2 1 296.405 3.737 20 0 CHADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414198947 1119935353 /nfs/dbraw/zinc/93/53/53/1119935353.db2.gz XADYARSRZFMWRS-YESZJQIVSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(C2CC2)c1 ZINC000414198139 1119935870 /nfs/dbraw/zinc/93/58/70/1119935870.db2.gz WCSNAERYAPFAHL-HZPDHXFCSA-N 2 1 286.463 3.947 20 0 CHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc12 ZINC000414208740 1119939342 /nfs/dbraw/zinc/93/93/42/1119939342.db2.gz JDZOKMYTUGBUQE-MSOLQXFVSA-N 2 1 294.442 3.865 20 0 CHADMP CC1(C)CCC(C)(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000414258894 1119959255 /nfs/dbraw/zinc/95/92/55/1119959255.db2.gz XSOOMNZBXICQQB-CVEARBPZSA-N 2 1 278.484 3.809 20 0 CHADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCCC[C@H]3F)CC2)C1 ZINC000414284169 1119965259 /nfs/dbraw/zinc/96/52/59/1119965259.db2.gz KFOJGPAINFVRAG-DZOHQFGASA-N 2 1 296.474 3.900 20 0 CHADMP Clc1sccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543903 1120004476 /nfs/dbraw/zinc/00/44/76/1120004476.db2.gz UGKAQBPUNSYOGZ-QWHCGFSZSA-N 2 1 298.883 3.613 20 0 CHADMP CC[NH+](CC)CCC[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000472602318 1120007521 /nfs/dbraw/zinc/00/75/21/1120007521.db2.gz IRCAYEROQQHAQD-INIZCTEOSA-N 2 1 278.440 3.929 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000472602318 1120007523 /nfs/dbraw/zinc/00/75/23/1120007523.db2.gz IRCAYEROQQHAQD-INIZCTEOSA-N 2 1 278.440 3.929 20 0 CHADMP CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000187711262 1120032449 /nfs/dbraw/zinc/03/24/49/1120032449.db2.gz SNJYAUDQMBSQGL-HIFRSBDPSA-N 2 1 266.454 3.521 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)[C@H]1CC2CCC1CC2 ZINC000381724926 1128885732 /nfs/dbraw/zinc/88/57/32/1128885732.db2.gz RZJDBNVAONZFNH-ZGRYLRDCSA-N 2 1 266.473 3.521 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C(c2ccccc2)c2ccccc2)CCN1C ZINC000178032624 1120056593 /nfs/dbraw/zinc/05/65/93/1120056593.db2.gz LCWSMRZGHLPWLS-APWZRJJASA-N 2 1 294.442 3.848 20 0 CHADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CC(C)(C)Cc3occc32)C1 ZINC000624120785 1120065213 /nfs/dbraw/zinc/06/52/13/1120065213.db2.gz GYXBOYCBWQVEIS-GOEBONIOSA-N 2 1 290.451 3.615 20 0 CHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000623657253 1120065440 /nfs/dbraw/zinc/06/54/40/1120065440.db2.gz MDZVGOSYJRDORU-QRQLOZEOSA-N 2 1 286.463 3.644 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1coc2ccccc12 ZINC000924590804 1120067827 /nfs/dbraw/zinc/06/78/27/1120067827.db2.gz CURBIQVXFYARQW-CYBMUJFWSA-N 2 1 284.403 3.710 20 0 CHADMP CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180105760 1120096830 /nfs/dbraw/zinc/09/68/30/1120096830.db2.gz MOTHUWPVZFFOBT-AYHJJNSGSA-N 2 1 272.436 3.572 20 0 CHADMP C[N@@H+](Cc1cc(Cl)cc2ccccc21)C1CC[NH2+]CC1 ZINC000903421680 1120104850 /nfs/dbraw/zinc/10/48/50/1120104850.db2.gz QZSJYBZRSSZXKK-UHFFFAOYSA-N 2 1 288.822 3.677 20 0 CHADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000353309481 1120122997 /nfs/dbraw/zinc/12/29/97/1120122997.db2.gz CKBQWISQLXZNCZ-STQMWFEESA-N 2 1 276.415 3.520 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC001116473025 1120127796 /nfs/dbraw/zinc/12/77/96/1120127796.db2.gz JHCBZZJDPMBLRJ-KBXCAEBGSA-N 2 1 290.426 3.598 20 0 CHADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000468555673 1120135732 /nfs/dbraw/zinc/13/57/32/1120135732.db2.gz SJBXFUQMHATHOP-YSHGAJCASA-N 2 1 286.463 3.703 20 0 CHADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000468555673 1120135737 /nfs/dbraw/zinc/13/57/37/1120135737.db2.gz SJBXFUQMHATHOP-YSHGAJCASA-N 2 1 286.463 3.703 20 0 CHADMP CCC[C@H](C)[NH+](C)C/C=C\C[N@H+](C)[C@@H](C)CCC ZINC000613639509 1120136598 /nfs/dbraw/zinc/13/65/98/1120136598.db2.gz IMKXDEMMJGTGHP-VNEPOGMYSA-N 2 1 254.462 3.783 20 0 CHADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000474726184 1120150479 /nfs/dbraw/zinc/15/04/79/1120150479.db2.gz OABSADTXCJFTPK-ARFHVFGLSA-N 2 1 292.467 3.507 20 0 CHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000111695822 1120154761 /nfs/dbraw/zinc/15/47/61/1120154761.db2.gz NSHSDCRZGYIKTE-GDBMZVCRSA-N 2 1 274.452 3.543 20 0 CHADMP CC(C)=CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564959994 1120166604 /nfs/dbraw/zinc/16/66/04/1120166604.db2.gz WVHFYFUINNMHTJ-SFHVURJKSA-N 2 1 284.447 3.739 20 0 CHADMP CC(C)=CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564959994 1120166608 /nfs/dbraw/zinc/16/66/08/1120166608.db2.gz WVHFYFUINNMHTJ-SFHVURJKSA-N 2 1 284.447 3.739 20 0 CHADMP C[C@@H](C[NH2+]C1c2ccccc2-c2ccccc21)C[NH+](C)C ZINC000314445333 1120206335 /nfs/dbraw/zinc/20/63/35/1120206335.db2.gz XRDJFEZKEMKVNZ-AWEZNQCLSA-N 2 1 280.415 3.544 20 0 CHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@](C)(c2ccccc2)C1 ZINC000472939679 1120276822 /nfs/dbraw/zinc/27/68/22/1120276822.db2.gz KLCIGNBCUWOKCF-OALUTQOASA-N 2 1 286.463 3.524 20 0 CHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000472939679 1120276828 /nfs/dbraw/zinc/27/68/28/1120276828.db2.gz KLCIGNBCUWOKCF-OALUTQOASA-N 2 1 286.463 3.524 20 0 CHADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000472939679 1120276832 /nfs/dbraw/zinc/27/68/32/1120276832.db2.gz KLCIGNBCUWOKCF-OALUTQOASA-N 2 1 286.463 3.524 20 0 CHADMP C[N@H+](Cc1cccc2ccccc21)C[C@H]1CCC[NH+](C)C1 ZINC000112657980 1120292260 /nfs/dbraw/zinc/29/22/60/1120292260.db2.gz YXULIIGYCFTLIZ-INIZCTEOSA-N 2 1 282.431 3.613 20 0 CHADMP C[NH+](Cc1cccc2ccccc21)C[C@H]1CCC[N@H+](C)C1 ZINC000112657980 1120292263 /nfs/dbraw/zinc/29/22/63/1120292263.db2.gz YXULIIGYCFTLIZ-INIZCTEOSA-N 2 1 282.431 3.613 20 0 CHADMP C[NH+](Cc1cccc2ccccc21)C[C@H]1CCC[N@@H+](C)C1 ZINC000112657980 1120292265 /nfs/dbraw/zinc/29/22/65/1120292265.db2.gz YXULIIGYCFTLIZ-INIZCTEOSA-N 2 1 282.431 3.613 20 0 CHADMP c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000659947139 1120302234 /nfs/dbraw/zinc/30/22/34/1120302234.db2.gz JIZIDXCSYDUTEJ-PKOBYXMFSA-N 2 1 298.474 3.524 20 0 CHADMP CC(C)(C)CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000499556134 1120321662 /nfs/dbraw/zinc/32/16/62/1120321662.db2.gz YQCJHSPDWMHBBZ-RDJZCZTQSA-N 2 1 278.484 3.761 20 0 CHADMP CC(C)(C)CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000499556134 1120321665 /nfs/dbraw/zinc/32/16/65/1120321665.db2.gz YQCJHSPDWMHBBZ-RDJZCZTQSA-N 2 1 278.484 3.761 20 0 CHADMP CC(C)(C)CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000499556134 1120321670 /nfs/dbraw/zinc/32/16/70/1120321670.db2.gz YQCJHSPDWMHBBZ-RDJZCZTQSA-N 2 1 278.484 3.761 20 0 CHADMP CC(C)c1cccc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000659983575 1120322386 /nfs/dbraw/zinc/32/23/86/1120322386.db2.gz QEENIPRJJALHIS-YJBOKZPZSA-N 2 1 274.452 3.725 20 0 CHADMP CC(C)c1cccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000659983575 1120322392 /nfs/dbraw/zinc/32/23/92/1120322392.db2.gz QEENIPRJJALHIS-YJBOKZPZSA-N 2 1 274.452 3.725 20 0 CHADMP CC(C)c1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000659983575 1120322398 /nfs/dbraw/zinc/32/23/98/1120322398.db2.gz QEENIPRJJALHIS-YJBOKZPZSA-N 2 1 274.452 3.725 20 0 CHADMP Cc1cc[nH+]c(N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000382050441 1120331009 /nfs/dbraw/zinc/33/10/09/1120331009.db2.gz MNZDFXUZNVSEDI-AEFFLSMTSA-N 2 1 295.430 3.713 20 0 CHADMP Cc1cc[nH+]c(N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000382050441 1120331012 /nfs/dbraw/zinc/33/10/12/1120331012.db2.gz MNZDFXUZNVSEDI-AEFFLSMTSA-N 2 1 295.430 3.713 20 0 CHADMP Cc1sccc1C[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000339184608 1120352122 /nfs/dbraw/zinc/35/21/22/1120352122.db2.gz RDAPWSPBRXDLCW-ZIAGYGMSSA-N 2 1 280.481 3.514 20 0 CHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCC(C)(C)C)[C@@H](C)C1 ZINC000499631654 1120372397 /nfs/dbraw/zinc/37/23/97/1120372397.db2.gz COAOCOPXXRLLOK-DLBZAZTESA-N 2 1 298.515 3.539 20 0 CHADMP C[C@@H](Cc1ccsc1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000543081639 1120403030 /nfs/dbraw/zinc/40/30/30/1120403030.db2.gz YILBJGKRFYCTTJ-DOTOQJQBSA-N 2 1 292.492 3.629 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)C(c1ccccc1)c1ccccc1 ZINC000629548389 1128915154 /nfs/dbraw/zinc/91/51/54/1128915154.db2.gz OEHFDTHGIGCWLV-TXPKVOOTSA-N 2 1 294.442 3.547 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C2CC2)cc1 ZINC000417356888 1120435433 /nfs/dbraw/zinc/43/54/33/1120435433.db2.gz QNRJSGXHKSMEFO-GLJUWKHASA-N 2 1 272.436 3.697 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C2CC2)cc1 ZINC000417356888 1120435437 /nfs/dbraw/zinc/43/54/37/1120435437.db2.gz QNRJSGXHKSMEFO-GLJUWKHASA-N 2 1 272.436 3.697 20 0 CHADMP CSCc1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000922171659 1120443974 /nfs/dbraw/zinc/44/39/74/1120443974.db2.gz NKWVAWNPCQWUSZ-UHFFFAOYSA-N 2 1 292.492 3.514 20 0 CHADMP CC[C@H]1c2ccccc2CC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207486446 1120489322 /nfs/dbraw/zinc/48/93/22/1120489322.db2.gz IUCYXUNOPQIVCZ-IBGZPJMESA-N 2 1 286.463 3.728 20 0 CHADMP C[N@@H+](CCC1CC[NH+](C)CC1)C(C)(C)Cc1ccccc1 ZINC001207486720 1120490533 /nfs/dbraw/zinc/49/05/33/1120490533.db2.gz BTOODNRLYSFAJT-UHFFFAOYSA-N 2 1 288.479 3.671 20 0 CHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000019913013 1120492154 /nfs/dbraw/zinc/49/21/54/1120492154.db2.gz KLWSNYSXZKFAJO-HOTGVXAUSA-N 2 1 260.425 3.602 20 0 CHADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC000922675811 1120579420 /nfs/dbraw/zinc/57/94/20/1120579420.db2.gz YCNMEIHEBQBWIK-HOCLYGCPSA-N 2 1 290.451 3.527 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000660417127 1120589955 /nfs/dbraw/zinc/58/99/55/1120589955.db2.gz SAVZNXPKGLJOFO-IXDOHACOSA-N 2 1 289.467 3.594 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000660417127 1120589959 /nfs/dbraw/zinc/58/99/59/1120589959.db2.gz SAVZNXPKGLJOFO-IXDOHACOSA-N 2 1 289.467 3.594 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429039545 1120625744 /nfs/dbraw/zinc/62/57/44/1120625744.db2.gz ILABLOHDDVEIDQ-UZLBHIALSA-N 2 1 294.442 3.928 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429039545 1120625747 /nfs/dbraw/zinc/62/57/47/1120625747.db2.gz ILABLOHDDVEIDQ-UZLBHIALSA-N 2 1 294.442 3.928 20 0 CHADMP C[N@@H+](CC[C@@H]1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000660542452 1120653221 /nfs/dbraw/zinc/65/32/21/1120653221.db2.gz QWVFDSPKVPTSRY-HTUJPFKRSA-N 2 1 298.474 3.664 20 0 CHADMP C[NH+](CC[C@@H]1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000660542452 1120653223 /nfs/dbraw/zinc/65/32/23/1120653223.db2.gz QWVFDSPKVPTSRY-HTUJPFKRSA-N 2 1 298.474 3.664 20 0 CHADMP C[NH+](CC[C@@H]1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000660542452 1120653225 /nfs/dbraw/zinc/65/32/25/1120653225.db2.gz QWVFDSPKVPTSRY-HTUJPFKRSA-N 2 1 298.474 3.664 20 0 CHADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CC[C@@H](c4ccccc4)C3)C2)C1 ZINC000660616273 1120668356 /nfs/dbraw/zinc/66/83/56/1120668356.db2.gz IWBRPRSKMDSFES-MISYRCLQSA-N 2 1 298.474 3.598 20 0 CHADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H]3CC[C@@H](c4ccccc4)C3)C2)C1 ZINC000660616273 1120668359 /nfs/dbraw/zinc/66/83/59/1120668359.db2.gz IWBRPRSKMDSFES-MISYRCLQSA-N 2 1 298.474 3.598 20 0 CHADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H]3CC[C@@H](c4ccccc4)C3)C2)C1 ZINC000660616273 1120668361 /nfs/dbraw/zinc/66/83/61/1120668361.db2.gz IWBRPRSKMDSFES-MISYRCLQSA-N 2 1 298.474 3.598 20 0 CHADMP C[N@H+]1CCC[C@]2(CC[NH+](CC[C@@H]3CCc4ccccc43)C2)C1 ZINC000660642726 1120673528 /nfs/dbraw/zinc/67/35/28/1120673528.db2.gz UXVOEVUHUJVEBF-ICSRJNTNSA-N 2 1 298.474 3.524 20 0 CHADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000657936302 1120674149 /nfs/dbraw/zinc/67/41/49/1120674149.db2.gz FIFKGWMRYPRDSY-KRWDZBQOSA-N 2 1 292.854 3.513 20 0 CHADMP C[C@H]([NH3+])[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)c1ccccc1 ZINC000925715796 1120676086 /nfs/dbraw/zinc/67/60/86/1120676086.db2.gz HUYPKLBMSPQJHG-WCQYABFASA-N 2 1 288.357 3.643 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000661579631 1120782205 /nfs/dbraw/zinc/78/22/05/1120782205.db2.gz YZZVKDZCFNJNNP-SFHVURJKSA-N 2 1 289.467 3.874 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000661579631 1120782208 /nfs/dbraw/zinc/78/22/08/1120782208.db2.gz YZZVKDZCFNJNNP-SFHVURJKSA-N 2 1 289.467 3.874 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCC2CCC2)C3)cc1 ZINC000779436822 1128943973 /nfs/dbraw/zinc/94/39/73/1128943973.db2.gz JUPUUFJUBZUTPW-ACDBMABISA-N 2 1 298.474 3.962 20 0 CHADMP C[C@H]1C[C@@H]([N@@H+](C)CCC2CC[NH2+]CC2)CC(C)(C)C1 ZINC000709626279 1120850925 /nfs/dbraw/zinc/85/09/25/1120850925.db2.gz AEVUQAULKUFHOD-GOEBONIOSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@H](C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000247249050 1120875769 /nfs/dbraw/zinc/87/57/69/1120875769.db2.gz ZQSCIXLAENBPKK-IEBWSBKVSA-N 2 1 286.463 3.740 20 0 CHADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)c2cccc3ccccc32)C1 ZINC000251604484 1120882661 /nfs/dbraw/zinc/88/26/61/1120882661.db2.gz ZZFPDOUWXUFXDS-CVEARBPZSA-N 2 1 282.431 3.832 20 0 CHADMP C[C@H](CCC(C)(C)C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000388594828 1120886567 /nfs/dbraw/zinc/88/65/67/1120886567.db2.gz ZZCZKQXZQGFHCT-WZYMTQMTSA-N 2 1 266.473 3.806 20 0 CHADMP C[C@H](CCC(C)(C)C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000388594828 1120886565 /nfs/dbraw/zinc/88/65/65/1120886565.db2.gz ZZCZKQXZQGFHCT-WZYMTQMTSA-N 2 1 266.473 3.806 20 0 CHADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000662245810 1120911076 /nfs/dbraw/zinc/91/10/76/1120911076.db2.gz OZDIRMUXZNMJSC-RWQQGDIJSA-N 2 1 286.463 3.630 20 0 CHADMP CCC[N@@H+](CC[C@H]1CCc2ccccc21)C1CC[NH2+]CC1 ZINC000662264935 1120913193 /nfs/dbraw/zinc/91/31/93/1120913193.db2.gz SEKXXYHLSWGKTG-QGZVFWFLSA-N 2 1 286.463 3.571 20 0 CHADMP c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662263532 1120913899 /nfs/dbraw/zinc/91/38/99/1120913899.db2.gz CBCJCLKQFMKPME-HBFSDRIKSA-N 2 1 298.474 3.571 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc(C(C)C)c1 ZINC000663315470 1120922518 /nfs/dbraw/zinc/92/25/18/1120922518.db2.gz KKAMVRWBRHEPMD-OAHLLOKOSA-N 2 1 285.435 3.741 20 0 CHADMP C[C@@H]1CCC[N@@H+](Cc2cccc(C(F)F)c2)[C@@H]1CCC[NH3+] ZINC000662316142 1120924873 /nfs/dbraw/zinc/92/48/73/1120924873.db2.gz KIFQOBMHEKTTDG-CZUORRHYSA-N 2 1 296.405 3.964 20 0 CHADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3C[C@@H]4CCCC[C@H]34)CC[NH2+]2)cc1 ZINC000925764892 1120930395 /nfs/dbraw/zinc/93/03/95/1120930395.db2.gz KMIMJIRBTVEGHB-VPAKFMSCSA-N 2 1 284.447 3.648 20 0 CHADMP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663464146 1120980652 /nfs/dbraw/zinc/98/06/52/1120980652.db2.gz COWVDGNIRSDRPD-ZACQAIPSSA-N 2 1 278.484 3.523 20 0 CHADMP CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CCC1 ZINC000663466207 1120980904 /nfs/dbraw/zinc/98/09/04/1120980904.db2.gz PKIPYTHMCCEQGS-WMZOPIPTSA-N 2 1 278.484 3.667 20 0 CHADMP c1ccc(C2CC([NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)C2)cc1 ZINC000663467431 1120981590 /nfs/dbraw/zinc/98/15/90/1120981590.db2.gz FUWLDHHEVFPXNN-QHGAOEGBSA-N 2 1 298.474 3.644 20 0 CHADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467308 1120981994 /nfs/dbraw/zinc/98/19/94/1120981994.db2.gz DTSHZNQNHRDYSR-WRWLIDTKSA-N 2 1 298.474 3.632 20 0 CHADMP Cc1ccc(N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000390807798 1120990401 /nfs/dbraw/zinc/99/04/01/1120990401.db2.gz NHQZRJYMVOXBFU-SJLPKXTDSA-N 2 1 295.430 3.713 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CC1CC1)C(C)C ZINC001167824254 1120996309 /nfs/dbraw/zinc/99/63/09/1120996309.db2.gz CVWJEUBKRGVHDI-OAHLLOKOSA-N 2 1 254.462 3.617 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1Cc2cccc(F)c2C1 ZINC001167824684 1120998021 /nfs/dbraw/zinc/99/80/21/1120998021.db2.gz FGNHRWNZKBJDRH-AWEZNQCLSA-N 2 1 278.415 3.652 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1cccs1 ZINC001167825477 1120999968 /nfs/dbraw/zinc/99/99/68/1120999968.db2.gz JLBLFLUMYZGZIT-AWEZNQCLSA-N 2 1 268.470 3.690 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1ccc(C)cc1 ZINC001167826615 1121001619 /nfs/dbraw/zinc/00/16/19/1121001619.db2.gz PBAWBWLTCKFHJC-KRWDZBQOSA-N 2 1 276.468 3.937 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237056894 1128957238 /nfs/dbraw/zinc/95/72/38/1128957238.db2.gz KZBMTAIEHNJZKZ-SJORKVTESA-N 2 1 266.473 3.820 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1Cc2ccccc2C[C@@H]1C ZINC001167841387 1121058712 /nfs/dbraw/zinc/05/87/12/1121058712.db2.gz MAXZLGIAYPANHN-IRXDYDNUSA-N 2 1 288.479 3.944 20 0 CHADMP CCC[N@@H+](CC(C)C)[C@@H](C)CCC[NH+](CC)CC ZINC001167841933 1121062322 /nfs/dbraw/zinc/06/23/22/1121062322.db2.gz UUMRJQPPEAVOLA-INIZCTEOSA-N 2 1 256.478 3.865 20 0 CHADMP Cc1nccn1CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000282518194 1121065137 /nfs/dbraw/zinc/06/51/37/1121065137.db2.gz SWCOQDLZHWOKJE-REPLKXPHSA-N 2 1 295.430 3.602 20 0 CHADMP CC(C)[N@@H+](C)CCCN[C@@H]1CCCc2ccc(F)cc21 ZINC000344066186 1121072727 /nfs/dbraw/zinc/07/27/27/1121072727.db2.gz ASKQKIPQEURAHL-QGZVFWFLSA-N 2 1 278.415 3.523 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000344066186 1121072732 /nfs/dbraw/zinc/07/27/32/1121072732.db2.gz ASKQKIPQEURAHL-QGZVFWFLSA-N 2 1 278.415 3.523 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000344066186 1121072740 /nfs/dbraw/zinc/07/27/40/1121072740.db2.gz ASKQKIPQEURAHL-QGZVFWFLSA-N 2 1 278.415 3.523 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000344092754 1121080843 /nfs/dbraw/zinc/08/08/43/1121080843.db2.gz RAMOTISOIBHKCE-QGZVFWFLSA-N 2 1 278.415 3.525 20 0 CHADMP CC[C@@H](C)C[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182058109 1121086113 /nfs/dbraw/zinc/08/61/13/1121086113.db2.gz XIIMSKVQPDANQJ-OAHLLOKOSA-N 2 1 289.467 3.675 20 0 CHADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CCC(C(F)(F)F)CC1 ZINC000344131669 1121098813 /nfs/dbraw/zinc/09/88/13/1121098813.db2.gz OBXGPAAQJKKARV-MOKVOYLWSA-N 2 1 292.389 3.524 20 0 CHADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CCC(C(F)(F)F)CC1 ZINC000344131669 1121098824 /nfs/dbraw/zinc/09/88/24/1121098824.db2.gz OBXGPAAQJKKARV-MOKVOYLWSA-N 2 1 292.389 3.524 20 0 CHADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C1CCC(C(F)(F)F)CC1 ZINC000344131669 1121098834 /nfs/dbraw/zinc/09/88/34/1121098834.db2.gz OBXGPAAQJKKARV-MOKVOYLWSA-N 2 1 292.389 3.524 20 0 CHADMP C(CC[NH+]1CCC2(CCC2)C1)CC[N@H+]1CCC2(CCC2)C1 ZINC000344214941 1121121782 /nfs/dbraw/zinc/12/17/82/1121121782.db2.gz HHPPRPBDPBEHGZ-UHFFFAOYSA-N 2 1 290.495 3.909 20 0 CHADMP C/C(=C/c1ccccc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597706 1128964827 /nfs/dbraw/zinc/96/48/27/1128964827.db2.gz YPVNRFRIVSTHDZ-LYDJUCFBSA-N 2 1 284.447 3.508 20 0 CHADMP C/C(=C/c1ccccc1)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597706 1128964832 /nfs/dbraw/zinc/96/48/32/1128964832.db2.gz YPVNRFRIVSTHDZ-LYDJUCFBSA-N 2 1 284.447 3.508 20 0 CHADMP CCC[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512244744 1121223014 /nfs/dbraw/zinc/22/30/14/1121223014.db2.gz OTXXSXFFNRHUGZ-IEBWSBKVSA-N 2 1 286.463 3.773 20 0 CHADMP CC(C)CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512249949 1121227784 /nfs/dbraw/zinc/22/77/84/1121227784.db2.gz BCRXYRLNHPJACB-IBGZPJMESA-N 2 1 286.463 3.631 20 0 CHADMP CC(C)CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512249949 1121227788 /nfs/dbraw/zinc/22/77/88/1121227788.db2.gz BCRXYRLNHPJACB-IBGZPJMESA-N 2 1 286.463 3.631 20 0 CHADMP CC(C)CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512249949 1121227794 /nfs/dbraw/zinc/22/77/94/1121227794.db2.gz BCRXYRLNHPJACB-IBGZPJMESA-N 2 1 286.463 3.631 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000093742247 1128972787 /nfs/dbraw/zinc/97/27/87/1128972787.db2.gz XZCUICQZWKRRJJ-YQQAZPJKSA-N 2 1 290.451 3.567 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000093770124 1128973737 /nfs/dbraw/zinc/97/37/37/1128973737.db2.gz BEHSJALMSNYPFM-CQSZACIVSA-N 2 1 288.460 3.675 20 0 CHADMP FC(F)c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000131517732 1121410342 /nfs/dbraw/zinc/41/03/42/1121410342.db2.gz MKGVAFAPXVXUQJ-CVEARBPZSA-N 2 1 294.389 3.588 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](CC)Cc1cccs1 ZINC000676211614 1121415182 /nfs/dbraw/zinc/41/51/82/1121415182.db2.gz BBTROTXCFBYWBW-GJZGRUSLSA-N 2 1 282.497 3.779 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](CC)Cc1cccs1 ZINC000676211614 1121415185 /nfs/dbraw/zinc/41/51/85/1121415185.db2.gz BBTROTXCFBYWBW-GJZGRUSLSA-N 2 1 282.497 3.779 20 0 CHADMP c1ccc2cc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)ccc2c1 ZINC000314701480 1121442172 /nfs/dbraw/zinc/44/21/72/1121442172.db2.gz JTHYPXPOKAWODC-WOJBJXKFSA-N 2 1 294.442 3.804 20 0 CHADMP C[N@@H+](CCCCCC[NH3+])Cc1csc2ccccc12 ZINC000710835654 1121475674 /nfs/dbraw/zinc/47/56/74/1121475674.db2.gz YGRGGTSCZULWKD-UHFFFAOYSA-N 2 1 276.449 3.852 20 0 CHADMP C[N@@H+](CCCCCC[NH3+])[C@H]1CCCc2ccccc21 ZINC000710761914 1121475935 /nfs/dbraw/zinc/47/59/35/1121475935.db2.gz XXFIMAIJGCPYHY-KRWDZBQOSA-N 2 1 260.425 3.515 20 0 CHADMP C[N@@H+](CCCCCC[NH3+])[C@@H]1CCCc2ccccc21 ZINC000710761916 1121476235 /nfs/dbraw/zinc/47/62/35/1121476235.db2.gz XXFIMAIJGCPYHY-QGZVFWFLSA-N 2 1 260.425 3.515 20 0 CHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC4CCC4)[C@@H]3C2)cc1 ZINC000512614306 1121493844 /nfs/dbraw/zinc/49/38/44/1121493844.db2.gz VMQBSPJGUOGBMA-ZCNNSNEGSA-N 2 1 298.474 3.677 20 0 CHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC4CCC4)[C@H]3C2)cc1 ZINC000512614303 1121494033 /nfs/dbraw/zinc/49/40/33/1121494033.db2.gz VMQBSPJGUOGBMA-UFYCRDLUSA-N 2 1 298.474 3.677 20 0 CHADMP CC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000512632100 1121499850 /nfs/dbraw/zinc/49/98/50/1121499850.db2.gz WZFPPCMYKDZNHK-CEXWTWQISA-N 2 1 298.474 3.677 20 0 CHADMP [NH3+]Cc1ccc(Nc2cc[nH+]c(-c3ccccc3)c2)cc1 ZINC001175966141 1121505371 /nfs/dbraw/zinc/50/53/71/1121505371.db2.gz HAAQSHGTKYQZNT-UHFFFAOYSA-N 2 1 275.355 3.951 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C1CCC1)C1CCCC1 ZINC000711840591 1121578711 /nfs/dbraw/zinc/57/87/11/1121578711.db2.gz OEPFXSPEOFYPRJ-KRWDZBQOSA-N 2 1 275.440 3.530 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC12CCCC2 ZINC000429439631 1121583705 /nfs/dbraw/zinc/58/37/05/1121583705.db2.gz ATRXCBNGVQJMNE-NEWSRXKRSA-N 2 1 298.474 3.819 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC12CCCC2 ZINC000429439631 1121583708 /nfs/dbraw/zinc/58/37/08/1121583708.db2.gz ATRXCBNGVQJMNE-NEWSRXKRSA-N 2 1 298.474 3.819 20 0 CHADMP Cc1c[nH+]c(Nc2ccc(C[NH+](C)C)cc2)c(C)c1 ZINC001176291564 1121590676 /nfs/dbraw/zinc/59/06/76/1121590676.db2.gz GFHKXQUUNNXZMU-UHFFFAOYSA-N 2 1 255.365 3.504 20 0 CHADMP C[C@H](CCC1CCCCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000161600162 1121643993 /nfs/dbraw/zinc/64/39/93/1121643993.db2.gz NPUUIHXLZYXMBA-KBAYOESNSA-N 2 1 278.484 3.952 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1F ZINC000161622299 1121644908 /nfs/dbraw/zinc/64/49/08/1121644908.db2.gz BNBKTUNXXTZHKM-CPUCHLNUSA-N 2 1 294.389 3.632 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1F ZINC000161622299 1121644911 /nfs/dbraw/zinc/64/49/11/1121644911.db2.gz BNBKTUNXXTZHKM-CPUCHLNUSA-N 2 1 294.389 3.632 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2c(c1)CCCC2 ZINC000161643602 1121647925 /nfs/dbraw/zinc/64/79/25/1121647925.db2.gz GHQGOGPEJREOJE-UIAACRFSSA-N 2 1 298.474 3.843 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2cccc(F)c2)C(C)(C)C)CC[N@@H+]1C ZINC000162180613 1121662607 /nfs/dbraw/zinc/66/26/07/1121662607.db2.gz NSWOXAQLUSOEHQ-COXVUDFISA-N 2 1 292.442 3.985 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2cccc(F)c2)C(C)(C)C)CC[N@H+]1C ZINC000162180613 1121662611 /nfs/dbraw/zinc/66/26/11/1121662611.db2.gz NSWOXAQLUSOEHQ-COXVUDFISA-N 2 1 292.442 3.985 20 0 CHADMP Cc1nccn1CCC[N@H+](C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419336656 1121665893 /nfs/dbraw/zinc/66/58/93/1121665893.db2.gz PVWOYBSSTJJBOL-JKSUJKDBSA-N 2 1 277.456 3.728 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419336656 1121665895 /nfs/dbraw/zinc/66/58/95/1121665895.db2.gz PVWOYBSSTJJBOL-JKSUJKDBSA-N 2 1 277.456 3.728 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419336656 1121665897 /nfs/dbraw/zinc/66/58/97/1121665897.db2.gz PVWOYBSSTJJBOL-JKSUJKDBSA-N 2 1 277.456 3.728 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1(C)C ZINC001177148326 1121715358 /nfs/dbraw/zinc/71/53/58/1121715358.db2.gz DNBUBJUDRJWPJB-NXOAAHMSSA-N 2 1 278.484 3.808 20 0 CHADMP CC[C@@H](C[NH2+]CC1CCC(C(C)C)CC1)[NH+]1CCCC1 ZINC001177223015 1121718089 /nfs/dbraw/zinc/71/80/89/1121718089.db2.gz YVIDRFJRGMHSHM-ABHNRTSZSA-N 2 1 280.500 3.913 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206297679 1121721231 /nfs/dbraw/zinc/72/12/31/1121721231.db2.gz ZZQPSTIMOJSKDH-IAGOWNOFSA-N 2 1 266.473 3.820 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@H](CCC(C)C)C1 ZINC001177328121 1121724960 /nfs/dbraw/zinc/72/49/60/1121724960.db2.gz IAHIBJPMQLMCNC-DLBZAZTESA-N 2 1 277.456 3.776 20 0 CHADMP C[N@@H+](Cc1cccs1)Cc1ccc(-n2ccnc2)cc1 ZINC000070737537 1121732770 /nfs/dbraw/zinc/73/27/70/1121732770.db2.gz IXHVYWMXWLLZDR-UHFFFAOYSA-N 2 1 283.400 3.566 20 0 CHADMP CCCC[C@@H](CC)CC[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000535597456 1121745691 /nfs/dbraw/zinc/74/56/91/1121745691.db2.gz HZJFVINHLIIMQA-CVEARBPZSA-N 2 1 254.462 3.524 20 0 CHADMP CC[C@@H]1CCC[C@@H](C[NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC001178872113 1121825661 /nfs/dbraw/zinc/82/56/61/1121825661.db2.gz DLTVAFGXOXRPEJ-HZPDHXFCSA-N 2 1 266.473 3.667 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2-c2ccccc2)C1 ZINC000731041704 1121844842 /nfs/dbraw/zinc/84/48/42/1121844842.db2.gz PZSAULKKRSJINE-QGZVFWFLSA-N 2 1 294.442 3.785 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](C)c2ccc(C)cc2)C1 ZINC001179855704 1121916549 /nfs/dbraw/zinc/91/65/49/1121916549.db2.gz ZXNCDWKHERAEGS-ZWKOTPCHSA-N 2 1 288.479 3.762 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](C)c2ccc(C)cc2)C1 ZINC001179855704 1121916554 /nfs/dbraw/zinc/91/65/54/1121916554.db2.gz ZXNCDWKHERAEGS-ZWKOTPCHSA-N 2 1 288.479 3.762 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](C)c2ccc(C)cc2)C1 ZINC001179855704 1121916557 /nfs/dbraw/zinc/91/65/57/1121916557.db2.gz ZXNCDWKHERAEGS-ZWKOTPCHSA-N 2 1 288.479 3.762 20 0 CHADMP CC(C)CC[N@@H+](CC1CC[NH+](C)CC1)C1CCCC1 ZINC001179993572 1121935409 /nfs/dbraw/zinc/93/54/09/1121935409.db2.gz NCGJFUHQBOGYAT-UHFFFAOYSA-N 2 1 266.473 3.619 20 0 CHADMP c1ccc(-c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2)cc1 ZINC000262563023 1129019490 /nfs/dbraw/zinc/01/94/90/1129019490.db2.gz VXUCTIGHABBBJN-PMACEKPBSA-N 2 1 292.426 3.537 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC001180058436 1121943965 /nfs/dbraw/zinc/94/39/65/1121943965.db2.gz RACNMFAEOHRJDP-IRXDYDNUSA-N 2 1 280.500 3.867 20 0 CHADMP CC[C@@H]1C[C@]1([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(C)c1 ZINC000419725379 1121965182 /nfs/dbraw/zinc/96/51/82/1121965182.db2.gz IKCXARXGDGCJLU-RSPOEFSDSA-N 2 1 298.474 3.837 20 0 CHADMP CC[C@@H]1C[C@]1([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(C)c1 ZINC000419725370 1121965310 /nfs/dbraw/zinc/96/53/10/1121965310.db2.gz IKCXARXGDGCJLU-BTHPGYMESA-N 2 1 298.474 3.837 20 0 CHADMP CCC[N@H+](Cc1ccc(C)cc1)CC1CC[NH+](C)CC1 ZINC001180445211 1121986326 /nfs/dbraw/zinc/98/63/26/1121986326.db2.gz LOUZTCCUHRVGQP-UHFFFAOYSA-N 2 1 274.452 3.549 20 0 CHADMP CC(C)[C@@H](c1ccccc1)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420299197 1121997936 /nfs/dbraw/zinc/99/79/36/1121997936.db2.gz IFQRJLCWHQGBPR-WMZOPIPTSA-N 2 1 274.452 3.705 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)s1 ZINC000420298872 1121998204 /nfs/dbraw/zinc/99/82/04/1121998204.db2.gz IDSLBNABZSHHBR-CABCVRRESA-N 2 1 278.465 3.583 20 0 CHADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@H]1c1ccccc1 ZINC000420301218 1121998312 /nfs/dbraw/zinc/99/83/12/1121998312.db2.gz LDTOIKFEISHYPG-ZIFCJYIRSA-N 2 1 286.463 3.502 20 0 CHADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)[C@@H](C)c1cc2ccccc2o1 ZINC000420323993 1121999476 /nfs/dbraw/zinc/99/94/76/1121999476.db2.gz UWFVYBZRQJKSCL-LSDHHAIUSA-N 2 1 286.419 3.815 20 0 CHADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420315159 1122000846 /nfs/dbraw/zinc/00/08/46/1122000846.db2.gz ZWDVBGIRMMROCS-GOEBONIOSA-N 2 1 294.870 3.593 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330907 1122001435 /nfs/dbraw/zinc/00/14/35/1122001435.db2.gz QGEYLKGQORUZKM-BMFZPTHFSA-N 2 1 292.854 3.723 20 0 CHADMP Cc1ccc([C@H](C)[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000420325012 1122001935 /nfs/dbraw/zinc/00/19/35/1122001935.db2.gz VXOBJRFZTRTADF-IRXDYDNUSA-N 2 1 274.452 3.686 20 0 CHADMP Cc1ccc([C@@H](C)[N@@H+](C)CC[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000420325011 1122002371 /nfs/dbraw/zinc/00/23/71/1122002371.db2.gz VXOBJRFZTRTADF-IAGOWNOFSA-N 2 1 274.452 3.686 20 0 CHADMP c1ccc2c(c1)cccc2[C@@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420328530 1122002605 /nfs/dbraw/zinc/00/26/05/1122002605.db2.gz ZUQLAAMJRWQTAC-JXFKEZNVSA-N 2 1 294.442 3.976 20 0 CHADMP [NH3+]C[C@@H]([NH2+]Cc1cccc(C(F)F)c1)C1CCCCC1 ZINC000420375647 1122003204 /nfs/dbraw/zinc/00/32/04/1122003204.db2.gz UAQSKKMMNFIICC-OAHLLOKOSA-N 2 1 282.378 3.621 20 0 CHADMP C[C@@H](c1nccc2ccccc21)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC001180872861 1122020856 /nfs/dbraw/zinc/02/08/56/1122020856.db2.gz HLOITTMJKSGSFE-RDJZCZTQSA-N 2 1 297.446 3.712 20 0 CHADMP Cc1c[nH+]ccc1OC1CC[NH+](CC2(C(C)C)CC2)CC1 ZINC001181382265 1122051407 /nfs/dbraw/zinc/05/14/07/1122051407.db2.gz FUOVXGRARHUWQX-UHFFFAOYSA-N 2 1 288.435 3.669 20 0 CHADMP CCC[C@@H]([NH2+]C[C@@H](C)[NH+](CC)CC)[C@@H]1CC1(C)C ZINC001181409841 1122055897 /nfs/dbraw/zinc/05/58/97/1122055897.db2.gz FUDKZMQCZSOOOG-QLFBSQMISA-N 2 1 254.462 3.521 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC001181506606 1122060463 /nfs/dbraw/zinc/06/04/63/1122060463.db2.gz SKZCXJZWHWLCEN-RTBURBONSA-N 2 1 288.479 3.770 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000502288330 1122072977 /nfs/dbraw/zinc/07/29/77/1122072977.db2.gz QDYYVSMRAPAPHY-XMTFNYHQSA-N 2 1 278.484 3.809 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)oc1C ZINC000502412800 1122080468 /nfs/dbraw/zinc/08/04/68/1122080468.db2.gz FJSZLIUFPYAJRG-DOTOQJQBSA-N 2 1 292.467 3.915 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)oc1C ZINC000502412800 1122080476 /nfs/dbraw/zinc/08/04/76/1122080476.db2.gz FJSZLIUFPYAJRG-DOTOQJQBSA-N 2 1 292.467 3.915 20 0 CHADMP CC(C)[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(F)cc1 ZINC000502536437 1122100959 /nfs/dbraw/zinc/10/09/59/1122100959.db2.gz WPGNRACAIXHVBO-IAGOWNOFSA-N 2 1 278.415 3.597 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCCCC1(C)C ZINC001182126833 1122111942 /nfs/dbraw/zinc/11/19/42/1122111942.db2.gz JTWUZYZVAWLALQ-HUUCEWRRSA-N 2 1 254.462 3.665 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCCCC1(C)C ZINC001182126833 1122111944 /nfs/dbraw/zinc/11/19/44/1122111944.db2.gz JTWUZYZVAWLALQ-HUUCEWRRSA-N 2 1 254.462 3.665 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC001182151807 1122115059 /nfs/dbraw/zinc/11/50/59/1122115059.db2.gz CXXICMWEKOLUTG-LSDHHAIUSA-N 2 1 254.462 3.665 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC001182151807 1122115063 /nfs/dbraw/zinc/11/50/63/1122115063.db2.gz CXXICMWEKOLUTG-LSDHHAIUSA-N 2 1 254.462 3.665 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+]CCC1CCCCC1 ZINC001182152490 1122115914 /nfs/dbraw/zinc/11/59/14/1122115914.db2.gz ODHWJGXGSAWXLQ-HNNXBMFYSA-N 2 1 254.462 3.667 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]CCC1CCCCC1 ZINC001182152490 1122115916 /nfs/dbraw/zinc/11/59/16/1122115916.db2.gz ODHWJGXGSAWXLQ-HNNXBMFYSA-N 2 1 254.462 3.667 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC001182153223 1122116267 /nfs/dbraw/zinc/11/62/67/1122116267.db2.gz ZEBYQPHPUHNYOD-IRXDYDNUSA-N 2 1 276.468 3.809 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC001182153223 1122116270 /nfs/dbraw/zinc/11/62/70/1122116270.db2.gz ZEBYQPHPUHNYOD-IRXDYDNUSA-N 2 1 276.468 3.809 20 0 CHADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCC[C@H]2C(C)(C)C)s1 ZINC000414542635 1122147681 /nfs/dbraw/zinc/14/76/81/1122147681.db2.gz YHJHBCYMENAGSQ-ZIAGYGMSSA-N 2 1 295.496 3.509 20 0 CHADMP CC(C)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C(C)C)c1 ZINC000620119749 1129034972 /nfs/dbraw/zinc/03/49/72/1129034972.db2.gz JSKHOMNZYWTKDB-HDICACEKSA-N 2 1 286.463 3.585 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000502906208 1122155196 /nfs/dbraw/zinc/15/51/96/1122155196.db2.gz PUAZMDCVFQIVDV-WBVHZDCISA-N 2 1 292.854 3.614 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000502906208 1122155200 /nfs/dbraw/zinc/15/52/00/1122155200.db2.gz PUAZMDCVFQIVDV-WBVHZDCISA-N 2 1 292.854 3.614 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000502906208 1122155203 /nfs/dbraw/zinc/15/52/03/1122155203.db2.gz PUAZMDCVFQIVDV-WBVHZDCISA-N 2 1 292.854 3.614 20 0 CHADMP CC(C)[C@@H]1CCC[NH+]1C/C=C/C[N@@H+]1CCC[C@H]1C(C)C ZINC000620140078 1129036185 /nfs/dbraw/zinc/03/61/85/1129036185.db2.gz HKBSAVAKNOZRSD-ZBKUBXTQSA-N 2 1 278.484 3.783 20 0 CHADMP CC(C)C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccs1 ZINC000271877893 1122179873 /nfs/dbraw/zinc/17/98/73/1122179873.db2.gz OMUBCSQWNUKFCD-HNNXBMFYSA-N 2 1 278.465 3.687 20 0 CHADMP CC[C@H](Cc1cccs1)[NH2+]CCC[N@@H+](C)CC(C)C ZINC001182716031 1122184586 /nfs/dbraw/zinc/18/45/86/1122184586.db2.gz SZHGJSWYGAPCHV-OAHLLOKOSA-N 2 1 282.497 3.637 20 0 CHADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC001183093437 1122206319 /nfs/dbraw/zinc/20/63/19/1122206319.db2.gz BQEAZAXEKJYOIP-ATLSCFEFSA-N 2 1 278.484 3.523 20 0 CHADMP C[C@]1([NH3+])CCC[N@@H+](Cc2c[nH]c3cccc(Cl)c23)CC1 ZINC001205273054 1122224221 /nfs/dbraw/zinc/22/42/21/1122224221.db2.gz DBLRIBCWAVKUMX-INIZCTEOSA-N 2 1 291.826 3.525 20 0 CHADMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205273655 1122227440 /nfs/dbraw/zinc/22/74/40/1122227440.db2.gz NOSIDKOTJCYHPJ-SFHVURJKSA-N 2 1 274.452 3.687 20 0 CHADMP CC1(C)CC[N@@H+](Cc2cccc(C3CC3)c2)CC(C)(C)[NH2+]1 ZINC001184375152 1122272943 /nfs/dbraw/zinc/27/29/43/1122272943.db2.gz UHWNDSGVJPLLLD-UHFFFAOYSA-N 2 1 286.463 3.917 20 0 CHADMP CSc1ccc(Cl)cc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205296782 1122275767 /nfs/dbraw/zinc/27/57/67/1122275767.db2.gz UGWPQXKLQOKZMN-OAHLLOKOSA-N 2 1 298.883 3.765 20 0 CHADMP CSc1ccc(Cl)cc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205296782 1122275770 /nfs/dbraw/zinc/27/57/70/1122275770.db2.gz UGWPQXKLQOKZMN-OAHLLOKOSA-N 2 1 298.883 3.765 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000514889939 1122461452 /nfs/dbraw/zinc/46/14/52/1122461452.db2.gz DKEWUUKMNWCHRE-GOSISDBHSA-N 2 1 286.463 3.616 20 0 CHADMP C([NH2+]C1CCCCC1)[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000435752502 1122485284 /nfs/dbraw/zinc/48/52/84/1122485284.db2.gz YJWDFLPRSYTODO-KRWDZBQOSA-N 2 1 264.457 3.706 20 0 CHADMP C[C@H](F)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515382956 1122496316 /nfs/dbraw/zinc/49/63/16/1122496316.db2.gz HZAYDUMLDZRNQS-DOTOQJQBSA-N 2 1 290.426 3.521 20 0 CHADMP C[C@H](F)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515382956 1122496319 /nfs/dbraw/zinc/49/63/19/1122496319.db2.gz HZAYDUMLDZRNQS-DOTOQJQBSA-N 2 1 290.426 3.521 20 0 CHADMP CC[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000516099461 1122567926 /nfs/dbraw/zinc/56/79/26/1122567926.db2.gz BHIPUAVXBWXVPA-IRXDYDNUSA-N 2 1 274.452 3.500 20 0 CHADMP C[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)CC(C)(C)C ZINC001191070329 1122568096 /nfs/dbraw/zinc/56/80/96/1122568096.db2.gz KNKPQHFHGSOPHW-IAGOWNOFSA-N 2 1 280.500 3.867 20 0 CHADMP C[C@@H]1CCCC[C@H]1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC001191259414 1122584119 /nfs/dbraw/zinc/58/41/19/1122584119.db2.gz VMSPCWSVYZXBKZ-IKGGRYGDSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H]1CCCC[C@H]1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC001191259414 1122584122 /nfs/dbraw/zinc/58/41/22/1122584122.db2.gz VMSPCWSVYZXBKZ-IKGGRYGDSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H]1CCCC[C@H]1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC001191259414 1122584128 /nfs/dbraw/zinc/58/41/28/1122584128.db2.gz VMSPCWSVYZXBKZ-IKGGRYGDSA-N 2 1 266.473 3.619 20 0 CHADMP CCCc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCC)C2)cc1 ZINC001191365560 1122596785 /nfs/dbraw/zinc/59/67/85/1122596785.db2.gz BWEPTIRXPJKEAX-IBGZPJMESA-N 2 1 288.479 3.803 20 0 CHADMP CCCc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCC)C2)cc1 ZINC001191365560 1122596789 /nfs/dbraw/zinc/59/67/89/1122596789.db2.gz BWEPTIRXPJKEAX-IBGZPJMESA-N 2 1 288.479 3.803 20 0 CHADMP CCCc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCC)C2)cc1 ZINC001191365560 1122596793 /nfs/dbraw/zinc/59/67/93/1122596793.db2.gz BWEPTIRXPJKEAX-IBGZPJMESA-N 2 1 288.479 3.803 20 0 CHADMP C[C@H](C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)C1CCCCC1 ZINC001191443915 1122599875 /nfs/dbraw/zinc/59/98/75/1122599875.db2.gz HAIIESVOKOVPKM-AEFFLSMTSA-N 2 1 292.511 3.867 20 0 CHADMP C[C@H](C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)C1CCCCC1 ZINC001191443915 1122599880 /nfs/dbraw/zinc/59/98/80/1122599880.db2.gz HAIIESVOKOVPKM-AEFFLSMTSA-N 2 1 292.511 3.867 20 0 CHADMP C[C@H](C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)C1CCCCC1 ZINC001191443915 1122599885 /nfs/dbraw/zinc/59/98/85/1122599885.db2.gz HAIIESVOKOVPKM-AEFFLSMTSA-N 2 1 292.511 3.867 20 0 CHADMP C[C@H]1C[C@H](CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)C[C@@H](C)C1 ZINC001191519672 1122603189 /nfs/dbraw/zinc/60/31/89/1122603189.db2.gz ASRURUBOCBAHGK-SPOLIRPYSA-N 2 1 292.511 3.865 20 0 CHADMP Clc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(Cl)c1 ZINC000261945460 1122638363 /nfs/dbraw/zinc/63/83/63/1122638363.db2.gz FGAICKQEZYJMDX-UHFFFAOYSA-N 2 1 299.245 3.569 20 0 CHADMP C[C@H]1CC[N@@H+](CCCc2ccccc2Cl)CC[C@@H]1C[NH3+] ZINC001205604399 1122655007 /nfs/dbraw/zinc/65/50/07/1122655007.db2.gz VGIBZFGHEGKGKO-GOEBONIOSA-N 2 1 294.870 3.579 20 0 CHADMP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000425938334 1122669577 /nfs/dbraw/zinc/66/95/77/1122669577.db2.gz PPJXSCOQOXVUME-CHWSQXEVSA-N 2 1 298.858 3.587 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000438070560 1122672738 /nfs/dbraw/zinc/67/27/38/1122672738.db2.gz FCZOJMGWNZCQFR-MOPGFXCFSA-N 2 1 288.479 3.817 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000438108399 1122679179 /nfs/dbraw/zinc/67/91/79/1122679179.db2.gz KINXXUHPJBKMHH-HOTGVXAUSA-N 2 1 292.442 3.593 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000438108399 1122679180 /nfs/dbraw/zinc/67/91/80/1122679180.db2.gz KINXXUHPJBKMHH-HOTGVXAUSA-N 2 1 292.442 3.593 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000438108399 1122679182 /nfs/dbraw/zinc/67/91/82/1122679182.db2.gz KINXXUHPJBKMHH-HOTGVXAUSA-N 2 1 292.442 3.593 20 0 CHADMP CC(C)c1ccccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205637442 1122699566 /nfs/dbraw/zinc/69/95/66/1122699566.db2.gz HDTYEZROCQFPEB-HZPDHXFCSA-N 2 1 274.452 3.617 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000506342143 1122720637 /nfs/dbraw/zinc/72/06/37/1122720637.db2.gz SBGPZBSZSYXSJQ-MJGOQNOKSA-N 2 1 286.463 3.595 20 0 CHADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001193871231 1122726769 /nfs/dbraw/zinc/72/67/69/1122726769.db2.gz IHELLMFPRRHQAT-HNNXBMFYSA-N 2 1 290.451 3.915 20 0 CHADMP C(CC1CCCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167963698 1122755354 /nfs/dbraw/zinc/75/53/54/1122755354.db2.gz BHISEOCCKYITAD-YQQQUEKLSA-N 2 1 290.495 3.952 20 0 CHADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000506687625 1122806455 /nfs/dbraw/zinc/80/64/55/1122806455.db2.gz CHELLGPKLPBKDF-UHFFFAOYSA-N 2 1 288.479 3.900 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000506687625 1122806460 /nfs/dbraw/zinc/80/64/60/1122806460.db2.gz CHELLGPKLPBKDF-UHFFFAOYSA-N 2 1 288.479 3.900 20 0 CHADMP c1ccc([C@@H]2C[C@H]([NH2+]CCC3CC3)CC[N@@H+]2C2CC2)cc1 ZINC000638715930 1122848541 /nfs/dbraw/zinc/84/85/41/1122848541.db2.gz YECLAAUMDGTSFJ-MJGOQNOKSA-N 2 1 284.447 3.744 20 0 CHADMP c1ccc([C@@H]2C[C@H]([NH2+]CCC3CC3)CC[N@H+]2C2CC2)cc1 ZINC000638715930 1122848544 /nfs/dbraw/zinc/84/85/44/1122848544.db2.gz YECLAAUMDGTSFJ-MJGOQNOKSA-N 2 1 284.447 3.744 20 0 CHADMP FC1(F)CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167967929 1122848573 /nfs/dbraw/zinc/84/85/73/1122848573.db2.gz LLSLWZCMCIEILI-WZYMTQMTSA-N 2 1 298.421 3.559 20 0 CHADMP C[C@H](CC[NH2+]Cc1nccc2ccccc21)[NH+]1CCCCC1 ZINC000894446999 1122854848 /nfs/dbraw/zinc/85/48/48/1122854848.db2.gz WHFWUHAYESWUEL-MRXNPFEDSA-N 2 1 297.446 3.589 20 0 CHADMP C[C@@H]1CCC[C@@H](C)[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981679 1122896708 /nfs/dbraw/zinc/89/67/08/1122896708.db2.gz DXAWVZRGGNWNKI-SUQXETJPSA-N 2 1 276.468 3.655 20 0 CHADMP CC(C)C1(C)CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000426732213 1122911955 /nfs/dbraw/zinc/91/19/55/1122911955.db2.gz HSIHPBGMJPZGGO-MRXNPFEDSA-N 2 1 266.473 3.619 20 0 CHADMP Cc1cccc([C@H]([NH2+]CC[C@@H]2CCC[N@H+]2C)C(C)C)c1 ZINC001196781366 1122933769 /nfs/dbraw/zinc/93/37/69/1122933769.db2.gz ACNYZZOUBNKQSP-ZWKOTPCHSA-N 2 1 274.452 3.766 20 0 CHADMP c1ccc(-c2cccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)c2)cc1 ZINC000427109796 1122945066 /nfs/dbraw/zinc/94/50/66/1122945066.db2.gz RZSALAPFMASQGM-UXHICEINSA-N 2 1 292.426 3.537 20 0 CHADMP C[C@H]1C[N@@H+](CC2CCC3(CC3)CC2)CCN1c1cc[nH+]cc1 ZINC001197378401 1122955825 /nfs/dbraw/zinc/95/58/25/1122955825.db2.gz YJBJFNKEBDXBIK-INIZCTEOSA-N 2 1 299.462 3.563 20 0 CHADMP CCC1([NH+]2CCC2)CC[NH+](Cc2cc(C)sc2C)CC1 ZINC001197881901 1122971212 /nfs/dbraw/zinc/97/12/12/1122971212.db2.gz MLSVYVDAFMIJBD-UHFFFAOYSA-N 2 1 292.492 3.815 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205826769 1122980500 /nfs/dbraw/zinc/98/05/00/1122980500.db2.gz BNIWQKYPXFTXIA-GXTWGEPZSA-N 2 1 288.460 3.769 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205826769 1122980503 /nfs/dbraw/zinc/98/05/03/1122980503.db2.gz BNIWQKYPXFTXIA-GXTWGEPZSA-N 2 1 288.460 3.769 20 0 CHADMP Clc1ccc(C2([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000334277147 1122980696 /nfs/dbraw/zinc/98/06/96/1122980696.db2.gz DETKWIGIVSCKFP-CVEARBPZSA-N 2 1 290.838 3.546 20 0 CHADMP Clc1ccc(C2([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000334277147 1122980700 /nfs/dbraw/zinc/98/07/00/1122980700.db2.gz DETKWIGIVSCKFP-CVEARBPZSA-N 2 1 290.838 3.546 20 0 CHADMP CCC[NH+](CCC)CCC[NH2+]Cc1cccc(Cl)c1N ZINC001198900740 1123014940 /nfs/dbraw/zinc/01/49/40/1123014940.db2.gz KONJMCZLZRTEGN-UHFFFAOYSA-N 2 1 297.874 3.524 20 0 CHADMP CC(C)CC[C@H]([NH2+]CCC[NH2+]C(C)C)c1ccoc1 ZINC000519767381 1123023105 /nfs/dbraw/zinc/02/31/05/1123023105.db2.gz ZXXSODKURSPVMN-INIZCTEOSA-N 2 1 266.429 3.735 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205902003 1123060131 /nfs/dbraw/zinc/06/01/31/1123060131.db2.gz GUTUPTJRPZWDIZ-ULQDDVLXSA-N 2 1 266.473 3.818 20 0 CHADMP Cc1cccc([C@H](C)[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000441325611 1123078572 /nfs/dbraw/zinc/07/85/72/1123078572.db2.gz CKUIYYACSZAIDR-WMZOPIPTSA-N 2 1 274.452 3.862 20 0 CHADMP Cc1cccc([C@H](C)[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000441325611 1123078576 /nfs/dbraw/zinc/07/85/76/1123078576.db2.gz CKUIYYACSZAIDR-WMZOPIPTSA-N 2 1 274.452 3.862 20 0 CHADMP Cc1cccc([C@H](C)[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000441325611 1123078580 /nfs/dbraw/zinc/07/85/80/1123078580.db2.gz CKUIYYACSZAIDR-WMZOPIPTSA-N 2 1 274.452 3.862 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000441327987 1123079456 /nfs/dbraw/zinc/07/94/56/1123079456.db2.gz AJXHZJAZQKYCPW-FUHWJXTLSA-N 2 1 297.446 3.768 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000441327987 1123079462 /nfs/dbraw/zinc/07/94/62/1123079462.db2.gz AJXHZJAZQKYCPW-FUHWJXTLSA-N 2 1 297.446 3.768 20 0 CHADMP C(CC1CCCC1)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441400335 1123084553 /nfs/dbraw/zinc/08/45/53/1123084553.db2.gz KURKZOMPEYRTPL-HKUYNNGSSA-N 2 1 290.495 3.906 20 0 CHADMP C(CC1CCCC1)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441400335 1123084560 /nfs/dbraw/zinc/08/45/60/1123084560.db2.gz KURKZOMPEYRTPL-HKUYNNGSSA-N 2 1 290.495 3.906 20 0 CHADMP C(CC1CCCC1)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441400335 1123084564 /nfs/dbraw/zinc/08/45/64/1123084564.db2.gz KURKZOMPEYRTPL-HKUYNNGSSA-N 2 1 290.495 3.906 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1CC1CCCCC1 ZINC001201400015 1123092309 /nfs/dbraw/zinc/09/23/09/1123092309.db2.gz MNIAIELDJINRSR-ROUUACIJSA-N 2 1 278.484 3.906 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC001201400015 1123092315 /nfs/dbraw/zinc/09/23/15/1123092315.db2.gz MNIAIELDJINRSR-ROUUACIJSA-N 2 1 278.484 3.906 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CC1CCCCC1 ZINC001201400015 1123092318 /nfs/dbraw/zinc/09/23/18/1123092318.db2.gz MNIAIELDJINRSR-ROUUACIJSA-N 2 1 278.484 3.906 20 0 CHADMP Cc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167991569 1123093369 /nfs/dbraw/zinc/09/33/69/1123093369.db2.gz CSZWCXNLIGIRSX-YOFSQIOKSA-N 2 1 298.474 3.832 20 0 CHADMP Cc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167991569 1123093374 /nfs/dbraw/zinc/09/33/74/1123093374.db2.gz CSZWCXNLIGIRSX-YOFSQIOKSA-N 2 1 298.474 3.832 20 0 CHADMP Cc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167991569 1123093376 /nfs/dbraw/zinc/09/33/76/1123093376.db2.gz CSZWCXNLIGIRSX-YOFSQIOKSA-N 2 1 298.474 3.832 20 0 CHADMP Cc1cc[nH+]c(C)c1Nc1cccc(C[NH+](C)C)c1 ZINC001201392475 1123096689 /nfs/dbraw/zinc/09/66/89/1123096689.db2.gz INMCBRMLQNKAOZ-UHFFFAOYSA-N 2 1 255.365 3.504 20 0 CHADMP c1ccc([C@@H]2CC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167994270 1123104138 /nfs/dbraw/zinc/10/41/38/1123104138.db2.gz AVEUZNNLICZZDS-XNMUZJSGSA-N 2 1 296.458 3.839 20 0 CHADMP c1ccc([C@@H]2CC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167994270 1123104140 /nfs/dbraw/zinc/10/41/40/1123104140.db2.gz AVEUZNNLICZZDS-XNMUZJSGSA-N 2 1 296.458 3.839 20 0 CHADMP c1ccc([C@@H]2CC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167994270 1123104143 /nfs/dbraw/zinc/10/41/43/1123104143.db2.gz AVEUZNNLICZZDS-XNMUZJSGSA-N 2 1 296.458 3.839 20 0 CHADMP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978792 1123109521 /nfs/dbraw/zinc/10/95/21/1123109521.db2.gz YGCKONZNBRMLQL-DJIMGWMZSA-N 2 1 290.426 3.598 20 0 CHADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc3ccc(C)cc3o2)C1 ZINC000425924541 1123113606 /nfs/dbraw/zinc/11/36/06/1123113606.db2.gz MVCVXCHDMAEVJH-LSDHHAIUSA-N 2 1 286.419 3.734 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc3ccc(C)cc3o2)C1 ZINC000425924541 1123113611 /nfs/dbraw/zinc/11/36/11/1123113611.db2.gz MVCVXCHDMAEVJH-LSDHHAIUSA-N 2 1 286.419 3.734 20 0 CHADMP CC(C)C[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001201478531 1123114785 /nfs/dbraw/zinc/11/47/85/1123114785.db2.gz PUHUKDNWRKYBTQ-UHFFFAOYSA-N 2 1 294.870 3.892 20 0 CHADMP CC(C)C[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001201478531 1123114786 /nfs/dbraw/zinc/11/47/86/1123114786.db2.gz PUHUKDNWRKYBTQ-UHFFFAOYSA-N 2 1 294.870 3.892 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC001201557504 1123123640 /nfs/dbraw/zinc/12/36/40/1123123640.db2.gz KHNBAQJSPPJCMV-IRXDYDNUSA-N 2 1 280.500 3.913 20 0 CHADMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c(C)c1 ZINC001201559385 1123124353 /nfs/dbraw/zinc/12/43/53/1123124353.db2.gz YWYWYLHKGDACPH-GOSISDBHSA-N 2 1 288.479 3.761 20 0 CHADMP CCC[N@@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001201641438 1123135119 /nfs/dbraw/zinc/13/51/19/1123135119.db2.gz MJAHFMXEFMZQON-BZSNNMDCSA-N 2 1 272.436 3.507 20 0 CHADMP CCC[NH+]1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001201641438 1123135120 /nfs/dbraw/zinc/13/51/20/1123135120.db2.gz MJAHFMXEFMZQON-BZSNNMDCSA-N 2 1 272.436 3.507 20 0 CHADMP CCC[NH+]1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001201641438 1123135121 /nfs/dbraw/zinc/13/51/21/1123135121.db2.gz MJAHFMXEFMZQON-BZSNNMDCSA-N 2 1 272.436 3.507 20 0 CHADMP CCCCC[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001201737173 1123143431 /nfs/dbraw/zinc/14/34/31/1123143431.db2.gz GFGBHKRFXYPPSQ-UHFFFAOYSA-N 2 1 292.442 3.912 20 0 CHADMP CCCCC[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001201737173 1123143433 /nfs/dbraw/zinc/14/34/33/1123143433.db2.gz GFGBHKRFXYPPSQ-UHFFFAOYSA-N 2 1 292.442 3.912 20 0 CHADMP Cc1cc(F)cc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c1 ZINC001143586433 1123176081 /nfs/dbraw/zinc/17/60/81/1123176081.db2.gz MKGZIJZXVKBZBR-UHFFFAOYSA-N 2 1 292.442 3.686 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1CC1CCCC1 ZINC001202178560 1123181877 /nfs/dbraw/zinc/18/18/77/1123181877.db2.gz VKRCIJNZKSYWEK-IRXDYDNUSA-N 2 1 264.457 3.515 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CC1CCCC1 ZINC001202178560 1123181879 /nfs/dbraw/zinc/18/18/79/1123181879.db2.gz VKRCIJNZKSYWEK-IRXDYDNUSA-N 2 1 264.457 3.515 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CC1CCCC1 ZINC001202178560 1123181881 /nfs/dbraw/zinc/18/18/81/1123181881.db2.gz VKRCIJNZKSYWEK-IRXDYDNUSA-N 2 1 264.457 3.515 20 0 CHADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](CC4CCCC4)C[C@@H]3C2)cc1 ZINC001202189937 1123184514 /nfs/dbraw/zinc/18/45/14/1123184514.db2.gz GUXXHEHVYFQDPF-VQTJNVASSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](CC4CCCC4)C[C@@H]3C2)cc1 ZINC001202189937 1123184516 /nfs/dbraw/zinc/18/45/16/1123184516.db2.gz GUXXHEHVYFQDPF-VQTJNVASSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](CC4CCCC4)C[C@@H]3C2)cc1 ZINC001202189937 1123184518 /nfs/dbraw/zinc/18/45/18/1123184518.db2.gz GUXXHEHVYFQDPF-VQTJNVASSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](CC4CCCC4)C[C@H]3C2)cc1 ZINC001202189935 1123184649 /nfs/dbraw/zinc/18/46/49/1123184649.db2.gz GUXXHEHVYFQDPF-PMACEKPBSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](CC4CCCC4)C[C@H]3C2)cc1 ZINC001202189935 1123184650 /nfs/dbraw/zinc/18/46/50/1123184650.db2.gz GUXXHEHVYFQDPF-PMACEKPBSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](CC4CCCC4)C[C@H]3C2)cc1 ZINC001202189935 1123184652 /nfs/dbraw/zinc/18/46/52/1123184652.db2.gz GUXXHEHVYFQDPF-PMACEKPBSA-N 2 1 298.474 3.631 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC001202259304 1123190995 /nfs/dbraw/zinc/19/09/95/1123190995.db2.gz POMTVSZGLQRUGJ-CQSZACIVSA-N 2 1 268.489 3.911 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC23CCCC3)c1 ZINC000474021451 1123258123 /nfs/dbraw/zinc/25/81/23/1123258123.db2.gz HDYXTLBTHNJQIF-GOSISDBHSA-N 2 1 286.463 3.951 20 0 CHADMP C[N@H+](Cc1ccc(C2CCC2)cc1)CC1CC[NH+](C)CC1 ZINC000508213758 1123270440 /nfs/dbraw/zinc/27/04/40/1123270440.db2.gz JIXLUYGWRHWFQD-UHFFFAOYSA-N 2 1 286.463 3.728 20 0 CHADMP CC(C)CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccoc1 ZINC000428217989 1123282899 /nfs/dbraw/zinc/28/28/99/1123282899.db2.gz IQAQTHDFKNRVIJ-YJBOKZPZSA-N 2 1 290.451 3.831 20 0 CHADMP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc(-c2ccccc2)c1 ZINC000665277572 1123308440 /nfs/dbraw/zinc/30/84/40/1123308440.db2.gz FRXQHGGHRCGITN-LSWWBPAMSA-N 2 1 292.426 3.756 20 0 CHADMP C[C@H]([NH2+]C1CCC(C2CCC2)CC1)c1c[nH+]ccc1N ZINC000665283775 1123315971 /nfs/dbraw/zinc/31/59/71/1123315971.db2.gz UQVNGGQEMJUTLR-GRTSSRMGSA-N 2 1 273.424 3.504 20 0 CHADMP CSc1ccccc1[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000442713695 1123334661 /nfs/dbraw/zinc/33/46/61/1123334661.db2.gz JMDKGHVUMAFCSI-CQSZACIVSA-N 2 1 280.481 3.789 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccsc2S1 ZINC000271901697 1129115856 /nfs/dbraw/zinc/11/58/56/1129115856.db2.gz VRZKXEVXLYLGDR-FZMZJTMJSA-N 2 1 294.489 3.525 20 0 CHADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000271858586 1129115918 /nfs/dbraw/zinc/11/59/18/1129115918.db2.gz JUURPMSBXKRBIO-GFCCVEGCSA-N 2 1 298.352 3.618 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000271863471 1129115939 /nfs/dbraw/zinc/11/59/39/1129115939.db2.gz KYUQOBPEMLGGCJ-MOPGFXCFSA-N 2 1 284.447 3.564 20 0 CHADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc2ccccc2c1 ZINC000271914936 1129116365 /nfs/dbraw/zinc/11/63/65/1129116365.db2.gz YSGTUQMRDXVGDV-HNNXBMFYSA-N 2 1 280.415 3.752 20 0 CHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000272370089 1129118425 /nfs/dbraw/zinc/11/84/25/1129118425.db2.gz UPJOWMSBPGICKE-BQFCYCMXSA-N 2 1 298.430 3.841 20 0 CHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000272370089 1129118427 /nfs/dbraw/zinc/11/84/27/1129118427.db2.gz UPJOWMSBPGICKE-BQFCYCMXSA-N 2 1 298.430 3.841 20 0 CHADMP C[N@H+](CC[NH2+][C@@H]1CCCC12CCCC2)C1CCCC1 ZINC000328154667 1123402779 /nfs/dbraw/zinc/40/27/79/1123402779.db2.gz GGUCFBOTGPPKEZ-MRXNPFEDSA-N 2 1 264.457 3.563 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)C[C@@H](C)C1 ZINC000252114853 1123412618 /nfs/dbraw/zinc/41/26/18/1123412618.db2.gz IISPYOIGOZHJRR-TWMKSMIVSA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)[N@@H+](Cc1cc(Cl)cs1)[C@@H]1CCC[NH2+]CC1 ZINC001206599352 1129120927 /nfs/dbraw/zinc/12/09/27/1129120927.db2.gz RSSBWYCGMRVIMK-CYBMUJFWSA-N 2 1 286.872 3.754 20 0 CHADMP CCCC[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000157031170 1129121028 /nfs/dbraw/zinc/12/10/28/1129121028.db2.gz UCWQFZIXAMWUEX-SJLPKXTDSA-N 2 1 274.452 3.771 20 0 CHADMP CCCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157031170 1129121031 /nfs/dbraw/zinc/12/10/31/1129121031.db2.gz UCWQFZIXAMWUEX-SJLPKXTDSA-N 2 1 274.452 3.771 20 0 CHADMP CCCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157031170 1129121035 /nfs/dbraw/zinc/12/10/35/1129121035.db2.gz UCWQFZIXAMWUEX-SJLPKXTDSA-N 2 1 274.452 3.771 20 0 CHADMP CCCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157031170 1129121036 /nfs/dbraw/zinc/12/10/36/1129121036.db2.gz UCWQFZIXAMWUEX-SJLPKXTDSA-N 2 1 274.452 3.771 20 0 CHADMP CCCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157031170 1129121040 /nfs/dbraw/zinc/12/10/40/1129121040.db2.gz UCWQFZIXAMWUEX-SJLPKXTDSA-N 2 1 274.452 3.771 20 0 CHADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC[C@@H](C)CCC=C(C)C)C1 ZINC001205002056 1123491338 /nfs/dbraw/zinc/49/13/38/1123491338.db2.gz YKNBJASSALYUBI-IRXDYDNUSA-N 2 1 266.473 3.690 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H](C)C2CCCCC2)C1 ZINC000474465690 1123535215 /nfs/dbraw/zinc/53/52/15/1123535215.db2.gz DXJXHZOLOBLTSZ-BZUAXINKSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@@H]([C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CCCCC1 ZINC000474462726 1123535227 /nfs/dbraw/zinc/53/52/27/1123535227.db2.gz UIOLBYBNQDSSIV-HRCADAONSA-N 2 1 278.484 3.665 20 0 CHADMP CCCC[C@H](CC)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429524783 1123537547 /nfs/dbraw/zinc/53/75/47/1123537547.db2.gz AYNAHWMKXDBQGS-HOTGVXAUSA-N 2 1 254.462 3.619 20 0 CHADMP CCCC[C@H](CC)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429524785 1123538044 /nfs/dbraw/zinc/53/80/44/1123538044.db2.gz AYNAHWMKXDBQGS-JKSUJKDBSA-N 2 1 254.462 3.619 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](C(C)C)C2)C1 ZINC000474602595 1123556595 /nfs/dbraw/zinc/55/65/95/1123556595.db2.gz NCNONADIBIFKGY-IXDOHACOSA-N 2 1 266.473 3.523 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@H](c2ccccc2)C(C)C)C1 ZINC000474604004 1123557284 /nfs/dbraw/zinc/55/72/84/1123557284.db2.gz PYMCCEIBJHDQEA-MJGOQNOKSA-N 2 1 288.479 3.748 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@H+](C/C=C\c2ccc(Cl)cc2)CC1 ZINC000429533648 1123561404 /nfs/dbraw/zinc/56/14/04/1123561404.db2.gz BVEUSLDNXDNXLI-IVZVJUQRSA-N 2 1 292.854 3.769 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@@H+](C/C=C\c2ccc(Cl)cc2)CC1 ZINC000429533648 1123561406 /nfs/dbraw/zinc/56/14/06/1123561406.db2.gz BVEUSLDNXDNXLI-IVZVJUQRSA-N 2 1 292.854 3.769 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]CCCC(C)(F)F)C[C@H]1c1ccccc1 ZINC000453234341 1123562786 /nfs/dbraw/zinc/56/27/86/1123562786.db2.gz KOGOMSRZOIULBC-HOTGVXAUSA-N 2 1 296.405 3.847 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CCCC(C)(F)F)C[C@H]1c1ccccc1 ZINC000453234341 1123562789 /nfs/dbraw/zinc/56/27/89/1123562789.db2.gz KOGOMSRZOIULBC-HOTGVXAUSA-N 2 1 296.405 3.847 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]CC2=CCCCC2)C[C@@H]1c1ccccc1 ZINC000453250870 1123563829 /nfs/dbraw/zinc/56/38/29/1123563829.db2.gz MXPDZPSULSTJKO-RTBURBONSA-N 2 1 284.447 3.912 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CC2=CCCCC2)C[C@@H]1c1ccccc1 ZINC000453250870 1123563833 /nfs/dbraw/zinc/56/38/33/1123563833.db2.gz MXPDZPSULSTJKO-RTBURBONSA-N 2 1 284.447 3.912 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000474816597 1123592982 /nfs/dbraw/zinc/59/29/82/1123592982.db2.gz LXECTYWJONGRCA-AYMQEEERSA-N 2 1 294.870 3.904 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000474816597 1123592984 /nfs/dbraw/zinc/59/29/84/1123592984.db2.gz LXECTYWJONGRCA-AYMQEEERSA-N 2 1 294.870 3.904 20 0 CHADMP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000474824346 1123595168 /nfs/dbraw/zinc/59/51/68/1123595168.db2.gz ZFSICHNTKAWOCQ-QXAKKESOSA-N 2 1 288.479 3.889 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)s1 ZINC000858106881 1123632130 /nfs/dbraw/zinc/63/21/30/1123632130.db2.gz CICXDQKOTPINGE-QWHCGFSZSA-N 2 1 266.454 3.580 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000858106881 1123632132 /nfs/dbraw/zinc/63/21/32/1123632132.db2.gz CICXDQKOTPINGE-QWHCGFSZSA-N 2 1 266.454 3.580 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000157891967 1129134796 /nfs/dbraw/zinc/13/47/96/1129134796.db2.gz NYDYZZBQWFFYFT-JKSUJKDBSA-N 2 1 296.499 3.577 20 0 CHADMP Cc1nccn1CC[N@H+]1CCC[C@H]1CCC1CCCC1 ZINC000346283881 1123676989 /nfs/dbraw/zinc/67/69/89/1123676989.db2.gz XPPGAFVKFCONHZ-KRWDZBQOSA-N 2 1 275.440 3.626 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1CCC1CCCC1 ZINC000346283881 1123676993 /nfs/dbraw/zinc/67/69/93/1123676993.db2.gz XPPGAFVKFCONHZ-KRWDZBQOSA-N 2 1 275.440 3.626 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1CCC1CCCC1 ZINC000346283881 1123676996 /nfs/dbraw/zinc/67/69/96/1123676996.db2.gz XPPGAFVKFCONHZ-KRWDZBQOSA-N 2 1 275.440 3.626 20 0 CHADMP Cc1nccn1CC[N@H+](C)[C@@H](c1ccccc1C)C(C)C ZINC000346269007 1123677545 /nfs/dbraw/zinc/67/75/45/1123677545.db2.gz ABPOZECDYYTTBH-GOSISDBHSA-N 2 1 285.435 3.829 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](c1ccccc1C)C(C)C ZINC000346269007 1123677547 /nfs/dbraw/zinc/67/75/47/1123677547.db2.gz ABPOZECDYYTTBH-GOSISDBHSA-N 2 1 285.435 3.829 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](c1ccccc1C)C(C)C ZINC000346269007 1123677548 /nfs/dbraw/zinc/67/75/48/1123677548.db2.gz ABPOZECDYYTTBH-GOSISDBHSA-N 2 1 285.435 3.829 20 0 CHADMP CC1(C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000346575510 1123697167 /nfs/dbraw/zinc/69/71/67/1123697167.db2.gz PFSZPGCFOWPWAN-HQSKLWIPSA-N 2 1 284.447 3.570 20 0 CHADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC000346639365 1123704060 /nfs/dbraw/zinc/70/40/60/1123704060.db2.gz KBJCDPUUMRFINV-DNVCBOLYSA-N 2 1 280.415 3.523 20 0 CHADMP C[C@@H]([C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000158179145 1129140898 /nfs/dbraw/zinc/14/08/98/1129140898.db2.gz KIUZLCKCUJHXTR-JYJNAYRXSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc2ccccc2s1 ZINC000275869376 1129141528 /nfs/dbraw/zinc/14/15/28/1129141528.db2.gz NZUPZBWZKACGMQ-CYBMUJFWSA-N 2 1 286.444 3.814 20 0 CHADMP CC(C)C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccs1 ZINC000158204771 1129141642 /nfs/dbraw/zinc/14/16/42/1129141642.db2.gz LGIOUCIZMVHHIP-LSDHHAIUSA-N 2 1 280.481 3.767 20 0 CHADMP CC(C)C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccs1 ZINC000158204771 1129141644 /nfs/dbraw/zinc/14/16/44/1129141644.db2.gz LGIOUCIZMVHHIP-LSDHHAIUSA-N 2 1 280.481 3.767 20 0 CHADMP Cc1ccc([C@@H]2CCCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000346982109 1123739101 /nfs/dbraw/zinc/73/91/01/1123739101.db2.gz MYSKPAHGRGJSRA-WMZOPIPTSA-N 2 1 272.436 3.522 20 0 CHADMP C[C@H]1CC([NH+]2CC3CC(C3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168059685 1123824260 /nfs/dbraw/zinc/82/42/60/1123824260.db2.gz VAOGRSKBRXBPBX-XYCLOBBJSA-N 2 1 298.474 3.770 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+][C@@H](C3CC3)C3CCC3)CC2)cc1 ZINC000324881744 1123829421 /nfs/dbraw/zinc/82/94/21/1123829421.db2.gz DQGFQWRESLWKMS-HXUWFJFHSA-N 2 1 298.474 3.819 20 0 CHADMP Cc1cc[nH+]c(NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000301641314 1123919642 /nfs/dbraw/zinc/91/96/42/1123919642.db2.gz NMQBFNREVNJRMI-UHFFFAOYSA-N 2 1 299.393 3.606 20 0 CHADMP C[N@@H+]1CC[C@@H](Nc2cc[nH+]cc2Cl)[C@@H]1c1ccccc1 ZINC000302834238 1123985881 /nfs/dbraw/zinc/98/58/81/1123985881.db2.gz SXTDCHVUZIYNEG-CVEARBPZSA-N 2 1 287.794 3.592 20 0 CHADMP C[N@H+]1CC[C@@H](Nc2cc[nH+]cc2Cl)[C@@H]1c1ccccc1 ZINC000302834238 1123985886 /nfs/dbraw/zinc/98/58/86/1123985886.db2.gz SXTDCHVUZIYNEG-CVEARBPZSA-N 2 1 287.794 3.592 20 0 CHADMP CC[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1F ZINC000339067628 1124035098 /nfs/dbraw/zinc/03/50/98/1124035098.db2.gz BNBKTUNXXTZHKM-ZQIUZPCESA-N 2 1 294.389 3.632 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1F ZINC000339067628 1124035103 /nfs/dbraw/zinc/03/51/03/1124035103.db2.gz BNBKTUNXXTZHKM-ZQIUZPCESA-N 2 1 294.389 3.632 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1F ZINC000339067628 1124035109 /nfs/dbraw/zinc/03/51/09/1124035109.db2.gz BNBKTUNXXTZHKM-ZQIUZPCESA-N 2 1 294.389 3.632 20 0 CHADMP CC[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1F ZINC000339067627 1124035537 /nfs/dbraw/zinc/03/55/37/1124035537.db2.gz BNBKTUNXXTZHKM-KEYYUXOJSA-N 2 1 294.389 3.632 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1F ZINC000339067627 1124035543 /nfs/dbraw/zinc/03/55/43/1124035543.db2.gz BNBKTUNXXTZHKM-KEYYUXOJSA-N 2 1 294.389 3.632 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1F ZINC000339067627 1124035549 /nfs/dbraw/zinc/03/55/49/1124035549.db2.gz BNBKTUNXXTZHKM-KEYYUXOJSA-N 2 1 294.389 3.632 20 0 CHADMP CCC(C)(C)[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000444609800 1124045436 /nfs/dbraw/zinc/04/54/36/1124045436.db2.gz OLCZBSFJSDEQBB-MRXNPFEDSA-N 2 1 266.473 3.763 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cc(C)ccn1 ZINC000866281196 1124047679 /nfs/dbraw/zinc/04/76/79/1124047679.db2.gz FWKJWIOEDWPDLP-IKGGRYGDSA-N 2 1 289.467 3.694 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCc3cccc4cccc2c43)CC1 ZINC000866313552 1124050708 /nfs/dbraw/zinc/05/07/08/1124050708.db2.gz CRPXZRZEOAZENV-LJQANCHMSA-N 2 1 292.426 3.679 20 0 CHADMP CC(C)[C@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccccn1 ZINC000866338550 1124053998 /nfs/dbraw/zinc/05/39/98/1124053998.db2.gz TVJLDGKIBINIIJ-WMZOPIPTSA-N 2 1 289.467 3.633 20 0 CHADMP CC(C)Cc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000508520843 1124076351 /nfs/dbraw/zinc/07/63/51/1124076351.db2.gz RHHBKDOYINQUSB-IBGZPJMESA-N 2 1 288.479 3.659 20 0 CHADMP CC(C)Cc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000508520843 1124076355 /nfs/dbraw/zinc/07/63/55/1124076355.db2.gz RHHBKDOYINQUSB-IBGZPJMESA-N 2 1 288.479 3.659 20 0 CHADMP CC(C)Cc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000508520843 1124076360 /nfs/dbraw/zinc/07/63/60/1124076360.db2.gz RHHBKDOYINQUSB-IBGZPJMESA-N 2 1 288.479 3.659 20 0 CHADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)CC[C@H]21 ZINC000866586008 1124085420 /nfs/dbraw/zinc/08/54/20/1124085420.db2.gz ZBZASONKHPLYNT-VBSBHUPXSA-N 2 1 298.474 3.523 20 0 CHADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)CC[C@H]21 ZINC000866586008 1124085423 /nfs/dbraw/zinc/08/54/23/1124085423.db2.gz ZBZASONKHPLYNT-VBSBHUPXSA-N 2 1 298.474 3.523 20 0 CHADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)CC[C@H]21 ZINC000866586008 1124085426 /nfs/dbraw/zinc/08/54/26/1124085426.db2.gz ZBZASONKHPLYNT-VBSBHUPXSA-N 2 1 298.474 3.523 20 0 CHADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2ccsc2Cl)C1 ZINC000866707782 1124094152 /nfs/dbraw/zinc/09/41/52/1124094152.db2.gz JVOKDPWQXSLQCS-AWEZNQCLSA-N 2 1 286.872 3.598 20 0 CHADMP CCc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000445817112 1124102720 /nfs/dbraw/zinc/10/27/20/1124102720.db2.gz BRHFZWRPULQDQK-MAUKXSAKSA-N 2 1 274.452 3.554 20 0 CHADMP CCc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000445817112 1124102722 /nfs/dbraw/zinc/10/27/22/1124102722.db2.gz BRHFZWRPULQDQK-MAUKXSAKSA-N 2 1 274.452 3.554 20 0 CHADMP CCc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000445817112 1124102723 /nfs/dbraw/zinc/10/27/23/1124102723.db2.gz BRHFZWRPULQDQK-MAUKXSAKSA-N 2 1 274.452 3.554 20 0 CHADMP Cc1ccc(C)c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000525274697 1124121243 /nfs/dbraw/zinc/12/12/43/1124121243.db2.gz WYHODGJJXSLQHR-GOSISDBHSA-N 2 1 286.463 3.611 20 0 CHADMP C[C@H](C[N@@H+](C)CC1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000525875292 1124477024 /nfs/dbraw/zinc/47/70/24/1124477024.db2.gz AXNZHBLANKTREY-CQSZACIVSA-N 2 1 294.870 3.717 20 0 CHADMP C[C@H](C[NH2+]C[C@@H](C)c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000447816494 1124527509 /nfs/dbraw/zinc/52/75/09/1124527509.db2.gz LEGSVFWNJJMUFB-BRWVUGGUSA-N 2 1 274.452 3.643 20 0 CHADMP C[C@H](C[NH2+]C[C@@H](C)c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000447816494 1124527515 /nfs/dbraw/zinc/52/75/15/1124527515.db2.gz LEGSVFWNJJMUFB-BRWVUGGUSA-N 2 1 274.452 3.643 20 0 CHADMP C[C@@H](C[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000447813455 1124530616 /nfs/dbraw/zinc/53/06/16/1124530616.db2.gz RZAUGNDPYLXLRS-IXDOHACOSA-N 2 1 274.452 3.500 20 0 CHADMP C[C@@H](C[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000447813455 1124530625 /nfs/dbraw/zinc/53/06/25/1124530625.db2.gz RZAUGNDPYLXLRS-IXDOHACOSA-N 2 1 274.452 3.500 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C1CC2(CCC2)C1 ZINC000448068360 1124559906 /nfs/dbraw/zinc/55/99/06/1124559906.db2.gz ANPKGUJQMCRCKZ-UHFFFAOYSA-N 2 1 286.463 3.949 20 0 CHADMP CC(C)CCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000527354873 1124572702 /nfs/dbraw/zinc/57/27/02/1124572702.db2.gz BXCVHYBFSCWJIB-CVEARBPZSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000448553742 1124584540 /nfs/dbraw/zinc/58/45/40/1124584540.db2.gz DBDNKYZXWUTTSH-MRXNPFEDSA-N 2 1 277.456 3.730 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000448553742 1124584550 /nfs/dbraw/zinc/58/45/50/1124584550.db2.gz DBDNKYZXWUTTSH-MRXNPFEDSA-N 2 1 277.456 3.730 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000449088411 1124644241 /nfs/dbraw/zinc/64/42/41/1124644241.db2.gz IDMTWOHMRSIOKY-AWEZNQCLSA-N 2 1 297.402 3.549 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CC(C)(C)C)C1 ZINC000449129832 1124652541 /nfs/dbraw/zinc/65/25/41/1124652541.db2.gz DRVBQLVPOUGJNB-LSDHHAIUSA-N 2 1 254.462 3.521 20 0 CHADMP CSCC1CCC([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000449131674 1124654012 /nfs/dbraw/zinc/65/40/12/1124654012.db2.gz OSRGFQTVSYQQNJ-AQFXKWCLSA-N 2 1 298.540 3.618 20 0 CHADMP c1cc2cccc(C[NH2+]C3CC([NH+]4CCCCC4)C3)c2o1 ZINC000449297802 1124685537 /nfs/dbraw/zinc/68/55/37/1124685537.db2.gz HMLFNUVSRDOVAG-UHFFFAOYSA-N 2 1 284.403 3.539 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)c(C)c2)CC1 ZINC000449372029 1124704403 /nfs/dbraw/zinc/70/44/03/1124704403.db2.gz BLDHTDDCYXRIFK-CQSZACIVSA-N 2 1 278.415 3.659 20 0 CHADMP CC(C)[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H]1C ZINC000449561270 1124802812 /nfs/dbraw/zinc/80/28/12/1124802812.db2.gz UCDBNUCVUCEQFT-MRMKYMKASA-N 2 1 278.484 3.662 20 0 CHADMP CC(C)=CCC[C@H](C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560217 1124803480 /nfs/dbraw/zinc/80/34/80/1124803480.db2.gz HSINYCYRWKIETL-OOKSDGMUSA-N 2 1 278.484 3.974 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449739677 1124857276 /nfs/dbraw/zinc/85/72/76/1124857276.db2.gz BVYXSAARJYVLKO-KNTRFNDTSA-N 2 1 298.474 3.533 20 0 CHADMP C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1csc(Cl)c1 ZINC000300420925 1124904241 /nfs/dbraw/zinc/90/42/41/1124904241.db2.gz AFOJJYGNBGRASZ-DRZSPHRISA-N 2 1 284.856 3.679 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1csc(Cl)c1 ZINC000300420925 1124904250 /nfs/dbraw/zinc/90/42/50/1124904250.db2.gz AFOJJYGNBGRASZ-DRZSPHRISA-N 2 1 284.856 3.679 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1csc(Cl)c1 ZINC000300420925 1124904256 /nfs/dbraw/zinc/90/42/56/1124904256.db2.gz AFOJJYGNBGRASZ-DRZSPHRISA-N 2 1 284.856 3.679 20 0 CHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CCCCC1(F)F ZINC000450439370 1125025985 /nfs/dbraw/zinc/02/59/85/1125025985.db2.gz MLWOKNKTYPXDHW-CABCVRRESA-N 2 1 288.426 3.618 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CCCc2cccc(Cl)c2)CC1(C)C ZINC000623403670 1125045622 /nfs/dbraw/zinc/04/56/22/1125045622.db2.gz CIQVYFAAWPRMGE-MRXNPFEDSA-N 2 1 294.870 3.735 20 0 CHADMP CCc1cccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000530335900 1125143750 /nfs/dbraw/zinc/14/37/50/1125143750.db2.gz KSSLFYSZACIBQM-UHFFFAOYSA-N 2 1 288.479 3.801 20 0 CHADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cc(Cl)cc(Cl)c1 ZINC000530513232 1125161721 /nfs/dbraw/zinc/16/17/21/1125161721.db2.gz UMCLOKHBAURKFF-JTQLQIEISA-N 2 1 298.217 3.620 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cc2)C[C@H]1C ZINC000531140109 1125196408 /nfs/dbraw/zinc/19/64/08/1125196408.db2.gz MIQQYZOMROLIGR-CZUORRHYSA-N 2 1 280.843 3.645 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cc2)C[C@H]1C ZINC000531140109 1125196411 /nfs/dbraw/zinc/19/64/11/1125196411.db2.gz MIQQYZOMROLIGR-CZUORRHYSA-N 2 1 280.843 3.645 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2)C[C@H]1C ZINC000531140109 1125196417 /nfs/dbraw/zinc/19/64/17/1125196417.db2.gz MIQQYZOMROLIGR-CZUORRHYSA-N 2 1 280.843 3.645 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2)C[C@H]1C ZINC000531140109 1125196419 /nfs/dbraw/zinc/19/64/19/1125196419.db2.gz MIQQYZOMROLIGR-CZUORRHYSA-N 2 1 280.843 3.645 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)cc(C)cc2C)C1 ZINC000531140240 1125197204 /nfs/dbraw/zinc/19/72/04/1125197204.db2.gz OEMYAYBAKRPEMU-SFHVURJKSA-N 2 1 288.479 3.776 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)cc(C)cc2C)C1 ZINC000531140240 1125197206 /nfs/dbraw/zinc/19/72/06/1125197206.db2.gz OEMYAYBAKRPEMU-SFHVURJKSA-N 2 1 288.479 3.776 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)cc(C)cc2C)C1 ZINC000531140240 1125197209 /nfs/dbraw/zinc/19/72/09/1125197209.db2.gz OEMYAYBAKRPEMU-SFHVURJKSA-N 2 1 288.479 3.776 20 0 CHADMP CC[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000532192818 1125238248 /nfs/dbraw/zinc/23/82/48/1125238248.db2.gz UHZJLRDGEPLJGZ-HOTGVXAUSA-N 2 1 274.452 3.949 20 0 CHADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)C(C)C ZINC000532213906 1125240541 /nfs/dbraw/zinc/24/05/41/1125240541.db2.gz PGBBWKADJTTYEW-KRWDZBQOSA-N 2 1 262.441 3.663 20 0 CHADMP Clc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1Cl ZINC000035054321 1125300823 /nfs/dbraw/zinc/30/08/23/1125300823.db2.gz ARVKHCNLZCVEOR-UHFFFAOYSA-N 2 1 299.245 3.710 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC1CC1 ZINC000398124842 1125335362 /nfs/dbraw/zinc/33/53/62/1125335362.db2.gz HXZMIBSSVMZHFT-APWZRJJASA-N 2 1 286.463 3.677 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC1CC1 ZINC000398124842 1125335366 /nfs/dbraw/zinc/33/53/66/1125335366.db2.gz HXZMIBSSVMZHFT-APWZRJJASA-N 2 1 286.463 3.677 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C=CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000883238128 1125382281 /nfs/dbraw/zinc/38/22/81/1125382281.db2.gz SSLDLINKZQQNCI-AOIWGVFYSA-N 2 1 284.447 3.595 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C=CCC2)CC[N@H+]1Cc1ccccc1 ZINC000883238128 1125382282 /nfs/dbraw/zinc/38/22/82/1125382282.db2.gz SSLDLINKZQQNCI-AOIWGVFYSA-N 2 1 284.447 3.595 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2cccc(F)c2)CC1(C)C ZINC000623424451 1125384940 /nfs/dbraw/zinc/38/49/40/1125384940.db2.gz SNBNCNQXLDPVQM-INIZCTEOSA-N 2 1 292.442 3.566 20 0 CHADMP CC(C)[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000532446374 1125387681 /nfs/dbraw/zinc/38/76/81/1125387681.db2.gz QBMYQMKGTVDTBU-WBVHZDCISA-N 2 1 266.473 3.523 20 0 CHADMP CC[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000532446405 1125387728 /nfs/dbraw/zinc/38/77/28/1125387728.db2.gz WSZYPMPIJQSSRW-HZPDHXFCSA-N 2 1 274.452 3.949 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000044533459 1125394081 /nfs/dbraw/zinc/39/40/81/1125394081.db2.gz HFUQTPLLILSZJE-WLYUNCDWSA-N 2 1 292.854 3.517 20 0 CHADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000230770223 1125395844 /nfs/dbraw/zinc/39/58/44/1125395844.db2.gz PDTVREQOONSWSO-BZSNNMDCSA-N 2 1 280.500 3.911 20 0 CHADMP CC1CCC([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001168204358 1125411465 /nfs/dbraw/zinc/41/14/65/1125411465.db2.gz NGDQOLOAQFSIRI-UYSNPLJNSA-N 2 1 264.457 3.562 20 0 CHADMP CC1CCC([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001168204358 1125411469 /nfs/dbraw/zinc/41/14/69/1125411469.db2.gz NGDQOLOAQFSIRI-UYSNPLJNSA-N 2 1 264.457 3.562 20 0 CHADMP CC[C@H](C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000348240017 1125426452 /nfs/dbraw/zinc/42/64/52/1125426452.db2.gz HDZSFNBPEVVVBB-NVXWUHKLSA-N 2 1 285.435 3.611 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000124039043 1125434692 /nfs/dbraw/zinc/43/46/92/1125434692.db2.gz LCUFQHSSGBMBRR-QFBILLFUSA-N 2 1 297.446 3.850 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000124039043 1125434694 /nfs/dbraw/zinc/43/46/94/1125434694.db2.gz LCUFQHSSGBMBRR-QFBILLFUSA-N 2 1 297.446 3.850 20 0 CHADMP Cc1nccn1CCCC[N@H+](C)Cc1cc2ccccc2o1 ZINC000124895790 1125443079 /nfs/dbraw/zinc/44/30/79/1125443079.db2.gz YCKAVWZKGPKMBC-UHFFFAOYSA-N 2 1 297.402 3.850 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1cc2ccccc2o1 ZINC000124895790 1125443081 /nfs/dbraw/zinc/44/30/81/1125443081.db2.gz YCKAVWZKGPKMBC-UHFFFAOYSA-N 2 1 297.402 3.850 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1cc2ccccc2o1 ZINC000124895790 1125443084 /nfs/dbraw/zinc/44/30/84/1125443084.db2.gz YCKAVWZKGPKMBC-UHFFFAOYSA-N 2 1 297.402 3.850 20 0 CHADMP C[C@@H](c1ccccc1)[N@@H+](CC[C@H]1CCC[NH+]1C)C1CC1 ZINC000348258265 1125447099 /nfs/dbraw/zinc/44/70/99/1125447099.db2.gz WHMHWSPGHDOYLR-DOTOQJQBSA-N 2 1 272.436 3.696 20 0 CHADMP C[C@@H](c1ccccc1)[NH+](CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000348258265 1125447102 /nfs/dbraw/zinc/44/71/02/1125447102.db2.gz WHMHWSPGHDOYLR-DOTOQJQBSA-N 2 1 272.436 3.696 20 0 CHADMP C[C@@H](c1ccccc1)[NH+](CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC000348258265 1125447105 /nfs/dbraw/zinc/44/71/05/1125447105.db2.gz WHMHWSPGHDOYLR-DOTOQJQBSA-N 2 1 272.436 3.696 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccccc1)C1CC1 ZINC000125438218 1125448907 /nfs/dbraw/zinc/44/89/07/1125448907.db2.gz LLJMNPCYVRSDIC-UHFFFAOYSA-N 2 1 283.419 3.636 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccccc1)C1CC1 ZINC000125438218 1125448909 /nfs/dbraw/zinc/44/89/09/1125448909.db2.gz LLJMNPCYVRSDIC-UHFFFAOYSA-N 2 1 283.419 3.636 20 0 CHADMP CCC[C@H](C)[C@@H]1CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000125600680 1125450154 /nfs/dbraw/zinc/45/01/54/1125450154.db2.gz OMIYJBOXESSLOJ-RDJZCZTQSA-N 2 1 277.456 3.872 20 0 CHADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000125600680 1125450156 /nfs/dbraw/zinc/45/01/56/1125450156.db2.gz OMIYJBOXESSLOJ-RDJZCZTQSA-N 2 1 277.456 3.872 20 0 CHADMP CC1CC(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000621771830 1129193309 /nfs/dbraw/zinc/19/33/09/1129193309.db2.gz OFSYVDFBVNCDLL-KTZCGAGPSA-N 2 1 298.474 3.818 20 0 CHADMP CCC[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000165021098 1129211745 /nfs/dbraw/zinc/21/17/45/1129211745.db2.gz KJBOCRDQPWUCBA-QRQLOZEOSA-N 2 1 288.479 3.860 20 0 CHADMP CCC[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000165021098 1129211749 /nfs/dbraw/zinc/21/17/49/1129211749.db2.gz KJBOCRDQPWUCBA-QRQLOZEOSA-N 2 1 288.479 3.860 20 0 CHADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000165294128 1129214452 /nfs/dbraw/zinc/21/44/52/1129214452.db2.gz WCJUMTPWANMLHI-SCTDSRPQSA-N 2 1 288.479 3.575 20 0 CHADMP Cc1scc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1C ZINC000637888900 1129234189 /nfs/dbraw/zinc/23/41/89/1129234189.db2.gz LIQSCOHHPMOWBH-UHFFFAOYSA-N 2 1 280.481 3.670 20 0 CHADMP Cc1scc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1C ZINC000637888900 1129234191 /nfs/dbraw/zinc/23/41/91/1129234191.db2.gz LIQSCOHHPMOWBH-UHFFFAOYSA-N 2 1 280.481 3.670 20 0 CHADMP CC1=C(C)C[C@H]([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000638358775 1129255423 /nfs/dbraw/zinc/25/54/23/1129255423.db2.gz KBMHEBZXDMHRKV-IXDOHACOSA-N 2 1 276.468 3.585 20 0 CHADMP C[N@@H+](C[C@@]1(C)C[C@@H]1c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000639162684 1129288783 /nfs/dbraw/zinc/28/87/83/1129288783.db2.gz PKVKLPBKXBOGJK-LMWLFIIJSA-N 2 1 298.474 3.737 20 0 CHADMP C[NH+](C[C@@]1(C)C[C@@H]1c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000639162684 1129288788 /nfs/dbraw/zinc/28/87/88/1129288788.db2.gz PKVKLPBKXBOGJK-LMWLFIIJSA-N 2 1 298.474 3.737 20 0 CHADMP C[NH+](C[C@@]1(C)C[C@@H]1c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000639162684 1129288792 /nfs/dbraw/zinc/28/87/92/1129288792.db2.gz PKVKLPBKXBOGJK-LMWLFIIJSA-N 2 1 298.474 3.737 20 0 CHADMP CC(C)CCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000037985091 1129311018 /nfs/dbraw/zinc/31/10/18/1129311018.db2.gz BDSREQCWENWFAM-UHFFFAOYSA-N 2 1 274.452 3.677 20 0 CHADMP CCCCC[C@@H](CC)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001258442403 1129361744 /nfs/dbraw/zinc/36/17/44/1129361744.db2.gz FCMLCKSGXZPZCW-MRXNPFEDSA-N 2 1 266.473 3.763 20 0 CHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccoc2)CC1 ZINC000093006852 1129415322 /nfs/dbraw/zinc/41/53/22/1129415322.db2.gz JKGUADSNQUEZCE-UHFFFAOYSA-N 2 1 298.430 3.624 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000643503043 1129442989 /nfs/dbraw/zinc/44/29/89/1129442989.db2.gz ZLBGTBFFZRWFRX-FVCCEPFGSA-N 2 1 298.883 3.625 20 0 CHADMP CC[C@@H](Cc1cccs1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000643511444 1129443652 /nfs/dbraw/zinc/44/36/52/1129443652.db2.gz PVYLKBHRKNATAK-HOCLYGCPSA-N 2 1 280.481 3.566 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cc(F)ccc1F ZINC000643546701 1129445484 /nfs/dbraw/zinc/44/54/84/1129445484.db2.gz SWCUYLSRQZCABH-BBRMVZONSA-N 2 1 294.389 3.680 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)c(F)c1 ZINC000643548873 1129446364 /nfs/dbraw/zinc/44/63/64/1129446364.db2.gz WMMYWCXBOVXHFP-WCQYABFASA-N 2 1 296.817 3.804 20 0 CHADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000644784150 1129477439 /nfs/dbraw/zinc/47/74/39/1129477439.db2.gz OUXPMPMNXOZNPH-JXFKEZNVSA-N 2 1 294.442 3.928 20 0 CHADMP C[C@@H](c1cccc2ccccc21)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000644784150 1129477441 /nfs/dbraw/zinc/47/74/41/1129477441.db2.gz OUXPMPMNXOZNPH-JXFKEZNVSA-N 2 1 294.442 3.928 20 0 CHADMP C[C@@H](c1cccc2ccccc21)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000644784150 1129477443 /nfs/dbraw/zinc/47/74/43/1129477443.db2.gz OUXPMPMNXOZNPH-JXFKEZNVSA-N 2 1 294.442 3.928 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1 ZINC000250520303 1129483192 /nfs/dbraw/zinc/48/31/92/1129483192.db2.gz SLSWYLUJORKMEP-BRSBDYLESA-N 2 1 278.484 3.665 20 0 CHADMP CCCCC[C@H](CCC)[N@H+]1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001258673833 1129487497 /nfs/dbraw/zinc/48/74/97/1129487497.db2.gz PKARPPQRNSHRPU-IXDOHACOSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000647175482 1129554440 /nfs/dbraw/zinc/55/44/40/1129554440.db2.gz RXRUMKVFKPAYGG-APWZRJJASA-N 2 1 298.474 3.819 20 0 CHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000647175482 1129554442 /nfs/dbraw/zinc/55/44/42/1129554442.db2.gz RXRUMKVFKPAYGG-APWZRJJASA-N 2 1 298.474 3.819 20 0 CHADMP CC(C)(C)c1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)s1 ZINC000647482695 1129578751 /nfs/dbraw/zinc/57/87/51/1129578751.db2.gz YTTAQVWLIYNKSL-UHFFFAOYSA-N 2 1 292.492 3.762 20 0 CHADMP CC[C@@H]1C[N@@H+](Cc2c(C)cc(Cl)cc2C)CC[C@@H]1[NH3+] ZINC000647498829 1129579850 /nfs/dbraw/zinc/57/98/50/1129579850.db2.gz RRUZVVMBHDPQMV-CJNGLKHVSA-N 2 1 280.843 3.516 20 0 CHADMP CC[C@@H]1C[N@@H+](C[C@@H](C)c2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000647497463 1129580522 /nfs/dbraw/zinc/58/05/22/1129580522.db2.gz IOLAGWCVQOYTGR-XJKCOSOUSA-N 2 1 280.843 3.503 20 0 CHADMP C[C@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647889297 1129586745 /nfs/dbraw/zinc/58/67/45/1129586745.db2.gz CLFWAYGDPDEHKV-SJORKVTESA-N 2 1 294.442 3.956 20 0 CHADMP CC[C@H]1C[N@@H+](CCCc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000647936280 1129587764 /nfs/dbraw/zinc/58/77/64/1129587764.db2.gz ATUGROIZTGPUIP-OXJNMPFZSA-N 2 1 296.458 3.832 20 0 CHADMP CC(C)C[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001169049711 1129691743 /nfs/dbraw/zinc/69/17/43/1129691743.db2.gz JMZPWCTYWSZJPF-OALUTQOASA-N 2 1 288.479 3.575 20 0 CHADMP CCCC[C@@H](CCC)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001258755073 1129691827 /nfs/dbraw/zinc/69/18/27/1129691827.db2.gz CQCBPSSZCSZRBN-PMPSAXMXSA-N 2 1 254.462 3.808 20 0 CHADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(C)cc1 ZINC001169099322 1129696339 /nfs/dbraw/zinc/69/63/39/1129696339.db2.gz PTUGUJFWLZWPPQ-FJIDUMEYSA-N 2 1 272.436 3.661 20 0 CHADMP CC(C)[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC001169101271 1129697376 /nfs/dbraw/zinc/69/73/76/1129697376.db2.gz QEOAHCNKLZYPHX-XMTFNYHQSA-N 2 1 290.426 3.738 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc3ccccc31)C2 ZINC001169077959 1129697469 /nfs/dbraw/zinc/69/74/69/1129697469.db2.gz CKDFJJVMCLZJRS-BCDXTJNWSA-N 2 1 280.415 3.555 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NCc1cccc(Cl)c1Cl)C2 ZINC001169089241 1129699024 /nfs/dbraw/zinc/69/90/24/1129699024.db2.gz ABLZPWZQAWKIGS-XYYAHUGASA-N 2 1 299.245 3.708 20 0 CHADMP C[N@@H+](Cc1cccc2ccccc21)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169140216 1129699834 /nfs/dbraw/zinc/69/98/34/1129699834.db2.gz JBEWJOISIFYIPK-REPLKXPHSA-N 2 1 294.442 3.897 20 0 CHADMP C[NH+](Cc1cccc2ccccc21)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169140216 1129699835 /nfs/dbraw/zinc/69/98/35/1129699835.db2.gz JBEWJOISIFYIPK-REPLKXPHSA-N 2 1 294.442 3.897 20 0 CHADMP C[NH+](Cc1cccc2ccccc21)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169140216 1129699837 /nfs/dbraw/zinc/69/98/37/1129699837.db2.gz JBEWJOISIFYIPK-REPLKXPHSA-N 2 1 294.442 3.897 20 0 CHADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(C)ccc1C ZINC001169118045 1129700118 /nfs/dbraw/zinc/70/01/18/1129700118.db2.gz CHDBQHLOVBOBGA-SFNKJDCFSA-N 2 1 286.463 3.969 20 0 CHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H]1c1ccccc1F)C2 ZINC001169141020 1129704050 /nfs/dbraw/zinc/70/40/50/1129704050.db2.gz NZYKPOOTHUDCHW-BASYENTBSA-N 2 1 288.410 3.588 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H]1c1ccccc1F)C2 ZINC001169141020 1129704053 /nfs/dbraw/zinc/70/40/53/1129704053.db2.gz NZYKPOOTHUDCHW-BASYENTBSA-N 2 1 288.410 3.588 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H]1c1ccccc1F)C2 ZINC001169141020 1129704056 /nfs/dbraw/zinc/70/40/56/1129704056.db2.gz NZYKPOOTHUDCHW-BASYENTBSA-N 2 1 288.410 3.588 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H]1c1ccccc1F)C2 ZINC001169141020 1129704059 /nfs/dbraw/zinc/70/40/59/1129704059.db2.gz NZYKPOOTHUDCHW-BASYENTBSA-N 2 1 288.410 3.588 20 0 CHADMP CC[C@H]1c2ccccc2CC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153055 1129705124 /nfs/dbraw/zinc/70/51/24/1129705124.db2.gz HHLYFQCMHBCFHU-FAJBIJEISA-N 2 1 284.447 3.621 20 0 CHADMP CC[C@H]1c2ccccc2CC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169153055 1129705128 /nfs/dbraw/zinc/70/51/28/1129705128.db2.gz HHLYFQCMHBCFHU-FAJBIJEISA-N 2 1 284.447 3.621 20 0 CHADMP CC[C@H]1c2ccccc2CC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169153055 1129705131 /nfs/dbraw/zinc/70/51/31/1129705131.db2.gz HHLYFQCMHBCFHU-FAJBIJEISA-N 2 1 284.447 3.621 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(C)(c3ccccc3)CC1)C2 ZINC001169154522 1129705261 /nfs/dbraw/zinc/70/52/61/1129705261.db2.gz RPZMDVUEGVEMDV-BWTSREIZSA-N 2 1 298.474 3.665 20 0 CHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](Cc1ccccc1)C1CCC1)C2 ZINC001169152663 1129705499 /nfs/dbraw/zinc/70/54/99/1129705499.db2.gz CJQFFQXCWPFSKV-BWTSREIZSA-N 2 1 284.447 3.666 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](Cc1ccccc1)C1CCC1)C2 ZINC001169152663 1129705500 /nfs/dbraw/zinc/70/55/00/1129705500.db2.gz CJQFFQXCWPFSKV-BWTSREIZSA-N 2 1 284.447 3.666 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+](Cc1ccccc1)C1CCC1)C2 ZINC001169152663 1129705502 /nfs/dbraw/zinc/70/55/02/1129705502.db2.gz CJQFFQXCWPFSKV-BWTSREIZSA-N 2 1 284.447 3.666 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](Cc1ccccc1)C1CCC1)C2 ZINC001169152663 1129705503 /nfs/dbraw/zinc/70/55/03/1129705503.db2.gz CJQFFQXCWPFSKV-BWTSREIZSA-N 2 1 284.447 3.666 20 0 CHADMP CCc1ccc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)[nH+]c1 ZINC001169149217 1129705520 /nfs/dbraw/zinc/70/55/20/1129705520.db2.gz YRFPZSNIOVCBCW-WMLDXEAASA-N 2 1 275.440 3.600 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](c2ccc(F)cc2)C2CCC2)CC1 ZINC001169230147 1129710381 /nfs/dbraw/zinc/71/03/81/1129710381.db2.gz UCZDXVXRHGKPBV-GOSISDBHSA-N 2 1 290.426 3.741 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](CC2CC2)c2cccc(F)c2)CC1 ZINC001169241201 1129712452 /nfs/dbraw/zinc/71/24/52/1129712452.db2.gz JQYOEBWTMCIQMC-GOSISDBHSA-N 2 1 290.426 3.741 20 0 CHADMP Cc1cc[nH+]c2cc(NC(C)(C)CC[NH+](C)C)ccc12 ZINC001169717585 1129750654 /nfs/dbraw/zinc/75/06/54/1129750654.db2.gz DODHOUDNWUQCDC-UHFFFAOYSA-N 2 1 271.408 3.685 20 0 CHADMP CC[C@H](C)C[C@H](CC)[N@@H+](C)CCC[NH+]1CCCC1 ZINC001258795927 1129767925 /nfs/dbraw/zinc/76/79/25/1129767925.db2.gz VFGXBFCCHMPSRF-HOTGVXAUSA-N 2 1 254.462 3.619 20 0 CHADMP CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[NH+](CC)CC)CC1 ZINC000086907810 1129826071 /nfs/dbraw/zinc/82/60/71/1129826071.db2.gz HULUHDHVUWENBG-XHSDSOJGSA-N 2 1 254.462 3.665 20 0 CHADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCCCC1 ZINC000381644179 1129843319 /nfs/dbraw/zinc/84/33/19/1129843319.db2.gz ZRPFPESOHRGIEP-DLBZAZTESA-N 2 1 264.457 3.563 20 0 CHADMP Cc1cccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000768261327 1129848464 /nfs/dbraw/zinc/84/84/64/1129848464.db2.gz BQOJMQNJBMSDBO-UHFFFAOYSA-N 2 1 282.431 3.689 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CC4CCC3CC4)C2)cc1 ZINC000381906266 1129854116 /nfs/dbraw/zinc/85/41/16/1129854116.db2.gz DZXPIJUQJPJMEM-RDVQEIBISA-N 2 1 298.474 3.677 20 0 CHADMP CCCCCC[C@H](CC)[NH2+]C[C@]1(C)CC[NH2+]CC1(F)F ZINC001246221876 1131410040 /nfs/dbraw/zinc/41/00/40/1131410040.db2.gz PAAMIRIIQNWPNF-GJZGRUSLSA-N 2 1 290.442 3.960 20 0 CHADMP [NH3+]CCCC[C@@H]([NH2+]Cc1ccco1)c1ccc(F)cc1F ZINC000902319573 1129999965 /nfs/dbraw/zinc/99/99/65/1129999965.db2.gz UINRRMNUNJZYAX-MRXNPFEDSA-N 2 1 294.345 3.518 20 0 CHADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903058264 1130107002 /nfs/dbraw/zinc/10/70/02/1130107002.db2.gz OAIRZQCCZFYXOL-DJXYKJKZSA-N 2 1 284.447 3.538 20 0 CHADMP Clc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903056612 1130107174 /nfs/dbraw/zinc/10/71/74/1130107174.db2.gz WMAAIDUZODIDPS-ZXFUBFMLSA-N 2 1 290.838 3.587 20 0 CHADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1CCC[C@@H]1C1CC1 ZINC000903184908 1130126228 /nfs/dbraw/zinc/12/62/28/1130126228.db2.gz GEJPBNADSAWFBM-XEHBXRSQSA-N 2 1 288.479 3.560 20 0 CHADMP FC1(F)CCC[C@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903216954 1130131008 /nfs/dbraw/zinc/13/10/08/1130131008.db2.gz LMKRNLUFUHAFQN-WYQXTGKHSA-N 2 1 298.421 3.559 20 0 CHADMP C[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903427063 1130175223 /nfs/dbraw/zinc/17/52/23/1130175223.db2.gz SCZLTDMDTBMIAF-PWSUYJOCSA-N 2 1 287.234 3.553 20 0 CHADMP CCN1CCC([N@@H+](C)[C@@H](C)CCCC(C)C)CC1 ZINC001170082169 1130175268 /nfs/dbraw/zinc/17/52/68/1130175268.db2.gz JHYMTOQKUCSDQC-HNNXBMFYSA-N 2 1 254.462 3.617 20 0 CHADMP CC[NH+]1CCC([N@H+](C)[C@@H](C)CCCC(C)C)CC1 ZINC001170082169 1130175269 /nfs/dbraw/zinc/17/52/69/1130175269.db2.gz JHYMTOQKUCSDQC-HNNXBMFYSA-N 2 1 254.462 3.617 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)[C@@H](C)CCCC(C)C)CC1 ZINC001170082169 1130175270 /nfs/dbraw/zinc/17/52/70/1130175270.db2.gz JHYMTOQKUCSDQC-HNNXBMFYSA-N 2 1 254.462 3.617 20 0 CHADMP CC1=CC[C@@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000788812829 1130210674 /nfs/dbraw/zinc/21/06/74/1130210674.db2.gz FWUIQOZLARTBBI-UXHICEINSA-N 2 1 298.474 3.987 20 0 CHADMP C[N@H+]1CCCC[C@@H]1c1ccc(-c2ccc3nccn3c2)nc1 ZINC001240217541 1130235354 /nfs/dbraw/zinc/23/53/54/1130235354.db2.gz QFGDHPVHSQRBSK-QGZVFWFLSA-N 2 1 292.386 3.553 20 0 CHADMP CCSc1ccccc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206036515 1130246192 /nfs/dbraw/zinc/24/61/92/1130246192.db2.gz KNLFLRHVSVOGQT-HUUCEWRRSA-N 2 1 292.492 3.605 20 0 CHADMP C[N@H+]1CCC[C@H]([NH2+]C2CCC(C(C)(C)C)CC2)CC1 ZINC001254500749 1130255950 /nfs/dbraw/zinc/25/59/50/1130255950.db2.gz KGNWZXMBMOORLJ-PCKAHOCUSA-N 2 1 266.473 3.665 20 0 CHADMP C[N@@H+]1CCC[C@H]([NH2+]C(C)(C)c2ccccc2Cl)CC1 ZINC001254507088 1130257701 /nfs/dbraw/zinc/25/77/01/1130257701.db2.gz FQRIDKILIBKLKS-ZDUSSCGKSA-N 2 1 280.843 3.649 20 0 CHADMP C[N@H+]1CCC[C@H]([NH2+]C(C)(C)c2ccccc2Cl)CC1 ZINC001254507088 1130257704 /nfs/dbraw/zinc/25/77/04/1130257704.db2.gz FQRIDKILIBKLKS-ZDUSSCGKSA-N 2 1 280.843 3.649 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001170120475 1130278127 /nfs/dbraw/zinc/27/81/27/1130278127.db2.gz HSZKNJVTTXTNFU-AEFFLSMTSA-N 2 1 286.463 3.819 20 0 CHADMP C(C[NH+]1CCC[C@@H](C2CC2)C1)C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000677056887 1130285704 /nfs/dbraw/zinc/28/57/04/1130285704.db2.gz KOTPVLVEXKUJFK-RTBURBONSA-N 2 1 290.495 3.621 20 0 CHADMP CC(C)CC1(C)CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000677161590 1130295216 /nfs/dbraw/zinc/29/52/16/1130295216.db2.gz OOTBIZKPQOHMKB-MRXNPFEDSA-N 2 1 266.473 3.619 20 0 CHADMP CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677238008 1130298028 /nfs/dbraw/zinc/29/80/28/1130298028.db2.gz URMJXYIWZRGOQB-NCOADZHNSA-N 2 1 264.457 3.562 20 0 CHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2nccc3ccccc32)CC1 ZINC000678131596 1130355507 /nfs/dbraw/zinc/35/55/07/1130355507.db2.gz IYAGRRAQOZTMIE-UHFFFAOYSA-N 2 1 297.446 3.539 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2nccc3ccccc32)CC1 ZINC000678131596 1130355513 /nfs/dbraw/zinc/35/55/13/1130355513.db2.gz IYAGRRAQOZTMIE-UHFFFAOYSA-N 2 1 297.446 3.539 20 0 CHADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001170151611 1130359085 /nfs/dbraw/zinc/35/90/85/1130359085.db2.gz GVHCDLLEFGFZKW-HOJAQTOUSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@@H]1CC[C@H]([NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001170151611 1130359090 /nfs/dbraw/zinc/35/90/90/1130359090.db2.gz GVHCDLLEFGFZKW-HOJAQTOUSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@@H]1CC[C@H]([NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001170151611 1130359094 /nfs/dbraw/zinc/35/90/94/1130359094.db2.gz GVHCDLLEFGFZKW-HOJAQTOUSA-N 2 1 298.474 3.773 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)c(C)n1 ZINC000678427859 1130416030 /nfs/dbraw/zinc/41/60/30/1130416030.db2.gz NMVFIDCMVKPNRI-MRXNPFEDSA-N 2 1 291.483 3.858 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1c2ccccc2CC[C@H]1C ZINC000678769588 1130451952 /nfs/dbraw/zinc/45/19/52/1130451952.db2.gz WPOVYRBWZYQUSQ-CLCXKQKWSA-N 2 1 297.446 3.741 20 0 CHADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCO[C@H](CC)C1 ZINC001170189504 1130456314 /nfs/dbraw/zinc/45/63/14/1130456314.db2.gz BWTPNPBEVLEWDZ-LEUOFYLZSA-N 2 1 296.499 3.705 20 0 CHADMP CC[NH+]1CCC([N@H+](C)[C@H](C)Cc2ccccc2Cl)CC1 ZINC001170281305 1130477707 /nfs/dbraw/zinc/47/77/07/1130477707.db2.gz CWXWANYIYZUBCR-CQSZACIVSA-N 2 1 294.870 3.687 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)[C@H](C)Cc2ccccc2Cl)CC1 ZINC001170281305 1130477712 /nfs/dbraw/zinc/47/77/12/1130477712.db2.gz CWXWANYIYZUBCR-CQSZACIVSA-N 2 1 294.870 3.687 20 0 CHADMP C[C@@H]([NH2+]C[C@@H](C)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679627755 1130546482 /nfs/dbraw/zinc/54/64/82/1130546482.db2.gz WGVDMRTVJRYRSJ-GPMSIDNRSA-N 2 1 286.463 3.533 20 0 CHADMP CCC(CC)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000679738934 1130552840 /nfs/dbraw/zinc/55/28/40/1130552840.db2.gz GVHQFAIWSVLKPB-GOEBONIOSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@H]([NH2+]CC1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000679740022 1130554976 /nfs/dbraw/zinc/55/49/76/1130554976.db2.gz UALZJBJEAYUSSD-DOTOQJQBSA-N 2 1 278.484 3.809 20 0 CHADMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001234991400 1130701661 /nfs/dbraw/zinc/70/16/61/1130701661.db2.gz FKBHSGIOLUAQDQ-IBGZPJMESA-N 2 1 286.463 3.560 20 0 CHADMP CC(C)=CCCC1=CC[C@H](C[N@H+]2CC3CC2(C[NH3+])C3)CC1 ZINC001235006123 1130701982 /nfs/dbraw/zinc/70/19/82/1130701982.db2.gz FDWKJCNABJUNIE-VIQWUECVSA-N 2 1 288.479 3.882 20 0 CHADMP CC(C)=CCCC1=CC[C@@H](C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001235004937 1130702644 /nfs/dbraw/zinc/70/26/44/1130702644.db2.gz DDFJKSTVJZDXPU-CEXWTWQISA-N 2 1 288.479 3.753 20 0 CHADMP CCCCCCc1csc(C[N@@H+]2CCC3(C[NH2+]C3)C2)c1 ZINC001235026751 1130703587 /nfs/dbraw/zinc/70/35/87/1130703587.db2.gz QMSWIHOESAHQBY-UHFFFAOYSA-N 2 1 292.492 3.666 20 0 CHADMP CCCCCCc1csc(C[N@H+]2CCC3(C[NH2+]C3)C2)c1 ZINC001235026751 1130703592 /nfs/dbraw/zinc/70/35/92/1130703592.db2.gz QMSWIHOESAHQBY-UHFFFAOYSA-N 2 1 292.492 3.666 20 0 CHADMP c1ccc(CCCC[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1 ZINC001235039717 1130704591 /nfs/dbraw/zinc/70/45/91/1130704591.db2.gz HLFQCZYOEOXMBA-IBGZPJMESA-N 2 1 286.463 3.617 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1Cl ZINC001235042403 1130705461 /nfs/dbraw/zinc/70/54/61/1130705461.db2.gz BPKTZBLYIKJUGQ-KRWDZBQOSA-N 2 1 292.854 3.757 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1Cl ZINC001235042403 1130705466 /nfs/dbraw/zinc/70/54/66/1130705466.db2.gz BPKTZBLYIKJUGQ-KRWDZBQOSA-N 2 1 292.854 3.757 20 0 CHADMP Fc1cccc2c(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cccc12 ZINC001235093937 1130709946 /nfs/dbraw/zinc/70/99/46/1130709946.db2.gz SKOVATIWISPZFQ-UHFFFAOYSA-N 2 1 298.405 3.554 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235091853 1130711089 /nfs/dbraw/zinc/71/10/89/1130711089.db2.gz DCDFNJCCIRIRTF-QGZVFWFLSA-N 2 1 278.484 3.835 20 0 CHADMP c1cc(-c2ccccc2)oc1C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235144790 1130715407 /nfs/dbraw/zinc/71/54/07/1130715407.db2.gz OZXJPGPYBFLUMU-UHFFFAOYSA-N 2 1 296.414 3.665 20 0 CHADMP Cc1cc(Cl)ccc1C[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001235188970 1130720657 /nfs/dbraw/zinc/72/06/57/1130720657.db2.gz CTRZVCFAGSZGII-UHFFFAOYSA-N 2 1 292.854 3.757 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235188970 1130720660 /nfs/dbraw/zinc/72/06/60/1130720660.db2.gz CTRZVCFAGSZGII-UHFFFAOYSA-N 2 1 292.854 3.757 20 0 CHADMP c1cc(C2CCCCC2)ccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235190900 1130721662 /nfs/dbraw/zinc/72/16/62/1130721662.db2.gz LPIKSMGVUOQMHI-UXHICEINSA-N 2 1 298.474 3.776 20 0 CHADMP Cc1cc(Cl)cc(C[N@@H+]2CCCCC23CC[NH2+]CC3)c1 ZINC001235190603 1130721801 /nfs/dbraw/zinc/72/18/01/1130721801.db2.gz FZHLPYWMGLETBP-UHFFFAOYSA-N 2 1 292.854 3.757 20 0 CHADMP Cc1cc(Cl)cc(C[N@H+]2CCCCC23CC[NH2+]CC3)c1 ZINC001235190603 1130721808 /nfs/dbraw/zinc/72/18/08/1130721808.db2.gz FZHLPYWMGLETBP-UHFFFAOYSA-N 2 1 292.854 3.757 20 0 CHADMP c1cc(C2CCCCC2)ccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235264967 1130729905 /nfs/dbraw/zinc/72/99/05/1130729905.db2.gz RZPBJXHTPKLIEM-PMACEKPBSA-N 2 1 298.474 3.918 20 0 CHADMP CC(C)(C)CC[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235349563 1130735789 /nfs/dbraw/zinc/73/57/89/1130735789.db2.gz QUGRKLWHOGYLJW-IEBWSBKVSA-N 2 1 286.463 3.502 20 0 CHADMP CC/C=C\CCC[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235380878 1130736864 /nfs/dbraw/zinc/73/68/64/1130736864.db2.gz WUZMBQIBENPBAU-QZPVUJMKSA-N 2 1 298.474 3.812 20 0 CHADMP CC/C=C\CCCCCC[N@@H+]1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001235396695 1130738327 /nfs/dbraw/zinc/73/83/27/1130738327.db2.gz KWZYQKWINMYWES-DSLCMKTCSA-N 2 1 296.474 3.912 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235433635 1130743059 /nfs/dbraw/zinc/74/30/59/1130743059.db2.gz MZIRMEFIIPWAHB-MRXNPFEDSA-N 2 1 266.473 3.690 20 0 CHADMP CC(C)c1cc(C[N@@H+](C)CC2CC[NH2+]CC2)ccc1Cl ZINC001235433322 1130743348 /nfs/dbraw/zinc/74/33/48/1130743348.db2.gz STRZKWMDFIYORC-UHFFFAOYSA-N 2 1 294.870 3.895 20 0 CHADMP Cc1ccccc1[C@H]1CCC[N@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC001235446275 1130745412 /nfs/dbraw/zinc/74/54/12/1130745412.db2.gz XNNXGZJPYGALAC-FUHWJXTLSA-N 2 1 272.436 3.664 20 0 CHADMP Cc1cc(C[N@@H+](C)CCC[NH3+])ccc1Oc1ccccc1 ZINC001235440105 1130745462 /nfs/dbraw/zinc/74/54/62/1130745462.db2.gz FVLVODJLKKHJKQ-UHFFFAOYSA-N 2 1 284.403 3.568 20 0 CHADMP Cc1cc(F)cc(C[N@@H+](C)CCC2CC[NH2+]CC2)c1Cl ZINC001235717996 1130772130 /nfs/dbraw/zinc/77/21/30/1130772130.db2.gz RLODLRTWWIQTSI-UHFFFAOYSA-N 2 1 298.833 3.609 20 0 CHADMP C[N@@H+](CCCc1ccc(Cl)cc1)CCC1CC[NH2+]CC1 ZINC001235715734 1130772355 /nfs/dbraw/zinc/77/23/55/1130772355.db2.gz UIVOKFVNYPILDH-UHFFFAOYSA-N 2 1 294.870 3.594 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]1c1cc(F)ccc1F ZINC001235712513 1130772367 /nfs/dbraw/zinc/77/23/67/1130772367.db2.gz BLAXWPZZXZMHBA-INIZCTEOSA-N 2 1 282.378 3.621 20 0 CHADMP CC[N@@H+](C[C@H]1C[C@H]1c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001235761197 1130777035 /nfs/dbraw/zinc/77/70/35/1130777035.db2.gz RCSMEKJGFXYCBG-PBHICJAKSA-N 2 1 292.854 3.517 20 0 CHADMP C[NH2+]C1CC[NH+](Cc2ccccc2-c2ccc(F)cc2)CC1 ZINC001235789345 1130779711 /nfs/dbraw/zinc/77/97/11/1130779711.db2.gz PPSQYKFIHLKWDW-UHFFFAOYSA-N 2 1 298.405 3.677 20 0 CHADMP C[NH2+]C1CC[NH+](Cc2cccc(-c3ccc(F)cc3)c2)CC1 ZINC001235789452 1130780341 /nfs/dbraw/zinc/78/03/41/1130780341.db2.gz QYVHEXJGLAPECQ-UHFFFAOYSA-N 2 1 298.405 3.677 20 0 CHADMP Clc1ccc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)s1 ZINC001235839137 1130784876 /nfs/dbraw/zinc/78/48/76/1130784876.db2.gz KTFOEWNFIFGXOO-CHWSQXEVSA-N 2 1 298.883 3.928 20 0 CHADMP CC1(C[N@H+]2CC[C@H](c3ccccc3Cl)C2)CC[NH2+]CC1 ZINC001235828207 1130785427 /nfs/dbraw/zinc/78/54/27/1130785427.db2.gz YNDMUPXDYHNONE-AWEZNQCLSA-N 2 1 292.854 3.519 20 0 CHADMP CC1(C[N@H+]2CCC[C@@H]2c2ccc(Cl)s2)CC[NH2+]CC1 ZINC001235839897 1130787682 /nfs/dbraw/zinc/78/76/82/1130787682.db2.gz ZPFGYQUZFBWHRV-GFCCVEGCSA-N 2 1 298.883 3.928 20 0 CHADMP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001235891995 1130795118 /nfs/dbraw/zinc/79/51/18/1130795118.db2.gz JIIHXDREZIVRJF-UONOGXRCSA-N 2 1 299.462 3.777 20 0 CHADMP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001235891995 1130795126 /nfs/dbraw/zinc/79/51/26/1130795126.db2.gz JIIHXDREZIVRJF-UONOGXRCSA-N 2 1 299.462 3.777 20 0 CHADMP Cc1c(C[N@H+]2C[C@@H]([NH3+])CC[C@@H]2C)cccc1-c1ccccc1 ZINC001235891745 1130795374 /nfs/dbraw/zinc/79/53/74/1130795374.db2.gz IQJMHKCVFVLDFS-KXBFYZLASA-N 2 1 294.442 3.974 20 0 CHADMP Cc1c(C[N@@H+]2C[C@@H]([NH3+])CC[C@@H]2C)cccc1-c1ccccc1 ZINC001235891745 1130795379 /nfs/dbraw/zinc/79/53/79/1130795379.db2.gz IQJMHKCVFVLDFS-KXBFYZLASA-N 2 1 294.442 3.974 20 0 CHADMP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccccc1-c1ccccc1 ZINC001235906860 1130803223 /nfs/dbraw/zinc/80/32/23/1130803223.db2.gz OZXZIDCWXSTSBK-CRAIPNDOSA-N 2 1 280.415 3.665 20 0 CHADMP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccccc1-c1ccccc1 ZINC001235906860 1130803225 /nfs/dbraw/zinc/80/32/25/1130803225.db2.gz OZXZIDCWXSTSBK-CRAIPNDOSA-N 2 1 280.415 3.665 20 0 CHADMP C[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000783221754 1130803394 /nfs/dbraw/zinc/80/33/94/1130803394.db2.gz HQGRMELHEZECKZ-GPMSIDNRSA-N 2 1 286.463 3.807 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000783224226 1130803429 /nfs/dbraw/zinc/80/34/29/1130803429.db2.gz PGXFBDWFBQIJRU-MDZRGWNJSA-N 2 1 286.463 3.949 20 0 CHADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1sc(Cl)c2ccccc21 ZINC001235925920 1130805923 /nfs/dbraw/zinc/80/59/23/1130805923.db2.gz RWWKZZPNLJREKR-NSHDSACASA-N 2 1 294.851 3.868 20 0 CHADMP Cc1c(C)c(C)c(C[N@H+]2CCC[C@H]2CC[NH3+])c(C)c1C ZINC001235925317 1130806657 /nfs/dbraw/zinc/80/66/57/1130806657.db2.gz HPAQNWBYVSLHRP-KRWDZBQOSA-N 2 1 274.452 3.542 20 0 CHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C)CC1 ZINC000783247673 1130806967 /nfs/dbraw/zinc/80/69/67/1130806967.db2.gz YUBJYFWRTBKTAQ-RVKKMQEKSA-N 2 1 272.436 3.600 20 0 CHADMP CC[C@@H]1CCCC[N@H+]1Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001235927092 1130807415 /nfs/dbraw/zinc/80/74/15/1130807415.db2.gz BJFOALQDHOTISQ-QGZVFWFLSA-N 2 1 297.446 3.509 20 0 CHADMP C[N@@H+](CCC1C[NH2+]C1)Cc1ccccc1Oc1ccccc1 ZINC001235968653 1130821311 /nfs/dbraw/zinc/82/13/11/1130821311.db2.gz KUXNQAWSMIXUOH-UHFFFAOYSA-N 2 1 296.414 3.520 20 0 CHADMP CCC[C@@H](C)C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235973798 1130821528 /nfs/dbraw/zinc/82/15/28/1130821528.db2.gz NGKWQMNOZXBIRF-MRXNPFEDSA-N 2 1 286.463 3.560 20 0 CHADMP CCCCCC[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235975123 1130822313 /nfs/dbraw/zinc/82/23/13/1130822313.db2.gz WOIOWROILRSRKC-UHFFFAOYSA-N 2 1 286.463 3.704 20 0 CHADMP C[N@@H+](CCCCC[NH3+])C1CCC(C(C)(C)C)CC1 ZINC001236007475 1130831239 /nfs/dbraw/zinc/83/12/39/1130831239.db2.gz CVBFUMIBUXJNEG-UHFFFAOYSA-N 2 1 254.462 3.652 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000814173049 1130832601 /nfs/dbraw/zinc/83/26/01/1130832601.db2.gz HFFCJWOIHJGZHJ-RNINOARNSA-N 2 1 298.474 3.818 20 0 CHADMP C[C@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001236049831 1130839025 /nfs/dbraw/zinc/83/90/25/1130839025.db2.gz QTOHLGXVSGFILB-KBXCAEBGSA-N 2 1 298.405 3.662 20 0 CHADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001236049831 1130839033 /nfs/dbraw/zinc/83/90/33/1130839033.db2.gz QTOHLGXVSGFILB-KBXCAEBGSA-N 2 1 298.405 3.662 20 0 CHADMP Cc1cccc(-c2ccc(C[N@@H+]3C[C@H](C)C[C@@H]([NH3+])C3)cc2)c1 ZINC001236052011 1130840707 /nfs/dbraw/zinc/84/07/07/1130840707.db2.gz ZHQUKRXOZHEUSY-OXQOHEQNSA-N 2 1 294.442 3.831 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3C[C@H](C)C[C@@H]([NH3+])C3)cc2)c1 ZINC001236052011 1130840712 /nfs/dbraw/zinc/84/07/12/1130840712.db2.gz ZHQUKRXOZHEUSY-OXQOHEQNSA-N 2 1 294.442 3.831 20 0 CHADMP C[C@H]1C[N@H+](Cc2cccc(-c3ccc(F)cc3)c2)CCC[NH2+]1 ZINC001236095357 1130860050 /nfs/dbraw/zinc/86/00/50/1130860050.db2.gz RTDABIJCYRIDIX-HNNXBMFYSA-N 2 1 298.405 3.677 20 0 CHADMP C[C@H]1C[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)CCC[NH2+]1 ZINC001236095357 1130860053 /nfs/dbraw/zinc/86/00/53/1130860053.db2.gz RTDABIJCYRIDIX-HNNXBMFYSA-N 2 1 298.405 3.677 20 0 CHADMP C[N@@H+](CCCC[NH3+])Cc1ccc(Cl)cc1C(F)(F)F ZINC001236141485 1130874475 /nfs/dbraw/zinc/87/44/75/1130874475.db2.gz HFVDGDCEIVVVQL-UHFFFAOYSA-N 2 1 294.748 3.530 20 0 CHADMP Cn1c2ccccc2c2cc(C[N@@H+](C)CCCC[NH3+])ccc21 ZINC001236141067 1130874874 /nfs/dbraw/zinc/87/48/74/1130874874.db2.gz FNFAVWZNUWSHBW-UHFFFAOYSA-N 2 1 295.430 3.502 20 0 CHADMP CC[N@H+](CC[NH3+])Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001236143635 1130876119 /nfs/dbraw/zinc/87/61/19/1130876119.db2.gz LKPJOFSIGKJFHZ-UHFFFAOYSA-N 2 1 293.414 3.616 20 0 CHADMP CC[N@@H+](CC[NH3+])Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001236143635 1130876126 /nfs/dbraw/zinc/87/61/26/1130876126.db2.gz LKPJOFSIGKJFHZ-UHFFFAOYSA-N 2 1 293.414 3.616 20 0 CHADMP C[C@@H](C[N@@H+](C)CCCC[NH3+])c1cccc2ccccc21 ZINC001236143315 1130876351 /nfs/dbraw/zinc/87/63/51/1130876351.db2.gz UXIZUVGQJZZNEB-HNNXBMFYSA-N 2 1 270.420 3.614 20 0 CHADMP CCC[N@@H+](Cc1ccc2ccn(CC)c2c1)C1CC[NH2+]CC1 ZINC001236182237 1130880603 /nfs/dbraw/zinc/88/06/03/1130880603.db2.gz HXDAELBGGPETCA-UHFFFAOYSA-N 2 1 299.462 3.625 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@@H+](C)CCCCC[NH3+] ZINC001236188702 1130881792 /nfs/dbraw/zinc/88/17/92/1130881792.db2.gz CQROLAJAZXPQRX-OAHLLOKOSA-N 2 1 270.420 3.962 20 0 CHADMP CC1(C[N@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)CC[NH2+]CC1 ZINC001236192733 1130884320 /nfs/dbraw/zinc/88/43/20/1130884320.db2.gz QDRMKHZEOZMDRU-GOSISDBHSA-N 2 1 297.446 3.695 20 0 CHADMP C[N@H+](Cc1c[nH]c2cccc(Cl)c12)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215322 1130889537 /nfs/dbraw/zinc/88/95/37/1130889537.db2.gz GVZXXGMGRZPGQZ-HIFRSBDPSA-N 2 1 291.826 3.523 20 0 CHADMP C[N@@H+](Cc1c[nH]c2cccc(Cl)c12)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215322 1130889542 /nfs/dbraw/zinc/88/95/42/1130889542.db2.gz GVZXXGMGRZPGQZ-HIFRSBDPSA-N 2 1 291.826 3.523 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2cccc(Cl)c2C)CC1 ZINC001236215303 1130891013 /nfs/dbraw/zinc/89/10/13/1130891013.db2.gz NPORPLUIPMIGCR-UHFFFAOYSA-N 2 1 280.843 3.611 20 0 CHADMP C[N@@H+](Cc1cc(Cl)cc(Cl)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236222026 1130895453 /nfs/dbraw/zinc/89/54/53/1130895453.db2.gz JXFLOYSYCAPLSH-HDJSIYSDSA-N 2 1 287.234 3.695 20 0 CHADMP Cc1cc(C[N@H+](C)C2(C)CC[NH2+]CC2)cc(C)c1Cl ZINC001236228342 1130896592 /nfs/dbraw/zinc/89/65/92/1130896592.db2.gz UJMFQLGOLAIIDC-UHFFFAOYSA-N 2 1 280.843 3.531 20 0 CHADMP C[N@@H+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C1(C)CC[NH2+]CC1 ZINC001236224020 1130897290 /nfs/dbraw/zinc/89/72/90/1130897290.db2.gz QHARYGCSLXVLCH-GOEBONIOSA-N 2 1 292.854 3.517 20 0 CHADMP CCc1cc(C[N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)ccc1Cl ZINC001236225074 1130897762 /nfs/dbraw/zinc/89/77/62/1130897762.db2.gz ZGMDMFODSFJQBA-SHTZXODSSA-N 2 1 280.843 3.604 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236226666 1130897809 /nfs/dbraw/zinc/89/78/09/1130897809.db2.gz QUWKBNLXOLJMRW-UHFFFAOYSA-N 2 1 288.460 3.784 20 0 CHADMP CC[N@@H+](Cc1ccc(C)cc1)Cc1ccc2c(c1)C[NH2+]C2 ZINC001236245254 1130903066 /nfs/dbraw/zinc/90/30/66/1130903066.db2.gz RUWPSTYHAGIHEI-UHFFFAOYSA-N 2 1 280.415 3.620 20 0 CHADMP CCC[C@H](C)C[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236286650 1130911201 /nfs/dbraw/zinc/91/12/01/1130911201.db2.gz NOTZGKKCHFINHF-INIZCTEOSA-N 2 1 274.452 3.677 20 0 CHADMP CC[N@@H+](CCCCC[NH3+])Cc1cccc(C(F)(F)F)c1 ZINC001236288122 1130911284 /nfs/dbraw/zinc/91/12/84/1130911284.db2.gz WGYYWHOQIGBXLL-UHFFFAOYSA-N 2 1 288.357 3.656 20 0 CHADMP CCCCC[N@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236366349 1130920205 /nfs/dbraw/zinc/92/02/05/1130920205.db2.gz AJPWGKHBJQMDFD-UHFFFAOYSA-N 2 1 278.415 3.570 20 0 CHADMP CCCCC[N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236366349 1130920208 /nfs/dbraw/zinc/92/02/08/1130920208.db2.gz AJPWGKHBJQMDFD-UHFFFAOYSA-N 2 1 278.415 3.570 20 0 CHADMP CCC(CC)C[N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236368031 1130921546 /nfs/dbraw/zinc/92/15/46/1130921546.db2.gz UFDMZTCCNZPFHO-UHFFFAOYSA-N 2 1 292.442 3.816 20 0 CHADMP COc1c(C)cc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1Cl ZINC000796725664 1130925715 /nfs/dbraw/zinc/92/57/15/1130925715.db2.gz VYOSQSTXUQBDKQ-OLZOCXBDSA-N 2 1 298.858 3.648 20 0 CHADMP COc1c(C)cc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1Cl ZINC000796725662 1130925784 /nfs/dbraw/zinc/92/57/84/1130925784.db2.gz VYOSQSTXUQBDKQ-CHWSQXEVSA-N 2 1 298.858 3.648 20 0 CHADMP CC[N@H+](Cc1ccc(Cl)c(C(C)C)c1)C[C@H]1CC[NH2+]C1 ZINC001236411051 1130930903 /nfs/dbraw/zinc/93/09/03/1130930903.db2.gz LVEKQTZTGRXBAK-HNNXBMFYSA-N 2 1 294.870 3.895 20 0 CHADMP CC[N@H+](Cc1ccc(-c2ccc(C)o2)cc1)C[C@H]1CC[NH2+]C1 ZINC001236408874 1130931478 /nfs/dbraw/zinc/93/14/78/1130931478.db2.gz PUHAYSSQQDQBLI-KRWDZBQOSA-N 2 1 298.430 3.686 20 0 CHADMP CC/C=C\CCCCCC[N@@H+](CC)C[C@H]1CC[NH2+]C1 ZINC001236408690 1130931595 /nfs/dbraw/zinc/93/15/95/1130931595.db2.gz QOLLOJRAANWFLK-OSJSJHBBSA-N 2 1 266.473 3.835 20 0 CHADMP Cc1ccc(-c2cccc(C[N@H+]3CCC[C@@H]([NH3+])[C@@H]3C)c2)cc1 ZINC001236419903 1130936584 /nfs/dbraw/zinc/93/65/84/1130936584.db2.gz MNWKKUYETBTWHL-OXJNMPFZSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1ccc(-c2cccc(C[N@@H+]3CCC[C@@H]([NH3+])[C@@H]3C)c2)cc1 ZINC001236419903 1130936591 /nfs/dbraw/zinc/93/65/91/1130936591.db2.gz MNWKKUYETBTWHL-OXJNMPFZSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1cccc(F)c1C[N@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236457152 1130946461 /nfs/dbraw/zinc/94/64/61/1130946461.db2.gz JZMWQAWCHGHPGE-UHFFFAOYSA-N 2 1 292.442 3.734 20 0 CHADMP Cc1cccc(F)c1C[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236457152 1130946466 /nfs/dbraw/zinc/94/64/66/1130946466.db2.gz JZMWQAWCHGHPGE-UHFFFAOYSA-N 2 1 292.442 3.734 20 0 CHADMP C[C@H](C[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1)c1ccccc1 ZINC001236454976 1130947146 /nfs/dbraw/zinc/94/71/46/1130947146.db2.gz PCCKFWMCNWCLKW-MRXNPFEDSA-N 2 1 288.479 3.890 20 0 CHADMP CC(C)[N@H+](Cc1ccc2cc(O)ccc2c1)[C@@H]1CCC[NH2+]C1 ZINC001236468480 1130949347 /nfs/dbraw/zinc/94/93/47/1130949347.db2.gz NZSLDGPNFGLOAO-GOSISDBHSA-N 2 1 298.430 3.508 20 0 CHADMP CC(C)[N@@H+](Cc1ccc2cc(O)ccc2c1)[C@@H]1CCC[NH2+]C1 ZINC001236468480 1130949352 /nfs/dbraw/zinc/94/93/52/1130949352.db2.gz NZSLDGPNFGLOAO-GOSISDBHSA-N 2 1 298.430 3.508 20 0 CHADMP CC(C)C[N@H+](Cc1coc2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC001236477750 1130951500 /nfs/dbraw/zinc/95/15/00/1130951500.db2.gz LHKXLWTXQGHXGQ-MRXNPFEDSA-N 2 1 286.419 3.643 20 0 CHADMP CC(C)C[N@@H+](Cc1coc2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC001236477750 1130951503 /nfs/dbraw/zinc/95/15/03/1130951503.db2.gz LHKXLWTXQGHXGQ-MRXNPFEDSA-N 2 1 286.419 3.643 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CC2)CC2(c3ccccc3)CC2)CC1 ZINC001236550950 1130973277 /nfs/dbraw/zinc/97/32/77/1130973277.db2.gz JJOASRCHNMJWAW-WGSAOQKQSA-N 2 1 298.474 3.700 20 0 CHADMP Cc1ccccc1C[N@H+](C[C@@H]1C[C@H]1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236556555 1130974396 /nfs/dbraw/zinc/97/43/96/1130974396.db2.gz WPADSGHFOFEPHB-QXCFHYIPSA-N 2 1 286.463 3.723 20 0 CHADMP Cc1cc(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)ccc1F ZINC001236553412 1130975074 /nfs/dbraw/zinc/97/50/74/1130975074.db2.gz YIIVZUJWCXKQON-QAQDUYKDSA-N 2 1 290.426 3.616 20 0 CHADMP CC[C@@H](C)C[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236566181 1130976384 /nfs/dbraw/zinc/97/63/84/1130976384.db2.gz DPMJSTUDHYQSBT-IIAWOOMASA-N 2 1 252.446 3.547 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@@H]2CC=CCC2)C2CCCC2)CC1 ZINC001236566091 1130976592 /nfs/dbraw/zinc/97/65/92/1130976592.db2.gz BKYKJCXKGVHPFS-JFIYKMOQSA-N 2 1 276.468 3.857 20 0 CHADMP Cc1c(F)cccc1C[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236572891 1130978952 /nfs/dbraw/zinc/97/89/52/1130978952.db2.gz WGQLSGAQMWGXGW-JCNLHEQBSA-N 2 1 290.426 3.759 20 0 CHADMP C[C@H](CC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1)CC(C)(C)C ZINC001236584548 1130980754 /nfs/dbraw/zinc/98/07/54/1130980754.db2.gz LURVNLRTXIGCKM-CVEARBPZSA-N 2 1 280.500 3.913 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3CC[C@](C)(C[NH3+])C3)cc2)c1 ZINC001236618150 1130985599 /nfs/dbraw/zinc/98/55/99/1130985599.db2.gz YYDOENLZWACYOJ-HXUWFJFHSA-N 2 1 294.442 3.833 20 0 CHADMP CC(C)c1ccc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)cc1 ZINC001236633408 1130986226 /nfs/dbraw/zinc/98/62/26/1130986226.db2.gz HACIPIAKCSWQHB-UHFFFAOYSA-N 2 1 286.463 3.917 20 0 CHADMP Cc1ccc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)cc1Cl ZINC001236637159 1130987185 /nfs/dbraw/zinc/98/71/85/1130987185.db2.gz NMCCONKZJFOKQY-UHFFFAOYSA-N 2 1 292.854 3.755 20 0 CHADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc2sccc21 ZINC001236678826 1130992748 /nfs/dbraw/zinc/99/27/48/1130992748.db2.gz HTFPHSGAPRGKRR-UHFFFAOYSA-N 2 1 288.460 3.819 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2C)C1 ZINC000815563419 1131000471 /nfs/dbraw/zinc/00/04/71/1131000471.db2.gz BPPDBWAVIVIHKS-HUUCEWRRSA-N 2 1 278.415 3.517 20 0 CHADMP Cc1cccc(C[N@H+](C[C@@H]2C[C@@H]2C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236725746 1131001358 /nfs/dbraw/zinc/00/13/58/1131001358.db2.gz DUQUAGKYYBCIOX-WNHJNPCNSA-N 2 1 286.463 3.723 20 0 CHADMP CCC(CC)[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782004 1131006440 /nfs/dbraw/zinc/00/64/40/1131006440.db2.gz FBSSLXBKUQFXMN-KOMQPUFPSA-N 2 1 252.446 3.547 20 0 CHADMP C[C@H](C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1cccc2ccccc21 ZINC001236820949 1131014532 /nfs/dbraw/zinc/01/45/32/1131014532.db2.gz SVXDHTYVBCTCHJ-NVRFMJDISA-N 2 1 294.442 3.612 20 0 CHADMP CCC[N@@H+](CC[C@H](C)CC(C)(C)C)C[C@H]1CC[NH2+]C1 ZINC001236830736 1131017465 /nfs/dbraw/zinc/01/74/65/1131017465.db2.gz OGMWXBSFAZPJLO-HOTGVXAUSA-N 2 1 268.489 3.770 20 0 CHADMP CCC[N@H+](Cc1c(C)ccc2ccccc21)C[C@H]1CC[NH2+]C1 ZINC001236834253 1131019049 /nfs/dbraw/zinc/01/90/49/1131019049.db2.gz GAWWTWUSEGIZQC-KRWDZBQOSA-N 2 1 296.458 3.970 20 0 CHADMP CCc1cccc(C)c1C[N@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237159946 1131062474 /nfs/dbraw/zinc/06/24/74/1131062474.db2.gz FYKRRWGWKOFADO-SFHVURJKSA-N 2 1 286.463 3.664 20 0 CHADMP CCc1cccc(C)c1C[N@@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237159946 1131062480 /nfs/dbraw/zinc/06/24/80/1131062480.db2.gz FYKRRWGWKOFADO-SFHVURJKSA-N 2 1 286.463 3.664 20 0 CHADMP c1cc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c2c(c1)CCCC2 ZINC001237158136 1131062640 /nfs/dbraw/zinc/06/26/40/1131062640.db2.gz XWKNEQNXVIVSMQ-LJQANCHMSA-N 2 1 298.474 3.672 20 0 CHADMP c1cc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c2c(c1)CCCC2 ZINC001237158136 1131062645 /nfs/dbraw/zinc/06/26/45/1131062645.db2.gz XWKNEQNXVIVSMQ-LJQANCHMSA-N 2 1 298.474 3.672 20 0 CHADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000798956806 1131064263 /nfs/dbraw/zinc/06/42/63/1131064263.db2.gz ASTHKTZMQCCNOE-OALUTQOASA-N 2 1 298.474 3.598 20 0 CHADMP Cc1cccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1C ZINC000798957491 1131064809 /nfs/dbraw/zinc/06/48/09/1131064809.db2.gz YCNNQLMQUBPHEF-UHFFFAOYSA-N 2 1 286.463 3.611 20 0 CHADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000798956807 1131065728 /nfs/dbraw/zinc/06/57/28/1131065728.db2.gz ASTHKTZMQCCNOE-RBUKOAKNSA-N 2 1 298.474 3.598 20 0 CHADMP C[C@H]1CC[C@H]([N@@H+](C)CCC[NH2+]C2CCCCC2)CC1 ZINC001237190151 1131068852 /nfs/dbraw/zinc/06/88/52/1131068852.db2.gz ZRDYLEWRRXYKFY-JCNLHEQBSA-N 2 1 266.473 3.809 20 0 CHADMP C[NH+]1CCC2(CCC[N@H+]([C@@H]3CCCc4ccccc43)C2)CC1 ZINC000799176978 1131074585 /nfs/dbraw/zinc/07/45/85/1131074585.db2.gz HFBOEPKMHKLKQT-LJQANCHMSA-N 2 1 298.474 3.872 20 0 CHADMP CCCCc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237405807 1131097045 /nfs/dbraw/zinc/09/70/45/1131097045.db2.gz SAJOHWHKXHZUAS-RBUKOAKNSA-N 2 1 286.463 3.603 20 0 CHADMP Fc1cccc2c(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)cccc12 ZINC001237409943 1131097912 /nfs/dbraw/zinc/09/79/12/1131097912.db2.gz CFNYNTVCCWFRBN-DNVCBOLYSA-N 2 1 298.405 3.553 20 0 CHADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc4c(F)cccc34)C2)C1 ZINC001237518124 1131109527 /nfs/dbraw/zinc/10/95/27/1131109527.db2.gz KFUCUCFASQPTPO-IBGZPJMESA-N 2 1 298.405 3.507 20 0 CHADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc4c(F)cccc34)C2)C1 ZINC001237518124 1131109530 /nfs/dbraw/zinc/10/95/30/1131109530.db2.gz KFUCUCFASQPTPO-IBGZPJMESA-N 2 1 298.405 3.507 20 0 CHADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc4c(F)cccc34)C2)C1 ZINC001237518124 1131109532 /nfs/dbraw/zinc/10/95/32/1131109532.db2.gz KFUCUCFASQPTPO-IBGZPJMESA-N 2 1 298.405 3.507 20 0 CHADMP CCN(CCn1ccnc1)Cc1cc(C)cc(C)c1Cl ZINC001237700461 1131129962 /nfs/dbraw/zinc/12/99/62/1131129962.db2.gz DFQFYQSKBCOSIU-UHFFFAOYSA-N 2 1 291.826 3.675 20 0 CHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1CCc2c1cccc2F ZINC001116195864 1131132826 /nfs/dbraw/zinc/13/28/26/1131132826.db2.gz QMWXUAPYRHUJPX-KDOFPFPSSA-N 2 1 290.426 3.619 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@H]1CCc2c1cccc2F ZINC001116195864 1131132830 /nfs/dbraw/zinc/13/28/30/1131132830.db2.gz QMWXUAPYRHUJPX-KDOFPFPSSA-N 2 1 290.426 3.619 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@H]1CCc2c1cccc2F ZINC001116195864 1131132834 /nfs/dbraw/zinc/13/28/34/1131132834.db2.gz QMWXUAPYRHUJPX-KDOFPFPSSA-N 2 1 290.426 3.619 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(C)c(C)cc2C)C1 ZINC001116289600 1131138856 /nfs/dbraw/zinc/13/88/56/1131138856.db2.gz XSDCRDUUEDDLFF-ROUUACIJSA-N 2 1 288.479 3.994 20 0 CHADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+](C)CCC3CC3)cc21 ZINC001237890634 1131148790 /nfs/dbraw/zinc/14/87/90/1131148790.db2.gz ZZJUTQWUUXFMIK-UHFFFAOYSA-N 2 1 284.447 3.920 20 0 CHADMP CCCCC1CC[NH+](Cc2cccc3c[nH+]cn32)CC1 ZINC001238109096 1131172796 /nfs/dbraw/zinc/17/27/96/1131172796.db2.gz YKUIQLGWZZDCDZ-UHFFFAOYSA-N 2 1 271.408 3.737 20 0 CHADMP c1ncn2c1cccc2C[N@H+]1CCC[C@H]1c1ccccc1 ZINC001238114889 1131173359 /nfs/dbraw/zinc/17/33/59/1131173359.db2.gz YNFXTRNSCZGWBH-SFHVURJKSA-N 2 1 277.371 3.671 20 0 CHADMP c1[nH+]cn2c1cccc2C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC001238114889 1131173363 /nfs/dbraw/zinc/17/33/63/1131173363.db2.gz YNFXTRNSCZGWBH-SFHVURJKSA-N 2 1 277.371 3.671 20 0 CHADMP c1[nH+]cn2c1cccc2C[N@H+]1CCC[C@H]1c1ccccc1 ZINC001238114889 1131173366 /nfs/dbraw/zinc/17/33/66/1131173366.db2.gz YNFXTRNSCZGWBH-SFHVURJKSA-N 2 1 277.371 3.671 20 0 CHADMP Cc1ccc([C@H]2CCC[N@H+]2Cc2cccc3cncn32)cc1 ZINC001238114872 1131173477 /nfs/dbraw/zinc/17/34/77/1131173477.db2.gz YIZXGLVLGYBELN-LJQANCHMSA-N 2 1 291.398 3.980 20 0 CHADMP Cc1ccc([C@H]2CCC[N@@H+]2Cc2cccc3c[nH+]cn32)cc1 ZINC001238114872 1131173479 /nfs/dbraw/zinc/17/34/79/1131173479.db2.gz YIZXGLVLGYBELN-LJQANCHMSA-N 2 1 291.398 3.980 20 0 CHADMP Cc1ccc([C@H]2CCC[N@H+]2Cc2cccc3c[nH+]cn32)cc1 ZINC001238114872 1131173481 /nfs/dbraw/zinc/17/34/81/1131173481.db2.gz YIZXGLVLGYBELN-LJQANCHMSA-N 2 1 291.398 3.980 20 0 CHADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1cc2cc(C)c(C)cc2o1 ZINC001118059055 1131208329 /nfs/dbraw/zinc/20/83/29/1131208329.db2.gz NCDAIVORNHIUAF-KGLIPLIRSA-N 2 1 274.408 3.698 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+](C)C1CCN(C)CC1 ZINC001138459552 1131508074 /nfs/dbraw/zinc/50/80/74/1131508074.db2.gz VZDGDEOBUOZTBU-UHFFFAOYSA-N 2 1 288.460 3.736 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001138459552 1131508077 /nfs/dbraw/zinc/50/80/77/1131508077.db2.gz VZDGDEOBUOZTBU-UHFFFAOYSA-N 2 1 288.460 3.736 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001138459552 1131508079 /nfs/dbraw/zinc/50/80/79/1131508079.db2.gz VZDGDEOBUOZTBU-UHFFFAOYSA-N 2 1 288.460 3.736 20 0 CHADMP CCCc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)s1 ZINC001138527394 1131516883 /nfs/dbraw/zinc/51/68/83/1131516883.db2.gz HBTUVVDUGYABMC-UHFFFAOYSA-N 2 1 292.492 3.618 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H](C)C[C@@H]2C)cc1 ZINC001138547226 1131518313 /nfs/dbraw/zinc/51/83/13/1131518313.db2.gz IEDAFOFSWKVKEN-CABCVRRESA-N 2 1 283.419 3.801 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C)cc1 ZINC001138547226 1131518316 /nfs/dbraw/zinc/51/83/16/1131518316.db2.gz IEDAFOFSWKVKEN-CABCVRRESA-N 2 1 283.419 3.801 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC001138548293 1131520194 /nfs/dbraw/zinc/52/01/94/1131520194.db2.gz DGPLMZHBWDZYSO-MJGOQNOKSA-N 2 1 295.430 3.945 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC001138548293 1131520196 /nfs/dbraw/zinc/52/01/96/1131520196.db2.gz DGPLMZHBWDZYSO-MJGOQNOKSA-N 2 1 295.430 3.945 20 0 CHADMP CCCCC[C@H](CC)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001246520821 1131546152 /nfs/dbraw/zinc/54/61/52/1131546152.db2.gz AKSQODUIOXCOMU-INIZCTEOSA-N 2 1 266.473 3.811 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246551784 1131609306 /nfs/dbraw/zinc/60/93/06/1131609306.db2.gz RDMLKPKBVNIGOQ-JYJNAYRXSA-N 2 1 272.452 3.600 20 0 CHADMP CCCCCC[C@H](CC)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246555486 1131616442 /nfs/dbraw/zinc/61/64/42/1131616442.db2.gz XQOLSSYTBQWQLE-HOTGVXAUSA-N 2 1 254.462 3.939 20 0 CHADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1[C@@H]1CCCC2(CCCCC2)C1 ZINC001246565081 1131631190 /nfs/dbraw/zinc/63/11/90/1131631190.db2.gz OORMQGCWPDPDOL-BRWVUGGUSA-N 2 1 278.484 3.939 20 0 CHADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(F)c4ccccc34)C2)C1 ZINC001139891502 1131647373 /nfs/dbraw/zinc/64/73/73/1131647373.db2.gz ATPMXHBLQRXMMP-IBGZPJMESA-N 2 1 298.405 3.507 20 0 CHADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(F)c4ccccc34)C2)C1 ZINC001139891502 1131647374 /nfs/dbraw/zinc/64/73/74/1131647374.db2.gz ATPMXHBLQRXMMP-IBGZPJMESA-N 2 1 298.405 3.507 20 0 CHADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(F)c4ccccc34)C2)C1 ZINC001139891502 1131647376 /nfs/dbraw/zinc/64/73/76/1131647376.db2.gz ATPMXHBLQRXMMP-IBGZPJMESA-N 2 1 298.405 3.507 20 0 CHADMP C[C@H]1CCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C[C@H]1C ZINC001246571906 1131650488 /nfs/dbraw/zinc/65/04/88/1131650488.db2.gz IVRQYMVPKGZHOP-JKSUJKDBSA-N 2 1 278.484 3.667 20 0 CHADMP Cc1nccn1-c1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC001140023722 1131657853 /nfs/dbraw/zinc/65/78/53/1131657853.db2.gz XCHQIUCJLBOEIH-AWEZNQCLSA-N 2 1 269.392 3.555 20 0 CHADMP C[C@@H]1CCC[N@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C[C@@H]1C ZINC001246577431 1131664928 /nfs/dbraw/zinc/66/49/28/1131664928.db2.gz WLTYRIYXCQNGGH-IKGGRYGDSA-N 2 1 278.484 3.809 20 0 CHADMP CC[C@H](C)C[C@H](CC)[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246586306 1131693740 /nfs/dbraw/zinc/69/37/40/1131693740.db2.gz SYWBUYFTXOJCRV-HRCADAONSA-N 2 1 254.462 3.652 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1-c1cccnc1 ZINC001140318612 1131695500 /nfs/dbraw/zinc/69/55/00/1131695500.db2.gz FLPCDSNPAOPSSP-UHFFFAOYSA-N 2 1 297.446 3.522 20 0 CHADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCCCCC[NH3+] ZINC000846219371 1131701535 /nfs/dbraw/zinc/70/15/35/1131701535.db2.gz PLLUACVVGIONBQ-ZBFHGGJFSA-N 2 1 278.415 3.523 20 0 CHADMP CC(C)[N@@H+](CCCCCC[NH3+])Cc1ccccc1F ZINC000846218387 1131701884 /nfs/dbraw/zinc/70/18/84/1131701884.db2.gz MUBRFLZAGDQSIZ-UHFFFAOYSA-N 2 1 266.404 3.555 20 0 CHADMP [NH3+]CCCCCC[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000846219603 1131702114 /nfs/dbraw/zinc/70/21/14/1131702114.db2.gz SYTVHTIXLNEDFI-UHFFFAOYSA-N 2 1 278.415 3.557 20 0 CHADMP Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CCCCCC[NH3+])C1 ZINC000846219642 1131702287 /nfs/dbraw/zinc/70/22/87/1131702287.db2.gz UMLDXXPUGSOTLH-IRXDYDNUSA-N 2 1 274.452 3.692 20 0 CHADMP CCCC1CCC([N@H+]2CCC[C@]23CCC[NH2+]C3)CC1 ZINC001246605700 1131714232 /nfs/dbraw/zinc/71/42/32/1131714232.db2.gz CJLOGFOYQOCRSW-JCYILVPMSA-N 2 1 264.457 3.563 20 0 CHADMP CC(C)C1CCC([NH+]2CCC3(CCCC[NH2+]3)CC2)CC1 ZINC001246614815 1131718009 /nfs/dbraw/zinc/71/80/09/1131718009.db2.gz UQPNTAZHIJEZIV-UHFFFAOYSA-N 2 1 278.484 3.809 20 0 CHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)CC(C)(C)C1 ZINC001246614158 1131718114 /nfs/dbraw/zinc/71/81/14/1131718114.db2.gz MNXWGLQKFDMUFJ-JFIYKMOQSA-N 2 1 278.484 3.809 20 0 CHADMP CC[C@H](C)C[C@H](CC)[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246628985 1131733702 /nfs/dbraw/zinc/73/37/02/1131733702.db2.gz DAAAHEZDVGHDIJ-ULQDDVLXSA-N 2 1 266.473 3.809 20 0 CHADMP CC[C@H](C)C[C@H](CC)[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246628985 1131733708 /nfs/dbraw/zinc/73/37/08/1131733708.db2.gz DAAAHEZDVGHDIJ-ULQDDVLXSA-N 2 1 266.473 3.809 20 0 CHADMP CCCCCC[C@H](CCC)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246630920 1131741582 /nfs/dbraw/zinc/74/15/82/1131741582.db2.gz MBFNUVUWOYFCPF-DLBZAZTESA-N 2 1 266.473 3.811 20 0 CHADMP CCCCCC1CCC([N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC001246665285 1131778527 /nfs/dbraw/zinc/77/85/27/1131778527.db2.gz ZBOITYBYGYIDPB-GPQLOAJWSA-N 2 1 278.484 3.809 20 0 CHADMP CCCCCC1CCC([N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC001246665285 1131778532 /nfs/dbraw/zinc/77/85/32/1131778532.db2.gz ZBOITYBYGYIDPB-GPQLOAJWSA-N 2 1 278.484 3.809 20 0 CHADMP C[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCCC2(CCCCC2)C1 ZINC001246682600 1131780677 /nfs/dbraw/zinc/78/06/77/1131780677.db2.gz WHHWUDXTWVIRLD-QGZVFWFLSA-N 2 1 278.484 3.811 20 0 CHADMP CCCCC(CCCC)[N@H+]1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001246698426 1131781089 /nfs/dbraw/zinc/78/10/89/1131781089.db2.gz XWNICBXKUHTFET-GOEBONIOSA-N 2 1 284.463 3.744 20 0 CHADMP CCCCCC[C@@H](CC)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001246839114 1131787608 /nfs/dbraw/zinc/78/76/08/1131787608.db2.gz BIFXJABYPFDAEN-JKSUJKDBSA-N 2 1 254.462 3.667 20 0 CHADMP CCCC[NH+]1CCC([N@H+](C)Cc2cc(F)ccc2C)CC1 ZINC001140592236 1131815341 /nfs/dbraw/zinc/81/53/41/1131815341.db2.gz BLCICNCXZAFQLL-UHFFFAOYSA-N 2 1 292.442 3.830 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(F)ccc2C)CC1 ZINC001140592236 1131815349 /nfs/dbraw/zinc/81/53/49/1131815349.db2.gz BLCICNCXZAFQLL-UHFFFAOYSA-N 2 1 292.442 3.830 20 0 CHADMP CCCC[C@H](CCC)[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001246977841 1131831985 /nfs/dbraw/zinc/83/19/85/1131831985.db2.gz RIEHHTRLQBIZFE-HNNXBMFYSA-N 2 1 266.473 3.952 20 0 CHADMP CCCC[C@H]1C[C@@H]([N@@H+](C)[C@H]2CC[C@H](C)CC2)CC[NH2+]1 ZINC001246995023 1131837588 /nfs/dbraw/zinc/83/75/88/1131837588.db2.gz FELLKIDXSUHQBZ-QAETUUGQSA-N 2 1 266.473 3.808 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001247002546 1131840292 /nfs/dbraw/zinc/84/02/92/1131840292.db2.gz NFBOLNGHMBKDER-JYJNAYRXSA-N 2 1 254.462 3.508 20 0 CHADMP CC(C)c1cccc(C[NH+]2CCC3(CCC[NH2+]3)CC2)c1 ZINC001228557448 1131909303 /nfs/dbraw/zinc/90/93/03/1131909303.db2.gz ZRENEFCKFZJEDZ-UHFFFAOYSA-N 2 1 272.436 3.528 20 0 CHADMP C[C@H]1CC[C@H]([N@@H+](C)Cc2c[nH]c3ccncc23)CC1 ZINC001140806222 1131928508 /nfs/dbraw/zinc/92/85/08/1131928508.db2.gz DTMINEJGXOPTBC-MQMHXKEQSA-N 2 1 257.381 3.573 20 0 CHADMP C[C@H]1CC[C@H]([N@H+](C)Cc2cnc3cc[nH]cc2-3)CC1 ZINC001140806222 1131928515 /nfs/dbraw/zinc/92/85/15/1131928515.db2.gz DTMINEJGXOPTBC-MQMHXKEQSA-N 2 1 257.381 3.573 20 0 CHADMP C[C@H]1CC[C@H]([N@H+](C)Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140806222 1131928522 /nfs/dbraw/zinc/92/85/22/1131928522.db2.gz DTMINEJGXOPTBC-MQMHXKEQSA-N 2 1 257.381 3.573 20 0 CHADMP C[C@H]1CC[C@H]([N@@H+](C)Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140806222 1131928527 /nfs/dbraw/zinc/92/85/27/1131928527.db2.gz DTMINEJGXOPTBC-MQMHXKEQSA-N 2 1 257.381 3.573 20 0 CHADMP c1[nH]c2ccncc2c1C[N@H+]1CCSc2ccccc2C1 ZINC001140805399 1131930665 /nfs/dbraw/zinc/93/06/65/1131930665.db2.gz DLDGLMBEFJASKN-UHFFFAOYSA-N 2 1 295.411 3.671 20 0 CHADMP c1nc2cc[nH]cc-2c1C[N@@H+]1CCSc2ccccc2C1 ZINC001140805399 1131930670 /nfs/dbraw/zinc/93/06/70/1131930670.db2.gz DLDGLMBEFJASKN-UHFFFAOYSA-N 2 1 295.411 3.671 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCSc2ccccc2C1 ZINC001140805399 1131930678 /nfs/dbraw/zinc/93/06/78/1131930678.db2.gz DLDGLMBEFJASKN-UHFFFAOYSA-N 2 1 295.411 3.671 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCSc2ccccc2C1 ZINC001140805399 1131930684 /nfs/dbraw/zinc/93/06/84/1131930684.db2.gz DLDGLMBEFJASKN-UHFFFAOYSA-N 2 1 295.411 3.671 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2ccc[nH]2)cc1 ZINC000773113134 1131948673 /nfs/dbraw/zinc/94/86/73/1131948673.db2.gz AGUJEHCQEISQRY-UONOGXRCSA-N 2 1 294.402 3.921 20 0 CHADMP CCc1ccccc1C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001141226490 1132049322 /nfs/dbraw/zinc/04/93/22/1132049322.db2.gz CRVQKQSQNJDISF-UHFFFAOYSA-N 2 1 288.479 3.801 20 0 CHADMP C[N@@H+](CCc1ccccc1)Cc1cccc(-n2ccnc2)c1 ZINC001141236379 1132055388 /nfs/dbraw/zinc/05/53/88/1132055388.db2.gz BDPMKEGMSJHKQA-UHFFFAOYSA-N 2 1 291.398 3.547 20 0 CHADMP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@H]3CCC[C@H]3C2)CC1(C)C ZINC001171632278 1132063917 /nfs/dbraw/zinc/06/39/17/1132063917.db2.gz YQAOHALLAVTBIW-CABCVRRESA-N 2 1 278.484 3.760 20 0 CHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@H]3CCC[C@H]3C2)CC1(C)C ZINC001171632278 1132063923 /nfs/dbraw/zinc/06/39/23/1132063923.db2.gz YQAOHALLAVTBIW-CABCVRRESA-N 2 1 278.484 3.760 20 0 CHADMP C[NH+]1C(C)(C)CC([N@H+]2CCC23CCCC3)CC1(C)C ZINC001171631740 1132064013 /nfs/dbraw/zinc/06/40/13/1132064013.db2.gz MUJWNPKMVPDPTL-UHFFFAOYSA-N 2 1 264.457 3.656 20 0 CHADMP C[C@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1cccc(O)c1 ZINC001171619567 1132065476 /nfs/dbraw/zinc/06/54/76/1132065476.db2.gz PLQHXLQUOBVWEG-ZDUSSCGKSA-N 2 1 290.451 3.694 20 0 CHADMP Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)cc1 ZINC001171660877 1132071328 /nfs/dbraw/zinc/07/13/28/1132071328.db2.gz RMNKFZPDTRYBIZ-NEWSRXKRSA-N 2 1 288.479 3.779 20 0 CHADMP CC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171966754 1132112594 /nfs/dbraw/zinc/11/25/94/1132112594.db2.gz WSWWJEAKUPIEGB-KRWDZBQOSA-N 2 1 286.463 3.819 20 0 CHADMP CC1(C)C[C@H]([NH2+]CCC2CC2)CC[N@H+]1Cc1ccccc1 ZINC001171972310 1132116854 /nfs/dbraw/zinc/11/68/54/1132116854.db2.gz PVPHFBHDLGUSCS-GOSISDBHSA-N 2 1 286.463 3.819 20 0 CHADMP CC1(C)C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171975365 1132118421 /nfs/dbraw/zinc/11/84/21/1132118421.db2.gz CMGCRUDBBZBVKB-KRWDZBQOSA-N 2 1 286.463 3.771 20 0 CHADMP CC1(C)C[C@H]([NH2+][C@@H]2CC23CCC3)CC[N@H+]1Cc1ccccc1 ZINC001171978659 1132119067 /nfs/dbraw/zinc/11/90/67/1132119067.db2.gz IDKZHKCZTNMTSU-QZTJIDSGSA-N 2 1 298.474 3.962 20 0 CHADMP Cc1cc2cc(C[NH3+])ccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098366 1132122722 /nfs/dbraw/zinc/12/27/22/1132122722.db2.gz CMCGJIIWWGQGPQ-PIIMJCKOSA-N 2 1 297.446 3.596 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)C2 ZINC001172099426 1132125199 /nfs/dbraw/zinc/12/51/99/1132125199.db2.gz LAYSTKYOQUMMGZ-AKHDSKFASA-N 2 1 284.447 3.743 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)C2 ZINC001172099426 1132125200 /nfs/dbraw/zinc/12/52/00/1132125200.db2.gz LAYSTKYOQUMMGZ-AKHDSKFASA-N 2 1 284.447 3.743 20 0 CHADMP CCC(CC)[N@H+](CC)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129464 1132127277 /nfs/dbraw/zinc/12/72/77/1132127277.db2.gz ZXRGCYUQSKVHMD-ZSHCYNCHSA-N 2 1 252.446 3.512 20 0 CHADMP CCC(CC)[N@@H+](CC)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129464 1132127280 /nfs/dbraw/zinc/12/72/80/1132127280.db2.gz ZXRGCYUQSKVHMD-ZSHCYNCHSA-N 2 1 252.446 3.512 20 0 CHADMP CCC(CC)[NH+](CC)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172129464 1132127282 /nfs/dbraw/zinc/12/72/82/1132127282.db2.gz ZXRGCYUQSKVHMD-ZSHCYNCHSA-N 2 1 252.446 3.512 20 0 CHADMP CCC(CC)[NH+](CC)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172129464 1132127284 /nfs/dbraw/zinc/12/72/84/1132127284.db2.gz ZXRGCYUQSKVHMD-ZSHCYNCHSA-N 2 1 252.446 3.512 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC(C)(C)c1ccccc1)C2 ZINC001172103586 1132129317 /nfs/dbraw/zinc/12/93/17/1132129317.db2.gz WCTUIKGOEYXCMY-BCDXTJNWSA-N 2 1 286.463 3.569 20 0 CHADMP C[C@H]([NH3+])c1cn([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c2ccccc12 ZINC001172108763 1132129916 /nfs/dbraw/zinc/12/99/16/1132129916.db2.gz DWVBSAWCHLDRIP-CAOSSQGBSA-N 2 1 297.446 3.849 20 0 CHADMP Cc1cccc(C(C)(C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172108958 1132130766 /nfs/dbraw/zinc/13/07/66/1132130766.db2.gz ASUMWYJIOXCUQL-BCDXTJNWSA-N 2 1 286.463 3.835 20 0 CHADMP Cc1cccc(C(C)(C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172108958 1132130768 /nfs/dbraw/zinc/13/07/68/1132130768.db2.gz ASUMWYJIOXCUQL-BCDXTJNWSA-N 2 1 286.463 3.835 20 0 CHADMP Cc1cccc(C(C)(C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172108959 1132130878 /nfs/dbraw/zinc/13/08/78/1132130878.db2.gz ASUMWYJIOXCUQL-NNZMDNLPSA-N 2 1 286.463 3.835 20 0 CHADMP Cc1cccc(C(C)(C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172108959 1132130882 /nfs/dbraw/zinc/13/08/82/1132130882.db2.gz ASUMWYJIOXCUQL-NNZMDNLPSA-N 2 1 286.463 3.835 20 0 CHADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1F ZINC001172104330 1132131012 /nfs/dbraw/zinc/13/10/12/1132131012.db2.gz DXKRDXCWDWTJQQ-CYUUQNCZSA-N 2 1 294.389 3.631 20 0 CHADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1F ZINC001172104330 1132131014 /nfs/dbraw/zinc/13/10/14/1132131014.db2.gz DXKRDXCWDWTJQQ-CYUUQNCZSA-N 2 1 294.389 3.631 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CC13CCC(F)(F)CC3)C2 ZINC001172113673 1132131714 /nfs/dbraw/zinc/13/17/14/1132131714.db2.gz IOMSHUFQVHFURZ-APIJFGDWSA-N 2 1 298.421 3.559 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CC13CCC(F)(F)CC3)C2 ZINC001172113673 1132131719 /nfs/dbraw/zinc/13/17/19/1132131719.db2.gz IOMSHUFQVHFURZ-APIJFGDWSA-N 2 1 298.421 3.559 20 0 CHADMP C[C@@H](CC1CCCCC1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172112933 1132131777 /nfs/dbraw/zinc/13/17/77/1132131777.db2.gz AWYZWVUKNYTGLT-OWLYRPNTSA-N 2 1 278.484 3.950 20 0 CHADMP C[C@@H](CC1CCCCC1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112933 1132131781 /nfs/dbraw/zinc/13/17/81/1132131781.db2.gz AWYZWVUKNYTGLT-OWLYRPNTSA-N 2 1 278.484 3.950 20 0 CHADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cc(F)cc(F)c1 ZINC001172111052 1132131939 /nfs/dbraw/zinc/13/19/39/1132131939.db2.gz PZOJZJHPPGNEEK-KLWIRTJPSA-N 2 1 294.389 3.631 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)C1CCCCC1)C2 ZINC001172113482 1132132058 /nfs/dbraw/zinc/13/20/58/1132132058.db2.gz HRMSUQJVRXTMCC-BJWYYQGGSA-N 2 1 278.484 3.950 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)C1CCCCC1)C2 ZINC001172113482 1132132064 /nfs/dbraw/zinc/13/20/64/1132132064.db2.gz HRMSUQJVRXTMCC-BJWYYQGGSA-N 2 1 278.484 3.950 20 0 CHADMP Cc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172115615 1132132680 /nfs/dbraw/zinc/13/26/80/1132132680.db2.gz TZSARIAFJBTWLV-QSPRXWTASA-N 2 1 290.426 3.800 20 0 CHADMP Cc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172115615 1132132683 /nfs/dbraw/zinc/13/26/83/1132132683.db2.gz TZSARIAFJBTWLV-QSPRXWTASA-N 2 1 290.426 3.800 20 0 CHADMP CCCCC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172117255 1132133178 /nfs/dbraw/zinc/13/31/78/1132133178.db2.gz IFMXGXFUOFLBSB-PIIMJCKOSA-N 2 1 278.484 3.904 20 0 CHADMP CCCCC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172117255 1132133182 /nfs/dbraw/zinc/13/31/82/1132133182.db2.gz IFMXGXFUOFLBSB-PIIMJCKOSA-N 2 1 278.484 3.904 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC(C)(C)CC1CCC1)C2 ZINC001172112072 1132134238 /nfs/dbraw/zinc/13/42/38/1132134238.db2.gz REPMHPPVTREGKF-BJWYYQGGSA-N 2 1 278.484 3.808 20 0 CHADMP CC[C@H](C)OCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001172341382 1132177796 /nfs/dbraw/zinc/17/77/96/1132177796.db2.gz ZFWHDEOXZYFMRF-YESZJQIVSA-N 2 1 296.499 3.577 20 0 CHADMP CC[C@H](C)OCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001172341382 1132177800 /nfs/dbraw/zinc/17/78/00/1132177800.db2.gz ZFWHDEOXZYFMRF-YESZJQIVSA-N 2 1 296.499 3.577 20 0 CHADMP CCOCC[C@@H](C)[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172415155 1132202202 /nfs/dbraw/zinc/20/22/02/1132202202.db2.gz WNHLAWGFLJEBIK-JFIYKMOQSA-N 2 1 296.499 3.706 20 0 CHADMP CC[C@H](CC(C)C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC001172390274 1132214975 /nfs/dbraw/zinc/21/49/75/1132214975.db2.gz SIGCFIWFZNPWEU-JKSUJKDBSA-N 2 1 254.462 3.665 20 0 CHADMP CC[C@@H](CC(C)C)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001172401021 1132223727 /nfs/dbraw/zinc/22/37/27/1132223727.db2.gz MVKWBZVLVOGSHN-CVEARBPZSA-N 2 1 254.462 3.652 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172566890 1132270705 /nfs/dbraw/zinc/27/07/05/1132270705.db2.gz ACRIRYKSINQSEZ-QZTJIDSGSA-N 2 1 274.452 3.596 20 0 CHADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172570833 1132271913 /nfs/dbraw/zinc/27/19/13/1132271913.db2.gz XTHOEDAACKOKHX-YSTOQKLRSA-N 2 1 298.474 3.596 20 0 CHADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172570833 1132271920 /nfs/dbraw/zinc/27/19/20/1132271920.db2.gz XTHOEDAACKOKHX-YSTOQKLRSA-N 2 1 298.474 3.596 20 0 CHADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172570833 1132271930 /nfs/dbraw/zinc/27/19/30/1132271930.db2.gz XTHOEDAACKOKHX-YSTOQKLRSA-N 2 1 298.474 3.596 20 0 CHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172545452 1132279131 /nfs/dbraw/zinc/27/91/31/1132279131.db2.gz BVIOYAJEEHPROY-UHOSZYNNSA-N 2 1 286.463 3.644 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C)c(Cl)c1 ZINC001231424737 1132292008 /nfs/dbraw/zinc/29/20/08/1132292008.db2.gz GHWCSAKIPQJSSM-UHFFFAOYSA-N 2 1 282.859 3.812 20 0 CHADMP CCCc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC001142367183 1132374947 /nfs/dbraw/zinc/37/49/47/1132374947.db2.gz GJJLMLHWALHXPH-UHFFFAOYSA-N 2 1 286.463 3.557 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](C)[C@H]2C)CC1 ZINC001173112140 1132393426 /nfs/dbraw/zinc/39/34/26/1132393426.db2.gz QZZZTGQEPPLMII-NUWOQIAWSA-N 2 1 266.473 3.760 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCc3ccsc3C2)CC1 ZINC001173112124 1132394993 /nfs/dbraw/zinc/39/49/93/1132394993.db2.gz QSMMUSCKNWVFFL-UHFFFAOYSA-N 2 1 292.492 3.759 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1CCC2(CCCCC2)CC1 ZINC001173116048 1132396424 /nfs/dbraw/zinc/39/64/24/1132396424.db2.gz NRPZGODSKKKTGE-QGZVFWFLSA-N 2 1 278.484 3.953 20 0 CHADMP CCCC[C@H](CC(C)C)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC001173254763 1132423784 /nfs/dbraw/zinc/42/37/84/1132423784.db2.gz AXVKZYKKPWVXOD-XHSDSOJGSA-N 2 1 254.462 3.521 20 0 CHADMP CCCC[C@H](CC(C)C)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001173254763 1132423787 /nfs/dbraw/zinc/42/37/87/1132423787.db2.gz AXVKZYKKPWVXOD-XHSDSOJGSA-N 2 1 254.462 3.521 20 0 CHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CC[C@@H]2c2ccccc2)c1 ZINC001232145714 1132427978 /nfs/dbraw/zinc/42/79/78/1132427978.db2.gz DZWGFTSETIUSBZ-LJQANCHMSA-N 2 1 298.405 3.834 20 0 CHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@@H]2c2ccccc2)c1 ZINC001232145714 1132427983 /nfs/dbraw/zinc/42/79/83/1132427983.db2.gz DZWGFTSETIUSBZ-LJQANCHMSA-N 2 1 298.405 3.834 20 0 CHADMP [NH3+]CCCCCCC[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000842472709 1132433633 /nfs/dbraw/zinc/43/36/33/1132433633.db2.gz IXBPOKCBVZMWIL-KRWDZBQOSA-N 2 1 292.492 3.686 20 0 CHADMP CC[C@@H]1CC[C@H]([N@H+](Cc2ccccc2)C[C@H](C)C[NH3+])C1 ZINC001173272853 1132437933 /nfs/dbraw/zinc/43/79/33/1132437933.db2.gz LNLCIFRWRUKATM-NUJGCVRESA-N 2 1 274.452 3.662 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1(C)CC1 ZINC000842672814 1132449380 /nfs/dbraw/zinc/44/93/80/1132449380.db2.gz CZECOIVSMLGIES-WMZOPIPTSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1(C)CC1 ZINC000842672814 1132449383 /nfs/dbraw/zinc/44/93/83/1132449383.db2.gz CZECOIVSMLGIES-WMZOPIPTSA-N 2 1 298.474 3.962 20 0 CHADMP CC[C@@H]1CC[C@H]([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)C1 ZINC001173281581 1132453675 /nfs/dbraw/zinc/45/36/75/1132453675.db2.gz TZSHTKADVBBTJQ-SQNIBIBYSA-N 2 1 278.484 3.906 20 0 CHADMP CC[C@H]1CC[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001173285081 1132455766 /nfs/dbraw/zinc/45/57/66/1132455766.db2.gz UUSHSNHEJZHRJO-FFGOWVMKSA-N 2 1 298.474 3.629 20 0 CHADMP CC[C@H]1CC[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001173285081 1132455771 /nfs/dbraw/zinc/45/57/71/1132455771.db2.gz UUSHSNHEJZHRJO-FFGOWVMKSA-N 2 1 298.474 3.629 20 0 CHADMP CC[C@H]1CC[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001173285081 1132455774 /nfs/dbraw/zinc/45/57/74/1132455774.db2.gz UUSHSNHEJZHRJO-FFGOWVMKSA-N 2 1 298.474 3.629 20 0 CHADMP CC(C)[N@@H+](CCC[NH3+])[C@H]1CCCC2(CCCCC2)C1 ZINC001173339841 1132466945 /nfs/dbraw/zinc/46/69/45/1132466945.db2.gz QPLSRBZQVIDYMZ-INIZCTEOSA-N 2 1 266.473 3.939 20 0 CHADMP CCCCC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000842922268 1132476399 /nfs/dbraw/zinc/47/63/99/1132476399.db2.gz VSDXSUZGCZUDAP-QRQLOZEOSA-N 2 1 288.479 3.890 20 0 CHADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1csc2ccccc12 ZINC000843053583 1132494715 /nfs/dbraw/zinc/49/47/15/1132494715.db2.gz CUIJMWDVYZFZFW-GOOCMWNKSA-N 2 1 286.444 3.746 20 0 CHADMP C[N@@H+]([C@@H]1CC[C@](C)(c2ccccc2)C1)C1CCC([NH3+])CC1 ZINC000843054915 1132495191 /nfs/dbraw/zinc/49/51/91/1132495191.db2.gz NIMILPUYGMIKRZ-GMNCBBECSA-N 2 1 286.463 3.699 20 0 CHADMP CC[N@H+](CCC[NH+](C)C)Cc1cc2ccc(Cl)cc2[nH]1 ZINC001232731035 1132510406 /nfs/dbraw/zinc/51/04/06/1132510406.db2.gz BTOYCJKAUXIPSY-UHFFFAOYSA-N 2 1 293.842 3.595 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc2ccc(Cl)cc2[nH]1 ZINC001232731035 1132510410 /nfs/dbraw/zinc/51/04/10/1132510410.db2.gz BTOYCJKAUXIPSY-UHFFFAOYSA-N 2 1 293.842 3.595 20 0 CHADMP C[NH+](C)Cc1cccc(CNc2[nH+]ccc3ccccc32)c1 ZINC001156044989 1132679247 /nfs/dbraw/zinc/67/92/47/1132679247.db2.gz XZSSMNWFJBVBBZ-UHFFFAOYSA-N 2 1 291.398 3.909 20 0 CHADMP Cc1[nH+]c2ccccn2c1Nc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001159203994 1132815209 /nfs/dbraw/zinc/81/52/09/1132815209.db2.gz PFAQOUMEDLZTQC-MRXNPFEDSA-N 2 1 292.386 3.811 20 0 CHADMP CCC[NH+](CCC)c1ccc(NC2=CC[NH2+]CC2)cc1 ZINC001159539819 1132861262 /nfs/dbraw/zinc/86/12/62/1132861262.db2.gz NIXYVEPLXUMXHQ-UHFFFAOYSA-N 2 1 273.424 3.602 20 0 CHADMP CC(C)(C[NH3+])c1ccc(Nc2cc[nH+]c3ccccc23)cc1 ZINC001159580676 1132866430 /nfs/dbraw/zinc/86/64/30/1132866430.db2.gz VDBMXPKSORFYSL-UHFFFAOYSA-N 2 1 291.398 3.637 20 0 CHADMP c1cc2cc(Nc3ccc4c(c3)C[NH2+]CC4)ccc2c[nH+]1 ZINC001159616326 1132875887 /nfs/dbraw/zinc/87/58/87/1132875887.db2.gz WMYAQLRXPXZKBM-UHFFFAOYSA-N 2 1 275.355 3.624 20 0 CHADMP Cc1cc2ccccc2c(Nc2cccc(CC[NH3+])c2)[nH+]1 ZINC001161076361 1132992963 /nfs/dbraw/zinc/99/29/63/1132992963.db2.gz AKPLGOKANUVMQI-UHFFFAOYSA-N 2 1 277.371 3.788 20 0 CHADMP Cc1[nH+]c2ccc(N[C@@H]3CCC[C@@H]([NH3+])C3)cc2n1C(C)C ZINC001162401198 1133074813 /nfs/dbraw/zinc/07/48/13/1133074813.db2.gz KALWVNFLEAIPJP-ZIAGYGMSSA-N 2 1 286.423 3.607 20 0 CHADMP Cc1c[nH+]c(NC[C@H]2CCC[NH2+]C[C@H]2C)c2ccccc12 ZINC001162454473 1133078735 /nfs/dbraw/zinc/07/87/35/1133078735.db2.gz OLPLWZAHLFSRAV-UKRRQHHQSA-N 2 1 283.419 3.591 20 0 CHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=[NH2+])C(C)(C)C)nc1 ZINC001162662157 1133101962 /nfs/dbraw/zinc/10/19/62/1133101962.db2.gz ORSHOYWQBHPPLN-CYBMUJFWSA-N 2 1 288.439 3.891 20 0 CHADMP C[N@H+]1CC[C@H](c2ccc(NC(=[NH2+])C(C)(C)C)cc2)C1 ZINC001162667207 1133102946 /nfs/dbraw/zinc/10/29/46/1133102946.db2.gz XQDPXLAMZMFYSS-ZDUSSCGKSA-N 2 1 259.397 3.541 20 0 CHADMP CC1(Nc2ccc3c(c2)[nH+]cn3[C@@H]2CCC[NH2+]CC2)CCC1 ZINC001164032496 1133194046 /nfs/dbraw/zinc/19/40/46/1133194046.db2.gz IUCJZRLXRRAFTM-OAHLLOKOSA-N 2 1 298.434 3.705 20 0 CHADMP C[N@H+](Cc1ccc(C(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC001204396640 1133233576 /nfs/dbraw/zinc/23/35/76/1133233576.db2.gz IZQZJUYJMDLBTF-UHFFFAOYSA-N 2 1 274.452 3.510 20 0 CHADMP C[N@@H+](Cc1ccc(C(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC001204396640 1133233583 /nfs/dbraw/zinc/23/35/83/1133233583.db2.gz IZQZJUYJMDLBTF-UHFFFAOYSA-N 2 1 274.452 3.510 20 0 CHADMP Fc1cccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001203786055 1133368627 /nfs/dbraw/zinc/36/86/27/1133368627.db2.gz IENXXVYFUXFKJY-GOSISDBHSA-N 2 1 290.426 3.666 20 0 CHADMP Fc1cccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001203786055 1133368629 /nfs/dbraw/zinc/36/86/29/1133368629.db2.gz IENXXVYFUXFKJY-GOSISDBHSA-N 2 1 290.426 3.666 20 0 CHADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc4ccccc43)C[C@@H]2C1 ZINC001203989072 1133394801 /nfs/dbraw/zinc/39/48/01/1133394801.db2.gz SAVLQXYVRLAOEG-KDURUIRLSA-N 2 1 294.442 3.613 20 0 CHADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccc4ccccc43)C[C@@H]2C1 ZINC001203989072 1133394802 /nfs/dbraw/zinc/39/48/02/1133394802.db2.gz SAVLQXYVRLAOEG-KDURUIRLSA-N 2 1 294.442 3.613 20 0 CHADMP CCCCC[N@@H+](C)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204265582 1133426945 /nfs/dbraw/zinc/42/69/45/1133426945.db2.gz IVIFZXZYGMHDJE-UHFFFAOYSA-N 2 1 292.467 3.639 20 0 CHADMP C[C@@H](CC1CCCCC1)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC001204441322 1133447407 /nfs/dbraw/zinc/44/74/07/1133447407.db2.gz JOTPOHBTOFLTEQ-WMZOPIPTSA-N 2 1 280.500 3.867 20 0 CHADMP C[C@@H](CC1CCCCC1)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC001204441322 1133447409 /nfs/dbraw/zinc/44/74/09/1133447409.db2.gz JOTPOHBTOFLTEQ-WMZOPIPTSA-N 2 1 280.500 3.867 20 0 CHADMP C[C@@H](CC1CCCCC1)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC001204441322 1133447412 /nfs/dbraw/zinc/44/74/12/1133447412.db2.gz JOTPOHBTOFLTEQ-WMZOPIPTSA-N 2 1 280.500 3.867 20 0 CHADMP CCC[N@@H+](CCC[NH2+]C1CCCCC1)[C@@H](C)CC ZINC001204630220 1133469056 /nfs/dbraw/zinc/46/90/56/1133469056.db2.gz OHCCBEUOVRZEEG-HNNXBMFYSA-N 2 1 254.462 3.809 20 0 CHADMP C[NH+]1CCC(C[N@@H+](Cc2ccccc2F)C2CCC2)CC1 ZINC001204632081 1133470292 /nfs/dbraw/zinc/47/02/92/1133470292.db2.gz GJVJNYZBJJOLLD-UHFFFAOYSA-N 2 1 290.426 3.522 20 0 CHADMP Cc1ccc(Cl)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204743002 1133480880 /nfs/dbraw/zinc/48/08/80/1133480880.db2.gz WRDKDFILLAWHSW-UHFFFAOYSA-N 2 1 292.854 3.614 20 0 CHADMP C[C@@]1([NH3+])CC[N@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC001204782257 1133485575 /nfs/dbraw/zinc/48/55/75/1133485575.db2.gz BJCKNUSESSBTRP-GOSISDBHSA-N 2 1 280.371 3.509 20 0 CHADMP C[C@@]1([NH3+])CC[N@@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC001204782257 1133485578 /nfs/dbraw/zinc/48/55/78/1133485578.db2.gz BJCKNUSESSBTRP-GOSISDBHSA-N 2 1 280.371 3.509 20 0 CHADMP Cc1cccc([C@@H]2CCC[N@H+]2CC2CC3(C2)CC[NH2+]CC3)c1 ZINC001204847551 1133491179 /nfs/dbraw/zinc/49/11/79/1133491179.db2.gz CHLDYJQNOZTEJS-IBGZPJMESA-N 2 1 298.474 3.912 20 0 CHADMP Cc1c(C[N@@H+]2CCCC[C@@H]2C[NH3+])cccc1-c1ccccc1 ZINC001204933536 1133502606 /nfs/dbraw/zinc/50/26/06/1133502606.db2.gz VOMNBHPHAFHODO-LJQANCHMSA-N 2 1 294.442 3.975 20 0 CHADMP Cc1c(C[N@H+]2CCCC[C@@H]2C[NH3+])cccc1-c1ccccc1 ZINC001204933536 1133502611 /nfs/dbraw/zinc/50/26/11/1133502611.db2.gz VOMNBHPHAFHODO-LJQANCHMSA-N 2 1 294.442 3.975 20 0 CHADMP C[C@@]1([NH3+])CCC[N@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC001204937744 1133503767 /nfs/dbraw/zinc/50/37/67/1133503767.db2.gz GDLXRJYYIQXFCC-LJQANCHMSA-N 2 1 294.398 3.899 20 0 CHADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC001204937744 1133503770 /nfs/dbraw/zinc/50/37/70/1133503770.db2.gz GDLXRJYYIQXFCC-LJQANCHMSA-N 2 1 294.398 3.899 20 0 CHADMP Cc1c(C[N@@H+]2CCC[C@@](C)([NH3+])C2)cccc1-c1ccccc1 ZINC001204946266 1133505905 /nfs/dbraw/zinc/50/59/05/1133505905.db2.gz MQJBBLTZSDUPML-HXUWFJFHSA-N 2 1 294.442 3.975 20 0 CHADMP Cc1c(C[N@H+]2CCC[C@@](C)([NH3+])C2)cccc1-c1ccccc1 ZINC001204946266 1133505907 /nfs/dbraw/zinc/50/59/07/1133505907.db2.gz MQJBBLTZSDUPML-HXUWFJFHSA-N 2 1 294.442 3.975 20 0 CHADMP C[C@H](C[N@H+]1CCC[C@@H]([NH3+])CC1)c1cccc2ccccc21 ZINC001205094565 1133528648 /nfs/dbraw/zinc/52/86/48/1133528648.db2.gz MZAINSWHSNCAGU-NVXWUHKLSA-N 2 1 282.431 3.757 20 0 CHADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC001205101274 1133529931 /nfs/dbraw/zinc/52/99/31/1133529931.db2.gz CSPLLFWVSAXESM-HNNXBMFYSA-N 2 1 286.444 3.728 20 0 CHADMP Cc1cccc(-c2ccc(C[N@@H+]3C[C@H](C)[C@H](C[NH3+])C3)cc2)c1 ZINC001205146083 1133536270 /nfs/dbraw/zinc/53/62/70/1133536270.db2.gz MVVCDODGUYJTDU-OXJNMPFZSA-N 2 1 294.442 3.689 20 0 CHADMP CCCCCCc1csc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205156170 1133538320 /nfs/dbraw/zinc/53/83/20/1133538320.db2.gz PQQSWGBHRKIMCS-GOEBONIOSA-N 2 1 294.508 3.898 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccc(F)c(-c3ccccc3)c2)C[C@H]1C[NH3+] ZINC001205155973 1133538655 /nfs/dbraw/zinc/53/86/55/1133538655.db2.gz KGRBHNFHBDTWAM-WMLDXEAASA-N 2 1 298.405 3.519 20 0 CHADMP COc1ccc2cc(C[N@H+]3CCC[C@](C)([NH3+])CC3)ccc2c1 ZINC001205264253 1133551220 /nfs/dbraw/zinc/55/12/20/1133551220.db2.gz IHJNUWMHIVDJQK-IBGZPJMESA-N 2 1 298.430 3.552 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c2ccccc12 ZINC001205304331 1133556538 /nfs/dbraw/zinc/55/65/38/1133556538.db2.gz NUWMCCKRMYELIE-YOEHRIQHSA-N 2 1 282.431 3.565 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205305518 1133557770 /nfs/dbraw/zinc/55/77/70/1133557770.db2.gz SBEDSRHZOUYPBR-NVXWUHKLSA-N 2 1 288.479 3.791 20 0 CHADMP Cc1ccc(-c2cccc(C[N@H+]3CC[NH2+]CC[C@H]3C)c2)cc1 ZINC001205331495 1133562551 /nfs/dbraw/zinc/56/25/51/1133562551.db2.gz GZEYPGIFMJDNAH-QGZVFWFLSA-N 2 1 294.442 3.846 20 0 CHADMP Cc1ccc(-c2cccc(C[N@@H+]3CC[NH2+]CC[C@H]3C)c2)cc1 ZINC001205331495 1133562555 /nfs/dbraw/zinc/56/25/55/1133562555.db2.gz GZEYPGIFMJDNAH-QGZVFWFLSA-N 2 1 294.442 3.846 20 0 CHADMP CC1(C)CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC001205554195 1133586930 /nfs/dbraw/zinc/58/69/30/1133586930.db2.gz BKMCXXPNXSFSQM-DOTOQJQBSA-N 2 1 278.484 3.952 20 0 CHADMP C[C@]1(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)CC[N@@H+](Cc2ccccc2)C1 ZINC001205583713 1133590981 /nfs/dbraw/zinc/59/09/81/1133590981.db2.gz SNROMTCXEBCMOT-VNTMZGSJSA-N 2 1 298.474 3.677 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205591983 1133592191 /nfs/dbraw/zinc/59/21/91/1133592191.db2.gz PHMCVGIFLUACMF-MRXNPFEDSA-N 2 1 298.833 3.610 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)CC[C@@H]1C[NH3+] ZINC001205639173 1133597402 /nfs/dbraw/zinc/59/74/02/1133597402.db2.gz WYKNWJHCXXXZMY-NVXWUHKLSA-N 2 1 298.430 3.753 20 0 CHADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc(C)c1Cl ZINC001205652626 1133599992 /nfs/dbraw/zinc/59/99/92/1133599992.db2.gz QEEDVYOQOCSJQJ-WBMJQRKESA-N 2 1 294.870 3.764 20 0 CHADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001205828947 1133620145 /nfs/dbraw/zinc/62/01/45/1133620145.db2.gz NLVGKBWPLSSXPW-APWZRJJASA-N 2 1 294.442 3.913 20 0 CHADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001205828947 1133620147 /nfs/dbraw/zinc/62/01/47/1133620147.db2.gz NLVGKBWPLSSXPW-APWZRJJASA-N 2 1 294.442 3.913 20 0 CHADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)c2ccccc12 ZINC001205903010 1133628631 /nfs/dbraw/zinc/62/86/31/1133628631.db2.gz MSGAWBXZRIQQNL-UONOGXRCSA-N 2 1 286.394 3.538 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205917427 1133630258 /nfs/dbraw/zinc/63/02/58/1133630258.db2.gz YOSVWKMBDXXAFQ-NVXWUHKLSA-N 2 1 282.431 3.707 20 0 CHADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc(-c2ccccc2)c1 ZINC001205915571 1133630339 /nfs/dbraw/zinc/63/03/39/1133630339.db2.gz PSEGBBYBFUEEBS-OXJNMPFZSA-N 2 1 294.442 3.913 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1 ZINC001205915790 1133630362 /nfs/dbraw/zinc/63/03/62/1133630362.db2.gz QLXBTZZFQDXAMF-ZIAGYGMSSA-N 2 1 280.843 3.516 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205913027 1133630409 /nfs/dbraw/zinc/63/04/09/1133630409.db2.gz GFXBGLOAXVYISG-GXTWGEPZSA-N 2 1 288.460 3.769 20 0 CHADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccccc1-c1ccccc1 ZINC001205913548 1133630519 /nfs/dbraw/zinc/63/05/19/1133630519.db2.gz IYQWLYRZXUCYOR-WMZOPIPTSA-N 2 1 294.442 3.913 20 0 CHADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC001205925466 1133630957 /nfs/dbraw/zinc/63/09/57/1133630957.db2.gz NQTKRROJMVWCIX-ZACQAIPSSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+]1CCCC[C@@H]([NH3+])C1 ZINC001205931829 1133632873 /nfs/dbraw/zinc/63/28/73/1133632873.db2.gz LRYYOFMFSLKINA-CYBMUJFWSA-N 2 1 274.433 3.523 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+]1CCCC[C@@H]([NH3+])C1 ZINC001205931829 1133632876 /nfs/dbraw/zinc/63/28/76/1133632876.db2.gz LRYYOFMFSLKINA-CYBMUJFWSA-N 2 1 274.433 3.523 20 0 CHADMP [NH3+][C@@H]1CCCC[N@H+](Cc2ccccc2-c2cccs2)C1 ZINC001205933178 1133633505 /nfs/dbraw/zinc/63/35/05/1133633505.db2.gz ZVHNAUVTLASLCZ-OAHLLOKOSA-N 2 1 286.444 3.728 20 0 CHADMP [NH3+][C@@H]1CCCC[N@@H+](Cc2ccccc2-c2cccs2)C1 ZINC001205933178 1133633506 /nfs/dbraw/zinc/63/35/06/1133633506.db2.gz ZVHNAUVTLASLCZ-OAHLLOKOSA-N 2 1 286.444 3.728 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)s1 ZINC001205996045 1133638778 /nfs/dbraw/zinc/63/87/78/1133638778.db2.gz UEDOTMDRSFHPMJ-HUUCEWRRSA-N 2 1 294.508 3.898 20 0 CHADMP CCc1cccc2c(C[N@H+]3CCC[C@@H](C[NH3+])[C@@H](C)C3)c[nH]c21 ZINC001205995965 1133639235 /nfs/dbraw/zinc/63/92/35/1133639235.db2.gz SISZIECIWYAWNE-HOCLYGCPSA-N 2 1 299.462 3.537 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC001206012406 1133641053 /nfs/dbraw/zinc/64/10/53/1133641053.db2.gz LDWKVQAONWTUGS-APWZRJJASA-N 2 1 288.479 3.836 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccc3cccccc2-3)CCC[C@@H]1C[NH3+] ZINC001206024147 1133643211 /nfs/dbraw/zinc/64/32/11/1133643211.db2.gz IBWSHUDPVZYLIT-DOTOQJQBSA-N 2 1 282.431 3.598 20 0 CHADMP C[C@H]1C[N@@H+](Cc2cccc3sccc32)CCC[C@H]1C[NH3+] ZINC001206026922 1133643961 /nfs/dbraw/zinc/64/39/61/1133643961.db2.gz VCICTJWURHVKRH-KBPBESRZSA-N 2 1 288.460 3.708 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCC(CSC)CC1 ZINC001206055296 1133650356 /nfs/dbraw/zinc/65/03/56/1133650356.db2.gz JEGFWVKFZHWILD-QQFBHYJXSA-N 2 1 286.529 3.618 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCC(CSC)CC1 ZINC001206055296 1133650360 /nfs/dbraw/zinc/65/03/60/1133650360.db2.gz JEGFWVKFZHWILD-QQFBHYJXSA-N 2 1 286.529 3.618 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCC[NH2+]C2CCCCC2)C[C@H]1C ZINC001206109599 1133658533 /nfs/dbraw/zinc/65/85/33/1133658533.db2.gz DDZNYUJCFAMLFY-HZPDHXFCSA-N 2 1 266.473 3.667 20 0 CHADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)cc2)CC[C@@H]1F ZINC001206164237 1133665927 /nfs/dbraw/zinc/66/59/27/1133665927.db2.gz JTSGQDLFFPCPRW-RBUKOAKNSA-N 2 1 298.405 3.615 20 0 CHADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)CC[C@@H]1F ZINC001206164237 1133665931 /nfs/dbraw/zinc/66/59/31/1133665931.db2.gz JTSGQDLFFPCPRW-RBUKOAKNSA-N 2 1 298.405 3.615 20 0 CHADMP CCc1cccc2c(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)c[nH]c21 ZINC001206304558 1133686569 /nfs/dbraw/zinc/68/65/69/1133686569.db2.gz MPIULCPOWOYSIZ-IBGZPJMESA-N 2 1 299.462 3.681 20 0 CHADMP CC(C)c1ccccc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206319111 1133688822 /nfs/dbraw/zinc/68/88/22/1133688822.db2.gz XRGPIOTYLRIUPP-GOSISDBHSA-N 2 1 274.452 3.761 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1Cl ZINC001206317031 1133689145 /nfs/dbraw/zinc/68/91/45/1133689145.db2.gz BFGXMVWCBAQKDA-MRXNPFEDSA-N 2 1 280.843 3.599 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(C3CC3)cc2)CC1 ZINC001206318133 1133689204 /nfs/dbraw/zinc/68/92/04/1133689204.db2.gz MUQRJCDJRUEYCZ-SFHVURJKSA-N 2 1 272.436 3.515 20 0 CHADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC001206542390 1133715002 /nfs/dbraw/zinc/71/50/02/1133715002.db2.gz ZVIZNUMWXPSAMM-KRWDZBQOSA-N 2 1 294.870 3.724 20 0 CHADMP Cc1cccc(CC[C@H](C)[NH2+]CCC[N@H+](C)CC(C)C)c1 ZINC001206537806 1133715166 /nfs/dbraw/zinc/71/51/66/1133715166.db2.gz OHQSYKHQEFUGTE-SFHVURJKSA-N 2 1 290.495 3.884 20 0 CHADMP Cc1cc(F)cc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c1Cl ZINC001206573208 1133720911 /nfs/dbraw/zinc/72/09/11/1133720911.db2.gz JUARFNHQNRXRFF-INIZCTEOSA-N 2 1 298.833 3.738 20 0 CHADMP Cc1cc(F)cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1Cl ZINC001206573208 1133720917 /nfs/dbraw/zinc/72/09/17/1133720917.db2.gz JUARFNHQNRXRFF-INIZCTEOSA-N 2 1 298.833 3.738 20 0 CHADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2c3ccoc3ccc2F)C1 ZINC001206580578 1133721819 /nfs/dbraw/zinc/72/18/19/1133721819.db2.gz FDKNRNOLKFJBTM-QGZVFWFLSA-N 2 1 290.382 3.523 20 0 CHADMP CC(C)[N@@H+](Cc1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206581553 1133722076 /nfs/dbraw/zinc/72/20/76/1133722076.db2.gz KEBJYLAHYVKEFR-CQSZACIVSA-N 2 1 298.833 3.832 20 0 CHADMP Cc1cccc(C)c1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206583351 1133722200 /nfs/dbraw/zinc/72/22/00/1133722200.db2.gz SXKZGPAJBVKEII-QGZVFWFLSA-N 2 1 274.452 3.656 20 0 CHADMP CC(C)[N@@H+](Cc1ccccc1C(F)F)[C@H]1CCC[NH2+]CC1 ZINC001206591513 1133724175 /nfs/dbraw/zinc/72/41/75/1133724175.db2.gz SGQSDCVDOBXAMK-HNNXBMFYSA-N 2 1 296.405 3.977 20 0 CHADMP Cc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c2ccccc12 ZINC001206616063 1133727631 /nfs/dbraw/zinc/72/76/31/1133727631.db2.gz NBLREORSZCOOJZ-MRXNPFEDSA-N 2 1 282.431 3.709 20 0 CHADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206761295 1133743987 /nfs/dbraw/zinc/74/39/87/1133743987.db2.gz WDAWPGXZMMHREV-YESZJQIVSA-N 2 1 298.515 3.667 20 0 CHADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC001206811213 1133751820 /nfs/dbraw/zinc/75/18/20/1133751820.db2.gz RUNLZVVCGYYFSE-GDBMZVCRSA-N 2 1 272.436 3.513 20 0 CHADMP C[C@@H]1CCC(C)(C)C[C@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001206827457 1133753076 /nfs/dbraw/zinc/75/30/76/1133753076.db2.gz NVHJANHNKPNGDX-KBAYOESNSA-N 2 1 292.511 3.913 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000164606746 1133759213 /nfs/dbraw/zinc/75/92/13/1133759213.db2.gz JABGKNXUBBIUEO-HOTGVXAUSA-N 2 1 285.435 3.754 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC001207282796 1133787575 /nfs/dbraw/zinc/78/75/75/1133787575.db2.gz OTVYFCJVZGLAQK-MRXNPFEDSA-N 2 1 266.473 3.619 20 0 CHADMP c1ccc(C[NH+]2CCC(C[N@H+]3CCCCC34CC4)CC2)cc1 ZINC001207292365 1133788991 /nfs/dbraw/zinc/78/89/91/1133788991.db2.gz PTZVSTBAOHJVOF-UHFFFAOYSA-N 2 1 298.474 3.917 20 0 CHADMP c1ccc(C[NH+]2CCC(C[N@H+]3CCCC34CC4)CC2)cc1 ZINC001207287686 1133789154 /nfs/dbraw/zinc/78/91/54/1133789154.db2.gz WGEHMWCRAUXQRS-UHFFFAOYSA-N 2 1 284.447 3.527 20 0 CHADMP CSc1ccccc1[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC001207441016 1133802440 /nfs/dbraw/zinc/80/24/40/1133802440.db2.gz OGPLSJJPTIDTNI-MRXNPFEDSA-N 2 1 290.476 3.545 20 0 CHADMP CC[NH+](CC)C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC001207603090 1133828684 /nfs/dbraw/zinc/82/86/84/1133828684.db2.gz WQQHRFIFLIPVFO-UHFFFAOYSA-N 2 1 292.442 3.565 20 0 CHADMP C[NH+]1CCC(C)(C[N@@H+](Cc2ccccc2)C2CCC2)CC1 ZINC001208111738 1133876971 /nfs/dbraw/zinc/87/69/71/1133876971.db2.gz NSHVAGULCLEWFU-UHFFFAOYSA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@@H]1c2ccccc2CC[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208109013 1133877170 /nfs/dbraw/zinc/87/71/70/1133877170.db2.gz JHUAGQYIZXRQHY-GOSISDBHSA-N 2 1 286.463 3.728 20 0 CHADMP C[NH+](C)CC1(C[N@H+]2CCCC3(CC(F)C3)CC2)CCCC1 ZINC001208185374 1133902142 /nfs/dbraw/zinc/90/21/42/1133902142.db2.gz CBXFKSJHWLKEQM-UHFFFAOYSA-N 2 1 296.474 3.713 20 0 CHADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H]2c2cccc(F)c2)CC1 ZINC001208599680 1133919540 /nfs/dbraw/zinc/91/95/40/1133919540.db2.gz KLDYJMQDBGCOHG-SFHVURJKSA-N 2 1 290.426 3.695 20 0 CHADMP CC[NH+]1CCC(C[N@@H+]2CC=C(c3ccccc3)CC2)CC1 ZINC001208600925 1133919927 /nfs/dbraw/zinc/91/99/27/1133919927.db2.gz GDQRUGWSRYMQLS-UHFFFAOYSA-N 2 1 284.447 3.508 20 0 CHADMP C(C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1)C1CCCC1 ZINC001208694392 1133928333 /nfs/dbraw/zinc/92/83/33/1133928333.db2.gz ZBZCKQSKYMYGSA-UHFFFAOYSA-N 2 1 290.495 3.907 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)CCC2CCCC2)CC1 ZINC001208697980 1133929014 /nfs/dbraw/zinc/92/90/14/1133929014.db2.gz CAARWPHPEXCQBG-UHFFFAOYSA-N 2 1 266.473 3.763 20 0 CHADMP C[C@H](C[N@H+](C)C1CC[NH+](C)CC1)c1cccc2ccccc21 ZINC001208704240 1133933118 /nfs/dbraw/zinc/93/31/18/1133933118.db2.gz IVRQIFGKPMGCLY-MRXNPFEDSA-N 2 1 296.458 3.969 20 0 CHADMP C[C@H](C[N@@H+](C)C1CC[NH+](C)CC1)c1cccc2ccccc21 ZINC001208704240 1133933121 /nfs/dbraw/zinc/93/31/21/1133933121.db2.gz IVRQIFGKPMGCLY-MRXNPFEDSA-N 2 1 296.458 3.969 20 0 CHADMP C[N@H+]1CC[C@@]2(CC[NH+](CC3(c4ccccc4)CCCC3)C2)C1 ZINC001208777206 1133944543 /nfs/dbraw/zinc/94/45/43/1133944543.db2.gz FIMZRBZPFWCIGT-LJQANCHMSA-N 2 1 298.474 3.526 20 0 CHADMP C[NH+]1CC[C@@]2(CC[N@H+](CC3(c4ccccc4)CCCC3)C2)C1 ZINC001208777206 1133944547 /nfs/dbraw/zinc/94/45/47/1133944547.db2.gz FIMZRBZPFWCIGT-LJQANCHMSA-N 2 1 298.474 3.526 20 0 CHADMP C[NH+]1CC[C@@]2(CC[N@@H+](CC3(c4ccccc4)CCCC3)C2)C1 ZINC001208777206 1133944550 /nfs/dbraw/zinc/94/45/50/1133944550.db2.gz FIMZRBZPFWCIGT-LJQANCHMSA-N 2 1 298.474 3.526 20 0 CHADMP C[N@@H+](CCC1CC1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208939110 1133966078 /nfs/dbraw/zinc/96/60/78/1133966078.db2.gz FDJRKASBNYJYGQ-IBGZPJMESA-N 2 1 286.463 3.631 20 0 CHADMP C[NH+](CCC1CC1)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208939110 1133966081 /nfs/dbraw/zinc/96/60/81/1133966081.db2.gz FDJRKASBNYJYGQ-IBGZPJMESA-N 2 1 286.463 3.631 20 0 CHADMP C[NH+](CCC1CC1)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208939110 1133966086 /nfs/dbraw/zinc/96/60/86/1133966086.db2.gz FDJRKASBNYJYGQ-IBGZPJMESA-N 2 1 286.463 3.631 20 0 CHADMP CC[C@H](C)[N@H+](C)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208936176 1133968339 /nfs/dbraw/zinc/96/83/39/1133968339.db2.gz NOJLCKHAPQSMAQ-FUHWJXTLSA-N 2 1 274.452 3.629 20 0 CHADMP CC[C@H](C)[N@@H+](C)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208936176 1133968343 /nfs/dbraw/zinc/96/83/43/1133968343.db2.gz NOJLCKHAPQSMAQ-FUHWJXTLSA-N 2 1 274.452 3.629 20 0 CHADMP CC[C@H](C)[NH+](C)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208936176 1133968345 /nfs/dbraw/zinc/96/83/45/1133968345.db2.gz NOJLCKHAPQSMAQ-FUHWJXTLSA-N 2 1 274.452 3.629 20 0 CHADMP CC[C@H](C)[NH+](C)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208936176 1133968349 /nfs/dbraw/zinc/96/83/49/1133968349.db2.gz NOJLCKHAPQSMAQ-FUHWJXTLSA-N 2 1 274.452 3.629 20 0 CHADMP C[N@@H+](CCCCCc1ccccc1)CC1CC[NH+](C)CC1 ZINC001209230371 1133992546 /nfs/dbraw/zinc/99/25/46/1133992546.db2.gz UPRRYMDHSKGOET-UHFFFAOYSA-N 2 1 288.479 3.673 20 0 CHADMP COC(C)(C)CC[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001209409648 1134012390 /nfs/dbraw/zinc/01/23/90/1134012390.db2.gz RATXQRWDTKJCGI-UHFFFAOYSA-N 2 1 296.499 3.530 20 0 CHADMP c1[nH]c2ccc(Nc3ccccc3C[NH+]3CCCC3)cc2[nH+]1 ZINC001209847043 1134080030 /nfs/dbraw/zinc/08/00/30/1134080030.db2.gz NJQSCXDJIGIBDC-UHFFFAOYSA-N 2 1 292.386 3.902 20 0 CHADMP c1[nH]c2ccc(Nc3cccc(C[NH+]4CCCC4)c3)cc2[nH+]1 ZINC001209847379 1134081771 /nfs/dbraw/zinc/08/17/71/1134081771.db2.gz PPSYVRXTPIXEPH-UHFFFAOYSA-N 2 1 292.386 3.902 20 0 CHADMP CCC[NH+](CCC)c1ccc(Nc2c[nH+]cn2C)cc1 ZINC001211250625 1134399819 /nfs/dbraw/zinc/39/98/19/1134399819.db2.gz OTHOBAPGKZVWBV-UHFFFAOYSA-N 2 1 272.396 3.790 20 0 CHADMP C[NH2+]Cc1cccc(Nc2cccn3c(C)c(C)[nH+]c23)c1F ZINC001216223016 1134811026 /nfs/dbraw/zinc/81/10/26/1134811026.db2.gz HRKGTDLREGEQQV-UHFFFAOYSA-N 2 1 298.365 3.553 20 0 CHADMP CCCC[C@H](C)Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001218224023 1135071749 /nfs/dbraw/zinc/07/17/49/1135071749.db2.gz ZBEMBBQMISWWMF-HNNXBMFYSA-N 2 1 290.451 3.567 20 0 CHADMP C[C@@H](CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)CC(C)(C)C ZINC001222141092 1135198864 /nfs/dbraw/zinc/19/88/64/1135198864.db2.gz DUCHHTALELGFAN-DOTOQJQBSA-N 2 1 266.473 3.524 20 0 CHADMP FC(F)(F)CCC[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222155290 1135201396 /nfs/dbraw/zinc/20/13/96/1135201396.db2.gz ZEWAUBURJIHYAY-CQSZACIVSA-N 2 1 292.389 3.575 20 0 CHADMP Fc1ccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222162011 1135202935 /nfs/dbraw/zinc/20/29/35/1135202935.db2.gz VZWPHVQIYLUPNC-SFHVURJKSA-N 2 1 290.426 3.572 20 0 CHADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000320137114 1135213628 /nfs/dbraw/zinc/21/36/28/1135213628.db2.gz KVCIKSHQGGJSND-GOSISDBHSA-N 2 1 294.442 3.914 20 0 CHADMP Cc1cccc(Cl)c1C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222264687 1135215266 /nfs/dbraw/zinc/21/52/66/1135215266.db2.gz FXHTZUAOMBMDMF-KRWDZBQOSA-N 2 1 292.854 3.614 20 0 CHADMP Cc1cccc(Cl)c1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222264687 1135215272 /nfs/dbraw/zinc/21/52/72/1135215272.db2.gz FXHTZUAOMBMDMF-KRWDZBQOSA-N 2 1 292.854 3.614 20 0 CHADMP CCCc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)s1 ZINC001222265821 1135216472 /nfs/dbraw/zinc/21/64/72/1135216472.db2.gz ZVQATMAQXAREOA-KRWDZBQOSA-N 2 1 292.492 3.666 20 0 CHADMP CC1=C[C@@H](C)[C@@H](C[NH+]2CCC3(CCCC[NH2+]3)CC2)CC1 ZINC001222287374 1135218628 /nfs/dbraw/zinc/21/86/28/1135218628.db2.gz IEDBFHMMECTXDA-IAGOWNOFSA-N 2 1 276.468 3.587 20 0 CHADMP Cc1cccc2[nH]cc(C[N@H+]3CCC[C@]34CCC[NH2+]CC4)c21 ZINC001222314568 1135223884 /nfs/dbraw/zinc/22/38/84/1135223884.db2.gz HYXAXDJGZYDHKP-IBGZPJMESA-N 2 1 297.446 3.584 20 0 CHADMP c1cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c2c(c1)CCCC2 ZINC001222320580 1135225442 /nfs/dbraw/zinc/22/54/42/1135225442.db2.gz KPJKKPGFUFUWNI-FQEVSTJZSA-N 2 1 298.474 3.674 20 0 CHADMP CC/C=C\CCCCC[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222346810 1135229367 /nfs/dbraw/zinc/22/93/67/1135229367.db2.gz TTXTWIRKUYSCGW-CWIOURORSA-N 2 1 264.457 3.731 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222346810 1135229371 /nfs/dbraw/zinc/22/93/71/1135229371.db2.gz TTXTWIRKUYSCGW-CWIOURORSA-N 2 1 264.457 3.731 20 0 CHADMP c1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)c2cccccc1-2 ZINC001222359871 1135231669 /nfs/dbraw/zinc/23/16/69/1135231669.db2.gz ATNHPVRBIRPIRU-LJQANCHMSA-N 2 1 280.415 3.509 20 0 CHADMP c1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)c2cccccc1-2 ZINC001222359871 1135231670 /nfs/dbraw/zinc/23/16/70/1135231670.db2.gz ATNHPVRBIRPIRU-LJQANCHMSA-N 2 1 280.415 3.509 20 0 CHADMP c1ccc(CCCC[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)cc1 ZINC001222385884 1135234912 /nfs/dbraw/zinc/23/49/12/1135234912.db2.gz ZKZCKMXXHOHGLM-IBGZPJMESA-N 2 1 286.463 3.617 20 0 CHADMP c1ccc(CCCC[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)cc1 ZINC001222385884 1135234915 /nfs/dbraw/zinc/23/49/15/1135234915.db2.gz ZKZCKMXXHOHGLM-IBGZPJMESA-N 2 1 286.463 3.617 20 0 CHADMP CCc1cccc(C)c1C[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222396880 1135236090 /nfs/dbraw/zinc/23/60/90/1135236090.db2.gz XIIIBJNTQABVTO-IBGZPJMESA-N 2 1 286.463 3.666 20 0 CHADMP CCc1cccc(C)c1C[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222396880 1135236095 /nfs/dbraw/zinc/23/60/95/1135236095.db2.gz XIIIBJNTQABVTO-IBGZPJMESA-N 2 1 286.463 3.666 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222464726 1135244772 /nfs/dbraw/zinc/24/47/72/1135244772.db2.gz DLGFAFNBJHCVOC-DLBZAZTESA-N 2 1 264.457 3.587 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222464726 1135244774 /nfs/dbraw/zinc/24/47/74/1135244774.db2.gz DLGFAFNBJHCVOC-DLBZAZTESA-N 2 1 264.457 3.587 20 0 CHADMP CC(C)=CCC[C@@H](C)C[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001226786048 1135741208 /nfs/dbraw/zinc/74/12/08/1135741208.db2.gz UWAOXXTUKXMPNJ-MRXNPFEDSA-N 2 1 264.457 3.587 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000353453212 529807062 /nfs/dbraw/zinc/80/70/62/529807062.db2.gz FDMPLUIJUZJSGG-YRXWBPOGSA-N 2 1 284.447 3.526 20 0 CHADMP CC1(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC000574262936 335004854 /nfs/dbraw/zinc/00/48/54/335004854.db2.gz APGNRBFRGWUQFR-UHFFFAOYSA-N 2 1 298.474 3.775 20 0 CHADMP CC(C)C1CCC(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000312455831 260034054 /nfs/dbraw/zinc/03/40/54/260034054.db2.gz PDGJRKSINBDOLA-FOIPXRHGSA-N 2 1 278.484 3.665 20 0 CHADMP C[C@@H](CCC(C)(C)C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352750034 533519834 /nfs/dbraw/zinc/51/98/34/533519834.db2.gz ORTLFRWVFJKMGT-LBPRGKRZSA-N 2 1 283.485 3.509 20 0 CHADMP CC1=C[C@H](C)C[C@H](C[N@@H+]2CC[C@@H](N3CCCC3)[C@@H]2C)C1 ZINC000575101244 335065033 /nfs/dbraw/zinc/06/50/33/335065033.db2.gz BSFSZLBGLOFFQM-LEUOFYLZSA-N 2 1 276.468 3.537 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)cc2)CC1 ZINC000020189653 171055540 /nfs/dbraw/zinc/05/55/40/171055540.db2.gz JEISBAXNYZVQTP-CYBMUJFWSA-N 2 1 280.843 3.865 20 0 CHADMP CCCCC[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000020553055 171248027 /nfs/dbraw/zinc/24/80/27/171248027.db2.gz KRHOFVWLKKLGMJ-CVEARBPZSA-N 2 1 254.462 3.809 20 0 CHADMP CC1CC[NH+](CCC[NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000021517116 171313272 /nfs/dbraw/zinc/31/32/72/171313272.db2.gz PJZXEFLZXLZVQS-UHFFFAOYSA-N 2 1 280.843 3.552 20 0 CHADMP c1cn(-c2ccc(C[N@H+]3CCCC34CCCCC4)cn2)cn1 ZINC000366985745 226109832 /nfs/dbraw/zinc/10/98/32/226109832.db2.gz CWBKSKNAXMVKIT-UHFFFAOYSA-N 2 1 296.418 3.566 20 0 CHADMP c1cc2cc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)ccc2o1 ZINC000347855395 226385500 /nfs/dbraw/zinc/38/55/00/226385500.db2.gz MYJXLACSGHVSOI-SFHVURJKSA-N 2 1 298.430 3.883 20 0 CHADMP c1cc2cc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)ccc2o1 ZINC000347855395 226385501 /nfs/dbraw/zinc/38/55/01/226385501.db2.gz MYJXLACSGHVSOI-SFHVURJKSA-N 2 1 298.430 3.883 20 0 CHADMP C[NH+](C)Cc1cnc(C[NH2+]CC(C)(C)C2CCCC2)s1 ZINC000352760289 227197270 /nfs/dbraw/zinc/19/72/70/227197270.db2.gz ODABRCXLKMEAIM-UHFFFAOYSA-N 2 1 295.496 3.511 20 0 CHADMP Cc1cccc(C)c1C[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000179477537 260050531 /nfs/dbraw/zinc/05/05/31/260050531.db2.gz RQXYDSHMUFMEEL-SJLPKXTDSA-N 2 1 283.419 3.583 20 0 CHADMP CCc1ccc([C@H](CC)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037648980 260115031 /nfs/dbraw/zinc/11/50/31/260115031.db2.gz VWTAWAUVHPHEBN-APWZRJJASA-N 2 1 286.463 3.774 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000516815503 260132722 /nfs/dbraw/zinc/13/27/22/260132722.db2.gz UGDVLMUQSIOQTL-HUUCEWRRSA-N 2 1 294.870 3.763 20 0 CHADMP Cc1nc(C)c(C[NH2+]CCC[N@@H+](C)C2CCCCC2)s1 ZINC000076865650 260166411 /nfs/dbraw/zinc/16/64/11/260166411.db2.gz YYCMVSMNSWWXHE-UHFFFAOYSA-N 2 1 295.496 3.504 20 0 CHADMP Cc1nc(C)c(C[NH2+]CCC[N@H+](C)C2CCCCC2)s1 ZINC000076865650 260166413 /nfs/dbraw/zinc/16/64/13/260166413.db2.gz YYCMVSMNSWWXHE-UHFFFAOYSA-N 2 1 295.496 3.504 20 0 CHADMP CCC[C@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000187723903 260166965 /nfs/dbraw/zinc/16/69/65/260166965.db2.gz RYMDOEQSAZBUMR-INIZCTEOSA-N 2 1 289.467 3.809 20 0 CHADMP C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)C[NH+](C)C ZINC000310780137 260228592 /nfs/dbraw/zinc/22/85/92/260228592.db2.gz RKKPHQQMPNSYTL-MNOVXSKESA-N 2 1 289.250 3.842 20 0 CHADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000310780141 260228723 /nfs/dbraw/zinc/22/87/23/260228723.db2.gz RKKPHQQMPNSYTL-WDEREUQCSA-N 2 1 289.250 3.842 20 0 CHADMP CSc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000091959889 260266966 /nfs/dbraw/zinc/26/69/66/260266966.db2.gz LJMYAGNKCUUPPZ-VNHYZAJKSA-N 2 1 278.465 3.542 20 0 CHADMP CSc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000091959889 260266967 /nfs/dbraw/zinc/26/69/67/260266967.db2.gz LJMYAGNKCUUPPZ-VNHYZAJKSA-N 2 1 278.465 3.542 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1C ZINC000088163886 260280063 /nfs/dbraw/zinc/28/00/63/260280063.db2.gz SDEMAWLJCUNUSZ-UXDRXVOSSA-N 2 1 286.463 3.969 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C ZINC000088163886 260280065 /nfs/dbraw/zinc/28/00/65/260280065.db2.gz SDEMAWLJCUNUSZ-UXDRXVOSSA-N 2 1 286.463 3.969 20 0 CHADMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCc3occc32)CC1 ZINC000126539216 260353781 /nfs/dbraw/zinc/35/37/81/260353781.db2.gz GOPTVIAVVCUNRF-HNNXBMFYSA-N 2 1 276.424 3.510 20 0 CHADMP C([NH2+]C1CCC2(CCCC2)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000129319892 260385260 /nfs/dbraw/zinc/38/52/60/260385260.db2.gz UCFWHXHXRMSNIT-OAHLLOKOSA-N 2 1 276.468 3.563 20 0 CHADMP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000152692931 261068494 /nfs/dbraw/zinc/06/84/94/261068494.db2.gz DZEMBLRJCSPTNO-KBXCAEBGSA-N 2 1 284.447 3.760 20 0 CHADMP Cc1cc([C@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)c(C)s1 ZINC000052206016 261074698 /nfs/dbraw/zinc/07/46/98/261074698.db2.gz NCPJBZDHRZAGTO-ZFWWWQNUSA-N 2 1 280.481 3.890 20 0 CHADMP CCOc1ccccc1[C@@H](CC)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000153945532 261085757 /nfs/dbraw/zinc/08/57/57/261085757.db2.gz XQOZJYLZIARZOW-HLLBOEOZSA-N 2 1 290.451 3.609 20 0 CHADMP CCOc1ccccc1[C@@H](CC)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000153945532 261085758 /nfs/dbraw/zinc/08/57/58/261085758.db2.gz XQOZJYLZIARZOW-HLLBOEOZSA-N 2 1 290.451 3.609 20 0 CHADMP C[C@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000153977794 261086101 /nfs/dbraw/zinc/08/61/01/261086101.db2.gz BXWRFUMPJJMVLW-KGLIPLIRSA-N 2 1 292.854 3.517 20 0 CHADMP CC(C)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000052378998 261089538 /nfs/dbraw/zinc/08/95/38/261089538.db2.gz IKBXKXBCJFDOFS-HNNXBMFYSA-N 2 1 260.425 3.559 20 0 CHADMP CC[N@@H+](C)C[C@H]1CCN([C@@H]2CCc3c2cccc3Cl)C1 ZINC000155045462 261097568 /nfs/dbraw/zinc/09/75/68/261097568.db2.gz QPJRXPDBRWFOPC-CXAGYDPISA-N 2 1 292.854 3.601 20 0 CHADMP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000155045462 261097570 /nfs/dbraw/zinc/09/75/70/261097570.db2.gz QPJRXPDBRWFOPC-CXAGYDPISA-N 2 1 292.854 3.601 20 0 CHADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000155045462 261097572 /nfs/dbraw/zinc/09/75/72/261097572.db2.gz QPJRXPDBRWFOPC-CXAGYDPISA-N 2 1 292.854 3.601 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000155045462 261097574 /nfs/dbraw/zinc/09/75/74/261097574.db2.gz QPJRXPDBRWFOPC-CXAGYDPISA-N 2 1 292.854 3.601 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000155045462 261097576 /nfs/dbraw/zinc/09/75/76/261097576.db2.gz QPJRXPDBRWFOPC-CXAGYDPISA-N 2 1 292.854 3.601 20 0 CHADMP C(=C/c1ccccc1)\C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157246792 261143007 /nfs/dbraw/zinc/14/30/07/261143007.db2.gz ZZWDXPMKZHDACZ-IUYMFKLXSA-N 2 1 284.447 3.650 20 0 CHADMP C(=C/c1ccccc1)\C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157246792 261143008 /nfs/dbraw/zinc/14/30/08/261143008.db2.gz ZZWDXPMKZHDACZ-IUYMFKLXSA-N 2 1 284.447 3.650 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cncc(F)c1 ZINC000157886939 261154581 /nfs/dbraw/zinc/15/45/81/261154581.db2.gz WFVXOXYNENSBMV-GJZGRUSLSA-N 2 1 293.430 3.526 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000164585218 261354576 /nfs/dbraw/zinc/35/45/76/261354576.db2.gz PRQCMOBLHPTINN-INIZCTEOSA-N 2 1 285.435 3.939 20 0 CHADMP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccc(F)cc1 ZINC000164686736 261357463 /nfs/dbraw/zinc/35/74/63/261357463.db2.gz HHNGKFKSTOHJFS-QGZVFWFLSA-N 2 1 289.398 3.852 20 0 CHADMP COc1ccsc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000186154077 262081786 /nfs/dbraw/zinc/08/17/86/262081786.db2.gz WSADGECZHKWZIU-KBPBESRZSA-N 2 1 296.480 3.528 20 0 CHADMP COc1ccsc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000186154077 262081788 /nfs/dbraw/zinc/08/17/88/262081788.db2.gz WSADGECZHKWZIU-KBPBESRZSA-N 2 1 296.480 3.528 20 0 CHADMP Cc1cc2c(cc1C)[C@H]([NH2+]C1CC[NH+](C)CC1)CCS2 ZINC000186947002 262117123 /nfs/dbraw/zinc/11/71/23/262117123.db2.gz IWYACZKLVWNWLW-MRXNPFEDSA-N 2 1 290.476 3.524 20 0 CHADMP COc1ccc(C)cc1[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000020552553 262250313 /nfs/dbraw/zinc/25/03/13/262250313.db2.gz QPRDXTPYENGSOF-INIZCTEOSA-N 2 1 290.451 3.530 20 0 CHADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc2ccccc2o1 ZINC000020564224 262251324 /nfs/dbraw/zinc/25/13/24/262251324.db2.gz XFDIFAAWDOZSCI-OAHLLOKOSA-N 2 1 286.419 3.787 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc2ccccc2o1 ZINC000020564224 262251326 /nfs/dbraw/zinc/25/13/26/262251326.db2.gz XFDIFAAWDOZSCI-OAHLLOKOSA-N 2 1 286.419 3.787 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000311721014 262339915 /nfs/dbraw/zinc/33/99/15/262339915.db2.gz PCTVMWVKJLIYJS-YOEHRIQHSA-N 2 1 260.425 3.555 20 0 CHADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2c2ccccc2Cl)CC[NH2+]1 ZINC000414681837 263031237 /nfs/dbraw/zinc/03/12/37/263031237.db2.gz WUHYYPJNYJPCPA-CPUCHLNUSA-N 2 1 292.854 3.865 20 0 CHADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414689552 263032543 /nfs/dbraw/zinc/03/25/43/263032543.db2.gz GDVPIDYKBSTXGK-SOLBZPMBSA-N 2 1 274.452 3.704 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+][C@H](C)C2)s1 ZINC000414687934 263032649 /nfs/dbraw/zinc/03/26/49/263032649.db2.gz CTVMEFQRYGZLDO-YUELXQCFSA-N 2 1 278.465 3.582 20 0 CHADMP CC[N@@H+](Cc1c(C)oc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000414720222 263034356 /nfs/dbraw/zinc/03/43/56/263034356.db2.gz XSOSUJLDPJSVGT-OAHLLOKOSA-N 2 1 286.419 3.705 20 0 CHADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC000414748699 263037787 /nfs/dbraw/zinc/03/77/87/263037787.db2.gz UXTIVSZWSVOIIN-IIDMSEBBSA-N 2 1 290.426 3.741 20 0 CHADMP C[C@@H](c1ccc2ccccc2c1)[N@@H+](CCC[NH3+])C1CC1 ZINC000414748972 263037894 /nfs/dbraw/zinc/03/78/94/263037894.db2.gz OYVBKEXDYOJOHU-AWEZNQCLSA-N 2 1 268.404 3.714 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000414760824 263040106 /nfs/dbraw/zinc/04/01/06/263040106.db2.gz HQWZBGIKERKLKY-OALUTQOASA-N 2 1 298.474 3.572 20 0 CHADMP C[C@H](CC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000414782237 263045891 /nfs/dbraw/zinc/04/58/91/263045891.db2.gz OAFOLSCBYKOQOT-QRQLOZEOSA-N 2 1 286.463 3.502 20 0 CHADMP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414833450 263056475 /nfs/dbraw/zinc/05/64/75/263056475.db2.gz FSWMAHFEMXCXKR-RLFYNMQTSA-N 2 1 274.452 3.676 20 0 CHADMP [NH3+]C[C@H]([NH2+]Cc1ccc(C(F)F)cc1)C1CCCCC1 ZINC000414834136 263056893 /nfs/dbraw/zinc/05/68/93/263056893.db2.gz GQKAJZLEESMUEU-HNNXBMFYSA-N 2 1 282.378 3.621 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000282997869 263080354 /nfs/dbraw/zinc/08/03/54/263080354.db2.gz GAAOFOSRQFDAPP-FPAYPSAMSA-N 2 1 286.463 3.500 20 0 CHADMP C[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(C2CC2)c1 ZINC000340186499 263084496 /nfs/dbraw/zinc/08/44/96/263084496.db2.gz VGIDIIJZTIHAEQ-JVPBZIDWSA-N 2 1 284.447 3.841 20 0 CHADMP C[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1cccc(C2CC2)c1 ZINC000340186499 263084497 /nfs/dbraw/zinc/08/44/97/263084497.db2.gz VGIDIIJZTIHAEQ-JVPBZIDWSA-N 2 1 284.447 3.841 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(C2CC2)c1 ZINC000340186499 263084498 /nfs/dbraw/zinc/08/44/98/263084498.db2.gz VGIDIIJZTIHAEQ-JVPBZIDWSA-N 2 1 284.447 3.841 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(C2CC2)c1 ZINC000340186499 263084499 /nfs/dbraw/zinc/08/44/99/263084499.db2.gz VGIDIIJZTIHAEQ-JVPBZIDWSA-N 2 1 284.447 3.841 20 0 CHADMP C[C@@H](C[NH3+])[NH2+]C(CCc1ccccc1)CCc1ccccc1 ZINC000414942225 263152249 /nfs/dbraw/zinc/15/22/49/263152249.db2.gz JTHGCKOCRCZGAT-KRWDZBQOSA-N 2 1 296.458 3.557 20 0 CHADMP C[C@H](CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000415034638 263257102 /nfs/dbraw/zinc/25/71/02/263257102.db2.gz CVBCXYWSCVEGJX-BHIYHBOVSA-N 2 1 286.463 3.644 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1 ZINC000415078724 263267900 /nfs/dbraw/zinc/26/79/00/263267900.db2.gz GVLNCSFTFZLYJS-SNRMKQJTSA-N 2 1 280.415 3.831 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1 ZINC000415078721 263267954 /nfs/dbraw/zinc/26/79/54/263267954.db2.gz GVLNCSFTFZLYJS-KFKAGJAMSA-N 2 1 280.415 3.831 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415086823 263271405 /nfs/dbraw/zinc/27/14/05/263271405.db2.gz SUPOYVGYWNCRCN-XJNFMUPTSA-N 2 1 260.425 3.504 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cccc(Cl)c1Cl ZINC000415092670 263272628 /nfs/dbraw/zinc/27/26/28/263272628.db2.gz UDKMTMIKSVUJHU-WDEREUQCSA-N 2 1 287.234 3.786 20 0 CHADMP c1ccc([C@@H]2C[C@H]([NH2+]C3CCCCCC3)CC[NH2+]2)cc1 ZINC000415098237 263273460 /nfs/dbraw/zinc/27/34/60/263273460.db2.gz FCLSXQOIYIGJIS-MSOLQXFVSA-N 2 1 272.436 3.792 20 0 CHADMP Cc1cccc(CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000415120455 263274490 /nfs/dbraw/zinc/27/44/90/263274490.db2.gz YEVNBXXOIAFFEC-UXHICEINSA-N 2 1 294.442 3.620 20 0 CHADMP CCSc1ccccc1[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000425952056 264070810 /nfs/dbraw/zinc/07/08/10/264070810.db2.gz RPGSMIPQGUTECH-UONOGXRCSA-N 2 1 280.481 3.647 20 0 CHADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000070169579 264225242 /nfs/dbraw/zinc/22/52/42/264225242.db2.gz STQBRQGIMXWFEK-NSHDSACASA-N 2 1 287.234 3.554 20 0 CHADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000070169586 264225481 /nfs/dbraw/zinc/22/54/81/264225481.db2.gz ARWMHLCHPYOADY-LLVKDONJSA-N 2 1 287.234 3.554 20 0 CHADMP Cc1oc2ccccc2c1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000519033709 265300292 /nfs/dbraw/zinc/30/02/92/265300292.db2.gz ZRQLAKIURNVAEH-QAPCUYQASA-N 2 1 298.430 3.657 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000519033709 265300296 /nfs/dbraw/zinc/30/02/96/265300296.db2.gz ZRQLAKIURNVAEH-QAPCUYQASA-N 2 1 298.430 3.657 20 0 CHADMP Cc1oc2ccccc2c1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000519033709 265300300 /nfs/dbraw/zinc/30/03/00/265300300.db2.gz ZRQLAKIURNVAEH-QAPCUYQASA-N 2 1 298.430 3.657 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCCC34CCC4)C2)cc1 ZINC000394754631 328006533 /nfs/dbraw/zinc/00/65/33/328006533.db2.gz AHZDUZYSGFJUDY-RTBURBONSA-N 2 1 298.474 3.821 20 0 CHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C)cc1 ZINC000563307673 328022762 /nfs/dbraw/zinc/02/27/62/328022762.db2.gz CMDLILGKGUNUHT-BZUAXINKSA-N 2 1 292.467 3.506 20 0 CHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000563307673 328022764 /nfs/dbraw/zinc/02/27/64/328022764.db2.gz CMDLILGKGUNUHT-BZUAXINKSA-N 2 1 292.467 3.506 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC000531702188 328026337 /nfs/dbraw/zinc/02/63/37/328026337.db2.gz IXPREWODCUVPSE-GJZGRUSLSA-N 2 1 262.441 3.663 20 0 CHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000534347312 328047447 /nfs/dbraw/zinc/04/74/47/328047447.db2.gz USILELJKLIFUEV-UHFFFAOYSA-N 2 1 296.405 3.517 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000534347312 328047448 /nfs/dbraw/zinc/04/74/48/328047448.db2.gz USILELJKLIFUEV-UHFFFAOYSA-N 2 1 296.405 3.517 20 0 CHADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000563349555 328056800 /nfs/dbraw/zinc/05/68/00/328056800.db2.gz GRJHERZPYXLYLQ-IBGZPJMESA-N 2 1 297.446 3.874 20 0 CHADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000401763917 328056866 /nfs/dbraw/zinc/05/68/66/328056866.db2.gz DWEDLGRFMXZKLK-MRXNPFEDSA-N 2 1 289.448 3.545 20 0 CHADMP CCC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000401766475 328056902 /nfs/dbraw/zinc/05/69/02/328056902.db2.gz GNUDJXJNGDMOLR-MRXNPFEDSA-N 2 1 291.826 3.747 20 0 CHADMP Cc1occc1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000414382729 328158776 /nfs/dbraw/zinc/15/87/76/328158776.db2.gz PWSXHPUNLMGMBV-KRWDZBQOSA-N 2 1 290.451 3.532 20 0 CHADMP Cc1occc1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000414382729 328158778 /nfs/dbraw/zinc/15/87/78/328158778.db2.gz PWSXHPUNLMGMBV-KRWDZBQOSA-N 2 1 290.451 3.532 20 0 CHADMP CC[N@@H+](Cc1ccc(-c2ccccc2)o1)[C@@H]1CCC[NH2+]CC1 ZINC000414718491 328216719 /nfs/dbraw/zinc/21/67/19/328216719.db2.gz RVCIDVCMIKXCCS-QGZVFWFLSA-N 2 1 298.430 3.911 20 0 CHADMP c1ccc2c(c1)cccc2C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414790001 328226372 /nfs/dbraw/zinc/22/63/72/328226372.db2.gz ZETPHNPESNUIMA-QZTJIDSGSA-N 2 1 294.442 3.661 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(C2CC2)c1 ZINC000293753400 328277481 /nfs/dbraw/zinc/27/74/81/328277481.db2.gz OHLFHSBGDZCMHY-GDIGMMSISA-N 2 1 284.447 3.841 20 0 CHADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296064922 328288792 /nfs/dbraw/zinc/28/87/92/328288792.db2.gz WESDGZPMESYEEW-RNIUXLFRSA-N 2 1 284.447 3.758 20 0 CHADMP CCSc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000534496749 328304769 /nfs/dbraw/zinc/30/47/69/328304769.db2.gz VAICCWUGKMOYHX-LSDHHAIUSA-N 2 1 292.492 3.791 20 0 CHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC=C(C(C)(C)C)CC1 ZINC000534691143 328356429 /nfs/dbraw/zinc/35/64/29/328356429.db2.gz KGUWMOWUYUCBRN-INIZCTEOSA-N 2 1 264.457 3.539 20 0 CHADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000534691143 328356431 /nfs/dbraw/zinc/35/64/31/328356431.db2.gz KGUWMOWUYUCBRN-INIZCTEOSA-N 2 1 264.457 3.539 20 0 CHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000534691143 328356432 /nfs/dbraw/zinc/35/64/32/328356432.db2.gz KGUWMOWUYUCBRN-INIZCTEOSA-N 2 1 264.457 3.539 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc(Cl)cc32)CC[N@@H+]1C ZINC000534972176 328372414 /nfs/dbraw/zinc/37/24/14/328372414.db2.gz LIZKAWCPXGJDBL-PVUWLOKVSA-N 2 1 292.854 3.790 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc(Cl)cc32)CC[N@H+]1C ZINC000534972176 328372415 /nfs/dbraw/zinc/37/24/15/328372415.db2.gz LIZKAWCPXGJDBL-PVUWLOKVSA-N 2 1 292.854 3.790 20 0 CHADMP Cc1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(C)s1 ZINC000049686898 328378281 /nfs/dbraw/zinc/37/82/81/328378281.db2.gz KNXXJOOZWSATBX-UHFFFAOYSA-N 2 1 280.481 3.717 20 0 CHADMP C[NH2+]C1CC[NH+]([C@H](C)c2ccc(C(C)(C)C)cc2)CC1 ZINC000261706133 327007024 /nfs/dbraw/zinc/00/70/24/327007024.db2.gz JAKHMOUIPRATJY-CQSZACIVSA-N 2 1 274.452 3.729 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCCCC1 ZINC000088163987 327016851 /nfs/dbraw/zinc/01/68/51/327016851.db2.gz IXQMZCWFCQLLDE-HZTRTUMWSA-N 2 1 264.457 3.560 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC000088163987 327016852 /nfs/dbraw/zinc/01/68/52/327016852.db2.gz IXQMZCWFCQLLDE-HZTRTUMWSA-N 2 1 264.457 3.560 20 0 CHADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000558251130 327081703 /nfs/dbraw/zinc/08/17/03/327081703.db2.gz LDGQHPYXSHBPIJ-AITUJVMLSA-N 2 1 286.463 3.675 20 0 CHADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CCC2CCCCCC2)C1 ZINC000558422936 327093166 /nfs/dbraw/zinc/09/31/66/327093166.db2.gz GRXROEPDEUEJLI-QZTJIDSGSA-N 2 1 278.484 3.763 20 0 CHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CCC2CCCCCC2)C1 ZINC000558422936 327093168 /nfs/dbraw/zinc/09/31/68/327093168.db2.gz GRXROEPDEUEJLI-QZTJIDSGSA-N 2 1 278.484 3.763 20 0 CHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CCC2CCCCCC2)C1 ZINC000558422936 327093169 /nfs/dbraw/zinc/09/31/69/327093169.db2.gz GRXROEPDEUEJLI-QZTJIDSGSA-N 2 1 278.484 3.763 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCCCC1 ZINC000149738082 327143517 /nfs/dbraw/zinc/14/35/17/327143517.db2.gz OTNYNWSSOZXDTJ-LNRIEFBSSA-N 2 1 264.457 3.560 20 0 CHADMP C[N@@H+](CC(C)(C)C[NH3+])C1c2ccccc2-c2ccccc21 ZINC000093861247 327145813 /nfs/dbraw/zinc/14/58/13/327145813.db2.gz RDZNAVPVLNJJAV-UHFFFAOYSA-N 2 1 280.415 3.673 20 0 CHADMP Cc1cc(C)c(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c(C)c1 ZINC000559312716 327158089 /nfs/dbraw/zinc/15/80/89/327158089.db2.gz RVTKGUZRZCXEGC-LJQANCHMSA-N 2 1 286.463 3.530 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(C)c1 ZINC000559312716 327158091 /nfs/dbraw/zinc/15/80/91/327158091.db2.gz RVTKGUZRZCXEGC-LJQANCHMSA-N 2 1 286.463 3.530 20 0 CHADMP Cc1cc(C)c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(C)c1 ZINC000559312716 327158092 /nfs/dbraw/zinc/15/80/92/327158092.db2.gz RVTKGUZRZCXEGC-LJQANCHMSA-N 2 1 286.463 3.530 20 0 CHADMP CCC[N@@H+](Cc1cc(C)nc2ccccc12)C1CC[NH2+]CC1 ZINC000262088989 327159995 /nfs/dbraw/zinc/15/99/95/327159995.db2.gz HWBFHZWXXMFXGW-UHFFFAOYSA-N 2 1 297.446 3.507 20 0 CHADMP CC(C)C[C@@H](C)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000410378054 327189014 /nfs/dbraw/zinc/18/90/14/327189014.db2.gz KASZIEKUFYVOLV-SJORKVTESA-N 2 1 266.473 3.619 20 0 CHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2cc(F)ccc2F)C1 ZINC000151107407 327210256 /nfs/dbraw/zinc/21/02/56/327210256.db2.gz CMTKLQBEIFFOIP-GUYCJALGSA-N 2 1 296.405 3.737 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2cc(F)ccc2F)C1 ZINC000151107407 327210257 /nfs/dbraw/zinc/21/02/57/327210257.db2.gz CMTKLQBEIFFOIP-GUYCJALGSA-N 2 1 296.405 3.737 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000559472795 327247891 /nfs/dbraw/zinc/24/78/91/327247891.db2.gz HGTGNEMMOCMXRZ-OAHLLOKOSA-N 2 1 294.870 3.777 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)C[C@H]2c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000559880178 327266418 /nfs/dbraw/zinc/26/64/18/327266418.db2.gz FCUPDTRHHDGBPE-DEPCRRQNSA-N 2 1 298.474 3.643 20 0 CHADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)CCC(C)(C)C)CC1 ZINC000560245320 327293162 /nfs/dbraw/zinc/29/31/62/327293162.db2.gz JFNNDMPFBXDANX-MRXNPFEDSA-N 2 1 298.515 3.680 20 0 CHADMP CCC1CC([NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000560245062 327293187 /nfs/dbraw/zinc/29/31/87/327293187.db2.gz GULDSHAGCGVQBE-INTUILBWSA-N 2 1 292.492 3.909 20 0 CHADMP CCC1CC([NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000560245062 327293189 /nfs/dbraw/zinc/29/31/89/327293189.db2.gz GULDSHAGCGVQBE-INTUILBWSA-N 2 1 292.492 3.909 20 0 CHADMP Cc1cccc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000560524566 327318245 /nfs/dbraw/zinc/31/82/45/327318245.db2.gz GFRPTWOGHWFFDD-QXCFHYIPSA-N 2 1 286.463 3.561 20 0 CHADMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc(C2CCC2)cc1 ZINC000560525048 327319096 /nfs/dbraw/zinc/31/90/96/327319096.db2.gz DWLTXLDQOKTJCR-DNVCBOLYSA-N 2 1 286.463 3.726 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C2CCC2)cc1 ZINC000560525048 327319097 /nfs/dbraw/zinc/31/90/97/327319097.db2.gz DWLTXLDQOKTJCR-DNVCBOLYSA-N 2 1 286.463 3.726 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C2CCC2)cc1 ZINC000560525048 327319099 /nfs/dbraw/zinc/31/90/99/327319099.db2.gz DWLTXLDQOKTJCR-DNVCBOLYSA-N 2 1 286.463 3.726 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(C2CCC2)cc1 ZINC000560525048 327319101 /nfs/dbraw/zinc/31/91/01/327319101.db2.gz DWLTXLDQOKTJCR-DNVCBOLYSA-N 2 1 286.463 3.726 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(C2CCC2)cc1 ZINC000560525048 327319102 /nfs/dbraw/zinc/31/91/02/327319102.db2.gz DWLTXLDQOKTJCR-DNVCBOLYSA-N 2 1 286.463 3.726 20 0 CHADMP CC[C@H](c1cccc(OC)c1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000583404310 327346963 /nfs/dbraw/zinc/34/69/63/327346963.db2.gz NUMXNVPIHKWJLB-FUHWJXTLSA-N 2 1 290.451 3.562 20 0 CHADMP CC[C@H](c1cccc(OC)c1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000583404310 327346964 /nfs/dbraw/zinc/34/69/64/327346964.db2.gz NUMXNVPIHKWJLB-FUHWJXTLSA-N 2 1 290.451 3.562 20 0 CHADMP CC[C@H](c1cccc(OC)c1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000583404310 327346966 /nfs/dbraw/zinc/34/69/66/327346966.db2.gz NUMXNVPIHKWJLB-FUHWJXTLSA-N 2 1 290.451 3.562 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@H]2CCCC(C)(C)C2)C1 ZINC000583408939 327349004 /nfs/dbraw/zinc/34/90/04/327349004.db2.gz SYOAMYHDEZWDRB-JKSUJKDBSA-N 2 1 266.473 3.523 20 0 CHADMP CC[C@@H](C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000357340312 328869455 /nfs/dbraw/zinc/86/94/55/328869455.db2.gz AQCOPUCOJRKIMG-KGLIPLIRSA-N 2 1 271.408 3.877 20 0 CHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000374616633 328995467 /nfs/dbraw/zinc/99/54/67/328995467.db2.gz AXFQGJIUVWRASV-SMMRIJLZSA-N 2 1 298.474 3.990 20 0 CHADMP C[C@H](CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000193992325 329064497 /nfs/dbraw/zinc/06/44/97/329064497.db2.gz IEOLZAIFFRFSIG-QZTJIDSGSA-N 2 1 286.463 3.598 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000194012861 329064905 /nfs/dbraw/zinc/06/49/05/329064905.db2.gz HDFOYQUGVGNRRS-QZTJIDSGSA-N 2 1 288.479 3.844 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(C)s1 ZINC000172575346 329137424 /nfs/dbraw/zinc/13/74/24/329137424.db2.gz AHQMSXMAPCJMEQ-QGZVFWFLSA-N 2 1 292.492 3.815 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccsc1 ZINC000178099011 329192530 /nfs/dbraw/zinc/19/25/30/329192530.db2.gz UXLLBRIDDJOQPD-GJZGRUSLSA-N 2 1 280.481 3.911 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000178695275 329202405 /nfs/dbraw/zinc/20/24/05/329202405.db2.gz DPCDNOFFLOGLNI-HZPDHXFCSA-N 2 1 285.435 3.795 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CCCC(C)C ZINC000178706332 329202651 /nfs/dbraw/zinc/20/26/51/329202651.db2.gz QSQOYTYWERGVGP-LSDHHAIUSA-N 2 1 265.445 3.632 20 0 CHADMP FC(F)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000183949992 329254949 /nfs/dbraw/zinc/25/49/49/329254949.db2.gz CAFDTNVYNZEPCQ-OAHLLOKOSA-N 2 1 294.389 3.542 20 0 CHADMP FC(F)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000183949992 329254950 /nfs/dbraw/zinc/25/49/50/329254950.db2.gz CAFDTNVYNZEPCQ-OAHLLOKOSA-N 2 1 294.389 3.542 20 0 CHADMP Cc1nc(C)c([C@@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)s1 ZINC000183953267 329255225 /nfs/dbraw/zinc/25/52/25/329255225.db2.gz OCUDSLOFHVOSBI-GFCCVEGCSA-N 2 1 295.496 3.533 20 0 CHADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1cc2ccccc2s1 ZINC000583032796 329305106 /nfs/dbraw/zinc/30/51/06/329305106.db2.gz UNTOHECMNKAEMM-CYBMUJFWSA-N 2 1 299.443 3.918 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186161515 329338704 /nfs/dbraw/zinc/33/87/04/329338704.db2.gz GPKXLJMNAZYNTA-UHFFFAOYSA-N 2 1 295.430 3.519 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186161515 329338707 /nfs/dbraw/zinc/33/87/07/329338707.db2.gz GPKXLJMNAZYNTA-UHFFFAOYSA-N 2 1 295.430 3.519 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1C[C@H]1C ZINC000321750471 329396188 /nfs/dbraw/zinc/39/61/88/329396188.db2.gz ASHZBFRBXWWKQK-DZBHQSCQSA-N 2 1 286.463 3.674 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1C[C@H]1C ZINC000321750471 329396190 /nfs/dbraw/zinc/39/61/90/329396190.db2.gz ASHZBFRBXWWKQK-DZBHQSCQSA-N 2 1 286.463 3.674 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CCCCCOC2CCCCC2)CC[N@H+]1C ZINC000162687812 330109676 /nfs/dbraw/zinc/10/96/76/330109676.db2.gz OZFQVLSBSWAFEV-IAGOWNOFSA-N 2 1 296.499 3.578 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000379649928 330145805 /nfs/dbraw/zinc/14/58/05/330145805.db2.gz QGRVGXVFOKEJIT-RACLHMPKSA-N 2 1 298.474 3.818 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC000379649928 330145806 /nfs/dbraw/zinc/14/58/06/330145806.db2.gz QGRVGXVFOKEJIT-RACLHMPKSA-N 2 1 298.474 3.818 20 0 CHADMP C[C@H](CC[NH2+]C(C1CC1)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000379652505 330146014 /nfs/dbraw/zinc/14/60/14/330146014.db2.gz WZDZGSUECHFCMO-OAHLLOKOSA-N 2 1 286.463 3.675 20 0 CHADMP CCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379659435 330146415 /nfs/dbraw/zinc/14/64/15/330146415.db2.gz ZZLJNNMIFNMXRE-WMZOPIPTSA-N 2 1 274.452 3.819 20 0 CHADMP CCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379659435 330146416 /nfs/dbraw/zinc/14/64/16/330146416.db2.gz ZZLJNNMIFNMXRE-WMZOPIPTSA-N 2 1 274.452 3.819 20 0 CHADMP CCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379659434 330146419 /nfs/dbraw/zinc/14/64/19/330146419.db2.gz ZZLJNNMIFNMXRE-SJLPKXTDSA-N 2 1 274.452 3.819 20 0 CHADMP CCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379659434 330146420 /nfs/dbraw/zinc/14/64/20/330146420.db2.gz ZZLJNNMIFNMXRE-SJLPKXTDSA-N 2 1 274.452 3.819 20 0 CHADMP Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c(C)c1 ZINC000422693270 330150870 /nfs/dbraw/zinc/15/08/70/330150870.db2.gz LSOXXLHJJXIJEO-MSOLQXFVSA-N 2 1 266.388 3.538 20 0 CHADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000422751321 330153215 /nfs/dbraw/zinc/15/32/15/330153215.db2.gz BIDUINFKQROHAS-GUBZILKMSA-N 2 1 275.223 3.770 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(Cl)ccc1Cl ZINC000422792477 330155606 /nfs/dbraw/zinc/15/56/06/330155606.db2.gz ZHRDWEDSEJMVRV-KYTZWMPUSA-N 2 1 299.245 3.927 20 0 CHADMP CC(C)[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)c1ccccc1 ZINC000422804179 330155867 /nfs/dbraw/zinc/15/58/67/330155867.db2.gz DUFMAJANQLGKGE-GDBMZVCRSA-N 2 1 283.419 3.585 20 0 CHADMP Cc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000422810149 330156152 /nfs/dbraw/zinc/15/61/52/330156152.db2.gz SVUIWHPJCHEZHY-MOPGFXCFSA-N 2 1 280.415 3.578 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000423297831 330188645 /nfs/dbraw/zinc/18/86/45/330188645.db2.gz MBHRBOKZWATKPK-FZMZJTMJSA-N 2 1 254.805 3.508 20 0 CHADMP CC[C@@H]([NH2+]Cc1cc2ccccc2s1)[C@@H]1CCC[NH2+]1 ZINC000422907079 330159749 /nfs/dbraw/zinc/15/97/49/330159749.db2.gz WKSNZDYREFVXRI-CABCVRRESA-N 2 1 274.433 3.522 20 0 CHADMP CC(C)(C)CC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422937988 330161380 /nfs/dbraw/zinc/16/13/80/330161380.db2.gz KIBTYNAEQBIGCI-JKSUJKDBSA-N 2 1 260.425 3.506 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)C(C)C ZINC000422946738 330161903 /nfs/dbraw/zinc/16/19/03/330161903.db2.gz PDGPAJOAMLDGRW-IKGGRYGDSA-N 2 1 260.425 3.504 20 0 CHADMP Cc1ccc(CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000422983683 330162844 /nfs/dbraw/zinc/16/28/44/330162844.db2.gz UNHBRZHRJVOEIC-WOJBJXKFSA-N 2 1 294.442 3.620 20 0 CHADMP CC(C)C[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422999950 330163779 /nfs/dbraw/zinc/16/37/79/330163779.db2.gz GCRMQWBPXHXRII-XIRDDKMYSA-N 2 1 260.425 3.504 20 0 CHADMP COc1ccccc1[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])c1ccccc1 ZINC000422952340 330164114 /nfs/dbraw/zinc/16/41/14/330164114.db2.gz CGDSCMIKGMTIAF-ZRGWGRIASA-N 2 1 298.430 3.500 20 0 CHADMP C[C@H](CCc1ccco1)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422968731 330164470 /nfs/dbraw/zinc/16/44/70/330164470.db2.gz XJGDYCJNVSBZFT-SUMDDJOVSA-N 2 1 298.430 3.684 20 0 CHADMP C[C@H]([NH2+]CC(C)(C)C1CCCCC1)c1c[nH+]ccc1N ZINC000423026586 330165924 /nfs/dbraw/zinc/16/59/24/330165924.db2.gz QHNCPVHMZFIRNI-ZDUSSCGKSA-N 2 1 275.440 3.751 20 0 CHADMP CCCNc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000423078380 330168473 /nfs/dbraw/zinc/16/84/73/330168473.db2.gz VXOVLLAHBJAAAG-MOPGFXCFSA-N 2 1 295.430 3.743 20 0 CHADMP Cc1cc2cc(C[NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)ccc2[nH]1 ZINC000423101151 330170337 /nfs/dbraw/zinc/17/03/37/330170337.db2.gz CNRPJWGKGQKFQA-IEBWSBKVSA-N 2 1 291.398 3.711 20 0 CHADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000423121350 330171044 /nfs/dbraw/zinc/17/10/44/330171044.db2.gz IKTFDIGLAXSWDG-GRYCIOLGSA-N 2 1 284.856 3.638 20 0 CHADMP FC1(F)CCC[C@@H]1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423158856 330173550 /nfs/dbraw/zinc/17/35/50/330173550.db2.gz XEPOMSAQAHPDTD-OWCLPIDISA-N 2 1 294.389 3.505 20 0 CHADMP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423160115 330173586 /nfs/dbraw/zinc/17/35/86/330173586.db2.gz GXVMWCXNXLRXFL-LUKYLMHMSA-N 2 1 258.409 3.546 20 0 CHADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1nccc2ccccc21 ZINC000423180445 330175325 /nfs/dbraw/zinc/17/53/25/330175325.db2.gz NRZWWNGWYQDPPZ-AWEZNQCLSA-N 2 1 283.419 3.547 20 0 CHADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)C1CCCCCC1 ZINC000423189975 330175603 /nfs/dbraw/zinc/17/56/03/330175603.db2.gz QLJJNPOCNUSHMD-INIZCTEOSA-N 2 1 289.467 3.510 20 0 CHADMP COc1cc([C@H](C)[NH2+]CC2([NH3+])CCCCCC2)ccc1F ZINC000423207643 330177291 /nfs/dbraw/zinc/17/72/91/330177291.db2.gz XXZBXHWDUXTLBW-ZDUSSCGKSA-N 2 1 294.414 3.537 20 0 CHADMP C[NH2+]CCC[NH2+][C@@H](C)c1cc2c(ccc3ccccc23)o1 ZINC000423208515 330177591 /nfs/dbraw/zinc/17/75/91/330177591.db2.gz YWGJLXCEVNNWDX-ZDUSSCGKSA-N 2 1 282.387 3.846 20 0 CHADMP CC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1ccc(Cl)s1 ZINC000423259390 330183431 /nfs/dbraw/zinc/18/34/31/330183431.db2.gz DPTVENJXPXRWPN-MNOVXSKESA-N 2 1 274.861 3.816 20 0 CHADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000423258482 330183462 /nfs/dbraw/zinc/18/34/62/330183462.db2.gz BODAGHORSNNLMJ-NOZJJQNGSA-N 2 1 275.223 3.627 20 0 CHADMP CCC[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1ccsc1 ZINC000423262699 330183671 /nfs/dbraw/zinc/18/36/71/330183671.db2.gz NDZQRLVWPRSLTM-ZIAGYGMSSA-N 2 1 254.443 3.552 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000423260680 330183813 /nfs/dbraw/zinc/18/38/13/330183813.db2.gz IBKIJYXWVUEVJN-BHYGNILZSA-N 2 1 294.870 3.939 20 0 CHADMP CCC[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)c1ccsc1 ZINC000423262697 330183871 /nfs/dbraw/zinc/18/38/71/330183871.db2.gz NDZQRLVWPRSLTM-UONOGXRCSA-N 2 1 254.443 3.552 20 0 CHADMP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423265139 330184087 /nfs/dbraw/zinc/18/40/87/330184087.db2.gz ATVRAIVWVYSBDW-UGSOOPFHSA-N 2 1 299.462 3.551 20 0 CHADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(-c2cccs2)cc1 ZINC000423275041 330184971 /nfs/dbraw/zinc/18/49/71/330184971.db2.gz LIWRQXDHAUSTCW-MLGOLLRUSA-N 2 1 286.444 3.803 20 0 CHADMP [NH3+]C[C@H]([NH2+][C@H]1CCC[C@@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000423281318 330185300 /nfs/dbraw/zinc/18/53/00/330185300.db2.gz UGAIKEJKVSPSMJ-PVAVHDDUSA-N 2 1 292.854 3.693 20 0 CHADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](c1ccccc1)c1ccccc1C ZINC000423283065 330185862 /nfs/dbraw/zinc/18/58/62/330185862.db2.gz WZZUFZUFHWGAAY-KXBFYZLASA-N 2 1 282.431 3.530 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cc(C)sc1C ZINC000423287011 330185983 /nfs/dbraw/zinc/18/59/83/330185983.db2.gz JWEQFRFEKBMBHF-LLVKDONJSA-N 2 1 254.443 3.533 20 0 CHADMP CC(C)([NH3+])C[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000423288204 330186016 /nfs/dbraw/zinc/18/60/16/330186016.db2.gz QYOKLFLOBKGGLR-GFCCVEGCSA-N 2 1 284.856 3.594 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(SC)c(F)c1 ZINC000423287545 330186195 /nfs/dbraw/zinc/18/61/95/330186195.db2.gz MWMVMXCDDZBMRW-NSHDSACASA-N 2 1 284.444 3.716 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(SC)c(F)c1 ZINC000423297359 330188637 /nfs/dbraw/zinc/18/86/37/330188637.db2.gz JXVYZNVRFCBJBL-DGCLKSJQSA-N 2 1 284.444 3.716 20 0 CHADMP [NH3+]C1(C[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)CCC1 ZINC000423315519 330189762 /nfs/dbraw/zinc/18/97/62/330189762.db2.gz AVMFFPWPNNIDAC-CQSZACIVSA-N 2 1 299.245 3.916 20 0 CHADMP CCC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000423325550 330195643 /nfs/dbraw/zinc/19/56/43/330195643.db2.gz QECHFYQMCDITRD-GJZGRUSLSA-N 2 1 266.816 3.508 20 0 CHADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000423407758 330197145 /nfs/dbraw/zinc/19/71/45/330197145.db2.gz WJHHWJIPAICANT-IIMNLJJBSA-N 2 1 299.245 3.568 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC[NH2+]1 ZINC000423379312 330198925 /nfs/dbraw/zinc/19/89/25/330198925.db2.gz NBBOAGNJMBIRBK-MPKXVKKWSA-N 2 1 296.867 3.607 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCSc3ccc(Cl)cc32)CC[NH2+]1 ZINC000423379314 330199099 /nfs/dbraw/zinc/19/90/99/330199099.db2.gz NBBOAGNJMBIRBK-QKCSRTOESA-N 2 1 296.867 3.607 20 0 CHADMP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000423436612 330201463 /nfs/dbraw/zinc/20/14/63/330201463.db2.gz FKHVSCRAOZTZRS-KFWWJZLASA-N 2 1 298.430 3.749 20 0 CHADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2)s1 ZINC000423446999 330202354 /nfs/dbraw/zinc/20/23/54/330202354.db2.gz OLWHTZMXFFACDP-UPJWGTAASA-N 2 1 274.433 3.801 20 0 CHADMP CC(C)Sc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000423447414 330202540 /nfs/dbraw/zinc/20/25/40/330202540.db2.gz OXNKEEAASZKYHD-XQQFMLRXSA-N 2 1 266.454 3.573 20 0 CHADMP CC[C@H]([NH3+])C[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1 ZINC000423465615 330204388 /nfs/dbraw/zinc/20/43/88/330204388.db2.gz MURSPONCDUXHSO-GJZGRUSLSA-N 2 1 266.816 3.508 20 0 CHADMP Cc1nc([C@@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)cs1 ZINC000423512150 330209410 /nfs/dbraw/zinc/20/94/10/330209410.db2.gz OFLMQZQYKCNDAJ-DOMZBBRYSA-N 2 1 289.448 3.582 20 0 CHADMP Cc1cc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)c(C)s1 ZINC000423532386 330210393 /nfs/dbraw/zinc/21/03/93/330210393.db2.gz QZWCLXSCXXBHGA-IAQYHMDHSA-N 2 1 266.454 3.533 20 0 CHADMP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000423532147 330210415 /nfs/dbraw/zinc/21/04/15/330210415.db2.gz UVDGICUSIAOUIW-GFCCVEGCSA-N 2 1 296.842 3.531 20 0 CHADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(Cl)cc1 ZINC000423535292 330210520 /nfs/dbraw/zinc/21/05/20/330210520.db2.gz XHEHSINUNKLOIU-XHDPSFHLSA-N 2 1 266.816 3.508 20 0 CHADMP FC(F)c1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000527228436 330239375 /nfs/dbraw/zinc/23/93/75/330239375.db2.gz IYIYZTJXFOVBOL-UHFFFAOYSA-N 2 1 294.389 3.731 20 0 CHADMP Clc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000527794849 330283782 /nfs/dbraw/zinc/28/37/82/330283782.db2.gz AECZTRLHCMCOFI-HLLBOEOZSA-N 2 1 290.838 3.544 20 0 CHADMP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000424188948 330322075 /nfs/dbraw/zinc/32/20/75/330322075.db2.gz CTQVFVMBMJQVCC-MVJPYGJCSA-N 2 1 298.474 3.818 20 0 CHADMP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000424188948 330322076 /nfs/dbraw/zinc/32/20/76/330322076.db2.gz CTQVFVMBMJQVCC-MVJPYGJCSA-N 2 1 298.474 3.818 20 0 CHADMP CCCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534927 330330059 /nfs/dbraw/zinc/33/00/59/330330059.db2.gz WJJLQZXHTXKZKN-NVXWUHKLSA-N 2 1 274.452 3.632 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C1CCC1)C1CCCCC1 ZINC000424276982 330333612 /nfs/dbraw/zinc/33/36/12/330333612.db2.gz ZPCVZOBXXXFJIY-QGZVFWFLSA-N 2 1 275.440 3.530 20 0 CHADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000045692236 330348686 /nfs/dbraw/zinc/34/86/86/330348686.db2.gz PBZHJZWUMBNEJM-BZOOQXSSSA-N 2 1 294.870 3.906 20 0 CHADMP CC[NH+](CC)C[C@@H](C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000045693791 330348776 /nfs/dbraw/zinc/34/87/76/330348776.db2.gz GHRQBOMHEPIGRA-JKSUJKDBSA-N 2 1 262.441 3.500 20 0 CHADMP CC[C@@H]1CCC[NH+]1CCCCC[N@@H+]1CCC[C@@H]1CC ZINC000533287201 330355821 /nfs/dbraw/zinc/35/58/21/330355821.db2.gz WRECPVZQMHTEBA-CALCHBBNSA-N 2 1 266.473 3.906 20 0 CHADMP CC[C@@H]1CCC[N@H+]1CCCCC[NH+]1CCC[C@@H]1CC ZINC000533287201 330355822 /nfs/dbraw/zinc/35/58/22/330355822.db2.gz WRECPVZQMHTEBA-CALCHBBNSA-N 2 1 266.473 3.906 20 0 CHADMP CC[C@@H]1CCC[N@@H+]1CCCCC[NH+]1CCC[C@@H]1CC ZINC000533287201 330355823 /nfs/dbraw/zinc/35/58/23/330355823.db2.gz WRECPVZQMHTEBA-CALCHBBNSA-N 2 1 266.473 3.906 20 0 CHADMP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000119150187 330371373 /nfs/dbraw/zinc/37/13/73/330371373.db2.gz IFVMATPREAFGIY-HFQYIWAZSA-N 2 1 292.854 3.675 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCCC(C)(C)C ZINC000119512385 330375199 /nfs/dbraw/zinc/37/51/99/330375199.db2.gz QBUADLPCAWEPFD-ILXRZTDVSA-N 2 1 254.462 3.521 20 0 CHADMP C[NH+](C)C1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000120136826 330385236 /nfs/dbraw/zinc/38/52/36/330385236.db2.gz NNKJIYDLCRJNTA-UHFFFAOYSA-N 2 1 294.442 3.880 20 0 CHADMP CC[N@H+](CCCCn1cc[nH+]c1C)[C@H]1CCCC[C@@H]1C ZINC000120087532 330385410 /nfs/dbraw/zinc/38/54/10/330385410.db2.gz SBASQQAVRUYWGT-RDJZCZTQSA-N 2 1 277.456 3.872 20 0 CHADMP CC[N@@H+](CCCCn1cc[nH+]c1C)[C@H]1CCCC[C@@H]1C ZINC000120087532 330385411 /nfs/dbraw/zinc/38/54/11/330385411.db2.gz SBASQQAVRUYWGT-RDJZCZTQSA-N 2 1 277.456 3.872 20 0 CHADMP CC[C@H]1CCCC[C@H]1[N@@H+](C)CCCCn1ccnc1C ZINC000120780912 330391407 /nfs/dbraw/zinc/39/14/07/330391407.db2.gz DZZVGQCRIKNCSP-DLBZAZTESA-N 2 1 277.456 3.872 20 0 CHADMP CC[C@H]1CCCC[C@H]1[N@H+](C)CCCCn1cc[nH+]c1C ZINC000120780912 330391408 /nfs/dbraw/zinc/39/14/08/330391408.db2.gz DZZVGQCRIKNCSP-DLBZAZTESA-N 2 1 277.456 3.872 20 0 CHADMP CC[C@H]1CCCC[C@H]1[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000120780912 330391409 /nfs/dbraw/zinc/39/14/09/330391409.db2.gz DZZVGQCRIKNCSP-DLBZAZTESA-N 2 1 277.456 3.872 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)C(C)(C)c1ccccc1 ZINC000537053576 330395248 /nfs/dbraw/zinc/39/52/48/330395248.db2.gz WMJBBVDNFQJZPL-WMZOPIPTSA-N 2 1 288.479 3.817 20 0 CHADMP CC(C)([NH2+]CCC[NH+]1CCCCC1)c1ccccc1F ZINC000429251815 330541095 /nfs/dbraw/zinc/54/10/95/330541095.db2.gz DZTOKRPUGFTELG-UHFFFAOYSA-N 2 1 278.415 3.526 20 0 CHADMP CC(C)[C@@H](C[NH2+]C1CCC(C(F)F)CC1)[NH+]1CCCC1 ZINC000442723854 330780836 /nfs/dbraw/zinc/78/08/36/330780836.db2.gz XWFKHYXKNQWOIF-YMAMQOFZSA-N 2 1 288.426 3.520 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C2CC2)cc1 ZINC000449742871 330947620 /nfs/dbraw/zinc/94/76/20/330947620.db2.gz RUSNQIJLVJINIZ-FMEYXAORSA-N 2 1 295.430 3.877 20 0 CHADMP CC(C)[C@@H](C[NH2+][C@@H](C)CCCC(F)(F)F)[NH+]1CCCC1 ZINC000163238866 331007249 /nfs/dbraw/zinc/00/72/49/331007249.db2.gz LZFVTHGWEFURTI-UONOGXRCSA-N 2 1 294.405 3.818 20 0 CHADMP C[N@@H+](CC/C=C/c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000450981933 331010015 /nfs/dbraw/zinc/01/00/15/331010015.db2.gz JINROCMYKOTYJC-UBIMOXSOSA-N 2 1 284.447 3.647 20 0 CHADMP C[NH+](CC/C=C/c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000450981933 331010016 /nfs/dbraw/zinc/01/00/16/331010016.db2.gz JINROCMYKOTYJC-UBIMOXSOSA-N 2 1 284.447 3.647 20 0 CHADMP C[NH+](CC/C=C/c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000450981933 331010017 /nfs/dbraw/zinc/01/00/17/331010017.db2.gz JINROCMYKOTYJC-UBIMOXSOSA-N 2 1 284.447 3.647 20 0 CHADMP CC[N@H+]1CCC[C@H]1CN[C@@H](C)c1ccccc1SC ZINC000194834643 331063282 /nfs/dbraw/zinc/06/32/82/331063282.db2.gz SZVPIRQCQXPVLN-KBPBESRZSA-N 2 1 278.465 3.543 20 0 CHADMP C[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2sccc21 ZINC000453058869 331085317 /nfs/dbraw/zinc/08/53/17/331085317.db2.gz ABXASFWYJFHPHJ-LRDDRELGSA-N 2 1 290.476 3.903 20 0 CHADMP CCC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)C1CCC1 ZINC000453111666 331090121 /nfs/dbraw/zinc/09/01/21/331090121.db2.gz CKBWOSJRNDLGJX-MRXNPFEDSA-N 2 1 263.429 3.530 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000453239859 331105723 /nfs/dbraw/zinc/10/57/23/331105723.db2.gz TURVDSCWUMWGNG-OSLDLMBLSA-N 2 1 290.426 3.521 20 0 CHADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000453251951 331107803 /nfs/dbraw/zinc/10/78/03/331107803.db2.gz GQDNXCCJKIFGGZ-VBHSOAQHSA-N 2 1 290.426 3.521 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000453251951 331107804 /nfs/dbraw/zinc/10/78/04/331107804.db2.gz GQDNXCCJKIFGGZ-VBHSOAQHSA-N 2 1 290.426 3.521 20 0 CHADMP CC[C@@H]1C[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453302744 331113409 /nfs/dbraw/zinc/11/34/09/331113409.db2.gz ARIFAHQVVOTXKM-UJMXGEILSA-N 2 1 298.474 3.818 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000453358203 331122104 /nfs/dbraw/zinc/12/21/04/331122104.db2.gz IXXQZWYOHAKMNS-XFWGSAIBSA-N 2 1 298.474 3.533 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000453358203 331122105 /nfs/dbraw/zinc/12/21/05/331122105.db2.gz IXXQZWYOHAKMNS-XFWGSAIBSA-N 2 1 298.474 3.533 20 0 CHADMP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(OC)c1 ZINC000453388628 331127043 /nfs/dbraw/zinc/12/70/43/331127043.db2.gz BTRZMQJSMRPJJK-SFHVURJKSA-N 2 1 290.451 3.610 20 0 CHADMP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)C1CCCCC1 ZINC000453402785 331128876 /nfs/dbraw/zinc/12/88/76/331128876.db2.gz NWSORBRLHXTJGU-QGZVFWFLSA-N 2 1 266.473 3.809 20 0 CHADMP CSc1ccccc1[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453404303 331129159 /nfs/dbraw/zinc/12/91/59/331129159.db2.gz PNIMITDHJGCGQZ-AWEZNQCLSA-N 2 1 292.492 3.934 20 0 CHADMP Cc1ccccc1[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453404788 331129221 /nfs/dbraw/zinc/12/92/21/331129221.db2.gz PWXKELTVGASOKK-HNNXBMFYSA-N 2 1 260.425 3.520 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@@H]1CCSc2ccccc21)C1CC1 ZINC000453409492 331129713 /nfs/dbraw/zinc/12/97/13/331129713.db2.gz UJYSNBMOYOKJTF-MRXNPFEDSA-N 2 1 290.476 3.688 20 0 CHADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)C1CCCCCC1 ZINC000453409517 331129771 /nfs/dbraw/zinc/12/97/71/331129771.db2.gz UNDKNYJXSYYJHX-HNNXBMFYSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453415016 331130107 /nfs/dbraw/zinc/13/01/07/331130107.db2.gz WYMVIDOWSMRTEF-IPELMVKDSA-N 2 1 286.463 3.643 20 0 CHADMP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(OC)cc1 ZINC000453415037 331130218 /nfs/dbraw/zinc/13/02/18/331130218.db2.gz WZIQSNWYFULJJU-SFHVURJKSA-N 2 1 290.451 3.610 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)C(C)(C)c1ccccc1 ZINC000453416525 331130344 /nfs/dbraw/zinc/13/03/44/331130344.db2.gz XOYJLQZAUAHMAZ-MRXNPFEDSA-N 2 1 288.479 3.817 20 0 CHADMP CCSc1cccc(C[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000453593609 331135247 /nfs/dbraw/zinc/13/52/47/331135247.db2.gz GZRJODVGQYMARH-UHFFFAOYSA-N 2 1 292.492 3.763 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)CCc2cccc(Cl)c2)CC1 ZINC000459320477 331276078 /nfs/dbraw/zinc/27/60/78/331276078.db2.gz YWNBPQZMMPEXCN-UHFFFAOYSA-N 2 1 294.870 3.687 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CC2CCC(F)(F)CC2)C[C@@H]1C ZINC000459372641 331278646 /nfs/dbraw/zinc/27/86/46/331278646.db2.gz ZIKBRORCIYZHQU-ZFWWWQNUSA-N 2 1 288.426 3.617 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CC2CCC(F)(F)CC2)C[C@@H]1C ZINC000459372641 331278647 /nfs/dbraw/zinc/27/86/47/331278647.db2.gz ZIKBRORCIYZHQU-ZFWWWQNUSA-N 2 1 288.426 3.617 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2CCC(F)(F)CC2)C[C@@H]1C ZINC000459372641 331278648 /nfs/dbraw/zinc/27/86/48/331278648.db2.gz ZIKBRORCIYZHQU-ZFWWWQNUSA-N 2 1 288.426 3.617 20 0 CHADMP C[C@H]([N@@H+](CCc1cncn1C)Cc1ccccc1)C(C)(C)C ZINC000459408952 331280212 /nfs/dbraw/zinc/28/02/12/331280212.db2.gz NKAXNCNQCWSYAY-INIZCTEOSA-N 2 1 299.462 3.899 20 0 CHADMP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000459418175 331280546 /nfs/dbraw/zinc/28/05/46/331280546.db2.gz FQONOWJDVXALEU-BEFAXECRSA-N 2 1 286.463 3.652 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(C2CC2)cc1 ZINC000459557224 331287618 /nfs/dbraw/zinc/28/76/18/331287618.db2.gz IYEUZGKBVOEVTD-UHFFFAOYSA-N 2 1 283.419 3.591 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(C2CC2)cc1 ZINC000459557224 331287619 /nfs/dbraw/zinc/28/76/19/331287619.db2.gz IYEUZGKBVOEVTD-UHFFFAOYSA-N 2 1 283.419 3.591 20 0 CHADMP CC[C@H](Cc1ccc(C)cc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459797931 331301560 /nfs/dbraw/zinc/30/15/60/331301560.db2.gz XGHOEMKGIJKEBM-RBUKOAKNSA-N 2 1 288.479 3.638 20 0 CHADMP Cc1ccc2c(C)cc(N(C)CC3CC[NH+](C)CC3)[nH+]c2c1 ZINC000460957941 331309475 /nfs/dbraw/zinc/30/94/75/331309475.db2.gz NBZMEEIXGFUVLL-UHFFFAOYSA-N 2 1 297.446 3.630 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)[C@@H](C)C1 ZINC000462118270 331317643 /nfs/dbraw/zinc/31/76/43/331317643.db2.gz DKZZEUADNVTNLG-AVEIZBFRSA-N 2 1 278.484 3.665 20 0 CHADMP CC[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)C1 ZINC000462660439 331324803 /nfs/dbraw/zinc/32/48/03/331324803.db2.gz KFKSLCVHTVFZOK-HZPDHXFCSA-N 2 1 266.473 3.809 20 0 CHADMP Cc1cc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1Cl ZINC000462806380 331330039 /nfs/dbraw/zinc/33/00/39/331330039.db2.gz WXPFZQRCBMPNDL-GRDNDAEWSA-N 2 1 294.870 3.509 20 0 CHADMP c1nc2c([nH]1)CC[C@H]([NH2+]Cc1ccc(C3CCCC3)cc1)C2 ZINC000462910966 331334781 /nfs/dbraw/zinc/33/47/81/331334781.db2.gz SNXVZWQEWBMQGU-KRWDZBQOSA-N 2 1 295.430 3.714 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000463444238 331347683 /nfs/dbraw/zinc/34/76/83/331347683.db2.gz MEDCLFYVEXVJLX-HZPDHXFCSA-N 2 1 264.457 3.563 20 0 CHADMP CC[C@H](C[NH2+][C@H](C)C1CCC(F)(F)CC1)[NH+]1CCCC1 ZINC000474058985 331565328 /nfs/dbraw/zinc/56/53/28/331565328.db2.gz OKLPMLUSVUEAPC-UKRRQHHQSA-N 2 1 288.426 3.664 20 0 CHADMP COc1ccccc1[C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000483875856 331888588 /nfs/dbraw/zinc/88/85/88/331888588.db2.gz ZTBGSGRKJWDZED-INIZCTEOSA-N 2 1 292.467 3.855 20 0 CHADMP c1ccc([C@H]2CCC[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000488425226 332006870 /nfs/dbraw/zinc/00/68/70/332006870.db2.gz TXSMEDUKBCMXJE-PKOBYXMFSA-N 2 1 298.474 3.929 20 0 CHADMP CC[C@@H]1C[C@H](C)C[NH+]1CCC[N@@H+]1C[C@@H](C)C[C@@H]1CC ZINC000489296637 332045904 /nfs/dbraw/zinc/04/59/04/332045904.db2.gz SKGPLVRTXLAOLG-LUKYLMHMSA-N 2 1 266.473 3.617 20 0 CHADMP CC[C@@H]1C[C@H](C)C[N@H+]1CCC[NH+]1C[C@@H](C)C[C@@H]1CC ZINC000489296637 332045905 /nfs/dbraw/zinc/04/59/05/332045905.db2.gz SKGPLVRTXLAOLG-LUKYLMHMSA-N 2 1 266.473 3.617 20 0 CHADMP CC[C@@H]1C[C@H](C)C[N@@H+]1CCC[NH+]1C[C@@H](C)C[C@@H]1CC ZINC000489296637 332045906 /nfs/dbraw/zinc/04/59/06/332045906.db2.gz SKGPLVRTXLAOLG-LUKYLMHMSA-N 2 1 266.473 3.617 20 0 CHADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCC[NH+](C)C)CCCO2 ZINC000489548704 332058952 /nfs/dbraw/zinc/05/89/52/332058952.db2.gz GEBQZXWMJRJVEV-QGZVFWFLSA-N 2 1 290.451 3.565 20 0 CHADMP C[C@H](C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)c1cccc(Cl)c1 ZINC000490014429 332076730 /nfs/dbraw/zinc/07/67/30/332076730.db2.gz QEXLJZMDDWFVDQ-RHSMWYFYSA-N 2 1 292.854 3.519 20 0 CHADMP C[C@H](C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)c1cccc(Cl)c1 ZINC000490014429 332076731 /nfs/dbraw/zinc/07/67/31/332076731.db2.gz QEXLJZMDDWFVDQ-RHSMWYFYSA-N 2 1 292.854 3.519 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]3CCC[C@H]31)CCC2 ZINC000490296987 332086160 /nfs/dbraw/zinc/08/61/60/332086160.db2.gz DRKAFNKWIRXELS-FFGOWVMKSA-N 2 1 298.474 3.835 20 0 CHADMP CC(C)=CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491055122 332143503 /nfs/dbraw/zinc/14/35/03/332143503.db2.gz FMHHTACMWMKETI-KRWDZBQOSA-N 2 1 264.457 3.541 20 0 CHADMP C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172575866 335109643 /nfs/dbraw/zinc/10/96/43/335109643.db2.gz ALOWLIIRGSEOAN-YJBOKZPZSA-N 2 1 290.426 3.837 20 0 CHADMP C[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172575866 335109644 /nfs/dbraw/zinc/10/96/44/335109644.db2.gz ALOWLIIRGSEOAN-YJBOKZPZSA-N 2 1 290.426 3.837 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CC1 ZINC000247294781 334278800 /nfs/dbraw/zinc/27/88/00/334278800.db2.gz HPOISCQFILAHMA-DUVNUKRYSA-N 2 1 278.465 3.519 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CC1 ZINC000247294781 334278801 /nfs/dbraw/zinc/27/88/01/334278801.db2.gz HPOISCQFILAHMA-DUVNUKRYSA-N 2 1 278.465 3.519 20 0 CHADMP CC[C@H]1CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000575773356 335113906 /nfs/dbraw/zinc/11/39/06/335113906.db2.gz MOSNZNXTGRXGPT-LPHOPBHVSA-N 2 1 286.463 3.738 20 0 CHADMP CC[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000575773349 335113909 /nfs/dbraw/zinc/11/39/09/335113909.db2.gz MOSNZNXTGRXGPT-APWZRJJASA-N 2 1 286.463 3.738 20 0 CHADMP CC[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000575773358 335113990 /nfs/dbraw/zinc/11/39/90/335113990.db2.gz MOSNZNXTGRXGPT-VQIMIIECSA-N 2 1 286.463 3.738 20 0 CHADMP C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000513525197 333024075 /nfs/dbraw/zinc/02/40/75/333024075.db2.gz JWUDVCSDMFTHDG-VWCPWKCOSA-N 2 1 292.854 3.816 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3ccccc3c2)[C@@H]2CCC[C@@H]21 ZINC000513668373 333030950 /nfs/dbraw/zinc/03/09/50/333030950.db2.gz XNSADEMSFIQZFF-UFYCRDLUSA-N 2 1 294.442 3.802 20 0 CHADMP CC(C)CC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CCC1 ZINC000513697428 333033161 /nfs/dbraw/zinc/03/31/61/333033161.db2.gz NNDXPTVZOQICAB-GVDBMIGSSA-N 2 1 278.484 3.665 20 0 CHADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000513894198 333047589 /nfs/dbraw/zinc/04/75/89/333047589.db2.gz IQCPFWPNKGTSKD-QGZVFWFLSA-N 2 1 278.415 3.695 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000513894198 333047590 /nfs/dbraw/zinc/04/75/90/333047590.db2.gz IQCPFWPNKGTSKD-QGZVFWFLSA-N 2 1 278.415 3.695 20 0 CHADMP CC(C)CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309891346 333050868 /nfs/dbraw/zinc/05/08/68/333050868.db2.gz DUBDXCBVQVOYCN-FUHWJXTLSA-N 2 1 274.452 3.533 20 0 CHADMP CCSc1ccccc1[C@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000517356259 333097899 /nfs/dbraw/zinc/09/78/99/333097899.db2.gz UMQRQUWGQLMVPA-AWEZNQCLSA-N 2 1 280.481 3.837 20 0 CHADMP COc1ccsc1[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000186168478 333156102 /nfs/dbraw/zinc/15/61/02/333156102.db2.gz NDYLTUODFBCVCK-JSGCOSHPSA-N 2 1 298.496 3.774 20 0 CHADMP C[C@@H](CCC1CC1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000186195528 333156343 /nfs/dbraw/zinc/15/63/43/333156343.db2.gz ALDSORIAPMAXEV-INIZCTEOSA-N 2 1 286.463 3.819 20 0 CHADMP COc1ccsc1[C@H](C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000186285993 333157985 /nfs/dbraw/zinc/15/79/85/333157985.db2.gz BGPZVJZHCMMIFK-KGLIPLIRSA-N 2 1 296.480 3.672 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC2CC2)c2ccccc2)C1 ZINC000575850826 335123598 /nfs/dbraw/zinc/12/35/98/335123598.db2.gz OUJIQYLUJKPCQI-PKOBYXMFSA-N 2 1 286.463 3.849 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1csc2ccccc12 ZINC000522010884 333229916 /nfs/dbraw/zinc/22/99/16/333229916.db2.gz GUPXKMJYDBBKAV-UHFFFAOYSA-N 2 1 299.443 3.699 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1csc2ccccc12 ZINC000522010884 333229917 /nfs/dbraw/zinc/22/99/17/333229917.db2.gz GUPXKMJYDBBKAV-UHFFFAOYSA-N 2 1 299.443 3.699 20 0 CHADMP C[C@@H](c1ccccc1Cl)[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000226435450 333260621 /nfs/dbraw/zinc/26/06/21/333260621.db2.gz ATIAKABXKHCMDG-UONOGXRCSA-N 2 1 292.854 3.865 20 0 CHADMP C[C@@H](c1ccccc1Cl)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000226435450 333260623 /nfs/dbraw/zinc/26/06/23/333260623.db2.gz ATIAKABXKHCMDG-UONOGXRCSA-N 2 1 292.854 3.865 20 0 CHADMP CC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H](C)c1cc2ccccc2o1 ZINC000226437124 333260849 /nfs/dbraw/zinc/26/08/49/333260849.db2.gz CBARAJXPEPIUGS-GJZGRUSLSA-N 2 1 286.419 3.815 20 0 CHADMP C[N@@H+](CCc1ccc2ccccc2c1)C[C@@H]1CCC[NH+](C)C1 ZINC000525002655 333394888 /nfs/dbraw/zinc/39/48/88/333394888.db2.gz AIXKTTLZXOHXJT-GOSISDBHSA-N 2 1 296.458 3.656 20 0 CHADMP C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1Cl)C[NH+]1CCCC1 ZINC000062078731 333541986 /nfs/dbraw/zinc/54/19/86/333541986.db2.gz NPWQLMSXTMUCHP-CHWSQXEVSA-N 2 1 298.833 3.862 20 0 CHADMP C[NH+]1CCC([NH2+][C@H]2C[C@H]3CCC(C)(C)c4cccc2c43)CC1 ZINC000538457727 333593791 /nfs/dbraw/zinc/59/37/91/333593791.db2.gz DMCDBEMFPYSMOW-KDOFPFPSSA-N 2 1 298.474 3.970 20 0 CHADMP CC[NH+]1CCC([NH2+]C2CC(C)(C)CC(C)(C)C2)CC1 ZINC000127860230 333636778 /nfs/dbraw/zinc/63/67/78/333636778.db2.gz VLQLIZPFNVPEGY-UHFFFAOYSA-N 2 1 266.473 3.665 20 0 CHADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC000071107470 333843824 /nfs/dbraw/zinc/84/38/24/333843824.db2.gz OCDLAQPZLSMJNV-ZACQAIPSSA-N 2 1 266.473 3.665 20 0 CHADMP CC[N@H+](CCCn1cc[nH+]c1C)Cc1ccccc1Cl ZINC000136362294 334152780 /nfs/dbraw/zinc/15/27/80/334152780.db2.gz GZGYWORZTCDPLG-UHFFFAOYSA-N 2 1 291.826 3.757 20 0 CHADMP CC[N@@H+](CCCn1cc[nH+]c1C)Cc1ccccc1Cl ZINC000136362294 334152781 /nfs/dbraw/zinc/15/27/81/334152781.db2.gz GZGYWORZTCDPLG-UHFFFAOYSA-N 2 1 291.826 3.757 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)s2)[C@@H](C)C1 ZINC000245417739 334191485 /nfs/dbraw/zinc/19/14/85/334191485.db2.gz GGCYYGRZRZAVAY-AAEUAGOBSA-N 2 1 286.872 3.564 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)s2)[C@@H](C)C1 ZINC000245417739 334191486 /nfs/dbraw/zinc/19/14/86/334191486.db2.gz GGCYYGRZRZAVAY-AAEUAGOBSA-N 2 1 286.872 3.564 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Cl)s2)[C@@H](C)C1 ZINC000245417739 334191487 /nfs/dbraw/zinc/19/14/87/334191487.db2.gz GGCYYGRZRZAVAY-AAEUAGOBSA-N 2 1 286.872 3.564 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)s2)[C@@H](C)C1 ZINC000245417739 334191488 /nfs/dbraw/zinc/19/14/88/334191488.db2.gz GGCYYGRZRZAVAY-AAEUAGOBSA-N 2 1 286.872 3.564 20 0 CHADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cc2ccccc2o1 ZINC000247147532 334276488 /nfs/dbraw/zinc/27/64/88/334276488.db2.gz RIHRVXKZEWKKBT-CWRNSKLLSA-N 2 1 286.419 3.956 20 0 CHADMP C1=C[C@H]([N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCCCC1 ZINC000549464169 334194577 /nfs/dbraw/zinc/19/45/77/334194577.db2.gz LEAPTGPBWSVOGO-ZWKOTPCHSA-N 2 1 276.468 3.826 20 0 CHADMP CC[C@H](C)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000246947305 334272298 /nfs/dbraw/zinc/27/22/98/334272298.db2.gz HEGNBKAALXPTRY-UIBIWLFHSA-N 2 1 274.452 3.531 20 0 CHADMP C[C@H](c1cccc(Cl)c1)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000550238836 334217074 /nfs/dbraw/zinc/21/70/74/334217074.db2.gz MDBDWXQBTFPPIF-RHSMWYFYSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000550238836 334217079 /nfs/dbraw/zinc/21/70/79/334217079.db2.gz MDBDWXQBTFPPIF-RHSMWYFYSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000550238836 334217081 /nfs/dbraw/zinc/21/70/81/334217081.db2.gz MDBDWXQBTFPPIF-RHSMWYFYSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000550238836 334217082 /nfs/dbraw/zinc/21/70/82/334217082.db2.gz MDBDWXQBTFPPIF-RHSMWYFYSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000550238836 334217083 /nfs/dbraw/zinc/21/70/83/334217083.db2.gz MDBDWXQBTFPPIF-RHSMWYFYSA-N 2 1 292.854 3.819 20 0 CHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(F)c2F)C1 ZINC000245890190 334223045 /nfs/dbraw/zinc/22/30/45/334223045.db2.gz MCGVOMLGOINEGE-ZIAGYGMSSA-N 2 1 296.405 3.736 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(F)c2F)C1 ZINC000245890190 334223046 /nfs/dbraw/zinc/22/30/46/334223046.db2.gz MCGVOMLGOINEGE-ZIAGYGMSSA-N 2 1 296.405 3.736 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(C)(C)c3ccccc32)CC[N@@H+]1C ZINC000245913191 334223803 /nfs/dbraw/zinc/22/38/03/334223803.db2.gz DOHWLYQXHONYAW-VKJFTORMSA-N 2 1 286.463 3.871 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(C)(C)c3ccccc32)CC[N@H+]1C ZINC000245913191 334223804 /nfs/dbraw/zinc/22/38/04/334223804.db2.gz DOHWLYQXHONYAW-VKJFTORMSA-N 2 1 286.463 3.871 20 0 CHADMP CC1=CC[C@H]([NH2+]CCC[N@H+](C)C2CCCCC2)CC1 ZINC000550884992 334231972 /nfs/dbraw/zinc/23/19/72/334231972.db2.gz APIHUBQBSXHWGQ-INIZCTEOSA-N 2 1 264.457 3.729 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)C(C)(C)C)CC[N@@H+]1C ZINC000247037050 334274425 /nfs/dbraw/zinc/27/44/25/334274425.db2.gz MOCLMHCPXMIUHW-HYVNUMGLSA-N 2 1 274.452 3.846 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)C(C)(C)C)CC[N@H+]1C ZINC000247037050 334274427 /nfs/dbraw/zinc/27/44/27/334274427.db2.gz MOCLMHCPXMIUHW-HYVNUMGLSA-N 2 1 274.452 3.846 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000551007211 334236223 /nfs/dbraw/zinc/23/62/23/334236223.db2.gz ZAUCTLHFJKHYHH-QXCFHYIPSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000551007211 334236225 /nfs/dbraw/zinc/23/62/25/334236225.db2.gz ZAUCTLHFJKHYHH-QXCFHYIPSA-N 2 1 286.463 3.990 20 0 CHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccccc2F)C1 ZINC000247066231 334274855 /nfs/dbraw/zinc/27/48/55/334274855.db2.gz PXNFCIIAOOYWLG-CABCVRRESA-N 2 1 278.415 3.597 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccccc2F)C1 ZINC000247066231 334274856 /nfs/dbraw/zinc/27/48/56/334274856.db2.gz PXNFCIIAOOYWLG-CABCVRRESA-N 2 1 278.415 3.597 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000247063667 334274859 /nfs/dbraw/zinc/27/48/59/334274859.db2.gz NYDYZZBQWFFYFT-CVEARBPZSA-N 2 1 296.499 3.577 20 0 CHADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000551175548 334240000 /nfs/dbraw/zinc/24/00/00/334240000.db2.gz MNAMWXPFVMJBEG-JFRXWTBNSA-N 2 1 286.463 3.848 20 0 CHADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000551175548 334240001 /nfs/dbraw/zinc/24/00/01/334240001.db2.gz MNAMWXPFVMJBEG-JFRXWTBNSA-N 2 1 286.463 3.848 20 0 CHADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(Cl)s1 ZINC000247076944 334275222 /nfs/dbraw/zinc/27/52/22/334275222.db2.gz NJGHDIDZJIHRAU-SDDRHHMPSA-N 2 1 286.872 3.925 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CC(C(C)C)C(C)C)[C@H](C)C1 ZINC000551553292 334254024 /nfs/dbraw/zinc/25/40/24/334254024.db2.gz ZSPNEYWSGFTDTR-NVXWUHKLSA-N 2 1 268.489 3.577 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CC(C(C)C)C(C)C)[C@H](C)C1 ZINC000551553292 334254025 /nfs/dbraw/zinc/25/40/25/334254025.db2.gz ZSPNEYWSGFTDTR-NVXWUHKLSA-N 2 1 268.489 3.577 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC(C(C)C)C(C)C)[C@H](C)C1 ZINC000551553292 334254026 /nfs/dbraw/zinc/25/40/26/334254026.db2.gz ZSPNEYWSGFTDTR-NVXWUHKLSA-N 2 1 268.489 3.577 20 0 CHADMP COc1cccc([C@H](C)[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000246471381 334259174 /nfs/dbraw/zinc/25/91/74/334259174.db2.gz GVYUFSDKAQNGDD-DOTOQJQBSA-N 2 1 290.451 3.562 20 0 CHADMP COc1cccc([C@H](C)[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000246471381 334259175 /nfs/dbraw/zinc/25/91/75/334259175.db2.gz GVYUFSDKAQNGDD-DOTOQJQBSA-N 2 1 290.451 3.562 20 0 CHADMP COc1cccc([C@H](C)[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000246471381 334259176 /nfs/dbraw/zinc/25/91/76/334259176.db2.gz GVYUFSDKAQNGDD-DOTOQJQBSA-N 2 1 290.451 3.562 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCC2(C)C)C1 ZINC000551793749 334261799 /nfs/dbraw/zinc/26/17/99/334261799.db2.gz PUKVECNOBLEDSJ-XHSDSOJGSA-N 2 1 266.473 3.523 20 0 CHADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(-c3ccccc3)o2)C1 ZINC000247213599 334277428 /nfs/dbraw/zinc/27/74/28/334277428.db2.gz XCZRATIUXAAFFU-CVEARBPZSA-N 2 1 298.430 3.939 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(-c3ccccc3)o2)C1 ZINC000247213599 334277430 /nfs/dbraw/zinc/27/74/30/334277430.db2.gz XCZRATIUXAAFFU-CVEARBPZSA-N 2 1 298.430 3.939 20 0 CHADMP CC1CC([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000552063714 334283769 /nfs/dbraw/zinc/28/37/69/334283769.db2.gz JWKIVIFNOGLXLG-UHFFFAOYSA-N 2 1 286.463 3.818 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000247521991 334284162 /nfs/dbraw/zinc/28/41/62/334284162.db2.gz NMNAUPQUMMLZGH-LPHOPBHVSA-N 2 1 286.463 3.728 20 0 CHADMP CCC[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248000977 334293264 /nfs/dbraw/zinc/29/32/64/334293264.db2.gz KJBOCRDQPWUCBA-UHOSZYNNSA-N 2 1 288.479 3.860 20 0 CHADMP CCC[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248000977 334293266 /nfs/dbraw/zinc/29/32/66/334293266.db2.gz KJBOCRDQPWUCBA-UHOSZYNNSA-N 2 1 288.479 3.860 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000552239557 334307040 /nfs/dbraw/zinc/30/70/40/334307040.db2.gz XIWMNJJQNBZMDL-LEAZDLGRSA-N 2 1 298.474 3.569 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cccc(O)c1 ZINC000249511996 334335145 /nfs/dbraw/zinc/33/51/45/334335145.db2.gz IKAXWSXHDYYZTD-HZPDHXFCSA-N 2 1 290.451 3.697 20 0 CHADMP Cc1ccccc1[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000251144481 334357194 /nfs/dbraw/zinc/35/71/94/334357194.db2.gz DETXMEJAXMRPJH-IAGOWNOFSA-N 2 1 274.452 3.910 20 0 CHADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000251798970 334369801 /nfs/dbraw/zinc/36/98/01/334369801.db2.gz GFLGAJHXMDNPEN-COXVUDFISA-N 2 1 278.415 3.595 20 0 CHADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000251798970 334369803 /nfs/dbraw/zinc/36/98/03/334369803.db2.gz GFLGAJHXMDNPEN-COXVUDFISA-N 2 1 278.415 3.595 20 0 CHADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000252194118 334376216 /nfs/dbraw/zinc/37/62/16/334376216.db2.gz VHNOWRQDYJNYHV-ZCRFILTFSA-N 2 1 278.484 3.806 20 0 CHADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000252194118 334376218 /nfs/dbraw/zinc/37/62/18/334376218.db2.gz VHNOWRQDYJNYHV-ZCRFILTFSA-N 2 1 278.484 3.806 20 0 CHADMP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000252194114 334376233 /nfs/dbraw/zinc/37/62/33/334376233.db2.gz VHNOWRQDYJNYHV-MKXAEBJUSA-N 2 1 278.484 3.806 20 0 CHADMP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000252194114 334376234 /nfs/dbraw/zinc/37/62/34/334376234.db2.gz VHNOWRQDYJNYHV-MKXAEBJUSA-N 2 1 278.484 3.806 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000252440348 334380083 /nfs/dbraw/zinc/38/00/83/334380083.db2.gz ZZFBGADWBLBXJW-CVEARBPZSA-N 2 1 286.463 3.558 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)C1 ZINC000252438603 334380133 /nfs/dbraw/zinc/38/01/33/334380133.db2.gz DPTKTCXLTPRJLI-NZSAHSFTSA-N 2 1 286.463 3.644 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC(C)(C)c3ccccc32)C1 ZINC000252439538 334380210 /nfs/dbraw/zinc/38/02/10/334380210.db2.gz PYXDVDZFWHUHCQ-QAPCUYQASA-N 2 1 286.463 3.731 20 0 CHADMP Clc1cc(Cl)cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252674365 334385062 /nfs/dbraw/zinc/38/50/62/334385062.db2.gz QOWAVWQDHLBWKK-GJZGRUSLSA-N 2 1 299.245 3.710 20 0 CHADMP Clc1cc(Cl)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252674365 334385065 /nfs/dbraw/zinc/38/50/65/334385065.db2.gz QOWAVWQDHLBWKK-GJZGRUSLSA-N 2 1 299.245 3.710 20 0 CHADMP CCCC[C@@H](C)[C@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000566525304 334654270 /nfs/dbraw/zinc/65/42/70/334654270.db2.gz LRENMDKWOHGARE-SJORKVTESA-N 2 1 298.515 3.680 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(C)C)cc1 ZINC000159053136 334818890 /nfs/dbraw/zinc/81/88/90/334818890.db2.gz VUKLQPKWIGSGJM-ZIAGYGMSSA-N 2 1 271.408 3.876 20 0 CHADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000576833729 335253674 /nfs/dbraw/zinc/25/36/74/335253674.db2.gz BXKLCFLGDCIHBC-IBGZPJMESA-N 2 1 297.446 3.874 20 0 CHADMP CC1=CC[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000577394966 335348017 /nfs/dbraw/zinc/34/80/17/335348017.db2.gz HBULFIVSJOUFQF-RTBURBONSA-N 2 1 284.447 3.597 20 0 CHADMP CC[C@@H]1CCC[C@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000577542791 335366841 /nfs/dbraw/zinc/36/68/41/335366841.db2.gz ITCVKVMOEVSNJK-WXCOAYGQSA-N 2 1 278.484 3.760 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000577542791 335366843 /nfs/dbraw/zinc/36/68/43/335366843.db2.gz ITCVKVMOEVSNJK-WXCOAYGQSA-N 2 1 278.484 3.760 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000577542791 335366844 /nfs/dbraw/zinc/36/68/44/335366844.db2.gz ITCVKVMOEVSNJK-WXCOAYGQSA-N 2 1 278.484 3.760 20 0 CHADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000177836452 335403557 /nfs/dbraw/zinc/40/35/57/335403557.db2.gz OMXQDYGHSDFMJZ-CYBMUJFWSA-N 2 1 296.405 3.736 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCc2ccc(C)cc21 ZINC000178957502 335465456 /nfs/dbraw/zinc/46/54/56/335465456.db2.gz AUTKJVPAEHYMJQ-DNVCBOLYSA-N 2 1 297.446 3.803 20 0 CHADMP Cc1cc[nH+]c(N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000382050454 336080994 /nfs/dbraw/zinc/08/09/94/336080994.db2.gz MNZDFXUZNVSEDI-WMZOPIPTSA-N 2 1 295.430 3.713 20 0 CHADMP Cc1cc[nH+]c(N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000382050454 336080995 /nfs/dbraw/zinc/08/09/95/336080995.db2.gz MNZDFXUZNVSEDI-WMZOPIPTSA-N 2 1 295.430 3.713 20 0 CHADMP CC[C@@H]([NH2+]CCC[NH+](CC)CC)c1ccsc1 ZINC000382132749 336082644 /nfs/dbraw/zinc/08/26/44/336082644.db2.gz PAMZSTYOLNTFCW-CQSZACIVSA-N 2 1 254.443 3.521 20 0 CHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000043389872 518708608 /nfs/dbraw/zinc/70/86/08/518708608.db2.gz LVNGEXCVAORCCR-UHFFFAOYSA-N 2 1 298.833 3.832 20 0 CHADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000061325374 519673277 /nfs/dbraw/zinc/67/32/77/519673277.db2.gz KPXUQYFKMUNIHZ-OAHLLOKOSA-N 2 1 278.465 3.588 20 0 CHADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccsc2)CC1 ZINC000050343283 520578356 /nfs/dbraw/zinc/57/83/56/520578356.db2.gz IUVQFSZLNSBSDU-ZDUSSCGKSA-N 2 1 266.454 3.663 20 0 CHADMP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccco2)CC1 ZINC000069706402 521024975 /nfs/dbraw/zinc/02/49/75/521024975.db2.gz JUXMZXVMUAONDC-UHFFFAOYSA-N 2 1 298.430 3.801 20 0 CHADMP CC[N@H+](CCCn1cc[nH+]c1C)[C@@H](C)Cc1ccsc1 ZINC000275148994 521043722 /nfs/dbraw/zinc/04/37/22/521043722.db2.gz PBUYWDWMQQIBBK-AWEZNQCLSA-N 2 1 291.464 3.596 20 0 CHADMP CC[N@@H+](CCCn1cc[nH+]c1C)[C@@H](C)Cc1ccsc1 ZINC000275148994 521043730 /nfs/dbraw/zinc/04/37/30/521043730.db2.gz PBUYWDWMQQIBBK-AWEZNQCLSA-N 2 1 291.464 3.596 20 0 CHADMP CC[N@H+](Cc1ccc2ccccc2c1)C[C@H]1CCC[NH2+]C1 ZINC000226436223 521336031 /nfs/dbraw/zinc/33/60/31/521336031.db2.gz UAHZWZLRFZCLHG-KRWDZBQOSA-N 2 1 282.431 3.661 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC000280173476 521580347 /nfs/dbraw/zinc/58/03/47/521580347.db2.gz GFDMJSFDQHUDAN-CRAIPNDOSA-N 2 1 290.426 3.536 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC000040592331 522084446 /nfs/dbraw/zinc/08/44/46/522084446.db2.gz PEUNAVKHVPHPBT-JKSUJKDBSA-N 2 1 274.452 3.802 20 0 CHADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277099012 523098589 /nfs/dbraw/zinc/09/85/89/523098589.db2.gz GIZWALAZHMFSLN-IRXDYDNUSA-N 2 1 260.425 3.554 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000037140918 524045711 /nfs/dbraw/zinc/04/57/11/524045711.db2.gz ITXRKWPZZJWPIS-AWEZNQCLSA-N 2 1 272.436 3.526 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)c(Cl)c1 ZINC000037140821 525292672 /nfs/dbraw/zinc/29/26/72/525292672.db2.gz UWUFOQMSXVWOJY-NSHDSACASA-N 2 1 296.817 3.757 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2ccccc2o1 ZINC000130241342 525571375 /nfs/dbraw/zinc/57/13/75/525571375.db2.gz DILJQEMXINZUNJ-NUEKZKHPSA-N 2 1 284.403 3.710 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc2ccccc2o1 ZINC000130241342 525571383 /nfs/dbraw/zinc/57/13/83/525571383.db2.gz DILJQEMXINZUNJ-NUEKZKHPSA-N 2 1 284.403 3.710 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)s1 ZINC000125725393 525731335 /nfs/dbraw/zinc/73/13/35/525731335.db2.gz MAPPAFRONWLPDY-HUUCEWRRSA-N 2 1 280.481 3.828 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)o1 ZINC000157953019 525918739 /nfs/dbraw/zinc/91/87/39/525918739.db2.gz FMYMWMCDGNEQMZ-HOCLYGCPSA-N 2 1 278.440 3.751 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277082981 526079518 /nfs/dbraw/zinc/07/95/18/526079518.db2.gz FJKLWDXJJQNWIW-CZUORRHYSA-N 2 1 280.843 3.817 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277082981 526079522 /nfs/dbraw/zinc/07/95/22/526079522.db2.gz FJKLWDXJJQNWIW-CZUORRHYSA-N 2 1 280.843 3.817 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277256787 526114878 /nfs/dbraw/zinc/11/48/78/526114878.db2.gz QPPAQLNFDPVYFM-KGLIPLIRSA-N 2 1 280.843 3.817 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277256787 526114887 /nfs/dbraw/zinc/11/48/87/526114887.db2.gz QPPAQLNFDPVYFM-KGLIPLIRSA-N 2 1 280.843 3.817 20 0 CHADMP c1cc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)ccc2s1 ZINC000289913305 526448911 /nfs/dbraw/zinc/44/89/11/526448911.db2.gz UMERMMWMDBESDZ-JKSUJKDBSA-N 2 1 286.444 3.618 20 0 CHADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+][C@@H]1CCCCc3ccccc31)C2 ZINC000275548548 526536949 /nfs/dbraw/zinc/53/69/49/526536949.db2.gz NEGQLCOQNYUVQR-MAUKXSAKSA-N 2 1 295.430 3.503 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000127431444 527422503 /nfs/dbraw/zinc/42/25/03/527422503.db2.gz AOFSVRSPFVTESY-GOSISDBHSA-N 2 1 283.419 3.713 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(SC)cc2)C[C@@H]1C ZINC000353749026 527835560 /nfs/dbraw/zinc/83/55/60/527835560.db2.gz RQNCJCZFQLSNPE-HOCLYGCPSA-N 2 1 292.492 3.713 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(SC)cc2)C[C@@H]1C ZINC000353749026 527835565 /nfs/dbraw/zinc/83/55/65/527835565.db2.gz RQNCJCZFQLSNPE-HOCLYGCPSA-N 2 1 292.492 3.713 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(SC)cc2)C[C@@H]1C ZINC000353749026 527835570 /nfs/dbraw/zinc/83/55/70/527835570.db2.gz RQNCJCZFQLSNPE-HOCLYGCPSA-N 2 1 292.492 3.713 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC(C)(C)C[C@H]2C)C1 ZINC000193130918 529014940 /nfs/dbraw/zinc/01/49/40/529014940.db2.gz LSBLBWSLDWCSGE-PMPSAXMXSA-N 2 1 266.473 3.521 20 0 CHADMP Cc1ccc(N2CCCC[C@@H]2CC[NH+]2CCCC2)[nH+]c1C ZINC001165047199 721968743 /nfs/dbraw/zinc/96/87/43/721968743.db2.gz JFUFTGJJFKCFQM-QGZVFWFLSA-N 2 1 287.451 3.543 20 0 CHADMP CCCCC[C@H](CC)[NH2+][C@@H](C[NH3+])Cc1ccccc1 ZINC001246265046 1131436907 /nfs/dbraw/zinc/43/69/07/1131436907.db2.gz HOGBOAJYSZQFDI-DLBZAZTESA-N 2 1 262.441 3.505 20 0 CHADMP C[C@@H](C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C)C(F)(F)F ZINC001208891723 1117953166 /nfs/dbraw/zinc/95/31/66/1117953166.db2.gz LATPWRYRVBLGHV-MELADBBJSA-N 2 1 292.389 3.524 20 0 CHADMP CC[C@H](Cc1cccs1)[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001116295393 1120077665 /nfs/dbraw/zinc/07/76/65/1120077665.db2.gz IFUXKXHWAUQQRC-BMFZPTHFSA-N 2 1 280.481 3.532 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCCC(C)(C)C ZINC000499736028 1120497587 /nfs/dbraw/zinc/49/75/87/1120497587.db2.gz SEGMNUTVVJTBCI-UHFFFAOYSA-N 2 1 279.472 3.984 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCCC(C)(C)C ZINC000499736028 1120497589 /nfs/dbraw/zinc/49/75/89/1120497589.db2.gz SEGMNUTVVJTBCI-UHFFFAOYSA-N 2 1 279.472 3.984 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1c1ccccc1 ZINC000193462258 1120572024 /nfs/dbraw/zinc/57/20/24/1120572024.db2.gz ZXBCDPPCZCQPAT-KRWDZBQOSA-N 2 1 260.425 3.555 20 0 CHADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C)(CC(C)C)CC1 ZINC000343991681 1121048539 /nfs/dbraw/zinc/04/85/39/1121048539.db2.gz MEMLNPUHBGUFIJ-UHFFFAOYSA-N 2 1 277.456 3.730 20 0 CHADMP CC(C)CC(CC(C)C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432426269 1121068279 /nfs/dbraw/zinc/06/82/79/1121068279.db2.gz ZKOQWCQOYPQQLU-QGZVFWFLSA-N 2 1 298.515 3.538 20 0 CHADMP CC(C)[C@H]1CC[C@@H]1[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000514096499 1121679990 /nfs/dbraw/zinc/67/99/90/1121679990.db2.gz WJQUAJJKVDGULC-XDNAFOTISA-N 2 1 280.500 3.769 20 0 CHADMP C[C@H](C[NH2+]CC1CCCCCC1)[N@@H+]1CCCC[C@H]1C ZINC001177278150 1121722267 /nfs/dbraw/zinc/72/22/67/1121722267.db2.gz SRMNTCBHFDLKFX-HZPDHXFCSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@H](C[NH2+]CC1CCCCCC1)[N@H+]1CCCC[C@H]1C ZINC001177278150 1121722275 /nfs/dbraw/zinc/72/22/75/1121722275.db2.gz SRMNTCBHFDLKFX-HZPDHXFCSA-N 2 1 266.473 3.809 20 0 CHADMP CC[C@@H](Cc1cccs1)[NH2+]CCC[N@@H+](C)CC(C)C ZINC001182716030 1122184800 /nfs/dbraw/zinc/18/48/00/1122184800.db2.gz SZHGJSWYGAPCHV-HNNXBMFYSA-N 2 1 282.497 3.637 20 0 CHADMP Cc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(Cl)c1 ZINC001206556437 1122204279 /nfs/dbraw/zinc/20/42/79/1122204279.db2.gz RSIZIUYKROUATD-MRXNPFEDSA-N 2 1 280.843 3.599 20 0 CHADMP CCC(CC)[C@H](C[NH2+][C@H]1CC[C@H](C)SC1)[NH+]1CCCC1 ZINC001199144879 1123021279 /nfs/dbraw/zinc/02/12/79/1123021279.db2.gz YDHRDJMQTNSMPZ-XIRDDKMYSA-N 2 1 298.540 3.761 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)C[C@H](C)CCC=C(C)C)CC1 ZINC001201489885 1123108656 /nfs/dbraw/zinc/10/86/56/1123108656.db2.gz HUMPAMNDSZVUFQ-MRXNPFEDSA-N 2 1 266.473 3.785 20 0 CHADMP CCC[C@@H](C)CC[C@H](C)[N@@H+](CC)C1CC[NH2+]CC1 ZINC001246797301 1131784595 /nfs/dbraw/zinc/78/45/95/1131784595.db2.gz NQPJKMRYLACPAR-CABCVRRESA-N 2 1 254.462 3.665 20 0 CHADMP CC[C@H]1CC([N@H+]2CCCC3(CCC3)C2)C[C@H](CC)[NH2+]1 ZINC001246938689 1131822135 /nfs/dbraw/zinc/82/21/35/1131822135.db2.gz FVWSENCFPNHMED-GJZGRUSLSA-N 2 1 264.457 3.562 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1csc(Cl)c1)C2 ZINC001172118242 1132132268 /nfs/dbraw/zinc/13/22/68/1132132268.db2.gz PTGWHNWEBYJBTM-XYYAHUGASA-N 2 1 284.856 3.506 20 0 CHADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000842471590 1132432925 /nfs/dbraw/zinc/43/29/25/1132432925.db2.gz KMGHVMQBBSOYBN-OAHLLOKOSA-N 2 1 266.454 3.794 20 0 CHADMP CC[C@@H]1CC[C@H]([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173271552 1132436497 /nfs/dbraw/zinc/43/64/97/1132436497.db2.gz QVUVMDLWCCDNMK-VQHPVUNQSA-N 2 1 266.473 3.793 20 0 CHADMP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C1 ZINC000311875855 1135132138 /nfs/dbraw/zinc/13/21/38/1135132138.db2.gz ATRWMYGMKIZRPZ-ULQDDVLXSA-N 2 1 268.489 3.910 20 0 CHADMP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC000311875855 1135132141 /nfs/dbraw/zinc/13/21/41/1135132141.db2.gz ATRWMYGMKIZRPZ-ULQDDVLXSA-N 2 1 268.489 3.910 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cccc2cc[nH]c21 ZINC000237500854 1125565925 /nfs/dbraw/zinc/56/59/25/1125565925.db2.gz WOKMNFYLPCETFZ-INIZCTEOSA-N 2 1 299.462 3.912 20 0 CHADMP CC(C)c1ccc(CC[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC001205981723 1125620980 /nfs/dbraw/zinc/62/09/80/1125620980.db2.gz FZLJKXHCMDUOHP-VQIMIIECSA-N 2 1 288.479 3.659 20 0 CHADMP C[C@H](CC[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1)CC(C)(C)C ZINC001205981739 1125621020 /nfs/dbraw/zinc/62/10/20/1125621020.db2.gz GITCIFWAHKIVGZ-OAGGEKHMSA-N 2 1 268.489 3.756 20 0 CHADMP CO[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)CC1 ZINC000885914225 1125625971 /nfs/dbraw/zinc/62/59/71/1125625971.db2.gz PAKNJNOFXYUTPG-SJLPKXTDSA-N 2 1 296.499 3.578 20 0 CHADMP CO[C@@H]1CCC[C@@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000885923412 1125627146 /nfs/dbraw/zinc/62/71/46/1125627146.db2.gz ZMAZMDGNGVWVSL-KZNAEPCWSA-N 2 1 296.499 3.578 20 0 CHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](CC)c2cc(F)ccc2F)C1 ZINC000246848232 1125650512 /nfs/dbraw/zinc/65/05/12/1125650512.db2.gz CMTKLQBEIFFOIP-CXAGYDPISA-N 2 1 296.405 3.737 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)c2cc(F)ccc2F)C1 ZINC000246848232 1125650515 /nfs/dbraw/zinc/65/05/15/1125650515.db2.gz CMTKLQBEIFFOIP-CXAGYDPISA-N 2 1 296.405 3.737 20 0 CHADMP CC(C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000247966392 1125661490 /nfs/dbraw/zinc/66/14/90/1125661490.db2.gz GVZPDNZAPIZAIF-SQWLQELKSA-N 2 1 280.481 3.765 20 0 CHADMP CC(C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000247966392 1125661494 /nfs/dbraw/zinc/66/14/94/1125661494.db2.gz GVZPDNZAPIZAIF-SQWLQELKSA-N 2 1 280.481 3.765 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000248403992 1125667873 /nfs/dbraw/zinc/66/78/73/1125667873.db2.gz PJCPGKAVYNRHDI-PMPSAXMXSA-N 2 1 290.451 3.892 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000248403992 1125667878 /nfs/dbraw/zinc/66/78/78/1125667878.db2.gz PJCPGKAVYNRHDI-PMPSAXMXSA-N 2 1 290.451 3.892 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)s1 ZINC000251530931 1125696974 /nfs/dbraw/zinc/69/69/74/1125696974.db2.gz MTLIMUKKQRJQET-SRVKXCTJSA-N 2 1 284.856 3.679 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)s1 ZINC000251530931 1125696976 /nfs/dbraw/zinc/69/69/76/1125696976.db2.gz MTLIMUKKQRJQET-SRVKXCTJSA-N 2 1 284.856 3.679 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc2ccccc2c1 ZINC000237414325 1125700866 /nfs/dbraw/zinc/70/08/66/1125700866.db2.gz LFHJTFJYOBAUNA-HNNXBMFYSA-N 2 1 293.414 3.771 20 0 CHADMP Cc1[nH]c(C2CC[NH+](CC3CCCCC3)CC2)[nH+]c1C ZINC000886666139 1125705102 /nfs/dbraw/zinc/70/51/02/1125705102.db2.gz NMEKPVQXXFUJBV-UHFFFAOYSA-N 2 1 275.440 3.786 20 0 CHADMP Cc1[nH]c(C2CC[NH+]([C@H]3CCc4ccccc43)CC2)[nH+]c1C ZINC000886663086 1125705496 /nfs/dbraw/zinc/70/54/96/1125705496.db2.gz SIOMVXAXVBIWAB-SFHVURJKSA-N 2 1 295.430 3.893 20 0 CHADMP Cc1[nH]c(C2CC[NH+](CCC3CCCC3)CC2)[nH+]c1C ZINC000886666717 1125705553 /nfs/dbraw/zinc/70/55/53/1125705553.db2.gz YTIYNWZAPNXMEQ-UHFFFAOYSA-N 2 1 275.440 3.786 20 0 CHADMP Cc1[nH]c(C2CC[NH+](Cc3ccccc3C)CC2)[nH+]c1C ZINC000886670536 1125705753 /nfs/dbraw/zinc/70/57/53/1125705753.db2.gz QYJXHSJSOGIYIT-UHFFFAOYSA-N 2 1 283.419 3.715 20 0 CHADMP C[C@@H]([NH2+]C1(C2CC2)CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000886825514 1125720663 /nfs/dbraw/zinc/72/06/63/1125720663.db2.gz WCKOPJOLOAZRST-AEFFLSMTSA-N 2 1 298.474 3.819 20 0 CHADMP C[C@@H]([NH3+])C1CC[NH+](Cc2csc(Cl)c2Cl)CC1 ZINC000261928321 1125747502 /nfs/dbraw/zinc/74/75/02/1125747502.db2.gz LENXBOAUVORBCE-MRVPVSSYSA-N 2 1 293.263 3.614 20 0 CHADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000262047625 1125751342 /nfs/dbraw/zinc/75/13/42/1125751342.db2.gz ZDMSFHSGDQSPDX-NFAWXSAZSA-N 2 1 280.843 3.503 20 0 CHADMP C[C@H]([NH2+]CCC1=CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508700462 1125775721 /nfs/dbraw/zinc/77/57/21/1125775721.db2.gz UJXMHIGAHVOCLE-FXAWDEMLSA-N 2 1 298.474 3.987 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)cc(Cl)c2)C[C@@H]1C ZINC000508717265 1125779804 /nfs/dbraw/zinc/77/98/04/1125779804.db2.gz IKMNNNASXKIWLA-WMLDXEAASA-N 2 1 294.870 3.953 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)cc(Cl)c2)C[C@@H]1C ZINC000508717265 1125779811 /nfs/dbraw/zinc/77/98/11/1125779811.db2.gz IKMNNNASXKIWLA-WMLDXEAASA-N 2 1 294.870 3.953 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)cc(Cl)c2)C[C@@H]1C ZINC000508717265 1125779819 /nfs/dbraw/zinc/77/98/19/1125779819.db2.gz IKMNNNASXKIWLA-WMLDXEAASA-N 2 1 294.870 3.953 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)cc(Cl)c2)C[C@@H]1C ZINC000508717265 1125779824 /nfs/dbraw/zinc/77/98/24/1125779824.db2.gz IKMNNNASXKIWLA-WMLDXEAASA-N 2 1 294.870 3.953 20 0 CHADMP Cc1ccc2c(C)cc(N3CCC[C@@H]([NH+](C)C)CC3)[nH+]c2c1 ZINC000428661353 1125786128 /nfs/dbraw/zinc/78/61/28/1125786128.db2.gz SBPZSLQONCUJNF-MRXNPFEDSA-N 2 1 297.446 3.772 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](CCc2ccccc2)C(C)C)CC1 ZINC000159312016 1129198825 /nfs/dbraw/zinc/19/88/25/1129198825.db2.gz GXSWZZWXDZKBSR-LJQANCHMSA-N 2 1 288.479 3.718 20 0 CHADMP Cc1cccc(N2CCC([NH2+][C@@H]3CC[C@@H]3C3CCC3)CC2)[nH+]1 ZINC000337997769 1126707810 /nfs/dbraw/zinc/70/78/10/1126707810.db2.gz MUMPJVBVNWSABB-QZTJIDSGSA-N 2 1 299.462 3.527 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)C1CCCCCC1 ZINC000338012702 1126709750 /nfs/dbraw/zinc/70/97/50/1126709750.db2.gz MOXYCHJMDAFRRW-CQSZACIVSA-N 2 1 263.429 3.530 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000338010470 1126709858 /nfs/dbraw/zinc/70/98/58/1126709858.db2.gz DPKIRXCGVXFMGJ-MRXNPFEDSA-N 2 1 289.810 3.512 20 0 CHADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)C1CCCCC1 ZINC000338013994 1126710438 /nfs/dbraw/zinc/71/04/38/1126710438.db2.gz PUDQSSNNQUNBBF-INIZCTEOSA-N 2 1 263.429 3.530 20 0 CHADMP CCC[C@@H](Cc1ccccc1)[NH2+]CCCn1cc[nH+]c1C ZINC000338016560 1126710463 /nfs/dbraw/zinc/71/04/63/1126710463.db2.gz CQYOZMLISSRPAQ-SFHVURJKSA-N 2 1 285.435 3.583 20 0 CHADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)C1CCCCC1 ZINC000338013995 1126711031 /nfs/dbraw/zinc/71/10/31/1126711031.db2.gz PUDQSSNNQUNBBF-MRXNPFEDSA-N 2 1 263.429 3.530 20 0 CHADMP C[C@H]1CC[C@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170116320 1130272914 /nfs/dbraw/zinc/27/29/14/1130272914.db2.gz DSKGSWHVLXMHJW-VGWMRTNUSA-N 2 1 266.473 3.793 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000556037539 1126729652 /nfs/dbraw/zinc/72/96/52/1126729652.db2.gz COPYJUFZYHESSL-RTBURBONSA-N 2 1 298.405 3.751 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000556037539 1126729657 /nfs/dbraw/zinc/72/96/57/1126729657.db2.gz COPYJUFZYHESSL-RTBURBONSA-N 2 1 298.405 3.751 20 0 CHADMP CCCc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000482006572 1126738754 /nfs/dbraw/zinc/73/87/54/1126738754.db2.gz MFTLANPKNGFUEB-MOPGFXCFSA-N 2 1 286.463 3.555 20 0 CHADMP CCCc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000482006572 1126738757 /nfs/dbraw/zinc/73/87/57/1126738757.db2.gz MFTLANPKNGFUEB-MOPGFXCFSA-N 2 1 286.463 3.555 20 0 CHADMP CCCc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000482006572 1126738761 /nfs/dbraw/zinc/73/87/61/1126738761.db2.gz MFTLANPKNGFUEB-MOPGFXCFSA-N 2 1 286.463 3.555 20 0 CHADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc(C)c1F ZINC000483735165 1126799409 /nfs/dbraw/zinc/79/94/09/1126799409.db2.gz VNILHATXDHFHCC-DZKIICNBSA-N 2 1 278.415 3.576 20 0 CHADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(C)c1F ZINC000483735165 1126799410 /nfs/dbraw/zinc/79/94/10/1126799410.db2.gz VNILHATXDHFHCC-DZKIICNBSA-N 2 1 278.415 3.576 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1Cl ZINC000484477998 1126821115 /nfs/dbraw/zinc/82/11/15/1126821115.db2.gz REAMZKHEXDAMEF-BFHYXJOUSA-N 2 1 280.843 3.863 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccc(F)cc1 ZINC000178705591 1126819317 /nfs/dbraw/zinc/81/93/17/1126819317.db2.gz YIQKYNZTBYGHOD-CXAGYDPISA-N 2 1 289.398 3.708 20 0 CHADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccc(Cl)nc1 ZINC000179109556 1126822669 /nfs/dbraw/zinc/82/26/69/1126822669.db2.gz ANHUHZQLNPGRAX-UONOGXRCSA-N 2 1 295.858 3.508 20 0 CHADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]2c2cccc3ccccc32)C1 ZINC000904311716 1126844296 /nfs/dbraw/zinc/84/42/96/1126844296.db2.gz ABOLZGUXJHJEJO-SIXWZSSISA-N 2 1 280.415 3.714 20 0 CHADMP CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000181741667 1126860604 /nfs/dbraw/zinc/86/06/04/1126860604.db2.gz GTKCRORRHZHCMO-IAGOWNOFSA-N 2 1 298.434 3.634 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](C(C)C)CC2)CC1 ZINC000086944758 1130705165 /nfs/dbraw/zinc/70/51/65/1130705165.db2.gz RIDYOUGEZRCBPA-HOTGVXAUSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@@H](CC[NH2+]Cc1cc(F)cc(Cl)c1)[NH+]1CCCCC1 ZINC000485701443 1126945548 /nfs/dbraw/zinc/94/55/48/1126945548.db2.gz KHKJQELQLSZIOS-ZDUSSCGKSA-N 2 1 298.833 3.833 20 0 CHADMP C[C@H](CC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000191084970 1126947422 /nfs/dbraw/zinc/94/74/22/1126947422.db2.gz JOQSINBKUHGTRE-SOLBZPMBSA-N 2 1 274.452 3.595 20 0 CHADMP C[C@H](CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000191084970 1126947423 /nfs/dbraw/zinc/94/74/23/1126947423.db2.gz JOQSINBKUHGTRE-SOLBZPMBSA-N 2 1 274.452 3.595 20 0 CHADMP C[C@H](CC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000191084970 1126947428 /nfs/dbraw/zinc/94/74/28/1126947428.db2.gz JOQSINBKUHGTRE-SOLBZPMBSA-N 2 1 274.452 3.595 20 0 CHADMP C[C@H](CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000191084970 1126947431 /nfs/dbraw/zinc/94/74/31/1126947431.db2.gz JOQSINBKUHGTRE-SOLBZPMBSA-N 2 1 274.452 3.595 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cccc(O)c1 ZINC000194852245 1126977037 /nfs/dbraw/zinc/97/70/37/1126977037.db2.gz CSYMXYBUBUBLAC-CVEARBPZSA-N 2 1 290.451 3.555 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CC(C)C)c1cccs1 ZINC000268793050 1127024532 /nfs/dbraw/zinc/02/45/32/1127024532.db2.gz HBBROCZXYVKMAG-AWEZNQCLSA-N 2 1 277.437 3.630 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc2ccccc2o1 ZINC000268754887 1127022891 /nfs/dbraw/zinc/02/28/91/1127022891.db2.gz WRWVBCSHWOTJFJ-CQSZACIVSA-N 2 1 298.430 3.958 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CC1(C)C ZINC000487555990 1127034479 /nfs/dbraw/zinc/03/44/79/1127034479.db2.gz UGHZOXAMOCWCRO-KLZNWCGWSA-N 2 1 278.484 3.664 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC000269851645 1127047306 /nfs/dbraw/zinc/04/73/06/1127047306.db2.gz HDELQZCWQXEBRF-GOSISDBHSA-N 2 1 283.419 3.727 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1c1ccccc1C ZINC000269851645 1127047310 /nfs/dbraw/zinc/04/73/10/1127047310.db2.gz HDELQZCWQXEBRF-GOSISDBHSA-N 2 1 283.419 3.727 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2sccc2Cl)CC2CC2)CC1 ZINC001236551634 1130973879 /nfs/dbraw/zinc/97/38/79/1130973879.db2.gz KMGNNXRQDGMAPB-JOCQHMNTSA-N 2 1 298.883 3.883 20 0 CHADMP Fc1ccc2c(c1)[C@H]([N@H+]1CCC[C@H](c3ncc[nH]3)C1)CCC2 ZINC000270007952 1127049247 /nfs/dbraw/zinc/04/92/47/1127049247.db2.gz KNTSFMPCSFEQGO-WMLDXEAASA-N 2 1 299.393 3.806 20 0 CHADMP C[C@@H]1C[C@H]([N@@H+](C)CC2CCC2)CCN1Cc1ccccc1 ZINC000488006715 1127051770 /nfs/dbraw/zinc/05/17/70/1127051770.db2.gz GRMOARPSEXNRDI-VQIMIIECSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)CC2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000488006715 1127051775 /nfs/dbraw/zinc/05/17/75/1127051775.db2.gz GRMOARPSEXNRDI-VQIMIIECSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)CC2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000488006715 1127051777 /nfs/dbraw/zinc/05/17/77/1127051777.db2.gz GRMOARPSEXNRDI-VQIMIIECSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H]1C[C@H]([N@H+](C)CC2CCC2)CC[NH+]1Cc1ccccc1 ZINC000488006715 1127051781 /nfs/dbraw/zinc/05/17/81/1127051781.db2.gz GRMOARPSEXNRDI-VQIMIIECSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H]1C[C@H]([N@@H+](C)CC2CCC2)CC[NH+]1Cc1ccccc1 ZINC000488006715 1127051784 /nfs/dbraw/zinc/05/17/84/1127051784.db2.gz GRMOARPSEXNRDI-VQIMIIECSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(F)cn1 ZINC000271288034 1127074314 /nfs/dbraw/zinc/07/43/14/1127074314.db2.gz DNPLEIMHASGEDU-HUUCEWRRSA-N 2 1 293.430 3.526 20 0 CHADMP Cc1ccncc1[C@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000271338963 1127076071 /nfs/dbraw/zinc/07/60/71/1127076071.db2.gz BSSHYKGOXSMXIR-KRWDZBQOSA-N 2 1 297.446 3.563 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(C)c(C)c1 ZINC000570886382 1127137241 /nfs/dbraw/zinc/13/72/41/1127137241.db2.gz VHZILRNJWMGROW-UHFFFAOYSA-N 2 1 299.462 3.975 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC000570886382 1127137243 /nfs/dbraw/zinc/13/72/43/1127137243.db2.gz VHZILRNJWMGROW-UHFFFAOYSA-N 2 1 299.462 3.975 20 0 CHADMP CCC[N@@H+](Cc1ccccc1)C1CC[NH+](CC2CC2)CC1 ZINC001168380896 1127167682 /nfs/dbraw/zinc/16/76/82/1127167682.db2.gz VETRCJPCJGKHMD-UHFFFAOYSA-N 2 1 286.463 3.773 20 0 CHADMP C[C@@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)C1CCCCC1 ZINC000571943173 1127182854 /nfs/dbraw/zinc/18/28/54/1127182854.db2.gz OVTSXLIBMZUCCI-FUHWJXTLSA-N 2 1 278.484 3.621 20 0 CHADMP C[C@@H](C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)C1CCCCC1 ZINC000571943173 1127182856 /nfs/dbraw/zinc/18/28/56/1127182856.db2.gz OVTSXLIBMZUCCI-FUHWJXTLSA-N 2 1 278.484 3.621 20 0 CHADMP C[C@@H](C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)C1CCCCC1 ZINC000571943173 1127182858 /nfs/dbraw/zinc/18/28/58/1127182858.db2.gz OVTSXLIBMZUCCI-FUHWJXTLSA-N 2 1 278.484 3.621 20 0 CHADMP C[C@@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)C1CCCCC1 ZINC000571943175 1127182926 /nfs/dbraw/zinc/18/29/26/1127182926.db2.gz OVTSXLIBMZUCCI-WMZOPIPTSA-N 2 1 278.484 3.621 20 0 CHADMP C[C@@H](C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)C1CCCCC1 ZINC000571943175 1127182929 /nfs/dbraw/zinc/18/29/29/1127182929.db2.gz OVTSXLIBMZUCCI-WMZOPIPTSA-N 2 1 278.484 3.621 20 0 CHADMP C[C@@H](C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)C1CCCCC1 ZINC000571943175 1127182930 /nfs/dbraw/zinc/18/29/30/1127182930.db2.gz OVTSXLIBMZUCCI-WMZOPIPTSA-N 2 1 278.484 3.621 20 0 CHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H]1c1ccsc1 ZINC000351619921 1127199003 /nfs/dbraw/zinc/19/90/03/1127199003.db2.gz OESSIBWEFYJYEZ-HOTGVXAUSA-N 2 1 278.465 3.759 20 0 CHADMP CC(C)C[N@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000572732131 1127225337 /nfs/dbraw/zinc/22/53/37/1127225337.db2.gz URUUURHHQJPAJC-UHFFFAOYSA-N 2 1 285.435 3.511 20 0 CHADMP CC(C)C[N@@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000572732131 1127225339 /nfs/dbraw/zinc/22/53/39/1127225339.db2.gz URUUURHHQJPAJC-UHFFFAOYSA-N 2 1 285.435 3.511 20 0 CHADMP C[N@@H+](Cc1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285543701 1127236633 /nfs/dbraw/zinc/23/66/33/1127236633.db2.gz QCSLBGCDUXRVKX-YOFSQIOKSA-N 2 1 294.442 3.897 20 0 CHADMP C[NH+](Cc1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285543701 1127236635 /nfs/dbraw/zinc/23/66/35/1127236635.db2.gz QCSLBGCDUXRVKX-YOFSQIOKSA-N 2 1 294.442 3.897 20 0 CHADMP C[NH+](Cc1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285543701 1127236637 /nfs/dbraw/zinc/23/66/37/1127236637.db2.gz QCSLBGCDUXRVKX-YOFSQIOKSA-N 2 1 294.442 3.897 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CCC(C)C)c1ccoc1 ZINC000285945926 1127247906 /nfs/dbraw/zinc/24/79/06/1127247906.db2.gz FZFBOASUHWGWEV-KRWDZBQOSA-N 2 1 289.423 3.942 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cc(C)ccn2)c1 ZINC000286181184 1127261580 /nfs/dbraw/zinc/26/15/80/1127261580.db2.gz QWETVIGIKHIQHG-INIZCTEOSA-N 2 1 297.446 3.693 20 0 CHADMP CC[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000573016020 1127280703 /nfs/dbraw/zinc/28/07/03/1127280703.db2.gz FLRPVVODGYABGR-INIZCTEOSA-N 2 1 291.826 3.747 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000353946388 1127281167 /nfs/dbraw/zinc/28/11/67/1127281167.db2.gz VNDPVSQCZSKOPH-VQIMIIECSA-N 2 1 299.462 3.857 20 0 CHADMP Cc1oc2ccccc2c1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000354177505 1127297171 /nfs/dbraw/zinc/29/71/71/1127297171.db2.gz QLPBCEYRDLKPNE-IBGZPJMESA-N 2 1 298.430 3.659 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000354177505 1127297173 /nfs/dbraw/zinc/29/71/73/1127297173.db2.gz QLPBCEYRDLKPNE-IBGZPJMESA-N 2 1 298.430 3.659 20 0 CHADMP Cc1oc2ccccc2c1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000354177505 1127297174 /nfs/dbraw/zinc/29/71/74/1127297174.db2.gz QLPBCEYRDLKPNE-IBGZPJMESA-N 2 1 298.430 3.659 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC000287320220 1127300817 /nfs/dbraw/zinc/30/08/17/1127300817.db2.gz LSBYBJFYDWXZHV-LNLFQRSKSA-N 2 1 284.447 3.589 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CC1(C)CCCCCC1 ZINC000355667831 1127356792 /nfs/dbraw/zinc/35/67/92/1127356792.db2.gz LAUACDDKMVISIL-OAHLLOKOSA-N 2 1 277.456 3.778 20 0 CHADMP c1cn(-c2ccc(C[N@H+](CC3CC3)C3CCC3)cc2)cn1 ZINC000355735905 1127361271 /nfs/dbraw/zinc/36/12/71/1127361271.db2.gz UDQZOSNFRWTUEU-UHFFFAOYSA-N 2 1 281.403 3.637 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cc2cccc(F)c2o1 ZINC000355757341 1127362816 /nfs/dbraw/zinc/36/28/16/1127362816.db2.gz LQCFCPFSMQSHPS-JSGCOSHPSA-N 2 1 290.382 3.707 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cc2cccc(F)c2o1 ZINC000355757341 1127362819 /nfs/dbraw/zinc/36/28/19/1127362819.db2.gz LQCFCPFSMQSHPS-JSGCOSHPSA-N 2 1 290.382 3.707 20 0 CHADMP CC/C=C\CC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000466823303 1127370752 /nfs/dbraw/zinc/37/07/52/1127370752.db2.gz OTNZYYMXQQXGGH-PLNGDYQASA-N 2 1 286.463 3.939 20 0 CHADMP CC/C=C\CC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000466823303 1127370755 /nfs/dbraw/zinc/37/07/55/1127370755.db2.gz OTNZYYMXQQXGGH-PLNGDYQASA-N 2 1 286.463 3.939 20 0 CHADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001308566736 1127391881 /nfs/dbraw/zinc/39/18/81/1127391881.db2.gz GJGVDGDPFOUEAI-GOSISDBHSA-N 2 1 274.452 3.657 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cc(C)ccc1C ZINC000358090117 1127401946 /nfs/dbraw/zinc/40/19/46/1127401946.db2.gz VAAWSOJUDRMJQU-GDBMZVCRSA-N 2 1 285.435 3.795 20 0 CHADMP CCC1(C)CCC([NH2+]C[C@H](C)Cn2cc[nH+]c2C)CC1 ZINC000358088377 1127402098 /nfs/dbraw/zinc/40/20/98/1127402098.db2.gz AOTBNPLKIXQYMG-OOHWJJMZSA-N 2 1 277.456 3.776 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000359278171 1127456006 /nfs/dbraw/zinc/45/60/06/1127456006.db2.gz FIVFVMAIKANPKT-HNNXBMFYSA-N 2 1 278.440 3.615 20 0 CHADMP CCc1cnccc1[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000359292221 1127456705 /nfs/dbraw/zinc/45/67/05/1127456705.db2.gz FOPXPGCAHVKHPB-CQSZACIVSA-N 2 1 289.467 3.558 20 0 CHADMP CC1(C)Cc2occc2[C@H]([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000359619590 1127470074 /nfs/dbraw/zinc/47/00/74/1127470074.db2.gz KIQDPIHVRCNAFN-MRXNPFEDSA-N 2 1 290.451 3.759 20 0 CHADMP CC[C@@H](NCCC[N@@H+](C)C(C)C)c1ccc(F)cc1F ZINC000359645200 1127471345 /nfs/dbraw/zinc/47/13/45/1127471345.db2.gz RVZFATLJLDAGJN-MRXNPFEDSA-N 2 1 284.394 3.736 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc2c(s1)CCC2 ZINC000360030100 1127487266 /nfs/dbraw/zinc/48/72/66/1127487266.db2.gz UFGJKVIZOLEFTG-NWANDNLSSA-N 2 1 290.476 3.514 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC000360919203 1127520066 /nfs/dbraw/zinc/52/00/66/1127520066.db2.gz LWKJTOZVGLCNJB-ZBFHGGJFSA-N 2 1 290.426 3.536 20 0 CHADMP CC(C)c1ccccc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC001231875977 1127545376 /nfs/dbraw/zinc/54/53/76/1127545376.db2.gz ACHDSCCPNLQILT-UHFFFAOYSA-N 2 1 274.452 3.728 20 0 CHADMP CC(C)c1ccccc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001231875977 1127545382 /nfs/dbraw/zinc/54/53/82/1127545382.db2.gz ACHDSCCPNLQILT-UHFFFAOYSA-N 2 1 274.452 3.728 20 0 CHADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC(C)(C)Cc3occc32)C1 ZINC000361970704 1127603852 /nfs/dbraw/zinc/60/38/52/1127603852.db2.gz IZDPVOABNFKAGP-IIAWOOMASA-N 2 1 290.451 3.756 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2csc(C)c2)c1 ZINC000295328381 1127635020 /nfs/dbraw/zinc/63/50/20/1127635020.db2.gz ZJSFGFRZMPNLGE-UHFFFAOYSA-N 2 1 288.460 3.798 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cs1 ZINC000295839182 1127654881 /nfs/dbraw/zinc/65/48/81/1127654881.db2.gz FNAAUUVZLJWKCP-AWEZNQCLSA-N 2 1 280.481 3.828 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc2ccccc2n1 ZINC000295946670 1127658308 /nfs/dbraw/zinc/65/83/08/1127658308.db2.gz LVZXHHUHSMDZEH-HZTRTUMWSA-N 2 1 295.430 3.511 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc2ccccc2n1 ZINC000295946670 1127658310 /nfs/dbraw/zinc/65/83/10/1127658310.db2.gz LVZXHHUHSMDZEH-HZTRTUMWSA-N 2 1 295.430 3.511 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)c1ccccc1 ZINC000295982494 1127659583 /nfs/dbraw/zinc/65/95/83/1127659583.db2.gz OVFMBYNDIOONLN-CCNLRDMRSA-N 2 1 286.463 3.568 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000363485636 1127674030 /nfs/dbraw/zinc/67/40/30/1127674030.db2.gz BFCJJRRGKOKDGY-MRXNPFEDSA-N 2 1 289.810 3.682 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000363485636 1127674033 /nfs/dbraw/zinc/67/40/33/1127674033.db2.gz BFCJJRRGKOKDGY-MRXNPFEDSA-N 2 1 289.810 3.682 20 0 CHADMP CCC1([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000296672901 1127680993 /nfs/dbraw/zinc/68/09/93/1127680993.db2.gz KUTFKZJUBBWTRP-DOTOQJQBSA-N 2 1 272.436 3.572 20 0 CHADMP CCC1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000296672901 1127680996 /nfs/dbraw/zinc/68/09/96/1127680996.db2.gz KUTFKZJUBBWTRP-DOTOQJQBSA-N 2 1 272.436 3.572 20 0 CHADMP CCC(C)(C)[NH+](C)C/C=C\C[N@H+](C)C(C)(C)CC ZINC000603938151 1127684104 /nfs/dbraw/zinc/68/41/04/1127684104.db2.gz FQAWHRZXHSNFHA-QXMHVHEDSA-N 2 1 254.462 3.783 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000298342038 1127720091 /nfs/dbraw/zinc/72/00/91/1127720091.db2.gz JJEXIWBMZHODSI-VNCLNFNDSA-N 2 1 297.446 3.538 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000062014490 1127731198 /nfs/dbraw/zinc/73/11/98/1127731198.db2.gz LMYSFUCRDQYIPX-KGLIPLIRSA-N 2 1 280.843 3.723 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000299049001 1127739212 /nfs/dbraw/zinc/73/92/12/1127739212.db2.gz PRAOTISATPENCM-GFCCVEGCSA-N 2 1 277.799 3.538 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000299049001 1127739213 /nfs/dbraw/zinc/73/92/13/1127739213.db2.gz PRAOTISATPENCM-GFCCVEGCSA-N 2 1 277.799 3.538 20 0 CHADMP CC(C)c1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000659983573 1127875827 /nfs/dbraw/zinc/87/58/27/1127875827.db2.gz QEENIPRJJALHIS-MAUKXSAKSA-N 2 1 274.452 3.725 20 0 CHADMP CC(C)c1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000659983573 1127875832 /nfs/dbraw/zinc/87/58/32/1127875832.db2.gz QEENIPRJJALHIS-MAUKXSAKSA-N 2 1 274.452 3.725 20 0 CHADMP CC(C)c1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000659983573 1127875837 /nfs/dbraw/zinc/87/58/37/1127875837.db2.gz QEENIPRJJALHIS-MAUKXSAKSA-N 2 1 274.452 3.725 20 0 CHADMP CC(C)c1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000659983573 1127875843 /nfs/dbraw/zinc/87/58/43/1127875843.db2.gz QEENIPRJJALHIS-MAUKXSAKSA-N 2 1 274.452 3.725 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC(C)=C(c2ccco2)C1 ZINC000374536322 1127902390 /nfs/dbraw/zinc/90/23/90/1127902390.db2.gz JPLFBZKOMOBJLX-UHFFFAOYSA-N 2 1 299.418 3.744 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC(C)=C(c2ccco2)C1 ZINC000374536322 1127902392 /nfs/dbraw/zinc/90/23/92/1127902392.db2.gz JPLFBZKOMOBJLX-UHFFFAOYSA-N 2 1 299.418 3.744 20 0 CHADMP Cc1cccc([C@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)c1C ZINC000535471142 1127916862 /nfs/dbraw/zinc/91/68/62/1127916862.db2.gz XLIQGRFLKOBHJW-IEBWSBKVSA-N 2 1 286.463 3.925 20 0 CHADMP Cc1cccc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)c1C ZINC000535471142 1127916867 /nfs/dbraw/zinc/91/68/67/1127916867.db2.gz XLIQGRFLKOBHJW-IEBWSBKVSA-N 2 1 286.463 3.925 20 0 CHADMP Cc1cccc([C@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)c1C ZINC000535471142 1127916869 /nfs/dbraw/zinc/91/68/69/1127916869.db2.gz XLIQGRFLKOBHJW-IEBWSBKVSA-N 2 1 286.463 3.925 20 0 CHADMP Cc1ccc(-c2ccc(C[NH2+]CC3=CC[N@@H+](C)CC3)o2)cc1 ZINC000539547016 1127929844 /nfs/dbraw/zinc/92/98/44/1127929844.db2.gz KIEFRJWGXAHKMO-UHFFFAOYSA-N 2 1 296.414 3.607 20 0 CHADMP CCC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCC1 ZINC000623548551 1127935055 /nfs/dbraw/zinc/93/50/55/1127935055.db2.gz YBWCPNXYXOXRPW-HZPDHXFCSA-N 2 1 266.473 3.808 20 0 CHADMP C[N@H+]1CCC[C@H]2C[NH+](CC3CCC(C)(C)CC3)CC[C@@H]21 ZINC000539897671 1127952080 /nfs/dbraw/zinc/95/20/80/1127952080.db2.gz VUXUSJDNPMFDCM-IRXDYDNUSA-N 2 1 278.484 3.619 20 0 CHADMP CCc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000539895813 1127952592 /nfs/dbraw/zinc/95/25/92/1127952592.db2.gz XNLIIBRCDHBQDC-ICSRJNTNSA-N 2 1 298.474 3.698 20 0 CHADMP CCc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000539895813 1127952595 /nfs/dbraw/zinc/95/25/95/1127952595.db2.gz XNLIIBRCDHBQDC-ICSRJNTNSA-N 2 1 298.474 3.698 20 0 CHADMP CCc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000539895813 1127952599 /nfs/dbraw/zinc/95/25/99/1127952599.db2.gz XNLIIBRCDHBQDC-ICSRJNTNSA-N 2 1 298.474 3.698 20 0 CHADMP CCc1ccc(C2=CCN(CC[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000540056418 1127958760 /nfs/dbraw/zinc/95/87/60/1127958760.db2.gz PQSSURCPWLTYIH-HXUWFJFHSA-N 2 1 298.474 3.822 20 0 CHADMP CCc1ccc(C2=CC[N@H+](CC[C@H]3CCC[NH+]3C)CC2)cc1 ZINC000540056418 1127958761 /nfs/dbraw/zinc/95/87/61/1127958761.db2.gz PQSSURCPWLTYIH-HXUWFJFHSA-N 2 1 298.474 3.822 20 0 CHADMP CCc1ccc(C2=CC[N@@H+](CC[C@H]3CCC[NH+]3C)CC2)cc1 ZINC000540056418 1127958764 /nfs/dbraw/zinc/95/87/64/1127958764.db2.gz PQSSURCPWLTYIH-HXUWFJFHSA-N 2 1 298.474 3.822 20 0 CHADMP CCc1ccc(C2=CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000540056418 1127958769 /nfs/dbraw/zinc/95/87/69/1127958769.db2.gz PQSSURCPWLTYIH-HXUWFJFHSA-N 2 1 298.474 3.822 20 0 CHADMP CCc1ccc(C2=CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000540056418 1127958772 /nfs/dbraw/zinc/95/87/72/1127958772.db2.gz PQSSURCPWLTYIH-HXUWFJFHSA-N 2 1 298.474 3.822 20 0 CHADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000540052444 1127959245 /nfs/dbraw/zinc/95/92/45/1127959245.db2.gz DKVGALRZCHSZPU-VUHPKUFZSA-N 2 1 290.495 3.761 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2(C3CC3)CC2)cc1 ZINC000540752952 1127993674 /nfs/dbraw/zinc/99/36/74/1127993674.db2.gz KVIRDZLHAZJZPN-ZDUSSCGKSA-N 2 1 281.403 3.774 20 0 CHADMP CC(C)[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000300323173 1127998643 /nfs/dbraw/zinc/99/86/43/1127998643.db2.gz QJMDFFTXVFWRRK-VQTPCSAVSA-N 2 1 278.484 3.806 20 0 CHADMP CC(C)[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000300323173 1127998647 /nfs/dbraw/zinc/99/86/47/1127998647.db2.gz QJMDFFTXVFWRRK-VQTPCSAVSA-N 2 1 278.484 3.806 20 0 CHADMP CC(C)(C[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1)CC1CC1 ZINC001256907328 1128015411 /nfs/dbraw/zinc/01/54/11/1128015411.db2.gz BHVOTXQPMVUFJB-MRXNPFEDSA-N 2 1 278.484 3.809 20 0 CHADMP CC(C)(C[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1)CC1CC1 ZINC001256907328 1128015416 /nfs/dbraw/zinc/01/54/16/1128015416.db2.gz BHVOTXQPMVUFJB-MRXNPFEDSA-N 2 1 278.484 3.809 20 0 CHADMP CC(C)[NH2+]C1CC[NH+](CCc2ccc(C(C)C)cc2)CC1 ZINC000468945899 1128029348 /nfs/dbraw/zinc/02/93/48/1128029348.db2.gz JSVFGWGEWOSXOW-UHFFFAOYSA-N 2 1 288.479 3.815 20 0 CHADMP CCc1cccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000469589178 1128047805 /nfs/dbraw/zinc/04/78/05/1128047805.db2.gz RQNLIONZYXKZGT-UHFFFAOYSA-N 2 1 274.452 3.554 20 0 CHADMP CCC[C@@H](C[N@H+]1CCC[C@H](C[NH2+]C)C1)c1ccccc1 ZINC000470000656 1128061499 /nfs/dbraw/zinc/06/14/99/1128061499.db2.gz UDJBBMPAARLHCF-AEFFLSMTSA-N 2 1 274.452 3.502 20 0 CHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(-c3ccc(C)cc3)c2)C1 ZINC000470003192 1128061684 /nfs/dbraw/zinc/06/16/84/1128061684.db2.gz OKOLKNMGGFNDHP-GOSISDBHSA-N 2 1 294.442 3.703 20 0 CHADMP C[NH2+]C1CC[NH+](Cc2cccc(-c3ccc(C)cc3)c2)CC1 ZINC000470021226 1128062317 /nfs/dbraw/zinc/06/23/17/1128062317.db2.gz SGYUTTIBIJWVGG-UHFFFAOYSA-N 2 1 294.442 3.846 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+]CCc2ccc(C(C)C)cc2)C1 ZINC000470185500 1128064611 /nfs/dbraw/zinc/06/46/11/1128064611.db2.gz XHFFYCHYDAMGHF-GOSISDBHSA-N 2 1 288.479 3.674 20 0 CHADMP C[C@H](c1ccccc1F)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470977525 1128084652 /nfs/dbraw/zinc/08/46/52/1128084652.db2.gz WXHUOMPBGMEURI-ZBFHGGJFSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@H](c1ccccc1F)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470977525 1128084655 /nfs/dbraw/zinc/08/46/55/1128084655.db2.gz WXHUOMPBGMEURI-ZBFHGGJFSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@H](c1ccccc1F)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470977525 1128084659 /nfs/dbraw/zinc/08/46/59/1128084659.db2.gz WXHUOMPBGMEURI-ZBFHGGJFSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@H](c1ccccc1F)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470977525 1128084663 /nfs/dbraw/zinc/08/46/63/1128084663.db2.gz WXHUOMPBGMEURI-ZBFHGGJFSA-N 2 1 290.426 3.550 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1 ZINC000174946276 1128108836 /nfs/dbraw/zinc/10/88/36/1128108836.db2.gz ZWBCRAFCWAOHKI-LSDHHAIUSA-N 2 1 278.415 3.550 20 0 CHADMP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000174946276 1128108839 /nfs/dbraw/zinc/10/88/39/1128108839.db2.gz ZWBCRAFCWAOHKI-LSDHHAIUSA-N 2 1 278.415 3.550 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000174946276 1128108840 /nfs/dbraw/zinc/10/88/40/1128108840.db2.gz ZWBCRAFCWAOHKI-LSDHHAIUSA-N 2 1 278.415 3.550 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000174946276 1128108842 /nfs/dbraw/zinc/10/88/42/1128108842.db2.gz ZWBCRAFCWAOHKI-LSDHHAIUSA-N 2 1 278.415 3.550 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000174946276 1128108845 /nfs/dbraw/zinc/10/88/45/1128108845.db2.gz ZWBCRAFCWAOHKI-LSDHHAIUSA-N 2 1 278.415 3.550 20 0 CHADMP CC(C)C(C(C)C)[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000924696678 1128109908 /nfs/dbraw/zinc/10/99/08/1128109908.db2.gz PRUCFQQZFHRYGM-ARFHVFGLSA-N 2 1 266.473 3.520 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccns1 ZINC000924684159 1128110262 /nfs/dbraw/zinc/11/02/62/1128110262.db2.gz JFDHRDSOAKVNKG-QLFBSQMISA-N 2 1 295.496 3.552 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCc2cccc(C)c21 ZINC000925133690 1128122961 /nfs/dbraw/zinc/12/29/61/1128122961.db2.gz NBNYLHVNUFCRNI-KRWDZBQOSA-N 2 1 283.419 3.557 20 0 CHADMP CCCC[C@@H](CCC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000925216240 1128125780 /nfs/dbraw/zinc/12/57/80/1128125780.db2.gz IQJBZSMVXFNGIP-CSNJMZFVSA-N 2 1 296.499 3.577 20 0 CHADMP CCC(CC)c1cc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)on1 ZINC000925514470 1128130420 /nfs/dbraw/zinc/13/04/20/1128130420.db2.gz FOSTZGBGWBYCLM-KGLIPLIRSA-N 2 1 293.455 3.574 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc2ccccc2[nH]1 ZINC000926753296 1128192021 /nfs/dbraw/zinc/19/20/21/1128192021.db2.gz MYQPSRVJJCXGMF-CABCVRRESA-N 2 1 285.435 3.550 20 0 CHADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccccc2-c2cccs2)CC1 ZINC001205110346 1128195953 /nfs/dbraw/zinc/19/59/53/1128195953.db2.gz SRTRFPHVOWPSOI-OAHLLOKOSA-N 2 1 286.444 3.728 20 0 CHADMP CCCC(CCC)[N@H+]1CC[C@H](Oc2ccncc2C)C1 ZINC001257338773 1128249012 /nfs/dbraw/zinc/24/90/12/1128249012.db2.gz AJANMJQMPKUDAH-INIZCTEOSA-N 2 1 276.424 3.812 20 0 CHADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670153701 1128268832 /nfs/dbraw/zinc/26/88/32/1128268832.db2.gz QKEOHEKMHGXBJV-NJAFHUGGSA-N 2 1 286.463 3.643 20 0 CHADMP C[C@H]([NH2+]CC1([NH+](C)C)CCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670153702 1128268843 /nfs/dbraw/zinc/26/88/43/1128268843.db2.gz QKEOHEKMHGXBJV-SZMVWBNQSA-N 2 1 286.463 3.643 20 0 CHADMP Cc1ccc2cc([C@@H](C)[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)oc2c1 ZINC000495261296 1128255991 /nfs/dbraw/zinc/25/59/91/1128255991.db2.gz WKBHLIGKEFJLLT-HUUCEWRRSA-N 2 1 298.430 3.876 20 0 CHADMP Cc1ccc2cc([C@@H](C)[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)oc2c1 ZINC000495261296 1128255992 /nfs/dbraw/zinc/25/59/92/1128255992.db2.gz WKBHLIGKEFJLLT-HUUCEWRRSA-N 2 1 298.430 3.876 20 0 CHADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205131136 1128264724 /nfs/dbraw/zinc/26/47/24/1128264724.db2.gz RASJEDXCUZAZKJ-JTDSTZFVSA-N 2 1 288.479 3.515 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCCC(F)(F)C2)[C@@H](C)C1 ZINC000495001055 1128221930 /nfs/dbraw/zinc/22/19/30/1128221930.db2.gz VYQZAOMFHFQJEQ-KKUMJFAQSA-N 2 1 288.426 3.522 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000495020612 1128224388 /nfs/dbraw/zinc/22/43/88/1128224388.db2.gz UOYLYTGUNQCNNF-TUVASFSCSA-N 2 1 288.426 3.520 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)[C@@H]2C)cc1 ZINC000495041757 1128224814 /nfs/dbraw/zinc/22/48/14/1128224814.db2.gz VHFMZFQPAOWTCG-WZTLGTBRSA-N 2 1 283.419 3.876 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)[C@H]2C)cc1 ZINC000495041756 1128224949 /nfs/dbraw/zinc/22/49/49/1128224949.db2.gz VHFMZFQPAOWTCG-MOROJQBDSA-N 2 1 283.419 3.876 20 0 CHADMP CC(C)C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccs1 ZINC000542556299 1128278078 /nfs/dbraw/zinc/27/80/78/1128278078.db2.gz NQTFSAXWPJODBW-CABCVRRESA-N 2 1 280.481 3.909 20 0 CHADMP CC(C)C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccs1 ZINC000542556301 1128278240 /nfs/dbraw/zinc/27/82/40/1128278240.db2.gz NQTFSAXWPJODBW-HUUCEWRRSA-N 2 1 280.481 3.909 20 0 CHADMP C(CC1CCCCC1)C[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235122526 1128302729 /nfs/dbraw/zinc/30/27/29/1128302729.db2.gz GSDWHSUZULIVAP-KRWDZBQOSA-N 2 1 264.457 3.565 20 0 CHADMP C(CC1CCCCC1)C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235122526 1128302733 /nfs/dbraw/zinc/30/27/33/1128302733.db2.gz GSDWHSUZULIVAP-KRWDZBQOSA-N 2 1 264.457 3.565 20 0 CHADMP CC1=CC[C@H](CC[N@@H+]2CCCC[C@]23CC[NH2+]C3)C1(C)C ZINC001235125306 1128303110 /nfs/dbraw/zinc/30/31/10/1128303110.db2.gz OQSXYSXLKMRLID-SJLPKXTDSA-N 2 1 276.468 3.587 20 0 CHADMP CC1=CC[C@H](CC[N@H+]2CCCC[C@]23CC[NH2+]C3)C1(C)C ZINC001235125306 1128303113 /nfs/dbraw/zinc/30/31/13/1128303113.db2.gz OQSXYSXLKMRLID-SJLPKXTDSA-N 2 1 276.468 3.587 20 0 CHADMP CC1=CC[C@H](CC[N@@H+]2CCCC[C@@]23CC[NH2+]C3)C1(C)C ZINC001235125295 1128303977 /nfs/dbraw/zinc/30/39/77/1128303977.db2.gz OQSXYSXLKMRLID-AEFFLSMTSA-N 2 1 276.468 3.587 20 0 CHADMP CC1=CC[C@H](CC[N@H+]2CCCC[C@@]23CC[NH2+]C3)C1(C)C ZINC001235125295 1128303982 /nfs/dbraw/zinc/30/39/82/1128303982.db2.gz OQSXYSXLKMRLID-AEFFLSMTSA-N 2 1 276.468 3.587 20 0 CHADMP CCCCCC[C@@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000699646788 1128308503 /nfs/dbraw/zinc/30/85/03/1128308503.db2.gz PSDSZFBVSXNESM-CQSZACIVSA-N 2 1 251.418 3.530 20 0 CHADMP COc1ccc([C@@H](C)[C@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C)cc1 ZINC000562090619 1128378074 /nfs/dbraw/zinc/37/80/74/1128378074.db2.gz CMDLILGKGUNUHT-JYJNAYRXSA-N 2 1 292.467 3.506 20 0 CHADMP COc1ccc([C@@H](C)[C@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000562090619 1128378078 /nfs/dbraw/zinc/37/80/78/1128378078.db2.gz CMDLILGKGUNUHT-JYJNAYRXSA-N 2 1 292.467 3.506 20 0 CHADMP CC(C)CC(CC(C)C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140800 1128418443 /nfs/dbraw/zinc/41/84/43/1128418443.db2.gz OPZUBSMTTRBMPG-UHFFFAOYSA-N 2 1 266.473 3.664 20 0 CHADMP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996741 1128404857 /nfs/dbraw/zinc/40/48/57/1128404857.db2.gz FYWAVYUZVAJWCB-BMGDILEWSA-N 2 1 272.436 3.526 20 0 CHADMP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996741 1128404859 /nfs/dbraw/zinc/40/48/59/1128404859.db2.gz FYWAVYUZVAJWCB-BMGDILEWSA-N 2 1 272.436 3.526 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC[N@H+]1C ZINC000316741942 1128335917 /nfs/dbraw/zinc/33/59/17/1128335917.db2.gz IARUVLWFJKZXKS-GLJUWKHASA-N 2 1 297.446 3.618 20 0 CHADMP c1ccc([C@H]2CCCC[N@@H+]2CC[C@H]2CCCC[NH2+]2)cc1 ZINC001205171639 1128433665 /nfs/dbraw/zinc/43/36/65/1128433665.db2.gz VDBQPVWKEUPYLU-QZTJIDSGSA-N 2 1 272.436 3.746 20 0 CHADMP c1ccc([C@H]2CCCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC001205171750 1128435948 /nfs/dbraw/zinc/43/59/48/1128435948.db2.gz WXZQBPQSOXZUEO-FUHWJXTLSA-N 2 1 272.436 3.603 20 0 CHADMP CCCc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC)CC2)cc1 ZINC000038097951 1128438149 /nfs/dbraw/zinc/43/81/49/1128438149.db2.gz AEOCSISXJDDASH-OAHLLOKOSA-N 2 1 274.452 3.774 20 0 CHADMP CC1(C)CC([NH2+]Cc2cccc(Cl)c2F)CC(C)(C)[NH2+]1 ZINC000125074437 1128447542 /nfs/dbraw/zinc/44/75/42/1128447542.db2.gz GZEXXGNLMUATIP-UHFFFAOYSA-N 2 1 298.833 3.878 20 0 CHADMP Clc1cccc(Cl)c1C[NH+]1CC2(C1)CCC[NH2+]CC2 ZINC001236008487 1128454023 /nfs/dbraw/zinc/45/40/23/1128454023.db2.gz LQWXLLOWPZOLFR-UHFFFAOYSA-N 2 1 299.245 3.569 20 0 CHADMP CC(C)Cc1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000563904460 1128484400 /nfs/dbraw/zinc/48/44/00/1128484400.db2.gz YYZPUCULLKLRSZ-FUHWJXTLSA-N 2 1 288.479 3.878 20 0 CHADMP C[C@H](CCc1ccco1)[NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000226701763 1128487437 /nfs/dbraw/zinc/48/74/37/1128487437.db2.gz JNEDYONREJPKOW-JFIYKMOQSA-N 2 1 292.467 3.701 20 0 CHADMP CCC[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2C)CC1 ZINC000128769010 1128516453 /nfs/dbraw/zinc/51/64/53/1128516453.db2.gz YFZMLJNHIXVSOM-UHFFFAOYSA-N 2 1 280.843 3.612 20 0 CHADMP CC(C)[C@@H](c1ccccc1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000565167705 1128521591 /nfs/dbraw/zinc/52/15/91/1128521591.db2.gz YCCSSNRIPCJGAX-SFHVURJKSA-N 2 1 285.435 3.682 20 0 CHADMP CC(C)[C@@H](c1ccccc1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000565167705 1128521594 /nfs/dbraw/zinc/52/15/94/1128521594.db2.gz YCCSSNRIPCJGAX-SFHVURJKSA-N 2 1 285.435 3.682 20 0 CHADMP C1CCC2(C1)CCC([NH2+][C@H]1CC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000129280920 1128535754 /nfs/dbraw/zinc/53/57/54/1128535754.db2.gz PNKAAPCYPRWYPK-IRXDYDNUSA-N 2 1 276.468 3.706 20 0 CHADMP C1CCC2(C1)CCC([NH2+][C@H]1CC[N@H+]3CCCC[C@@H]13)CC2 ZINC000129280920 1128535758 /nfs/dbraw/zinc/53/57/58/1128535758.db2.gz PNKAAPCYPRWYPK-IRXDYDNUSA-N 2 1 276.468 3.706 20 0 CHADMP CC(C)[NH+](CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C(C)C ZINC000069376346 1128538944 /nfs/dbraw/zinc/53/89/44/1128538944.db2.gz VZHHTQQIOKEXNS-KBPBESRZSA-N 2 1 294.405 3.816 20 0 CHADMP CCC[N@@H+]1CC[C@H](CNc2[nH+]ccc3ccc(C)cc32)C1 ZINC000566149015 1128539074 /nfs/dbraw/zinc/53/90/74/1128539074.db2.gz JUKZONVZYJOGOP-OAHLLOKOSA-N 2 1 283.419 3.687 20 0 CHADMP CCC[N@H+]1CC[C@H](CNc2[nH+]ccc3ccc(C)cc32)C1 ZINC000566149015 1128539077 /nfs/dbraw/zinc/53/90/77/1128539077.db2.gz JUKZONVZYJOGOP-OAHLLOKOSA-N 2 1 283.419 3.687 20 0 CHADMP [NH3+]C1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000566225651 1128540653 /nfs/dbraw/zinc/54/06/53/1128540653.db2.gz BFUNRBTZKCXPSY-UHFFFAOYSA-N 2 1 290.794 3.523 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000556076212 1128544496 /nfs/dbraw/zinc/54/44/96/1128544496.db2.gz LIYRRDRCNBCCML-DLBZAZTESA-N 2 1 278.484 3.809 20 0 CHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC2(C)CCC2)C1 ZINC000556105404 1128547631 /nfs/dbraw/zinc/54/76/31/1128547631.db2.gz VDJDHWVMNDNXAQ-SJORKVTESA-N 2 1 278.484 3.763 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC2(C)CCC2)C1 ZINC000556105404 1128547636 /nfs/dbraw/zinc/54/76/36/1128547636.db2.gz VDJDHWVMNDNXAQ-SJORKVTESA-N 2 1 278.484 3.763 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC2(C)CCC2)C1 ZINC000556105404 1128547638 /nfs/dbraw/zinc/54/76/38/1128547638.db2.gz VDJDHWVMNDNXAQ-SJORKVTESA-N 2 1 278.484 3.763 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]CCCC2CC2)C[C@H]1c1ccccc1 ZINC000556118369 1128549983 /nfs/dbraw/zinc/54/99/83/1128549983.db2.gz NLBZYQSABQRCES-MSOLQXFVSA-N 2 1 272.436 3.602 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CCCC2CC2)C[C@H]1c1ccccc1 ZINC000556118369 1128549986 /nfs/dbraw/zinc/54/99/86/1128549986.db2.gz NLBZYQSABQRCES-MSOLQXFVSA-N 2 1 272.436 3.602 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2)C2CC2)[C@@H](C)C1 ZINC000556211069 1128563808 /nfs/dbraw/zinc/56/38/08/1128563808.db2.gz YOWUDOIYZBCUAG-IPELMVKDSA-N 2 1 286.463 3.500 20 0 CHADMP CC[C@H](C)[N@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000567402450 1128564027 /nfs/dbraw/zinc/56/40/27/1128564027.db2.gz VCYIJIJGOMFVLV-INIZCTEOSA-N 2 1 285.435 3.653 20 0 CHADMP CC[C@H](C)[N@@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000567402450 1128564031 /nfs/dbraw/zinc/56/40/31/1128564031.db2.gz VCYIJIJGOMFVLV-INIZCTEOSA-N 2 1 285.435 3.653 20 0 CHADMP CCC[N@@H+]1CC[C@@H](CNc2[nH+]ccc3c(C)cccc32)C1 ZINC000567752160 1128571324 /nfs/dbraw/zinc/57/13/24/1128571324.db2.gz ZYBUOBGUFQBIJH-HNNXBMFYSA-N 2 1 283.419 3.687 20 0 CHADMP CCC[N@H+]1CC[C@@H](CNc2[nH+]ccc3c(C)cccc32)C1 ZINC000567752160 1128571330 /nfs/dbraw/zinc/57/13/30/1128571330.db2.gz ZYBUOBGUFQBIJH-HNNXBMFYSA-N 2 1 283.419 3.687 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1ccsc1 ZINC000569045571 1128596773 /nfs/dbraw/zinc/59/67/73/1128596773.db2.gz BGJAIXFIZJAGIM-CABCVRRESA-N 2 1 282.497 3.779 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1ccsc1 ZINC000569045571 1128596776 /nfs/dbraw/zinc/59/67/76/1128596776.db2.gz BGJAIXFIZJAGIM-CABCVRRESA-N 2 1 282.497 3.779 20 0 CHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000131368576 1128615904 /nfs/dbraw/zinc/61/59/04/1128615904.db2.gz VUKLVFWFACXWDH-UHFFFAOYSA-N 2 1 296.405 3.977 20 0 CHADMP CC(C)C(C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)C(C)C ZINC000556597736 1128607008 /nfs/dbraw/zinc/60/70/08/1128607008.db2.gz XWCOVYCRLDFLCP-QGZVFWFLSA-N 2 1 280.500 3.578 20 0 CHADMP CC(C)C(C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)C(C)C ZINC000556597736 1128607011 /nfs/dbraw/zinc/60/70/11/1128607011.db2.gz XWCOVYCRLDFLCP-QGZVFWFLSA-N 2 1 280.500 3.578 20 0 CHADMP CC(C)C(C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)C(C)C ZINC000556597736 1128607013 /nfs/dbraw/zinc/60/70/13/1128607013.db2.gz XWCOVYCRLDFLCP-QGZVFWFLSA-N 2 1 280.500 3.578 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@@H]2CC2(F)F)c1 ZINC000638434201 1128617449 /nfs/dbraw/zinc/61/74/49/1128617449.db2.gz JDDYVINGAIHFSS-CJNGLKHVSA-N 2 1 296.405 3.660 20 0 CHADMP Cc1ccc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000572019761 1128640821 /nfs/dbraw/zinc/64/08/21/1128640821.db2.gz PNVBJWCYCOORSJ-QXCFHYIPSA-N 2 1 286.463 3.561 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)c2sccc21 ZINC000572713348 1128647119 /nfs/dbraw/zinc/64/71/19/1128647119.db2.gz QYIIAYRLHIDOBJ-NFAWXSAZSA-N 2 1 278.465 3.618 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)c2sccc21 ZINC000572713348 1128647120 /nfs/dbraw/zinc/64/71/20/1128647120.db2.gz QYIIAYRLHIDOBJ-NFAWXSAZSA-N 2 1 278.465 3.618 20 0 CHADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccccc1Oc1ccccc1 ZINC000574924319 1128664660 /nfs/dbraw/zinc/66/46/60/1128664660.db2.gz CKGURYRNMXEWDU-WBVHZDCISA-N 2 1 296.414 3.791 20 0 CHADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccccc1Oc1ccccc1 ZINC000574924319 1128664663 /nfs/dbraw/zinc/66/46/63/1128664663.db2.gz CKGURYRNMXEWDU-WBVHZDCISA-N 2 1 296.414 3.791 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001258052722 1128702760 /nfs/dbraw/zinc/70/27/60/1128702760.db2.gz RSIZCMVTOYCAKK-VIQHNZTISA-N 2 1 266.473 3.662 20 0 CHADMP CC(C)C[C@@H](C)C[C@H](C)[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001258065292 1128731067 /nfs/dbraw/zinc/73/10/67/1128731067.db2.gz MYYNTHUNQLJDOH-SJORKVTESA-N 2 1 292.511 3.865 20 0 CHADMP CC(C)C[C@@H](C)C[C@H](C)[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001258065292 1128731070 /nfs/dbraw/zinc/73/10/70/1128731070.db2.gz MYYNTHUNQLJDOH-SJORKVTESA-N 2 1 292.511 3.865 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(SC)s2)[C@@H](C)C1 ZINC000578965643 1128734178 /nfs/dbraw/zinc/73/41/78/1128734178.db2.gz QOABLOPQDYFPJJ-GXTWGEPZSA-N 2 1 298.521 3.632 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(SC)s2)[C@@H](C)C1 ZINC000578965643 1128734182 /nfs/dbraw/zinc/73/41/82/1128734182.db2.gz QOABLOPQDYFPJJ-GXTWGEPZSA-N 2 1 298.521 3.632 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(SC)s2)[C@@H](C)C1 ZINC000578965643 1128734186 /nfs/dbraw/zinc/73/41/86/1128734186.db2.gz QOABLOPQDYFPJJ-GXTWGEPZSA-N 2 1 298.521 3.632 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(SC)s2)[C@@H](C)C1 ZINC000578965643 1128734190 /nfs/dbraw/zinc/73/41/90/1128734190.db2.gz QOABLOPQDYFPJJ-GXTWGEPZSA-N 2 1 298.521 3.632 20 0 CHADMP Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CCCc2cncn2C)C1 ZINC000579729065 1117767095 /nfs/dbraw/zinc/76/70/95/1117767095.db2.gz QRFVJSNKDMWSEL-SJORKVTESA-N 2 1 297.446 3.539 20 0 CHADMP Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000579729065 1117767101 /nfs/dbraw/zinc/76/71/01/1117767101.db2.gz QRFVJSNKDMWSEL-SJORKVTESA-N 2 1 297.446 3.539 20 0 CHADMP Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000579729065 1117767106 /nfs/dbraw/zinc/76/71/06/1117767106.db2.gz QRFVJSNKDMWSEL-SJORKVTESA-N 2 1 297.446 3.539 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)c(Cl)c1 ZINC000643546994 1117793811 /nfs/dbraw/zinc/79/38/11/1117793811.db2.gz YDYHKGSXCDTMLN-YPMHNXCESA-N 2 1 296.817 3.804 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1nccc2ccccc21 ZINC000643547962 1117798960 /nfs/dbraw/zinc/79/89/60/1117798960.db2.gz LHCLTMJPUORXDW-GOEBONIOSA-N 2 1 295.430 3.560 20 0 CHADMP CCCC1CCC(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC000430167538 1117801105 /nfs/dbraw/zinc/80/11/05/1117801105.db2.gz PXBLWYBIJZMZPV-ABHNRTSZSA-N 2 1 278.484 3.621 20 0 CHADMP CCCC1CCC(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000430167538 1117801110 /nfs/dbraw/zinc/80/11/10/1117801110.db2.gz PXBLWYBIJZMZPV-ABHNRTSZSA-N 2 1 278.484 3.621 20 0 CHADMP CCCC1CCC(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000430167538 1117801114 /nfs/dbraw/zinc/80/11/14/1117801114.db2.gz PXBLWYBIJZMZPV-ABHNRTSZSA-N 2 1 278.484 3.621 20 0 CHADMP C[C@H](C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C(C)(C)C ZINC000670264748 1117824377 /nfs/dbraw/zinc/82/43/77/1117824377.db2.gz UJXGFTRKBOOYKF-CVEARBPZSA-N 2 1 266.473 3.619 20 0 CHADMP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623342886 1117836170 /nfs/dbraw/zinc/83/61/70/1117836170.db2.gz SVQBOXXCGKOXOV-LSDHHAIUSA-N 2 1 290.451 3.527 20 0 CHADMP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623342886 1117836177 /nfs/dbraw/zinc/83/61/77/1117836177.db2.gz SVQBOXXCGKOXOV-LSDHHAIUSA-N 2 1 290.451 3.527 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCc3ccccc32)CC1(C)C ZINC000623346527 1117837357 /nfs/dbraw/zinc/83/73/57/1117837357.db2.gz UXJFWCBTNNQCPN-IRXDYDNUSA-N 2 1 286.463 3.569 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CCC2)CC1(C)C ZINC000623350787 1117839327 /nfs/dbraw/zinc/83/93/27/1117839327.db2.gz SPQRJWXCMGIDDK-KRWDZBQOSA-N 2 1 286.463 3.571 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]C2(c3ccccc3)CCC2)CC1(C)C ZINC000623386037 1117846503 /nfs/dbraw/zinc/84/65/03/1117846503.db2.gz IBMWWSAXCWXZTL-MRXNPFEDSA-N 2 1 272.436 3.528 20 0 CHADMP CCOc1cccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623384261 1117847839 /nfs/dbraw/zinc/84/78/39/1117847839.db2.gz UMPSILJXZTWFHR-ZBFHGGJFSA-N 2 1 290.451 3.609 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(F)F)cc2)CC1(C)C ZINC000623493685 1117861948 /nfs/dbraw/zinc/86/19/48/1117861948.db2.gz OFQUDCKORXOVPK-AWEZNQCLSA-N 2 1 282.378 3.587 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(F)F)cc2)CC1(C)C ZINC000623493685 1117861952 /nfs/dbraw/zinc/86/19/52/1117861952.db2.gz OFQUDCKORXOVPK-AWEZNQCLSA-N 2 1 282.378 3.587 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCCc3sccc32)CC1(C)C ZINC000623494343 1117862004 /nfs/dbraw/zinc/86/20/04/1117862004.db2.gz NIECYCYPLMWLJQ-OCCSQVGLSA-N 2 1 278.465 3.588 20 0 CHADMP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623476796 1117862706 /nfs/dbraw/zinc/86/27/06/1117862706.db2.gz PBSLTRXSPUAHMC-UWWQBHOKSA-N 2 1 286.463 3.772 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+][C@H](C2CCC2)C2CCCC2)CC1(C)C ZINC000623557397 1117870851 /nfs/dbraw/zinc/87/08/51/1117870851.db2.gz VSIWFWHQVAHXAC-SJORKVTESA-N 2 1 278.484 3.808 20 0 CHADMP CCCCc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)s1 ZINC001206772191 1117872172 /nfs/dbraw/zinc/87/21/72/1117872172.db2.gz ZAOVVUXBIUSOFV-UONOGXRCSA-N 2 1 280.481 3.650 20 0 CHADMP CC[N@H+](CCC[NH2+]Cc1ccnc(C)c1)C1CCCCC1 ZINC000623560002 1117872804 /nfs/dbraw/zinc/87/28/04/1117872804.db2.gz RPQFIFPTYALMSZ-UHFFFAOYSA-N 2 1 289.467 3.524 20 0 CHADMP CC[N@@H+](CCC[NH2+]Cc1ccnc(C)c1)C1CCCCC1 ZINC000623560002 1117872810 /nfs/dbraw/zinc/87/28/10/1117872810.db2.gz RPQFIFPTYALMSZ-UHFFFAOYSA-N 2 1 289.467 3.524 20 0 CHADMP C[C@@H]([NH2+]CCc1cccs1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185709732 1117875676 /nfs/dbraw/zinc/87/56/76/1117875676.db2.gz XVMZOVWWSSPCPM-CABCVRRESA-N 2 1 292.492 3.533 20 0 CHADMP CC[C@@H](CCc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623624084 1117879417 /nfs/dbraw/zinc/87/94/17/1117879417.db2.gz RMGOITNZZHOCSE-ROUUACIJSA-N 2 1 288.479 3.860 20 0 CHADMP C[C@H](NCC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccoc1 ZINC000178225067 1117890154 /nfs/dbraw/zinc/89/01/54/1117890154.db2.gz QUUFACQCGXVKLU-HOTGVXAUSA-N 2 1 286.419 3.841 20 0 CHADMP CC(C)Oc1cccc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)c1 ZINC000179683909 1117909589 /nfs/dbraw/zinc/90/95/89/1117909589.db2.gz FZAVAMCPBADCGE-DOTOQJQBSA-N 2 1 290.451 3.609 20 0 CHADMP Cc1ccc2[nH]c(C[N@H+](C)[C@@H]3CCN(C)C[C@H]3C)cc2c1C ZINC000579287471 1128743268 /nfs/dbraw/zinc/74/32/68/1128743268.db2.gz FUUNZAHPJHAQJZ-AUUYWEPGSA-N 2 1 299.462 3.557 20 0 CHADMP Cc1ccc2[nH]c(CN(C)[C@@H]3CC[N@@H+](C)C[C@H]3C)cc2c1C ZINC000579287471 1128743271 /nfs/dbraw/zinc/74/32/71/1128743271.db2.gz FUUNZAHPJHAQJZ-AUUYWEPGSA-N 2 1 299.462 3.557 20 0 CHADMP Cc1ccc2[nH]c(CN(C)[C@@H]3CC[N@H+](C)C[C@H]3C)cc2c1C ZINC000579287471 1128743274 /nfs/dbraw/zinc/74/32/74/1128743274.db2.gz FUUNZAHPJHAQJZ-AUUYWEPGSA-N 2 1 299.462 3.557 20 0 CHADMP Cc1ccc2[nH]c(C[NH+](C)[C@@H]3CC[N@@H+](C)C[C@H]3C)cc2c1C ZINC000579287471 1128743276 /nfs/dbraw/zinc/74/32/76/1128743276.db2.gz FUUNZAHPJHAQJZ-AUUYWEPGSA-N 2 1 299.462 3.557 20 0 CHADMP Cc1ccc2[nH]c(C[NH+](C)[C@@H]3CC[N@H+](C)C[C@H]3C)cc2c1C ZINC000579287471 1128743280 /nfs/dbraw/zinc/74/32/80/1128743280.db2.gz FUUNZAHPJHAQJZ-AUUYWEPGSA-N 2 1 299.462 3.557 20 0 CHADMP Cc1ccc2[nH]c(C[N@@H+](C)[C@@H]3CC[NH+](C)C[C@H]3C)cc2c1C ZINC000579287471 1128743283 /nfs/dbraw/zinc/74/32/83/1128743283.db2.gz FUUNZAHPJHAQJZ-AUUYWEPGSA-N 2 1 299.462 3.557 20 0 CHADMP Cc1ccc2[nH]c(C[N@H+](C)[C@@H]3CC[NH+](C)C[C@H]3C)cc2c1C ZINC000579287471 1128743285 /nfs/dbraw/zinc/74/32/85/1128743285.db2.gz FUUNZAHPJHAQJZ-AUUYWEPGSA-N 2 1 299.462 3.557 20 0 CHADMP CCOc1ccccc1[C@H](CC)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000179755606 1117913228 /nfs/dbraw/zinc/91/32/28/1117913228.db2.gz OBBNMZVGWNVCLZ-RDJZCZTQSA-N 2 1 290.451 3.610 20 0 CHADMP C[C@@H](C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C)C(F)(F)F ZINC001208891723 1117953164 /nfs/dbraw/zinc/95/31/64/1117953164.db2.gz LATPWRYRVBLGHV-MELADBBJSA-N 2 1 292.389 3.524 20 0 CHADMP C[C@@H](C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C)C(F)(F)F ZINC001208891723 1117953162 /nfs/dbraw/zinc/95/31/62/1117953162.db2.gz LATPWRYRVBLGHV-MELADBBJSA-N 2 1 292.389 3.524 20 0 CHADMP Cc1cc([C@H](C)N[C@H]2CC[N@H+]3CCCC[C@H]23)c(C)s1 ZINC000036996308 1117955227 /nfs/dbraw/zinc/95/52/27/1117955227.db2.gz AMUZHDNYEXBXGX-VBNZEHGJSA-N 2 1 278.465 3.642 20 0 CHADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c(C)s1 ZINC000036996308 1117955232 /nfs/dbraw/zinc/95/52/32/1117955232.db2.gz AMUZHDNYEXBXGX-VBNZEHGJSA-N 2 1 278.465 3.642 20 0 CHADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c(C)s1 ZINC000036996308 1117955234 /nfs/dbraw/zinc/95/52/34/1117955234.db2.gz AMUZHDNYEXBXGX-VBNZEHGJSA-N 2 1 278.465 3.642 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000624120016 1117983598 /nfs/dbraw/zinc/98/35/98/1117983598.db2.gz POHXIQRBOILMPD-WMLDXEAASA-N 2 1 278.415 3.598 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000624120015 1117984003 /nfs/dbraw/zinc/98/40/03/1117984003.db2.gz POHXIQRBOILMPD-RHSMWYFYSA-N 2 1 278.415 3.598 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)c(F)c1 ZINC000624122463 1117984525 /nfs/dbraw/zinc/98/45/25/1117984525.db2.gz RTCBCGDBDHGUEE-QWHCGFSZSA-N 2 1 298.833 3.862 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(C)cc1 ZINC000624119593 1117984917 /nfs/dbraw/zinc/98/49/17/1117984917.db2.gz FTGQBOJIUPGWLN-AEFFLSMTSA-N 2 1 274.452 3.768 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)c(F)c1 ZINC000624122464 1117985018 /nfs/dbraw/zinc/98/50/18/1117985018.db2.gz RTCBCGDBDHGUEE-STQMWFEESA-N 2 1 298.833 3.862 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(C)cc1 ZINC000624119594 1117985080 /nfs/dbraw/zinc/98/50/80/1117985080.db2.gz FTGQBOJIUPGWLN-FUHWJXTLSA-N 2 1 274.452 3.768 20 0 CHADMP Cc1cccc(CC[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000624120668 1117985266 /nfs/dbraw/zinc/98/52/66/1117985266.db2.gz DPHCEYKUJMPWOZ-PKOBYXMFSA-N 2 1 288.479 3.638 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(C)cc1 ZINC000624119596 1117986194 /nfs/dbraw/zinc/98/61/94/1117986194.db2.gz FTGQBOJIUPGWLN-WMZOPIPTSA-N 2 1 274.452 3.768 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccs1 ZINC000624120259 1117986348 /nfs/dbraw/zinc/98/63/48/1117986348.db2.gz VACWZPVSPSLYFC-KBPBESRZSA-N 2 1 266.454 3.521 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c2ccccc21 ZINC000624123332 1117986714 /nfs/dbraw/zinc/98/67/14/1117986714.db2.gz JYONPNPOVWKHCG-RVKKMQEKSA-N 2 1 272.436 3.556 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(F)c1 ZINC000624123738 1117987651 /nfs/dbraw/zinc/98/76/51/1117987651.db2.gz RVKLLIKBYSUEIZ-PBHICJAKSA-N 2 1 278.415 3.598 20 0 CHADMP C[C@H]1CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000353816452 1117995895 /nfs/dbraw/zinc/99/58/95/1117995895.db2.gz MOKHSSATWKATFR-BYUNMRKYSA-N 2 1 284.447 3.570 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(F)c(C2CC2)c1 ZINC001238516500 1117998138 /nfs/dbraw/zinc/99/81/38/1117998138.db2.gz PCEZQIHNZLSJEY-UHFFFAOYSA-N 2 1 292.442 3.867 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)CCCc2ccccc2Cl)CC[N@@H+]1C ZINC000181946441 1118010685 /nfs/dbraw/zinc/01/06/85/1118010685.db2.gz PNHLEEPAFOLPJC-HOCLYGCPSA-N 2 1 294.870 3.687 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)CCCc2ccccc2Cl)CC[N@H+]1C ZINC000181946441 1118010689 /nfs/dbraw/zinc/01/06/89/1118010689.db2.gz PNHLEEPAFOLPJC-HOCLYGCPSA-N 2 1 294.870 3.687 20 0 CHADMP C[C@H]1C[C@@H]([N@H+](C)CCCc2ccccc2Cl)CC[NH+]1C ZINC000181946441 1118010693 /nfs/dbraw/zinc/01/06/93/1118010693.db2.gz PNHLEEPAFOLPJC-HOCLYGCPSA-N 2 1 294.870 3.687 20 0 CHADMP C[C@H]1C[C@@H]([N@@H+](C)CCCc2ccccc2Cl)CC[NH+]1C ZINC000181946441 1118010699 /nfs/dbraw/zinc/01/06/99/1118010699.db2.gz PNHLEEPAFOLPJC-HOCLYGCPSA-N 2 1 294.870 3.687 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cccc(Cl)c1 ZINC000037644052 1118033397 /nfs/dbraw/zinc/03/33/97/1118033397.db2.gz VMJWEHDTNXYKHC-XJKSGUPXSA-N 2 1 280.843 3.723 20 0 CHADMP CCC[C@H]([NH2+]CC[C@@H](C)[NH+]1CCCCC1)c1ccccn1 ZINC000184500995 1118054911 /nfs/dbraw/zinc/05/49/11/1118054911.db2.gz JDCGLMATYOOJHK-SJORKVTESA-N 2 1 289.467 3.777 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000579614341 1128753249 /nfs/dbraw/zinc/75/32/49/1128753249.db2.gz ZYCUCASDLSFOMH-MRXNPFEDSA-N 2 1 299.462 3.770 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(C)cc1 ZINC000349145967 1118084564 /nfs/dbraw/zinc/08/45/64/1118084564.db2.gz GISXAJVSFHZHRP-UHFFFAOYSA-N 2 1 285.435 3.666 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(C)cc1 ZINC000349145967 1118084568 /nfs/dbraw/zinc/08/45/68/1118084568.db2.gz GISXAJVSFHZHRP-UHFFFAOYSA-N 2 1 285.435 3.666 20 0 CHADMP CC(C)C[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398145552 1118088476 /nfs/dbraw/zinc/08/84/76/1118088476.db2.gz XLXWDAIRXWEVPS-LNLFQRSKSA-N 2 1 288.479 3.921 20 0 CHADMP CC(C)C[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398145552 1118088478 /nfs/dbraw/zinc/08/84/78/1118088478.db2.gz XLXWDAIRXWEVPS-LNLFQRSKSA-N 2 1 288.479 3.921 20 0 CHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccsc3Cl)C2)CC1 ZINC000349149158 1118088524 /nfs/dbraw/zinc/08/85/24/1118088524.db2.gz LFQLLXCNQNKMMP-ZDUSSCGKSA-N 2 1 298.883 3.565 20 0 CHADMP CCC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398144261 1118089111 /nfs/dbraw/zinc/08/91/11/1118089111.db2.gz NJZYINDYJAWFAU-FUHWJXTLSA-N 2 1 288.479 3.923 20 0 CHADMP CCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398144261 1118089115 /nfs/dbraw/zinc/08/91/15/1118089115.db2.gz NJZYINDYJAWFAU-FUHWJXTLSA-N 2 1 288.479 3.923 20 0 CHADMP CC(C)CCCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250603816 1118168007 /nfs/dbraw/zinc/16/80/07/1118168007.db2.gz UPUWPTALMFMZGC-SJORKVTESA-N 2 1 266.473 3.809 20 0 CHADMP Cc1ccccc1[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000019913124 1118172633 /nfs/dbraw/zinc/17/26/33/1118172633.db2.gz DETXMEJAXMRPJH-SJORKVTESA-N 2 1 274.452 3.910 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCc2cc(C)cc(C)c21 ZINC000655709397 1118189916 /nfs/dbraw/zinc/18/99/16/1118189916.db2.gz ZBGFTKQBSJQVSE-KSSFIOAISA-N 2 1 297.446 3.722 20 0 CHADMP CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000121487077 1118229589 /nfs/dbraw/zinc/22/95/89/1118229589.db2.gz BSIZYJQXWABHGE-YCPHGPKFSA-N 2 1 265.445 3.632 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]C/C=C\c1cc(C)c(C)cc1C ZINC001648832998 1118245330 /nfs/dbraw/zinc/24/53/30/1118245330.db2.gz WJCTYXRFZKONQM-ALCCZGGFSA-N 2 1 297.446 3.810 20 0 CHADMP CC[C@H](Cc1ccccc1)[N@H+](CC)CCCc1c[nH+]cn1C ZINC000579974446 1118267180 /nfs/dbraw/zinc/26/71/80/1118267180.db2.gz GIPSIVCQMBYMDF-GOSISDBHSA-N 2 1 299.462 3.696 20 0 CHADMP CC[C@H](Cc1ccccc1)[N@@H+](CC)CCCc1c[nH+]cn1C ZINC000579974446 1118267185 /nfs/dbraw/zinc/26/71/85/1118267185.db2.gz GIPSIVCQMBYMDF-GOSISDBHSA-N 2 1 299.462 3.696 20 0 CHADMP C[C@@H](NCCC[N@@H+](C)C1CCCCC1)c1ccncc1F ZINC000340471897 1118278375 /nfs/dbraw/zinc/27/83/75/1118278375.db2.gz ZDSZNBCJLRKGQX-CQSZACIVSA-N 2 1 293.430 3.526 20 0 CHADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001167326848 1118298479 /nfs/dbraw/zinc/29/84/79/1118298479.db2.gz UQAIKMYWLQAOJI-OKYOBFRVSA-N 2 1 290.495 3.621 20 0 CHADMP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc(OC(C)(C)C)cc[nH+]1 ZINC001168602528 1118368156 /nfs/dbraw/zinc/36/81/56/1118368156.db2.gz RHDGUMZIBSBSPK-GJZGRUSLSA-N 2 1 291.439 3.544 20 0 CHADMP C[C@@H]1CC([NH2+]CCC[N@@H+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000084462046 1118378152 /nfs/dbraw/zinc/37/81/52/1118378152.db2.gz JFUZFIIRAROQPS-IRXDYDNUSA-N 2 1 288.479 3.923 20 0 CHADMP CCC[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1cccs1 ZINC000086818934 1118399280 /nfs/dbraw/zinc/39/92/80/1118399280.db2.gz KTOJMQRFGBMGBM-UONOGXRCSA-N 2 1 266.454 3.663 20 0 CHADMP CC[N@H+](CC[NH2+][C@@H]1CCC[C@H](C(C)C)C1)C(C)C ZINC001655491956 1118404913 /nfs/dbraw/zinc/40/49/13/1118404913.db2.gz LNDZXODZMQIEEA-JKSUJKDBSA-N 2 1 254.462 3.521 20 0 CHADMP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@H](C(C)C)C1)C(C)C ZINC001655491956 1118404917 /nfs/dbraw/zinc/40/49/17/1118404917.db2.gz LNDZXODZMQIEEA-JKSUJKDBSA-N 2 1 254.462 3.521 20 0 CHADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000765783200 1118405264 /nfs/dbraw/zinc/40/52/64/1118405264.db2.gz KOTJZJFGDBDXTD-QFBILLFUSA-N 2 1 286.463 3.692 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C=CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379654487 1118422141 /nfs/dbraw/zinc/42/21/41/1118422141.db2.gz IRBSGCFTVVLZGM-BHIYHBOVSA-N 2 1 284.447 3.738 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C=CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000379654487 1118422149 /nfs/dbraw/zinc/42/21/49/1118422149.db2.gz IRBSGCFTVVLZGM-BHIYHBOVSA-N 2 1 284.447 3.738 20 0 CHADMP C[NH+](C)C(C)(C)CNc1cc[nH+]c2ccc(Cl)cc12 ZINC000302534175 1118463376 /nfs/dbraw/zinc/46/33/76/1118463376.db2.gz GGHFZZDQRBLIME-UHFFFAOYSA-N 2 1 277.799 3.640 20 0 CHADMP CCC[NH+]1CCC([N@H+](C)C/C=C\c2ccc(F)cc2)CC1 ZINC000255612998 1118480854 /nfs/dbraw/zinc/48/08/54/1118480854.db2.gz LCSZDRQDTJEDNC-PLNGDYQASA-N 2 1 290.426 3.645 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)C/C=C\c2ccc(F)cc2)CC1 ZINC000255612998 1118480856 /nfs/dbraw/zinc/48/08/56/1118480856.db2.gz LCSZDRQDTJEDNC-PLNGDYQASA-N 2 1 290.426 3.645 20 0 CHADMP CCC(CC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398185352 1118497311 /nfs/dbraw/zinc/49/73/11/1118497311.db2.gz LFBCWARMNKTDGT-QAPCUYQASA-N 2 1 274.452 3.675 20 0 CHADMP CCC(CC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398185352 1118497314 /nfs/dbraw/zinc/49/73/14/1118497314.db2.gz LFBCWARMNKTDGT-QAPCUYQASA-N 2 1 274.452 3.675 20 0 CHADMP C[C@H]([NH2+]C1CC2(C1)CCCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000926119912 1118499247 /nfs/dbraw/zinc/49/92/47/1118499247.db2.gz SHPSEFMUZOCBNK-JKSUJKDBSA-N 2 1 290.495 3.952 20 0 CHADMP CCCC(CCC)[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000398339025 1118538021 /nfs/dbraw/zinc/53/80/21/1118538021.db2.gz UPFGHAZGFZEMGD-BWTSREIZSA-N 2 1 286.463 3.675 20 0 CHADMP CCCC(CCC)[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000398339025 1118538023 /nfs/dbraw/zinc/53/80/23/1118538023.db2.gz UPFGHAZGFZEMGD-BWTSREIZSA-N 2 1 286.463 3.675 20 0 CHADMP CCC[C@@H]1CCCC[C@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000548159592 1118566328 /nfs/dbraw/zinc/56/63/28/1118566328.db2.gz ADGAIGOKXUBINP-IAGOWNOFSA-N 2 1 277.456 3.920 20 0 CHADMP CCSc1cccc(C[N@H+](CC)CCC[NH+](C)C)c1 ZINC000349414542 1118587352 /nfs/dbraw/zinc/58/73/52/1118587352.db2.gz GYKKWPOGCGEEAE-UHFFFAOYSA-N 2 1 280.481 3.572 20 0 CHADMP CCSc1cccc(C[N@@H+](CC)CCC[NH+](C)C)c1 ZINC000349414542 1118587357 /nfs/dbraw/zinc/58/73/57/1118587357.db2.gz GYKKWPOGCGEEAE-UHFFFAOYSA-N 2 1 280.481 3.572 20 0 CHADMP CC/C=C/CC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000341282459 1118651634 /nfs/dbraw/zinc/65/16/34/1118651634.db2.gz BVDQECBANVQMSA-SNAWJCMRSA-N 2 1 287.451 3.586 20 0 CHADMP Clc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000656786261 1118656764 /nfs/dbraw/zinc/65/67/64/1118656764.db2.gz QZIBQJZNIPLFNU-ZDUSSCGKSA-N 2 1 298.883 3.613 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647171140 1118659352 /nfs/dbraw/zinc/65/93/52/1118659352.db2.gz AWQCLWGMRGKHFS-OKILXGFUSA-N 2 1 288.426 3.522 20 0 CHADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000126841109 1118733870 /nfs/dbraw/zinc/73/38/70/1118733870.db2.gz WOYVXELLERAPPO-KEYYUXOJSA-N 2 1 260.425 3.540 20 0 CHADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000131520074 1118761293 /nfs/dbraw/zinc/76/12/93/1118761293.db2.gz PAQZEXNTSOUZGE-WBVHZDCISA-N 2 1 280.415 3.523 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000510694515 1118789318 /nfs/dbraw/zinc/78/93/18/1118789318.db2.gz IKINYVAPNUEEPQ-UKBAYJJMSA-N 2 1 292.511 3.913 20 0 CHADMP FCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000510748970 1118807014 /nfs/dbraw/zinc/80/70/14/1118807014.db2.gz DNWMJNNZWCTJAC-KSZLIROESA-N 2 1 296.474 3.759 20 0 CHADMP FCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000510748970 1118807018 /nfs/dbraw/zinc/80/70/18/1118807018.db2.gz DNWMJNNZWCTJAC-KSZLIROESA-N 2 1 296.474 3.759 20 0 CHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000092588065 1118856904 /nfs/dbraw/zinc/85/69/04/1118856904.db2.gz LIPSRTIJZZDRDZ-HZPDHXFCSA-N 2 1 292.492 3.835 20 0 CHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000092588065 1118856910 /nfs/dbraw/zinc/85/69/10/1118856910.db2.gz LIPSRTIJZZDRDZ-HZPDHXFCSA-N 2 1 292.492 3.835 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000092588065 1118856919 /nfs/dbraw/zinc/85/69/19/1118856919.db2.gz LIPSRTIJZZDRDZ-HZPDHXFCSA-N 2 1 292.492 3.835 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000092588065 1118856923 /nfs/dbraw/zinc/85/69/23/1118856923.db2.gz LIPSRTIJZZDRDZ-HZPDHXFCSA-N 2 1 292.492 3.835 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(C)sc2C)C1 ZINC000151100204 1118921442 /nfs/dbraw/zinc/92/14/42/1118921442.db2.gz IOVGXPJSGSFZPD-DZGCQCFKSA-N 2 1 280.481 3.747 20 0 CHADMP CC[C@H](C)[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001167503516 1118943090 /nfs/dbraw/zinc/94/30/90/1118943090.db2.gz AUOBAZKPIKYWKF-YQVWRLOYSA-N 2 1 288.479 3.875 20 0 CHADMP CC[C@H](C)[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001167503516 1118943091 /nfs/dbraw/zinc/94/30/91/1118943091.db2.gz AUOBAZKPIKYWKF-YQVWRLOYSA-N 2 1 288.479 3.875 20 0 CHADMP Cc1ccc([C@H](C)C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000628183960 1128823421 /nfs/dbraw/zinc/82/34/21/1128823421.db2.gz UTJRPEMYZCWSQW-SOLBZPMBSA-N 2 1 274.452 3.513 20 0 CHADMP Cc1ccc([C@H](C)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000628183960 1128823425 /nfs/dbraw/zinc/82/34/25/1128823425.db2.gz UTJRPEMYZCWSQW-SOLBZPMBSA-N 2 1 274.452 3.513 20 0 CHADMP Cc1ccc([C@H](C)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000628183960 1128823429 /nfs/dbraw/zinc/82/34/29/1128823429.db2.gz UTJRPEMYZCWSQW-SOLBZPMBSA-N 2 1 274.452 3.513 20 0 CHADMP Cc1ccc([C@H](C)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000628183960 1128823433 /nfs/dbraw/zinc/82/34/33/1128823433.db2.gz UTJRPEMYZCWSQW-SOLBZPMBSA-N 2 1 274.452 3.513 20 0 CHADMP Cc1ccc([C@H](C)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000628183960 1128823437 /nfs/dbraw/zinc/82/34/37/1128823437.db2.gz UTJRPEMYZCWSQW-SOLBZPMBSA-N 2 1 274.452 3.513 20 0 CHADMP Cc1[nH+]ccn1CCC[NH+]1CCC(CCC(C)C)CC1 ZINC000342858176 1119210707 /nfs/dbraw/zinc/21/07/07/1119210707.db2.gz BFLKNCLBFRDZEW-UHFFFAOYSA-N 2 1 277.456 3.730 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](CCc1ccccc1)CC(C)C ZINC000342859896 1119212292 /nfs/dbraw/zinc/21/22/92/1119212292.db2.gz KZLUXJPXTDYHBZ-UHFFFAOYSA-N 2 1 299.462 3.782 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](CCc1ccccc1)CC(C)C ZINC000342859896 1119212293 /nfs/dbraw/zinc/21/22/93/1119212293.db2.gz KZLUXJPXTDYHBZ-UHFFFAOYSA-N 2 1 299.462 3.782 20 0 CHADMP CC[N@H+](CCCn1cc[nH+]c1C)Cc1ccc(Cl)cc1 ZINC000342858553 1119213367 /nfs/dbraw/zinc/21/33/67/1119213367.db2.gz AQZDPAYGJAUHQF-UHFFFAOYSA-N 2 1 291.826 3.757 20 0 CHADMP CC[N@@H+](CCCn1cc[nH+]c1C)Cc1ccc(Cl)cc1 ZINC000342858553 1119213370 /nfs/dbraw/zinc/21/33/70/1119213370.db2.gz AQZDPAYGJAUHQF-UHFFFAOYSA-N 2 1 291.826 3.757 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000342860573 1119215480 /nfs/dbraw/zinc/21/54/80/1119215480.db2.gz PIRIBHPYPXFYNW-LPHOPBHVSA-N 2 1 297.446 3.707 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000342860573 1119215481 /nfs/dbraw/zinc/21/54/81/1119215481.db2.gz PIRIBHPYPXFYNW-LPHOPBHVSA-N 2 1 297.446 3.707 20 0 CHADMP CCC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119674258 1119219507 /nfs/dbraw/zinc/21/95/07/1119219507.db2.gz ULDDZCMVGMUHMS-SFHVURJKSA-N 2 1 286.463 3.614 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc2cnccc2c1 ZINC000319025410 1119317086 /nfs/dbraw/zinc/31/70/86/1119317086.db2.gz FKYWULDOUKWNKS-MRXNPFEDSA-N 2 1 297.446 3.589 20 0 CHADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000349855328 1119320418 /nfs/dbraw/zinc/32/04/18/1119320418.db2.gz XLEOMOLKXVLSKQ-RYRKJORJSA-N 2 1 286.463 3.753 20 0 CHADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000349855328 1119320422 /nfs/dbraw/zinc/32/04/22/1119320422.db2.gz XLEOMOLKXVLSKQ-RYRKJORJSA-N 2 1 286.463 3.753 20 0 CHADMP CC[N@@H+](Cc1csc2ccccc12)C1CCN(C)CC1 ZINC001140638364 1119331931 /nfs/dbraw/zinc/33/19/31/1119331931.db2.gz MQXQIDOUMYCQAX-UHFFFAOYSA-N 2 1 288.460 3.817 20 0 CHADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCC(F)(F)CC1 ZINC000647284443 1119335296 /nfs/dbraw/zinc/33/52/96/1119335296.db2.gz QNGYCNXERDEKRV-MJBXVCDLSA-N 2 1 288.426 3.520 20 0 CHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCC(F)(F)CC1 ZINC000647284443 1119335297 /nfs/dbraw/zinc/33/52/97/1119335297.db2.gz QNGYCNXERDEKRV-MJBXVCDLSA-N 2 1 288.426 3.520 20 0 CHADMP Cc1cccc2c1cc[nH+]c2N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000583500431 1119368813 /nfs/dbraw/zinc/36/88/13/1119368813.db2.gz WOTUEHGNTSDZBC-SFHVURJKSA-N 2 1 295.430 3.512 20 0 CHADMP CCC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCC)C1)c1ccccc1 ZINC000151094549 1119392836 /nfs/dbraw/zinc/39/28/36/1119392836.db2.gz NWRGRGQINNVIRD-SJLPKXTDSA-N 2 1 274.452 3.849 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC000151130973 1119408885 /nfs/dbraw/zinc/40/88/85/1119408885.db2.gz QJWYENWLEKEFIT-IRXDYDNUSA-N 2 1 274.452 3.720 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C3(C4CC4)CC3)CC23CC3)cc1 ZINC000583811863 1119415695 /nfs/dbraw/zinc/41/56/95/1119415695.db2.gz DBPZZPQNBUFZFO-GOSISDBHSA-N 2 1 296.458 3.716 20 0 CHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C3(C4CC4)CC3)CC23CC3)cc1 ZINC000583811863 1119415697 /nfs/dbraw/zinc/41/56/97/1119415697.db2.gz DBPZZPQNBUFZFO-GOSISDBHSA-N 2 1 296.458 3.716 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000562078081 1119416798 /nfs/dbraw/zinc/41/67/98/1119416798.db2.gz RSWQIKPZCNPUCU-IKGGRYGDSA-N 2 1 280.500 3.769 20 0 CHADMP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000157481940 1119436086 /nfs/dbraw/zinc/43/60/86/1119436086.db2.gz XMZUCWAPIAIUSZ-XWIAVFTESA-N 2 1 266.388 3.790 20 0 CHADMP CCC(CC)(C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000151212121 1119437530 /nfs/dbraw/zinc/43/75/30/1119437530.db2.gz RVJKRPZPAXYZKT-AEFFLSMTSA-N 2 1 288.479 3.817 20 0 CHADMP C[N@@H+](CCC[NH2+][C@H]1CCCSCC1)C1CCCCC1 ZINC000657829944 1119480292 /nfs/dbraw/zinc/48/02/92/1119480292.db2.gz JOLAQKUXTLJIOX-HNNXBMFYSA-N 2 1 284.513 3.516 20 0 CHADMP CC[C@H]1c2ccccc2CC[N@H+]1CCCn1cc[nH+]c1C ZINC000127359865 1119487698 /nfs/dbraw/zinc/48/76/98/1119487698.db2.gz VZYUTYKVPNDDCC-SFHVURJKSA-N 2 1 283.419 3.591 20 0 CHADMP CC[C@H]1c2ccccc2CC[N@@H+]1CCCn1cc[nH+]c1C ZINC000127359865 1119487699 /nfs/dbraw/zinc/48/76/99/1119487699.db2.gz VZYUTYKVPNDDCC-SFHVURJKSA-N 2 1 283.419 3.591 20 0 CHADMP CC[NH+]1CCC(N[C@@H](C)c2sc(C(C)C)nc2C)CC1 ZINC000159272777 1119488535 /nfs/dbraw/zinc/48/85/35/1119488535.db2.gz XFINNBWXPHJAFX-LBPRGKRZSA-N 2 1 295.496 3.710 20 0 CHADMP C[C@H](c1ccc(F)cc1)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081631274 1119519854 /nfs/dbraw/zinc/51/98/54/1119519854.db2.gz FSFOCNIPMNVUNJ-GDBMZVCRSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081631274 1119519858 /nfs/dbraw/zinc/51/98/58/1119519858.db2.gz FSFOCNIPMNVUNJ-GDBMZVCRSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081631274 1119519862 /nfs/dbraw/zinc/51/98/62/1119519862.db2.gz FSFOCNIPMNVUNJ-GDBMZVCRSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@H](c1ccc(F)cc1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081631274 1119519866 /nfs/dbraw/zinc/51/98/66/1119519866.db2.gz FSFOCNIPMNVUNJ-GDBMZVCRSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@H](c1ccc(F)cc1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081631274 1119519868 /nfs/dbraw/zinc/51/98/68/1119519868.db2.gz FSFOCNIPMNVUNJ-GDBMZVCRSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000708527388 1119520949 /nfs/dbraw/zinc/52/09/49/1119520949.db2.gz COPBKJFCQFWGTE-LFZDHENXSA-N 2 1 298.474 3.533 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CC2(C)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000090220121 1119543791 /nfs/dbraw/zinc/54/37/91/1119543791.db2.gz HQQHFNWLVRPLBC-SJLPKXTDSA-N 2 1 286.463 3.819 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CC2(C)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000090220121 1119543792 /nfs/dbraw/zinc/54/37/92/1119543792.db2.gz HQQHFNWLVRPLBC-SJLPKXTDSA-N 2 1 286.463 3.819 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000092165594 1119559730 /nfs/dbraw/zinc/55/97/30/1119559730.db2.gz RCNPELYODMNDKQ-IEBWSBKVSA-N 2 1 286.463 3.596 20 0 CHADMP C[N@@H+](C1CCC([NH3+])CC1)C1CCC2(CCCC2)CC1 ZINC000129800974 1119567941 /nfs/dbraw/zinc/56/79/41/1119567941.db2.gz WRFOMMXQZVZGAE-UHFFFAOYSA-N 2 1 264.457 3.691 20 0 CHADMP CC[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000093079397 1119569527 /nfs/dbraw/zinc/56/95/27/1119569527.db2.gz IFRUGAZNRJXBNB-XYJFISCASA-N 2 1 274.452 3.533 20 0 CHADMP CC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000093079397 1119569531 /nfs/dbraw/zinc/56/95/31/1119569531.db2.gz IFRUGAZNRJXBNB-XYJFISCASA-N 2 1 274.452 3.533 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](C)CCc2ccccc2)C1 ZINC001648920570 1119595567 /nfs/dbraw/zinc/59/55/67/1119595567.db2.gz CEUHVKKAUUULNS-MJGOQNOKSA-N 2 1 288.479 3.577 20 0 CHADMP Cc1ccc([C@H](C)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000628222149 1119597314 /nfs/dbraw/zinc/59/73/14/1119597314.db2.gz IAGZUOJCFLGQAY-BPIHKTFHSA-N 2 1 286.463 3.703 20 0 CHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccccc3C3CC3)C2)CC1 ZINC000685462832 1119610717 /nfs/dbraw/zinc/61/07/17/1119610717.db2.gz OSLUDFMSYKMWIK-SFHVURJKSA-N 2 1 298.474 3.728 20 0 CHADMP CC(C)(C)C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309643123 1119623647 /nfs/dbraw/zinc/62/36/47/1119623647.db2.gz CTSPSRLKYZHAKC-GOSISDBHSA-N 2 1 274.452 3.534 20 0 CHADMP CC1(C)CC[C@@H]1[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309692640 1119649292 /nfs/dbraw/zinc/64/92/92/1119649292.db2.gz DFTGHQDHFSMDRK-PKOBYXMFSA-N 2 1 286.463 3.677 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccs2)C[C@@H]1c1ccccc1 ZINC000340182705 1119745206 /nfs/dbraw/zinc/74/52/06/1119745206.db2.gz NLDMSCYNHLJWFK-NVXWUHKLSA-N 2 1 286.444 3.673 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccs2)C[C@@H]1c1ccccc1 ZINC000340182705 1119745208 /nfs/dbraw/zinc/74/52/08/1119745208.db2.gz NLDMSCYNHLJWFK-NVXWUHKLSA-N 2 1 286.444 3.673 20 0 CHADMP CCC1(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340301730 1119749961 /nfs/dbraw/zinc/74/99/61/1119749961.db2.gz HCHOBLKDFNEUKM-DLBZAZTESA-N 2 1 272.436 3.602 20 0 CHADMP CCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340301730 1119749964 /nfs/dbraw/zinc/74/99/64/1119749964.db2.gz HCHOBLKDFNEUKM-DLBZAZTESA-N 2 1 272.436 3.602 20 0 CHADMP CCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340301738 1119750131 /nfs/dbraw/zinc/75/01/31/1119750131.db2.gz HCHOBLKDFNEUKM-SJORKVTESA-N 2 1 272.436 3.602 20 0 CHADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340301738 1119750133 /nfs/dbraw/zinc/75/01/33/1119750133.db2.gz HCHOBLKDFNEUKM-SJORKVTESA-N 2 1 272.436 3.602 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(C)CCC2)C[C@H]1c1ccccc1 ZINC000340304763 1119750923 /nfs/dbraw/zinc/75/09/23/1119750923.db2.gz WQEQRMDFZOTDLV-SJORKVTESA-N 2 1 272.436 3.602 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CC2(C)CCC2)C[C@H]1c1ccccc1 ZINC000340304763 1119750926 /nfs/dbraw/zinc/75/09/26/1119750926.db2.gz WQEQRMDFZOTDLV-SJORKVTESA-N 2 1 272.436 3.602 20 0 CHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC000472477054 1119844512 /nfs/dbraw/zinc/84/45/12/1119844512.db2.gz KXJGCZITFMMHFS-SFHVURJKSA-N 2 1 278.484 3.621 20 0 CHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC000472477054 1119844518 /nfs/dbraw/zinc/84/45/18/1119844518.db2.gz KXJGCZITFMMHFS-SFHVURJKSA-N 2 1 278.484 3.621 20 0 CHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC000472477054 1119844522 /nfs/dbraw/zinc/84/45/22/1119844522.db2.gz KXJGCZITFMMHFS-SFHVURJKSA-N 2 1 278.484 3.621 20 0 CHADMP Cc1cc(F)ccc1C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001140780413 1119905603 /nfs/dbraw/zinc/90/56/03/1119905603.db2.gz ZZORTNRFHBBHDA-UHFFFAOYSA-N 2 1 292.442 3.686 20 0 CHADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000414172336 1119925936 /nfs/dbraw/zinc/92/59/36/1119925936.db2.gz DXAUZFYJQOABOW-DZGCQCFKSA-N 2 1 266.454 3.521 20 0 CHADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cc(F)ccc1F ZINC000414187596 1119932060 /nfs/dbraw/zinc/93/20/60/1119932060.db2.gz QCRDIGKFVIHEAZ-SUMWQHHRSA-N 2 1 296.405 3.737 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)c(Cl)c1 ZINC000414203402 1119935840 /nfs/dbraw/zinc/93/58/40/1119935840.db2.gz ZYXTZUOFKKPZSO-OLZOCXBDSA-N 2 1 298.833 3.862 20 0 CHADMP CC[N@H+](Cc1cccs1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140805126 1119954948 /nfs/dbraw/zinc/95/49/48/1119954948.db2.gz SSNBYKUKEDTHHR-UHFFFAOYSA-N 2 1 271.389 3.647 20 0 CHADMP CC[N@@H+](Cc1cccs1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140805126 1119954951 /nfs/dbraw/zinc/95/49/51/1119954951.db2.gz SSNBYKUKEDTHHR-UHFFFAOYSA-N 2 1 271.389 3.647 20 0 CHADMP CC1(C)CCC(C)(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000414258900 1119958943 /nfs/dbraw/zinc/95/89/43/1119958943.db2.gz XSOOMNZBXICQQB-JKSUJKDBSA-N 2 1 278.484 3.809 20 0 CHADMP Cc1occc1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000414304053 1119973518 /nfs/dbraw/zinc/97/35/18/1119973518.db2.gz OLSAROSOVOGSOM-UHFFFAOYSA-N 2 1 286.419 3.718 20 0 CHADMP C[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000187363874 1120018660 /nfs/dbraw/zinc/01/86/60/1120018660.db2.gz AKZHTOMUPPLXEV-JKIFEVAISA-N 2 1 294.870 3.858 20 0 CHADMP C[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000187363874 1120018665 /nfs/dbraw/zinc/01/86/65/1120018665.db2.gz AKZHTOMUPPLXEV-JKIFEVAISA-N 2 1 294.870 3.858 20 0 CHADMP C[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000187363874 1120018669 /nfs/dbraw/zinc/01/86/69/1120018669.db2.gz AKZHTOMUPPLXEV-JKIFEVAISA-N 2 1 294.870 3.858 20 0 CHADMP C[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000187363874 1120018674 /nfs/dbraw/zinc/01/86/74/1120018674.db2.gz AKZHTOMUPPLXEV-JKIFEVAISA-N 2 1 294.870 3.858 20 0 CHADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccnc(Cl)c2)CC1 ZINC000164480615 1120034581 /nfs/dbraw/zinc/03/45/81/1120034581.db2.gz ODWNGIVEEZQERV-ZDUSSCGKSA-N 2 1 295.858 3.650 20 0 CHADMP Cc1ccc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cn1 ZINC000155609414 1120042440 /nfs/dbraw/zinc/04/24/40/1120042440.db2.gz SGWBBDZDBQEQTQ-UHFFFAOYSA-N 2 1 297.446 3.520 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc2ccccc2o1 ZINC000624120104 1120056991 /nfs/dbraw/zinc/05/69/91/1120056991.db2.gz RJOQOROWNUUUTG-LSDHHAIUSA-N 2 1 286.419 3.815 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc2ccccc2o1 ZINC000624120104 1120056996 /nfs/dbraw/zinc/05/69/96/1120056996.db2.gz RJOQOROWNUUUTG-LSDHHAIUSA-N 2 1 286.419 3.815 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C=CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000090393495 1120060507 /nfs/dbraw/zinc/06/05/07/1120060507.db2.gz IRBSGCFTVVLZGM-NEWSRXKRSA-N 2 1 284.447 3.738 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C=CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000090393495 1120060511 /nfs/dbraw/zinc/06/05/11/1120060511.db2.gz IRBSGCFTVVLZGM-NEWSRXKRSA-N 2 1 284.447 3.738 20 0 CHADMP CC(C)C1CCC(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000181481005 1120103820 /nfs/dbraw/zinc/10/38/20/1120103820.db2.gz DCMXULLREQNWKP-ZGRYLRDCSA-N 2 1 266.473 3.521 20 0 CHADMP CC(C)[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccccc1F ZINC000661483040 1120135012 /nfs/dbraw/zinc/13/50/12/1120135012.db2.gz FKWBPCJVSBTCGP-YOEHRIQHSA-N 2 1 278.415 3.597 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CC[C@H]1CCCC[NH+]1C ZINC000472730399 1120156229 /nfs/dbraw/zinc/15/62/29/1120156229.db2.gz BHFFNAOHOCPZLK-NZSAHSFTSA-N 2 1 286.463 3.739 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2)C[NH+]1CC[C@H]1CCCC[N@@H+]1C ZINC000472730399 1120156231 /nfs/dbraw/zinc/15/62/31/1120156231.db2.gz BHFFNAOHOCPZLK-NZSAHSFTSA-N 2 1 286.463 3.739 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236819879 1128898309 /nfs/dbraw/zinc/89/83/09/1128898309.db2.gz OWSAQBWSZCNOGC-SHWSTLTGSA-N 2 1 264.457 3.572 20 0 CHADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCC[C@@H](CC(C)C)C1 ZINC000300666775 1120207076 /nfs/dbraw/zinc/20/70/76/1120207076.db2.gz HUZPCBSKOHHYFZ-ULQDDVLXSA-N 2 1 268.489 3.911 20 0 CHADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H](CC(C)C)C1 ZINC000300666775 1120207080 /nfs/dbraw/zinc/20/70/80/1120207080.db2.gz HUZPCBSKOHHYFZ-ULQDDVLXSA-N 2 1 268.489 3.911 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C2CCC(F)(F)CC2)C1 ZINC001116755522 1120208220 /nfs/dbraw/zinc/20/82/20/1120208220.db2.gz LIWLDLISDSKKPT-UONOGXRCSA-N 2 1 288.426 3.522 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@H]2CC3CCC2CC3)C1 ZINC000394428743 1120218672 /nfs/dbraw/zinc/21/86/72/1120218672.db2.gz AUOIFVURPWVKFV-JDIAZBHJSA-N 2 1 278.484 3.521 20 0 CHADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000086943284 1120222735 /nfs/dbraw/zinc/22/27/35/1120222735.db2.gz CAOQWYQGABJRFO-HZPDHXFCSA-N 2 1 278.484 3.808 20 0 CHADMP CC1(C)CC([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000395305035 1120229163 /nfs/dbraw/zinc/22/91/63/1120229163.db2.gz UIVCWGDTARIGBM-LJQANCHMSA-N 2 1 286.463 3.677 20 0 CHADMP CCC[N@H+](Cc1ccccc1SCC)C[C@@H]1CC[NH2+]C1 ZINC001236843427 1128905294 /nfs/dbraw/zinc/90/52/94/1128905294.db2.gz IJNBHQCMUXDSFW-OAHLLOKOSA-N 2 1 292.492 3.620 20 0 CHADMP C(CC1CCC1)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000659944338 1120299859 /nfs/dbraw/zinc/29/98/59/1120299859.db2.gz JGIVIBGQDKLFEQ-KRWDZBQOSA-N 2 1 264.457 3.517 20 0 CHADMP c1ccc2c(c1)CC[C@H]2CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000659947138 1120302439 /nfs/dbraw/zinc/30/24/39/1120302439.db2.gz JIZIDXCSYDUTEJ-MJGOQNOKSA-N 2 1 298.474 3.524 20 0 CHADMP C[N@@H+](CCC1CCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000659970697 1120315784 /nfs/dbraw/zinc/31/57/84/1120315784.db2.gz LDJMOVAFWDLASO-IBGZPJMESA-N 2 1 286.463 3.631 20 0 CHADMP C[NH+](CCC1CCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659970697 1120315787 /nfs/dbraw/zinc/31/57/87/1120315787.db2.gz LDJMOVAFWDLASO-IBGZPJMESA-N 2 1 286.463 3.631 20 0 CHADMP C[NH+](CCC1CCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659970697 1120315791 /nfs/dbraw/zinc/31/57/91/1120315791.db2.gz LDJMOVAFWDLASO-IBGZPJMESA-N 2 1 286.463 3.631 20 0 CHADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000311439693 1120323854 /nfs/dbraw/zinc/32/38/54/1120323854.db2.gz OZYOUBWKWJQTBX-KBPBESRZSA-N 2 1 282.859 3.589 20 0 CHADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000311439693 1120323859 /nfs/dbraw/zinc/32/38/59/1120323859.db2.gz OZYOUBWKWJQTBX-KBPBESRZSA-N 2 1 282.859 3.589 20 0 CHADMP c1cc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)co1 ZINC000309962543 1120345120 /nfs/dbraw/zinc/34/51/20/1120345120.db2.gz JCVOQJJZLGBUKI-SFHVURJKSA-N 2 1 298.430 3.672 20 0 CHADMP c1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)co1 ZINC000309962543 1120345125 /nfs/dbraw/zinc/34/51/25/1120345125.db2.gz JCVOQJJZLGBUKI-SFHVURJKSA-N 2 1 298.430 3.672 20 0 CHADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000312432923 1120362859 /nfs/dbraw/zinc/36/28/59/1120362859.db2.gz AUOBJOZLZONBRQ-KBXCAEBGSA-N 2 1 268.404 3.572 20 0 CHADMP CC(C)c1cccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000660077837 1120366822 /nfs/dbraw/zinc/36/68/22/1120366822.db2.gz QKXOFSKTMRYHBU-QGZVFWFLSA-N 2 1 283.419 3.913 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(SC)c2)[C@@H](C)C1 ZINC000660082991 1120369354 /nfs/dbraw/zinc/36/93/54/1120369354.db2.gz PTAGGTBKIPKIJH-WMLDXEAASA-N 2 1 292.492 3.571 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(SC)c2)[C@@H](C)C1 ZINC000660082991 1120369360 /nfs/dbraw/zinc/36/93/60/1120369360.db2.gz PTAGGTBKIPKIJH-WMLDXEAASA-N 2 1 292.492 3.571 20 0 CHADMP CC(C)=CCC[C@H](C)CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000193090521 1120375177 /nfs/dbraw/zinc/37/51/77/1120375177.db2.gz QDUYWWYKDUKFBX-INIZCTEOSA-N 2 1 278.484 3.975 20 0 CHADMP CCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000680827456 1120377434 /nfs/dbraw/zinc/37/74/34/1120377434.db2.gz XBSFKWDFYZOAAS-JKSUJKDBSA-N 2 1 264.457 3.563 20 0 CHADMP C(CC1CCC1)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000660114220 1120381297 /nfs/dbraw/zinc/38/12/97/1120381297.db2.gz GIXUJUSZQUVWQX-FUHWJXTLSA-N 2 1 276.468 3.515 20 0 CHADMP C(CC1CCC1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000660114220 1120381304 /nfs/dbraw/zinc/38/13/04/1120381304.db2.gz GIXUJUSZQUVWQX-FUHWJXTLSA-N 2 1 276.468 3.515 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC23CCCCC3)C1 ZINC000313042172 1120381604 /nfs/dbraw/zinc/38/16/04/1120381604.db2.gz QNCIMRXVMPZCBT-IAGOWNOFSA-N 2 1 278.484 3.809 20 0 CHADMP C[N@@H+](CC1CC=CC1)[C@H]1CCC[NH+](CC2CC=CC2)CC1 ZINC000660125893 1120388282 /nfs/dbraw/zinc/38/82/82/1120388282.db2.gz QKWSTJCWZALTNT-IBGZPJMESA-N 2 1 288.479 3.705 20 0 CHADMP C[NH+](CC1CC=CC1)[C@H]1CCC[N@H+](CC2CC=CC2)CC1 ZINC000660125893 1120388285 /nfs/dbraw/zinc/38/82/85/1120388285.db2.gz QKWSTJCWZALTNT-IBGZPJMESA-N 2 1 288.479 3.705 20 0 CHADMP C[NH+](CC1CC=CC1)[C@H]1CCC[N@@H+](CC2CC=CC2)CC1 ZINC000660125893 1120388290 /nfs/dbraw/zinc/38/82/90/1120388290.db2.gz QKWSTJCWZALTNT-IBGZPJMESA-N 2 1 288.479 3.705 20 0 CHADMP CCC[C@@H]([NH2+]C[C@H]1CC[N@H+](C(C)C)C1)C1CCCC1 ZINC000313413512 1120396228 /nfs/dbraw/zinc/39/62/28/1120396228.db2.gz QQHKJHNNJSATNL-NVXWUHKLSA-N 2 1 266.473 3.665 20 0 CHADMP C[N@@H+](CCCn1ccnc1)C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000660150506 1120400268 /nfs/dbraw/zinc/40/02/68/1120400268.db2.gz XEIGASAJNWKANV-IEBWSBKVSA-N 2 1 297.446 3.789 20 0 CHADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000629522453 1128914201 /nfs/dbraw/zinc/91/42/01/1128914201.db2.gz AHFFKRGFTGTSHM-RISCZKNCSA-N 2 1 292.810 3.564 20 0 CHADMP Cc1nc(C(C)C)ccc1C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000629536304 1128914227 /nfs/dbraw/zinc/91/42/27/1128914227.db2.gz ISVUZUWXGIIFQL-SFHVURJKSA-N 2 1 289.467 3.511 20 0 CHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC1CC=CC1 ZINC000660166200 1120410901 /nfs/dbraw/zinc/41/09/01/1120410901.db2.gz LSZONFIMAGWCNW-UHFFFAOYSA-N 2 1 299.462 3.586 20 0 CHADMP C[C@H]([NH2+]CC1([NH+](C)C)CCCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417334421 1120429486 /nfs/dbraw/zinc/42/94/86/1120429486.db2.gz ZPJUEYXRGOSLDG-SOUVJXGZSA-N 2 1 292.492 3.704 20 0 CHADMP CCCCCC[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000765976868 1120476691 /nfs/dbraw/zinc/47/66/91/1120476691.db2.gz OLORYYXSHPQHAR-FUHWJXTLSA-N 2 1 296.499 3.578 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000119704770 1120479460 /nfs/dbraw/zinc/47/94/60/1120479460.db2.gz NQKKSPDYDBRVHA-AUUYWEPGSA-N 2 1 284.447 3.841 20 0 CHADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000644784151 1120485169 /nfs/dbraw/zinc/48/51/69/1120485169.db2.gz OUXPMPMNXOZNPH-OXJNMPFZSA-N 2 1 294.442 3.928 20 0 CHADMP C[C@@H](c1cccc2ccccc21)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000644784151 1120485171 /nfs/dbraw/zinc/48/51/71/1120485171.db2.gz OUXPMPMNXOZNPH-OXJNMPFZSA-N 2 1 294.442 3.928 20 0 CHADMP C[C@@H](c1cccc2ccccc21)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000644784151 1120485172 /nfs/dbraw/zinc/48/51/72/1120485172.db2.gz OUXPMPMNXOZNPH-OXJNMPFZSA-N 2 1 294.442 3.928 20 0 CHADMP C[C@H]1CC[C@@](C)(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1(C)C ZINC000657589314 1120497995 /nfs/dbraw/zinc/49/79/95/1120497995.db2.gz IJNAXYFYKXEPNJ-DFGXFYAUSA-N 2 1 278.484 3.665 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCSC2CCCCC2)C[C@@H]1C ZINC000500093432 1120508388 /nfs/dbraw/zinc/50/83/88/1120508388.db2.gz SGQOYUCSZTYTOO-JKSUJKDBSA-N 2 1 298.540 3.857 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCSC2CCCCC2)C[C@@H]1C ZINC000500093432 1120508390 /nfs/dbraw/zinc/50/83/90/1120508390.db2.gz SGQOYUCSZTYTOO-JKSUJKDBSA-N 2 1 298.540 3.857 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCSC2CCCCC2)C[C@@H]1C ZINC000500093432 1120508395 /nfs/dbraw/zinc/50/83/95/1120508395.db2.gz SGQOYUCSZTYTOO-JKSUJKDBSA-N 2 1 298.540 3.857 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000020078449 1120518278 /nfs/dbraw/zinc/51/82/78/1120518278.db2.gz DFQUJHBGOSKQAX-GFCCVEGCSA-N 2 1 286.822 3.862 20 0 CHADMP CC(C)[NH+](CC[NH2+][C@H](C)CCc1ccccc1)C(C)C ZINC000019900999 1120546026 /nfs/dbraw/zinc/54/60/26/1120546026.db2.gz HRENYTRGQDGCHU-QGZVFWFLSA-N 2 1 276.468 3.716 20 0 CHADMP COc1ccccc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000019913029 1120549341 /nfs/dbraw/zinc/54/93/41/1120549341.db2.gz KEUDPXLVXBQUNX-JKSUJKDBSA-N 2 1 290.451 3.610 20 0 CHADMP COc1ccccc1[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000019913029 1120549343 /nfs/dbraw/zinc/54/93/43/1120549343.db2.gz KEUDPXLVXBQUNX-JKSUJKDBSA-N 2 1 290.451 3.610 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@@H+](CC[C@H]2CCc3ccccc32)CC1 ZINC000660416642 1120589793 /nfs/dbraw/zinc/58/97/93/1120589793.db2.gz VEYCAQBLNUBJAH-MSOLQXFVSA-N 2 1 286.463 3.523 20 0 CHADMP CC1=CC[C@@H](CC[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)C1(C)C ZINC001222421117 1120596199 /nfs/dbraw/zinc/59/61/99/1120596199.db2.gz IOLSTFLSWHAFFY-FUHWJXTLSA-N 2 1 276.468 3.587 20 0 CHADMP CC1=CC[C@@H](CC[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)C1(C)C ZINC001222421117 1120596202 /nfs/dbraw/zinc/59/62/02/1120596202.db2.gz IOLSTFLSWHAFFY-FUHWJXTLSA-N 2 1 276.468 3.587 20 0 CHADMP C[C@H](CC1CCCCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253355285 1128928198 /nfs/dbraw/zinc/92/81/98/1128928198.db2.gz UROLOEPFRDYNNB-PVAVHDDUSA-N 2 1 264.457 3.562 20 0 CHADMP CC(C)CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000429044225 1120626943 /nfs/dbraw/zinc/62/69/43/1120626943.db2.gz CJSSUAPMQNBFLF-LJQANCHMSA-N 2 1 288.479 3.877 20 0 CHADMP CC(C)CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000429044225 1120626946 /nfs/dbraw/zinc/62/69/46/1120626946.db2.gz CJSSUAPMQNBFLF-LJQANCHMSA-N 2 1 288.479 3.877 20 0 CHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CC=CC1 ZINC000660485875 1120637468 /nfs/dbraw/zinc/63/74/68/1120637468.db2.gz GIIYPIIQECNWLG-IBGZPJMESA-N 2 1 298.474 3.843 20 0 CHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CC=CC1 ZINC000660485875 1120637471 /nfs/dbraw/zinc/63/74/71/1120637471.db2.gz GIIYPIIQECNWLG-IBGZPJMESA-N 2 1 298.474 3.843 20 0 CHADMP C[C@H](c1cccc(Cl)c1)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660656442 1120674668 /nfs/dbraw/zinc/67/46/68/1120674668.db2.gz UJIAUNNJXSCGHK-PBHICJAKSA-N 2 1 292.854 3.819 20 0 CHADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660659296 1120674697 /nfs/dbraw/zinc/67/46/97/1120674697.db2.gz NZFUGXPTWZAGRN-ROUUACIJSA-N 2 1 272.436 3.555 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000511875834 1120686540 /nfs/dbraw/zinc/68/65/40/1120686540.db2.gz UXIVNDYMBUFOMU-UAFMIMERSA-N 2 1 298.474 3.739 20 0 CHADMP CSc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000282467565 1120694431 /nfs/dbraw/zinc/69/44/31/1120694431.db2.gz GGCHSUJQMWGLSX-MGPQQGTHSA-N 2 1 278.465 3.542 20 0 CHADMP CSc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000282467565 1120694432 /nfs/dbraw/zinc/69/44/32/1120694432.db2.gz GGCHSUJQMWGLSX-MGPQQGTHSA-N 2 1 278.465 3.542 20 0 CHADMP CCC1(CC)CCC([NH2+]CCn2cc[nH+]c2C)CC1 ZINC000651693534 1120713272 /nfs/dbraw/zinc/71/32/72/1120713272.db2.gz SLNDJNZFPLPETL-UHFFFAOYSA-N 2 1 263.429 3.530 20 0 CHADMP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000651705936 1120716886 /nfs/dbraw/zinc/71/68/86/1120716886.db2.gz NGARFHVRZSPZMU-IXDOHACOSA-N 2 1 266.473 3.665 20 0 CHADMP c1cc2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c2s1 ZINC000651863414 1120764807 /nfs/dbraw/zinc/76/48/07/1120764807.db2.gz IBWDLYSSTFUUCX-HOTGVXAUSA-N 2 1 286.444 3.618 20 0 CHADMP CC(C)[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccccc1F ZINC000661483023 1120770470 /nfs/dbraw/zinc/77/04/70/1120770470.db2.gz FKWBPCJVSBTCGP-WMLDXEAASA-N 2 1 278.415 3.597 20 0 CHADMP CC[C@H]1C[C@H]([NH2+]CCC[N@@H+](CC)C2CCCCC2)CCO1 ZINC000651910546 1120775601 /nfs/dbraw/zinc/77/56/01/1120775601.db2.gz YFTHTYHXABSFIT-AEFFLSMTSA-N 2 1 296.499 3.578 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(C)cc1C ZINC000164670965 1120848582 /nfs/dbraw/zinc/84/85/82/1120848582.db2.gz NZPBGNPRIJLHSX-MRXNPFEDSA-N 2 1 285.435 3.939 20 0 CHADMP CCCCC[C@H]1CCCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000662153580 1120886109 /nfs/dbraw/zinc/88/61/09/1120886109.db2.gz GPSFKFMKCPWQRO-INIZCTEOSA-N 2 1 277.456 3.788 20 0 CHADMP CCCCC[C@H]1CCCC[N@H+]1CCCc1c[nH+]cn1C ZINC000662153580 1120886114 /nfs/dbraw/zinc/88/61/14/1120886114.db2.gz GPSFKFMKCPWQRO-INIZCTEOSA-N 2 1 277.456 3.788 20 0 CHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000662245809 1120910774 /nfs/dbraw/zinc/91/07/74/1120910774.db2.gz OZDIRMUXZNMJSC-QFHJOOASSA-N 2 1 286.463 3.630 20 0 CHADMP c1cc([C@@H]2CCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)cs1 ZINC000662250682 1120911837 /nfs/dbraw/zinc/91/18/37/1120911837.db2.gz LTCICOSAWHUZPE-SFHVURJKSA-N 2 1 298.455 3.731 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150801421 1120911891 /nfs/dbraw/zinc/91/18/91/1120911891.db2.gz VNGGTJUTJFIQBP-HUUCEWRRSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150801421 1120911892 /nfs/dbraw/zinc/91/18/92/1120911892.db2.gz VNGGTJUTJFIQBP-HUUCEWRRSA-N 2 1 292.854 3.819 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000221912394 1120935163 /nfs/dbraw/zinc/93/51/63/1120935163.db2.gz NBXAKRLNTZMWJZ-NSHDSACASA-N 2 1 274.861 3.782 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000221912394 1120935165 /nfs/dbraw/zinc/93/51/65/1120935165.db2.gz NBXAKRLNTZMWJZ-NSHDSACASA-N 2 1 274.861 3.782 20 0 CHADMP c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000662263534 1120913352 /nfs/dbraw/zinc/91/33/52/1120913352.db2.gz CBCJCLKQFMKPME-QWFCFKBJSA-N 2 1 298.474 3.571 20 0 CHADMP c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000662263535 1120914085 /nfs/dbraw/zinc/91/40/85/1120914085.db2.gz CBCJCLKQFMKPME-WSTZPKSXSA-N 2 1 298.474 3.571 20 0 CHADMP CCC[N@@H+](CC[C@@H]1CCc2ccccc21)C1CC[NH2+]CC1 ZINC000662264933 1120914106 /nfs/dbraw/zinc/91/41/06/1120914106.db2.gz SEKXXYHLSWGKTG-KRWDZBQOSA-N 2 1 286.463 3.571 20 0 CHADMP c1ccc([C@H]2C[C@@H]([NH2+][C@@H]3C[C@@H]4CCCC[C@H]34)CC[NH2+]2)cc1 ZINC000925764890 1120930695 /nfs/dbraw/zinc/93/06/95/1120930695.db2.gz KMIMJIRBTVEGHB-LTFXXXRZSA-N 2 1 284.447 3.648 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2CCC3(CCCCC3)CC2)CC[N@@H+]1C ZINC000188805865 1120944003 /nfs/dbraw/zinc/94/40/03/1120944003.db2.gz QZTZDIKXPMRTFX-WBVHZDCISA-N 2 1 278.484 3.952 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2CCC3(CCCCC3)CC2)CC[N@H+]1C ZINC000188805865 1120944006 /nfs/dbraw/zinc/94/40/06/1120944006.db2.gz QZTZDIKXPMRTFX-WBVHZDCISA-N 2 1 278.484 3.952 20 0 CHADMP Cc1oc2ccccc2c1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000121245076 1120945525 /nfs/dbraw/zinc/94/55/25/1120945525.db2.gz XNAQELZXTATKPW-UHFFFAOYSA-N 2 1 286.419 3.704 20 0 CHADMP C[NH+](C)Cc1ccc(-c2ccc([C@H]3CC[N@@H+](C)C3)cc2)cc1 ZINC001204661304 1120965407 /nfs/dbraw/zinc/96/54/07/1120965407.db2.gz WDZKPCZUIMEPLA-FQEVSTJZSA-N 2 1 294.442 3.834 20 0 CHADMP CC[N@@H+](C)Cc1cccc(CNc2[nH+]ccc3[nH]ccc32)c1 ZINC000663417865 1120967701 /nfs/dbraw/zinc/96/77/01/1120967701.db2.gz YRUAVAYAPOWFSY-UHFFFAOYSA-N 2 1 294.402 3.627 20 0 CHADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467306 1120981744 /nfs/dbraw/zinc/98/17/44/1120981744.db2.gz DTSHZNQNHRDYSR-OXFYSEKESA-N 2 1 298.474 3.632 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663468827 1120983900 /nfs/dbraw/zinc/98/39/00/1120983900.db2.gz MXIBFIPHVBELNQ-GOEBONIOSA-N 2 1 292.492 3.829 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H]1c1nccs1 ZINC001167836457 1121038317 /nfs/dbraw/zinc/03/83/17/1121038317.db2.gz DTEDEJYDGJMQRG-CABCVRRESA-N 2 1 295.496 3.791 20 0 CHADMP CC[C@H]1CCC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C1 ZINC001167837809 1121041099 /nfs/dbraw/zinc/04/10/99/1121041099.db2.gz MVMJVUSIIPUTMN-HOTGVXAUSA-N 2 1 254.462 3.619 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1Cc2ccccc2C[C@@H]1C ZINC001167841388 1121057733 /nfs/dbraw/zinc/05/77/33/1121057733.db2.gz MAXZLGIAYPANHN-SJORKVTESA-N 2 1 288.479 3.944 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1Cc2ccccc2C[C@H]1C ZINC001167841385 1121058142 /nfs/dbraw/zinc/05/81/42/1121058142.db2.gz MAXZLGIAYPANHN-DLBZAZTESA-N 2 1 288.479 3.944 20 0 CHADMP C[C@@H]1CC[C@@H](c2ccccc2)[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000512199934 1121192412 /nfs/dbraw/zinc/19/24/12/1121192412.db2.gz XUCYQUOKQBUCIR-NEWSRXKRSA-N 2 1 286.463 3.944 20 0 CHADMP C[C@@H]1CC[C@@H](c2ccccc2)[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000512199934 1121192414 /nfs/dbraw/zinc/19/24/14/1121192414.db2.gz XUCYQUOKQBUCIR-NEWSRXKRSA-N 2 1 286.463 3.944 20 0 CHADMP CC(C)[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccn1 ZINC000766083748 1121200461 /nfs/dbraw/zinc/20/04/61/1121200461.db2.gz ZZNDSZZZCKNYJG-KRWDZBQOSA-N 2 1 289.467 3.631 20 0 CHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000512212045 1121202299 /nfs/dbraw/zinc/20/22/99/1121202299.db2.gz MBPKUVHLNTXHMX-MJGOQNOKSA-N 2 1 286.463 3.773 20 0 CHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000512212045 1121202304 /nfs/dbraw/zinc/20/23/04/1121202304.db2.gz MBPKUVHLNTXHMX-MJGOQNOKSA-N 2 1 286.463 3.773 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000512212045 1121202311 /nfs/dbraw/zinc/20/23/11/1121202311.db2.gz MBPKUVHLNTXHMX-MJGOQNOKSA-N 2 1 286.463 3.773 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000512212045 1121202315 /nfs/dbraw/zinc/20/23/15/1121202315.db2.gz MBPKUVHLNTXHMX-MJGOQNOKSA-N 2 1 286.463 3.773 20 0 CHADMP CCCCC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000432657838 1121257862 /nfs/dbraw/zinc/25/78/62/1121257862.db2.gz RAAMVDFMOWZPQR-INIZCTEOSA-N 2 1 292.492 3.882 20 0 CHADMP CC(C)CC[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001175350068 1121291725 /nfs/dbraw/zinc/29/17/25/1121291725.db2.gz HUWUDPNBFRTYGM-QGZVFWFLSA-N 2 1 266.473 3.619 20 0 CHADMP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000512391725 1121305014 /nfs/dbraw/zinc/30/50/14/1121305014.db2.gz PDBZINVTOMNSCR-WMZOPIPTSA-N 2 1 286.463 3.738 20 0 CHADMP C[NH+](C)C1(CNc2cc[nH+]c3cc(Cl)ccc23)CCC1 ZINC000097934053 1121334178 /nfs/dbraw/zinc/33/41/78/1121334178.db2.gz NYNFVKFCVYEZRW-UHFFFAOYSA-N 2 1 289.810 3.784 20 0 CHADMP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000675752428 1121351149 /nfs/dbraw/zinc/35/11/49/1121351149.db2.gz VASYPYWCSHMBOX-MHORFTMASA-N 2 1 278.484 3.808 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C(C)(C)c1ccccc1 ZINC000675752170 1121351593 /nfs/dbraw/zinc/35/15/93/1121351593.db2.gz MFKPHWIJNMLTTG-JQHSSLGASA-N 2 1 286.463 3.569 20 0 CHADMP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000675751858 1121351857 /nfs/dbraw/zinc/35/18/57/1121351857.db2.gz ABZIKGOHANUTDY-TWMKSMIVSA-N 2 1 264.457 3.562 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)c2ccccc2)[C@H](C)C1 ZINC000675770399 1121358354 /nfs/dbraw/zinc/35/83/54/1121358354.db2.gz FFKMYRFUPKLTQE-SJLPKXTDSA-N 2 1 288.479 3.674 20 0 CHADMP Cc1cc(C)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(C)c1 ZINC000512541919 1121422550 /nfs/dbraw/zinc/42/25/50/1121422550.db2.gz JGRFLVZTVJSLPP-JWTNVVGKSA-N 2 1 286.463 3.669 20 0 CHADMP Cc1cc(C)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)c1 ZINC000512541919 1121422552 /nfs/dbraw/zinc/42/25/52/1121422552.db2.gz JGRFLVZTVJSLPP-JWTNVVGKSA-N 2 1 286.463 3.669 20 0 CHADMP Cc1cc(C)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC000512541919 1121422555 /nfs/dbraw/zinc/42/25/55/1121422555.db2.gz JGRFLVZTVJSLPP-JWTNVVGKSA-N 2 1 286.463 3.669 20 0 CHADMP c1ccc2c(c1)cccc2C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000314763619 1121444753 /nfs/dbraw/zinc/44/47/53/1121444753.db2.gz RDKABHUUHFICEH-ICSRJNTNSA-N 2 1 294.442 3.804 20 0 CHADMP Cc1cccc([C@H](C)[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1 ZINC001175767634 1121459473 /nfs/dbraw/zinc/45/94/73/1121459473.db2.gz JGESLLOCYMURTA-IRXDYDNUSA-N 2 1 295.430 3.662 20 0 CHADMP CC1(C)CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000086903873 1121529199 /nfs/dbraw/zinc/52/91/99/1121529199.db2.gz CQPPCIFTKPDXFY-CQSZACIVSA-N 2 1 264.457 3.562 20 0 CHADMP Cc1cccc([C@@H]([NH2+]CCCc2c[nH+]cn2C)C(C)C)c1 ZINC000625984726 1121569225 /nfs/dbraw/zinc/56/92/25/1121569225.db2.gz JLMKOHSFNPVVLE-SFHVURJKSA-N 2 1 285.435 3.648 20 0 CHADMP c1[nH+]c2ccccn2c1Nc1cccc(C[NH+]2CCCC2)c1 ZINC001176194786 1121569809 /nfs/dbraw/zinc/56/98/09/1121569809.db2.gz NLJVTYNIGFIULV-UHFFFAOYSA-N 2 1 292.386 3.674 20 0 CHADMP CC[N@@H+](CCCCCF)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063783 1121593848 /nfs/dbraw/zinc/59/38/48/1121593848.db2.gz PZTUCAGDTCBZFA-UHFFFAOYSA-N 2 1 280.431 3.710 20 0 CHADMP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccoc1 ZINC000094869070 1128997687 /nfs/dbraw/zinc/99/76/87/1128997687.db2.gz RPUFPOBERSCTSA-AWEZNQCLSA-N 2 1 264.413 3.585 20 0 CHADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccoc1 ZINC000094869070 1128997688 /nfs/dbraw/zinc/99/76/88/1128997688.db2.gz RPUFPOBERSCTSA-AWEZNQCLSA-N 2 1 264.413 3.585 20 0 CHADMP Cc1ccc(C)c(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000052004131 1121619700 /nfs/dbraw/zinc/61/97/00/1121619700.db2.gz ZPMGGJLBJJXBBZ-UHFFFAOYSA-N 2 1 286.463 3.754 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000513236993 1121676684 /nfs/dbraw/zinc/67/66/84/1121676684.db2.gz ROWLAOXHDTWBMC-FUHWJXTLSA-N 2 1 274.452 3.801 20 0 CHADMP CC(C)(CC[N@H+]1CCC[C@](C)(C[NH3+])CC1)c1ccccc1 ZINC001206292500 1121709373 /nfs/dbraw/zinc/70/93/73/1121709373.db2.gz CCZHJMGZGPLZGX-IBGZPJMESA-N 2 1 288.479 3.805 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@@H+](CCCc2cccc(Cl)c2)CC1 ZINC001206293464 1121712811 /nfs/dbraw/zinc/71/28/11/1121712811.db2.gz HUWQHHYHZYHKOL-KRWDZBQOSA-N 2 1 294.870 3.724 20 0 CHADMP CC(C)[C@H]1CCC[C@H]([NH2+]C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001177261704 1121720335 /nfs/dbraw/zinc/72/03/35/1121720335.db2.gz ITINYCSDWKCGTK-BDXSIMOUSA-N 2 1 280.500 3.911 20 0 CHADMP CC(C)[C@H]1CCC[C@H]([NH2+]C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001177261704 1121720341 /nfs/dbraw/zinc/72/03/41/1121720341.db2.gz ITINYCSDWKCGTK-BDXSIMOUSA-N 2 1 280.500 3.911 20 0 CHADMP CCC1CCC([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001177295007 1121720951 /nfs/dbraw/zinc/72/09/51/1121720951.db2.gz WAGFALRNLAIJAH-OQSMONGASA-N 2 1 280.500 3.913 20 0 CHADMP Cc1cc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cs1 ZINC001177294393 1121721271 /nfs/dbraw/zinc/72/12/71/1121721271.db2.gz IYRVLFNGXVERRI-ZIAGYGMSSA-N 2 1 280.481 3.514 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206297678 1121721426 /nfs/dbraw/zinc/72/14/26/1121721426.db2.gz ZZQPSTIMOJSKDH-DLBZAZTESA-N 2 1 266.473 3.820 20 0 CHADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccccc1F ZINC001203354203 1121722386 /nfs/dbraw/zinc/72/23/86/1121722386.db2.gz WBJHENPUOXDGKK-IRXDYDNUSA-N 2 1 290.426 3.665 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccccc1F ZINC001203354203 1121722392 /nfs/dbraw/zinc/72/23/92/1121722392.db2.gz WBJHENPUOXDGKK-IRXDYDNUSA-N 2 1 290.426 3.665 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccccc1F ZINC001203354203 1121722397 /nfs/dbraw/zinc/72/23/97/1121722397.db2.gz WBJHENPUOXDGKK-IRXDYDNUSA-N 2 1 290.426 3.665 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccccc1F ZINC001203354203 1121722408 /nfs/dbraw/zinc/72/24/08/1121722408.db2.gz WBJHENPUOXDGKK-IRXDYDNUSA-N 2 1 290.426 3.665 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC001177277670 1121722890 /nfs/dbraw/zinc/72/28/90/1121722890.db2.gz MZVXWEYEKOBEAQ-WNRNVDISSA-N 2 1 278.484 3.831 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC001177277670 1121722893 /nfs/dbraw/zinc/72/28/93/1121722893.db2.gz MZVXWEYEKOBEAQ-WNRNVDISSA-N 2 1 278.484 3.831 20 0 CHADMP C[C@H](CC[N@H+]1CCCC2(CC[NH2+]CC2)C1)CC(C)(C)C ZINC001204727803 1121754651 /nfs/dbraw/zinc/75/46/51/1121754651.db2.gz PWFPJQINDDTPAA-MRXNPFEDSA-N 2 1 280.500 3.914 20 0 CHADMP CCC[C@H]([NH2+]C[C@@H]1CC[N@H+](CCC)C1)c1cc(C)ccn1 ZINC000631573644 1129008614 /nfs/dbraw/zinc/00/86/14/1129008614.db2.gz ZYZDHXJWGCEKLM-IRXDYDNUSA-N 2 1 289.467 3.553 20 0 CHADMP CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCC)C1)c1cc(C)ccn1 ZINC000631573644 1129008620 /nfs/dbraw/zinc/00/86/20/1129008620.db2.gz ZYZDHXJWGCEKLM-IRXDYDNUSA-N 2 1 289.467 3.553 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CCCC[C@@](F)(CN)C1 ZINC001206337677 1121802737 /nfs/dbraw/zinc/80/27/37/1121802737.db2.gz VFDJPBPBDCCWNS-MJSXRHKHSA-N 2 1 270.436 3.666 20 0 CHADMP CC/C=C\CCCCCN1CCCC[C@@](F)(C[NH3+])C1 ZINC001206337677 1121802742 /nfs/dbraw/zinc/80/27/42/1121802742.db2.gz VFDJPBPBDCCWNS-MJSXRHKHSA-N 2 1 270.436 3.666 20 0 CHADMP C[C@H](CCc1c[nH]c2ccccc12)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000631588190 1129010986 /nfs/dbraw/zinc/01/09/86/1129010986.db2.gz SSHFQBMDPBTGOC-INMHGKMJSA-N 2 1 299.462 3.561 20 0 CHADMP C[C@H](CCc1c[nH]c2ccccc12)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000631588190 1129010989 /nfs/dbraw/zinc/01/09/89/1129010989.db2.gz SSHFQBMDPBTGOC-INMHGKMJSA-N 2 1 299.462 3.561 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCC(C(C)C)CC1 ZINC001178855540 1121823944 /nfs/dbraw/zinc/82/39/44/1121823944.db2.gz LPUVENOAGPHDHT-GTPINHCMSA-N 2 1 268.489 3.911 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCC(C(C)C)CC1 ZINC001178855540 1121823955 /nfs/dbraw/zinc/82/39/55/1121823955.db2.gz LPUVENOAGPHDHT-GTPINHCMSA-N 2 1 268.489 3.911 20 0 CHADMP CC[C@H]1CCC[C@@H](C[NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC001178872114 1121825864 /nfs/dbraw/zinc/82/58/64/1121825864.db2.gz DLTVAFGXOXRPEJ-JKSUJKDBSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000619772712 1129013058 /nfs/dbraw/zinc/01/30/58/1129013058.db2.gz YDJUIWWWRXDGLO-BZUAXINKSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000619772712 1129013062 /nfs/dbraw/zinc/01/30/62/1129013062.db2.gz YDJUIWWWRXDGLO-BZUAXINKSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C[C@@H](C)C1 ZINC001179266723 1121865758 /nfs/dbraw/zinc/86/57/58/1121865758.db2.gz WRHQOZFDLLEYHY-ATLSCFEFSA-N 2 1 278.484 3.523 20 0 CHADMP CCC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cc(C)ccn1 ZINC000631636308 1129015743 /nfs/dbraw/zinc/01/57/43/1129015743.db2.gz CFXBUKGPQYSKBP-IRXDYDNUSA-N 2 1 289.467 3.553 20 0 CHADMP CSc1ccccc1[C@@H](C)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000501502522 1121984434 /nfs/dbraw/zinc/98/44/34/1121984434.db2.gz JJTSHHVANFVMOA-HUUCEWRRSA-N 2 1 292.492 3.934 20 0 CHADMP CSc1ccccc1[C@@H](C)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000501502522 1121984443 /nfs/dbraw/zinc/98/44/43/1121984443.db2.gz JJTSHHVANFVMOA-HUUCEWRRSA-N 2 1 292.492 3.934 20 0 CHADMP C[C@@H]([NH3+])C[N@H+]([C@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000420322915 1121995540 /nfs/dbraw/zinc/99/55/40/1121995540.db2.gz SSPKKZMHEXPACE-ZIAGYGMSSA-N 2 1 268.404 3.712 20 0 CHADMP C[C@@H]([NH3+])C[N@@H+]([C@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000420322915 1121995542 /nfs/dbraw/zinc/99/55/42/1121995542.db2.gz SSPKKZMHEXPACE-ZIAGYGMSSA-N 2 1 268.404 3.712 20 0 CHADMP c1ccc2c(c1)CCC[C@@H]2[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000420298418 1121997537 /nfs/dbraw/zinc/99/75/37/1121997537.db2.gz FFWGMXFNJRGXMU-KXBFYZLASA-N 2 1 284.447 3.528 20 0 CHADMP Cc1ccc(C)c([C@H](C)[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)c1 ZINC000420301582 1121998410 /nfs/dbraw/zinc/99/84/10/1121998410.db2.gz LMPWYONJZKJSAA-IRXDYDNUSA-N 2 1 274.452 3.686 20 0 CHADMP Cc1ccccc1[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420320584 1121999530 /nfs/dbraw/zinc/99/95/30/1121999530.db2.gz QRUWXCBBZLGNJV-FUHWJXTLSA-N 2 1 272.436 3.522 20 0 CHADMP CC(C)[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1cccc(Cl)c1 ZINC000420319371 1121999690 /nfs/dbraw/zinc/99/96/90/1121999690.db2.gz PJKGWADPCAKCGH-CQSZACIVSA-N 2 1 280.843 3.550 20 0 CHADMP c1ccc2c(c1)cccc2C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420405061 1122005676 /nfs/dbraw/zinc/00/56/76/1122005676.db2.gz SPFSTDHAHXBMGR-PXNSSMCTSA-N 2 1 294.442 3.804 20 0 CHADMP C[C@H](c1nccc2ccccc21)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC001180872862 1122021313 /nfs/dbraw/zinc/02/13/13/1122021313.db2.gz HLOITTMJKSGSFE-WBVHZDCISA-N 2 1 297.446 3.712 20 0 CHADMP CCC[C@@H]([NH2+]C[C@@H](C)[NH+](CC)CC)[C@H]1CC1(C)C ZINC001181409842 1122055676 /nfs/dbraw/zinc/05/56/76/1122055676.db2.gz FUDKZMQCZSOOOG-RBSFLKMASA-N 2 1 254.462 3.521 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)C1 ZINC000502413712 1122083524 /nfs/dbraw/zinc/08/35/24/1122083524.db2.gz IDTZMBWMTBSFGY-XMTFNYHQSA-N 2 1 278.484 3.523 20 0 CHADMP C[C@@H](C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC001182251105 1122123879 /nfs/dbraw/zinc/12/38/79/1122123879.db2.gz MEBWBBJNQKZXNX-JKSUJKDBSA-N 2 1 266.473 3.524 20 0 CHADMP CC(C)C[C@@H]1CCCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000502855861 1122152052 /nfs/dbraw/zinc/15/20/52/1122152052.db2.gz LMTWWPHZYIJMHI-IRXDYDNUSA-N 2 1 266.473 3.761 20 0 CHADMP CC(C)C[C@@H]1CCCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000502855861 1122152056 /nfs/dbraw/zinc/15/20/56/1122152056.db2.gz LMTWWPHZYIJMHI-IRXDYDNUSA-N 2 1 266.473 3.761 20 0 CHADMP CC(C)C[C@@H]1CCCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000502855861 1122152059 /nfs/dbraw/zinc/15/20/59/1122152059.db2.gz LMTWWPHZYIJMHI-IRXDYDNUSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000503002144 1122161482 /nfs/dbraw/zinc/16/14/82/1122161482.db2.gz BSMDIVJPSOVYOB-JFRXWTBNSA-N 2 1 286.463 3.500 20 0 CHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000503002144 1122161485 /nfs/dbraw/zinc/16/14/85/1122161485.db2.gz BSMDIVJPSOVYOB-JFRXWTBNSA-N 2 1 286.463 3.500 20 0 CHADMP CC(C)CC[C@@H]1CCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000503064605 1122164288 /nfs/dbraw/zinc/16/42/88/1122164288.db2.gz SALMTYUYTHSFKW-SJORKVTESA-N 2 1 266.473 3.761 20 0 CHADMP CC(C)CC[C@@H]1CCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000503064605 1122164290 /nfs/dbraw/zinc/16/42/90/1122164290.db2.gz SALMTYUYTHSFKW-SJORKVTESA-N 2 1 266.473 3.761 20 0 CHADMP CCCCC[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000503072921 1122166145 /nfs/dbraw/zinc/16/61/45/1122166145.db2.gz LOKKUDZGHJNISM-CVEARBPZSA-N 2 1 252.446 3.515 20 0 CHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC001182713763 1122184415 /nfs/dbraw/zinc/18/44/15/1122184415.db2.gz ITRAJMAIAGIGNG-MRXNPFEDSA-N 2 1 294.458 3.714 20 0 CHADMP Cc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)ccc1Cl ZINC001206556440 1122204726 /nfs/dbraw/zinc/20/47/26/1122204726.db2.gz RXCNUYBDAUKXBF-INIZCTEOSA-N 2 1 280.843 3.599 20 0 CHADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2c(Cl)[nH]c3ccccc32)CC1 ZINC001205266984 1122221215 /nfs/dbraw/zinc/22/12/15/1122221215.db2.gz ZHSSHNLVAJULMN-MRXNPFEDSA-N 2 1 291.826 3.525 20 0 CHADMP CC[C@@H]1CCC[C@H](C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)C1 ZINC001184290332 1122269048 /nfs/dbraw/zinc/26/90/48/1122269048.db2.gz KBMGAPOEVADUEK-BCYZHJNNSA-N 2 1 292.511 3.865 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205296218 1122274928 /nfs/dbraw/zinc/27/49/28/1122274928.db2.gz JGMBHJSSQWDJAZ-ULQDDVLXSA-N 2 1 266.473 3.676 20 0 CHADMP CC(C)c1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1Cl ZINC001205317309 1122301846 /nfs/dbraw/zinc/30/18/46/1122301846.db2.gz NKWDPGYQQPFLGJ-ZFWWWQNUSA-N 2 1 294.870 3.880 20 0 CHADMP CC(C)c1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1Cl ZINC001205317309 1122301850 /nfs/dbraw/zinc/30/18/50/1122301850.db2.gz NKWDPGYQQPFLGJ-ZFWWWQNUSA-N 2 1 294.870 3.880 20 0 CHADMP C[C@@H](CC1CCCCC1)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430115202 1122406498 /nfs/dbraw/zinc/40/64/98/1122406498.db2.gz FWQHXPHIHMUJBG-FUHWJXTLSA-N 2 1 278.484 3.621 20 0 CHADMP C[C@@H](CC1CCCCC1)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000430115202 1122406502 /nfs/dbraw/zinc/40/65/02/1122406502.db2.gz FWQHXPHIHMUJBG-FUHWJXTLSA-N 2 1 278.484 3.621 20 0 CHADMP C[C@@H](CC1CCCCC1)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000430115202 1122406505 /nfs/dbraw/zinc/40/65/05/1122406505.db2.gz FWQHXPHIHMUJBG-FUHWJXTLSA-N 2 1 278.484 3.621 20 0 CHADMP CC[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1OC ZINC000775077158 1122417882 /nfs/dbraw/zinc/41/78/82/1122417882.db2.gz KIRIHQRCAJANIJ-DOTOQJQBSA-N 2 1 290.451 3.610 20 0 CHADMP CC[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccccc1OC ZINC000775077158 1122417885 /nfs/dbraw/zinc/41/78/85/1122417885.db2.gz KIRIHQRCAJANIJ-DOTOQJQBSA-N 2 1 290.451 3.610 20 0 CHADMP COCC[NH+]1CCC([NH2+][C@@H](CCC(C)C)C(C)(C)C)CC1 ZINC000514628642 1122434556 /nfs/dbraw/zinc/43/45/56/1122434556.db2.gz RICUTDKURHSGDQ-KRWDZBQOSA-N 2 1 298.515 3.538 20 0 CHADMP C[N@@H+](Cc1ccc(-c2ccccc2)o1)[C@@H]1CCC[NH2+]CC1 ZINC000435430867 1122465156 /nfs/dbraw/zinc/46/51/56/1122465156.db2.gz APQYVAIMTKRYPM-MRXNPFEDSA-N 2 1 284.403 3.521 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000514991470 1122468150 /nfs/dbraw/zinc/46/81/50/1122468150.db2.gz VBSOTMNRXCSQIG-QZTJIDSGSA-N 2 1 288.479 3.748 20 0 CHADMP CC[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000515093834 1122476252 /nfs/dbraw/zinc/47/62/52/1122476252.db2.gz SCNBEDUCJZOODS-XDNAFOTISA-N 2 1 278.484 3.619 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000515093834 1122476255 /nfs/dbraw/zinc/47/62/55/1122476255.db2.gz SCNBEDUCJZOODS-XDNAFOTISA-N 2 1 278.484 3.619 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000515093834 1122476257 /nfs/dbraw/zinc/47/62/57/1122476257.db2.gz SCNBEDUCJZOODS-XDNAFOTISA-N 2 1 278.484 3.619 20 0 CHADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000435745294 1122487666 /nfs/dbraw/zinc/48/76/66/1122487666.db2.gz LOXZZLNNPSKAKY-DJIMGWMZSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@@H](F)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515382959 1122496166 /nfs/dbraw/zinc/49/61/66/1122496166.db2.gz HZAYDUMLDZRNQS-WBVHZDCISA-N 2 1 290.426 3.521 20 0 CHADMP C[C@@H](F)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515382959 1122496168 /nfs/dbraw/zinc/49/61/68/1122496168.db2.gz HZAYDUMLDZRNQS-WBVHZDCISA-N 2 1 290.426 3.521 20 0 CHADMP C[N@@H+]1CCC[C@@H]1CC[NH+](Cc1ccc(Cl)cc1)C1CC1 ZINC001190392780 1122534730 /nfs/dbraw/zinc/53/47/30/1122534730.db2.gz SWGVZWWYUABKNW-MRXNPFEDSA-N 2 1 292.854 3.789 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1ccc(Cl)cc1)C1CC1 ZINC001190392780 1122534731 /nfs/dbraw/zinc/53/47/31/1122534731.db2.gz SWGVZWWYUABKNW-MRXNPFEDSA-N 2 1 292.854 3.789 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC001190392780 1122534735 /nfs/dbraw/zinc/53/47/35/1122534735.db2.gz SWGVZWWYUABKNW-MRXNPFEDSA-N 2 1 292.854 3.789 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC001190392780 1122534736 /nfs/dbraw/zinc/53/47/36/1122534736.db2.gz SWGVZWWYUABKNW-MRXNPFEDSA-N 2 1 292.854 3.789 20 0 CHADMP CC1(C)CC([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000436296949 1122535109 /nfs/dbraw/zinc/53/51/09/1122535109.db2.gz WBLBMNPLVCRHFQ-INIZCTEOSA-N 2 1 264.457 3.562 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)[C@H](C)CC)CC1 ZINC001190405894 1122535940 /nfs/dbraw/zinc/53/59/40/1122535940.db2.gz CQSNPHWMHWRDER-HZPDHXFCSA-N 2 1 268.489 3.865 20 0 CHADMP Cc1oc2ccccc2c1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000925009403 1122563263 /nfs/dbraw/zinc/56/32/63/1122563263.db2.gz HGOJCAPVDYQGDY-DZGCQCFKSA-N 2 1 286.419 3.734 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC3CCC2CC3)C[C@H]1C ZINC001191416546 1122598829 /nfs/dbraw/zinc/59/88/29/1122598829.db2.gz JUBSQXDQKHLOMB-UIJHXXCUSA-N 2 1 278.484 3.617 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC3CCC2CC3)C[C@H]1C ZINC001191416546 1122598834 /nfs/dbraw/zinc/59/88/34/1122598834.db2.gz JUBSQXDQKHLOMB-UIJHXXCUSA-N 2 1 278.484 3.617 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC3CCC2CC3)C[C@H]1C ZINC001191416546 1122598839 /nfs/dbraw/zinc/59/88/39/1122598839.db2.gz JUBSQXDQKHLOMB-UIJHXXCUSA-N 2 1 278.484 3.617 20 0 CHADMP Cc1ccc2cc([C@H](C)[NH2+]CCC[NH+]3CCCC3)oc2c1 ZINC000425915263 1122659729 /nfs/dbraw/zinc/65/97/29/1122659729.db2.gz IPFYPYZNSBEZIH-HNNXBMFYSA-N 2 1 286.419 3.878 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](CC)[C@@H]1CCCC[C@H]1C ZINC001193412575 1122690691 /nfs/dbraw/zinc/69/06/91/1122690691.db2.gz FOUQSSRCAPHSRU-HZPDHXFCSA-N 2 1 254.462 3.619 20 0 CHADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C1CC[NH+](C)CC1 ZINC000438833321 1122730661 /nfs/dbraw/zinc/73/06/61/1122730661.db2.gz XBAXALSYWUBMME-GOSISDBHSA-N 2 1 297.446 3.538 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)CC1 ZINC000295093181 1122742371 /nfs/dbraw/zinc/74/23/71/1122742371.db2.gz VASTYDZLLKOIDD-CTYIDZIISA-N 2 1 292.854 3.660 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205652259 1122747435 /nfs/dbraw/zinc/74/74/35/1122747435.db2.gz OTHFCDTXRYAABE-IUODEOHRSA-N 2 1 294.870 3.764 20 0 CHADMP CSc1cc(C)cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1 ZINC001205652488 1122749262 /nfs/dbraw/zinc/74/92/62/1122749262.db2.gz PRVMGHYWOPKPIB-ZBFHGGJFSA-N 2 1 292.492 3.524 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc3ccccc3[nH]2)C1 ZINC000775626768 1122829758 /nfs/dbraw/zinc/82/97/58/1122829758.db2.gz JNDOUINVPDDDOB-CVEARBPZSA-N 2 1 299.462 3.939 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cc2ccccc2[nH]1 ZINC000775633126 1122836992 /nfs/dbraw/zinc/83/69/92/1122836992.db2.gz KZEBXRGOSVIJDR-CQSZACIVSA-N 2 1 296.418 3.804 20 0 CHADMP CC(C)C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C(C)C ZINC001167967910 1122848415 /nfs/dbraw/zinc/84/84/15/1122848415.db2.gz KYYAUXSRCJFAIA-ALOPSCKCSA-N 2 1 278.484 3.662 20 0 CHADMP FC1(F)CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167967928 1122848424 /nfs/dbraw/zinc/84/84/24/1122848424.db2.gz LLSLWZCMCIEILI-HNSVSWJLSA-N 2 1 298.421 3.559 20 0 CHADMP CC1(C)CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167975271 1122877639 /nfs/dbraw/zinc/87/76/39/1122877639.db2.gz NIJXIARYMWDTGG-HQSKLWIPSA-N 2 1 290.495 3.950 20 0 CHADMP CC1(C)CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167978119 1122892577 /nfs/dbraw/zinc/89/25/77/1122892577.db2.gz JJJLXMINFIKEDI-OOKSDGMUSA-N 2 1 290.495 3.808 20 0 CHADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CCCC13CCC3)C2 ZINC001167981907 1122897324 /nfs/dbraw/zinc/89/73/24/1122897324.db2.gz OTCZFEGNTKVGGA-HQSKLWIPSA-N 2 1 288.479 3.704 20 0 CHADMP CCC[NH+](CCC)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981846 1122897545 /nfs/dbraw/zinc/89/75/45/1122897545.db2.gz MYNNKWCZPVNPTM-SJPCQFCGSA-N 2 1 264.457 3.514 20 0 CHADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCC3(CCC3)CC1)C2 ZINC001167983402 1122906359 /nfs/dbraw/zinc/90/63/59/1122906359.db2.gz HKVQRNKXWUYDNV-JWTNVVGKSA-N 2 1 288.479 3.658 20 0 CHADMP CCC1CCC([NH2+][C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001199709406 1123037451 /nfs/dbraw/zinc/03/74/51/1123037451.db2.gz YGHVUPHATFCDHY-JUVOFCAFSA-N 2 1 266.473 3.665 20 0 CHADMP CCC1CCC([NH2+][C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC001199709406 1123037454 /nfs/dbraw/zinc/03/74/54/1123037454.db2.gz YGHVUPHATFCDHY-JUVOFCAFSA-N 2 1 266.473 3.665 20 0 CHADMP CCCCC[C@@H]([NH2+]CCn1cc[nH+]c1C)C(C)(C)C ZINC000776024989 1123041761 /nfs/dbraw/zinc/04/17/61/1123041761.db2.gz KKCSNNZSSYKZRJ-OAHLLOKOSA-N 2 1 265.445 3.776 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205901691 1123059934 /nfs/dbraw/zinc/05/99/34/1123059934.db2.gz FDVBPJFTJWYEEN-KSLSASGISA-N 2 1 252.446 3.572 20 0 CHADMP CCC(C)(C)CC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441367223 1123082006 /nfs/dbraw/zinc/08/20/06/1123082006.db2.gz QEFLVKIFEMYYKI-HNNXBMFYSA-N 2 1 254.462 3.619 20 0 CHADMP CCC(C)(C)CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441367223 1123082011 /nfs/dbraw/zinc/08/20/11/1123082011.db2.gz QEFLVKIFEMYYKI-HNNXBMFYSA-N 2 1 254.462 3.619 20 0 CHADMP CCC(C)(C)CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441367223 1123082015 /nfs/dbraw/zinc/08/20/15/1123082015.db2.gz QEFLVKIFEMYYKI-HNNXBMFYSA-N 2 1 254.462 3.619 20 0 CHADMP C(CC1CCCC1)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441400340 1123085419 /nfs/dbraw/zinc/08/54/19/1123085419.db2.gz KURKZOMPEYRTPL-PKOBYXMFSA-N 2 1 290.495 3.906 20 0 CHADMP C(CC1CCCC1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441400340 1123085422 /nfs/dbraw/zinc/08/54/22/1123085422.db2.gz KURKZOMPEYRTPL-PKOBYXMFSA-N 2 1 290.495 3.906 20 0 CHADMP C(CC1CCCC1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441400340 1123085426 /nfs/dbraw/zinc/08/54/26/1123085426.db2.gz KURKZOMPEYRTPL-PKOBYXMFSA-N 2 1 290.495 3.906 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1CC1CCCCC1 ZINC001201400018 1123092270 /nfs/dbraw/zinc/09/22/70/1123092270.db2.gz MNIAIELDJINRSR-ZWKOTPCHSA-N 2 1 278.484 3.906 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC001201400018 1123092273 /nfs/dbraw/zinc/09/22/73/1123092273.db2.gz MNIAIELDJINRSR-ZWKOTPCHSA-N 2 1 278.484 3.906 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1CC1CCCCC1 ZINC001201400018 1123092276 /nfs/dbraw/zinc/09/22/76/1123092276.db2.gz MNIAIELDJINRSR-ZWKOTPCHSA-N 2 1 278.484 3.906 20 0 CHADMP CC(C)[N@@H+](CC1CC[NH+](C)CC1)[C@H](C)c1ccsc1 ZINC000894981093 1123097941 /nfs/dbraw/zinc/09/79/41/1123097941.db2.gz WNFZSCCOOFYMPM-CQSZACIVSA-N 2 1 280.481 3.861 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000049093252 1123099119 /nfs/dbraw/zinc/09/91/19/1123099119.db2.gz WJDBMKWSBGBUJH-IRXDYDNUSA-N 2 1 288.479 3.718 20 0 CHADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC(N1CCC[C@H]3CCC[C@H]31)C2 ZINC001167994827 1123103207 /nfs/dbraw/zinc/10/32/07/1123103207.db2.gz QNTRPFVAYLGBFZ-BSLJZLGVSA-N 2 1 288.479 3.656 20 0 CHADMP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCC[C@H]3CCC[C@H]31)C2 ZINC001167994827 1123103209 /nfs/dbraw/zinc/10/32/09/1123103209.db2.gz QNTRPFVAYLGBFZ-BSLJZLGVSA-N 2 1 288.479 3.656 20 0 CHADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCC[C@H]3CCC[C@H]31)C2 ZINC001167994827 1123103211 /nfs/dbraw/zinc/10/32/11/1123103211.db2.gz QNTRPFVAYLGBFZ-BSLJZLGVSA-N 2 1 288.479 3.656 20 0 CHADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@@H+]1CCC[C@H]3CCC[C@H]31)C2 ZINC001167994827 1123103213 /nfs/dbraw/zinc/10/32/13/1123103213.db2.gz QNTRPFVAYLGBFZ-BSLJZLGVSA-N 2 1 288.479 3.656 20 0 CHADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@H+]1CCC[C@H]3CCC[C@H]31)C2 ZINC001167994827 1123103216 /nfs/dbraw/zinc/10/32/16/1123103216.db2.gz QNTRPFVAYLGBFZ-BSLJZLGVSA-N 2 1 288.479 3.656 20 0 CHADMP C[N@H+](Cc1cccs1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995374 1123105105 /nfs/dbraw/zinc/10/51/05/1123105105.db2.gz CSVNYPGRXDVDPU-XYPWUTKMSA-N 2 1 290.476 3.585 20 0 CHADMP C[N@@H+](Cc1cccs1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995374 1123105108 /nfs/dbraw/zinc/10/51/08/1123105108.db2.gz CSVNYPGRXDVDPU-XYPWUTKMSA-N 2 1 290.476 3.585 20 0 CHADMP C[NH+](Cc1cccs1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995374 1123105110 /nfs/dbraw/zinc/10/51/10/1123105110.db2.gz CSVNYPGRXDVDPU-XYPWUTKMSA-N 2 1 290.476 3.585 20 0 CHADMP C[NH+](Cc1cccs1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995374 1123105112 /nfs/dbraw/zinc/10/51/12/1123105112.db2.gz CSVNYPGRXDVDPU-XYPWUTKMSA-N 2 1 290.476 3.585 20 0 CHADMP CC[NH+]1CCC([N@H+](C)C[C@H](C)CCC=C(C)C)CC1 ZINC001201489885 1123108654 /nfs/dbraw/zinc/10/86/54/1123108654.db2.gz HUMPAMNDSZVUFQ-MRXNPFEDSA-N 2 1 266.473 3.785 20 0 CHADMP CCC[C@H](C)C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001201550295 1123117902 /nfs/dbraw/zinc/11/79/02/1123117902.db2.gz IEXKBTYYXHEHEA-IRXDYDNUSA-N 2 1 266.473 3.763 20 0 CHADMP CC[C@H](C)C[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001201516336 1123120508 /nfs/dbraw/zinc/12/05/08/1123120508.db2.gz WWJNJCPLZORNIG-INIZCTEOSA-N 2 1 286.463 3.555 20 0 CHADMP CC[C@H](C)C[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001201516336 1123120513 /nfs/dbraw/zinc/12/05/13/1123120513.db2.gz WWJNJCPLZORNIG-INIZCTEOSA-N 2 1 286.463 3.555 20 0 CHADMP CC[C@@H](C)C[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001201516907 1123120767 /nfs/dbraw/zinc/12/07/67/1123120767.db2.gz GFKOJNFVPYGFLU-OAHLLOKOSA-N 2 1 292.442 3.768 20 0 CHADMP CC[C@@H](C)C[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001201516907 1123120770 /nfs/dbraw/zinc/12/07/70/1123120770.db2.gz GFKOJNFVPYGFLU-OAHLLOKOSA-N 2 1 292.442 3.768 20 0 CHADMP CCc1cc(N2CC[C@@H](C[N@H+](C)CC)C2)c2ccccc2[nH+]1 ZINC000125654408 1123123734 /nfs/dbraw/zinc/12/37/34/1123123734.db2.gz STHAOEIVOOCBNZ-HNNXBMFYSA-N 2 1 297.446 3.575 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1CCc1ccccc1 ZINC001201606116 1123130711 /nfs/dbraw/zinc/13/07/11/1123130711.db2.gz JRKHLSUWQWVKPR-RBUKOAKNSA-N 2 1 286.463 3.568 20 0 CHADMP CC(C)CC[NH+]1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001201626292 1123132485 /nfs/dbraw/zinc/13/24/85/1123132485.db2.gz DZGNVGMENKJFPH-UHFFFAOYSA-N 2 1 292.442 3.768 20 0 CHADMP CC(C)CC[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001201626292 1123132486 /nfs/dbraw/zinc/13/24/86/1123132486.db2.gz DZGNVGMENKJFPH-UHFFFAOYSA-N 2 1 292.442 3.768 20 0 CHADMP CCC(C)(C)CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441461596 1123134007 /nfs/dbraw/zinc/13/40/07/1123134007.db2.gz XEPUCKWHVOAGSZ-INIZCTEOSA-N 2 1 266.473 3.621 20 0 CHADMP CC[C@H](C)Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001168000871 1123150461 /nfs/dbraw/zinc/15/04/61/1123150461.db2.gz YWSVWRHZBDOWNE-ZFWWWQNUSA-N 2 1 286.423 3.561 20 0 CHADMP CCc1cccc(F)c1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC001202241317 1123193083 /nfs/dbraw/zinc/19/30/83/1123193083.db2.gz ADHQCWNGRREFHZ-UHFFFAOYSA-N 2 1 292.442 3.600 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251494462 1123223698 /nfs/dbraw/zinc/22/36/98/1123223698.db2.gz JLNDSUHXUDOHHK-AEZOWIDVSA-N 2 1 278.827 3.616 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)C1 ZINC000536496461 1123233503 /nfs/dbraw/zinc/23/35/03/1123233503.db2.gz GZRZJOZVFBDJPR-SUMWQHHRSA-N 2 1 292.854 3.649 20 0 CHADMP CCSc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)cc1 ZINC000665247916 1123258428 /nfs/dbraw/zinc/25/84/28/1123258428.db2.gz LRKSDYBIKWPJQN-CYBMUJFWSA-N 2 1 278.465 3.721 20 0 CHADMP CC(C)[C@H](C[NH2+]C1CCC(C(F)F)CC1)[NH+]1CCCC1 ZINC000442723852 1123335746 /nfs/dbraw/zinc/33/57/46/1123335746.db2.gz XWFKHYXKNQWOIF-NRXISQOPSA-N 2 1 288.426 3.520 20 0 CHADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(Cl)c1 ZINC000271829719 1129115643 /nfs/dbraw/zinc/11/56/43/1129115643.db2.gz DQLJYSCGXGLCHA-INIZCTEOSA-N 2 1 278.827 3.643 20 0 CHADMP C[C@H]([NH2+]C[C@]1(c2ccccc2)CC1(C)C)c1c[nH+]ccc1N ZINC000665299591 1123349347 /nfs/dbraw/zinc/34/93/47/1123349347.db2.gz PTBWQGDCECSTPV-LIRRHRJNSA-N 2 1 295.430 3.513 20 0 CHADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271906001 1129115789 /nfs/dbraw/zinc/11/57/89/1129115789.db2.gz WQISDNZRFXBWIK-CQSZACIVSA-N 2 1 284.403 3.654 20 0 CHADMP CCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccsc1 ZINC000443086646 1123354716 /nfs/dbraw/zinc/35/47/16/1123354716.db2.gz NJUWAAKHODYPFQ-QEJZJMRPSA-N 2 1 266.454 3.662 20 0 CHADMP CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccsc1 ZINC000443086646 1123354718 /nfs/dbraw/zinc/35/47/18/1123354718.db2.gz NJUWAAKHODYPFQ-QEJZJMRPSA-N 2 1 266.454 3.662 20 0 CHADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+][C@H]1CCC12CCCC2 ZINC000474065840 1123409446 /nfs/dbraw/zinc/40/94/46/1123409446.db2.gz ZSHUCJJLFLGQRA-HOTGVXAUSA-N 2 1 264.457 3.563 20 0 CHADMP C[N@@H+](CCCCCCC[NH3+])C[C@@H]1CCc2ccccc21 ZINC000852760137 1123414811 /nfs/dbraw/zinc/41/48/11/1123414811.db2.gz BBQGMIFVDKULDR-KRWDZBQOSA-N 2 1 274.452 3.557 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000443641867 1123456340 /nfs/dbraw/zinc/45/63/40/1123456340.db2.gz MRBLKZGEDCDJHB-QXAKKESOSA-N 2 1 290.495 3.643 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000443641867 1123456343 /nfs/dbraw/zinc/45/63/43/1123456343.db2.gz MRBLKZGEDCDJHB-QXAKKESOSA-N 2 1 290.495 3.643 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000443641867 1123456347 /nfs/dbraw/zinc/45/63/47/1123456347.db2.gz MRBLKZGEDCDJHB-QXAKKESOSA-N 2 1 290.495 3.643 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2CC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000395165136 1123461473 /nfs/dbraw/zinc/46/14/73/1123461473.db2.gz CBDPUBIVESXKFA-NVXWUHKLSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2CC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000395165136 1123461475 /nfs/dbraw/zinc/46/14/75/1123461475.db2.gz CBDPUBIVESXKFA-NVXWUHKLSA-N 2 1 286.463 3.818 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2C(C)=CCC[C@@H]2C)C[C@H]1C ZINC000443662081 1123464601 /nfs/dbraw/zinc/46/46/01/1123464601.db2.gz UMVRWRKEKCFAIT-XWTMOSNGSA-N 2 1 278.484 3.783 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2C(C)=CCC[C@@H]2C)C[C@H]1C ZINC000443662081 1123464603 /nfs/dbraw/zinc/46/46/03/1123464603.db2.gz UMVRWRKEKCFAIT-XWTMOSNGSA-N 2 1 278.484 3.783 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2C(C)=CCC[C@@H]2C)C[C@H]1C ZINC000443662081 1123464606 /nfs/dbraw/zinc/46/46/06/1123464606.db2.gz UMVRWRKEKCFAIT-XWTMOSNGSA-N 2 1 278.484 3.783 20 0 CHADMP CC1(C)CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000395207037 1123503252 /nfs/dbraw/zinc/50/32/52/1123503252.db2.gz KBNLRJNCBXCSKY-JLYLLQBASA-N 2 1 298.474 3.960 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H](C)c2ccc(Cl)cc2)C1 ZINC000474485167 1123538654 /nfs/dbraw/zinc/53/86/54/1123538654.db2.gz CYKDXZGFMZIHQW-SOUVJXGZSA-N 2 1 294.870 3.763 20 0 CHADMP CCCc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000429533506 1123561190 /nfs/dbraw/zinc/56/11/90/1123561190.db2.gz WXEHTPUCTCFCCQ-SFHVURJKSA-N 2 1 274.452 3.555 20 0 CHADMP C[C@@H]1CC[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168042282 1123594545 /nfs/dbraw/zinc/59/45/45/1123594545.db2.gz YSJPKNMLOFXEDC-BRWVUGGUSA-N 2 1 286.463 3.770 20 0 CHADMP C[C@@H]1CC[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168042282 1123594549 /nfs/dbraw/zinc/59/45/49/1123594549.db2.gz YSJPKNMLOFXEDC-BRWVUGGUSA-N 2 1 286.463 3.770 20 0 CHADMP CCC1([NH+](C)C)CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000639378169 1123604718 /nfs/dbraw/zinc/60/47/18/1123604718.db2.gz DNTCFGVJNGOGFR-UHFFFAOYSA-N 2 1 297.446 3.541 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CCCCCCc2ccccc2)CC[N@H+]1C ZINC000858460716 1123656208 /nfs/dbraw/zinc/65/62/08/1123656208.db2.gz CVMPCGMHRUMHBF-HKUYNNGSSA-N 2 1 288.479 3.862 20 0 CHADMP CC[C@H](CC(F)F)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212628 1123690454 /nfs/dbraw/zinc/69/04/54/1123690454.db2.gz LZFKNCBDCQJVTI-CQSZACIVSA-N 2 1 298.421 3.861 20 0 CHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4)s3)C[C@H]12 ZINC000346850687 1123725498 /nfs/dbraw/zinc/72/54/98/1123725498.db2.gz VCOUTJQGFWKSAF-BHYGNILZSA-N 2 1 298.455 3.584 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)s2)CC[C@H]1[NH3+] ZINC000347008747 1123741556 /nfs/dbraw/zinc/74/15/56/1123741556.db2.gz SDUFJWBBAFBPTN-CZUORRHYSA-N 2 1 286.444 3.584 20 0 CHADMP CC[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000086903864 1123800204 /nfs/dbraw/zinc/80/02/04/1123800204.db2.gz YHQUQCBUYMUTLC-HUUCEWRRSA-N 2 1 264.457 3.562 20 0 CHADMP CC1CC[NH+](CCC[NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000043388554 1123804005 /nfs/dbraw/zinc/80/40/05/1123804005.db2.gz QLJFVTWUGKWFNM-UHFFFAOYSA-N 2 1 298.833 3.691 20 0 CHADMP CCCCCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000119041709 1123827030 /nfs/dbraw/zinc/82/70/30/1123827030.db2.gz HHHOJFIWEIGBFJ-INIZCTEOSA-N 2 1 252.446 3.517 20 0 CHADMP C[C@H]1CCC[N@H+]1Cc1cccc(-c2ccc3c(c2)C[NH2+]C3)c1 ZINC000863690679 1123890741 /nfs/dbraw/zinc/89/07/41/1123890741.db2.gz VADHFNMNJBOEHR-HNNXBMFYSA-N 2 1 292.426 3.941 20 0 CHADMP C[C@H]1CCCC[N@@H+]1CCCCNc1cc[nH+]cc1Cl ZINC000301556295 1123911703 /nfs/dbraw/zinc/91/17/03/1123911703.db2.gz ZVAQYFWZZFWCGP-ZDUSSCGKSA-N 2 1 281.831 3.802 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCCNc1cc[nH+]cc1Cl ZINC000301556295 1123911706 /nfs/dbraw/zinc/91/17/06/1123911706.db2.gz ZVAQYFWZZFWCGP-ZDUSSCGKSA-N 2 1 281.831 3.802 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@H]13)CCC2 ZINC000339065602 1123914524 /nfs/dbraw/zinc/91/45/24/1123914524.db2.gz BFNFQNQHFRGXOG-GUDVDZBRSA-N 2 1 284.447 3.589 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@H]13)CCC2 ZINC000339065602 1123914527 /nfs/dbraw/zinc/91/45/27/1123914527.db2.gz BFNFQNQHFRGXOG-GUDVDZBRSA-N 2 1 284.447 3.589 20 0 CHADMP CC(C)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000159023157 1129157054 /nfs/dbraw/zinc/15/70/54/1129157054.db2.gz NHDJADDNZQZQPT-RYRKJORJSA-N 2 1 274.452 3.531 20 0 CHADMP CC(C)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000159023157 1129157057 /nfs/dbraw/zinc/15/70/57/1129157057.db2.gz NHDJADDNZQZQPT-RYRKJORJSA-N 2 1 274.452 3.531 20 0 CHADMP CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)c1ccccn1 ZINC000159015304 1129157250 /nfs/dbraw/zinc/15/72/50/1129157250.db2.gz IKRRGAVOXHJJRS-SJORKVTESA-N 2 1 289.467 3.633 20 0 CHADMP CCC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1ccccn1 ZINC000159015304 1129157252 /nfs/dbraw/zinc/15/72/52/1129157252.db2.gz IKRRGAVOXHJJRS-SJORKVTESA-N 2 1 289.467 3.633 20 0 CHADMP C[N@@H+]1CC[C@H](Nc2cc[nH+]cc2Cl)[C@@H]1c1ccccc1 ZINC000302834239 1123985358 /nfs/dbraw/zinc/98/53/58/1123985358.db2.gz SXTDCHVUZIYNEG-HOTGVXAUSA-N 2 1 287.794 3.592 20 0 CHADMP C[N@H+]1CC[C@H](Nc2cc[nH+]cc2Cl)[C@@H]1c1ccccc1 ZINC000302834239 1123985365 /nfs/dbraw/zinc/98/53/65/1123985365.db2.gz SXTDCHVUZIYNEG-HOTGVXAUSA-N 2 1 287.794 3.592 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]C2CCC(OC(C)(C)C)CC2)CC1(C)C ZINC000865698124 1124006041 /nfs/dbraw/zinc/00/60/41/1124006041.db2.gz ISYUOACFELGFNS-HWOWSKLDSA-N 2 1 296.499 3.575 20 0 CHADMP Cc1cc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c(C)s1 ZINC000623347606 1124080461 /nfs/dbraw/zinc/08/04/61/1124080461.db2.gz FSWGCUWDIFEFGQ-OCCSQVGLSA-N 2 1 280.481 3.888 20 0 CHADMP C[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3)s2)CC1 ZINC000034996649 1124111433 /nfs/dbraw/zinc/11/14/33/1124111433.db2.gz CKRYTAQFTWOECP-UHFFFAOYSA-N 2 1 286.444 3.599 20 0 CHADMP CC(C)[C@@H](C[NH2+]C1CCCCC1)[NH+]1CCC(C)CC1 ZINC000525180929 1124117133 /nfs/dbraw/zinc/11/71/33/1124117133.db2.gz KVJRXTQQSCASHH-QGZVFWFLSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000447067845 1124132466 /nfs/dbraw/zinc/13/24/66/1124132466.db2.gz MFTCBDZQRSQBOW-INIZCTEOSA-N 2 1 286.419 3.590 20 0 CHADMP [NH3+]CCC[N@@H+]1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000414735267 1129178481 /nfs/dbraw/zinc/17/84/81/1129178481.db2.gz GRWLGFUXHUYVQH-AWEZNQCLSA-N 2 1 286.341 3.581 20 0 CHADMP [NH3+]CCC[N@H+]1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000414735267 1129178484 /nfs/dbraw/zinc/17/84/84/1129178484.db2.gz GRWLGFUXHUYVQH-AWEZNQCLSA-N 2 1 286.341 3.581 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@H](C(C)C)c3ccccc32)CC1 ZINC000447521198 1124480222 /nfs/dbraw/zinc/48/02/22/1124480222.db2.gz VPSNXKOZRILUNH-OALUTQOASA-N 2 1 286.463 3.945 20 0 CHADMP Cc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1Cl ZINC000447797138 1124525557 /nfs/dbraw/zinc/52/55/57/1124525557.db2.gz GIMMZPVOXVPEMW-UHFFFAOYSA-N 2 1 294.870 3.953 20 0 CHADMP Cc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1Cl ZINC000447797138 1124525563 /nfs/dbraw/zinc/52/55/63/1124525563.db2.gz GIMMZPVOXVPEMW-UHFFFAOYSA-N 2 1 294.870 3.953 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+]CC[C@H](C)c2ccccc2)C1 ZINC000447820968 1124526507 /nfs/dbraw/zinc/52/65/07/1124526507.db2.gz IUUAGFILIKDIEB-DLBZAZTESA-N 2 1 274.452 3.502 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+]CC[C@H](C)c2ccccc2)C1 ZINC000447820970 1124526964 /nfs/dbraw/zinc/52/69/64/1124526964.db2.gz IUUAGFILIKDIEB-IRXDYDNUSA-N 2 1 274.452 3.502 20 0 CHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc3ccoc32)CC1 ZINC000449085714 1124643743 /nfs/dbraw/zinc/64/37/43/1124643743.db2.gz AHRUMBUJHIWDML-UHFFFAOYSA-N 2 1 286.419 3.785 20 0 CHADMP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000449083014 1124646801 /nfs/dbraw/zinc/64/68/01/1124646801.db2.gz RREOHVGDDBOFFD-FHLIZLRMSA-N 2 1 298.430 3.580 20 0 CHADMP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000449083014 1124646803 /nfs/dbraw/zinc/64/68/03/1124646803.db2.gz RREOHVGDDBOFFD-FHLIZLRMSA-N 2 1 298.430 3.580 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CC(C)(C)C)C1 ZINC000449129829 1124653314 /nfs/dbraw/zinc/65/33/14/1124653314.db2.gz DRVBQLVPOUGJNB-CABCVRRESA-N 2 1 254.462 3.521 20 0 CHADMP CC[C@H](CCC(F)(F)F)[NH2+]C[C@@H](CC)[NH+]1CCCC1 ZINC000872020834 1124658428 /nfs/dbraw/zinc/65/84/28/1124658428.db2.gz KUNWKCFIBFSODA-CHWSQXEVSA-N 2 1 280.378 3.572 20 0 CHADMP CCCn1ccnc1CCC[N@@H+](C)CC1CC(C)(C)C1 ZINC000528476901 1124675624 /nfs/dbraw/zinc/67/56/24/1124675624.db2.gz OWQPWPMUBVCADB-UHFFFAOYSA-N 2 1 277.456 3.594 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC1CC(C)(C)C1 ZINC000528476901 1124675626 /nfs/dbraw/zinc/67/56/26/1124675626.db2.gz OWQPWPMUBVCADB-UHFFFAOYSA-N 2 1 277.456 3.594 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC1CC(C)(C)C1 ZINC000528476901 1124675629 /nfs/dbraw/zinc/67/56/29/1124675629.db2.gz OWQPWPMUBVCADB-UHFFFAOYSA-N 2 1 277.456 3.594 20 0 CHADMP C[C@H](Cc1ccoc1)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000449302797 1124687258 /nfs/dbraw/zinc/68/72/58/1124687258.db2.gz WEGORMSDMBWEFD-CRAIPNDOSA-N 2 1 290.451 3.597 20 0 CHADMP Cc1nc2ccc(C[N@@H+](C)CCCCCC[NH3+])cc2s1 ZINC000873231370 1124752207 /nfs/dbraw/zinc/75/22/07/1124752207.db2.gz HIJLNJYBMKXJGG-UHFFFAOYSA-N 2 1 291.464 3.556 20 0 CHADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cscc2Cl)C1 ZINC000873223779 1124752788 /nfs/dbraw/zinc/75/27/88/1124752788.db2.gz SCFBFZKAIPOQPG-CQSZACIVSA-N 2 1 286.872 3.598 20 0 CHADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cscc2Cl)C1 ZINC000873223779 1124752791 /nfs/dbraw/zinc/75/27/91/1124752791.db2.gz SCFBFZKAIPOQPG-CQSZACIVSA-N 2 1 286.872 3.598 20 0 CHADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000449783605 1124870905 /nfs/dbraw/zinc/87/09/05/1124870905.db2.gz QIULHRYVTUTKLH-OLZOCXBDSA-N 2 1 292.389 3.572 20 0 CHADMP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000449783605 1124870910 /nfs/dbraw/zinc/87/09/10/1124870910.db2.gz QIULHRYVTUTKLH-OLZOCXBDSA-N 2 1 292.389 3.572 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H](C)CC(C)(C)C)[C@H](C)C1 ZINC000443197573 1124907161 /nfs/dbraw/zinc/90/71/61/1124907161.db2.gz XOPPEOOXWFLTJX-XHSDSOJGSA-N 2 1 268.489 3.769 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(C)(C)F)cc1 ZINC000631657668 1124979579 /nfs/dbraw/zinc/97/95/79/1124979579.db2.gz GANCFJOHHJYHDB-LBPRGKRZSA-N 2 1 275.371 3.579 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CC/C=C/c2ccccc2)C[C@H]1C ZINC000450472013 1125038210 /nfs/dbraw/zinc/03/82/10/1125038210.db2.gz WYSMHOPNBHNFBO-JWIPOZPYSA-N 2 1 286.463 3.895 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CC/C=C/c2ccccc2)C[C@H]1C ZINC000450472013 1125038219 /nfs/dbraw/zinc/03/82/19/1125038219.db2.gz WYSMHOPNBHNFBO-JWIPOZPYSA-N 2 1 286.463 3.895 20 0 CHADMP C[C@@H]1C[C@H]([N@@H+](C)CC/C=C/c2ccccc2)CCN1C ZINC000450472054 1125038323 /nfs/dbraw/zinc/03/83/23/1125038323.db2.gz XCTSPDBIABOVCQ-RUZKMCDWSA-N 2 1 272.436 3.504 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)CC/C=C/c2ccccc2)CC[N@@H+]1C ZINC000450472054 1125038327 /nfs/dbraw/zinc/03/83/27/1125038327.db2.gz XCTSPDBIABOVCQ-RUZKMCDWSA-N 2 1 272.436 3.504 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)CC/C=C/c2ccccc2)CC[N@H+]1C ZINC000450472054 1125038333 /nfs/dbraw/zinc/03/83/33/1125038333.db2.gz XCTSPDBIABOVCQ-RUZKMCDWSA-N 2 1 272.436 3.504 20 0 CHADMP C[C@@H]1C[C@H]([N@H+](C)CC/C=C/c2ccccc2)CC[NH+]1C ZINC000450472054 1125038338 /nfs/dbraw/zinc/03/83/38/1125038338.db2.gz XCTSPDBIABOVCQ-RUZKMCDWSA-N 2 1 272.436 3.504 20 0 CHADMP C[C@@H]1C[C@H]([N@@H+](C)CC/C=C/c2ccccc2)CC[NH+]1C ZINC000450472054 1125038345 /nfs/dbraw/zinc/03/83/45/1125038345.db2.gz XCTSPDBIABOVCQ-RUZKMCDWSA-N 2 1 272.436 3.504 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)CC/C=C/c2ccccc2)CCN1C ZINC000450472050 1125039506 /nfs/dbraw/zinc/03/95/06/1125039506.db2.gz XCTSPDBIABOVCQ-DDIQYJBLSA-N 2 1 272.436 3.504 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)CC/C=C/c2ccccc2)CC[N@@H+]1C ZINC000450472050 1125039511 /nfs/dbraw/zinc/03/95/11/1125039511.db2.gz XCTSPDBIABOVCQ-DDIQYJBLSA-N 2 1 272.436 3.504 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)CC/C=C/c2ccccc2)CC[N@H+]1C ZINC000450472050 1125039518 /nfs/dbraw/zinc/03/95/18/1125039518.db2.gz XCTSPDBIABOVCQ-DDIQYJBLSA-N 2 1 272.436 3.504 20 0 CHADMP C[C@@H]1C[C@@H]([N@H+](C)CC/C=C/c2ccccc2)CC[NH+]1C ZINC000450472050 1125039525 /nfs/dbraw/zinc/03/95/25/1125039525.db2.gz XCTSPDBIABOVCQ-DDIQYJBLSA-N 2 1 272.436 3.504 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)CC/C=C/c2ccccc2)CC[NH+]1C ZINC000450472050 1125039533 /nfs/dbraw/zinc/03/95/33/1125039533.db2.gz XCTSPDBIABOVCQ-DDIQYJBLSA-N 2 1 272.436 3.504 20 0 CHADMP C([N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C12CCC(CC1)C2 ZINC000450596247 1125066559 /nfs/dbraw/zinc/06/65/59/1125066559.db2.gz FUFDDXQRUOGKNE-TXLGJMDYSA-N 2 1 288.479 3.515 20 0 CHADMP C([N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C12CCC(CC1)C2 ZINC000450596247 1125066567 /nfs/dbraw/zinc/06/65/67/1125066567.db2.gz FUFDDXQRUOGKNE-TXLGJMDYSA-N 2 1 288.479 3.515 20 0 CHADMP C([NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C12CCC(CC1)C2 ZINC000450596247 1125066574 /nfs/dbraw/zinc/06/65/74/1125066574.db2.gz FUFDDXQRUOGKNE-TXLGJMDYSA-N 2 1 288.479 3.515 20 0 CHADMP C([NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C12CCC(CC1)C2 ZINC000450596247 1125066583 /nfs/dbraw/zinc/06/65/83/1125066583.db2.gz FUFDDXQRUOGKNE-TXLGJMDYSA-N 2 1 288.479 3.515 20 0 CHADMP CCCC[C@@H](CC(C)C)[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001246112156 1131331189 /nfs/dbraw/zinc/33/11/89/1131331189.db2.gz LGXHCOXAYAXYND-HOTGVXAUSA-N 2 1 272.452 3.663 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C[C@H](c2ccccc2)C1 ZINC000392240383 1125141036 /nfs/dbraw/zinc/14/10/36/1125141036.db2.gz JTAOYIHGDJWOST-PWIZWCRZSA-N 2 1 298.474 3.810 20 0 CHADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cc(Cl)cc(Cl)c1 ZINC000530513233 1125161307 /nfs/dbraw/zinc/16/13/07/1125161307.db2.gz UMCLOKHBAURKFF-SNVBAGLBSA-N 2 1 298.217 3.620 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)c2ccccc2)C[C@H]1C ZINC000530901782 1125185390 /nfs/dbraw/zinc/18/53/90/1125185390.db2.gz AVKKAGXXFUWLED-JZXOWHBKSA-N 2 1 274.452 3.595 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)c2ccccc2)C[C@H]1C ZINC000530901782 1125185395 /nfs/dbraw/zinc/18/53/95/1125185395.db2.gz AVKKAGXXFUWLED-JZXOWHBKSA-N 2 1 274.452 3.595 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)c2ccccc2)C[C@H]1C ZINC000530901782 1125185399 /nfs/dbraw/zinc/18/53/99/1125185399.db2.gz AVKKAGXXFUWLED-JZXOWHBKSA-N 2 1 274.452 3.595 20 0 CHADMP C[C@H](F)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000375667758 1125195647 /nfs/dbraw/zinc/19/56/47/1125195647.db2.gz YSHDHTIGMKPDHS-RDJZCZTQSA-N 2 1 292.442 3.625 20 0 CHADMP C[C@H](F)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000375667758 1125195650 /nfs/dbraw/zinc/19/56/50/1125195650.db2.gz YSHDHTIGMKPDHS-RDJZCZTQSA-N 2 1 292.442 3.625 20 0 CHADMP CC[C@H](C)[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000532192996 1125237800 /nfs/dbraw/zinc/23/78/00/1125237800.db2.gz CAYZPBVTFVSAGG-HRCADAONSA-N 2 1 254.462 3.665 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CCCC2CCCCC2)[C@H](C)C1 ZINC000532195403 1125239480 /nfs/dbraw/zinc/23/94/80/1125239480.db2.gz IFQXFGYEMVHDMR-WBVHZDCISA-N 2 1 266.473 3.667 20 0 CHADMP CCCC[N@@H+](C)CCC[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC001168152488 1125273445 /nfs/dbraw/zinc/27/34/45/1125273445.db2.gz VOGGXGXMCGCETB-HNNXBMFYSA-N 2 1 296.886 3.983 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639930020 1125339727 /nfs/dbraw/zinc/33/97/27/1125339727.db2.gz RWKCVCNHTDIXAO-MRXNPFEDSA-N 2 1 287.407 3.648 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639930020 1125339730 /nfs/dbraw/zinc/33/97/30/1125339730.db2.gz RWKCVCNHTDIXAO-MRXNPFEDSA-N 2 1 287.407 3.648 20 0 CHADMP CCCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130242454 1125358328 /nfs/dbraw/zinc/35/83/28/1125358328.db2.gz BEJAXUIURSNJSB-ARFHVFGLSA-N 2 1 252.446 3.562 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCCC1 ZINC000250902670 1125361603 /nfs/dbraw/zinc/36/16/03/1125361603.db2.gz OUMMPHCMRKBIQX-XIRDDKMYSA-N 2 1 264.457 3.562 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2OC(C)C)CC1 ZINC000037118796 1125365143 /nfs/dbraw/zinc/36/51/43/1125365143.db2.gz QLMCGKUJPNUUKX-HNNXBMFYSA-N 2 1 290.451 3.609 20 0 CHADMP CCSc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883236354 1125382184 /nfs/dbraw/zinc/38/21/84/1125382184.db2.gz ZQCOVWOABLSBPS-JKSUJKDBSA-N 2 1 290.476 3.515 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc3ccccc3c2)C1 ZINC000040620656 1125388867 /nfs/dbraw/zinc/38/88/67/1125388867.db2.gz JYXHLAAWYQRIHG-QGZVFWFLSA-N 2 1 282.431 3.660 20 0 CHADMP Cc1nccn1CCC[N@@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000124907802 1125443170 /nfs/dbraw/zinc/44/31/70/1125443170.db2.gz FLDASUCPZRKWKQ-INIZCTEOSA-N 2 1 297.446 3.882 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000124907802 1125443174 /nfs/dbraw/zinc/44/31/74/1125443174.db2.gz FLDASUCPZRKWKQ-INIZCTEOSA-N 2 1 297.446 3.882 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000124907802 1125443177 /nfs/dbraw/zinc/44/31/77/1125443177.db2.gz FLDASUCPZRKWKQ-INIZCTEOSA-N 2 1 297.446 3.882 20 0 CHADMP CCCCCC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164125 1129199591 /nfs/dbraw/zinc/19/95/91/1129199591.db2.gz KRRIDPYFDRGVAW-XYTVBORESA-N 2 1 266.473 3.950 20 0 CHADMP CCCCCC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164125 1129199594 /nfs/dbraw/zinc/19/95/94/1129199594.db2.gz KRRIDPYFDRGVAW-XYTVBORESA-N 2 1 266.473 3.950 20 0 CHADMP CC[N@H+](CCCCn1cc[nH+]c1C)Cc1cccc(F)c1 ZINC000163669282 1129203941 /nfs/dbraw/zinc/20/39/41/1129203941.db2.gz PDWPRTDVPUYTHY-UHFFFAOYSA-N 2 1 289.398 3.633 20 0 CHADMP CC[N@@H+](CCCCn1cc[nH+]c1C)Cc1cccc(F)c1 ZINC000163669282 1129203943 /nfs/dbraw/zinc/20/39/43/1129203943.db2.gz PDWPRTDVPUYTHY-UHFFFAOYSA-N 2 1 289.398 3.633 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc(C)cc2)[C@H](C)C1 ZINC000164842680 1129210684 /nfs/dbraw/zinc/21/06/84/1129210684.db2.gz YCAUYRBPZIFDDK-AEFFLSMTSA-N 2 1 288.479 3.593 20 0 CHADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc(C)c1F ZINC000166406800 1129224110 /nfs/dbraw/zinc/22/41/10/1129224110.db2.gz VNILHATXDHFHCC-IJEWVQPXSA-N 2 1 278.415 3.576 20 0 CHADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(C)c1F ZINC000166406800 1129224114 /nfs/dbraw/zinc/22/41/14/1129224114.db2.gz VNILHATXDHFHCC-IJEWVQPXSA-N 2 1 278.415 3.576 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3ncccc23)C[C@@H]1C ZINC000638111123 1129243367 /nfs/dbraw/zinc/24/33/67/1129243367.db2.gz RIYXVLOEGZHUDD-DOTOQJQBSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3ncccc23)C[C@@H]1C ZINC000638111123 1129243371 /nfs/dbraw/zinc/24/33/71/1129243371.db2.gz RIYXVLOEGZHUDD-DOTOQJQBSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3ncccc23)C[C@@H]1C ZINC000638111123 1129243373 /nfs/dbraw/zinc/24/33/73/1129243373.db2.gz RIYXVLOEGZHUDD-DOTOQJQBSA-N 2 1 297.446 3.539 20 0 CHADMP CC1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638722781 1129267408 /nfs/dbraw/zinc/26/74/08/1129267408.db2.gz VDHSHKLGOPUTDL-AEFFLSMTSA-N 2 1 284.447 3.744 20 0 CHADMP CC1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638722781 1129267411 /nfs/dbraw/zinc/26/74/11/1129267411.db2.gz VDHSHKLGOPUTDL-AEFFLSMTSA-N 2 1 284.447 3.744 20 0 CHADMP c1ccc([C@H]2C[C@@H]([NH2+]CCC3CC3)CC[N@@H+]2C2CC2)cc1 ZINC000638715931 1129267475 /nfs/dbraw/zinc/26/74/75/1129267475.db2.gz YECLAAUMDGTSFJ-PKOBYXMFSA-N 2 1 284.447 3.744 20 0 CHADMP c1ccc([C@H]2C[C@@H]([NH2+]CCC3CC3)CC[N@H+]2C2CC2)cc1 ZINC000638715931 1129267477 /nfs/dbraw/zinc/26/74/77/1129267477.db2.gz YECLAAUMDGTSFJ-PKOBYXMFSA-N 2 1 284.447 3.744 20 0 CHADMP Cc1ccc([C@@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000348080619 1129277980 /nfs/dbraw/zinc/27/79/80/1129277980.db2.gz RDJPVFRRVDLTQH-MSOLQXFVSA-N 2 1 272.436 3.616 20 0 CHADMP Cc1cc[nH+]c2cc(NCC(C)(C)C[NH+](C)C)ccc12 ZINC001168768723 1129285486 /nfs/dbraw/zinc/28/54/86/1129285486.db2.gz GXGWRQHQEPLOJB-UHFFFAOYSA-N 2 1 271.408 3.543 20 0 CHADMP CC[N@@H+](CCC[NH2+][C@@H](C)[C@H]1CC1(F)F)C1CCCCC1 ZINC000639289573 1129300136 /nfs/dbraw/zinc/30/01/36/1129300136.db2.gz BVKBSIDELQSUTG-DZGCQCFKSA-N 2 1 288.426 3.664 20 0 CHADMP C1=CCC(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639347155 1129304826 /nfs/dbraw/zinc/30/48/26/1129304826.db2.gz YLDOWJATWZDDRD-ICSRJNTNSA-N 2 1 296.458 3.910 20 0 CHADMP C1=CCC(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639347155 1129304829 /nfs/dbraw/zinc/30/48/29/1129304829.db2.gz YLDOWJATWZDDRD-ICSRJNTNSA-N 2 1 296.458 3.910 20 0 CHADMP CCC1([NH+](C)C)CC[NH+](Cc2nccc3ccccc32)CC1 ZINC000639378565 1129308777 /nfs/dbraw/zinc/30/87/77/1129308777.db2.gz IOMBQOJNGFYCCE-UHFFFAOYSA-N 2 1 297.446 3.541 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756239 1129332185 /nfs/dbraw/zinc/33/21/85/1129332185.db2.gz SIEZDGZVRYTDGO-CQSZACIVSA-N 2 1 292.854 3.819 20 0 CHADMP C[C@@H](CC1CC1)[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001258473633 1129410281 /nfs/dbraw/zinc/41/02/81/1129410281.db2.gz PFSQJSRWRIZTKT-XIRDDKMYSA-N 2 1 264.457 3.514 20 0 CHADMP C[C@@H](CC1CC1)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001258473633 1129410284 /nfs/dbraw/zinc/41/02/84/1129410284.db2.gz PFSQJSRWRIZTKT-XIRDDKMYSA-N 2 1 264.457 3.514 20 0 CHADMP CC[NH2+]CCC[NH2+][C@@H](C)c1oc2ccccc2c1CC ZINC000643499071 1129443018 /nfs/dbraw/zinc/44/30/18/1129443018.db2.gz QMHHQXRRIFPKQZ-ZDUSSCGKSA-N 2 1 274.408 3.645 20 0 CHADMP Clc1cc2c(c(Cl)c1)[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)CC2 ZINC000643522204 1129443613 /nfs/dbraw/zinc/44/36/13/1129443613.db2.gz JNUIUZIVRGBFII-JSGCOSHPSA-N 2 1 299.245 3.712 20 0 CHADMP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCCC2)[C@H]1c1cccs1 ZINC000742373147 1129475446 /nfs/dbraw/zinc/47/54/46/1129475446.db2.gz PXHZDSMKCDAIIM-BBRMVZONSA-N 2 1 278.465 3.663 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCCC2)[C@H]1c1cccs1 ZINC000742373147 1129475448 /nfs/dbraw/zinc/47/54/48/1129475448.db2.gz PXHZDSMKCDAIIM-BBRMVZONSA-N 2 1 278.465 3.663 20 0 CHADMP CC[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C1CCCCC1 ZINC000796282288 1129512893 /nfs/dbraw/zinc/51/28/93/1129512893.db2.gz CXXXXIKWDKQYSJ-OAHLLOKOSA-N 2 1 295.496 3.653 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000646117956 1129524157 /nfs/dbraw/zinc/52/41/57/1129524157.db2.gz BUEOROLNWVHFFY-RTBURBONSA-N 2 1 296.458 3.864 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000646117956 1129524160 /nfs/dbraw/zinc/52/41/60/1129524160.db2.gz BUEOROLNWVHFFY-RTBURBONSA-N 2 1 296.458 3.864 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000646117956 1129524162 /nfs/dbraw/zinc/52/41/62/1129524162.db2.gz BUEOROLNWVHFFY-RTBURBONSA-N 2 1 296.458 3.864 20 0 CHADMP CCC(CC)[C@H](C[NH2+]C1CCC(F)(F)CC1)[NH+](C)C ZINC000647171057 1129553456 /nfs/dbraw/zinc/55/34/56/1129553456.db2.gz ZHCDKRLCEUUNHM-AWEZNQCLSA-N 2 1 276.415 3.520 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000647168353 1129553581 /nfs/dbraw/zinc/55/35/81/1129553581.db2.gz RZBMJQCOAPJXQX-QAPCUYQASA-N 2 1 284.447 3.572 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000647168353 1129553585 /nfs/dbraw/zinc/55/35/85/1129553585.db2.gz RZBMJQCOAPJXQX-QAPCUYQASA-N 2 1 284.447 3.572 20 0 CHADMP C[C@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000647248586 1129560371 /nfs/dbraw/zinc/56/03/71/1129560371.db2.gz KKVBBYHDRSQSCH-NQYYFHDYSA-N 2 1 286.463 3.500 20 0 CHADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000647498937 1129580261 /nfs/dbraw/zinc/58/02/61/1129580261.db2.gz UINCCRUZXXXDIM-CJNGLKHVSA-N 2 1 286.419 3.554 20 0 CHADMP Clc1sccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543901 1129580648 /nfs/dbraw/zinc/58/06/48/1129580648.db2.gz UGKAQBPUNSYOGZ-CHWSQXEVSA-N 2 1 298.883 3.613 20 0 CHADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647544549 1129580953 /nfs/dbraw/zinc/58/09/53/1129580953.db2.gz RPNZQCWIAJJQBD-ZRNYENFQSA-N 2 1 298.474 3.502 20 0 CHADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)c1cc2ccccc2o1 ZINC000647882242 1129587302 /nfs/dbraw/zinc/58/73/02/1129587302.db2.gz ZVFNFTKSJZXHIE-GJZGRUSLSA-N 2 1 286.419 3.815 20 0 CHADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976874 1129591220 /nfs/dbraw/zinc/59/12/20/1129591220.db2.gz VOEXIEGPYRTSFP-OIISXLGYSA-N 2 1 290.426 3.598 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C3CCCC3)C2)s1 ZINC000649603509 1129662503 /nfs/dbraw/zinc/66/25/03/1129662503.db2.gz QJDXGRCFKNFJCC-HNNXBMFYSA-N 2 1 292.492 3.753 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C3CCCC3)C2)s1 ZINC000649603509 1129662506 /nfs/dbraw/zinc/66/25/06/1129662506.db2.gz QJDXGRCFKNFJCC-HNNXBMFYSA-N 2 1 292.492 3.753 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C3CCCC3)C2)s1 ZINC000649603509 1129662509 /nfs/dbraw/zinc/66/25/09/1129662509.db2.gz QJDXGRCFKNFJCC-HNNXBMFYSA-N 2 1 292.492 3.753 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C3CCCC3)C2)s1 ZINC000649603509 1129662513 /nfs/dbraw/zinc/66/25/13/1129662513.db2.gz QJDXGRCFKNFJCC-HNNXBMFYSA-N 2 1 292.492 3.753 20 0 CHADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3ccccc3)o2)C1 ZINC000098173206 1129668677 /nfs/dbraw/zinc/66/86/77/1129668677.db2.gz WNKPMCNWFFWYJP-MRXNPFEDSA-N 2 1 298.430 3.768 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3ccccc3)o2)C1 ZINC000098173206 1129668678 /nfs/dbraw/zinc/66/86/78/1129668678.db2.gz WNKPMCNWFFWYJP-MRXNPFEDSA-N 2 1 298.430 3.768 20 0 CHADMP C[C@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)CCc2ccccc21 ZINC000649833097 1129680594 /nfs/dbraw/zinc/68/05/94/1129680594.db2.gz FCQSEPLJPAFDMO-WMZOPIPTSA-N 2 1 286.463 3.523 20 0 CHADMP C[C@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)CCc2ccccc21 ZINC000649833097 1129680597 /nfs/dbraw/zinc/68/05/97/1129680597.db2.gz FCQSEPLJPAFDMO-WMZOPIPTSA-N 2 1 286.463 3.523 20 0 CHADMP C[C@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)CCc2ccccc21 ZINC000649833097 1129680599 /nfs/dbraw/zinc/68/05/99/1129680599.db2.gz FCQSEPLJPAFDMO-WMZOPIPTSA-N 2 1 286.463 3.523 20 0 CHADMP CC(C)C[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001169049712 1129691833 /nfs/dbraw/zinc/69/18/33/1129691833.db2.gz JMZPWCTYWSZJPF-RBUKOAKNSA-N 2 1 288.479 3.575 20 0 CHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1)C2 ZINC001169093815 1129696350 /nfs/dbraw/zinc/69/63/50/1129696350.db2.gz JGFMOLFAEZFDJP-QKDCVEJESA-N 2 1 299.245 3.708 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1)C2 ZINC001169093815 1129696351 /nfs/dbraw/zinc/69/63/51/1129696351.db2.gz JGFMOLFAEZFDJP-QKDCVEJESA-N 2 1 299.245 3.708 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCC3(CCCC3)CC1)C2 ZINC001169092855 1129696853 /nfs/dbraw/zinc/69/68/53/1129696853.db2.gz DDSFYVQGJZVQRZ-BJWYYQGGSA-N 2 1 276.468 3.704 20 0 CHADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC001169094497 1129696899 /nfs/dbraw/zinc/69/68/99/1129696899.db2.gz LXPBAYLEKRELBB-KSYCFECVSA-N 2 1 278.827 3.616 20 0 CHADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)c(Cl)c1 ZINC001169099744 1129696926 /nfs/dbraw/zinc/69/69/26/1129696926.db2.gz UQVKJDSQSKMKND-RUZUBIRVSA-N 2 1 296.817 3.755 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1F ZINC001169102325 1129697499 /nfs/dbraw/zinc/69/74/99/1129697499.db2.gz ZTTGKRFVMXUPTJ-AFIMGQEJSA-N 2 1 290.426 3.882 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1F ZINC001169102325 1129697501 /nfs/dbraw/zinc/69/75/01/1129697501.db2.gz ZTTGKRFVMXUPTJ-AFIMGQEJSA-N 2 1 290.426 3.882 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCc3cc(Cl)ccc31)C2 ZINC001169099781 1129697666 /nfs/dbraw/zinc/69/76/66/1129697666.db2.gz VNPROTZOIJTOHE-PNBKFKSVSA-N 2 1 290.838 3.542 20 0 CHADMP CC(C)[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC001169100726 1129697736 /nfs/dbraw/zinc/69/77/36/1129697736.db2.gz MAMULAUWASPGRH-MHORFTMASA-N 2 1 290.426 3.738 20 0 CHADMP CCC(CC)([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001169089987 1129699270 /nfs/dbraw/zinc/69/92/70/1129699270.db2.gz HHPPXNJLQSGMAY-BCDXTJNWSA-N 2 1 286.463 3.917 20 0 CHADMP CCCCc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169091697 1129699770 /nfs/dbraw/zinc/69/97/70/1129699770.db2.gz UQHBPQZFVUSCHI-REPLKXPHSA-N 2 1 286.463 3.744 20 0 CHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)C2 ZINC001169092135 1129700432 /nfs/dbraw/zinc/70/04/32/1129700432.db2.gz YFCAZPAIZJDWAN-XYYAHUGASA-N 2 1 299.245 3.708 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)C2 ZINC001169092135 1129700434 /nfs/dbraw/zinc/70/04/34/1129700434.db2.gz YFCAZPAIZJDWAN-XYYAHUGASA-N 2 1 299.245 3.708 20 0 CHADMP CC(C)C[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126138 1129701351 /nfs/dbraw/zinc/70/13/51/1129701351.db2.gz QCQBYJJYCIZRBX-REPLKXPHSA-N 2 1 286.463 3.770 20 0 CHADMP CC(C)C[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169126138 1129701352 /nfs/dbraw/zinc/70/13/52/1129701352.db2.gz QCQBYJJYCIZRBX-REPLKXPHSA-N 2 1 286.463 3.770 20 0 CHADMP CC(C)C[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169126138 1129701354 /nfs/dbraw/zinc/70/13/54/1129701354.db2.gz QCQBYJJYCIZRBX-REPLKXPHSA-N 2 1 286.463 3.770 20 0 CHADMP Cc1ccccc1[C@@H]1CCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169129869 1129702029 /nfs/dbraw/zinc/70/20/29/1129702029.db2.gz LEVBEMPRASBTCJ-FAJBIJEISA-N 2 1 284.447 3.757 20 0 CHADMP Cc1ccccc1[C@@H]1CCC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169129869 1129702030 /nfs/dbraw/zinc/70/20/30/1129702030.db2.gz LEVBEMPRASBTCJ-FAJBIJEISA-N 2 1 284.447 3.757 20 0 CHADMP Cc1ccccc1[C@@H]1CCC[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169129869 1129702033 /nfs/dbraw/zinc/70/20/33/1129702033.db2.gz LEVBEMPRASBTCJ-FAJBIJEISA-N 2 1 284.447 3.757 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(C)c(C)c1 ZINC001169107139 1129703247 /nfs/dbraw/zinc/70/32/47/1129703247.db2.gz DZFNYISYLPFCJE-AKHDSKFASA-N 2 1 286.463 3.969 20 0 CHADMP CCc1cccc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)[nH+]1 ZINC001169151701 1129705534 /nfs/dbraw/zinc/70/55/34/1129705534.db2.gz LXZGFWNWCDIKBK-WMLDXEAASA-N 2 1 275.440 3.600 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](c2ccccc2)C2CCCC2)CC1 ZINC001169229629 1129710330 /nfs/dbraw/zinc/71/03/30/1129710330.db2.gz GEQHUFAWIPKHPK-IBGZPJMESA-N 2 1 286.463 3.992 20 0 CHADMP CC[NH+]1CCC([NH2+]C(CC)(CC)c2ccccc2)CC1 ZINC001169225683 1129710421 /nfs/dbraw/zinc/71/04/21/1129710421.db2.gz ZJBFEQDSYQWKRT-UHFFFAOYSA-N 2 1 274.452 3.776 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](CC(C)C)c2cccc(F)c2)CC1 ZINC001169230063 1129710670 /nfs/dbraw/zinc/71/06/70/1129710670.db2.gz MSYAIYXONUNJKU-GOSISDBHSA-N 2 1 292.442 3.987 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccc3ccsc3c2)CCC[C@H]1C[NH3+] ZINC001206013072 1129738287 /nfs/dbraw/zinc/73/82/87/1129738287.db2.gz PELVTRXVTOOVMD-BBRMVZONSA-N 2 1 288.460 3.708 20 0 CHADMP CCCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001169901700 1129763418 /nfs/dbraw/zinc/76/34/18/1129763418.db2.gz YGNVWNNCADQUEI-KDURUIRLSA-N 2 1 286.463 3.631 20 0 CHADMP CCCCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001169901700 1129763423 /nfs/dbraw/zinc/76/34/23/1129763423.db2.gz YGNVWNNCADQUEI-KDURUIRLSA-N 2 1 286.463 3.631 20 0 CHADMP CC(C)c1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206025698 1129766743 /nfs/dbraw/zinc/76/67/43/1129766743.db2.gz PDYGLVQJSYWAJP-MAUKXSAKSA-N 2 1 274.452 3.617 20 0 CHADMP CC[C@H](C)C[C@H](CC)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001258798385 1129777535 /nfs/dbraw/zinc/77/75/35/1129777535.db2.gz SREKUMNHXGRZBW-HOTGVXAUSA-N 2 1 266.473 3.619 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCC(F)(F)[C@@H](F)C1 ZINC001258908250 1129845881 /nfs/dbraw/zinc/84/58/81/1129845881.db2.gz UANVWSBSUSGFOG-KGLIPLIRSA-N 2 1 294.405 3.566 20 0 CHADMP C[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000381983702 1129853788 /nfs/dbraw/zinc/85/37/88/1129853788.db2.gz NNJBOAXRXVCXEJ-BHIYHBOVSA-N 2 1 286.463 3.677 20 0 CHADMP CCCC[C@@H](CC(C)C)[NH2+]C[C@]1(C)CC[NH2+]CC1(F)F ZINC001246221868 1131409945 /nfs/dbraw/zinc/40/99/45/1131409945.db2.gz OVAKQOFQPBOLIP-GJZGRUSLSA-N 2 1 290.442 3.816 20 0 CHADMP CCOC(=[NH2+])c1cccc(-c2ccccc2C[NH+](C)C)c1 ZINC001239684426 1130053732 /nfs/dbraw/zinc/05/37/32/1130053732.db2.gz RCZKXQHTPWAQKP-UHFFFAOYSA-N 2 1 282.387 3.777 20 0 CHADMP C[NH+](C)Cc1ccccc1-c1cc(F)c2c(c1)C[N@H+](C)CC2 ZINC001239686178 1130055111 /nfs/dbraw/zinc/05/51/11/1130055111.db2.gz KGGGHQSUTJMIJE-UHFFFAOYSA-N 2 1 298.405 3.542 20 0 CHADMP C[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903086368 1130110319 /nfs/dbraw/zinc/11/03/19/1130110319.db2.gz NPMXNJBJBHTBJP-XIHRNRATSA-N 2 1 298.474 3.928 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[C@@H](C)C1 ZINC000903097330 1130111140 /nfs/dbraw/zinc/11/11/40/1130111140.db2.gz QYGWVZNBKNXRGL-IFORVRASSA-N 2 1 276.468 3.559 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CCCCC1 ZINC000903100144 1130112776 /nfs/dbraw/zinc/11/27/76/1130112776.db2.gz QLSJVQHQLSUFQT-ZVRJUHEZSA-N 2 1 276.468 3.703 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H](C)c1ccccc1 ZINC000903105820 1130113115 /nfs/dbraw/zinc/11/31/15/1130113115.db2.gz UTDISVOCUJUGRJ-IKSGUOMFSA-N 2 1 298.474 3.926 20 0 CHADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1CCC[C@@H]1C1CC1 ZINC000903184902 1130125850 /nfs/dbraw/zinc/12/58/50/1130125850.db2.gz GEJPBNADSAWFBM-HUUCDWIBSA-N 2 1 288.479 3.560 20 0 CHADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1CCC[C@H]1C1CC1 ZINC000903184904 1130126311 /nfs/dbraw/zinc/12/63/11/1130126311.db2.gz GEJPBNADSAWFBM-PQCNYSFFSA-N 2 1 288.479 3.560 20 0 CHADMP CCC[C@@H](C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903216576 1130131163 /nfs/dbraw/zinc/13/11/63/1130131163.db2.gz DPHACNHGUGYGMS-ZBSSRIJBSA-N 2 1 264.457 3.560 20 0 CHADMP CCSc1ccccc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000903425245 1130175150 /nfs/dbraw/zinc/17/51/50/1130175150.db2.gz YHTUCNYMXFJVOX-UHFFFAOYSA-N 2 1 278.465 3.500 20 0 CHADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(-c3ccccc3)cc1)C2 ZINC000903848951 1130205532 /nfs/dbraw/zinc/20/55/32/1130205532.db2.gz VJDYGYNFLMIUQB-DBVUQKKJSA-N 2 1 292.426 3.665 20 0 CHADMP CCCC[C@H](CC)CCN1CCc2sc(CN)nc2C1 ZINC000903942604 1130211049 /nfs/dbraw/zinc/21/10/49/1130211049.db2.gz RVQCKMZLHRARLR-ZDUSSCGKSA-N 2 1 295.496 3.566 20 0 CHADMP Cc1c(Cl)cccc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206572139 1130237140 /nfs/dbraw/zinc/23/71/40/1130237140.db2.gz BGSFQCBPSURSKK-MRXNPFEDSA-N 2 1 280.843 3.599 20 0 CHADMP C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001170109203 1130255374 /nfs/dbraw/zinc/25/53/74/1130255374.db2.gz LZQGZPQKEJLDQS-AXDKOMKPSA-N 2 1 298.474 3.960 20 0 CHADMP C[C@@H]1CC[C@H]([N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170118448 1130275635 /nfs/dbraw/zinc/27/56/35/1130275635.db2.gz SJMMYULLIMMSEG-OWYHZJEWSA-N 2 1 286.463 3.947 20 0 CHADMP C[C@@H]([NH3+])c1ccccc1C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001240390633 1130287942 /nfs/dbraw/zinc/28/79/42/1130287942.db2.gz XEXLMPFBHIXGFP-MRXNPFEDSA-N 2 1 292.426 3.996 20 0 CHADMP c1ccc(CCCCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000677237419 1130297134 /nfs/dbraw/zinc/29/71/34/1130297134.db2.gz GPIWJZKNUFTKHB-OALUTQOASA-N 2 1 286.463 3.616 20 0 CHADMP c1ccc(C[N@H+]2Cc3ccc(C4=CC[NH2+]CC4)cc3C2)cc1 ZINC001240470040 1130321748 /nfs/dbraw/zinc/32/17/48/1130321748.db2.gz QYCWOYSHGWKEEN-UHFFFAOYSA-N 2 1 290.410 3.579 20 0 CHADMP C[N@H+]1CCCC[C@H]1c1ccc(-c2ccn3ccnc3c2)nc1 ZINC001240503640 1130333186 /nfs/dbraw/zinc/33/31/86/1130333186.db2.gz QDIVDPSSBVDVJZ-KRWDZBQOSA-N 2 1 292.386 3.553 20 0 CHADMP Clc1cscc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000678139326 1130356816 /nfs/dbraw/zinc/35/68/16/1130356816.db2.gz RLPKAZUTXJTGPQ-UHFFFAOYSA-N 2 1 298.883 3.709 20 0 CHADMP C[C@@H]1CC[C@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC001170152672 1130362250 /nfs/dbraw/zinc/36/22/50/1130362250.db2.gz MKRNJMWUMOYOPO-APWZRJJASA-N 2 1 286.463 3.771 20 0 CHADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C1CC1 ZINC000678333820 1130400293 /nfs/dbraw/zinc/40/02/93/1130400293.db2.gz FZCPVSFFANGQNY-MSOLQXFVSA-N 2 1 284.447 3.623 20 0 CHADMP CCC(CC)(CC)C[NH2+]CCCCn1cc[nH+]c1C ZINC000679840336 1130559497 /nfs/dbraw/zinc/55/94/97/1130559497.db2.gz FOWHJGZIHIAXKF-UHFFFAOYSA-N 2 1 265.445 3.778 20 0 CHADMP Fc1cccc2c(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cccc12 ZINC001235001626 1130700701 /nfs/dbraw/zinc/70/07/01/1130700701.db2.gz UMQRVEXEBXMDBE-IBGZPJMESA-N 2 1 298.405 3.554 20 0 CHADMP CC(C)c1cccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235040019 1130704383 /nfs/dbraw/zinc/70/43/83/1130704383.db2.gz PWQHBVXZTBWACB-LJQANCHMSA-N 2 1 286.463 3.918 20 0 CHADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)CC1 ZINC001235042612 1130704652 /nfs/dbraw/zinc/70/46/52/1130704652.db2.gz YGCGBOOAEXWXDR-OKZBNKHCSA-N 2 1 276.468 3.587 20 0 CHADMP Cc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(C)c1Cl ZINC001235095784 1130710910 /nfs/dbraw/zinc/71/09/10/1130710910.db2.gz VPJHFDGIMNFKAD-UHFFFAOYSA-N 2 1 292.854 3.532 20 0 CHADMP CC(C)(CC[N@@H+]1CCCC[C@]12CC[NH2+]C2)c1ccccc1 ZINC001235122505 1130713829 /nfs/dbraw/zinc/71/38/29/1130713829.db2.gz GOBSBFTUTWFTNH-LJQANCHMSA-N 2 1 286.463 3.572 20 0 CHADMP CC(C)(CC[N@H+]1CCCC[C@]12CC[NH2+]C2)c1ccccc1 ZINC001235122505 1130713832 /nfs/dbraw/zinc/71/38/32/1130713832.db2.gz GOBSBFTUTWFTNH-LJQANCHMSA-N 2 1 286.463 3.572 20 0 CHADMP Clc1sccc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235155743 1130716871 /nfs/dbraw/zinc/71/68/71/1130716871.db2.gz DZYDIHOHSDQRCY-CQSZACIVSA-N 2 1 298.883 3.756 20 0 CHADMP Cc1c(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)cccc1-c1ccccc1 ZINC001235173648 1130717956 /nfs/dbraw/zinc/71/79/56/1130717956.db2.gz KZTWQIKGEVNXAB-AZUAARDMSA-N 2 1 292.426 3.585 20 0 CHADMP Cc1c(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)cccc1-c1ccccc1 ZINC001235173648 1130717958 /nfs/dbraw/zinc/71/79/58/1130717958.db2.gz KZTWQIKGEVNXAB-AZUAARDMSA-N 2 1 292.426 3.585 20 0 CHADMP c1cc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)c2c(c1)CCCC2 ZINC001235175628 1130719728 /nfs/dbraw/zinc/71/97/28/1130719728.db2.gz ABHPNHLOHNOVMR-FQEVSTJZSA-N 2 1 298.474 3.674 20 0 CHADMP c1cc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)c2c(c1)CCCC2 ZINC001235175628 1130719733 /nfs/dbraw/zinc/71/97/33/1130719733.db2.gz ABHPNHLOHNOVMR-FQEVSTJZSA-N 2 1 298.474 3.674 20 0 CHADMP c1oc2ccccc2c1C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235189391 1130720871 /nfs/dbraw/zinc/72/08/71/1130720871.db2.gz KJJDDRXRVABBDN-UHFFFAOYSA-N 2 1 284.403 3.541 20 0 CHADMP c1cc2cc(C[N@H+]3CCCCC34CC[NH2+]CC4)ccc2o1 ZINC001235190173 1130721223 /nfs/dbraw/zinc/72/12/23/1130721223.db2.gz VFMBJQMZNPTQDJ-UHFFFAOYSA-N 2 1 284.403 3.541 20 0 CHADMP Cc1csc(C[N@@H+]2CCCCC23CC[NH2+]CC3)c1Cl ZINC001235191749 1130722223 /nfs/dbraw/zinc/72/22/23/1130722223.db2.gz XQSRJDPSYZRYTM-UHFFFAOYSA-N 2 1 298.883 3.818 20 0 CHADMP Cc1csc(C[N@H+]2CCCCC23CC[NH2+]CC3)c1Cl ZINC001235191749 1130722225 /nfs/dbraw/zinc/72/22/25/1130722225.db2.gz XQSRJDPSYZRYTM-UHFFFAOYSA-N 2 1 298.883 3.818 20 0 CHADMP CCc1cccc(C)c1C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235192107 1130722381 /nfs/dbraw/zinc/72/23/81/1130722381.db2.gz WRBQJBSQZDNTGU-UHFFFAOYSA-N 2 1 286.463 3.666 20 0 CHADMP CC/C=C\CCC[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235350219 1130736284 /nfs/dbraw/zinc/73/62/84/1130736284.db2.gz WUZMBQIBENPBAU-JGAFRWBPSA-N 2 1 298.474 3.812 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235410508 1130740905 /nfs/dbraw/zinc/74/09/05/1130740905.db2.gz YILLZPCZUDEQSC-RCCFBDPRSA-N 2 1 296.474 3.783 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC001235425578 1130741186 /nfs/dbraw/zinc/74/11/86/1130741186.db2.gz LXYFJEVWCBEVDZ-PKOBYXMFSA-N 2 1 286.463 3.515 20 0 CHADMP Cc1cc(C)cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235426230 1130741497 /nfs/dbraw/zinc/74/14/97/1130741497.db2.gz NZZUUCZRAGJTCE-MOPGFXCFSA-N 2 1 286.463 3.515 20 0 CHADMP Cc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1C ZINC001235424825 1130741564 /nfs/dbraw/zinc/74/15/64/1130741564.db2.gz KHGKYJSHBXNDIJ-IEBWSBKVSA-N 2 1 286.463 3.515 20 0 CHADMP c1cc2cc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)ccc2o1 ZINC001235422794 1130741679 /nfs/dbraw/zinc/74/16/79/1130741679.db2.gz FMFCSNWZVVIWCJ-ZWKOTPCHSA-N 2 1 298.430 3.644 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC001235425575 1130742402 /nfs/dbraw/zinc/74/24/02/1130742402.db2.gz LXYFJEVWCBEVDZ-MJGOQNOKSA-N 2 1 286.463 3.515 20 0 CHADMP Cc1ccc(C)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235428590 1130742557 /nfs/dbraw/zinc/74/25/57/1130742557.db2.gz VKXDBOIIQPQWOY-MSOLQXFVSA-N 2 1 286.463 3.515 20 0 CHADMP C[N@@H+](Cc1ccc(F)c(-c2ccccc2)c1)C1CC[NH2+]CC1 ZINC001235465265 1130747657 /nfs/dbraw/zinc/74/76/57/1130747657.db2.gz IMWBYVUCUXZAST-UHFFFAOYSA-N 2 1 298.405 3.677 20 0 CHADMP c1ccc([C@H]2CCC[N@H+](CC3CC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001235663594 1130762918 /nfs/dbraw/zinc/76/29/18/1130762918.db2.gz IPBDMDNPUPCUAZ-IBGZPJMESA-N 2 1 298.474 3.646 20 0 CHADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC001235672929 1130763584 /nfs/dbraw/zinc/76/35/84/1130763584.db2.gz JPBZKOMVXVKELL-AWEZNQCLSA-N 2 1 294.398 3.757 20 0 CHADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(-c3cccs3)s2)C1 ZINC001235672856 1130764292 /nfs/dbraw/zinc/76/42/92/1130764292.db2.gz ISDUYHDNELQDCL-GFCCVEGCSA-N 2 1 292.473 3.647 20 0 CHADMP CCCC[N@@H+](Cc1ccccc1)CC1(C)CC[NH2+]CC1 ZINC001235664451 1130764328 /nfs/dbraw/zinc/76/43/28/1130764328.db2.gz UBZMIAYIHUIYSP-UHFFFAOYSA-N 2 1 274.452 3.678 20 0 CHADMP Cc1ccc([C@H]2CCC[N@H+]2Cc2cccc(C[NH3+])c2)cc1 ZINC001235677077 1130765432 /nfs/dbraw/zinc/76/54/32/1130765432.db2.gz FNFONPQTOTZOPT-LJQANCHMSA-N 2 1 280.415 3.791 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](C[NH3+])C3)cc2)cc1 ZINC001235675160 1130766184 /nfs/dbraw/zinc/76/61/84/1130766184.db2.gz JYUYGZXFAIMQRE-SFHVURJKSA-N 2 1 294.442 3.833 20 0 CHADMP Fc1ccccc1[C@@H]1CCCC[N@@H+]1CC[C@H]1CCCC[NH2+]1 ZINC001235679034 1130767918 /nfs/dbraw/zinc/76/79/18/1130767918.db2.gz ODISUUZTWKEQHH-QAPCUYQASA-N 2 1 290.426 3.885 20 0 CHADMP Fc1ccccc1[C@@H]1CCCC[N@H+]1CC[C@H]1CCCC[NH2+]1 ZINC001235679034 1130767921 /nfs/dbraw/zinc/76/79/21/1130767921.db2.gz ODISUUZTWKEQHH-QAPCUYQASA-N 2 1 290.426 3.885 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@H+]2CC2CC3(C2)CC[NH2+]CC3)cc1 ZINC001235678821 1130768166 /nfs/dbraw/zinc/76/81/66/1130768166.db2.gz GFDIHTMHCYXVCZ-IBGZPJMESA-N 2 1 298.474 3.912 20 0 CHADMP c1cc([C@H]2CCC[N@H+]2CCC[NH2+]C2CCCCC2)ccn1 ZINC001235691709 1130769433 /nfs/dbraw/zinc/76/94/33/1130769433.db2.gz MJGUNELNRMFQKT-GOSISDBHSA-N 2 1 287.451 3.531 20 0 CHADMP c1cc([C@H]2CCC[N@@H+]2CCC[NH2+]C2CCCCC2)ccn1 ZINC001235691709 1130769437 /nfs/dbraw/zinc/76/94/37/1130769437.db2.gz MJGUNELNRMFQKT-GOSISDBHSA-N 2 1 287.451 3.531 20 0 CHADMP Clc1ccccc1[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001235694079 1130769971 /nfs/dbraw/zinc/76/99/71/1130769971.db2.gz LBMCECMSGAJSEB-YOEHRIQHSA-N 2 1 292.854 3.867 20 0 CHADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(F)c(C2CC2)c1 ZINC001235717885 1130771351 /nfs/dbraw/zinc/77/13/51/1130771351.db2.gz ONECRDYDMVDTPC-UHFFFAOYSA-N 2 1 290.426 3.525 20 0 CHADMP Fc1cccc([C@@H]2CCC[N@H+]2Cc2ccc3c(c2)C[NH2+]C3)c1 ZINC001235715916 1130771511 /nfs/dbraw/zinc/77/15/11/1130771511.db2.gz XUEZJPIPJTVBJF-IBGZPJMESA-N 2 1 296.389 3.766 20 0 CHADMP CC[NH2+]C1CC[NH+](Cc2ccc(-c3ccc(C)o3)cc2)CC1 ZINC001235727603 1130772764 /nfs/dbraw/zinc/77/27/64/1130772764.db2.gz ZPZCXPYUOSKMOG-UHFFFAOYSA-N 2 1 298.430 3.829 20 0 CHADMP CC[NH2+]C1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC001235723757 1130773794 /nfs/dbraw/zinc/77/37/94/1130773794.db2.gz AIPJMYGQJQTVDW-UHFFFAOYSA-N 2 1 294.442 3.928 20 0 CHADMP CC[N@@H+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001235761204 1130776188 /nfs/dbraw/zinc/77/61/88/1130776188.db2.gz RCSMEKJGFXYCBG-YOEHRIQHSA-N 2 1 292.854 3.517 20 0 CHADMP CCCCCCc1csc(C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC001235751395 1130776453 /nfs/dbraw/zinc/77/64/53/1130776453.db2.gz XWOAETFVYKPIRL-OAHLLOKOSA-N 2 1 280.481 3.652 20 0 CHADMP Cc1cc(Oc2ccccc2)ccc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC001235750656 1130777480 /nfs/dbraw/zinc/77/74/80/1130777480.db2.gz REKVHTTZIMEMMD-INIZCTEOSA-N 2 1 296.414 3.568 20 0 CHADMP CC[N@@H+](CC1(c2ccccc2)CCCC1)C1CC[NH2+]CC1 ZINC001235759987 1130777492 /nfs/dbraw/zinc/77/74/92/1130777492.db2.gz LMLKNYSNYXSPPI-UHFFFAOYSA-N 2 1 286.463 3.572 20 0 CHADMP CCCCCCc1csc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)c1 ZINC001235840611 1130786337 /nfs/dbraw/zinc/78/63/37/1130786337.db2.gz QNQKWGBSOVFVJR-INIZCTEOSA-N 2 1 294.508 3.912 20 0 CHADMP C[N@H+](Cc1cccc2c3ccccc3oc21)C[C@H]1CC[NH2+]C1 ZINC001235841434 1130786991 /nfs/dbraw/zinc/78/69/91/1130786991.db2.gz FUNFWGRGEZDREZ-AWEZNQCLSA-N 2 1 294.398 3.627 20 0 CHADMP C[N@H+](Cc1ccc(Oc2ccccc2)cc1)C[C@@H]1CC[NH2+]C1 ZINC001235841939 1130787287 /nfs/dbraw/zinc/78/72/87/1130787287.db2.gz KLRKBQWIEUBBRO-QGZVFWFLSA-N 2 1 296.414 3.520 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001235842166 1130787782 /nfs/dbraw/zinc/78/77/82/1130787782.db2.gz MFBVTKKUCJPGOP-QGZVFWFLSA-N 2 1 294.442 3.703 20 0 CHADMP CC1(C)[C@@H]2C[C@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC001170716084 1130798940 /nfs/dbraw/zinc/79/89/40/1130798940.db2.gz OQLCCANWIDBOPE-REPLKXPHSA-N 2 1 298.474 3.675 20 0 CHADMP CC1(C)[C@@H]2C[C@@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC001170716082 1130799171 /nfs/dbraw/zinc/79/91/71/1130799171.db2.gz OQLCCANWIDBOPE-LDLYASANSA-N 2 1 298.474 3.675 20 0 CHADMP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001235903033 1130801035 /nfs/dbraw/zinc/80/10/35/1130801035.db2.gz ICTVNXUURZKSRQ-IFXJQAMLSA-N 2 1 298.405 3.804 20 0 CHADMP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001235903033 1130801040 /nfs/dbraw/zinc/80/10/40/1130801040.db2.gz ICTVNXUURZKSRQ-IFXJQAMLSA-N 2 1 298.405 3.804 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+]1C[C@@H]([NH3+])CC[C@@H]1C ZINC001235907719 1130802902 /nfs/dbraw/zinc/80/29/02/1130802902.db2.gz SRQNAMQGILIHSO-AAEUAGOBSA-N 2 1 274.433 3.521 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+]1C[C@@H]([NH3+])CC[C@@H]1C ZINC001235907719 1130802908 /nfs/dbraw/zinc/80/29/08/1130802908.db2.gz SRQNAMQGILIHSO-AAEUAGOBSA-N 2 1 274.433 3.521 20 0 CHADMP Cc1csc2sc(C[N@H+]3CCC[C@H]3CC[NH3+])c(C)c12 ZINC001235925879 1130805634 /nfs/dbraw/zinc/80/56/34/1130805634.db2.gz QLVDPWVZQDERCS-LBPRGKRZSA-N 2 1 294.489 3.893 20 0 CHADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CCC[C@H]2CC[NH3+])cc1 ZINC001235925603 1130805666 /nfs/dbraw/zinc/80/56/66/1130805666.db2.gz XALPTXCISMRJLL-APWZRJJASA-N 2 1 288.479 3.802 20 0 CHADMP CC[C@H]1CCCC[N@H+]1Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001235927091 1130807038 /nfs/dbraw/zinc/80/70/38/1130807038.db2.gz BJFOALQDHOTISQ-KRWDZBQOSA-N 2 1 297.446 3.509 20 0 CHADMP Cc1c(C[N@@H+](CC[NH3+])C(C)C)cccc1-c1ccccc1 ZINC001235946933 1130812666 /nfs/dbraw/zinc/81/26/66/1130812666.db2.gz DLXBYDLSVPRGEI-UHFFFAOYSA-N 2 1 282.431 3.831 20 0 CHADMP Cc1c(C[N@H+](CC[NH3+])C(C)C)cccc1-c1ccccc1 ZINC001235946933 1130812669 /nfs/dbraw/zinc/81/26/69/1130812669.db2.gz DLXBYDLSVPRGEI-UHFFFAOYSA-N 2 1 282.431 3.831 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235951960 1130814516 /nfs/dbraw/zinc/81/45/16/1130814516.db2.gz WKLDPZZMYCQVHB-DLBZAZTESA-N 2 1 266.473 3.690 20 0 CHADMP Clc1cccc([C@H]2CC[N@H+](CC[C@H]3CCCC[NH2+]3)C2)c1 ZINC001235949731 1130815007 /nfs/dbraw/zinc/81/50/07/1130815007.db2.gz GULXIZPKMFKEJU-DOTOQJQBSA-N 2 1 292.854 3.662 20 0 CHADMP Clc1cccc([C@H]2CC[N@@H+](CC[C@H]3CCCC[NH2+]3)C2)c1 ZINC001235949731 1130815012 /nfs/dbraw/zinc/81/50/12/1130815012.db2.gz GULXIZPKMFKEJU-DOTOQJQBSA-N 2 1 292.854 3.662 20 0 CHADMP Clc1cccc([C@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235949485 1130815044 /nfs/dbraw/zinc/81/50/44/1130815044.db2.gz AHYFEEISWBMGAI-HOCLYGCPSA-N 2 1 292.854 3.519 20 0 CHADMP CC[N@@H+](Cc1ccc(Cl)cc1)Cc1cccc(C[NH3+])c1 ZINC001235959267 1130816322 /nfs/dbraw/zinc/81/63/22/1130816322.db2.gz FRWXKRCFODTHDJ-UHFFFAOYSA-N 2 1 288.822 3.821 20 0 CHADMP [NH3+]Cc1cccc(C[N@H+]2CCC[C@H](c3ccccc3)CC2)c1 ZINC001235959311 1130817065 /nfs/dbraw/zinc/81/70/65/1130817065.db2.gz HAOCLCIUKRCYAJ-FQEVSTJZSA-N 2 1 294.442 3.915 20 0 CHADMP c1ccc([C@@H]2CCC[N@H+](CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001235958796 1130817334 /nfs/dbraw/zinc/81/73/34/1130817334.db2.gz AIOWLICSKAAUBV-IEBWSBKVSA-N 2 1 286.463 3.646 20 0 CHADMP CC[N@@H+](Cc1ccc(Cl)cc1)Cc1ccc(C[NH3+])cc1 ZINC001235963615 1130820964 /nfs/dbraw/zinc/82/09/64/1130820964.db2.gz WLGPEGPPUNQOST-UHFFFAOYSA-N 2 1 288.822 3.821 20 0 CHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(C)cc3)cc2)C1 ZINC001236068960 1130847858 /nfs/dbraw/zinc/84/78/58/1130847858.db2.gz ZJPAMPXIALEFRH-SFHVURJKSA-N 2 1 294.442 3.703 20 0 CHADMP CC(C)=CCCC1=CC[C@H](C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC001236094104 1130857273 /nfs/dbraw/zinc/85/72/73/1130857273.db2.gz NSZMWWQBSUMOJK-NJAFHUGGSA-N 2 1 276.468 3.738 20 0 CHADMP Cc1csc2sc(C[N@@H+]3CCC[NH2+][C@@H](C)C3)c(C)c12 ZINC001236095584 1130859813 /nfs/dbraw/zinc/85/98/13/1130859813.db2.gz WVPJCERJTNKWDY-NSHDSACASA-N 2 1 294.489 3.763 20 0 CHADMP Cc1csc2sc(C[N@H+]3CCC[NH2+][C@@H](C)C3)c(C)c12 ZINC001236095584 1130859816 /nfs/dbraw/zinc/85/98/16/1130859816.db2.gz WVPJCERJTNKWDY-NSHDSACASA-N 2 1 294.489 3.763 20 0 CHADMP C[N@@H+](CCCC[NH3+])Cc1ccc(-c2cccc(Cl)c2)o1 ZINC001236141875 1130873830 /nfs/dbraw/zinc/87/38/30/1130873830.db2.gz NOTHEYVOGBOFKR-UHFFFAOYSA-N 2 1 292.810 3.771 20 0 CHADMP C[N@@H+](CCCC[NH3+])Cc1cccc(-c2ccc(F)cc2)c1 ZINC001236142580 1130873999 /nfs/dbraw/zinc/87/39/99/1130873999.db2.gz YRVYDLVBRNKYEF-UHFFFAOYSA-N 2 1 286.394 3.663 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]1c1c(F)cccc1F ZINC001236189285 1130881001 /nfs/dbraw/zinc/88/10/01/1130881001.db2.gz KRSAQUYJQAEJDK-HNNXBMFYSA-N 2 1 282.378 3.621 20 0 CHADMP CCC[N@@H+](Cc1ccc(Cl)c(CC)c1)C1CC[NH2+]CC1 ZINC001236185163 1130881940 /nfs/dbraw/zinc/88/19/40/1130881940.db2.gz YSLWJDFKOUAUHU-UHFFFAOYSA-N 2 1 294.870 3.866 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2cccc3sccc32)CC1 ZINC001236214850 1130890980 /nfs/dbraw/zinc/89/09/80/1130890980.db2.gz IDGRUWMDMJOSNR-UHFFFAOYSA-N 2 1 288.460 3.864 20 0 CHADMP C[N@@H+](Cc1cccc2sccc21)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236214546 1130891285 /nfs/dbraw/zinc/89/12/85/1130891285.db2.gz FSPQWLVATJOUPH-HUUCEWRRSA-N 2 1 274.433 3.603 20 0 CHADMP CCCCc1ccc(C[N@@H+](C)C2CCC([NH2+]C)CC2)cc1 ZINC001236215994 1130894232 /nfs/dbraw/zinc/89/42/32/1130894232.db2.gz VGBJNKGJPMPSDE-UHFFFAOYSA-N 2 1 288.479 3.992 20 0 CHADMP CCCC[N@@H+](Cc1ccccc1)C1CCC([NH3+])CC1 ZINC001236227691 1130896345 /nfs/dbraw/zinc/89/63/45/1130896345.db2.gz JQSZXDJHZYJICN-UHFFFAOYSA-N 2 1 260.425 3.559 20 0 CHADMP Fc1ccc(C[NH+]2CCC[NH2+]CCC2)cc1-c1ccccc1 ZINC001236239055 1130901227 /nfs/dbraw/zinc/90/12/27/1130901227.db2.gz AIFSLTPNYALDCM-UHFFFAOYSA-N 2 1 298.405 3.678 20 0 CHADMP CC[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001236302668 1130910723 /nfs/dbraw/zinc/91/07/23/1130910723.db2.gz ARASUSHKHSTUCC-KGLIPLIRSA-N 2 1 286.341 3.580 20 0 CHADMP CC[C@@H]([NH3+])C[N@H+]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001236302668 1130910726 /nfs/dbraw/zinc/91/07/26/1130910726.db2.gz ARASUSHKHSTUCC-KGLIPLIRSA-N 2 1 286.341 3.580 20 0 CHADMP [NH3+]CCCC[N@H+]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001236302660 1130911442 /nfs/dbraw/zinc/91/14/42/1130911442.db2.gz AIJYSLOMVFRKJJ-AWEZNQCLSA-N 2 1 286.341 3.581 20 0 CHADMP CC/C=C\CC[N@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236367425 1130921046 /nfs/dbraw/zinc/92/10/46/1130921046.db2.gz PBZCKZXCKGMCRR-ARJAWSKDSA-N 2 1 290.426 3.736 20 0 CHADMP CC/C=C\CC[N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236367425 1130921052 /nfs/dbraw/zinc/92/10/52/1130921052.db2.gz PBZCKZXCKGMCRR-ARJAWSKDSA-N 2 1 290.426 3.736 20 0 CHADMP Cc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cs1 ZINC001236376778 1130923676 /nfs/dbraw/zinc/92/36/76/1130923676.db2.gz VKAKZBDNXOWDSM-OAHLLOKOSA-N 2 1 292.492 3.801 20 0 CHADMP CC[N@H+](Cc1sc2ccccc2c1C)C[C@@H]1CC[NH2+]C1 ZINC001236409836 1130931835 /nfs/dbraw/zinc/93/18/35/1130931835.db2.gz XMSIPORPSQHNBV-CQSZACIVSA-N 2 1 288.460 3.641 20 0 CHADMP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001236421929 1130937141 /nfs/dbraw/zinc/93/71/41/1130937141.db2.gz UNOXNOUNLKXOCL-CZUORRHYSA-N 2 1 299.462 3.777 20 0 CHADMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001236421929 1130937147 /nfs/dbraw/zinc/93/71/47/1130937147.db2.gz UNOXNOUNLKXOCL-CZUORRHYSA-N 2 1 299.462 3.777 20 0 CHADMP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccccc1-c1ccccc1 ZINC001236422469 1130937366 /nfs/dbraw/zinc/93/73/66/1130937366.db2.gz WOIPWIVIHYAPOF-DNVCBOLYSA-N 2 1 280.415 3.665 20 0 CHADMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccccc1-c1ccccc1 ZINC001236422469 1130937370 /nfs/dbraw/zinc/93/73/70/1130937370.db2.gz WOIPWIVIHYAPOF-DNVCBOLYSA-N 2 1 280.415 3.665 20 0 CHADMP Cc1cc(C)cc([C@@H]2CCC[N@H+]2CC[C@@H]2CCCC[NH2+]2)c1 ZINC001236428893 1130939951 /nfs/dbraw/zinc/93/99/51/1130939951.db2.gz QCPKVTFUDZXOAK-OALUTQOASA-N 2 1 286.463 3.973 20 0 CHADMP c1ccc(C[N@H+](CC[C@@H]2CCCC[NH2+]2)C2CCC2)cc1 ZINC001236439936 1130942467 /nfs/dbraw/zinc/94/24/67/1130942467.db2.gz CHHGUQVEGDHYPF-KRWDZBQOSA-N 2 1 272.436 3.573 20 0 CHADMP Cc1ccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)cc1C ZINC001236458889 1130947028 /nfs/dbraw/zinc/94/70/28/1130947028.db2.gz ZUGHKEBMPDUUSY-UHFFFAOYSA-N 2 1 288.479 3.904 20 0 CHADMP CC(C)[N@H+](Cc1ccc(C2CCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236470479 1130949064 /nfs/dbraw/zinc/94/90/64/1130949064.db2.gz IIJHIMZIEBZGSG-LJQANCHMSA-N 2 1 286.463 3.917 20 0 CHADMP CC(C)[N@@H+](Cc1ccc(C2CCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236470479 1130949068 /nfs/dbraw/zinc/94/90/68/1130949068.db2.gz IIJHIMZIEBZGSG-LJQANCHMSA-N 2 1 286.463 3.917 20 0 CHADMP CC(C)C[N@H+](Cc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236473054 1130949815 /nfs/dbraw/zinc/94/98/15/1130949815.db2.gz GDJUECZVIGTSEK-MRXNPFEDSA-N 2 1 280.843 3.550 20 0 CHADMP CC(C)C[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236473054 1130949819 /nfs/dbraw/zinc/94/98/19/1130949819.db2.gz GDJUECZVIGTSEK-MRXNPFEDSA-N 2 1 280.843 3.550 20 0 CHADMP CC[C@@H](C)C[N@@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001236489745 1130955700 /nfs/dbraw/zinc/95/57/00/1130955700.db2.gz QOJDFPJURDUXPB-CQSZACIVSA-N 2 1 292.442 3.734 20 0 CHADMP CCCCC[N@@H+](Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001236509185 1130959646 /nfs/dbraw/zinc/95/96/46/1130959646.db2.gz JCHDYKXXAIQLCJ-UHFFFAOYSA-N 2 1 292.442 3.878 20 0 CHADMP CC[C@H](C)C[N@@H+](Cc1ccc(F)cc1C)C1CC[NH2+]CC1 ZINC001236518060 1130961583 /nfs/dbraw/zinc/96/15/83/1130961583.db2.gz OTTIGCXKAVFUKF-AWEZNQCLSA-N 2 1 292.442 3.734 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCC2CC2)Cc2ccccc2F)CC1 ZINC001236533752 1130967661 /nfs/dbraw/zinc/96/76/61/1130967661.db2.gz GNRFYTLDUBZXLG-QAQDUYKDSA-N 2 1 290.426 3.698 20 0 CHADMP CCc1ccc(C[N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)o1 ZINC001236542474 1130969117 /nfs/dbraw/zinc/96/91/17/1130969117.db2.gz XGTCZSDHYJEUHD-WKILWMFISA-N 2 1 290.451 3.714 20 0 CHADMP Cc1cc(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)sc1C ZINC001236551366 1130973829 /nfs/dbraw/zinc/97/38/29/1130973829.db2.gz PBLSARHMVXPSJH-WKILWMFISA-N 2 1 292.492 3.847 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2Cl)CC2CC2)CC1 ZINC001236553319 1130974525 /nfs/dbraw/zinc/97/45/25/1130974525.db2.gz WGIFDNBWTGAUOC-WKILWMFISA-N 2 1 292.854 3.822 20 0 CHADMP Cc1cc(F)cc(C[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236573029 1130978384 /nfs/dbraw/zinc/97/83/84/1130978384.db2.gz UEVKCMQUKXIMTL-SAABIXHNSA-N 2 1 290.426 3.759 20 0 CHADMP Cc1ccsc1C[N@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236646068 1130988974 /nfs/dbraw/zinc/98/89/74/1130988974.db2.gz DIGDQBFDFIHKJA-OAHLLOKOSA-N 2 1 278.465 3.553 20 0 CHADMP Cc1ccsc1C[N@@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236646068 1130988978 /nfs/dbraw/zinc/98/89/78/1130988978.db2.gz DIGDQBFDFIHKJA-OAHLLOKOSA-N 2 1 278.465 3.553 20 0 CHADMP CCC[C@H](Cc1ccccc1)[N@@H+](CCC)C[C@H]1CC[NH2+]C1 ZINC001236662490 1130991154 /nfs/dbraw/zinc/99/11/54/1130991154.db2.gz JURIWGRVLLWVRY-RBUKOAKNSA-N 2 1 288.479 3.719 20 0 CHADMP C[N@H+](Cc1cccc2sccc21)CC1CC[NH+](C)CC1 ZINC001236679160 1130992092 /nfs/dbraw/zinc/99/20/92/1130992092.db2.gz KFXHLBWWCTXDBQ-UHFFFAOYSA-N 2 1 288.460 3.675 20 0 CHADMP Cc1cc(F)ccc1[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000815590160 1131005250 /nfs/dbraw/zinc/00/52/50/1131005250.db2.gz NFLSRIBHWDFSFG-AWEZNQCLSA-N 2 1 278.415 3.658 20 0 CHADMP CCC(CC)[N@@H+](CC1OC=CC1=S)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236799034 1131008040 /nfs/dbraw/zinc/00/80/40/1131008040.db2.gz PYIXQFURPIZXDM-MQMHXKEQSA-N 2 1 296.480 3.829 20 0 CHADMP CCC[N@@H+](C[C@H](C)CCC=C(C)C)C[C@@H]1CC[NH2+]C1 ZINC001236827756 1131013263 /nfs/dbraw/zinc/01/32/63/1131013263.db2.gz GOFBZGFJALAJAY-IAGOWNOFSA-N 2 1 266.473 3.690 20 0 CHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(-c4ccsc4)c3)C[C@@H]12 ZINC001236821032 1131013747 /nfs/dbraw/zinc/01/37/47/1131013747.db2.gz UIJLQCDPUGFVPV-KBAYOESNSA-N 2 1 298.455 3.584 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236819873 1131014760 /nfs/dbraw/zinc/01/47/60/1131014760.db2.gz OWSAQBWSZCNOGC-GWFLNRCXSA-N 2 1 264.457 3.572 20 0 CHADMP CCC[N@@H+](C[C@H](C)CCC=C(C)C)C[C@H]1CC[NH2+]C1 ZINC001236827760 1131014833 /nfs/dbraw/zinc/01/48/33/1131014833.db2.gz GOFBZGFJALAJAY-SJORKVTESA-N 2 1 266.473 3.690 20 0 CHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(-c4cccs4)cc3)C[C@@H]12 ZINC001236830780 1131016688 /nfs/dbraw/zinc/01/66/88/1131016688.db2.gz OTDSBZLYUFNOCZ-BRWVUGGUSA-N 2 1 298.455 3.584 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237058476 1131042787 /nfs/dbraw/zinc/04/27/87/1131042787.db2.gz PZSKLGMVTRGRCP-LJQANCHMSA-N 2 1 282.431 3.709 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@@H+](C[C@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001237055719 1131043845 /nfs/dbraw/zinc/04/38/45/1131043845.db2.gz FHCYFLBRHUPOFM-DJIMGWMZSA-N 2 1 292.854 3.504 20 0 CHADMP Cc1cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)cc(C)c1Cl ZINC001237081760 1131047923 /nfs/dbraw/zinc/04/79/23/1131047923.db2.gz MEVLRVGBDQQFNX-INIZCTEOSA-N 2 1 280.843 3.518 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)cc(C)c1Cl ZINC001237081760 1131047932 /nfs/dbraw/zinc/04/79/32/1131047932.db2.gz MEVLRVGBDQQFNX-INIZCTEOSA-N 2 1 280.843 3.518 20 0 CHADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCCCC1 ZINC001237082451 1131048080 /nfs/dbraw/zinc/04/80/80/1131048080.db2.gz PYCLJWJVVQIVTL-ALOPSCKCSA-N 2 1 264.457 3.549 20 0 CHADMP c1cc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c2c(c1)CCCC2 ZINC001237158132 1131062105 /nfs/dbraw/zinc/06/21/05/1131062105.db2.gz XWKNEQNXVIVSMQ-IBGZPJMESA-N 2 1 298.474 3.672 20 0 CHADMP c1cc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c2c(c1)CCCC2 ZINC001237158132 1131062112 /nfs/dbraw/zinc/06/21/12/1131062112.db2.gz XWKNEQNXVIVSMQ-IBGZPJMESA-N 2 1 298.474 3.672 20 0 CHADMP CC[NH+]1CCC([N@H+](C)Cc2ccc3cccccc2-3)CC1 ZINC001237191598 1131067782 /nfs/dbraw/zinc/06/77/82/1131067782.db2.gz WHARYXSTWJYVIH-UHFFFAOYSA-N 2 1 282.431 3.708 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc3cccccc2-3)CC1 ZINC001237191598 1131067787 /nfs/dbraw/zinc/06/77/87/1131067787.db2.gz WHARYXSTWJYVIH-UHFFFAOYSA-N 2 1 282.431 3.708 20 0 CHADMP C[N@H+](Cc1ccc2cccccc1-2)CC1CC[NH+](C)CC1 ZINC001237191141 1131068214 /nfs/dbraw/zinc/06/82/14/1131068214.db2.gz QIICKNRENLUMKA-UHFFFAOYSA-N 2 1 282.431 3.565 20 0 CHADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001237204030 1131071362 /nfs/dbraw/zinc/07/13/62/1131071362.db2.gz PPUDILABHQPAHS-DAYGRLMNSA-N 2 1 288.479 3.584 20 0 CHADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001237204030 1131071368 /nfs/dbraw/zinc/07/13/68/1131071368.db2.gz PPUDILABHQPAHS-DAYGRLMNSA-N 2 1 288.479 3.584 20 0 CHADMP CC[C@H](c1ccccc1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178526 1131073967 /nfs/dbraw/zinc/07/39/67/1131073967.db2.gz YSMVTGSESHLUDF-GOSISDBHSA-N 2 1 286.463 3.946 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC001206084742 1131079528 /nfs/dbraw/zinc/07/95/28/1131079528.db2.gz MVJIJFYLTDUSOF-CABCVRRESA-N 2 1 296.886 3.981 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC001206084742 1131079535 /nfs/dbraw/zinc/07/95/35/1131079535.db2.gz MVJIJFYLTDUSOF-CABCVRRESA-N 2 1 296.886 3.981 20 0 CHADMP Cc1sccc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000816610637 1131116552 /nfs/dbraw/zinc/11/65/52/1131116552.db2.gz RZJWQKSLXIHEGY-UHFFFAOYSA-N 2 1 288.460 3.750 20 0 CHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@@H]1CCc2c1cccc2F ZINC001116195863 1131133352 /nfs/dbraw/zinc/13/33/52/1131133352.db2.gz QMWXUAPYRHUJPX-KBXCAEBGSA-N 2 1 290.426 3.619 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCc2c1cccc2F ZINC001116195863 1131133357 /nfs/dbraw/zinc/13/33/57/1131133357.db2.gz QMWXUAPYRHUJPX-KBXCAEBGSA-N 2 1 290.426 3.619 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CCc2c1cccc2F ZINC001116195863 1131133359 /nfs/dbraw/zinc/13/33/59/1131133359.db2.gz QMWXUAPYRHUJPX-KBXCAEBGSA-N 2 1 290.426 3.619 20 0 CHADMP CC(C)C[N@@H+](C)Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237880616 1131147664 /nfs/dbraw/zinc/14/76/64/1131147664.db2.gz HEXQCUKGOKCGJU-UHFFFAOYSA-N 2 1 272.436 3.776 20 0 CHADMP CC[N@@H+](Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2)C1CC1 ZINC001237881460 1131148286 /nfs/dbraw/zinc/14/82/86/1131148286.db2.gz SHCWMEKEFCOVPV-UHFFFAOYSA-N 2 1 270.420 3.672 20 0 CHADMP CC(C)Oc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000817888379 1131185913 /nfs/dbraw/zinc/18/59/13/1131185913.db2.gz KVFCUMPKXGCIRM-OALUTQOASA-N 2 1 296.414 3.708 20 0 CHADMP Cc1cccc(F)c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000817896957 1131186881 /nfs/dbraw/zinc/18/68/81/1131186881.db2.gz AIABAAYDTHVONS-JCGIZDLHSA-N 2 1 290.426 3.535 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccccc2Cl)C1 ZINC001117639458 1131190245 /nfs/dbraw/zinc/19/02/45/1131190245.db2.gz HTGVJGDJBWJOCD-CABCVRRESA-N 2 1 294.870 3.591 20 0 CHADMP CCC[N@H+](CCC[NH+](C)C)Cc1[nH]c2ccccc2c1C ZINC001138399694 1131498260 /nfs/dbraw/zinc/49/82/60/1131498260.db2.gz AXDRCIWZPYZCJV-UHFFFAOYSA-N 2 1 287.451 3.640 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1[nH]c2ccccc2c1C ZINC001138399694 1131498262 /nfs/dbraw/zinc/49/82/62/1131498262.db2.gz AXDRCIWZPYZCJV-UHFFFAOYSA-N 2 1 287.451 3.640 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCCCC[C@H]2C)cc1 ZINC001138547724 1131519602 /nfs/dbraw/zinc/51/96/02/1131519602.db2.gz RVVXQUHACLONHP-OAHLLOKOSA-N 2 1 283.419 3.945 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCCCC[C@H]2C)cc1 ZINC001138547724 1131519604 /nfs/dbraw/zinc/51/96/04/1131519604.db2.gz RVVXQUHACLONHP-OAHLLOKOSA-N 2 1 283.419 3.945 20 0 CHADMP CCCOc1ccccc1C[N@H+](CCC)CCC[NH+](C)C ZINC001138998810 1131569695 /nfs/dbraw/zinc/56/96/95/1131569695.db2.gz QFKAZZZCLFOION-UHFFFAOYSA-N 2 1 292.467 3.639 20 0 CHADMP CCCOc1ccccc1C[N@@H+](CCC)CCC[NH+](C)C ZINC001138998810 1131569699 /nfs/dbraw/zinc/56/96/99/1131569699.db2.gz QFKAZZZCLFOION-UHFFFAOYSA-N 2 1 292.467 3.639 20 0 CHADMP C[C@@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246550776 1131607226 /nfs/dbraw/zinc/60/72/26/1131607226.db2.gz JPRVPTHSRYTFIU-XJKSGUPXSA-N 2 1 296.455 3.510 20 0 CHADMP Cc1ccc(SC[C@@H](C)[N@H+]2CCC[C@](C)([NH3+])CC2)cc1 ZINC001246554469 1131613574 /nfs/dbraw/zinc/61/35/74/1131613574.db2.gz VEWUZCBBMASZOD-WBVHZDCISA-N 2 1 292.492 3.679 20 0 CHADMP C[C@@H]1C[N@H+](C2CCC3(CCCC3)CC2)CCC[C@H]1C[NH3+] ZINC001246560410 1131622495 /nfs/dbraw/zinc/62/24/95/1131622495.db2.gz GIGGXIKDEDHPQP-CVEARBPZSA-N 2 1 278.484 3.796 20 0 CHADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OC)c(C(C)C)c1 ZINC001139624071 1131624924 /nfs/dbraw/zinc/62/49/24/1131624924.db2.gz HTOXDWDQUUQLIS-UHFFFAOYSA-N 2 1 292.467 3.592 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC)c(C(C)C)c1 ZINC001139624071 1131624926 /nfs/dbraw/zinc/62/49/26/1131624926.db2.gz HTOXDWDQUUQLIS-UHFFFAOYSA-N 2 1 292.467 3.592 20 0 CHADMP Cc1cc(N(C)C)[nH+]cc1Nc1ccc2cnccc2c1 ZINC001206737684 1131627484 /nfs/dbraw/zinc/62/74/84/1131627484.db2.gz UZNSTHCNPLJSGE-UHFFFAOYSA-N 2 1 278.359 3.748 20 0 CHADMP CCC[NH+](CCC)Cc1ccccc1-n1cc[nH+]c1C ZINC001140023560 1131657230 /nfs/dbraw/zinc/65/72/30/1131657230.db2.gz QPQVALZNOIDTSY-UHFFFAOYSA-N 2 1 271.408 3.803 20 0 CHADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@H](C)[C@@H](C)C2)CC[NH2+]1 ZINC001246577081 1131667065 /nfs/dbraw/zinc/66/70/65/1131667065.db2.gz VEKADWLTWPZCNZ-MWDXBVQZSA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)[N@@H+](Cc1cccc2cnccc21)C1CCN(C)CC1 ZINC001140145707 1131667558 /nfs/dbraw/zinc/66/75/58/1131667558.db2.gz PVBWIWAHIDZHPV-UHFFFAOYSA-N 2 1 297.446 3.539 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCCC[C@H]2C)cn1 ZINC000845927546 1131670661 /nfs/dbraw/zinc/67/06/61/1131670661.db2.gz JXTQXXQFJAVNTI-PBHICJAKSA-N 2 1 298.434 3.634 20 0 CHADMP CCCCC(CCCC)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246580437 1131676748 /nfs/dbraw/zinc/67/67/48/1131676748.db2.gz MTXBCOCIQCLPAO-MRXNPFEDSA-N 2 1 272.452 3.888 20 0 CHADMP CCCCC(CCCC)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246580437 1131676751 /nfs/dbraw/zinc/67/67/51/1131676751.db2.gz MTXBCOCIQCLPAO-MRXNPFEDSA-N 2 1 272.452 3.888 20 0 CHADMP COc1ccccc1[C@H]1CCCC[N@H+]1CCCCCC[NH3+] ZINC000846218836 1131700848 /nfs/dbraw/zinc/70/08/48/1131700848.db2.gz YKDKXMPAWVYVSB-QGZVFWFLSA-N 2 1 290.451 3.741 20 0 CHADMP C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CCCCCC[NH3+])C1 ZINC000846219017 1131700936 /nfs/dbraw/zinc/70/09/36/1131700936.db2.gz CTQUWGRAYIWTQT-WMLDXEAASA-N 2 1 278.415 3.728 20 0 CHADMP CCCCCC[C@@H](C)[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246587999 1131702172 /nfs/dbraw/zinc/70/21/72/1131702172.db2.gz XLMBUZHIQZBDBR-CVEARBPZSA-N 2 1 254.462 3.796 20 0 CHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCCC(C)(C)CC1 ZINC001203031239 1131710652 /nfs/dbraw/zinc/71/06/52/1131710652.db2.gz DGQACZQVHZMILD-INIZCTEOSA-N 2 1 268.489 3.913 20 0 CHADMP CSC(C)(C)C[C@@H](C)[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001246605972 1131715787 /nfs/dbraw/zinc/71/57/87/1131715787.db2.gz LOQYDEIZALUVJC-ZBFHGGJFSA-N 2 1 284.513 3.515 20 0 CHADMP C1CCCC([N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CC1 ZINC001246612307 1131717236 /nfs/dbraw/zinc/71/72/36/1131717236.db2.gz VOZGRODSJRJKTD-SFHVURJKSA-N 2 1 278.484 3.955 20 0 CHADMP CCCCCC[C@H](CCC)[N@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001246610676 1131718619 /nfs/dbraw/zinc/71/86/19/1131718619.db2.gz NLBASFKGECOWQF-IRXDYDNUSA-N 2 1 266.473 3.953 20 0 CHADMP CC(C)(C)C1CCC([N@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001246639142 1131759364 /nfs/dbraw/zinc/75/93/64/1131759364.db2.gz NKOMOMOYKWAQNK-UHFFFAOYSA-N 2 1 278.484 3.667 20 0 CHADMP CCCCC[C@H](CCC)[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246643510 1131767215 /nfs/dbraw/zinc/76/72/15/1131767215.db2.gz NNUDWGDIMUHJJT-DLBZAZTESA-N 2 1 266.473 3.953 20 0 CHADMP CC(C)(C)C1CCC([N@H+]2CCCC23CC[NH2+]CC3)CC1 ZINC001246652508 1131777711 /nfs/dbraw/zinc/77/77/11/1131777711.db2.gz HPFZKBZGDVLRTK-UHFFFAOYSA-N 2 1 278.484 3.809 20 0 CHADMP CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]3CCC[C@H]32)C[C@H](CC)[NH2+]1 ZINC001246819823 1131785577 /nfs/dbraw/zinc/78/55/77/1131785577.db2.gz KGOYGVFCENPQNR-ZOFXXKQRSA-N 2 1 264.457 3.560 20 0 CHADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]3CCC[C@H]32)C[C@H](CC)[NH2+]1 ZINC001246819823 1131785583 /nfs/dbraw/zinc/78/55/83/1131785583.db2.gz KGOYGVFCENPQNR-ZOFXXKQRSA-N 2 1 264.457 3.560 20 0 CHADMP C[N@@H+](CC1CCCCC1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246847279 1131788790 /nfs/dbraw/zinc/78/87/90/1131788790.db2.gz RTQHYWRZLVJFLT-JKSUJKDBSA-N 2 1 266.473 3.665 20 0 CHADMP CCCCCC1CCC([N@H+]2CC[C@H](C[NH2+]C)C2)CC1 ZINC001246864905 1131793396 /nfs/dbraw/zinc/79/33/96/1131793396.db2.gz QDOZICXTQFYNHT-AQFXKWCLSA-N 2 1 266.473 3.667 20 0 CHADMP CC[NH+](CC)C1CC[NH+](Cc2cccc3ccncc32)CC1 ZINC001140644959 1131843520 /nfs/dbraw/zinc/84/35/20/1131843520.db2.gz HXZUUZGQMIMGSK-UHFFFAOYSA-N 2 1 297.446 3.541 20 0 CHADMP c1[nH]c2ccncc2c1C[N@H+]1CCCc2ccccc2C1 ZINC001140806425 1131930302 /nfs/dbraw/zinc/93/03/02/1131930302.db2.gz GXEDFZXBQJBBKT-UHFFFAOYSA-N 2 1 277.371 3.511 20 0 CHADMP c1nc2cc[nH]cc-2c1C[N@@H+]1CCCc2ccccc2C1 ZINC001140806425 1131930309 /nfs/dbraw/zinc/93/03/09/1131930309.db2.gz GXEDFZXBQJBBKT-UHFFFAOYSA-N 2 1 277.371 3.511 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCCc2ccccc2C1 ZINC001140806425 1131930323 /nfs/dbraw/zinc/93/03/23/1131930323.db2.gz GXEDFZXBQJBBKT-UHFFFAOYSA-N 2 1 277.371 3.511 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCCc2ccccc2C1 ZINC001140806425 1131930329 /nfs/dbraw/zinc/93/03/29/1131930329.db2.gz GXEDFZXBQJBBKT-UHFFFAOYSA-N 2 1 277.371 3.511 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@@H](CC)c2ccccc2OC)CC1 ZINC000036995033 1131987259 /nfs/dbraw/zinc/98/72/59/1131987259.db2.gz MYWYAQQAGHKHBJ-KRWDZBQOSA-N 2 1 290.451 3.610 20 0 CHADMP C1=C(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCC1 ZINC000716639561 1132028817 /nfs/dbraw/zinc/02/88/17/1132028817.db2.gz TZWBSRLMPSBRIL-ZCNNSNEGSA-N 2 1 296.458 3.739 20 0 CHADMP CC[C@@H]1CCC[N@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171636469 1132079122 /nfs/dbraw/zinc/07/91/22/1132079122.db2.gz FIGPXZHIKLLLSY-CYBMUJFWSA-N 2 1 252.446 3.512 20 0 CHADMP CC(C)(C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171964663 1132112999 /nfs/dbraw/zinc/11/29/99/1132112999.db2.gz MBYGYLKKBIAONK-MRXNPFEDSA-N 2 1 274.452 3.818 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206154501 1132120812 /nfs/dbraw/zinc/12/08/12/1132120812.db2.gz JOPLKRYSZGHPQG-ARFHVFGLSA-N 2 1 270.436 3.520 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206154501 1132120816 /nfs/dbraw/zinc/12/08/16/1132120816.db2.gz JOPLKRYSZGHPQG-ARFHVFGLSA-N 2 1 270.436 3.520 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1Cc3cccc(Cl)c3C1)C2 ZINC001172127971 1132127327 /nfs/dbraw/zinc/12/73/27/1132127327.db2.gz MKSSUFKQJVUMFJ-QDMKHBRRSA-N 2 1 290.838 3.671 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1Cc3cccc(Cl)c3C1)C2 ZINC001172127971 1132127329 /nfs/dbraw/zinc/12/73/29/1132127329.db2.gz MKSSUFKQJVUMFJ-QDMKHBRRSA-N 2 1 290.838 3.671 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1Cc3cccc(Cl)c3C1)C2 ZINC001172127971 1132127331 /nfs/dbraw/zinc/12/73/31/1132127331.db2.gz MKSSUFKQJVUMFJ-QDMKHBRRSA-N 2 1 290.838 3.671 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1Cc3cccc(Cl)c3C1)C2 ZINC001172127971 1132127332 /nfs/dbraw/zinc/12/73/32/1132127332.db2.gz MKSSUFKQJVUMFJ-QDMKHBRRSA-N 2 1 290.838 3.671 20 0 CHADMP CC[N@@H+](Cc1cccs1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129282 1132127406 /nfs/dbraw/zinc/12/74/06/1132127406.db2.gz XYNFAXJZDZGYRQ-QDMKHBRRSA-N 2 1 278.465 3.585 20 0 CHADMP CC[NH+](Cc1cccs1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172129282 1132127407 /nfs/dbraw/zinc/12/74/07/1132127407.db2.gz XYNFAXJZDZGYRQ-QDMKHBRRSA-N 2 1 278.465 3.585 20 0 CHADMP CC[NH+](Cc1cccs1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172129282 1132127410 /nfs/dbraw/zinc/12/74/10/1132127410.db2.gz XYNFAXJZDZGYRQ-QDMKHBRRSA-N 2 1 278.465 3.585 20 0 CHADMP C[N@H+]([C@@H]1CCc2ccccc21)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172133599 1132128371 /nfs/dbraw/zinc/12/83/71/1132128371.db2.gz TZWRLXRMGVUOTB-SFNKJDCFSA-N 2 1 284.447 3.621 20 0 CHADMP C[N@@H+]([C@@H]1CCc2ccccc21)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172133599 1132128374 /nfs/dbraw/zinc/12/83/74/1132128374.db2.gz TZWRLXRMGVUOTB-SFNKJDCFSA-N 2 1 284.447 3.621 20 0 CHADMP C[NH+]([C@@H]1CCc2ccccc21)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172133599 1132128375 /nfs/dbraw/zinc/12/83/75/1132128375.db2.gz TZWRLXRMGVUOTB-SFNKJDCFSA-N 2 1 284.447 3.621 20 0 CHADMP C[NH+]([C@@H]1CCc2ccccc21)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172133599 1132128379 /nfs/dbraw/zinc/12/83/79/1132128379.db2.gz TZWRLXRMGVUOTB-SFNKJDCFSA-N 2 1 284.447 3.621 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC(C)(C)c1ccccc1)C2 ZINC001172103588 1132129289 /nfs/dbraw/zinc/12/92/89/1132129289.db2.gz WCTUIKGOEYXCMY-NNZMDNLPSA-N 2 1 286.463 3.569 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCC1CCCCC1)C2 ZINC001172112854 1132132161 /nfs/dbraw/zinc/13/21/61/1132132161.db2.gz AQSJXVASVBRAHX-BCDXTJNWSA-N 2 1 278.484 3.952 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1F ZINC001172111838 1132134301 /nfs/dbraw/zinc/13/43/01/1132134301.db2.gz WUIQQAHVDAWJOL-QSPRXWTASA-N 2 1 290.426 3.800 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1F ZINC001172111838 1132134304 /nfs/dbraw/zinc/13/43/04/1132134304.db2.gz WUIQQAHVDAWJOL-QSPRXWTASA-N 2 1 290.426 3.800 20 0 CHADMP CC(C)c1ccccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000839029578 1132169190 /nfs/dbraw/zinc/16/91/90/1132169190.db2.gz HCLRJKMESGKSCU-UHFFFAOYSA-N 2 1 272.436 3.526 20 0 CHADMP CC[C@H](C)OCC[C@@H](C)[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001172342989 1132178486 /nfs/dbraw/zinc/17/84/86/1132178486.db2.gz PGGAMKRRBQFQHQ-SJORKVTESA-N 2 1 298.515 3.632 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H]1C ZINC001172367089 1132192855 /nfs/dbraw/zinc/19/28/55/1132192855.db2.gz FIMUSRPDBIQGNQ-LTIDMASMSA-N 2 1 278.484 3.808 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H]1C ZINC001172367089 1132192859 /nfs/dbraw/zinc/19/28/59/1132192859.db2.gz FIMUSRPDBIQGNQ-LTIDMASMSA-N 2 1 278.484 3.808 20 0 CHADMP CC[C@@H](CC(C)C)[N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172398502 1132221180 /nfs/dbraw/zinc/22/11/80/1132221180.db2.gz HCJJUQFZCBEFOX-ULQDDVLXSA-N 2 1 296.499 3.562 20 0 CHADMP c1ccc([C@@H]2CCC[C@@H]([NH+]3CCC([NH+]4CCC4)CC3)C2)cc1 ZINC001172548705 1132282900 /nfs/dbraw/zinc/28/29/00/1132282900.db2.gz JHDGSACRPNRVHP-UYAOXDASSA-N 2 1 298.474 3.883 20 0 CHADMP Cc1cc(C)c(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1C ZINC001231485161 1132301487 /nfs/dbraw/zinc/30/14/87/1132301487.db2.gz HNIVPDSPBBNWPU-UHFFFAOYSA-N 2 1 286.463 3.530 20 0 CHADMP CC[N@H+](C)C1CC[NH+](Cc2cc(C)c(C)cc2C)CC1 ZINC001231486109 1132301768 /nfs/dbraw/zinc/30/17/68/1132301768.db2.gz SQUXWXQCMLSOJO-UHFFFAOYSA-N 2 1 274.452 3.528 20 0 CHADMP CC[N@@H+](C)C1CC[NH+](Cc2cc(C)c(C)cc2C)CC1 ZINC001231486109 1132301776 /nfs/dbraw/zinc/30/17/76/1132301776.db2.gz SQUXWXQCMLSOJO-UHFFFAOYSA-N 2 1 274.452 3.528 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCCCC[C@@H]2C)CC1 ZINC001173112689 1132393571 /nfs/dbraw/zinc/39/35/71/1132393571.db2.gz ZRCGOUWDUAZWIZ-GTPINHCMSA-N 2 1 266.473 3.904 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](C)C[C@H]2C)CC1 ZINC001173114436 1132395030 /nfs/dbraw/zinc/39/50/30/1132395030.db2.gz KCBUJRAKFLQPOX-NUWOQIAWSA-N 2 1 266.473 3.760 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H](C(F)F)C2)CC1 ZINC001173115095 1132395559 /nfs/dbraw/zinc/39/55/59/1132395559.db2.gz WNLCFCDFBZDRDP-NFOMZHRRSA-N 2 1 288.426 3.617 20 0 CHADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](C1CCC3(CCCCC3)CC1)C2 ZINC001173120129 1132399432 /nfs/dbraw/zinc/39/94/32/1132399432.db2.gz DINSZGQOBINMPC-VQIMIIECSA-N 2 1 290.495 3.763 20 0 CHADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC001232014346 1132410080 /nfs/dbraw/zinc/41/00/80/1132410080.db2.gz OERAMVKYXFVLOT-GUYCJALGSA-N 2 1 269.392 3.718 20 0 CHADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001232013893 1132411616 /nfs/dbraw/zinc/41/16/16/1132411616.db2.gz HQQNNUWPLHIIIO-MRXNPFEDSA-N 2 1 291.398 3.628 20 0 CHADMP CCc1ccc(C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)cc1 ZINC001173235055 1132414164 /nfs/dbraw/zinc/41/41/64/1132414164.db2.gz HQJKXQMSZPLJDA-SNRMKQJTSA-N 2 1 288.479 3.642 20 0 CHADMP CCCC[C@@H](CC(C)C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001173248055 1132419006 /nfs/dbraw/zinc/41/90/06/1132419006.db2.gz BMJKQHQAOUCZOW-HOTGVXAUSA-N 2 1 254.462 3.523 20 0 CHADMP CCCC[C@H](CC(C)C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001173256787 1132425388 /nfs/dbraw/zinc/42/53/88/1132425388.db2.gz URSVCOGYLIKOCG-QGZVFWFLSA-N 2 1 268.489 3.865 20 0 CHADMP C[C@H]1CCCC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232143885 1132428310 /nfs/dbraw/zinc/42/83/10/1132428310.db2.gz DJYOXTGIFLMSTE-AWEZNQCLSA-N 2 1 278.415 3.509 20 0 CHADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)CCCCCCC[NH3+] ZINC000842471634 1132433613 /nfs/dbraw/zinc/43/36/13/1132433613.db2.gz NNKBGUSJRUBGKK-CQSZACIVSA-N 2 1 266.404 3.728 20 0 CHADMP CC[C@@H]1CC[C@H]([N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)C1 ZINC001173296679 1132443925 /nfs/dbraw/zinc/44/39/25/1132443925.db2.gz VPWFVTBBTNHOJJ-XDNAFOTISA-N 2 1 278.484 3.904 20 0 CHADMP CC[C@@H]1CC[C@H]([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)C1 ZINC001173296679 1132443929 /nfs/dbraw/zinc/44/39/29/1132443929.db2.gz VPWFVTBBTNHOJJ-XDNAFOTISA-N 2 1 278.484 3.904 20 0 CHADMP CC[C@@H]1CC[C@H]([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)C1 ZINC001173296679 1132443933 /nfs/dbraw/zinc/44/39/33/1132443933.db2.gz VPWFVTBBTNHOJJ-XDNAFOTISA-N 2 1 278.484 3.904 20 0 CHADMP CCSC[C@@H](C)[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173299244 1132447172 /nfs/dbraw/zinc/44/71/72/1132447172.db2.gz SYJURXUGPPSDNE-IIAWOOMASA-N 2 1 284.513 3.643 20 0 CHADMP CC[C@@H]1CC[C@H]([N@@H+](C)CC2CC[NH+](C(C)C)CC2)C1 ZINC001173277979 1132453083 /nfs/dbraw/zinc/45/30/83/1132453083.db2.gz GWLWPUDRCQXGSE-WBVHZDCISA-N 2 1 266.473 3.617 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H]2CC[C@H](CC)C2)CC1 ZINC001173281613 1132453881 /nfs/dbraw/zinc/45/38/81/1132453881.db2.gz AHPRVGCVNSUKQF-DOTOQJQBSA-N 2 1 266.473 3.761 20 0 CHADMP CC[C@@H]1CC[C@H](N(c2[nH+]cccc2C)C2CC[NH2+]CC2)C1 ZINC001173282014 1132454548 /nfs/dbraw/zinc/45/45/48/1132454548.db2.gz CIVGYXDWPLSBSK-WBVHZDCISA-N 2 1 287.451 3.527 20 0 CHADMP CCc1cccc(Cl)c1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843055109 1132494173 /nfs/dbraw/zinc/49/41/73/1132494173.db2.gz RHECAMJHTCDKAH-UHFFFAOYSA-N 2 1 280.843 3.604 20 0 CHADMP C[N@@H+](Cc1csc(Cl)c1Cl)C1CCC([NH3+])CC1 ZINC000843054837 1132495101 /nfs/dbraw/zinc/49/51/01/1132495101.db2.gz KAKUWHIEAATTAZ-UHFFFAOYSA-N 2 1 293.263 3.757 20 0 CHADMP Clc1csc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000843126073 1132496907 /nfs/dbraw/zinc/49/69/07/1132496907.db2.gz FSSNXQZKITZOMV-OLZOCXBDSA-N 2 1 298.883 3.613 20 0 CHADMP CC(C)c1[nH+]ccn1Cc1cccc(Nc2cc[nH+]cc2)c1 ZINC001173883550 1132623061 /nfs/dbraw/zinc/62/30/61/1132623061.db2.gz MJJMSEBAQXSCMF-UHFFFAOYSA-N 2 1 292.386 3.615 20 0 CHADMP Cc1cc[nH+]c(C)c1Nc1ccc(C2CC[NH2+]CC2)cc1 ZINC001159203401 1132815486 /nfs/dbraw/zinc/81/54/86/1132815486.db2.gz BYEWHEYOWJUGEU-UHFFFAOYSA-N 2 1 281.403 3.909 20 0 CHADMP Cc1cn2cc(Nc3ccc([C@@H]4CCC[NH2+]4)cc3)ccc2[nH+]1 ZINC001159265943 1132821965 /nfs/dbraw/zinc/82/19/65/1132821965.db2.gz JQJJPMJBYLPTQW-KRWDZBQOSA-N 2 1 292.386 3.811 20 0 CHADMP CC[NH+](CC)c1ccc(Nc2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001159426827 1132842002 /nfs/dbraw/zinc/84/20/02/1132842002.db2.gz NFSIBJMHQJIYNB-UHFFFAOYSA-N 2 1 295.430 3.922 20 0 CHADMP Cc1[nH+]c2ccc(N[C@H]3CCC[C@@H]([NH3+])C3)cc2n1C(C)C ZINC001162401194 1133075404 /nfs/dbraw/zinc/07/54/04/1133075404.db2.gz KALWVNFLEAIPJP-KGLIPLIRSA-N 2 1 286.423 3.607 20 0 CHADMP C[N@H+]1CCCC[C@H]1c1ccc(NC(=[NH2+])C(C)(C)C)nc1 ZINC001162660868 1133101487 /nfs/dbraw/zinc/10/14/87/1133101487.db2.gz OUXRNDMZCLHZAX-ZDUSSCGKSA-N 2 1 274.412 3.674 20 0 CHADMP Cc1ccc2c(C)cc(N3C[C@H](C[NH3+])CC[C@@H]3C)[nH+]c2c1C ZINC001164473856 1133221042 /nfs/dbraw/zinc/22/10/42/1133221042.db2.gz KCLRGAGFAOCMEZ-HOCLYGCPSA-N 2 1 297.446 3.724 20 0 CHADMP Cc1ccc2c(C)cc(N3C[C@@H](C[NH3+])CC[C@H]3C)[nH+]c2c1C ZINC001164473854 1133221881 /nfs/dbraw/zinc/22/18/81/1133221881.db2.gz KCLRGAGFAOCMEZ-GDBMZVCRSA-N 2 1 297.446 3.724 20 0 CHADMP Cc1ccc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c(C)c1 ZINC001203736732 1133362003 /nfs/dbraw/zinc/36/20/03/1133362003.db2.gz XBWWILZUKZEFAJ-UHFFFAOYSA-N 2 1 288.479 3.856 20 0 CHADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C(C)C)cc3)C[C@@H]2C1 ZINC001204167836 1133413339 /nfs/dbraw/zinc/41/33/39/1133413339.db2.gz CKQZQQRLHHDWAB-KDURUIRLSA-N 2 1 286.463 3.584 20 0 CHADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C(C)C)cc3)C[C@@H]2C1 ZINC001204167836 1133413343 /nfs/dbraw/zinc/41/33/43/1133413343.db2.gz CKQZQQRLHHDWAB-KDURUIRLSA-N 2 1 286.463 3.584 20 0 CHADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C(C)C)cc3)C[C@@H]2C1 ZINC001204167836 1133413345 /nfs/dbraw/zinc/41/33/45/1133413345.db2.gz CKQZQQRLHHDWAB-KDURUIRLSA-N 2 1 286.463 3.584 20 0 CHADMP CCCCCCc1ccc(C[NH+]2CCC([NH3+])CC2)s1 ZINC001204645916 1133471380 /nfs/dbraw/zinc/47/13/80/1133471380.db2.gz AWDFXOGEJCBYOI-UHFFFAOYSA-N 2 1 280.481 3.794 20 0 CHADMP Cc1cccc(Cl)c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735360 1133479430 /nfs/dbraw/zinc/47/94/30/1133479430.db2.gz QPYDTPIURCQHCT-UHFFFAOYSA-N 2 1 292.854 3.614 20 0 CHADMP Cc1c(Cl)cccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204743025 1133481066 /nfs/dbraw/zinc/48/10/66/1133481066.db2.gz XPTXJETWGMKMBM-UHFFFAOYSA-N 2 1 292.854 3.614 20 0 CHADMP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1cccc2c3ccccc3oc21 ZINC001204925529 1133501489 /nfs/dbraw/zinc/50/14/89/1133501489.db2.gz ULOJXSIVWGLHIS-OAHLLOKOSA-N 2 1 294.398 3.899 20 0 CHADMP [NH3+]C[C@H]1CCCC[N@H+]1Cc1cccc2c3ccccc3oc21 ZINC001204925529 1133501495 /nfs/dbraw/zinc/50/14/95/1133501495.db2.gz ULOJXSIVWGLHIS-OAHLLOKOSA-N 2 1 294.398 3.899 20 0 CHADMP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001204940673 1133504729 /nfs/dbraw/zinc/50/47/29/1133504729.db2.gz ZXKPGGMAQITOHV-IBGZPJMESA-N 2 1 298.405 3.806 20 0 CHADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001204940673 1133504734 /nfs/dbraw/zinc/50/47/34/1133504734.db2.gz ZXKPGGMAQITOHV-IBGZPJMESA-N 2 1 298.405 3.806 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)cc1 ZINC001205016758 1133517539 /nfs/dbraw/zinc/51/75/39/1133517539.db2.gz KBNACVRTKVRYAD-QGZVFWFLSA-N 2 1 288.479 3.806 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cccc(-c2ccccc2)c1 ZINC001205075738 1133524601 /nfs/dbraw/zinc/52/46/01/1133524601.db2.gz LERGRXKFUVJOMA-KXBFYZLASA-N 2 1 280.415 3.665 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cccc(-c2ccccc2)c1 ZINC001205075738 1133524604 /nfs/dbraw/zinc/52/46/04/1133524604.db2.gz LERGRXKFUVJOMA-KXBFYZLASA-N 2 1 280.415 3.665 20 0 CHADMP Cc1cccc(-c2ccc(C[N@@H+]3[C@@H](C)CC[C@H]3C[NH3+])cc2)c1 ZINC001205083653 1133525785 /nfs/dbraw/zinc/52/57/85/1133525785.db2.gz XTWSEJVUWHZNIG-JXFKEZNVSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3[C@@H](C)CC[C@H]3C[NH3+])cc2)c1 ZINC001205083653 1133525790 /nfs/dbraw/zinc/52/57/90/1133525790.db2.gz XTWSEJVUWHZNIG-JXFKEZNVSA-N 2 1 294.442 3.974 20 0 CHADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205093894 1133527584 /nfs/dbraw/zinc/52/75/84/1133527584.db2.gz HMVDFYCDBRKKCC-APWZRJJASA-N 2 1 288.479 3.802 20 0 CHADMP Cc1ccc(-c2cccc(C[N@@H+]3C[C@H](C)[C@H](C[NH3+])C3)c2)cc1 ZINC001205151141 1133537148 /nfs/dbraw/zinc/53/71/48/1133537148.db2.gz QGWFFIRAVXPEOG-OXJNMPFZSA-N 2 1 294.442 3.689 20 0 CHADMP [NH3+]Cc1cccc(C[N@H+]2CCCC[C@H]2c2ccccc2)c1 ZINC001205170843 1133540270 /nfs/dbraw/zinc/54/02/70/1133540270.db2.gz GGDPPJXIMHAZHI-IBGZPJMESA-N 2 1 280.415 3.873 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205263864 1133551483 /nfs/dbraw/zinc/55/14/83/1133551483.db2.gz DFTWBLDLKQGKHQ-KRWDZBQOSA-N 2 1 288.460 3.913 20 0 CHADMP C[NH+]1CCC2(CCC[N@H+]2C[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC001205411850 1133574592 /nfs/dbraw/zinc/57/45/92/1133574592.db2.gz QJDGDCYUANAHJF-RTBURBONSA-N 2 1 298.474 3.740 20 0 CHADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H]1CCCC(C)(C)C1 ZINC001205535085 1133585986 /nfs/dbraw/zinc/58/59/86/1133585986.db2.gz CXJRQIGAKOQHAV-INIZCTEOSA-N 2 1 266.473 3.621 20 0 CHADMP CC1(C[NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CCCC1 ZINC001205555115 1133587365 /nfs/dbraw/zinc/58/73/65/1133587365.db2.gz PGVNIQQGMKFXBB-QGZVFWFLSA-N 2 1 278.484 3.953 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205629477 1133596950 /nfs/dbraw/zinc/59/69/50/1133596950.db2.gz ZCBDKFODLWJIRH-QAPCUYQASA-N 2 1 296.458 3.955 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)CC[C@H]1C[NH3+] ZINC001205639175 1133597390 /nfs/dbraw/zinc/59/73/90/1133597390.db2.gz WYKNWJHCXXXZMY-WBVHZDCISA-N 2 1 298.430 3.753 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2cccc3sccc32)CC[C@@H]1C[NH3+] ZINC001205651200 1133599256 /nfs/dbraw/zinc/59/92/56/1133599256.db2.gz AZXXCPDUVBABEN-ZIAGYGMSSA-N 2 1 288.460 3.708 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2ccc(F)c(C3CC3)c2)CC[C@@H]1C[NH3+] ZINC001205655177 1133599416 /nfs/dbraw/zinc/59/94/16/1133599416.db2.gz YXUAGNWVFAZVLD-XJKSGUPXSA-N 2 1 290.426 3.510 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2ccc(C3CCC3)cc2)CC[C@@H]1C[NH3+] ZINC001205651218 1133599818 /nfs/dbraw/zinc/59/98/18/1133599818.db2.gz BDPNUJFPQKZDNL-DNVCBOLYSA-N 2 1 286.463 3.761 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2 ZINC001205716841 1133605808 /nfs/dbraw/zinc/60/58/08/1133605808.db2.gz MKTHWFCGORQVSY-FHZKDXSVSA-N 2 1 278.484 3.665 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2 ZINC001205716841 1133605811 /nfs/dbraw/zinc/60/58/11/1133605811.db2.gz MKTHWFCGORQVSY-FHZKDXSVSA-N 2 1 278.484 3.665 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](CC)CC1 ZINC001205717594 1133605883 /nfs/dbraw/zinc/60/58/83/1133605883.db2.gz ROEOYDQXUPUDBE-IKGGRYGDSA-N 2 1 266.473 3.809 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](CC)CC1 ZINC001205717594 1133605887 /nfs/dbraw/zinc/60/58/87/1133605887.db2.gz ROEOYDQXUPUDBE-IKGGRYGDSA-N 2 1 266.473 3.809 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H](C)CC[C@H]3CN)cc2)o1 ZINC001205830489 1133620436 /nfs/dbraw/zinc/62/04/36/1133620436.db2.gz STSKLRABHYASGL-KDOFPFPSSA-N 2 1 298.430 3.814 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@H](C)CC[C@H]3CN)cc2)o1 ZINC001205830489 1133620437 /nfs/dbraw/zinc/62/04/37/1133620437.db2.gz STSKLRABHYASGL-KDOFPFPSSA-N 2 1 298.430 3.814 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H](C)CC[C@H]3C[NH3+])cc2)o1 ZINC001205830489 1133620439 /nfs/dbraw/zinc/62/04/39/1133620439.db2.gz STSKLRABHYASGL-KDOFPFPSSA-N 2 1 298.430 3.814 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@H](C)CC[C@H]3C[NH3+])cc2)o1 ZINC001205830489 1133620442 /nfs/dbraw/zinc/62/04/42/1133620442.db2.gz STSKLRABHYASGL-KDOFPFPSSA-N 2 1 298.430 3.814 20 0 CHADMP Cc1c(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)cccc1-c1ccccc1 ZINC001205889131 1133627612 /nfs/dbraw/zinc/62/76/12/1133627612.db2.gz UEIRQEXPEWAZJC-QRWLVFNGSA-N 2 1 294.442 3.831 20 0 CHADMP Cc1c(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)cccc1-c1ccccc1 ZINC001205889131 1133627614 /nfs/dbraw/zinc/62/76/14/1133627614.db2.gz UEIRQEXPEWAZJC-QRWLVFNGSA-N 2 1 294.442 3.831 20 0 CHADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC001205901484 1133628141 /nfs/dbraw/zinc/62/81/41/1133628141.db2.gz COPXMNWIPLKQDH-OXQOHEQNSA-N 2 1 294.442 3.913 20 0 CHADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205902992 1133628547 /nfs/dbraw/zinc/62/85/47/1133628547.db2.gz MHQRCIYDFDGVNN-BBWFWOEESA-N 2 1 298.515 3.667 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205902589 1133628978 /nfs/dbraw/zinc/62/89/78/1133628978.db2.gz KSIXHALIWPXQDF-UIZHIOIMSA-N 2 1 266.473 3.962 20 0 CHADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCC[C@H](C)C1 ZINC001205925462 1133631790 /nfs/dbraw/zinc/63/17/90/1133631790.db2.gz NQTKRROJMVWCIX-BBWFWOEESA-N 2 1 266.473 3.665 20 0 CHADMP [NH3+][C@H]1CCCC[N@H+](Cc2ccc(-c3cccs3)cc2)C1 ZINC001205930584 1133631835 /nfs/dbraw/zinc/63/18/35/1133631835.db2.gz AWUYZWMTMGLRCX-INIZCTEOSA-N 2 1 286.444 3.728 20 0 CHADMP [NH3+][C@H]1CCCC[N@@H+](Cc2ccc(-c3cccs3)cc2)C1 ZINC001205930584 1133631839 /nfs/dbraw/zinc/63/18/39/1133631839.db2.gz AWUYZWMTMGLRCX-INIZCTEOSA-N 2 1 286.444 3.728 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3CCCC[C@@H]([NH3+])C3)cc2)o1 ZINC001205931470 1133632961 /nfs/dbraw/zinc/63/29/61/1133632961.db2.gz JMGAKSVKGVASJU-QGZVFWFLSA-N 2 1 284.403 3.568 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CCCC[C@@H]([NH3+])C3)cc2)o1 ZINC001205931470 1133632962 /nfs/dbraw/zinc/63/29/62/1133632962.db2.gz JMGAKSVKGVASJU-QGZVFWFLSA-N 2 1 284.403 3.568 20 0 CHADMP [NH3+][C@H]1CCCC[N@H+](Cc2ccccc2-c2cccs2)C1 ZINC001205933177 1133633216 /nfs/dbraw/zinc/63/32/16/1133633216.db2.gz ZVHNAUVTLASLCZ-HNNXBMFYSA-N 2 1 286.444 3.728 20 0 CHADMP [NH3+][C@H]1CCCC[N@@H+](Cc2ccccc2-c2cccs2)C1 ZINC001205933177 1133633220 /nfs/dbraw/zinc/63/32/20/1133633220.db2.gz ZVHNAUVTLASLCZ-HNNXBMFYSA-N 2 1 286.444 3.728 20 0 CHADMP [NH3+][C@H]1CCCC[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001205930681 1133633322 /nfs/dbraw/zinc/63/33/22/1133633322.db2.gz CQZGRXNWXBLHNF-SFHVURJKSA-N 2 1 292.426 3.571 20 0 CHADMP [NH3+][C@H]1CCCC[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001205930681 1133633327 /nfs/dbraw/zinc/63/33/27/1133633327.db2.gz CQZGRXNWXBLHNF-SFHVURJKSA-N 2 1 292.426 3.571 20 0 CHADMP C[C@H]1CC[N@@H+](CCC[NH2+]C2CCCCC2)CCC1(F)F ZINC001205981714 1133637698 /nfs/dbraw/zinc/63/76/98/1133637698.db2.gz FWZNOGYKBYDKLZ-AWEZNQCLSA-N 2 1 288.426 3.666 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205985151 1133638105 /nfs/dbraw/zinc/63/81/05/1133638105.db2.gz WFJWIJRIIXJOMK-YESZJQIVSA-N 2 1 266.473 3.676 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2)CCC[C@@H]1C[NH3+] ZINC001205995991 1133639345 /nfs/dbraw/zinc/63/93/45/1133639345.db2.gz SWVKHYJHBLUXEC-DOTOQJQBSA-N 2 1 288.479 3.791 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccc(C3CCC3)cc2)CCC[C@H]1C[NH3+] ZINC001206025388 1133642907 /nfs/dbraw/zinc/64/29/07/1133642907.db2.gz NVHUPNCMCFBRQZ-BEFAXECRSA-N 2 1 286.463 3.761 20 0 CHADMP C[C@@H]1CC[N@H+](Cc2ccccc2-c2ccc(F)cc2)C[C@H]1[NH3+] ZINC001206043747 1133647783 /nfs/dbraw/zinc/64/77/83/1133647783.db2.gz VVDDGGFIWUDINW-AUUYWEPGSA-N 2 1 298.405 3.662 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc(F)cc2)C[C@H]1[NH3+] ZINC001206043747 1133647786 /nfs/dbraw/zinc/64/77/86/1133647786.db2.gz VVDDGGFIWUDINW-AUUYWEPGSA-N 2 1 298.405 3.662 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1ccccc1 ZINC001206085391 1133654864 /nfs/dbraw/zinc/65/48/64/1133654864.db2.gz WDVLVDVQDWLAQN-IRXDYDNUSA-N 2 1 276.468 3.718 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1ccccc1 ZINC001206085391 1133654865 /nfs/dbraw/zinc/65/48/65/1133654865.db2.gz WDVLVDVQDWLAQN-IRXDYDNUSA-N 2 1 276.468 3.718 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+]CCc1cc(C)cc(C)c1 ZINC001206128196 1133661136 /nfs/dbraw/zinc/66/11/36/1133661136.db2.gz SEQHCOONWUABBJ-KRWDZBQOSA-N 2 1 276.468 3.556 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]CCc1cc(C)cc(C)c1 ZINC001206128196 1133661140 /nfs/dbraw/zinc/66/11/40/1133661140.db2.gz SEQHCOONWUABBJ-KRWDZBQOSA-N 2 1 276.468 3.556 20 0 CHADMP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccccc3)cc2)CC[C@H]1F ZINC001206164235 1133666278 /nfs/dbraw/zinc/66/62/78/1133666278.db2.gz JTSGQDLFFPCPRW-MOPGFXCFSA-N 2 1 298.405 3.615 20 0 CHADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)CC[C@H]1F ZINC001206164235 1133666280 /nfs/dbraw/zinc/66/62/80/1133666280.db2.gz JTSGQDLFFPCPRW-MOPGFXCFSA-N 2 1 298.405 3.615 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(C)c1 ZINC001206295637 1133685057 /nfs/dbraw/zinc/68/50/57/1133685057.db2.gz MOUGSTWCIHEJKB-SFHVURJKSA-N 2 1 274.452 3.563 20 0 CHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2coc3ccc(F)cc23)CC1 ZINC001206311017 1133687633 /nfs/dbraw/zinc/68/76/33/1133687633.db2.gz GICWFMFGRDCIEA-QGZVFWFLSA-N 2 1 290.382 3.523 20 0 CHADMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206310938 1133687802 /nfs/dbraw/zinc/68/78/02/1133687802.db2.gz FVUHIFDFMCLHFA-IBGZPJMESA-N 2 1 288.479 3.935 20 0 CHADMP Cc1ccc(Cl)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206325807 1133689946 /nfs/dbraw/zinc/68/99/46/1133689946.db2.gz KFWSROIZTUQBQP-MRXNPFEDSA-N 2 1 280.843 3.599 20 0 CHADMP CCC[NH+](CCC)c1ccc(N[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001206523331 1133714601 /nfs/dbraw/zinc/71/46/01/1133714601.db2.gz JUQMLPFOTZGMNJ-QGZVFWFLSA-N 2 1 289.467 3.819 20 0 CHADMP CC(C)(CC[N@H+]1CCCC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC001206541818 1133715787 /nfs/dbraw/zinc/71/57/87/1133715787.db2.gz KVFXHSNCRZBAPQ-LJQANCHMSA-N 2 1 288.479 3.805 20 0 CHADMP CC1=CC[C@@H](CC[N@H+]2CCCC[C@](C)(C[NH3+])C2)C1(C)C ZINC001206542009 1133716107 /nfs/dbraw/zinc/71/61/07/1133716107.db2.gz PCTFTCMVZJMCNY-FUHWJXTLSA-N 2 1 278.484 3.820 20 0 CHADMP Cc1ccc([C@@H](C)CC[N@H+]2CCCC[C@](C)(C[NH3+])C2)o1 ZINC001206542250 1133716139 /nfs/dbraw/zinc/71/61/39/1133716139.db2.gz WFGZNSQTOOMFRA-WMLDXEAASA-N 2 1 278.440 3.533 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206542335 1133716166 /nfs/dbraw/zinc/71/61/66/1133716166.db2.gz YNQCGMIIOBZRJG-DLBZAZTESA-N 2 1 266.473 3.820 20 0 CHADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC001206554567 1133717272 /nfs/dbraw/zinc/71/72/72/1133717272.db2.gz FNVFQSHIHNMCIL-MRXNPFEDSA-N 2 1 282.378 3.575 20 0 CHADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2coc3ccc(F)cc23)C1 ZINC001206555367 1133717336 /nfs/dbraw/zinc/71/73/36/1133717336.db2.gz JVUHGIGKKVJRHZ-QGZVFWFLSA-N 2 1 290.382 3.523 20 0 CHADMP Cc1ccc(Cl)cc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206563491 1133718112 /nfs/dbraw/zinc/71/81/12/1133718112.db2.gz DSGADALCDXTLFO-MRXNPFEDSA-N 2 1 280.843 3.599 20 0 CHADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc3sccc32)C1 ZINC001206572052 1133719301 /nfs/dbraw/zinc/71/93/01/1133719301.db2.gz ADFJYIOKJHKSHM-KRWDZBQOSA-N 2 1 288.460 3.852 20 0 CHADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc3cccccc2-3)C1 ZINC001206572849 1133720617 /nfs/dbraw/zinc/72/06/17/1133720617.db2.gz GBQYJLOKOFBUSE-LJQANCHMSA-N 2 1 282.431 3.742 20 0 CHADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(F)c(C3CC3)c2)C1 ZINC001206575357 1133720694 /nfs/dbraw/zinc/72/06/94/1133720694.db2.gz WHNKGSOUZISAGD-SFHVURJKSA-N 2 1 290.426 3.654 20 0 CHADMP CC(C)[N@H+](Cc1cc(Cl)ccc1F)[C@H]1CCC[NH2+]CC1 ZINC001206582579 1133722423 /nfs/dbraw/zinc/72/24/23/1133722423.db2.gz OCTWHADOMNJAQC-HNNXBMFYSA-N 2 1 298.833 3.832 20 0 CHADMP CC(C)[N@@H+](Cc1cc(Cl)ccc1F)[C@H]1CCC[NH2+]CC1 ZINC001206582579 1133722429 /nfs/dbraw/zinc/72/24/29/1133722429.db2.gz OCTWHADOMNJAQC-HNNXBMFYSA-N 2 1 298.833 3.832 20 0 CHADMP Cc1c2ccccc2[nH]c1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206591651 1133724204 /nfs/dbraw/zinc/72/42/04/1133724204.db2.gz URWOMQBCWFZACM-INIZCTEOSA-N 2 1 299.462 3.829 20 0 CHADMP Cc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c2ccccc12 ZINC001206616062 1133728190 /nfs/dbraw/zinc/72/81/90/1133728190.db2.gz NBLREORSZCOOJZ-INIZCTEOSA-N 2 1 282.431 3.709 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206771445 1133746941 /nfs/dbraw/zinc/74/69/41/1133746941.db2.gz WTRFQJQGQZNZIK-GXTWGEPZSA-N 2 1 288.460 3.769 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CC2(CCC2)C1 ZINC001207101036 1133766908 /nfs/dbraw/zinc/76/69/08/1133766908.db2.gz FKSIGUULBUKSJF-SJLPKXTDSA-N 2 1 298.474 3.677 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC001207282881 1133786757 /nfs/dbraw/zinc/78/67/57/1133786757.db2.gz QICBEXATYGUKIB-SFHVURJKSA-N 2 1 288.479 3.844 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001207282874 1133787933 /nfs/dbraw/zinc/78/79/33/1133787933.db2.gz QHHRFEHKTWLBKH-HNNXBMFYSA-N 2 1 294.870 3.717 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001207282874 1133787937 /nfs/dbraw/zinc/78/79/37/1133787937.db2.gz QHHRFEHKTWLBKH-HNNXBMFYSA-N 2 1 294.870 3.717 20 0 CHADMP CC[C@@H]1CCC[N@H+]1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207290422 1133788099 /nfs/dbraw/zinc/78/80/99/1133788099.db2.gz BRKZVWDDTODGEL-LJQANCHMSA-N 2 1 286.463 3.773 20 0 CHADMP CCC[N@@H+](CC)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207286907 1133788210 /nfs/dbraw/zinc/78/82/10/1133788210.db2.gz PDGDYLURDWREEE-UHFFFAOYSA-N 2 1 274.452 3.631 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@@H+]2CC(C)(C)C[NH+](C)C)cc1 ZINC001207287192 1133788314 /nfs/dbraw/zinc/78/83/14/1133788314.db2.gz ZCTFBHXGQCUQPE-KRWDZBQOSA-N 2 1 274.452 3.720 20 0 CHADMP CC[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC001207286987 1133788773 /nfs/dbraw/zinc/78/87/73/1133788773.db2.gz QAXSRRXEVNRFIM-UHFFFAOYSA-N 2 1 274.452 3.629 20 0 CHADMP C[N@@H+](CCC1CC[NH+](C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC001207485030 1133805682 /nfs/dbraw/zinc/80/56/82/1133805682.db2.gz QGOVECTWRXFLNT-UHFFFAOYSA-N 2 1 290.495 3.619 20 0 CHADMP CC[N@@H+](C)C1CC[NH+](CCCC2CCCCC2)CC1 ZINC001207608163 1133830743 /nfs/dbraw/zinc/83/07/43/1133830743.db2.gz IDJNGOONPXQSJH-UHFFFAOYSA-N 2 1 266.473 3.763 20 0 CHADMP CC[C@@H]1CCCC[C@H]1C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC001207738558 1133843828 /nfs/dbraw/zinc/84/38/28/1133843828.db2.gz CYNWUIOHHWYATP-CVEARBPZSA-N 2 1 268.489 3.722 20 0 CHADMP CC1=C[C@H](C)[C@H](C[NH+]2CCC([N@@H+](C)C3CC3)CC2)CC1 ZINC001208181396 1133900351 /nfs/dbraw/zinc/90/03/51/1133900351.db2.gz MBOPKHIVPSUOPX-HOTGVXAUSA-N 2 1 276.468 3.537 20 0 CHADMP C[NH+](C)CC1(C[N@H+]2CCC[C@@H]2c2ccccc2)CCCC1 ZINC001208187361 1133902039 /nfs/dbraw/zinc/90/20/39/1133902039.db2.gz JKYZQGQICVEGQK-GOSISDBHSA-N 2 1 286.463 3.946 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@H](c3ccccc3)CC2)C1 ZINC001208613984 1133919714 /nfs/dbraw/zinc/91/97/14/1133919714.db2.gz BZYHUCIYXVZLEU-MJGOQNOKSA-N 2 1 286.463 3.598 20 0 CHADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@H](c3ccccc3)CC2)C1 ZINC001208613984 1133919716 /nfs/dbraw/zinc/91/97/16/1133919716.db2.gz BZYHUCIYXVZLEU-MJGOQNOKSA-N 2 1 286.463 3.598 20 0 CHADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@H](c3ccccc3)CC2)C1 ZINC001208613984 1133919719 /nfs/dbraw/zinc/91/97/19/1133919719.db2.gz BZYHUCIYXVZLEU-MJGOQNOKSA-N 2 1 286.463 3.598 20 0 CHADMP CC[NH+]1CCC([N@H+](C)CCC(C)(C)c2ccccc2)CC1 ZINC001208665919 1133923992 /nfs/dbraw/zinc/92/39/92/1133923992.db2.gz HKVZJJDEKNYREU-UHFFFAOYSA-N 2 1 288.479 3.770 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)CCC(C)(C)c2ccccc2)CC1 ZINC001208665919 1133923994 /nfs/dbraw/zinc/92/39/94/1133923994.db2.gz HKVZJJDEKNYREU-UHFFFAOYSA-N 2 1 288.479 3.770 20 0 CHADMP CC[NH+]1CCC([N@H+](C)CC[C@H](C)CC(C)(C)C)CC1 ZINC001208666640 1133925697 /nfs/dbraw/zinc/92/56/97/1133925697.db2.gz VQXNTZREFSILIG-HNNXBMFYSA-N 2 1 268.489 3.865 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)CC[C@H](C)CC(C)(C)C)CC1 ZINC001208666640 1133925701 /nfs/dbraw/zinc/92/57/01/1133925701.db2.gz VQXNTZREFSILIG-HNNXBMFYSA-N 2 1 268.489 3.865 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CCC2CC2)C3)cc1 ZINC001208686525 1133927636 /nfs/dbraw/zinc/92/76/36/1133927636.db2.gz MGLHYIJEMZAAAH-HXUWFJFHSA-N 2 1 298.474 3.775 20 0 CHADMP CC1CC([N@@H+](C)C[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001208930805 1133963533 /nfs/dbraw/zinc/96/35/33/1133963533.db2.gz FBEKOILVXANRQY-AVAKVYKDSA-N 2 1 286.463 3.629 20 0 CHADMP CC1CC([N@H+](C)C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208930805 1133963539 /nfs/dbraw/zinc/96/35/39/1133963539.db2.gz FBEKOILVXANRQY-AVAKVYKDSA-N 2 1 286.463 3.629 20 0 CHADMP CC1CC([N@@H+](C)C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208930805 1133963543 /nfs/dbraw/zinc/96/35/43/1133963543.db2.gz FBEKOILVXANRQY-AVAKVYKDSA-N 2 1 286.463 3.629 20 0 CHADMP CC1CC([NH+](C)C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208930805 1133963550 /nfs/dbraw/zinc/96/35/50/1133963550.db2.gz FBEKOILVXANRQY-AVAKVYKDSA-N 2 1 286.463 3.629 20 0 CHADMP CC1CC([NH+](C)C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208930805 1133963554 /nfs/dbraw/zinc/96/35/54/1133963554.db2.gz FBEKOILVXANRQY-AVAKVYKDSA-N 2 1 286.463 3.629 20 0 CHADMP C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208947491 1133965554 /nfs/dbraw/zinc/96/55/54/1133965554.db2.gz KVPLJBBVJPKEKS-ZHALLVOQSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208947491 1133965560 /nfs/dbraw/zinc/96/55/60/1133965560.db2.gz KVPLJBBVJPKEKS-ZHALLVOQSA-N 2 1 286.463 3.771 20 0 CHADMP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+](CC3CC3)C3CC3)C2)cc1 ZINC001208942385 1133966608 /nfs/dbraw/zinc/96/66/08/1133966608.db2.gz IBVQKJUKFCEIEH-LJQANCHMSA-N 2 1 298.474 3.773 20 0 CHADMP c1ccc(C[NH+]2CCC[C@@H](C[N@H+](CC3CC3)C3CC3)C2)cc1 ZINC001208942385 1133966613 /nfs/dbraw/zinc/96/66/13/1133966613.db2.gz IBVQKJUKFCEIEH-LJQANCHMSA-N 2 1 298.474 3.773 20 0 CHADMP c1ccc(C[N@H+]2CCC[C@@H](C[NH+](CC3CC3)C3CC3)C2)cc1 ZINC001208942385 1133966617 /nfs/dbraw/zinc/96/66/17/1133966617.db2.gz IBVQKJUKFCEIEH-LJQANCHMSA-N 2 1 298.474 3.773 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+](CC3CC3)C3CC3)C2)cc1 ZINC001208942385 1133966620 /nfs/dbraw/zinc/96/66/20/1133966620.db2.gz IBVQKJUKFCEIEH-LJQANCHMSA-N 2 1 298.474 3.773 20 0 CHADMP C[N@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)C1CCCC1 ZINC001208937205 1133968134 /nfs/dbraw/zinc/96/81/34/1133968134.db2.gz RQBZWUFEYIRHBC-SFHVURJKSA-N 2 1 286.463 3.773 20 0 CHADMP C[N@@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)C1CCCC1 ZINC001208937205 1133968139 /nfs/dbraw/zinc/96/81/39/1133968139.db2.gz RQBZWUFEYIRHBC-SFHVURJKSA-N 2 1 286.463 3.773 20 0 CHADMP C[NH+](C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001208937205 1133968143 /nfs/dbraw/zinc/96/81/43/1133968143.db2.gz RQBZWUFEYIRHBC-SFHVURJKSA-N 2 1 286.463 3.773 20 0 CHADMP C[NH+](C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001208937205 1133968149 /nfs/dbraw/zinc/96/81/49/1133968149.db2.gz RQBZWUFEYIRHBC-SFHVURJKSA-N 2 1 286.463 3.773 20 0 CHADMP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C2(CC2)C1 ZINC001208942091 1133968267 /nfs/dbraw/zinc/96/82/67/1133968267.db2.gz GFDIDZBZZPBNLT-PKOBYXMFSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C2(CC2)C1 ZINC001208942091 1133968270 /nfs/dbraw/zinc/96/82/70/1133968270.db2.gz GFDIDZBZZPBNLT-PKOBYXMFSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@@H]1C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C2(CC2)C1 ZINC001208942091 1133968272 /nfs/dbraw/zinc/96/82/72/1133968272.db2.gz GFDIDZBZZPBNLT-PKOBYXMFSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@@H]1C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C2(CC2)C1 ZINC001208942091 1133968276 /nfs/dbraw/zinc/96/82/76/1133968276.db2.gz GFDIDZBZZPBNLT-PKOBYXMFSA-N 2 1 298.474 3.773 20 0 CHADMP CC[NH+]1CCC([N@H+](C)CCCCCc2ccccc2)CC1 ZINC001209230026 1133992730 /nfs/dbraw/zinc/99/27/30/1133992730.db2.gz PKEVULHUAZLEKA-UHFFFAOYSA-N 2 1 288.479 3.816 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)CCCCCc2ccccc2)CC1 ZINC001209230026 1133992734 /nfs/dbraw/zinc/99/27/34/1133992734.db2.gz PKEVULHUAZLEKA-UHFFFAOYSA-N 2 1 288.479 3.816 20 0 CHADMP C[N@@H+](CCCCCc1ccccc1)CCC[NH+]1CCCC1 ZINC001209229329 1133993345 /nfs/dbraw/zinc/99/33/45/1133993345.db2.gz FXUZOLHFBLLUCC-UHFFFAOYSA-N 2 1 288.479 3.817 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2ccc(C)cc12 ZINC001209499458 1134030994 /nfs/dbraw/zinc/03/09/94/1134030994.db2.gz MCAWDWCRUYXINF-UHFFFAOYSA-N 2 1 287.451 3.640 20 0 CHADMP C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)cc2)CC[NH2+]1 ZINC001210474736 1134224314 /nfs/dbraw/zinc/22/43/14/1134224314.db2.gz IRIPTZRCXJRQLR-MRXNPFEDSA-N 2 1 280.415 3.537 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)CC[NH2+]1 ZINC001210474736 1134224318 /nfs/dbraw/zinc/22/43/18/1134224318.db2.gz IRIPTZRCXJRQLR-MRXNPFEDSA-N 2 1 280.415 3.537 20 0 CHADMP C[C@@H]1CC[N@H+](Cc2ccccc2-c2ccccc2)CC[NH2+]1 ZINC001210496124 1134228961 /nfs/dbraw/zinc/22/89/61/1134228961.db2.gz DNMQBLZKUMYDIM-MRXNPFEDSA-N 2 1 280.415 3.537 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2-c2ccccc2)CC[NH2+]1 ZINC001210496124 1134228966 /nfs/dbraw/zinc/22/89/66/1134228966.db2.gz DNMQBLZKUMYDIM-MRXNPFEDSA-N 2 1 280.415 3.537 20 0 CHADMP Cc1cccc(-c2ccc(C[N@@H+]3CC[NH2+][C@@H](C)CC3)cc2)c1 ZINC001210497089 1134230279 /nfs/dbraw/zinc/23/02/79/1134230279.db2.gz KQIQXONICGRLAE-KRWDZBQOSA-N 2 1 294.442 3.846 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3CC[NH2+][C@@H](C)CC3)cc2)c1 ZINC001210497089 1134230282 /nfs/dbraw/zinc/23/02/82/1134230282.db2.gz KQIQXONICGRLAE-KRWDZBQOSA-N 2 1 294.442 3.846 20 0 CHADMP [NH3+]CCCC[N@@H+](Cc1ccccc1)C1CCCCC1 ZINC001210579947 1134255900 /nfs/dbraw/zinc/25/59/00/1134255900.db2.gz CXHPTXSDEQZKPB-UHFFFAOYSA-N 2 1 260.425 3.560 20 0 CHADMP Cc1cc(C)[nH+]c(NC2=CC[C@H]([NH+]3CCCC3)CC2)c1 ZINC001210705393 1134277144 /nfs/dbraw/zinc/27/71/44/1134277144.db2.gz SFRAENAEUYKRNX-INIZCTEOSA-N 2 1 271.408 3.643 20 0 CHADMP CC(C)CC[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000190759303 1135136927 /nfs/dbraw/zinc/13/69/27/1135136927.db2.gz ZXJBHOZNILNNFL-MRXNPFEDSA-N 2 1 274.452 3.848 20 0 CHADMP C(CC1CCCCC1)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222231097 1135209771 /nfs/dbraw/zinc/20/97/71/1135209771.db2.gz JAYXHEXXQAYGQB-QGZVFWFLSA-N 2 1 264.457 3.565 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222247337 1135214299 /nfs/dbraw/zinc/21/42/99/1135214299.db2.gz DBZPMVUUPRTLQF-FQEVSTJZSA-N 2 1 294.442 3.866 20 0 CHADMP c1cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c2cccccc1-2 ZINC001222253504 1135215043 /nfs/dbraw/zinc/21/50/43/1135215043.db2.gz PNWDLYNZDIVKPJ-LJQANCHMSA-N 2 1 280.415 3.509 20 0 CHADMP c1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c2cccccc1-2 ZINC001222253504 1135215047 /nfs/dbraw/zinc/21/50/47/1135215047.db2.gz PNWDLYNZDIVKPJ-LJQANCHMSA-N 2 1 280.415 3.509 20 0 CHADMP CCCC[C@H](CC)C[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001222287143 1135218164 /nfs/dbraw/zinc/21/81/64/1135218164.db2.gz APKFPSXJZIACGV-INIZCTEOSA-N 2 1 266.473 3.811 20 0 CHADMP Cc1csc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1Cl ZINC001222308280 1135221374 /nfs/dbraw/zinc/22/13/74/1135221374.db2.gz IHXDHEKWRTXKKS-HNNXBMFYSA-N 2 1 298.883 3.818 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222315891 1135223767 /nfs/dbraw/zinc/22/37/67/1135223767.db2.gz QHPBWYXYLLEVTP-QGZVFWFLSA-N 2 1 292.854 3.757 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c(Cl)c1 ZINC001222315230 1135224623 /nfs/dbraw/zinc/22/46/23/1135224623.db2.gz LLGQRHDFVUDJIJ-KRWDZBQOSA-N 2 1 292.854 3.757 20 0 CHADMP c1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c2c(c1)CCCC2 ZINC001222320581 1135225154 /nfs/dbraw/zinc/22/51/54/1135225154.db2.gz KPJKKPGFUFUWNI-HXUWFJFHSA-N 2 1 298.474 3.674 20 0 CHADMP Cc1cc(F)cc(C)c1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222320343 1135225411 /nfs/dbraw/zinc/22/54/11/1135225411.db2.gz GXPKLSZPGHBWTM-SFHVURJKSA-N 2 1 290.426 3.551 20 0 CHADMP Clc1sccc1C[N@@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222320390 1135225500 /nfs/dbraw/zinc/22/55/00/1135225500.db2.gz IBKOWPNCWCWZDC-AWEZNQCLSA-N 2 1 284.856 3.510 20 0 CHADMP Clc1sccc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222320390 1135225503 /nfs/dbraw/zinc/22/55/03/1135225503.db2.gz IBKOWPNCWCWZDC-AWEZNQCLSA-N 2 1 284.856 3.510 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222353495 1135230995 /nfs/dbraw/zinc/23/09/95/1135230995.db2.gz BNSSLTZXKVPEDW-FQEVSTJZSA-N 2 1 294.442 3.866 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222353495 1135230999 /nfs/dbraw/zinc/23/09/99/1135230999.db2.gz BNSSLTZXKVPEDW-FQEVSTJZSA-N 2 1 294.442 3.866 20 0 CHADMP C(C[NH2+]C1CCCCC1)C[N@H+]1CCCC2(CCCC2)C1 ZINC001222400915 1135236826 /nfs/dbraw/zinc/23/68/26/1135236826.db2.gz NJVOFXIHMGKDOL-UHFFFAOYSA-N 2 1 278.484 3.955 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222421721 1135239637 /nfs/dbraw/zinc/23/96/37/1135239637.db2.gz OYTLDTBPVZUVCA-IAGOWNOFSA-N 2 1 264.457 3.587 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222421724 1135239811 /nfs/dbraw/zinc/23/98/11/1135239811.db2.gz OYTLDTBPVZUVCA-SJORKVTESA-N 2 1 264.457 3.587 20 0 CHADMP C[C@@H](C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)c1cccc2ccccc21 ZINC001222465818 1135244186 /nfs/dbraw/zinc/24/41/86/1135244186.db2.gz ZLDJWSNUEWOOIM-JXFKEZNVSA-N 2 1 294.442 3.771 20 0 CHADMP C[C@@H](C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)c1cccc2ccccc21 ZINC001222465818 1135244192 /nfs/dbraw/zinc/24/41/92/1135244192.db2.gz ZLDJWSNUEWOOIM-JXFKEZNVSA-N 2 1 294.442 3.771 20 0 CHADMP c1cc(-c2cccc(C[N@H+]3CC[C@H]4C[NH2+]CC[C@H]43)c2)cs1 ZINC001222620069 1135256045 /nfs/dbraw/zinc/25/60/45/1135256045.db2.gz FJYTXZRSCQDPGR-FUHWJXTLSA-N 2 1 298.455 3.599 20 0 CHADMP CC1=CC[C@@H](CC[NH+]2CCC3(CCC[NH2+]3)CC2)C1(C)C ZINC001226784044 1135741599 /nfs/dbraw/zinc/74/15/99/1135741599.db2.gz JNHMSDWKTFXUCX-INIZCTEOSA-N 2 1 276.468 3.587 20 0 CHADMP CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1F ZINC000352793310 529670459 /nfs/dbraw/zinc/67/04/59/529670459.db2.gz AZRPECYVGAECBE-VBQJREDUSA-N 2 1 278.415 3.739 20 0 CHADMP c1cc(-c2ccccc2)oc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574276539 335006369 /nfs/dbraw/zinc/00/63/69/335006369.db2.gz ASMDYLYJXUBABV-IBGZPJMESA-N 2 1 296.414 3.522 20 0 CHADMP c1cc(-c2ccccc2)oc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574276539 335006371 /nfs/dbraw/zinc/00/63/71/335006371.db2.gz ASMDYLYJXUBABV-IBGZPJMESA-N 2 1 296.414 3.522 20 0 CHADMP CCCC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[N@@H+](CCC)C1 ZINC000574601029 335032542 /nfs/dbraw/zinc/03/25/42/335032542.db2.gz QIKFRSWDGWUANX-HRCADAONSA-N 2 1 254.462 3.523 20 0 CHADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cc2ccccc2s1 ZINC000347111853 532980258 /nfs/dbraw/zinc/98/02/58/532980258.db2.gz QCHQNAZIWZJYAT-DOMZBBRYSA-N 2 1 274.433 3.603 20 0 CHADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cc2ccccc2s1 ZINC000347111853 532980264 /nfs/dbraw/zinc/98/02/64/532980264.db2.gz QCHQNAZIWZJYAT-DOMZBBRYSA-N 2 1 274.433 3.603 20 0 CHADMP C[C@H](C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C)c1cccc(Cl)c1 ZINC000574846851 335051957 /nfs/dbraw/zinc/05/19/57/335051957.db2.gz VALDJTLWCIGESG-CPUCHLNUSA-N 2 1 294.870 3.716 20 0 CHADMP C[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C)c1cccc(Cl)c1 ZINC000574846851 335051958 /nfs/dbraw/zinc/05/19/58/335051958.db2.gz VALDJTLWCIGESG-CPUCHLNUSA-N 2 1 294.870 3.716 20 0 CHADMP C[C@H](C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C)c1cccc(Cl)c1 ZINC000574846851 335051960 /nfs/dbraw/zinc/05/19/60/335051960.db2.gz VALDJTLWCIGESG-CPUCHLNUSA-N 2 1 294.870 3.716 20 0 CHADMP C[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C)c1cccc(Cl)c1 ZINC000574846851 335051962 /nfs/dbraw/zinc/05/19/62/335051962.db2.gz VALDJTLWCIGESG-CPUCHLNUSA-N 2 1 294.870 3.716 20 0 CHADMP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(F)c(Cl)c1 ZINC000020078414 262227369 /nfs/dbraw/zinc/22/73/69/262227369.db2.gz VCRJGXBISLDSKF-LLVKDONJSA-N 2 1 286.822 3.718 20 0 CHADMP c1ccc2c(c1)SCC[C@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000020128813 171015895 /nfs/dbraw/zinc/01/58/95/171015895.db2.gz CAPXGPFIZITGTB-MRXNPFEDSA-N 2 1 290.476 3.689 20 0 CHADMP CC[N@@H+]1CCC[C@H]1CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000020556766 171250147 /nfs/dbraw/zinc/25/01/47/171250147.db2.gz FPXYEFJYPNBGML-ZDUSSCGKSA-N 2 1 289.810 3.784 20 0 CHADMP CC[N@H+]1CCC[C@H]1CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000020556766 171250149 /nfs/dbraw/zinc/25/01/49/171250149.db2.gz FPXYEFJYPNBGML-ZDUSSCGKSA-N 2 1 289.810 3.784 20 0 CHADMP C[NH+](C)CC(C)(C)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000020826553 171273671 /nfs/dbraw/zinc/27/36/71/171273671.db2.gz QEHAEHPXENNJIE-UHFFFAOYSA-N 2 1 296.458 3.953 20 0 CHADMP C[C@H](N[C@@H](C)c1ccccn1)c1ccc(-n2ccnc2)cc1 ZINC000192917681 227382820 /nfs/dbraw/zinc/38/28/20/227382820.db2.gz VTLGLVIAZDXTBI-GJZGRUSLSA-N 2 1 292.386 3.679 20 0 CHADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000366974964 226030956 /nfs/dbraw/zinc/03/09/56/226030956.db2.gz ULONTHJYDIWZNH-VYIWNADRSA-N 2 1 286.463 3.559 20 0 CHADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000366974963 226031001 /nfs/dbraw/zinc/03/10/01/226031001.db2.gz ULONTHJYDIWZNH-FSNPWBFUSA-N 2 1 286.463 3.559 20 0 CHADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000347082520 226042930 /nfs/dbraw/zinc/04/29/30/226042930.db2.gz ZJCAGNBEDHTCBA-NEPJUHHUSA-N 2 1 292.810 3.645 20 0 CHADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000347082520 226042933 /nfs/dbraw/zinc/04/29/33/226042933.db2.gz ZJCAGNBEDHTCBA-NEPJUHHUSA-N 2 1 292.810 3.645 20 0 CHADMP C[C@@H]1CC2(C[N@H+]1Cc1cccc(C(F)F)c1)CC[NH2+]CC2 ZINC000335280507 226207661 /nfs/dbraw/zinc/20/76/61/226207661.db2.gz UCDSBMAQNVTYEZ-CYBMUJFWSA-N 2 1 294.389 3.588 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CCCC1CCCCC1 ZINC000347938349 226393662 /nfs/dbraw/zinc/39/36/62/226393662.db2.gz KBHXHCQYXSHEAW-HNNXBMFYSA-N 2 1 277.456 3.778 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CCCC1CCCCC1 ZINC000347938394 226393874 /nfs/dbraw/zinc/39/38/74/226393874.db2.gz KBHXHCQYXSHEAW-OAHLLOKOSA-N 2 1 277.456 3.778 20 0 CHADMP CSc1ccc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1F ZINC000348008533 226395432 /nfs/dbraw/zinc/39/54/32/226395432.db2.gz IIKTWGNCCMJGCR-RYUDHWBXSA-N 2 1 284.444 3.538 20 0 CHADMP C[C@@H](CC1CCCCC1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352706673 227173535 /nfs/dbraw/zinc/17/35/35/227173535.db2.gz PNKHKIICFCRUHO-ZDUSSCGKSA-N 2 1 295.496 3.653 20 0 CHADMP C[NH+](C)Cc1cnc(C[NH2+]C(C)(C)CC(C)(C)C)s1 ZINC000352772063 227209512 /nfs/dbraw/zinc/20/95/12/227209512.db2.gz PFISEYPACGHMND-UHFFFAOYSA-N 2 1 283.485 3.509 20 0 CHADMP C[C@@H]1CCCC[C@H]1CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352778577 227213694 /nfs/dbraw/zinc/21/36/94/227213694.db2.gz VTEFCFDEMNYVMY-KGLIPLIRSA-N 2 1 295.496 3.511 20 0 CHADMP CCc1ccc([C@H](CC)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037648978 260115470 /nfs/dbraw/zinc/11/54/70/260115470.db2.gz VWTAWAUVHPHEBN-LPHOPBHVSA-N 2 1 286.463 3.774 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCNCc1ccsc1Cl ZINC000312584008 260159624 /nfs/dbraw/zinc/15/96/24/260159624.db2.gz OODNYFBJYKKUSX-GFCCVEGCSA-N 2 1 286.872 3.756 20 0 CHADMP Cc1ccc(C[N@H+](CCCc2cncn2C)C2CC2)cc1C ZINC000517387443 260174898 /nfs/dbraw/zinc/17/48/98/260174898.db2.gz GNRLXLUBYAXEEI-UHFFFAOYSA-N 2 1 297.446 3.634 20 0 CHADMP Cc1ccc(C[N@@H+](CCCc2c[nH+]cn2C)C2CC2)cc1C ZINC000517387443 260174899 /nfs/dbraw/zinc/17/48/99/260174899.db2.gz GNRLXLUBYAXEEI-UHFFFAOYSA-N 2 1 297.446 3.634 20 0 CHADMP Cc1ccc(C[N@H+](CCCc2c[nH+]cn2C)C2CC2)cc1C ZINC000517387443 260174901 /nfs/dbraw/zinc/17/49/01/260174901.db2.gz GNRLXLUBYAXEEI-UHFFFAOYSA-N 2 1 297.446 3.634 20 0 CHADMP CCCC[C@H]([NH2+]CCn1cc[nH+]c1C)c1ccccc1 ZINC000312803230 260204826 /nfs/dbraw/zinc/20/48/26/260204826.db2.gz QPVAYRIBXMMEJM-KRWDZBQOSA-N 2 1 271.408 3.713 20 0 CHADMP CCCC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1ccccc1 ZINC000312803232 260204843 /nfs/dbraw/zinc/20/48/43/260204843.db2.gz QPVAYRIBXMMEJM-QGZVFWFLSA-N 2 1 271.408 3.713 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC23CCCCC3)CC[N@@H+]1C ZINC000312991786 260229385 /nfs/dbraw/zinc/22/93/85/260229385.db2.gz NISSQBQMIMLIGG-OWCLPIDISA-N 2 1 264.457 3.562 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC23CCCCC3)CC[N@H+]1C ZINC000312991786 260229386 /nfs/dbraw/zinc/22/93/86/260229386.db2.gz NISSQBQMIMLIGG-OWCLPIDISA-N 2 1 264.457 3.562 20 0 CHADMP Cc1cccc([C@@H](C)[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000128144957 260372249 /nfs/dbraw/zinc/37/22/49/260372249.db2.gz NJTKSQQWJDPRCK-OAHLLOKOSA-N 2 1 272.436 3.520 20 0 CHADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000128423135 260375334 /nfs/dbraw/zinc/37/53/34/260375334.db2.gz UDAMMYBYMKZGJB-AWEZNQCLSA-N 2 1 288.357 3.511 20 0 CHADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000152692847 261068496 /nfs/dbraw/zinc/06/84/96/261068496.db2.gz DZEMBLRJCSPTNO-RDTXWAMCSA-N 2 1 284.447 3.760 20 0 CHADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156123286 261114454 /nfs/dbraw/zinc/11/44/54/261114454.db2.gz NSNOBHHMLOTPLY-JZXOWHBKSA-N 2 1 288.479 3.815 20 0 CHADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156123286 261114455 /nfs/dbraw/zinc/11/44/55/261114455.db2.gz NSNOBHHMLOTPLY-JZXOWHBKSA-N 2 1 288.479 3.815 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cncc(F)c1 ZINC000157886803 261154495 /nfs/dbraw/zinc/15/44/95/261154495.db2.gz WFVXOXYNENSBMV-CABCVRRESA-N 2 1 293.430 3.526 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000157891070 261154604 /nfs/dbraw/zinc/15/46/04/261154604.db2.gz ULWIRZDMIORSBA-GJZGRUSLSA-N 2 1 264.413 3.585 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC000164686170 261357265 /nfs/dbraw/zinc/35/72/65/261357265.db2.gz LIYHVPDLMIJNPJ-GOSISDBHSA-N 2 1 283.419 3.639 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000180449288 261859927 /nfs/dbraw/zinc/85/99/27/261859927.db2.gz CMVSVWCFCRYEAD-MNNVXMFVSA-N 2 1 297.446 3.672 20 0 CHADMP C[C@@H](NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000309752968 262013084 /nfs/dbraw/zinc/01/30/84/262013084.db2.gz WILDHVVSOAWORE-APWZRJJASA-N 2 1 298.430 3.842 20 0 CHADMP C[C@@H]([NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1)c1ccco1 ZINC000309752968 262013086 /nfs/dbraw/zinc/01/30/86/262013086.db2.gz WILDHVVSOAWORE-APWZRJJASA-N 2 1 298.430 3.842 20 0 CHADMP C(CC1CCCCCC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000394590557 262018162 /nfs/dbraw/zinc/01/81/62/262018162.db2.gz WQRDVAZQSSPSOD-UHFFFAOYSA-N 2 1 264.457 3.563 20 0 CHADMP C[NH+](C)C1(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CCCCC1 ZINC000503212162 262242376 /nfs/dbraw/zinc/24/23/76/262242376.db2.gz NFWVUYRIWZHVRJ-ROUUACIJSA-N 2 1 286.463 3.644 20 0 CHADMP COc1ccc(C)cc1[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000020552552 262250192 /nfs/dbraw/zinc/25/01/92/262250192.db2.gz QPRDXTPYENGSOF-MRXNPFEDSA-N 2 1 290.451 3.530 20 0 CHADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000221846248 262306386 /nfs/dbraw/zinc/30/63/86/262306386.db2.gz NYSMHHPKPHAIDM-ATLSCFEFSA-N 2 1 278.484 3.521 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C)(C(C)C)CC1 ZINC000186189966 262312875 /nfs/dbraw/zinc/31/28/75/262312875.db2.gz SHISMOWOVKWQKC-UHFFFAOYSA-N 2 1 277.456 3.730 20 0 CHADMP CC1(C)CC([NH2+][C@@H]2CCCc3occc32)CC(C)(C)[NH2+]1 ZINC000122084431 262343404 /nfs/dbraw/zinc/34/34/04/262343404.db2.gz ODSZDYLUXXZMNH-CQSZACIVSA-N 2 1 276.424 3.556 20 0 CHADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2occc21 ZINC000122065987 262343413 /nfs/dbraw/zinc/34/34/13/262343413.db2.gz SHXFXWJAWFBHJA-GOEBONIOSA-N 2 1 276.424 3.511 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCc2occc21 ZINC000122065987 262343414 /nfs/dbraw/zinc/34/34/14/262343414.db2.gz SHXFXWJAWFBHJA-GOEBONIOSA-N 2 1 276.424 3.511 20 0 CHADMP CCC1CCC([NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000021061381 262375163 /nfs/dbraw/zinc/37/51/63/262375163.db2.gz DZYXBUDTJSOMTN-JCYILVPMSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@H]1C[C@H](C[N@@H+](Cc2ccccc2)C(C)(C)C)CC[NH2+]1 ZINC000414666432 263024699 /nfs/dbraw/zinc/02/46/99/263024699.db2.gz GJGYEVCEXMOIJZ-DOTOQJQBSA-N 2 1 274.452 3.675 20 0 CHADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC000414703971 263033083 /nfs/dbraw/zinc/03/30/83/263033083.db2.gz VYMQHFBLXPYFGN-YCPHGPKFSA-N 2 1 292.854 3.517 20 0 CHADMP CC[C@H](C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000414788844 263048514 /nfs/dbraw/zinc/04/85/14/263048514.db2.gz XJYZNWNBFXMAJF-NEWSRXKRSA-N 2 1 286.463 3.502 20 0 CHADMP Cc1ccc(-c2ccc(C[NH2+][C@H](C[NH3+])C3CC3)s2)cc1 ZINC000414792037 263049184 /nfs/dbraw/zinc/04/91/84/263049184.db2.gz BVYVQBMBKFKUBE-MRXNPFEDSA-N 2 1 286.444 3.550 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CCc1ccc(Cl)s1 ZINC000414814211 263053289 /nfs/dbraw/zinc/05/32/89/263053289.db2.gz NLICMMDBTSHULN-VXGBXAGGSA-N 2 1 288.888 3.830 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+]Cc1csc2ccccc12 ZINC000414813168 263053412 /nfs/dbraw/zinc/05/34/12/263053412.db2.gz MBZMHEDHJOUPQQ-CYBMUJFWSA-N 2 1 262.422 3.508 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000414817865 263054115 /nfs/dbraw/zinc/05/41/15/263054115.db2.gz UAGKSOUJVOMYLV-WFASDCNBSA-N 2 1 268.832 3.551 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000414816992 263054318 /nfs/dbraw/zinc/05/43/18/263054318.db2.gz RHCGSQXLDUUEKN-FGTMMUONSA-N 2 1 274.452 3.505 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000414816993 263054397 /nfs/dbraw/zinc/05/43/97/263054397.db2.gz RHCGSQXLDUUEKN-KZNAEPCWSA-N 2 1 274.452 3.505 20 0 CHADMP C[C@@H]1[C@H]([NH2+][C@@H](C[NH3+])C2CCCCC2)C[C@H]1c1ccccc1 ZINC000414834044 263056816 /nfs/dbraw/zinc/05/68/16/263056816.db2.gz GHOBJIQWYIUAOS-PIKADFDJSA-N 2 1 286.463 3.676 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]CCC(C)(C)C ZINC000187670916 263265923 /nfs/dbraw/zinc/26/59/23/263265923.db2.gz LBDKYZIHNWALNG-HNNXBMFYSA-N 2 1 254.462 3.667 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415086820 263271878 /nfs/dbraw/zinc/27/18/78/263271878.db2.gz SUPOYVGYWNCRCN-NXNVCVFFSA-N 2 1 260.425 3.504 20 0 CHADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCc4ccccc43)CC[NH2+]2)cc1 ZINC000415109511 263272947 /nfs/dbraw/zinc/27/29/47/263272947.db2.gz PQHVBZCXLMQLOD-RLLQIKCJSA-N 2 1 292.426 3.757 20 0 CHADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3CCc4ccccc43)CC[NH2+]2)cc1 ZINC000415109513 263273157 /nfs/dbraw/zinc/27/31/57/263273157.db2.gz PQHVBZCXLMQLOD-SXLOBPIMSA-N 2 1 292.426 3.757 20 0 CHADMP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000415096622 263273398 /nfs/dbraw/zinc/27/33/98/263273398.db2.gz BUFYCKHCNBBITN-GWCFXTLKSA-N 2 1 287.234 3.614 20 0 CHADMP c1ccc([C@H]2C[C@H]([NH2+]CC3CCCCC3)CC[NH2+]2)cc1 ZINC000415100801 263273847 /nfs/dbraw/zinc/27/38/47/263273847.db2.gz IDEPFNOKWVDWBG-QZTJIDSGSA-N 2 1 272.436 3.650 20 0 CHADMP Cc1cccc(CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000415120456 263274371 /nfs/dbraw/zinc/27/43/71/263274371.db2.gz YEVNBXXOIAFFEC-VQTJNVASSA-N 2 1 294.442 3.620 20 0 CHADMP CS[C@H]1CC[C@H]1[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000425361222 264147429 /nfs/dbraw/zinc/14/74/29/264147429.db2.gz UAJZOOUSUSRAGK-SJORKVTESA-N 2 1 292.492 3.510 20 0 CHADMP CS[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000425365383 264210837 /nfs/dbraw/zinc/21/08/37/264210837.db2.gz YDHGACBZNLSCMM-IRXDYDNUSA-N 2 1 292.492 3.510 20 0 CHADMP CS[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000425365382 264211466 /nfs/dbraw/zinc/21/14/66/264211466.db2.gz YDHGACBZNLSCMM-IAGOWNOFSA-N 2 1 292.492 3.510 20 0 CHADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000070169699 264225092 /nfs/dbraw/zinc/22/50/92/264225092.db2.gz SLFIHPYMEFBNEB-NSHDSACASA-N 2 1 287.234 3.554 20 0 CHADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000425958539 264226346 /nfs/dbraw/zinc/22/63/46/264226346.db2.gz NTLZTNJBEVGVND-FHSNZYRGSA-N 2 1 290.426 3.521 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000425958539 264226348 /nfs/dbraw/zinc/22/63/48/264226348.db2.gz NTLZTNJBEVGVND-FHSNZYRGSA-N 2 1 290.426 3.521 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2C)[C@@H](C)C1 ZINC000468392766 264338796 /nfs/dbraw/zinc/33/87/96/264338796.db2.gz NGBLMOVHLXMAIX-YOEHRIQHSA-N 2 1 294.870 3.811 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000157438600 264362477 /nfs/dbraw/zinc/36/24/77/264362477.db2.gz FWDOFLLNBOUGFO-XMTFNYHQSA-N 2 1 278.484 3.808 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cccc(O)c2)c1 ZINC000131432158 264371720 /nfs/dbraw/zinc/37/17/20/264371720.db2.gz CDKFJYFNOARDNQ-UHFFFAOYSA-N 2 1 298.430 3.522 20 0 CHADMP CCc1c2ccccc2oc1[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000320772667 265032306 /nfs/dbraw/zinc/03/23/06/265032306.db2.gz YQVLWRBWZGEFGP-ZDUSSCGKSA-N 2 1 297.402 3.851 20 0 CHADMP C[C@H](CC[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21)c1ccccc1 ZINC000519129547 265328252 /nfs/dbraw/zinc/32/82/52/265328252.db2.gz BEAUVYDUYNOUIN-NZSAHSFTSA-N 2 1 286.463 3.596 20 0 CHADMP C[C@H](CC[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1ccccc1 ZINC000519129547 265328254 /nfs/dbraw/zinc/32/82/54/265328254.db2.gz BEAUVYDUYNOUIN-NZSAHSFTSA-N 2 1 286.463 3.596 20 0 CHADMP C[C@H](CC[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21)c1ccccc1 ZINC000519129547 265328256 /nfs/dbraw/zinc/32/82/56/265328256.db2.gz BEAUVYDUYNOUIN-NZSAHSFTSA-N 2 1 286.463 3.596 20 0 CHADMP CCCC[C@H](C)[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000356505693 266127464 /nfs/dbraw/zinc/12/74/64/266127464.db2.gz MUUATRYAZUGDQR-AWEZNQCLSA-N 2 1 286.423 3.586 20 0 CHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H]1c1cccs1 ZINC000356853076 266191522 /nfs/dbraw/zinc/19/15/22/266191522.db2.gz NSTPVJFXHFBDBV-HUUCEWRRSA-N 2 1 278.465 3.759 20 0 CHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000356853076 266191525 /nfs/dbraw/zinc/19/15/25/266191525.db2.gz NSTPVJFXHFBDBV-HUUCEWRRSA-N 2 1 278.465 3.759 20 0 CHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H]1c1cccs1 ZINC000356853076 266191526 /nfs/dbraw/zinc/19/15/26/266191526.db2.gz NSTPVJFXHFBDBV-HUUCEWRRSA-N 2 1 278.465 3.759 20 0 CHADMP CC(C)[NH+]1CCC([N@H+](C)CCSc2ccccc2)CC1 ZINC000357752073 266355744 /nfs/dbraw/zinc/35/57/44/266355744.db2.gz IVOACDSHCDDGGU-UHFFFAOYSA-N 2 1 292.492 3.583 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)CCSc2ccccc2)CC1 ZINC000357752073 266355745 /nfs/dbraw/zinc/35/57/45/266355745.db2.gz IVOACDSHCDDGGU-UHFFFAOYSA-N 2 1 292.492 3.583 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@H](C)C2)c1 ZINC000358033844 266401916 /nfs/dbraw/zinc/40/19/16/266401916.db2.gz GQULSBUIIUMFJC-MAUKXSAKSA-N 2 1 274.452 3.805 20 0 CHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CCC3(CC3)CC2)C1 ZINC000362919087 267061235 /nfs/dbraw/zinc/06/12/35/267061235.db2.gz RJKSZXLMMGMJAO-INIZCTEOSA-N 2 1 278.484 3.811 20 0 CHADMP C1CCC([N@H+]2CCC3(C2)CC[NH+](C2CCCC2)CC3)C1 ZINC000369948046 267278697 /nfs/dbraw/zinc/27/86/97/267278697.db2.gz JSIWHPCJNQXHIR-UHFFFAOYSA-N 2 1 276.468 3.660 20 0 CHADMP Cc1ccccc1C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000370534160 267327146 /nfs/dbraw/zinc/32/71/46/267327146.db2.gz RFULLVQBNROCHS-UFYCRDLUSA-N 2 1 298.474 3.533 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000120076892 267356983 /nfs/dbraw/zinc/35/69/83/267356983.db2.gz CKRCMRYFLVSHJR-MRXNPFEDSA-N 2 1 277.456 3.872 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1CC(C)(C)C ZINC000120076892 267356986 /nfs/dbraw/zinc/35/69/86/267356986.db2.gz CKRCMRYFLVSHJR-MRXNPFEDSA-N 2 1 277.456 3.872 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000164616275 327722677 /nfs/dbraw/zinc/72/26/77/327722677.db2.gz PRFRCKRPSKKJAS-HNNXBMFYSA-N 2 1 297.446 3.811 20 0 CHADMP c1ccc([C@H]2CCCC[C@H]2[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000378867792 327762145 /nfs/dbraw/zinc/76/21/45/327762145.db2.gz GCWSMUBIXYGWPY-WOJBJXKFSA-N 2 1 298.474 3.929 20 0 CHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000531682487 328021155 /nfs/dbraw/zinc/02/11/55/328021155.db2.gz IDEFARPIHHLRGN-QFBILLFUSA-N 2 1 286.463 3.776 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)[C@@H](C)C1 ZINC000531694532 328025220 /nfs/dbraw/zinc/02/52/20/328025220.db2.gz BJHUIJYUUWVDJZ-MAUKXSAKSA-N 2 1 288.479 3.804 20 0 CHADMP CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000531720109 328028540 /nfs/dbraw/zinc/02/85/40/328028540.db2.gz KROIHUGYZWIXIS-HZPDHXFCSA-N 2 1 264.457 3.728 20 0 CHADMP CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000531720109 328028542 /nfs/dbraw/zinc/02/85/42/328028542.db2.gz KROIHUGYZWIXIS-HZPDHXFCSA-N 2 1 264.457 3.728 20 0 CHADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1c1ccccc1Cl ZINC000534019866 328033018 /nfs/dbraw/zinc/03/30/18/328033018.db2.gz LTGOTTGCWSGMFB-WMLDXEAASA-N 2 1 292.854 3.961 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1c1ccccc1Cl ZINC000534019866 328033019 /nfs/dbraw/zinc/03/30/19/328033019.db2.gz LTGOTTGCWSGMFB-WMLDXEAASA-N 2 1 292.854 3.961 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000534019866 328033020 /nfs/dbraw/zinc/03/30/20/328033020.db2.gz LTGOTTGCWSGMFB-WMLDXEAASA-N 2 1 292.854 3.961 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000534019866 328033021 /nfs/dbraw/zinc/03/30/21/328033021.db2.gz LTGOTTGCWSGMFB-WMLDXEAASA-N 2 1 292.854 3.961 20 0 CHADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1cccc2ccccc21 ZINC000534017947 328033075 /nfs/dbraw/zinc/03/30/75/328033075.db2.gz HZIZFPYMCHTJCV-GOSISDBHSA-N 2 1 282.431 3.756 20 0 CHADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1cccc2ccccc21 ZINC000534017947 328033076 /nfs/dbraw/zinc/03/30/76/328033076.db2.gz HZIZFPYMCHTJCV-GOSISDBHSA-N 2 1 282.431 3.756 20 0 CHADMP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1cccc2ccccc21 ZINC000534017947 328033078 /nfs/dbraw/zinc/03/30/78/328033078.db2.gz HZIZFPYMCHTJCV-GOSISDBHSA-N 2 1 282.431 3.756 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+]CCC2CCCCCC2)C1 ZINC000571329047 328107648 /nfs/dbraw/zinc/10/76/48/328107648.db2.gz YAWXTJMGWYACJG-KRWDZBQOSA-N 2 1 266.473 3.668 20 0 CHADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(-c2ccccc2)o1 ZINC000271812281 328197667 /nfs/dbraw/zinc/19/76/67/328197667.db2.gz AWCQIMNZONSGEQ-OAHLLOKOSA-N 2 1 296.414 3.859 20 0 CHADMP CC[N@@H+](Cc1c(C)oc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000414720221 328216891 /nfs/dbraw/zinc/21/68/91/328216891.db2.gz XSOSUJLDPJSVGT-HNNXBMFYSA-N 2 1 286.419 3.705 20 0 CHADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(Cl)c1Cl ZINC000414801813 328231778 /nfs/dbraw/zinc/23/17/78/328231778.db2.gz MHCQSMPLCOTTBX-WCBMZHEXSA-N 2 1 293.263 3.662 20 0 CHADMP [NH3+]C1(C[NH2+]Cc2ccc(C(F)(F)F)s2)CCCCC1 ZINC000414848956 328236780 /nfs/dbraw/zinc/23/67/80/328236780.db2.gz WVDOTWBDGCVGSL-UHFFFAOYSA-N 2 1 292.370 3.518 20 0 CHADMP CCCC[C@@H]1CCC[C@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414872643 328246148 /nfs/dbraw/zinc/24/61/48/328246148.db2.gz GGNPKTJJWFUGTL-QZTJIDSGSA-N 2 1 289.467 3.510 20 0 CHADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C[C@@H](C)C1 ZINC000415081505 328302304 /nfs/dbraw/zinc/30/23/04/328302304.db2.gz CGPOAHFNQDRMNR-BSWVEEBUSA-N 2 1 286.463 3.894 20 0 CHADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C[C@@H](C)C1 ZINC000415081506 328302399 /nfs/dbraw/zinc/30/23/99/328302399.db2.gz CGPOAHFNQDRMNR-BVRUVYRISA-N 2 1 286.463 3.894 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000534757885 328360338 /nfs/dbraw/zinc/36/03/38/328360338.db2.gz DQUHVGOGBBLCPR-BBRMVZONSA-N 2 1 280.843 3.817 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000534757885 328360339 /nfs/dbraw/zinc/36/03/39/328360339.db2.gz DQUHVGOGBBLCPR-BBRMVZONSA-N 2 1 280.843 3.817 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000534757885 328360341 /nfs/dbraw/zinc/36/03/41/328360341.db2.gz DQUHVGOGBBLCPR-BBRMVZONSA-N 2 1 280.843 3.817 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000534757885 328360342 /nfs/dbraw/zinc/36/03/42/328360342.db2.gz DQUHVGOGBBLCPR-BBRMVZONSA-N 2 1 280.843 3.817 20 0 CHADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000049553097 328371822 /nfs/dbraw/zinc/37/18/22/328371822.db2.gz NWGZSNPFWLFYJN-RYUDHWBXSA-N 2 1 288.357 3.696 20 0 CHADMP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261584273 327000596 /nfs/dbraw/zinc/00/05/96/327000596.db2.gz HUYIZJUXNDRSJN-YJKIEOBBSA-N 2 1 299.245 3.724 20 0 CHADMP C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261584273 327000597 /nfs/dbraw/zinc/00/05/97/327000597.db2.gz HUYIZJUXNDRSJN-YJKIEOBBSA-N 2 1 299.245 3.724 20 0 CHADMP C[C@H](c1cc(Cl)ccc1Cl)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261587461 327007673 /nfs/dbraw/zinc/00/76/73/327007673.db2.gz JLEXVVQOYFHVAR-BILRFKGYSA-N 2 1 299.245 3.724 20 0 CHADMP C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261587461 327007674 /nfs/dbraw/zinc/00/76/74/327007674.db2.gz JLEXVVQOYFHVAR-BILRFKGYSA-N 2 1 299.245 3.724 20 0 CHADMP CC(C)c1ccc([C@H](C)[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000261721551 327035026 /nfs/dbraw/zinc/03/50/26/327035026.db2.gz KGSXJCNNIYCPGI-MGHWNKPDSA-N 2 1 272.436 3.540 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CC[C@H]2C(C)(C)C)C1 ZINC000558226562 327079431 /nfs/dbraw/zinc/07/94/31/327079431.db2.gz POXNLOQXKSBCEZ-ZACQAIPSSA-N 2 1 280.500 3.913 20 0 CHADMP C[C@@H]1C[N@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000262047292 327088621 /nfs/dbraw/zinc/08/86/21/327088621.db2.gz CNCILXXYNZUJBF-DNVCBOLYSA-N 2 1 296.414 3.648 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000262047292 327088622 /nfs/dbraw/zinc/08/86/22/327088622.db2.gz CNCILXXYNZUJBF-DNVCBOLYSA-N 2 1 296.414 3.648 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc3ccccc3s2)C1 ZINC000558418680 327092857 /nfs/dbraw/zinc/09/28/57/327092857.db2.gz DMWQNQXPJQTTLT-CQSZACIVSA-N 2 1 288.460 3.721 20 0 CHADMP CCC(CC)(CC)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000090400288 327095953 /nfs/dbraw/zinc/09/59/53/327095953.db2.gz LVKQHCFORLIKBF-SOUVJXGZSA-N 2 1 254.462 3.521 20 0 CHADMP CCC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000313418303 327128635 /nfs/dbraw/zinc/12/86/35/327128635.db2.gz DFQMVFLPPSNRIY-KRWDZBQOSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093872949 327145743 /nfs/dbraw/zinc/14/57/43/327145743.db2.gz LOGWMIUDRHCOTL-LLVKDONJSA-N 2 1 288.357 3.683 20 0 CHADMP c1cc(C2CCC2)ccc1C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000559243722 327149564 /nfs/dbraw/zinc/14/95/64/327149564.db2.gz OFRSRJCUDSNYES-OALUTQOASA-N 2 1 284.447 3.671 20 0 CHADMP c1cc(C2CCC2)ccc1C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000559243722 327149566 /nfs/dbraw/zinc/14/95/66/327149566.db2.gz OFRSRJCUDSNYES-OALUTQOASA-N 2 1 284.447 3.671 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)CCCC(C)(C)C)CC1 ZINC000410389865 327190680 /nfs/dbraw/zinc/19/06/80/327190680.db2.gz WRMULKBAOOTDCT-UHFFFAOYSA-N 2 1 254.462 3.619 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000093639701 327198944 /nfs/dbraw/zinc/19/89/44/327198944.db2.gz JUCIMRYLWGGQRV-WBMJQRKESA-N 2 1 298.833 3.641 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000093639701 327198945 /nfs/dbraw/zinc/19/89/45/327198945.db2.gz JUCIMRYLWGGQRV-WBMJQRKESA-N 2 1 298.833 3.641 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000093639701 327198946 /nfs/dbraw/zinc/19/89/46/327198946.db2.gz JUCIMRYLWGGQRV-WBMJQRKESA-N 2 1 298.833 3.641 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000093639701 327198948 /nfs/dbraw/zinc/19/89/48/327198948.db2.gz JUCIMRYLWGGQRV-WBMJQRKESA-N 2 1 298.833 3.641 20 0 CHADMP CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000584258737 327202633 /nfs/dbraw/zinc/20/26/33/327202633.db2.gz FUMCIRSWFPGIAX-SJORKVTESA-N 2 1 268.489 3.626 20 0 CHADMP CC1=CC[C@@H]([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000556235671 327250546 /nfs/dbraw/zinc/25/05/46/327250546.db2.gz DIYJTFPVEISUCF-FGTMMUONSA-N 2 1 278.484 3.833 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(C3CC3)CCC2)C[C@@H]1c1ccccc1 ZINC000559787395 327262028 /nfs/dbraw/zinc/26/20/28/327262028.db2.gz ORPQPBSYNMLTEW-RTBURBONSA-N 2 1 298.474 3.992 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CC2(C3CC3)CCC2)C[C@@H]1c1ccccc1 ZINC000559787395 327262030 /nfs/dbraw/zinc/26/20/30/327262030.db2.gz ORPQPBSYNMLTEW-RTBURBONSA-N 2 1 298.474 3.992 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC000520955244 327286578 /nfs/dbraw/zinc/28/65/78/327286578.db2.gz GLDWVFSYZZKVFN-KRWDZBQOSA-N 2 1 288.479 3.806 20 0 CHADMP CC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCCC1 ZINC000387543324 327306836 /nfs/dbraw/zinc/30/68/36/327306836.db2.gz GYCCAPXWYJJRCJ-NPYXIHBLSA-N 2 1 264.457 3.560 20 0 CHADMP CC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCCC1 ZINC000387543324 327306837 /nfs/dbraw/zinc/30/68/37/327306837.db2.gz GYCCAPXWYJJRCJ-NPYXIHBLSA-N 2 1 264.457 3.560 20 0 CHADMP C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc(C2CCC2)cc1 ZINC000560525049 327318910 /nfs/dbraw/zinc/31/89/10/327318910.db2.gz DWLTXLDQOKTJCR-HNAYVOBHSA-N 2 1 286.463 3.726 20 0 CHADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C2CCC2)cc1 ZINC000560525049 327318911 /nfs/dbraw/zinc/31/89/11/327318911.db2.gz DWLTXLDQOKTJCR-HNAYVOBHSA-N 2 1 286.463 3.726 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C2CCC2)cc1 ZINC000560525049 327318915 /nfs/dbraw/zinc/31/89/15/327318915.db2.gz DWLTXLDQOKTJCR-HNAYVOBHSA-N 2 1 286.463 3.726 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(C2CCC2)cc1 ZINC000560525049 327318916 /nfs/dbraw/zinc/31/89/16/327318916.db2.gz DWLTXLDQOKTJCR-HNAYVOBHSA-N 2 1 286.463 3.726 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(C2CCC2)cc1 ZINC000560525049 327318919 /nfs/dbraw/zinc/31/89/19/327318919.db2.gz DWLTXLDQOKTJCR-HNAYVOBHSA-N 2 1 286.463 3.726 20 0 CHADMP C[C@H](CC[NH2+][C@H]1CC[C@@H]1C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000582128624 327358556 /nfs/dbraw/zinc/35/85/56/327358556.db2.gz YVWVEGBJJJHKKP-LZQZEXGQSA-N 2 1 286.463 3.675 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000165632710 327593879 /nfs/dbraw/zinc/59/38/79/327593879.db2.gz BGECIDLXRMMERZ-LSDHHAIUSA-N 2 1 277.456 3.776 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC[C@@H](C)c2ccccc2)C1 ZINC000194021914 329064870 /nfs/dbraw/zinc/06/48/70/329064870.db2.gz LGAADYDXDSBSLC-QZTJIDSGSA-N 2 1 288.479 3.844 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000194021914 329064872 /nfs/dbraw/zinc/06/48/72/329064872.db2.gz LGAADYDXDSBSLC-QZTJIDSGSA-N 2 1 288.479 3.844 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000194021914 329064874 /nfs/dbraw/zinc/06/48/74/329064874.db2.gz LGAADYDXDSBSLC-QZTJIDSGSA-N 2 1 288.479 3.844 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)sc2C)C1 ZINC000176272266 329174225 /nfs/dbraw/zinc/17/42/25/329174225.db2.gz GEIXLNFHLFOZPH-HNNXBMFYSA-N 2 1 280.481 3.529 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C)sc2C)C1 ZINC000176272266 329174227 /nfs/dbraw/zinc/17/42/27/329174227.db2.gz GEIXLNFHLFOZPH-HNNXBMFYSA-N 2 1 280.481 3.529 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C)sc2C)C1 ZINC000176272266 329174228 /nfs/dbraw/zinc/17/42/28/329174228.db2.gz GEIXLNFHLFOZPH-HNNXBMFYSA-N 2 1 280.481 3.529 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1CC1 ZINC000177345661 329186241 /nfs/dbraw/zinc/18/62/41/329186241.db2.gz QASZJJDVFWOXDI-GJZGRUSLSA-N 2 1 272.436 3.600 20 0 CHADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc2ccccc2n1 ZINC000178305598 329195921 /nfs/dbraw/zinc/19/59/21/329195921.db2.gz SWNIMJSTWPOJNM-XIRDDKMYSA-N 2 1 297.446 3.758 20 0 CHADMP CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000178968074 329203353 /nfs/dbraw/zinc/20/33/53/329203353.db2.gz WEESLDVBZYPWLW-RBUKOAKNSA-N 2 1 286.463 3.644 20 0 CHADMP CC[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1ccccc1F ZINC000180063705 329215084 /nfs/dbraw/zinc/21/50/84/329215084.db2.gz MCKJABHYNXKKOH-GOSISDBHSA-N 2 1 292.442 3.987 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1F ZINC000180458930 329217648 /nfs/dbraw/zinc/21/76/48/329217648.db2.gz KCJHEDITHXKRNT-QAPCUYQASA-N 2 1 292.442 3.987 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1F ZINC000180458930 329217649 /nfs/dbraw/zinc/21/76/49/329217649.db2.gz KCJHEDITHXKRNT-QAPCUYQASA-N 2 1 292.442 3.987 20 0 CHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2ccccc2F)C1 ZINC000180206852 329218476 /nfs/dbraw/zinc/21/84/76/329218476.db2.gz QJOSFVUZDJTGEM-YOEHRIQHSA-N 2 1 278.415 3.598 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2ccccc2F)C1 ZINC000180206852 329218478 /nfs/dbraw/zinc/21/84/78/329218478.db2.gz QJOSFVUZDJTGEM-YOEHRIQHSA-N 2 1 278.415 3.598 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1ccco1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183189014 329245472 /nfs/dbraw/zinc/24/54/72/329245472.db2.gz WDXZVXYCOFCCIO-QLFBSQMISA-N 2 1 276.424 3.583 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1ccco1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183189014 329245474 /nfs/dbraw/zinc/24/54/74/329245474.db2.gz WDXZVXYCOFCCIO-QLFBSQMISA-N 2 1 276.424 3.583 20 0 CHADMP CCC[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccccn1 ZINC000183952904 329255322 /nfs/dbraw/zinc/25/53/22/329255322.db2.gz SGROWWQHACOLDX-MRXNPFEDSA-N 2 1 289.467 3.634 20 0 CHADMP CC[C@@H]1CC[C@H]1[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000582983188 329293955 /nfs/dbraw/zinc/29/39/55/329293955.db2.gz XTTQYTBFXHESFG-QZTJIDSGSA-N 2 1 274.452 3.805 20 0 CHADMP Cc1occc1CNCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000321246242 329333453 /nfs/dbraw/zinc/33/34/53/329333453.db2.gz NRRHAJUUEXGFCU-HNNXBMFYSA-N 2 1 286.419 3.588 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CCCCCOC2CCCCC2)CC[N@H+]1C ZINC000162687944 330109681 /nfs/dbraw/zinc/10/96/81/330109681.db2.gz OZFQVLSBSWAFEV-DLBZAZTESA-N 2 1 296.499 3.578 20 0 CHADMP c1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc(C2CC2)c1 ZINC000422550836 330149006 /nfs/dbraw/zinc/14/90/06/330149006.db2.gz BZTDUNDNWPOYME-RBUKOAKNSA-N 2 1 284.447 3.528 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccncc1 ZINC000422785541 330154879 /nfs/dbraw/zinc/15/48/79/330154879.db2.gz PIHIKSAWTXLFIF-FHWLQOOXSA-N 2 1 295.430 3.616 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(Cl)ccc1Cl ZINC000422781241 330154997 /nfs/dbraw/zinc/15/49/97/330154997.db2.gz LFEPIZJWDVVFSF-ZYHUDNBSSA-N 2 1 287.234 3.786 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccncc1 ZINC000422785540 330155004 /nfs/dbraw/zinc/15/50/04/330155004.db2.gz PIHIKSAWTXLFIF-CEXWTWQISA-N 2 1 295.430 3.616 20 0 CHADMP CCc1ccc(C(C)(C)C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000422841464 330157307 /nfs/dbraw/zinc/15/73/07/330157307.db2.gz VXEJJFHPIAVFIC-CQSZACIVSA-N 2 1 297.446 3.685 20 0 CHADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000422850520 330157555 /nfs/dbraw/zinc/15/75/55/330157555.db2.gz VZFSPIZTKJXCIC-KFWWJZLASA-N 2 1 294.439 3.612 20 0 CHADMP Fc1ccc([C@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2ccccc2)cc1 ZINC000422932780 330161287 /nfs/dbraw/zinc/16/12/87/330161287.db2.gz GUQKNRDOCLCLJI-RTBURBONSA-N 2 1 298.405 3.647 20 0 CHADMP c1ccc([C@H]2C[C@H]([NH2+]CCC3=CCCCC3)CC[NH2+]2)cc1 ZINC000422963242 330164463 /nfs/dbraw/zinc/16/44/63/330164463.db2.gz IAGRXHZYCMHCGP-RTBURBONSA-N 2 1 284.447 3.960 20 0 CHADMP Cc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)ccc1Cl ZINC000423040729 330166520 /nfs/dbraw/zinc/16/65/20/330166520.db2.gz UZCOBYQDASGDEX-IAGOWNOFSA-N 2 1 286.806 3.883 20 0 CHADMP C[C@H]([NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423095515 330169711 /nfs/dbraw/zinc/16/97/11/330169711.db2.gz MQWAQTRQZGPKID-ZFZWDLNGSA-N 2 1 292.854 3.706 20 0 CHADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCCc3c(F)cccc32)c2ccccc21 ZINC000423149505 330172743 /nfs/dbraw/zinc/17/27/43/330172743.db2.gz XNLIOCMRKGSLSV-QYZOEREBSA-N 2 1 296.389 3.938 20 0 CHADMP CCC[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccccc1 ZINC000423180593 330175323 /nfs/dbraw/zinc/17/53/23/330175323.db2.gz BEWBCUKFLVZMCE-LJQANCHMSA-N 2 1 297.446 3.692 20 0 CHADMP [NH3+]CCC[NH2+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000423186920 330175661 /nfs/dbraw/zinc/17/56/61/330175661.db2.gz KOQIKYRTQOFYMP-INIZCTEOSA-N 2 1 292.785 3.507 20 0 CHADMP CC[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccc(C)c1 ZINC000423194212 330176222 /nfs/dbraw/zinc/17/62/22/330176222.db2.gz YNQGQGZFOWTJMD-LJQANCHMSA-N 2 1 297.446 3.611 20 0 CHADMP [NH3+]C1(C[NH2+][C@H]2CCCOc3ccccc32)CCCCCC1 ZINC000423203197 330176818 /nfs/dbraw/zinc/17/68/18/330176818.db2.gz RVGIQVOGABGHQC-INIZCTEOSA-N 2 1 288.435 3.542 20 0 CHADMP [NH3+]C[C@H]([NH2+][C@H]1CC[C@H](c2ccccc2)C1)C1CCCCC1 ZINC000423257738 330183342 /nfs/dbraw/zinc/18/33/42/330183342.db2.gz ADROUVYVOBUIGX-FHWLQOOXSA-N 2 1 286.463 3.820 20 0 CHADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423259990 330183768 /nfs/dbraw/zinc/18/37/68/330183768.db2.gz GJISUAGYCSALHV-KXBFYZLASA-N 2 1 297.446 3.773 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000423259883 330183823 /nfs/dbraw/zinc/18/38/23/330183823.db2.gz FWNJAOJOYHELRN-ZYHUDNBSSA-N 2 1 272.795 3.503 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423260681 330183849 /nfs/dbraw/zinc/18/38/49/330183849.db2.gz IBKIJYXWVUEVJN-DJIMGWMZSA-N 2 1 294.870 3.939 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000423266839 330184119 /nfs/dbraw/zinc/18/41/19/330184119.db2.gz SIXCPLKIRBVHIN-DVOMOZLQSA-N 2 1 282.859 3.795 20 0 CHADMP CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000423264511 330184125 /nfs/dbraw/zinc/18/41/25/330184125.db2.gz CCUYOZMTEWARBQ-CJNGLKHVSA-N 2 1 280.481 3.821 20 0 CHADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cccs1 ZINC000423267853 330184293 /nfs/dbraw/zinc/18/42/93/330184293.db2.gz UBXHKLQQBWASQG-KGLIPLIRSA-N 2 1 266.454 3.696 20 0 CHADMP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1Cl ZINC000423281291 330185379 /nfs/dbraw/zinc/18/53/79/330185379.db2.gz UDAIFEVIDAWGPN-NHYWBVRUSA-N 2 1 296.842 3.515 20 0 CHADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(-c2ccccc2F)s1 ZINC000423287472 330185994 /nfs/dbraw/zinc/18/59/94/330185994.db2.gz MNBRWUUAYVAPCY-LLVKDONJSA-N 2 1 292.423 3.942 20 0 CHADMP CC(C)Oc1ccc([C@H](C)[NH2+]CC(C)(C)[NH3+])cc1Cl ZINC000423287918 330186123 /nfs/dbraw/zinc/18/61/23/330186123.db2.gz PIKIFTCKDNNVKJ-NSHDSACASA-N 2 1 284.831 3.515 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cc(C)sc1C ZINC000423297302 330188711 /nfs/dbraw/zinc/18/87/11/330188711.db2.gz JRNKBWIRJWWRDE-DGCLKSJQSA-N 2 1 254.443 3.533 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000423303797 330188978 /nfs/dbraw/zinc/18/89/78/330188978.db2.gz XNBOHTTXMUMCLG-IKGGRYGDSA-N 2 1 274.452 3.676 20 0 CHADMP [NH3+]C1(C[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)CCC1 ZINC000423315517 330189811 /nfs/dbraw/zinc/18/98/11/330189811.db2.gz AVMFFPWPNNIDAC-AWEZNQCLSA-N 2 1 299.245 3.916 20 0 CHADMP [NH3+]C1(C[NH2+][C@@H](Cc2ccccc2F)c2ccccc2)CCC1 ZINC000423317672 330189975 /nfs/dbraw/zinc/18/99/75/330189975.db2.gz CWPQTMCZQRUJJE-SFHVURJKSA-N 2 1 298.405 3.581 20 0 CHADMP Cc1ccc2cc([C@H](C)[NH2+]C[C@]3(C)CCC[NH2+]C3)oc2c1 ZINC000423327151 330190613 /nfs/dbraw/zinc/19/06/13/330190613.db2.gz CXSXKBVHBQKWQB-KBXCAEBGSA-N 2 1 286.419 3.782 20 0 CHADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(-c2ccccc2F)s1 ZINC000423333351 330191489 /nfs/dbraw/zinc/19/14/89/330191489.db2.gz RLYUWNFQQFQIAT-GHMZBOCLSA-N 2 1 278.396 3.552 20 0 CHADMP CC(C)[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(Cl)cc1F ZINC000423367921 330194688 /nfs/dbraw/zinc/19/46/88/330194688.db2.gz AUHDTOYEKQRYGT-PVXIVEMSSA-N 2 1 298.833 3.906 20 0 CHADMP Fc1ccc([C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000423369767 330195008 /nfs/dbraw/zinc/19/50/08/330195008.db2.gz TXNLJPDAKKMCNL-MOPGFXCFSA-N 2 1 298.405 3.647 20 0 CHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000423402520 330196377 /nfs/dbraw/zinc/19/63/77/330196377.db2.gz XVSZTESZXWFEQG-UBHSHLNASA-N 2 1 272.392 3.532 20 0 CHADMP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000423387648 330199903 /nfs/dbraw/zinc/19/99/03/330199903.db2.gz HWMOBRPCMGCKKI-HEHGZKQESA-N 2 1 286.419 3.644 20 0 CHADMP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000423387652 330200008 /nfs/dbraw/zinc/20/00/08/330200008.db2.gz HWMOBRPCMGCKKI-XEZPLFJOSA-N 2 1 286.419 3.644 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1cccc(Cl)c1F ZINC000423390086 330200426 /nfs/dbraw/zinc/20/04/26/330200426.db2.gz VRJYYVOKYBYGLR-MJVIPROJSA-N 2 1 284.806 3.660 20 0 CHADMP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000423436611 330201407 /nfs/dbraw/zinc/20/14/07/330201407.db2.gz FKHVSCRAOZTZRS-ILXRZTDVSA-N 2 1 298.430 3.749 20 0 CHADMP C[C@@H]([NH2+][C@H](c1cc2ccccc2o1)C(C)(C)C)[C@H](C)[NH3+] ZINC000423449466 330202566 /nfs/dbraw/zinc/20/25/66/330202566.db2.gz RNAKHBREBQPDCZ-HWWQOWPSSA-N 2 1 274.408 3.845 20 0 CHADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](c1cc2ccccc2o1)C(C)(C)C ZINC000423449467 330202582 /nfs/dbraw/zinc/20/25/82/330202582.db2.gz RNAKHBREBQPDCZ-MKBNYLNASA-N 2 1 274.408 3.845 20 0 CHADMP CCC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423451877 330202819 /nfs/dbraw/zinc/20/28/19/330202819.db2.gz VQBVNQTYWMPJNL-WDMOLILDSA-N 2 1 288.357 3.872 20 0 CHADMP CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000423454758 330203477 /nfs/dbraw/zinc/20/34/77/330203477.db2.gz ZNQHNWFFUQZVJR-KKFJDGPESA-N 2 1 275.223 3.770 20 0 CHADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1csc(-c2csc(C)n2)c1 ZINC000423470378 330204987 /nfs/dbraw/zinc/20/49/87/330204987.db2.gz PGVGBDYMTJVUTL-SKDRFNHKSA-N 2 1 295.477 3.568 20 0 CHADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(-c2cccs2)cc1 ZINC000423484739 330206659 /nfs/dbraw/zinc/20/66/59/330206659.db2.gz YWVLGMQJCRQDQS-DOMZBBRYSA-N 2 1 274.433 3.803 20 0 CHADMP CCC[C@@H]([NH2+]C[C@@H]([NH3+])CC)c1ccc(Cl)cc1 ZINC000423486003 330206878 /nfs/dbraw/zinc/20/68/78/330206878.db2.gz ZJBMOBAWOMNXRT-UONOGXRCSA-N 2 1 254.805 3.508 20 0 CHADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cc2ccccc2o1 ZINC000423534915 330210677 /nfs/dbraw/zinc/21/06/77/330210677.db2.gz WTITUKZCUHJTTR-WFASDCNBSA-N 2 1 272.392 3.601 20 0 CHADMP C[C@@H](C[NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(F)cc1 ZINC000527116832 330223214 /nfs/dbraw/zinc/22/32/14/330223214.db2.gz LAUAPSUSCLHHEP-HOTGVXAUSA-N 2 1 292.442 3.783 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC000536830103 330228669 /nfs/dbraw/zinc/22/86/69/330228669.db2.gz AWSQFOITCZIDLG-CVEARBPZSA-N 2 1 292.442 3.844 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000527682511 330271054 /nfs/dbraw/zinc/27/10/54/330271054.db2.gz HJZAHRHFUSROGQ-VQTJNVASSA-N 2 1 298.474 3.954 20 0 CHADMP Cc1cccc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C(C)C)c1 ZINC000527862044 330285251 /nfs/dbraw/zinc/28/52/51/330285251.db2.gz FROABDXSUNNWAP-BPQIPLTHSA-N 2 1 274.452 3.764 20 0 CHADMP Cc1cccc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C(C)C)c1 ZINC000527862044 330285252 /nfs/dbraw/zinc/28/52/52/330285252.db2.gz FROABDXSUNNWAP-BPQIPLTHSA-N 2 1 274.452 3.764 20 0 CHADMP CC[C@@H](C)c1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000527848540 330287951 /nfs/dbraw/zinc/28/79/51/330287951.db2.gz RQSLICYJLITQKS-HUUCEWRRSA-N 2 1 274.452 3.945 20 0 CHADMP C1=CCC(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000527949507 330294344 /nfs/dbraw/zinc/29/43/44/330294344.db2.gz NWLDXTWLDZTNSI-ACDBMABISA-N 2 1 296.458 3.738 20 0 CHADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C1c2ccccc2-c2ccccc21 ZINC000424287155 330334211 /nfs/dbraw/zinc/33/42/11/330334211.db2.gz IROLUNNXVNFGTB-QZTJIDSGSA-N 2 1 278.399 3.616 20 0 CHADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000424373016 330348321 /nfs/dbraw/zinc/34/83/21/330348321.db2.gz IZMHAJBIHQPKJI-MGPQQGTHSA-N 2 1 296.867 3.736 20 0 CHADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CC(c2ccccc2C)C1 ZINC000045692263 330348757 /nfs/dbraw/zinc/34/87/57/330348757.db2.gz YMZSPPURNXBVCI-GTPINHCMSA-N 2 1 274.452 3.561 20 0 CHADMP CC[C@@H](C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424383696 330349519 /nfs/dbraw/zinc/34/95/19/330349519.db2.gz UIQVAHOJIMOOHM-SJORKVTESA-N 2 1 286.463 3.644 20 0 CHADMP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000119150036 330371330 /nfs/dbraw/zinc/37/13/30/330371330.db2.gz IFVMATPREAFGIY-DKGMDFAASA-N 2 1 292.854 3.675 20 0 CHADMP CC(C)CC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CCC1 ZINC000119300429 330371791 /nfs/dbraw/zinc/37/17/91/330371791.db2.gz XATFAQAYZVTNRD-OWCLPIDISA-N 2 1 266.473 3.521 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC000090585379 330393772 /nfs/dbraw/zinc/39/37/72/330393772.db2.gz CVSHIRQZOZOBBN-HOTGVXAUSA-N 2 1 278.440 3.607 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)o1 ZINC000090585379 330393773 /nfs/dbraw/zinc/39/37/73/330393773.db2.gz CVSHIRQZOZOBBN-HOTGVXAUSA-N 2 1 278.440 3.607 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)Nc1cc[nH+]c2ccsc21 ZINC000432145923 330593842 /nfs/dbraw/zinc/59/38/42/330593842.db2.gz XUBNTSLZIWVJRV-CYBMUJFWSA-N 2 1 291.464 3.641 20 0 CHADMP CC[C@H](C[NH2+]CC[C@H](C)c1ccccc1)[NH+]1CCCC1 ZINC000447820439 330877875 /nfs/dbraw/zinc/87/78/75/330877875.db2.gz GYFBVLLIXNEUPL-FUHWJXTLSA-N 2 1 274.452 3.644 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)[C@H]1CCCC[C@H]1C ZINC000449072093 330897015 /nfs/dbraw/zinc/89/70/15/330897015.db2.gz JEUYWDHPLDAPGQ-ANQUJSFKSA-N 2 1 277.456 3.632 20 0 CHADMP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@H]1CCC[C@H](C)C1 ZINC000449766802 330948593 /nfs/dbraw/zinc/94/85/93/330948593.db2.gz ORYZMKDHWMAPCO-IHRRRGAJSA-N 2 1 295.496 3.509 20 0 CHADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000163259526 331010590 /nfs/dbraw/zinc/01/05/90/331010590.db2.gz CVODNTPXIGSOIX-GHMZBOCLSA-N 2 1 294.851 3.724 20 0 CHADMP CCC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)C(C)(C)C ZINC000451442132 331029700 /nfs/dbraw/zinc/02/97/00/331029700.db2.gz UGLSNAPCFNETGD-HIFRSBDPSA-N 2 1 265.445 3.632 20 0 CHADMP C[C@H](CCCC(F)(F)F)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000163425843 331037839 /nfs/dbraw/zinc/03/78/39/331037839.db2.gz VJRFAEPVCVHLPG-GFCCVEGCSA-N 2 1 280.378 3.572 20 0 CHADMP C[C@H](CCCC(F)(F)F)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000163425843 331037840 /nfs/dbraw/zinc/03/78/40/331037840.db2.gz VJRFAEPVCVHLPG-GFCCVEGCSA-N 2 1 280.378 3.572 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451857410 331045045 /nfs/dbraw/zinc/04/50/45/331045045.db2.gz QNCRQSFLBRXVTL-KRWDZBQOSA-N 2 1 299.418 3.792 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451857410 331045046 /nfs/dbraw/zinc/04/50/46/331045046.db2.gz QNCRQSFLBRXVTL-KRWDZBQOSA-N 2 1 299.418 3.792 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H](C1CC1)C1CCC1 ZINC000453068174 331086116 /nfs/dbraw/zinc/08/61/16/331086116.db2.gz XWGZGDVWHRYGCF-YJBOKZPZSA-N 2 1 278.484 3.809 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2sccc21 ZINC000453076621 331086896 /nfs/dbraw/zinc/08/68/96/331086896.db2.gz JIVCWDKBTGFLFR-IOASZLSFSA-N 2 1 290.476 3.760 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000453178868 331097726 /nfs/dbraw/zinc/09/77/26/331097726.db2.gz UFJZRCNPVNRYQE-QAPCUYQASA-N 2 1 278.484 3.523 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C2CC2)c1 ZINC000453371895 331124218 /nfs/dbraw/zinc/12/42/18/331124218.db2.gz WCNPMGLMFVYLKV-RIJRJKGBSA-N 2 1 284.447 3.840 20 0 CHADMP CCOc1ccccc1[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453397478 331128164 /nfs/dbraw/zinc/12/81/64/331128164.db2.gz JMNCTMOPOSZGLY-HNNXBMFYSA-N 2 1 290.451 3.610 20 0 CHADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1nccc2ccccc21 ZINC000453402177 331128851 /nfs/dbraw/zinc/12/88/51/331128851.db2.gz NHEBYDGALNFRGY-HNNXBMFYSA-N 2 1 297.446 3.760 20 0 CHADMP CSc1ccc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000453405866 331129271 /nfs/dbraw/zinc/12/92/71/331129271.db2.gz QPTVYNKLZNAKOH-CQSZACIVSA-N 2 1 292.492 3.934 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@H]1CCc2cc(Cl)ccc21)C1CC1 ZINC000453410801 331129836 /nfs/dbraw/zinc/12/98/36/331129836.db2.gz VHGZDEZESWWKBE-KRWDZBQOSA-N 2 1 292.854 3.791 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc2ccccc2o1 ZINC000453413642 331130165 /nfs/dbraw/zinc/13/01/65/331130165.db2.gz IBRQQKSCDCLZNX-CQSZACIVSA-N 2 1 286.419 3.958 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@H](c1ccccc1)C1CC1)C1CC1 ZINC000453420180 331130478 /nfs/dbraw/zinc/13/04/78/331130478.db2.gz ZLPJEAKRBRBACT-GOSISDBHSA-N 2 1 272.436 3.602 20 0 CHADMP Cc1cccc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c1C ZINC000453418624 331130505 /nfs/dbraw/zinc/13/05/05/331130505.db2.gz YNUOFVSZIFBMMU-INIZCTEOSA-N 2 1 274.452 3.828 20 0 CHADMP C/C(=C\c1ccccc1)C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453594946 331135392 /nfs/dbraw/zinc/13/53/92/331135392.db2.gz ITRNJKQGAVFGGX-JQIJEIRASA-N 2 1 272.436 3.554 20 0 CHADMP Cc1cc(C[NH2+]CCCC[N@H+](C)C2CC2)ccc1Cl ZINC000453598191 331135664 /nfs/dbraw/zinc/13/56/64/331135664.db2.gz PINQELFFLQBJPJ-UHFFFAOYSA-N 2 1 280.843 3.612 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(C3CC3)cc2)CC1 ZINC000459314758 331275913 /nfs/dbraw/zinc/27/59/13/331275913.db2.gz QNNSPPGZRAZSQX-UHFFFAOYSA-N 2 1 286.463 3.869 20 0 CHADMP Cc1ccccc1[C@H]([NH2+]CCc1c[nH+]cn1C)C(C)(C)C ZINC000459384897 331279367 /nfs/dbraw/zinc/27/93/67/331279367.db2.gz IQMUERHWXDOEIP-KRWDZBQOSA-N 2 1 285.435 3.648 20 0 CHADMP c1ccc(C2(C[NH2+]C3CC[NH+](C4CC4)CC3)CCCC2)cc1 ZINC000459384526 331279393 /nfs/dbraw/zinc/27/93/93/331279393.db2.gz HKWPQNNGXURPNP-UHFFFAOYSA-N 2 1 298.474 3.715 20 0 CHADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1F ZINC000459724240 331295843 /nfs/dbraw/zinc/29/58/43/331295843.db2.gz AKIMHFIXFLXIJE-RHSMWYFYSA-N 2 1 278.415 3.598 20 0 CHADMP C[C@H](CCC1CCCC1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459727058 331296120 /nfs/dbraw/zinc/29/61/20/331296120.db2.gz CCVHETRXRAHRMD-NVXWUHKLSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@@H](C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000459727074 331296174 /nfs/dbraw/zinc/29/61/74/331296174.db2.gz CDOBOPAMGNWQFT-LSDHHAIUSA-N 2 1 294.870 3.765 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@@H](C)C2 ZINC000459735050 331296866 /nfs/dbraw/zinc/29/68/66/331296866.db2.gz HJNYZVTYCQXXNT-FRQCXROJSA-N 2 1 286.463 3.550 20 0 CHADMP C[C@@H]1[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C[C@@H]1c1ccccc1 ZINC000459793124 331301164 /nfs/dbraw/zinc/30/11/64/331301164.db2.gz SVGFJPTVOUVWLN-OGWHTMIXSA-N 2 1 286.463 3.500 20 0 CHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H]2c2ccccc2)C1 ZINC000459793172 331301175 /nfs/dbraw/zinc/30/11/75/331301175.db2.gz SYTYUPPNPVIUQX-NZSAHSFTSA-N 2 1 286.463 3.644 20 0 CHADMP CCC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000459800601 331301597 /nfs/dbraw/zinc/30/15/97/331301597.db2.gz ZUMVXXOSWIECOV-NVXWUHKLSA-N 2 1 266.473 3.667 20 0 CHADMP CCC(CC)(CC)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459800734 331301609 /nfs/dbraw/zinc/30/16/09/331301609.db2.gz ZZUORBZWSJMFPO-HNNXBMFYSA-N 2 1 254.462 3.524 20 0 CHADMP CC[N@H+](CC[NH2+]C1CCC(C(C)C)CC1)C(C)C ZINC000462774330 331328404 /nfs/dbraw/zinc/32/84/04/331328404.db2.gz FTJKAMVDFPNSJA-UHFFFAOYSA-N 2 1 254.462 3.521 20 0 CHADMP CC[N@@H+](CC[NH2+]C1CCC(C(C)C)CC1)C(C)C ZINC000462774330 331328405 /nfs/dbraw/zinc/32/84/05/331328405.db2.gz FTJKAMVDFPNSJA-UHFFFAOYSA-N 2 1 254.462 3.521 20 0 CHADMP C(CC[NH+]1C[C@@H]2CCC[C@H]2C1)CC[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000464874602 331372468 /nfs/dbraw/zinc/37/24/68/331372468.db2.gz BTHKLAIQFPBCCJ-CADBVGFASA-N 2 1 290.495 3.621 20 0 CHADMP Cn1c[nH+]cc1CC[NH2+][C@H](CC1CCCC1)c1ccccc1 ZINC000471772708 331519525 /nfs/dbraw/zinc/51/95/25/331519525.db2.gz PSEDRGZLBQTLOV-LJQANCHMSA-N 2 1 297.446 3.874 20 0 CHADMP C[C@H]1C[C@H]1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000488414448 332005540 /nfs/dbraw/zinc/00/55/40/332005540.db2.gz FDNSSRUNMYGHDN-GJYPPUQNSA-N 2 1 286.463 3.664 20 0 CHADMP C[C@@H]1C[C@H]1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000488415764 332005687 /nfs/dbraw/zinc/00/56/87/332005687.db2.gz HFQSVEKKBTVFCZ-GJYPPUQNSA-N 2 1 286.463 3.807 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000488422105 332006267 /nfs/dbraw/zinc/00/62/67/332006267.db2.gz UOXPXFSOCGUORR-ZAWLATJESA-N 2 1 286.463 3.533 20 0 CHADMP CC[C@]1(C)CC[N@@H+](CCC[NH+]2CC[C@](C)(CC)C2)C1 ZINC000489297754 332045862 /nfs/dbraw/zinc/04/58/62/332045862.db2.gz VOXANJWXDKMFNV-CALCHBBNSA-N 2 1 266.473 3.621 20 0 CHADMP CC[C@]1(C)CC[NH+](CCC[N@@H+]2CC[C@](C)(CC)C2)C1 ZINC000489297754 332045864 /nfs/dbraw/zinc/04/58/64/332045864.db2.gz VOXANJWXDKMFNV-CALCHBBNSA-N 2 1 266.473 3.621 20 0 CHADMP CC[C@]1(C)CC[NH+](CCC[N@H+]2CC[C@](C)(CC)C2)C1 ZINC000489297754 332045865 /nfs/dbraw/zinc/04/58/65/332045865.db2.gz VOXANJWXDKMFNV-CALCHBBNSA-N 2 1 266.473 3.621 20 0 CHADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCC[NH+](C)C)CCCO2 ZINC000489548703 332058945 /nfs/dbraw/zinc/05/89/45/332058945.db2.gz GEBQZXWMJRJVEV-KRWDZBQOSA-N 2 1 290.451 3.565 20 0 CHADMP Cc1cccc(N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000336657172 335109972 /nfs/dbraw/zinc/10/99/72/335109972.db2.gz MSQVCAMFCVRKJD-AEFFLSMTSA-N 2 1 295.430 3.713 20 0 CHADMP Cc1cccc(N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000336657172 335109973 /nfs/dbraw/zinc/10/99/73/335109973.db2.gz MSQVCAMFCVRKJD-AEFFLSMTSA-N 2 1 295.430 3.713 20 0 CHADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000575737804 335110472 /nfs/dbraw/zinc/11/04/72/335110472.db2.gz MYEYUSJNWYYAPY-VCDKRKBESA-N 2 1 298.883 3.707 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000575737804 335110473 /nfs/dbraw/zinc/11/04/73/335110473.db2.gz MYEYUSJNWYYAPY-VCDKRKBESA-N 2 1 298.883 3.707 20 0 CHADMP C[C@H](c1ccccc1Cl)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248181370 334296638 /nfs/dbraw/zinc/29/66/38/334296638.db2.gz WLLVZUHAFHGNJN-CPUCHLNUSA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248181370 334296640 /nfs/dbraw/zinc/29/66/40/334296640.db2.gz WLLVZUHAFHGNJN-CPUCHLNUSA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248181370 334296642 /nfs/dbraw/zinc/29/66/42/334296642.db2.gz WLLVZUHAFHGNJN-CPUCHLNUSA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1ccccc1Cl)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248181370 334296643 /nfs/dbraw/zinc/29/66/43/334296643.db2.gz WLLVZUHAFHGNJN-CPUCHLNUSA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1ccccc1Cl)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248181370 334296645 /nfs/dbraw/zinc/29/66/45/334296645.db2.gz WLLVZUHAFHGNJN-CPUCHLNUSA-N 2 1 292.854 3.817 20 0 CHADMP CC(C)CC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CCC1 ZINC000513697426 333033229 /nfs/dbraw/zinc/03/32/29/333033229.db2.gz NNDXPTVZOQICAB-BBWFWOEESA-N 2 1 278.484 3.665 20 0 CHADMP C[C@H]([NH2+][C@H]1CCC1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309710273 333047584 /nfs/dbraw/zinc/04/75/84/333047584.db2.gz JSMRFEBMYZTONT-SZMVWBNQSA-N 2 1 286.463 3.675 20 0 CHADMP CCC(CC)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309759385 333048932 /nfs/dbraw/zinc/04/89/32/333048932.db2.gz CQCQKKBNDKBEIT-APWZRJJASA-N 2 1 288.479 3.923 20 0 CHADMP CC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000310027205 333052998 /nfs/dbraw/zinc/05/29/98/333052998.db2.gz VWQGKXUOUCKLAC-WMZOPIPTSA-N 2 1 274.452 3.677 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000514077355 333065021 /nfs/dbraw/zinc/06/50/21/333065021.db2.gz PSZOSIALXXLHOR-AEFFLSMTSA-N 2 1 274.452 3.596 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCC12CC2 ZINC000516787266 333082624 /nfs/dbraw/zinc/08/26/24/333082624.db2.gz UDDRGAZRHMJKOH-HOTGVXAUSA-N 2 1 264.457 3.563 20 0 CHADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(C2CC2)cc1 ZINC000521266316 333116846 /nfs/dbraw/zinc/11/68/46/333116846.db2.gz BHXFJIZWLGQUFU-AWEZNQCLSA-N 2 1 283.419 3.581 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183186609 333119279 /nfs/dbraw/zinc/11/92/79/333119279.db2.gz SRSNCUSBUFXBTA-YHUYYLMFSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cccc(O)c1 ZINC000185158896 333136161 /nfs/dbraw/zinc/13/61/61/333136161.db2.gz PIRKZAOIEIUCRA-UHFFFAOYSA-N 2 1 290.451 3.527 20 0 CHADMP C[N@H+](CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C1CCCC1 ZINC000222447527 333193728 /nfs/dbraw/zinc/19/37/28/333193728.db2.gz FANOSNOPINGPIO-OLZOCXBDSA-N 2 1 292.389 3.572 20 0 CHADMP C[N@@H+](CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C1CCCC1 ZINC000222447527 333193729 /nfs/dbraw/zinc/19/37/29/333193729.db2.gz FANOSNOPINGPIO-OLZOCXBDSA-N 2 1 292.389 3.572 20 0 CHADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222827254 333200731 /nfs/dbraw/zinc/20/07/31/333200731.db2.gz NSNOBHHMLOTPLY-SOLBZPMBSA-N 2 1 288.479 3.815 20 0 CHADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222827254 333200732 /nfs/dbraw/zinc/20/07/32/333200732.db2.gz NSNOBHHMLOTPLY-SOLBZPMBSA-N 2 1 288.479 3.815 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000195139175 333246321 /nfs/dbraw/zinc/24/63/21/333246321.db2.gz SJCHYIDZSYCTPJ-WBVHZDCISA-N 2 1 274.452 3.533 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000226918433 333272215 /nfs/dbraw/zinc/27/22/15/333272215.db2.gz IVXJPYJDGXAGGP-DYVFJYSZSA-N 2 1 292.854 3.723 20 0 CHADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(F)cc1F ZINC000522546476 333289502 /nfs/dbraw/zinc/28/95/02/333289502.db2.gz NQPPCBDILBSTRM-MLGOLLRUSA-N 2 1 298.421 3.982 20 0 CHADMP CCC(C)(C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000230641266 333319204 /nfs/dbraw/zinc/31/92/04/333319204.db2.gz DEJKBMRMMANKGN-UHFFFAOYSA-N 2 1 288.479 3.719 20 0 CHADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000230769312 333321487 /nfs/dbraw/zinc/32/14/87/333321487.db2.gz XJNKWYXIMZNOQY-YESZJQIVSA-N 2 1 278.484 3.665 20 0 CHADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000230769026 333321533 /nfs/dbraw/zinc/32/15/33/333321533.db2.gz IBUHEJKXBBFAES-DOTOQJQBSA-N 2 1 278.484 3.808 20 0 CHADMP Cc1ccc(C)c(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000524156305 333354678 /nfs/dbraw/zinc/35/46/78/333354678.db2.gz QPXMKUAVQUNBAT-UHFFFAOYSA-N 2 1 288.479 3.856 20 0 CHADMP c1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CC=CCC3)CC2)cc1 ZINC000236610944 333374034 /nfs/dbraw/zinc/37/40/34/333374034.db2.gz PHIWSJIQIXYGNT-IBGZPJMESA-N 2 1 298.474 3.639 20 0 CHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000237474949 333379694 /nfs/dbraw/zinc/37/96/94/333379694.db2.gz HDNFLOXZISAEBP-CVEARBPZSA-N 2 1 286.463 3.807 20 0 CHADMP C[N@@H+](CCc1ccc2ccccc2c1)C[C@H]1CCC[NH+](C)C1 ZINC000525002656 333394948 /nfs/dbraw/zinc/39/49/48/333394948.db2.gz AIXKTTLZXOHXJT-SFHVURJKSA-N 2 1 296.458 3.656 20 0 CHADMP C[C@H]([NH2+]C[C@H](C1CCCCC1)[NH+](C)C)C1CC(F)(F)C1 ZINC000529533717 333494176 /nfs/dbraw/zinc/49/41/76/333494176.db2.gz TVRNPHHALPOUPL-SWLSCSKDSA-N 2 1 288.426 3.520 20 0 CHADMP c1csc([C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C2CCCC2)c1 ZINC000530222932 333528962 /nfs/dbraw/zinc/52/89/62/333528962.db2.gz SBDDQWMAPRMXHS-HOTGVXAUSA-N 2 1 290.476 3.854 20 0 CHADMP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccccc1F ZINC000543416426 333872865 /nfs/dbraw/zinc/87/28/65/333872865.db2.gz KRFBKCNGBGABDB-LSDHHAIUSA-N 2 1 278.415 3.741 20 0 CHADMP C[C@@H](CC[NH2+][C@@H](C)c1ccccc1F)[NH+]1CCCCC1 ZINC000543416424 333873009 /nfs/dbraw/zinc/87/30/09/333873009.db2.gz KRFBKCNGBGABDB-GJZGRUSLSA-N 2 1 278.415 3.741 20 0 CHADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C(C)(C)C)s1 ZINC000564324183 334100091 /nfs/dbraw/zinc/10/00/91/334100091.db2.gz FZHZGELWIQFXLH-DZGCQCFKSA-N 2 1 294.508 3.818 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C(C)(C)C)s1 ZINC000564324183 334100092 /nfs/dbraw/zinc/10/00/92/334100092.db2.gz FZHZGELWIQFXLH-DZGCQCFKSA-N 2 1 294.508 3.818 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(C(C)(C)C)s1 ZINC000564324183 334100093 /nfs/dbraw/zinc/10/00/93/334100093.db2.gz FZHZGELWIQFXLH-DZGCQCFKSA-N 2 1 294.508 3.818 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(C(C)(C)C)s1 ZINC000564324183 334100095 /nfs/dbraw/zinc/10/00/95/334100095.db2.gz FZHZGELWIQFXLH-DZGCQCFKSA-N 2 1 294.508 3.818 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000136391153 334153814 /nfs/dbraw/zinc/15/38/14/334153814.db2.gz RVHPHEXMHNKFNF-IBGZPJMESA-N 2 1 297.446 3.635 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000136391153 334153815 /nfs/dbraw/zinc/15/38/15/334153815.db2.gz RVHPHEXMHNKFNF-IBGZPJMESA-N 2 1 297.446 3.635 20 0 CHADMP CC(C)[NH+](CC[NH2+]C1CCC(C)(C)CC1)C(C)C ZINC000079619725 334158277 /nfs/dbraw/zinc/15/82/77/334158277.db2.gz CPQYGGPRTBWZCG-UHFFFAOYSA-N 2 1 254.462 3.664 20 0 CHADMP C[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)C1CCCCC1 ZINC000549471890 334194992 /nfs/dbraw/zinc/19/49/92/334194992.db2.gz PJWIWNRNQWTHEO-NXHRZFHOSA-N 2 1 278.484 3.619 20 0 CHADMP C[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)C1CCCCC1 ZINC000549471890 334194994 /nfs/dbraw/zinc/19/49/94/334194994.db2.gz PJWIWNRNQWTHEO-NXHRZFHOSA-N 2 1 278.484 3.619 20 0 CHADMP C[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)C1CCCCC1 ZINC000549471890 334194995 /nfs/dbraw/zinc/19/49/95/334194995.db2.gz PJWIWNRNQWTHEO-NXHRZFHOSA-N 2 1 278.484 3.619 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(C)cc(C)c2)C1 ZINC000246928640 334272248 /nfs/dbraw/zinc/27/22/48/334272248.db2.gz HATKHDMJRKQFNL-IAGOWNOFSA-N 2 1 274.452 3.686 20 0 CHADMP Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000549734156 334203294 /nfs/dbraw/zinc/20/32/94/334203294.db2.gz VDMCDILPJPHZBM-OAHLLOKOSA-N 2 1 294.870 3.858 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccoc1 ZINC000246995454 334273479 /nfs/dbraw/zinc/27/34/79/334273479.db2.gz KJCQGVYRYRLZBK-OWCLPIDISA-N 2 1 278.440 3.688 20 0 CHADMP CC(C)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550700832 334227102 /nfs/dbraw/zinc/22/71/02/334227102.db2.gz OVAOZLMZAYSRAK-RYQLBKOJSA-N 2 1 274.452 3.846 20 0 CHADMP CC(C)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550700832 334227103 /nfs/dbraw/zinc/22/71/03/334227103.db2.gz OVAOZLMZAYSRAK-RYQLBKOJSA-N 2 1 274.452 3.846 20 0 CHADMP CC(C)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550700830 334227160 /nfs/dbraw/zinc/22/71/60/334227160.db2.gz OVAOZLMZAYSRAK-CGTJXYLNSA-N 2 1 274.452 3.846 20 0 CHADMP CC(C)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550700830 334227161 /nfs/dbraw/zinc/22/71/61/334227161.db2.gz OVAOZLMZAYSRAK-CGTJXYLNSA-N 2 1 274.452 3.846 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC(C)(C)C2)C[C@H]1c1ccccc1 ZINC000550702697 334227366 /nfs/dbraw/zinc/22/73/66/334227366.db2.gz AHWIUZLCBYKOBH-KSZLIROESA-N 2 1 286.463 3.990 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC(C)(C)C2)C[C@H]1c1ccccc1 ZINC000550702697 334227368 /nfs/dbraw/zinc/22/73/68/334227368.db2.gz AHWIUZLCBYKOBH-KSZLIROESA-N 2 1 286.463 3.990 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccccc2)C(C)C)C1 ZINC000246013530 334227922 /nfs/dbraw/zinc/22/79/22/334227922.db2.gz KOWXAGZKQLBOGK-WMZOPIPTSA-N 2 1 274.452 3.705 20 0 CHADMP Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000551000066 334236008 /nfs/dbraw/zinc/23/60/08/334236008.db2.gz ZEEGJDRAXWNDDJ-WOJBJXKFSA-N 2 1 294.442 3.920 20 0 CHADMP Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000551000066 334236010 /nfs/dbraw/zinc/23/60/10/334236010.db2.gz ZEEGJDRAXWNDDJ-WOJBJXKFSA-N 2 1 294.442 3.920 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551008794 334236098 /nfs/dbraw/zinc/23/60/98/334236098.db2.gz ZFSOIJPKEIIFFZ-ONIAQPFYSA-N 2 1 274.452 3.846 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551008794 334236100 /nfs/dbraw/zinc/23/61/00/334236100.db2.gz ZFSOIJPKEIIFFZ-ONIAQPFYSA-N 2 1 274.452 3.846 20 0 CHADMP C(C[NH+]1CCCC1)C[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000551415462 334249788 /nfs/dbraw/zinc/24/97/88/334249788.db2.gz IFOMATUTOMJPIM-GOSISDBHSA-N 2 1 278.484 3.907 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CC(C(C)C)C(C)C)[C@@H](C)C1 ZINC000551553294 334254003 /nfs/dbraw/zinc/25/40/03/334254003.db2.gz ZSPNEYWSGFTDTR-RDJZCZTQSA-N 2 1 268.489 3.577 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CC(C(C)C)C(C)C)[C@@H](C)C1 ZINC000551553294 334254004 /nfs/dbraw/zinc/25/40/04/334254004.db2.gz ZSPNEYWSGFTDTR-RDJZCZTQSA-N 2 1 268.489 3.577 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CC(C(C)C)C(C)C)[C@@H](C)C1 ZINC000551553294 334254005 /nfs/dbraw/zinc/25/40/05/334254005.db2.gz ZSPNEYWSGFTDTR-RDJZCZTQSA-N 2 1 268.489 3.577 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(C)c2C)C1 ZINC000247196182 334277459 /nfs/dbraw/zinc/27/74/59/334277459.db2.gz WBFDNUFEZKKSKL-SJORKVTESA-N 2 1 274.452 3.686 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(CC)s2)C1 ZINC000247228446 334277697 /nfs/dbraw/zinc/27/76/97/334277697.db2.gz YDANFCZREMPYLR-KGLIPLIRSA-N 2 1 280.481 3.693 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247954155 334292109 /nfs/dbraw/zinc/29/21/09/334292109.db2.gz FIILCIXDPWRYDV-UNEWFSDZSA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247954155 334292110 /nfs/dbraw/zinc/29/21/10/334292110.db2.gz FIILCIXDPWRYDV-UNEWFSDZSA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247954155 334292112 /nfs/dbraw/zinc/29/21/12/334292112.db2.gz FIILCIXDPWRYDV-UNEWFSDZSA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247954155 334292114 /nfs/dbraw/zinc/29/21/14/334292114.db2.gz FIILCIXDPWRYDV-UNEWFSDZSA-N 2 1 292.854 3.817 20 0 CHADMP Cc1ccccc1[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000248149482 334295899 /nfs/dbraw/zinc/29/58/99/334295899.db2.gz QPCRFPKABBKJSW-LZLYRXPVSA-N 2 1 274.452 3.764 20 0 CHADMP Cc1ccccc1[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000248149482 334295900 /nfs/dbraw/zinc/29/59/00/334295900.db2.gz QPCRFPKABBKJSW-LZLYRXPVSA-N 2 1 274.452 3.764 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(C)cc2)C2CCC2)C1 ZINC000249838356 334341047 /nfs/dbraw/zinc/34/10/47/334341047.db2.gz FRANYLXMAQJEJF-LPHOPBHVSA-N 2 1 286.463 3.768 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000089541551 334346380 /nfs/dbraw/zinc/34/63/80/334346380.db2.gz NVWDVFDORMXLII-JKIFEVAISA-N 2 1 294.870 3.591 20 0 CHADMP CC(C)Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000250585936 334346815 /nfs/dbraw/zinc/34/68/15/334346815.db2.gz XXJNAKUPXGHOOP-MOPGFXCFSA-N 2 1 286.463 3.602 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC(C)(C)C1 ZINC000251762134 334369010 /nfs/dbraw/zinc/36/90/10/334369010.db2.gz DQWBEKCEUGVCSM-YDZMOUMUSA-N 2 1 278.484 3.806 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC(C)(C)C1 ZINC000251762134 334369011 /nfs/dbraw/zinc/36/90/11/334369011.db2.gz DQWBEKCEUGVCSM-YDZMOUMUSA-N 2 1 278.484 3.806 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000252216111 334377116 /nfs/dbraw/zinc/37/71/16/334377116.db2.gz ZFUAUBHIAGIYKD-OWYHZJEWSA-N 2 1 286.463 3.785 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000252216111 334377117 /nfs/dbraw/zinc/37/71/17/334377117.db2.gz ZFUAUBHIAGIYKD-OWYHZJEWSA-N 2 1 286.463 3.785 20 0 CHADMP CC(C)=CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000252441518 334380186 /nfs/dbraw/zinc/38/01/86/334380186.db2.gz NGOFWECMCVKHTE-SJORKVTESA-N 2 1 264.457 3.539 20 0 CHADMP CC(C)=CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000252441518 334380187 /nfs/dbraw/zinc/38/01/87/334380187.db2.gz NGOFWECMCVKHTE-SJORKVTESA-N 2 1 264.457 3.539 20 0 CHADMP CC(C)=CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000252441518 334380189 /nfs/dbraw/zinc/38/01/89/334380189.db2.gz NGOFWECMCVKHTE-SJORKVTESA-N 2 1 264.457 3.539 20 0 CHADMP CC(C)=CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000252441518 334380190 /nfs/dbraw/zinc/38/01/90/334380190.db2.gz NGOFWECMCVKHTE-SJORKVTESA-N 2 1 264.457 3.539 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000273351262 334764728 /nfs/dbraw/zinc/76/47/28/334764728.db2.gz YOWXYQQQZLKITN-LBPRGKRZSA-N 2 1 285.416 3.757 20 0 CHADMP CC1=C[C@H](C)C[C@H](C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000576438592 335203357 /nfs/dbraw/zinc/20/33/57/335203357.db2.gz RZEAGSXFMMUSNS-IEZWGBDMSA-N 2 1 290.495 3.643 20 0 CHADMP CCC[C@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000576464812 335207152 /nfs/dbraw/zinc/20/71/52/335207152.db2.gz QNRNHEVIWPXEIQ-MKXAEBJUSA-N 2 1 264.457 3.560 20 0 CHADMP CC(C)=CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000576521996 335214457 /nfs/dbraw/zinc/21/44/57/335214457.db2.gz WNHJBWZMKRSCDO-INIZCTEOSA-N 2 1 292.492 3.776 20 0 CHADMP CC(C)=CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000576521996 335214458 /nfs/dbraw/zinc/21/44/58/335214458.db2.gz WNHJBWZMKRSCDO-INIZCTEOSA-N 2 1 292.492 3.776 20 0 CHADMP CC(C)=CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000576521996 335214459 /nfs/dbraw/zinc/21/44/59/335214459.db2.gz WNHJBWZMKRSCDO-INIZCTEOSA-N 2 1 292.492 3.776 20 0 CHADMP C[C@@H](CC[NH2+][C@H]1CCCc2occc21)[NH+]1CCCCC1 ZINC000193281515 335297654 /nfs/dbraw/zinc/29/76/54/335297654.db2.gz SENRIIZIXHDQRH-HOCLYGCPSA-N 2 1 276.424 3.511 20 0 CHADMP CC1CCC([NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000577434200 335352066 /nfs/dbraw/zinc/35/20/66/335352066.db2.gz BAQKENHZMBDCCJ-PCKAHOCUSA-N 2 1 266.473 3.665 20 0 CHADMP CC1CCC([NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000577434200 335352068 /nfs/dbraw/zinc/35/20/68/335352068.db2.gz BAQKENHZMBDCCJ-PCKAHOCUSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000178696249 335445615 /nfs/dbraw/zinc/44/56/15/335445615.db2.gz MAEFABGCKGXYHU-HZPDHXFCSA-N 2 1 299.462 3.784 20 0 CHADMP C[C@H]([NH2+][C@H]1CCC[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381777878 336072739 /nfs/dbraw/zinc/07/27/39/336072739.db2.gz XBNNELJWHZVWMC-NEPXVJNWSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000581437060 336077660 /nfs/dbraw/zinc/07/76/60/336077660.db2.gz YHBQGIHTQFITJB-QWHCGFSZSA-N 2 1 289.810 3.624 20 0 CHADMP CC(C)CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccoc1 ZINC000581444828 336079156 /nfs/dbraw/zinc/07/91/56/336079156.db2.gz JRBFAFSUDAEKAX-NVXWUHKLSA-N 2 1 278.440 3.688 20 0 CHADMP CC(C)CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccoc1 ZINC000581444828 336079157 /nfs/dbraw/zinc/07/91/57/336079157.db2.gz JRBFAFSUDAEKAX-NVXWUHKLSA-N 2 1 278.440 3.688 20 0 CHADMP C/C(=C\c1ccccc1)C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000237516132 518446620 /nfs/dbraw/zinc/44/66/20/518446620.db2.gz SAVYZLKFTBMKIH-RBFDBLARSA-N 2 1 283.419 3.521 20 0 CHADMP CC(C)CC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000339405322 519652538 /nfs/dbraw/zinc/65/25/38/519652538.db2.gz BAIXBFBVNLWCPM-INIZCTEOSA-N 2 1 292.492 3.738 20 0 CHADMP CC(C)[C@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)c2ccccc21 ZINC000278271283 519827756 /nfs/dbraw/zinc/82/77/56/519827756.db2.gz PBJYYZSHVWNOSN-MSOLQXFVSA-N 2 1 272.436 3.555 20 0 CHADMP CC(C)c1ccc([C@H](C)[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000226330969 519839913 /nfs/dbraw/zinc/83/99/13/519839913.db2.gz PMZCRRSZHVWILH-RVKKMQEKSA-N 2 1 274.452 3.930 20 0 CHADMP CCC[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000278984657 520778464 /nfs/dbraw/zinc/77/84/64/520778464.db2.gz PHPDCVHJZMVCOC-DOTOQJQBSA-N 2 1 283.419 3.577 20 0 CHADMP CCCC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000037256133 521099484 /nfs/dbraw/zinc/09/94/84/521099484.db2.gz VZRRRGRYPDRLCA-QGZVFWFLSA-N 2 1 260.425 3.602 20 0 CHADMP CCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000130131241 521178094 /nfs/dbraw/zinc/17/80/94/521178094.db2.gz ATNMNTPPCXWJJQ-KSZLIROESA-N 2 1 272.436 3.744 20 0 CHADMP Cc1occc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000335269656 534569599 /nfs/dbraw/zinc/56/95/99/534569599.db2.gz LYQAYUYBKHDDPR-UHFFFAOYSA-N 2 1 299.418 3.500 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000122798555 521581123 /nfs/dbraw/zinc/58/11/23/521581123.db2.gz AQIYXQJUDWIMFY-ZWKOTPCHSA-N 2 1 286.463 3.643 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc3ccccc3c2)C[C@H]1C ZINC000337133575 521713606 /nfs/dbraw/zinc/71/36/06/521713606.db2.gz AZFCAPFYUQYMER-CRAIPNDOSA-N 2 1 297.446 3.539 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc3ccccc3c2)C[C@H]1C ZINC000337133575 521713607 /nfs/dbraw/zinc/71/36/07/521713607.db2.gz AZFCAPFYUQYMER-CRAIPNDOSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc3ccccc3c2)C[C@H]1C ZINC000337133575 521713609 /nfs/dbraw/zinc/71/36/09/521713609.db2.gz AZFCAPFYUQYMER-CRAIPNDOSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc3ccccc3c2)C[C@H]1C ZINC000337133575 521713610 /nfs/dbraw/zinc/71/36/10/521713610.db2.gz AZFCAPFYUQYMER-CRAIPNDOSA-N 2 1 297.446 3.539 20 0 CHADMP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000157435574 522727331 /nfs/dbraw/zinc/72/73/31/522727331.db2.gz IXPJAADLKYITRS-OKZBNKHCSA-N 2 1 266.388 3.872 20 0 CHADMP CC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000088163872 522811292 /nfs/dbraw/zinc/81/12/92/522811292.db2.gz NNDZBMFBFDMWMQ-HQSKLWIPSA-N 2 1 272.436 3.743 20 0 CHADMP CC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000088163872 522811301 /nfs/dbraw/zinc/81/13/01/522811301.db2.gz NNDZBMFBFDMWMQ-HQSKLWIPSA-N 2 1 272.436 3.743 20 0 CHADMP CC[C@@H]([NH2+]CCC[NH+](CC)CC)c1ccccc1F ZINC000163452098 522827140 /nfs/dbraw/zinc/82/71/40/522827140.db2.gz SHJHTNXMONBUGV-MRXNPFEDSA-N 2 1 266.404 3.598 20 0 CHADMP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339425637 523099182 /nfs/dbraw/zinc/09/91/82/523099182.db2.gz GCQDWSWJBUWGNT-ROUUACIJSA-N 2 1 272.436 3.555 20 0 CHADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339425637 523099194 /nfs/dbraw/zinc/09/91/94/523099194.db2.gz GCQDWSWJBUWGNT-ROUUACIJSA-N 2 1 272.436 3.555 20 0 CHADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339425637 523099202 /nfs/dbraw/zinc/09/92/02/523099202.db2.gz GCQDWSWJBUWGNT-ROUUACIJSA-N 2 1 272.436 3.555 20 0 CHADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339425637 523099210 /nfs/dbraw/zinc/09/92/10/523099210.db2.gz GCQDWSWJBUWGNT-ROUUACIJSA-N 2 1 272.436 3.555 20 0 CHADMP C[NH+]1CCC([NH2+][C@H](c2ccc(F)cc2)C(C)(C)C)CC1 ZINC000037119039 523778440 /nfs/dbraw/zinc/77/84/40/523778440.db2.gz NBVDDWFKEMXJNL-MRXNPFEDSA-N 2 1 278.415 3.597 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]CCC2(F)CCC2)C[C@@H]1c1ccccc1 ZINC000340394289 523986663 /nfs/dbraw/zinc/98/66/63/523986663.db2.gz ORLFSEIKKGFNKS-DLBZAZTESA-N 2 1 290.426 3.694 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CCC2(F)CCC2)C[C@@H]1c1ccccc1 ZINC000340394289 523986664 /nfs/dbraw/zinc/98/66/64/523986664.db2.gz ORLFSEIKKGFNKS-DLBZAZTESA-N 2 1 290.426 3.694 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]CCC2(C)CC2)C[C@H]1c1ccccc1 ZINC000340378078 523988155 /nfs/dbraw/zinc/98/81/55/523988155.db2.gz NSLMCAWPTPVOBJ-IRXDYDNUSA-N 2 1 272.436 3.602 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CCC2(C)CC2)C[C@H]1c1ccccc1 ZINC000340378078 523988158 /nfs/dbraw/zinc/98/81/58/523988158.db2.gz NSLMCAWPTPVOBJ-IRXDYDNUSA-N 2 1 272.436 3.602 20 0 CHADMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CC[C@](C)(c4ccccc4)C3)C2)C1 ZINC000292810264 523994776 /nfs/dbraw/zinc/99/47/76/523994776.db2.gz OQBHQDWFKPPIHP-UFYCRDLUSA-N 2 1 298.474 3.524 20 0 CHADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CC[C@](C)(c4ccccc4)C3)C2)C1 ZINC000292810264 523994778 /nfs/dbraw/zinc/99/47/78/523994778.db2.gz OQBHQDWFKPPIHP-UFYCRDLUSA-N 2 1 298.474 3.524 20 0 CHADMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CC[C@](C)(c4ccccc4)C3)C2)C1 ZINC000292810264 523994780 /nfs/dbraw/zinc/99/47/80/523994780.db2.gz OQBHQDWFKPPIHP-UFYCRDLUSA-N 2 1 298.474 3.524 20 0 CHADMP Cc1ccc(C[N@H+](CC[C@@H]2CCC[NH+]2C)C(C)C)s1 ZINC000340369514 524414441 /nfs/dbraw/zinc/41/44/41/524414441.db2.gz MXMQYQQWVPCXCN-HNNXBMFYSA-N 2 1 280.481 3.751 20 0 CHADMP Cc1ccc(C[NH+](CC[C@@H]2CCC[N@@H+]2C)C(C)C)s1 ZINC000340369514 524414447 /nfs/dbraw/zinc/41/44/47/524414447.db2.gz MXMQYQQWVPCXCN-HNNXBMFYSA-N 2 1 280.481 3.751 20 0 CHADMP Cc1ccc(C[NH+](CC[C@@H]2CCC[N@H+]2C)C(C)C)s1 ZINC000340369514 524414452 /nfs/dbraw/zinc/41/44/52/524414452.db2.gz MXMQYQQWVPCXCN-HNNXBMFYSA-N 2 1 280.481 3.751 20 0 CHADMP Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000130347647 524463821 /nfs/dbraw/zinc/46/38/21/524463821.db2.gz WTHKJSLITBKRJU-BPQIPLTHSA-N 2 1 272.436 3.581 20 0 CHADMP Cc1cccc(C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)c1 ZINC000119725371 524470917 /nfs/dbraw/zinc/47/09/17/524470917.db2.gz RVEQJKHBURRXIV-FQEVSTJZSA-N 2 1 298.474 3.533 20 0 CHADMP C[C@H](C[NH2+][C@H](C)c1nccc2ccccc21)C[NH+]1CCCC1 ZINC000289636437 524503057 /nfs/dbraw/zinc/50/30/57/524503057.db2.gz HMQVTVXOFMMDJH-HZPDHXFCSA-N 2 1 297.446 3.617 20 0 CHADMP COc1ccccc1[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000037786236 524778936 /nfs/dbraw/zinc/77/89/36/524778936.db2.gz PMVARCZPJPKBDS-AWEZNQCLSA-N 2 1 290.451 3.609 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C3CCC3)cc2)CC[N@H+]1C ZINC000277285116 525269381 /nfs/dbraw/zinc/26/93/81/525269381.db2.gz SXKRIDXUQYEIAK-KDOFPFPSSA-N 2 1 272.436 3.526 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc2ccccc2o1 ZINC000037070892 525405362 /nfs/dbraw/zinc/40/53/62/525405362.db2.gz JBBXEZDYXZJSTE-OHRKKDJYSA-N 2 1 284.403 3.709 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc2ccccc2o1 ZINC000037070892 525405368 /nfs/dbraw/zinc/40/53/68/525405368.db2.gz JBBXEZDYXZJSTE-OHRKKDJYSA-N 2 1 284.403 3.709 20 0 CHADMP C[C@H]([NH2+][C@H]1CC=CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274898609 525603026 /nfs/dbraw/zinc/60/30/26/525603026.db2.gz KSSIPXXYBUJCTN-WDSOQIARSA-N 2 1 284.447 3.595 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)s1 ZINC000359216379 525820416 /nfs/dbraw/zinc/82/04/16/525820416.db2.gz RESJVBZCLZMZAL-HNNXBMFYSA-N 2 1 278.465 3.583 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000157475999 525940373 /nfs/dbraw/zinc/94/03/73/525940373.db2.gz CPDIPBBWQSHQKA-MORSLUCNSA-N 2 1 266.388 3.790 20 0 CHADMP CSc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000037786516 526002532 /nfs/dbraw/zinc/00/25/32/526002532.db2.gz HGXJBBSHYTWDPK-UHFFFAOYSA-N 2 1 292.492 3.761 20 0 CHADMP c1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649278 526502155 /nfs/dbraw/zinc/50/21/55/526502155.db2.gz VUVJMDHBDMLYCS-DNVCBOLYSA-N 2 1 284.447 3.528 20 0 CHADMP Cc1sccc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000339342452 526918304 /nfs/dbraw/zinc/91/83/04/526918304.db2.gz HMAGVCKKGAMHTM-CZUORRHYSA-N 2 1 292.492 3.799 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000358080096 527447982 /nfs/dbraw/zinc/44/79/82/527447982.db2.gz FUJACFLIHRNLOV-LZWOXQAQSA-N 2 1 277.456 3.632 20 0 CHADMP CC(C)CC1(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CCC1 ZINC000352753752 527695004 /nfs/dbraw/zinc/69/50/04/527695004.db2.gz GAQIDFWMMJMVNZ-UHFFFAOYSA-N 2 1 295.496 3.511 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3ncccc3c2)C[C@@H]1C ZINC000353748072 527754651 /nfs/dbraw/zinc/75/46/51/527754651.db2.gz PGZMEKVDXGHOGJ-MAUKXSAKSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc3ncccc3c2)C[C@@H]1C ZINC000353748072 527754657 /nfs/dbraw/zinc/75/46/57/527754657.db2.gz PGZMEKVDXGHOGJ-MAUKXSAKSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc3ncccc3c2)C[C@@H]1C ZINC000353748072 527754662 /nfs/dbraw/zinc/75/46/62/527754662.db2.gz PGZMEKVDXGHOGJ-MAUKXSAKSA-N 2 1 297.446 3.539 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3cccnc32)C[C@@H]1C ZINC000353746945 527834413 /nfs/dbraw/zinc/83/44/13/527834413.db2.gz LXSSLXJKRPCUDC-YJBOKZPZSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3cccnc32)C[C@@H]1C ZINC000353746945 527834420 /nfs/dbraw/zinc/83/44/20/527834420.db2.gz LXSSLXJKRPCUDC-YJBOKZPZSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3cccnc32)C[C@@H]1C ZINC000353746945 527834424 /nfs/dbraw/zinc/83/44/24/527834424.db2.gz LXSSLXJKRPCUDC-YJBOKZPZSA-N 2 1 297.446 3.539 20 0 CHADMP CCSc1ccccc1[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344302024 529257336 /nfs/dbraw/zinc/25/73/36/529257336.db2.gz SGKJYZJGLCMNSH-CQSZACIVSA-N 2 1 290.476 3.711 20 0 CHADMP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000222015435 1125467820 /nfs/dbraw/zinc/46/78/20/1125467820.db2.gz VZQUMNVNYPDGNL-JQHSSLGASA-N 2 1 272.436 3.581 20 0 CHADMP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000222015435 1125467821 /nfs/dbraw/zinc/46/78/21/1125467821.db2.gz VZQUMNVNYPDGNL-JQHSSLGASA-N 2 1 272.436 3.581 20 0 CHADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccc(Cl)s1 ZINC000093678116 1118677545 /nfs/dbraw/zinc/67/75/45/1118677545.db2.gz QPOZJJYPKLSYJQ-YHWZYXNKSA-N 2 1 298.883 3.754 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC[C@H]1CCCC[NH2+]1 ZINC000251703434 1125489075 /nfs/dbraw/zinc/48/90/75/1125489075.db2.gz OFRGYHANABZPGU-CZUORRHYSA-N 2 1 280.843 3.865 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCC(C(F)F)CC1 ZINC000564426503 1120118109 /nfs/dbraw/zinc/11/81/09/1120118109.db2.gz DNWMAPMOHGKZJP-IYXRBSQSSA-N 2 1 276.415 3.520 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCC(C(F)F)CC1 ZINC000564426503 1120118111 /nfs/dbraw/zinc/11/81/11/1120118111.db2.gz DNWMAPMOHGKZJP-IYXRBSQSSA-N 2 1 276.415 3.520 20 0 CHADMP CCCC[C@@H](CCC)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512067184 1121054639 /nfs/dbraw/zinc/05/46/39/1121054639.db2.gz JRTJZXHSXWNTRB-CYBMUJFWSA-N 2 1 283.485 3.653 20 0 CHADMP C[C@@H](C[NH2+]CC1CCCCCC1)[N@@H+]1CCCC[C@H]1C ZINC001177278148 1121722252 /nfs/dbraw/zinc/72/22/52/1121722252.db2.gz SRMNTCBHFDLKFX-CVEARBPZSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@@H](C[NH2+]CC1CCCCCC1)[N@H+]1CCCC[C@H]1C ZINC001177278148 1121722256 /nfs/dbraw/zinc/72/22/56/1121722256.db2.gz SRMNTCBHFDLKFX-CVEARBPZSA-N 2 1 266.473 3.809 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206556253 1122202733 /nfs/dbraw/zinc/20/27/33/1122202733.db2.gz PONDKEQOKOQWNX-MRXNPFEDSA-N 2 1 280.843 3.599 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205603907 1122651790 /nfs/dbraw/zinc/65/17/90/1122651790.db2.gz SNBVNZAHVYEKNG-ULQDDVLXSA-N 2 1 266.473 3.676 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CCC(C)(C)C ZINC001202096767 1123175527 /nfs/dbraw/zinc/17/55/27/1123175527.db2.gz ROSXROUIPYGBEB-HOTGVXAUSA-N 2 1 266.473 3.761 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CCC(C)(C)C ZINC001202096767 1123175529 /nfs/dbraw/zinc/17/55/29/1123175529.db2.gz ROSXROUIPYGBEB-HOTGVXAUSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)CCCC2CCCCC2)CC[N@@H+]1C ZINC000428284961 1123442580 /nfs/dbraw/zinc/44/25/80/1123442580.db2.gz MWNJGMHQAYZCAV-RDJZCZTQSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)CCCC2CCCCC2)CC[N@H+]1C ZINC000428284961 1123442583 /nfs/dbraw/zinc/44/25/83/1123442583.db2.gz MWNJGMHQAYZCAV-RDJZCZTQSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@H]1C[C@@H]([N@H+](C)CCCC2CCCCC2)CC[NH+]1C ZINC000428284961 1123442590 /nfs/dbraw/zinc/44/25/90/1123442590.db2.gz MWNJGMHQAYZCAV-RDJZCZTQSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@H]1C[C@@H]([N@@H+](C)CCCC2CCCCC2)CC[NH+]1C ZINC000428284961 1123442592 /nfs/dbraw/zinc/44/25/92/1123442592.db2.gz MWNJGMHQAYZCAV-RDJZCZTQSA-N 2 1 266.473 3.761 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2)C[C@H]1C ZINC000531140108 1125196750 /nfs/dbraw/zinc/19/67/50/1125196750.db2.gz MIQQYZOMROLIGR-CJNGLKHVSA-N 2 1 280.843 3.645 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2)C[C@H]1C ZINC000531140108 1125196754 /nfs/dbraw/zinc/19/67/54/1125196754.db2.gz MIQQYZOMROLIGR-CJNGLKHVSA-N 2 1 280.843 3.645 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](C)c1cccs1 ZINC000125471458 1125449005 /nfs/dbraw/zinc/44/90/05/1125449005.db2.gz AXTRBMCYRPKPFB-ZDUSSCGKSA-N 2 1 277.437 3.726 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](C)c1cccs1 ZINC000125471458 1125449009 /nfs/dbraw/zinc/44/90/09/1125449009.db2.gz AXTRBMCYRPKPFB-ZDUSSCGKSA-N 2 1 277.437 3.726 20 0 CHADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC001246548791 1131601681 /nfs/dbraw/zinc/60/16/81/1131601681.db2.gz HKAWRWKCDLTJLP-XHSDSOJGSA-N 2 1 254.462 3.523 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1CCCCCC1)C2 ZINC001172112262 1132132248 /nfs/dbraw/zinc/13/22/48/1132132248.db2.gz VBISEVNZXNFZPU-BJWYYQGGSA-N 2 1 264.457 3.562 20 0 CHADMP CCCCCC[C@H](CCC)[NH2+]CCn1cc[nH+]c1C ZINC001172377430 1132170260 /nfs/dbraw/zinc/17/02/60/1132170260.db2.gz BWJXQEANKSZZHU-INIZCTEOSA-N 2 1 265.445 3.920 20 0 CHADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc2cc(C)ccc2n1 ZINC001137218596 1125610343 /nfs/dbraw/zinc/61/03/43/1125610343.db2.gz FKVFYOCJYPKZKO-UHFFFAOYSA-N 2 1 299.462 3.707 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc2cc(C)ccc2n1 ZINC001137218596 1125610350 /nfs/dbraw/zinc/61/03/50/1125610350.db2.gz FKVFYOCJYPKZKO-UHFFFAOYSA-N 2 1 299.462 3.707 20 0 CHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](CC)c2ccc(F)cc2F)C1 ZINC000246822557 1125648643 /nfs/dbraw/zinc/64/86/43/1125648643.db2.gz BGAIGVAKQBFPBG-SUMWQHHRSA-N 2 1 296.405 3.737 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)c2ccc(F)cc2F)C1 ZINC000246822557 1125648645 /nfs/dbraw/zinc/64/86/45/1125648645.db2.gz BGAIGVAKQBFPBG-SUMWQHHRSA-N 2 1 296.405 3.737 20 0 CHADMP CCOc1ccccc1[C@H](CC)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247159052 1125654285 /nfs/dbraw/zinc/65/42/85/1125654285.db2.gz XQOZJYLZIARZOW-ZOBUZTSGSA-N 2 1 290.451 3.609 20 0 CHADMP CCOc1ccccc1[C@H](CC)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247159052 1125654287 /nfs/dbraw/zinc/65/42/87/1125654287.db2.gz XQOZJYLZIARZOW-ZOBUZTSGSA-N 2 1 290.451 3.609 20 0 CHADMP CCOc1ccccc1[C@H](CC)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247159052 1125654288 /nfs/dbraw/zinc/65/42/88/1125654288.db2.gz XQOZJYLZIARZOW-ZOBUZTSGSA-N 2 1 290.451 3.609 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1ccc(F)cc1F ZINC000247130856 1125655216 /nfs/dbraw/zinc/65/52/16/1125655216.db2.gz QHNVEZUOZJUPIV-QEORTHHSSA-N 2 1 296.405 3.878 20 0 CHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc2cccnc21 ZINC000075860333 1125657800 /nfs/dbraw/zinc/65/78/00/1125657800.db2.gz GLMTUJJPWXAUQO-SFHVURJKSA-N 2 1 297.446 3.541 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc2cccnc21 ZINC000075860333 1125657803 /nfs/dbraw/zinc/65/78/03/1125657803.db2.gz GLMTUJJPWXAUQO-SFHVURJKSA-N 2 1 297.446 3.541 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccc2cccnc21 ZINC000075860333 1125657808 /nfs/dbraw/zinc/65/78/08/1125657808.db2.gz GLMTUJJPWXAUQO-SFHVURJKSA-N 2 1 297.446 3.541 20 0 CHADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@@H](c2ccco2)C1 ZINC000248142927 1125662914 /nfs/dbraw/zinc/66/29/14/1125662914.db2.gz ZADSIBSGUHAVKF-OWCLPIDISA-N 2 1 276.424 3.537 20 0 CHADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@@H](c2ccco2)C1 ZINC000248142927 1125662917 /nfs/dbraw/zinc/66/29/17/1125662917.db2.gz ZADSIBSGUHAVKF-OWCLPIDISA-N 2 1 276.424 3.537 20 0 CHADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)[C@@H](c2ccco2)C1 ZINC000248142927 1125662920 /nfs/dbraw/zinc/66/29/20/1125662920.db2.gz ZADSIBSGUHAVKF-OWCLPIDISA-N 2 1 276.424 3.537 20 0 CHADMP C[NH+](C/C=C/Cl)[C@H]1CC[C@H]([N@@H+](C)C/C=C/Cl)CC1 ZINC000886392145 1125676602 /nfs/dbraw/zinc/67/66/02/1125676602.db2.gz XFOVBDKMAGGNPE-LZWRWSFMSA-N 2 1 291.266 3.666 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@H](C)c2cc3c(s2)CCC3)CC1 ZINC000161623886 1125707475 /nfs/dbraw/zinc/70/74/75/1125707475.db2.gz PVZXFSNJIHFYJG-CYBMUJFWSA-N 2 1 292.492 3.762 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1F ZINC000161680414 1125711057 /nfs/dbraw/zinc/71/10/57/1125711057.db2.gz NBCBXJZPQHWQFZ-SWLSCSKDSA-N 2 1 298.833 3.862 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1F ZINC000161680414 1125711064 /nfs/dbraw/zinc/71/10/64/1125711064.db2.gz NBCBXJZPQHWQFZ-SWLSCSKDSA-N 2 1 298.833 3.862 20 0 CHADMP C[C@H]([NH2+]C1(C2CC2)CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000886825517 1125721409 /nfs/dbraw/zinc/72/14/09/1125721409.db2.gz WCKOPJOLOAZRST-WMZOPIPTSA-N 2 1 298.474 3.819 20 0 CHADMP CC[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC[C@H]1c1ccccc1 ZINC000261747796 1125741794 /nfs/dbraw/zinc/74/17/94/1125741794.db2.gz JGZQIJMMIOQLFG-QRQLOZEOSA-N 2 1 286.463 3.502 20 0 CHADMP c1sc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1-c1ccccc1 ZINC000262005228 1125749055 /nfs/dbraw/zinc/74/90/55/1125749055.db2.gz LRPVUJYLZLWTND-SFHVURJKSA-N 2 1 298.455 3.601 20 0 CHADMP C[C@H]([NH2+]CC1(C2CC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508691196 1125773479 /nfs/dbraw/zinc/77/34/79/1125773479.db2.gz MBBUVEUQXSICLS-WMZOPIPTSA-N 2 1 298.474 3.677 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)cc(Cl)c2)[C@@H](C)C1 ZINC000508726522 1125783848 /nfs/dbraw/zinc/78/38/48/1125783848.db2.gz JHXORUCWGKQYIX-WMLDXEAASA-N 2 1 294.870 3.811 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)cc(Cl)c2)[C@@H](C)C1 ZINC000508726522 1125783853 /nfs/dbraw/zinc/78/38/53/1125783853.db2.gz JHXORUCWGKQYIX-WMLDXEAASA-N 2 1 294.870 3.811 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)cc(Cl)c2)[C@@H](C)C1 ZINC000508726522 1125783861 /nfs/dbraw/zinc/78/38/61/1125783861.db2.gz JHXORUCWGKQYIX-WMLDXEAASA-N 2 1 294.870 3.811 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)cc(Cl)c2)C[C@H]1C ZINC000508717264 1125780223 /nfs/dbraw/zinc/78/02/23/1125780223.db2.gz IKMNNNASXKIWLA-RHSMWYFYSA-N 2 1 294.870 3.953 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)cc(Cl)c2)C[C@H]1C ZINC000508717264 1125780228 /nfs/dbraw/zinc/78/02/28/1125780228.db2.gz IKMNNNASXKIWLA-RHSMWYFYSA-N 2 1 294.870 3.953 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)cc(Cl)c2)C[C@H]1C ZINC000508717264 1125780236 /nfs/dbraw/zinc/78/02/36/1125780236.db2.gz IKMNNNASXKIWLA-RHSMWYFYSA-N 2 1 294.870 3.953 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)cc(Cl)c2)C[C@H]1C ZINC000508717264 1125780243 /nfs/dbraw/zinc/78/02/43/1125780243.db2.gz IKMNNNASXKIWLA-RHSMWYFYSA-N 2 1 294.870 3.953 20 0 CHADMP CCC1(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000508721186 1125783402 /nfs/dbraw/zinc/78/34/02/1125783402.db2.gz UEIDWXRHZUAQLI-SJLPKXTDSA-N 2 1 286.463 3.677 20 0 CHADMP CCCCC[C@H](CC)[N@@H+](C)CCC[NH+]1CCCC1 ZINC001258444934 1129365304 /nfs/dbraw/zinc/36/53/04/1129365304.db2.gz CNXGCCBIOULRNY-INIZCTEOSA-N 2 1 254.462 3.763 20 0 CHADMP CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C[NH+](CC)CC)CC1 ZINC000086907817 1129826567 /nfs/dbraw/zinc/82/65/67/1129826567.db2.gz HULUHDHVUWENBG-ARFHVFGLSA-N 2 1 254.462 3.665 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)c1ccccc1 ZINC000164049606 1129205445 /nfs/dbraw/zinc/20/54/45/1129205445.db2.gz INPKPTYVQDCYRM-NXHRZFHOSA-N 2 1 288.479 3.815 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)c1ccccc1 ZINC000164049606 1129205449 /nfs/dbraw/zinc/20/54/49/1129205449.db2.gz INPKPTYVQDCYRM-NXHRZFHOSA-N 2 1 288.479 3.815 20 0 CHADMP CC(C)c1ccccc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000903718031 1130193535 /nfs/dbraw/zinc/19/35/35/1130193535.db2.gz YDRZEOPHKMYKGA-UHFFFAOYSA-N 2 1 260.425 3.512 20 0 CHADMP C(=C/c1ccccc1)\C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134938186 1126705230 /nfs/dbraw/zinc/70/52/30/1126705230.db2.gz YODUIYPCFLEOJQ-HDRQVOTFSA-N 2 1 296.458 3.649 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)C[C@H](C)CC(C)C ZINC000338014398 1126710474 /nfs/dbraw/zinc/71/04/74/1126710474.db2.gz GUMYDTZDWOYIQR-CABCVRRESA-N 2 1 265.445 3.632 20 0 CHADMP CC[NH+]1CCC([N@H+](C)Cc2cc3c(cc(C)cc3C)[nH]2)CC1 ZINC000481910305 1126734417 /nfs/dbraw/zinc/73/44/17/1126734417.db2.gz LVUNUOBTCACLSP-UHFFFAOYSA-N 2 1 299.462 3.701 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)Cc2cc3c(cc(C)cc3C)[nH]2)CC1 ZINC000481910305 1126734418 /nfs/dbraw/zinc/73/44/18/1126734418.db2.gz LVUNUOBTCACLSP-UHFFFAOYSA-N 2 1 299.462 3.701 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000152600730 1126757617 /nfs/dbraw/zinc/75/76/17/1126757617.db2.gz ILTPPROFKKSAMV-NVXWUHKLSA-N 2 1 275.440 3.554 20 0 CHADMP C/C(=C\c1ccccc1)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000174600841 1126772284 /nfs/dbraw/zinc/77/22/84/1126772284.db2.gz VLADPYQPTWSQAP-MBPVEPFQSA-N 2 1 284.447 3.695 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c(C)oc2ccccc21 ZINC000179004678 1126822340 /nfs/dbraw/zinc/82/23/40/1126822340.db2.gz OAWTXNXFENXBIM-CYBMUJFWSA-N 2 1 297.402 3.672 20 0 CHADMP CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccc(F)cc1 ZINC000178705599 1126819130 /nfs/dbraw/zinc/81/91/30/1126819130.db2.gz YIQKYNZTBYGHOD-GUYCJALGSA-N 2 1 289.398 3.708 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904325225 1126845964 /nfs/dbraw/zinc/84/59/64/1126845964.db2.gz SZNRFVWABRZWIO-IATRGZMQSA-N 2 1 280.843 3.501 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C1CC1 ZINC000165008220 1129211178 /nfs/dbraw/zinc/21/11/78/1129211178.db2.gz DBXBEXYSNHSSBV-VYDXJSESSA-N 2 1 292.492 3.909 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CC1 ZINC000165008220 1129211181 /nfs/dbraw/zinc/21/11/81/1129211181.db2.gz DBXBEXYSNHSSBV-VYDXJSESSA-N 2 1 292.492 3.909 20 0 CHADMP Cc1cccnc1[C@H]([NH2+][C@H](C)C[C@H]1CCC[NH2+]1)C(C)(C)C ZINC000904469243 1126853303 /nfs/dbraw/zinc/85/33/03/1126853303.db2.gz KGULSZZDUDHECV-INMHGKMJSA-N 2 1 289.467 3.597 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252416688 1126853505 /nfs/dbraw/zinc/85/35/05/1126853505.db2.gz PCTSCVWFNUEZCS-UKPHBRMFSA-N 2 1 292.854 3.865 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252416688 1126853509 /nfs/dbraw/zinc/85/35/09/1126853509.db2.gz PCTSCVWFNUEZCS-UKPHBRMFSA-N 2 1 292.854 3.865 20 0 CHADMP Cc1cccnc1[C@H]([NH2+][C@H](C)C[C@@H]1CCC[NH2+]1)C(C)(C)C ZINC000904469245 1126853670 /nfs/dbraw/zinc/85/36/70/1126853670.db2.gz KGULSZZDUDHECV-VYDXJSESSA-N 2 1 289.467 3.597 20 0 CHADMP Clc1cccc(C2([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000182257516 1126869385 /nfs/dbraw/zinc/86/93/85/1126869385.db2.gz QUANUMOAKCYHQM-HZPDHXFCSA-N 2 1 290.838 3.546 20 0 CHADMP Clc1cccc(C2([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000182257516 1126869389 /nfs/dbraw/zinc/86/93/89/1126869389.db2.gz QUANUMOAKCYHQM-HZPDHXFCSA-N 2 1 290.838 3.546 20 0 CHADMP Cc1nccn1CCC[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000189733691 1126933922 /nfs/dbraw/zinc/93/39/22/1126933922.db2.gz ZXUUVUBGWLOCFA-UHFFFAOYSA-N 2 1 295.789 3.506 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000189733691 1126933925 /nfs/dbraw/zinc/93/39/25/1126933925.db2.gz ZXUUVUBGWLOCFA-UHFFFAOYSA-N 2 1 295.789 3.506 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000189733691 1126933928 /nfs/dbraw/zinc/93/39/28/1126933928.db2.gz ZXUUVUBGWLOCFA-UHFFFAOYSA-N 2 1 295.789 3.506 20 0 CHADMP CC[N@@H+](Cc1ccc(C)c(Cl)c1C)C1CC[NH2+]CC1 ZINC001235764862 1130778689 /nfs/dbraw/zinc/77/86/89/1130778689.db2.gz MQHPWAVCDVLOPA-UHFFFAOYSA-N 2 1 280.843 3.531 20 0 CHADMP CCC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccsc1 ZINC000191190519 1126949231 /nfs/dbraw/zinc/94/92/31/1126949231.db2.gz RPUDNZWKBFGYEB-MRXNPFEDSA-N 2 1 278.465 3.806 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1csc(Cl)c1 ZINC000191189763 1126949270 /nfs/dbraw/zinc/94/92/70/1126949270.db2.gz KHZFUFIWLXSURQ-LLVKDONJSA-N 2 1 298.883 3.927 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2 ZINC000193060669 1126965798 /nfs/dbraw/zinc/96/57/98/1126965798.db2.gz QNLAMVSBSRTBSE-RGPMPMONSA-N 2 1 284.447 3.587 20 0 CHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2sccc2Cl)C1 ZINC000193086960 1126966500 /nfs/dbraw/zinc/96/65/00/1126966500.db2.gz VIZYHZWOTAXKPV-LBPRGKRZSA-N 2 1 286.872 3.612 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2sccc2Cl)C1 ZINC000193086960 1126966502 /nfs/dbraw/zinc/96/65/02/1126966502.db2.gz VIZYHZWOTAXKPV-LBPRGKRZSA-N 2 1 286.872 3.612 20 0 CHADMP CC[N@@H+](C)C[C@H]1CCN([C@H](C)c2ccc(Cl)cc2)C1 ZINC000266600734 1126984935 /nfs/dbraw/zinc/98/49/35/1126984935.db2.gz DAPPSVROUDFXPP-ZIAGYGMSSA-N 2 1 280.843 3.675 20 0 CHADMP Cc1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c(C)o1 ZINC000163567370 1126997671 /nfs/dbraw/zinc/99/76/71/1126997671.db2.gz JSHMCPLUXPXBPR-AWEZNQCLSA-N 2 1 278.440 3.641 20 0 CHADMP Cc1cccnc1[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC000268098208 1127011622 /nfs/dbraw/zinc/01/16/22/1127011622.db2.gz KDRVOOSMYALLOP-DLBZAZTESA-N 2 1 289.467 3.551 20 0 CHADMP Cc1cccnc1[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)C(C)C ZINC000268098208 1127011624 /nfs/dbraw/zinc/01/16/24/1127011624.db2.gz KDRVOOSMYALLOP-DLBZAZTESA-N 2 1 289.467 3.551 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000268851806 1127026192 /nfs/dbraw/zinc/02/61/92/1127026192.db2.gz KLBUVWHKEYDBJO-LLVKDONJSA-N 2 1 295.789 3.725 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000268858594 1127026578 /nfs/dbraw/zinc/02/65/78/1127026578.db2.gz MDMPCBFHVMUFTM-QGZVFWFLSA-N 2 1 283.419 3.594 20 0 CHADMP C[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000668819031 1127054589 /nfs/dbraw/zinc/05/45/89/1127054589.db2.gz MQPUPVWYRNHLQL-FUHWJXTLSA-N 2 1 286.463 3.502 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc3ncccc3c2)CC1 ZINC000271044459 1127066371 /nfs/dbraw/zinc/06/63/71/1127066371.db2.gz PLNZUFSODJFHGA-UHFFFAOYSA-N 2 1 297.446 3.539 20 0 CHADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccnc(Cl)c2)CC1 ZINC000164480725 1127168078 /nfs/dbraw/zinc/16/80/78/1127168078.db2.gz ODWNGIVEEZQERV-CYBMUJFWSA-N 2 1 295.858 3.650 20 0 CHADMP C[NH+](CCCCCF)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000284092046 1127172743 /nfs/dbraw/zinc/17/27/43/1127172743.db2.gz LZJJDPVSSRZSBP-SFHVURJKSA-N 2 1 292.442 3.580 20 0 CHADMP C[NH+](CCCCCF)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000284092046 1127172744 /nfs/dbraw/zinc/17/27/44/1127172744.db2.gz LZJJDPVSSRZSBP-SFHVURJKSA-N 2 1 292.442 3.580 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C/C=C\c2ccccc2)C1 ZINC000588177767 1127180263 /nfs/dbraw/zinc/18/02/63/1127180263.db2.gz FSTLLNRSGGAQGK-SZPFOIOYSA-N 2 1 286.463 3.657 20 0 CHADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000351229140 1127187382 /nfs/dbraw/zinc/18/73/82/1127187382.db2.gz QICBDRILVRYFSV-HOTGVXAUSA-N 2 1 278.440 3.785 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000351229140 1127187383 /nfs/dbraw/zinc/18/73/83/1127187383.db2.gz QICBDRILVRYFSV-HOTGVXAUSA-N 2 1 278.440 3.785 20 0 CHADMP CC[C@H](c1ccccc1)[N@H+](CC)CCCc1c[nH+]cn1C ZINC000572131462 1127193922 /nfs/dbraw/zinc/19/39/22/1127193922.db2.gz CMGULWCZTHETLX-GOSISDBHSA-N 2 1 285.435 3.826 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+](CC)CCCc1c[nH+]cn1C ZINC000572131462 1127193926 /nfs/dbraw/zinc/19/39/26/1127193926.db2.gz CMGULWCZTHETLX-GOSISDBHSA-N 2 1 285.435 3.826 20 0 CHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccoc1 ZINC000760714542 1127205723 /nfs/dbraw/zinc/20/57/23/1127205723.db2.gz ZQDZUFHQRDCVFB-HZPDHXFCSA-N 2 1 298.430 3.526 20 0 CHADMP C[NH+](C)Cc1cnc(C[NH2+]CC2CCC(C)(C)CC2)s1 ZINC000352800338 1127245613 /nfs/dbraw/zinc/24/56/13/1127245613.db2.gz YTYYLUQXZCLPEK-UHFFFAOYSA-N 2 1 295.496 3.511 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCC2(CCCC2)CC1 ZINC000352835445 1127246546 /nfs/dbraw/zinc/24/65/46/1127246546.db2.gz OZIGMZFDCMIABT-OAHLLOKOSA-N 2 1 289.467 3.920 20 0 CHADMP Cc1ccccc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590787252 1127272833 /nfs/dbraw/zinc/27/28/33/1127272833.db2.gz WQOSCEQDEZMGPI-UHFFFAOYSA-N 2 1 274.452 3.547 20 0 CHADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000353571440 1127270392 /nfs/dbraw/zinc/27/03/92/1127270392.db2.gz PERLZXZWGAOHMR-QWHCGFSZSA-N 2 1 276.415 3.519 20 0 CHADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000353571440 1127270396 /nfs/dbraw/zinc/27/03/96/1127270396.db2.gz PERLZXZWGAOHMR-QWHCGFSZSA-N 2 1 276.415 3.519 20 0 CHADMP Cc1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(C)s1 ZINC000354097299 1127292445 /nfs/dbraw/zinc/29/24/45/1127292445.db2.gz OWFPZTUMPLXWPN-INIZCTEOSA-N 2 1 292.492 3.529 20 0 CHADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(C)s1 ZINC000354097299 1127292449 /nfs/dbraw/zinc/29/24/49/1127292449.db2.gz OWFPZTUMPLXWPN-INIZCTEOSA-N 2 1 292.492 3.529 20 0 CHADMP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(C)s1 ZINC000354097299 1127292453 /nfs/dbraw/zinc/29/24/53/1127292453.db2.gz OWFPZTUMPLXWPN-INIZCTEOSA-N 2 1 292.492 3.529 20 0 CHADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C[C@H]2CCCC(C)(C)C2)C1 ZINC000573487615 1127316493 /nfs/dbraw/zinc/31/64/93/1127316493.db2.gz LXOKJRCTMDOWJM-YESZJQIVSA-N 2 1 278.484 3.619 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CC1(C)CCCCCC1 ZINC000355667829 1127356998 /nfs/dbraw/zinc/35/69/98/1127356998.db2.gz LAUACDDKMVISIL-HNNXBMFYSA-N 2 1 277.456 3.778 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000289360885 1127382714 /nfs/dbraw/zinc/38/27/14/1127382714.db2.gz ZERYBLNIMMVSQB-RDTXWAMCSA-N 2 1 283.419 3.810 20 0 CHADMP C[C@@H]1CC[C@]2(CC[N@@H+](Cc3ccc(-n4ccnc4)cc3)C2)C1 ZINC000359295901 1127457263 /nfs/dbraw/zinc/45/72/63/1127457263.db2.gz IGWZMIBVKAXSEH-APWZRJJASA-N 2 1 295.430 3.884 20 0 CHADMP C[C@H](C[NH2+][C@H]1CC(C)(C)Cc2occc21)C[NH+]1CCCC1 ZINC000360430889 1127498602 /nfs/dbraw/zinc/49/86/02/1127498602.db2.gz ZMVKJMXSRDTAKV-ZBFHGGJFSA-N 2 1 290.451 3.615 20 0 CHADMP CC[C@H](C[N@H+](CC)CCn1cc[nH+]c1C)c1ccccc1 ZINC000360726523 1127508183 /nfs/dbraw/zinc/50/81/83/1127508183.db2.gz RCCZJFNUCAILRB-QGZVFWFLSA-N 2 1 285.435 3.707 20 0 CHADMP CC[C@H](C[N@@H+](CC)CCn1cc[nH+]c1C)c1ccccc1 ZINC000360726523 1127508186 /nfs/dbraw/zinc/50/81/86/1127508186.db2.gz RCCZJFNUCAILRB-QGZVFWFLSA-N 2 1 285.435 3.707 20 0 CHADMP CCSc1ccccc1[C@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000360861188 1127515970 /nfs/dbraw/zinc/51/59/70/1127515970.db2.gz REEFVWWOOLOLOM-KGLIPLIRSA-N 2 1 280.481 3.789 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3ccccc3F)C2)CC1 ZINC000360919201 1127520258 /nfs/dbraw/zinc/52/02/58/1127520258.db2.gz LWKJTOZVGLCNJB-GOEBONIOSA-N 2 1 290.426 3.536 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000293847530 1127525303 /nfs/dbraw/zinc/52/53/03/1127525303.db2.gz TZOZZGWQPMUFIR-AWEZNQCLSA-N 2 1 283.419 3.810 20 0 CHADMP CCC1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000296424982 1127671728 /nfs/dbraw/zinc/67/17/28/1127671728.db2.gz LODZPKVRJSLTMA-NNZMDNLPSA-N 2 1 284.447 3.714 20 0 CHADMP c1ccc([C@@H]2CCC[C@H]2C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000297409263 1127695199 /nfs/dbraw/zinc/69/51/99/1127695199.db2.gz LFMUYVXHIFQPHM-PXNSSMCTSA-N 2 1 298.474 3.787 20 0 CHADMP Cc1ccc(C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C2CC2)cc1 ZINC000364451037 1127700842 /nfs/dbraw/zinc/70/08/42/1127700842.db2.gz VSAIYEIDOJTJMY-UFYCRDLUSA-N 2 1 298.474 3.533 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cs1 ZINC000297928854 1127712563 /nfs/dbraw/zinc/71/25/63/1127712563.db2.gz XLTTVPNZZLNQDA-WCQYABFASA-N 2 1 277.437 3.548 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCCCCC[NH3+] ZINC000062018879 1127731144 /nfs/dbraw/zinc/73/11/44/1127731144.db2.gz BKQUDXUHVCJDKL-CYBMUJFWSA-N 2 1 268.832 3.852 20 0 CHADMP CC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000366430648 1127745840 /nfs/dbraw/zinc/74/58/40/1127745840.db2.gz JFDOXGVKGXUYSO-DAWZGUTISA-N 2 1 272.436 3.744 20 0 CHADMP C[C@H](CCc1ccccc1)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000368612401 1127758642 /nfs/dbraw/zinc/75/86/42/1127758642.db2.gz KLEGCTCTNMVBQP-QGZVFWFLSA-N 2 1 286.463 3.568 20 0 CHADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000312584075 1127880449 /nfs/dbraw/zinc/88/04/49/1127880449.db2.gz CFHJIEMQYBPGKK-NFOMZHRRSA-N 2 1 294.870 3.904 20 0 CHADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000312584075 1127880452 /nfs/dbraw/zinc/88/04/52/1127880452.db2.gz CFHJIEMQYBPGKK-NFOMZHRRSA-N 2 1 294.870 3.904 20 0 CHADMP CC[C@@H]1C[C@@H](C)C[NH+]1C/C=C\C[N@@H+]1C[C@@H](C)C[C@H]1CC ZINC000608758125 1127888196 /nfs/dbraw/zinc/88/81/96/1127888196.db2.gz FSJUKYMCFILGJT-DKZKBCFPSA-N 2 1 278.484 3.783 20 0 CHADMP CC[C@@H]1C[C@H](C)C[NH+]1C/C=C\C[N@@H+]1C[C@H](C)C[C@H]1CC ZINC000608758125 1127888201 /nfs/dbraw/zinc/88/82/01/1127888201.db2.gz FSJUKYMCFILGJT-DKZKBCFPSA-N 2 1 278.484 3.783 20 0 CHADMP CC[C@@H]1C[C@H](C)C[NH+]1C/C=C\C[N@H+]1C[C@H](C)C[C@H]1CC ZINC000608758125 1127888203 /nfs/dbraw/zinc/88/82/03/1127888203.db2.gz FSJUKYMCFILGJT-DKZKBCFPSA-N 2 1 278.484 3.783 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC000378961841 1127900478 /nfs/dbraw/zinc/90/04/78/1127900478.db2.gz RBCJNKZPWHHSBH-YRPNKDGESA-N 2 1 298.474 3.677 20 0 CHADMP CC[NH+]1CCC([N@H+](C)CC(CC)(CC)CC)CC1 ZINC000543877588 1127951646 /nfs/dbraw/zinc/95/16/46/1127951646.db2.gz NNYHXCOZXWJIJS-UHFFFAOYSA-N 2 1 254.462 3.619 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)CC(CC)(CC)CC)CC1 ZINC000543877588 1127951647 /nfs/dbraw/zinc/95/16/47/1127951647.db2.gz NNYHXCOZXWJIJS-UHFFFAOYSA-N 2 1 254.462 3.619 20 0 CHADMP Cc1cc(C)cc(C2=CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000539884846 1127951512 /nfs/dbraw/zinc/95/15/12/1127951512.db2.gz FJRLRFQPZJDYDE-FQEVSTJZSA-N 2 1 298.474 3.877 20 0 CHADMP Cc1cc(C)cc(C2=CC[N@H+](CC[C@@H]3CCC[NH+]3C)CC2)c1 ZINC000539884846 1127951516 /nfs/dbraw/zinc/95/15/16/1127951516.db2.gz FJRLRFQPZJDYDE-FQEVSTJZSA-N 2 1 298.474 3.877 20 0 CHADMP Cc1cc(C)cc(C2=CC[N@@H+](CC[C@@H]3CCC[NH+]3C)CC2)c1 ZINC000539884846 1127951519 /nfs/dbraw/zinc/95/15/19/1127951519.db2.gz FJRLRFQPZJDYDE-FQEVSTJZSA-N 2 1 298.474 3.877 20 0 CHADMP CCC(CC)(CC)C[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000544020463 1127955103 /nfs/dbraw/zinc/95/51/03/1127955103.db2.gz JTXVIUJULDVFLK-CABCVRRESA-N 2 1 254.462 3.617 20 0 CHADMP CCC(CC)(CC)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000544020463 1127955106 /nfs/dbraw/zinc/95/51/06/1127955106.db2.gz JTXVIUJULDVFLK-CABCVRRESA-N 2 1 254.462 3.617 20 0 CHADMP CCC(CC)(CC)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000544020463 1127955107 /nfs/dbraw/zinc/95/51/07/1127955107.db2.gz JTXVIUJULDVFLK-CABCVRRESA-N 2 1 254.462 3.617 20 0 CHADMP CCC(CC)(CC)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000544020463 1127955109 /nfs/dbraw/zinc/95/51/09/1127955109.db2.gz JTXVIUJULDVFLK-CABCVRRESA-N 2 1 254.462 3.617 20 0 CHADMP CCC(CC)(CC)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000544020463 1127955112 /nfs/dbraw/zinc/95/51/12/1127955112.db2.gz JTXVIUJULDVFLK-CABCVRRESA-N 2 1 254.462 3.617 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)C1CCCCC1 ZINC000540146609 1127962734 /nfs/dbraw/zinc/96/27/34/1127962734.db2.gz HWYITYCTNJMMBZ-INMHGKMJSA-N 2 1 280.500 3.911 20 0 CHADMP CC(C)[C@H](C)[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000540146048 1127962825 /nfs/dbraw/zinc/96/28/25/1127962825.db2.gz QWMYCBUIWACLIC-ZIFCJYIRSA-N 2 1 288.479 3.921 20 0 CHADMP COc1ccc([C@H]([NH2+]CCC[N@@H+](C)C(C)C)C(C)C)cc1 ZINC000540259556 1127971828 /nfs/dbraw/zinc/97/18/28/1127971828.db2.gz RJUOOTMAZGTEOR-GOSISDBHSA-N 2 1 292.467 3.712 20 0 CHADMP CC(C)[NH+](CCC[NH2+]Cc1cccc(Cl)c1)C(C)C ZINC000467766357 1127979924 /nfs/dbraw/zinc/97/99/24/1127979924.db2.gz BFYGJJMAOHZWBB-UHFFFAOYSA-N 2 1 282.859 3.939 20 0 CHADMP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccccc1F ZINC000545518898 1128018345 /nfs/dbraw/zinc/01/83/45/1128018345.db2.gz FDJQVHSAYNFSBM-AWEZNQCLSA-N 2 1 278.415 3.598 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CC(C)C)CCC2)[C@H](C)C1 ZINC000468873182 1128025823 /nfs/dbraw/zinc/02/58/23/1128025823.db2.gz GFEPHURXOHFNDW-CVEARBPZSA-N 2 1 266.473 3.523 20 0 CHADMP CCC1CCC(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000468962108 1128029902 /nfs/dbraw/zinc/02/99/02/1128029902.db2.gz MCJQTXZZSIQFAD-VXLLPVPCSA-N 2 1 266.473 3.523 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2)C(C)C)[C@H](C)C1 ZINC000469217784 1128038117 /nfs/dbraw/zinc/03/81/17/1128038117.db2.gz SOZZWNOAPPSWTG-NEWSRXKRSA-N 2 1 288.479 3.746 20 0 CHADMP CCC(CC)(CC)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000542018888 1128047963 /nfs/dbraw/zinc/04/79/63/1128047963.db2.gz GCGFHGMHGZTTIG-HOTGVXAUSA-N 2 1 266.473 3.619 20 0 CHADMP CCC(CC)(CC)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000542018888 1128047966 /nfs/dbraw/zinc/04/79/66/1128047966.db2.gz GCGFHGMHGZTTIG-HOTGVXAUSA-N 2 1 266.473 3.619 20 0 CHADMP CCC(CC)(CC)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000542018890 1128048005 /nfs/dbraw/zinc/04/80/05/1128048005.db2.gz GCGFHGMHGZTTIG-JKSUJKDBSA-N 2 1 266.473 3.619 20 0 CHADMP CCC(CC)(CC)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000542018890 1128048010 /nfs/dbraw/zinc/04/80/10/1128048010.db2.gz GCGFHGMHGZTTIG-JKSUJKDBSA-N 2 1 266.473 3.619 20 0 CHADMP CCC1(CC)CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)CC1 ZINC000469735974 1128051859 /nfs/dbraw/zinc/05/18/59/1128051859.db2.gz IDFXHSNGYBMBRI-INIZCTEOSA-N 2 1 266.473 3.763 20 0 CHADMP CCC1(CC)CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000469735974 1128051863 /nfs/dbraw/zinc/05/18/63/1128051863.db2.gz IDFXHSNGYBMBRI-INIZCTEOSA-N 2 1 266.473 3.763 20 0 CHADMP c1ccc([C@H]2CCCCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000469873125 1128056550 /nfs/dbraw/zinc/05/65/50/1128056550.db2.gz XUBQYIKVWGDMCM-SJLPKXTDSA-N 2 1 272.436 3.603 20 0 CHADMP CC(C)c1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000470103638 1128063315 /nfs/dbraw/zinc/06/33/15/1128063315.db2.gz GXGBBELPGMIIQX-MOPGFXCFSA-N 2 1 286.463 3.569 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2cccc(C(F)F)c2)C1 ZINC000470788534 1128077417 /nfs/dbraw/zinc/07/74/17/1128077417.db2.gz GVODDQLADMKLKV-HNNXBMFYSA-N 2 1 296.405 3.788 20 0 CHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+]([C@@H]2CCCc3ccccc32)C1 ZINC000470976420 1128083853 /nfs/dbraw/zinc/08/38/53/1128083853.db2.gz KGMIQHSVJMXIDI-YLJYHZDGSA-N 2 1 298.474 3.728 20 0 CHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000470976420 1128083858 /nfs/dbraw/zinc/08/38/58/1128083858.db2.gz KGMIQHSVJMXIDI-YLJYHZDGSA-N 2 1 298.474 3.728 20 0 CHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000470976420 1128083862 /nfs/dbraw/zinc/08/38/62/1128083862.db2.gz KGMIQHSVJMXIDI-YLJYHZDGSA-N 2 1 298.474 3.728 20 0 CHADMP Cc1ccc([C@H]2CC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)c(C)c1 ZINC000471019717 1128085148 /nfs/dbraw/zinc/08/51/48/1128085148.db2.gz QPLXAIJCKQFEJJ-ROUUACIJSA-N 2 1 286.463 3.577 20 0 CHADMP Cc1ccc([C@H]2CC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)c(C)c1 ZINC000471019717 1128085151 /nfs/dbraw/zinc/08/51/51/1128085151.db2.gz QPLXAIJCKQFEJJ-ROUUACIJSA-N 2 1 286.463 3.577 20 0 CHADMP CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000924694767 1128109883 /nfs/dbraw/zinc/10/98/83/1128109883.db2.gz GYWFSAALJSSJLU-HPFXQQBRSA-N 2 1 276.468 3.728 20 0 CHADMP C[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000252107351 1128116947 /nfs/dbraw/zinc/11/69/47/1128116947.db2.gz HFONGBPUBQPXEW-DQIHPLBOSA-N 2 1 264.457 3.560 20 0 CHADMP C[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000252107351 1128116949 /nfs/dbraw/zinc/11/69/49/1128116949.db2.gz HFONGBPUBQPXEW-DQIHPLBOSA-N 2 1 264.457 3.560 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC000777578468 1128145489 /nfs/dbraw/zinc/14/54/89/1128145489.db2.gz JHGCGXPLMZSBFB-UHFFFAOYSA-N 2 1 292.442 3.708 20 0 CHADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC[C@@H]3C[C@H]3C3CC3)CC[NH2+]2)cc1 ZINC000925802361 1128142270 /nfs/dbraw/zinc/14/22/70/1128142270.db2.gz MQJNSFJCXXONDY-XWSJACJDSA-N 2 1 284.447 3.506 20 0 CHADMP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cc2ccccc2[nH]1 ZINC000926338134 1128167363 /nfs/dbraw/zinc/16/73/63/1128167363.db2.gz WBGZUHBDVFGZEI-OOHWJJMZSA-N 2 1 297.446 3.835 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1cscn1)c1cccc(C[NH+](C)C)c1 ZINC000926691688 1128187634 /nfs/dbraw/zinc/18/76/34/1128187634.db2.gz IRPKHDKUDFXNEV-OLZOCXBDSA-N 2 1 289.448 3.617 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)s1 ZINC000227539579 1128207822 /nfs/dbraw/zinc/20/78/22/1128207822.db2.gz OAEWESSSOOHQJH-GLQYFDAESA-N 2 1 272.417 3.852 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1C[C@@H](C)[C@@H]1C ZINC000494884348 1128208921 /nfs/dbraw/zinc/20/89/21/1128208921.db2.gz XRYGYNHNJKGSCO-VKJFTORMSA-N 2 1 274.452 3.661 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@@H](C)[C@H]2C)c1 ZINC000494906683 1128210974 /nfs/dbraw/zinc/21/09/74/1128210974.db2.gz XGUOFKHINWEXPL-RKVPGOIHSA-N 2 1 274.452 3.661 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[C@@H]1C ZINC000495087051 1128230640 /nfs/dbraw/zinc/23/06/40/1128230640.db2.gz RUFYYOWZNNESCC-KDEOKCCVSA-N 2 1 292.492 3.765 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[C@@H]1C ZINC000495087051 1128230642 /nfs/dbraw/zinc/23/06/42/1128230642.db2.gz RUFYYOWZNNESCC-KDEOKCCVSA-N 2 1 292.492 3.765 20 0 CHADMP CC(C)C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccs1 ZINC000542556302 1128278185 /nfs/dbraw/zinc/27/81/85/1128278185.db2.gz NQTFSAXWPJODBW-LSDHHAIUSA-N 2 1 280.481 3.909 20 0 CHADMP C[C@@H](C[NH2+][C@H]1CCSc2ccc(Cl)cc21)C[NH+](C)C ZINC000336817055 1129228225 /nfs/dbraw/zinc/22/82/25/1129228225.db2.gz OKXMHQLOWLOKGF-FZMZJTMJSA-N 2 1 298.883 3.664 20 0 CHADMP C[C@@H](C[NH2+][C@@H]1CCSc2ccc(Cl)cc21)C[NH+](C)C ZINC000336817057 1129228415 /nfs/dbraw/zinc/22/84/15/1129228415.db2.gz OKXMHQLOWLOKGF-SMDDNHRTSA-N 2 1 298.883 3.664 20 0 CHADMP C[N@H+]1CCC[C@H]1CCN1CC(C)(C)[C@H]1c1cccs1 ZINC000561961424 1128365587 /nfs/dbraw/zinc/36/55/87/1128365587.db2.gz JRQMAHVLRGYSTL-DZGCQCFKSA-N 2 1 278.465 3.615 20 0 CHADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC(C)(C)[C@H]1c1cccs1 ZINC000561961424 1128365591 /nfs/dbraw/zinc/36/55/91/1128365591.db2.gz JRQMAHVLRGYSTL-DZGCQCFKSA-N 2 1 278.465 3.615 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC(C)(C)[C@H]1c1cccs1 ZINC000561961424 1128365596 /nfs/dbraw/zinc/36/55/96/1128365596.db2.gz JRQMAHVLRGYSTL-DZGCQCFKSA-N 2 1 278.465 3.615 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000561961424 1128365600 /nfs/dbraw/zinc/36/56/00/1128365600.db2.gz JRQMAHVLRGYSTL-DZGCQCFKSA-N 2 1 278.465 3.615 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000561961424 1128365604 /nfs/dbraw/zinc/36/56/04/1128365604.db2.gz JRQMAHVLRGYSTL-DZGCQCFKSA-N 2 1 278.465 3.615 20 0 CHADMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000561983820 1128368206 /nfs/dbraw/zinc/36/82/06/1128368206.db2.gz UNTZMAROSNADGR-CRAIPNDOSA-N 2 1 298.430 3.719 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(-c2ccccc2)o1 ZINC000561983820 1128368219 /nfs/dbraw/zinc/36/82/19/1128368219.db2.gz UNTZMAROSNADGR-CRAIPNDOSA-N 2 1 298.430 3.719 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(-c2ccccc2)o1 ZINC000561983820 1128368224 /nfs/dbraw/zinc/36/82/24/1128368224.db2.gz UNTZMAROSNADGR-CRAIPNDOSA-N 2 1 298.430 3.719 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000561983820 1128368227 /nfs/dbraw/zinc/36/82/27/1128368227.db2.gz UNTZMAROSNADGR-CRAIPNDOSA-N 2 1 298.430 3.719 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000561983820 1128368231 /nfs/dbraw/zinc/36/82/31/1128368231.db2.gz UNTZMAROSNADGR-CRAIPNDOSA-N 2 1 298.430 3.719 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)C1 ZINC000562078080 1128377033 /nfs/dbraw/zinc/37/70/33/1128377033.db2.gz RSWQIKPZCNPUCU-BRWVUGGUSA-N 2 1 280.500 3.769 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](C)C(C)(C)C)C1 ZINC000670268128 1128379243 /nfs/dbraw/zinc/37/92/43/1128379243.db2.gz JVPBACHXUOBNJK-CVEARBPZSA-N 2 1 268.489 3.626 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(C)(C)C1 ZINC000398170040 1128393361 /nfs/dbraw/zinc/39/33/61/1128393361.db2.gz ULIDTNPZZUGKDV-CRAIPNDOSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(C)(C)C1 ZINC000398170040 1128393363 /nfs/dbraw/zinc/39/33/63/1128393363.db2.gz ULIDTNPZZUGKDV-CRAIPNDOSA-N 2 1 286.463 3.675 20 0 CHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC2(C)CC2)CC1 ZINC000562340162 1128395434 /nfs/dbraw/zinc/39/54/34/1128395434.db2.gz KOIZKTPONGJCDX-UHFFFAOYSA-N 2 1 286.463 3.631 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2cccs2)C2CCCC2)C1 ZINC000037644649 1128433550 /nfs/dbraw/zinc/43/35/50/1128433550.db2.gz SZAUIFLXOZCTFI-RHSMWYFYSA-N 2 1 292.492 3.911 20 0 CHADMP c1ccc([C@@H]2CCCC[N@@H+]2CC[C@H]2CCCC[NH2+]2)cc1 ZINC001205171636 1128433812 /nfs/dbraw/zinc/43/38/12/1128433812.db2.gz VDBQPVWKEUPYLU-MSOLQXFVSA-N 2 1 272.436 3.746 20 0 CHADMP CCCc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CC)C2)cc1 ZINC000037643998 1128434237 /nfs/dbraw/zinc/43/42/37/1128434237.db2.gz HGGLQSQSYCLCSM-DOTOQJQBSA-N 2 1 274.452 3.632 20 0 CHADMP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1cccc(O)c1 ZINC000037901118 1128437389 /nfs/dbraw/zinc/43/73/89/1128437389.db2.gz GYCWXFRZOMCOFT-HNNXBMFYSA-N 2 1 290.451 3.697 20 0 CHADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cccc(O)c1 ZINC000037901118 1128437390 /nfs/dbraw/zinc/43/73/90/1128437390.db2.gz GYCWXFRZOMCOFT-HNNXBMFYSA-N 2 1 290.451 3.697 20 0 CHADMP CC1(C)CC([NH2+]Cc2cc(Cl)ccc2F)CC(C)(C)[NH2+]1 ZINC000125122825 1128447472 /nfs/dbraw/zinc/44/74/72/1128447472.db2.gz AMNYXEGBBQAHRE-UHFFFAOYSA-N 2 1 298.833 3.878 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C(C)(C)C ZINC000126870584 1128470358 /nfs/dbraw/zinc/47/03/58/1128470358.db2.gz JQCVZUHWSUSPBH-LSDHHAIUSA-N 2 1 294.508 3.984 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C(C)(C)C ZINC000126870584 1128470360 /nfs/dbraw/zinc/47/03/60/1128470360.db2.gz JQCVZUHWSUSPBH-LSDHHAIUSA-N 2 1 294.508 3.984 20 0 CHADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccccc2)cc1F ZINC000563721312 1128476144 /nfs/dbraw/zinc/47/61/44/1128476144.db2.gz GFBFXPCEEYCDKU-KBXCAEBGSA-N 2 1 298.405 3.804 20 0 CHADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccccc2)cc1F ZINC000563721312 1128476148 /nfs/dbraw/zinc/47/61/48/1128476148.db2.gz GFBFXPCEEYCDKU-KBXCAEBGSA-N 2 1 298.405 3.804 20 0 CHADMP CSc1ccc([C@@H](C)[NH2+]CCC[NH2+]C(C)C)cc1F ZINC000563880417 1128483476 /nfs/dbraw/zinc/48/34/76/1128483476.db2.gz LYWVUSIWINOPJI-GFCCVEGCSA-N 2 1 284.444 3.586 20 0 CHADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000565155977 1128520915 /nfs/dbraw/zinc/52/09/15/1128520915.db2.gz IHRLJTBXOMYYRL-HOTGVXAUSA-N 2 1 277.456 3.547 20 0 CHADMP C[N@H+](CC[NH2+]C1CCC(C(F)(F)F)CC1)C1CCCC1 ZINC000069374136 1128538597 /nfs/dbraw/zinc/53/85/97/1128538597.db2.gz URYMPIXVEBGVPP-UHFFFAOYSA-N 2 1 292.389 3.572 20 0 CHADMP C[N@@H+](CC[NH2+]C1CCC(C(F)(F)F)CC1)C1CCCC1 ZINC000069374136 1128538599 /nfs/dbraw/zinc/53/85/99/1128538599.db2.gz URYMPIXVEBGVPP-UHFFFAOYSA-N 2 1 292.389 3.572 20 0 CHADMP Cc1nccn1CCC[N@H+](C)CCc1ccc(C(C)C)cc1 ZINC000566646772 1128549316 /nfs/dbraw/zinc/54/93/16/1128549316.db2.gz UYKJOBSCLQDLFM-UHFFFAOYSA-N 2 1 299.462 3.880 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1ccc(C(C)C)cc1 ZINC000566646772 1128549318 /nfs/dbraw/zinc/54/93/18/1128549318.db2.gz UYKJOBSCLQDLFM-UHFFFAOYSA-N 2 1 299.462 3.880 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1ccc(C(C)C)cc1 ZINC000566646772 1128549321 /nfs/dbraw/zinc/54/93/21/1128549321.db2.gz UYKJOBSCLQDLFM-UHFFFAOYSA-N 2 1 299.462 3.880 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]CCCC2CC2)C[C@@H]1c1ccccc1 ZINC000556118371 1128550322 /nfs/dbraw/zinc/55/03/22/1128550322.db2.gz NLBZYQSABQRCES-QZTJIDSGSA-N 2 1 272.436 3.602 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CCCC2CC2)C[C@@H]1c1ccccc1 ZINC000556118371 1128550327 /nfs/dbraw/zinc/55/03/27/1128550327.db2.gz NLBZYQSABQRCES-QZTJIDSGSA-N 2 1 272.436 3.602 20 0 CHADMP CC1(C)CC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC(C)(C)C1 ZINC000129690038 1128550877 /nfs/dbraw/zinc/55/08/77/1128550877.db2.gz SMBBHMRQAAMPJM-CQSZACIVSA-N 2 1 278.484 3.665 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC2CCCCCC2)CC1 ZINC000567312517 1128562249 /nfs/dbraw/zinc/56/22/49/1128562249.db2.gz WYANCOKQNZLNBU-QGZVFWFLSA-N 2 1 266.473 3.763 20 0 CHADMP CC[N@@H+](CCC1CC[NH+](Cc2ccco2)CC1)CC(C)C ZINC000567429295 1128564611 /nfs/dbraw/zinc/56/46/11/1128564611.db2.gz IAXQMFIJVJBXEH-UHFFFAOYSA-N 2 1 292.467 3.860 20 0 CHADMP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000567875212 1128573774 /nfs/dbraw/zinc/57/37/74/1128573774.db2.gz WYFYDWQDNRHSNL-BRSBDYLESA-N 2 1 272.436 3.600 20 0 CHADMP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000567875212 1128573775 /nfs/dbraw/zinc/57/37/75/1128573775.db2.gz WYFYDWQDNRHSNL-BRSBDYLESA-N 2 1 272.436 3.600 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC2CC(c3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000568542901 1128586854 /nfs/dbraw/zinc/58/68/54/1128586854.db2.gz KVLTUITWCAKMIG-SAETXWKOSA-N 2 1 298.474 3.643 20 0 CHADMP C[C@H](CCC1CC1)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000568787193 1128591780 /nfs/dbraw/zinc/59/17/80/1128591780.db2.gz FEPQQYXRQVCNMJ-MNEFBYGVSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@H](CCC1CC1)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000568787193 1128591783 /nfs/dbraw/zinc/59/17/83/1128591783.db2.gz FEPQQYXRQVCNMJ-MNEFBYGVSA-N 2 1 286.463 3.990 20 0 CHADMP CC[C@@H](F)CN[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000569022412 1128597019 /nfs/dbraw/zinc/59/70/19/1128597019.db2.gz QYRVPWDSUCCGCE-SJORKVTESA-N 2 1 292.442 3.625 20 0 CHADMP CC[C@@H](F)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000569022412 1128597020 /nfs/dbraw/zinc/59/70/20/1128597020.db2.gz QYRVPWDSUCCGCE-SJORKVTESA-N 2 1 292.442 3.625 20 0 CHADMP CC[C@@H](F)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000569022412 1128597023 /nfs/dbraw/zinc/59/70/23/1128597023.db2.gz QYRVPWDSUCCGCE-SJORKVTESA-N 2 1 292.442 3.625 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000569927023 1128611944 /nfs/dbraw/zinc/61/19/44/1128611944.db2.gz LHQCWEIQBNFLHM-NJAFHUGGSA-N 2 1 284.447 3.572 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000569927023 1128611947 /nfs/dbraw/zinc/61/19/47/1128611947.db2.gz LHQCWEIQBNFLHM-NJAFHUGGSA-N 2 1 284.447 3.572 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236214518 1128617392 /nfs/dbraw/zinc/61/73/92/1128617392.db2.gz FDVCPAYFIXOJLR-HZPDHXFCSA-N 2 1 280.843 3.659 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236214518 1128617394 /nfs/dbraw/zinc/61/73/94/1128617394.db2.gz FDVCPAYFIXOJLR-HZPDHXFCSA-N 2 1 280.843 3.659 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@@H]3C[C@H]4C[C@H]4C3)CC23CC3)cc1 ZINC000570514555 1128624945 /nfs/dbraw/zinc/62/49/45/1128624945.db2.gz QVRCNZHCZDMAMU-FCGDIQPGSA-N 2 1 296.458 3.572 20 0 CHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+][C@@H]3C[C@H]4C[C@H]4C3)CC23CC3)cc1 ZINC000570514555 1128624948 /nfs/dbraw/zinc/62/49/48/1128624948.db2.gz QVRCNZHCZDMAMU-FCGDIQPGSA-N 2 1 296.458 3.572 20 0 CHADMP CC(C)[C@H]1CC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000556859682 1128631417 /nfs/dbraw/zinc/63/14/17/1128631417.db2.gz WLKLJRXUWIFISN-ZACQAIPSSA-N 2 1 266.473 3.523 20 0 CHADMP CC(C)[C@@H]1CC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000556859681 1128631659 /nfs/dbraw/zinc/63/16/59/1128631659.db2.gz WLKLJRXUWIFISN-IXDOHACOSA-N 2 1 266.473 3.523 20 0 CHADMP CCCc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000572167246 1128643421 /nfs/dbraw/zinc/64/34/21/1128643421.db2.gz XNTDWXUVBWFMCF-DFNIBXOVSA-N 2 1 286.463 3.696 20 0 CHADMP CCCc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000572167246 1128643423 /nfs/dbraw/zinc/64/34/23/1128643423.db2.gz XNTDWXUVBWFMCF-DFNIBXOVSA-N 2 1 286.463 3.696 20 0 CHADMP CCCc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000572167246 1128643426 /nfs/dbraw/zinc/64/34/26/1128643426.db2.gz XNTDWXUVBWFMCF-DFNIBXOVSA-N 2 1 286.463 3.696 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000572506967 1128645570 /nfs/dbraw/zinc/64/55/70/1128645570.db2.gz XCUITNPYZQOZHH-CWQOZTLDSA-N 2 1 278.484 3.664 20 0 CHADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000572920715 1128649438 /nfs/dbraw/zinc/64/94/38/1128649438.db2.gz ICHLKFODZYYVHX-RFSCMCKOSA-N 2 1 296.405 3.531 20 0 CHADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000572920715 1128649442 /nfs/dbraw/zinc/64/94/42/1128649442.db2.gz ICHLKFODZYYVHX-RFSCMCKOSA-N 2 1 296.405 3.531 20 0 CHADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000573947923 1128659630 /nfs/dbraw/zinc/65/96/30/1128659630.db2.gz QIYDBPNKVAOAAS-RBUKOAKNSA-N 2 1 286.463 3.598 20 0 CHADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001258052720 1128702752 /nfs/dbraw/zinc/70/27/52/1128702752.db2.gz RSIZCMVTOYCAKK-NNXHMXCWSA-N 2 1 266.473 3.662 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C/C=C\c1ccccc1 ZINC000578264238 1128713233 /nfs/dbraw/zinc/71/32/33/1128713233.db2.gz NXGSYZSKNIVLCJ-XFFZJAGNSA-N 2 1 297.446 3.871 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C/C=C\c1ccccc1 ZINC000578264238 1128713236 /nfs/dbraw/zinc/71/32/36/1128713236.db2.gz NXGSYZSKNIVLCJ-XFFZJAGNSA-N 2 1 297.446 3.871 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001258056466 1128713928 /nfs/dbraw/zinc/71/39/28/1128713928.db2.gz PKZDFKPVILAWFX-JYJNAYRXSA-N 2 1 254.462 3.521 20 0 CHADMP Cc1cc([C@@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)s1 ZINC000135199189 1128715801 /nfs/dbraw/zinc/71/58/01/1128715801.db2.gz LBKPZSPCSLLRRF-VHDGCEQUSA-N 2 1 278.465 3.642 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000578904016 1128732478 /nfs/dbraw/zinc/73/24/78/1128732478.db2.gz FFTMNGLDWXSCOW-MOPGFXCFSA-N 2 1 297.446 3.621 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000578904016 1128732481 /nfs/dbraw/zinc/73/24/81/1128732481.db2.gz FFTMNGLDWXSCOW-MOPGFXCFSA-N 2 1 297.446 3.621 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+](CC2CCCC2)CC1 ZINC000195667386 1128735240 /nfs/dbraw/zinc/73/52/40/1128735240.db2.gz MRFAGSHXNDZKEG-UHFFFAOYSA-N 2 1 266.473 3.621 20 0 CHADMP CC1(C)Cc2occc2[C@@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000643546700 1117792756 /nfs/dbraw/zinc/79/27/56/1117792756.db2.gz SUZIZCLOXZITRF-ZFWWWQNUSA-N 2 1 288.435 3.557 20 0 CHADMP C[N@H+]1CC[C@H](NCc2ccc(-c3ccccc3)o2)CC1(C)C ZINC000623364173 1117842578 /nfs/dbraw/zinc/84/25/78/1117842578.db2.gz XJGYFVXIHBXDRW-INIZCTEOSA-N 2 1 298.430 3.909 20 0 CHADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000623379977 1117847478 /nfs/dbraw/zinc/84/74/78/1117847478.db2.gz NCYQRZRBMNGTDB-HOCLYGCPSA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623400732 1117851747 /nfs/dbraw/zinc/85/17/47/1117851747.db2.gz DAAFHAIQILIPBX-BZUAXINKSA-N 2 1 266.473 3.664 20 0 CHADMP Cc1ccccc1[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C1CC1 ZINC000623416309 1117852906 /nfs/dbraw/zinc/85/29/06/1117852906.db2.gz QEOOFIATVDQMMT-FUHWJXTLSA-N 2 1 286.463 3.909 20 0 CHADMP Cc1ccc([C@H](C)C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623426273 1117853466 /nfs/dbraw/zinc/85/34/66/1117853466.db2.gz HOHYYWSPEXSMRX-WBVHZDCISA-N 2 1 274.452 3.561 20 0 CHADMP CC[C@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1F ZINC000623426459 1117854313 /nfs/dbraw/zinc/85/43/13/1117854313.db2.gz MNRNYZOXSRKUGD-CJNGLKHVSA-N 2 1 296.405 3.878 20 0 CHADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623439688 1117856754 /nfs/dbraw/zinc/85/67/54/1117856754.db2.gz TXQPDHKUPQECLQ-QLFBSQMISA-N 2 1 266.473 3.664 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3sccc32)CC1(C)C ZINC000623494344 1117861722 /nfs/dbraw/zinc/86/17/22/1117861722.db2.gz NIECYCYPLMWLJQ-TZMCWYRMSA-N 2 1 278.465 3.588 20 0 CHADMP [NH3+]CCC[N@@H+](C1CCCCC1)C1CCCCCC1 ZINC000036732281 1117883702 /nfs/dbraw/zinc/88/37/02/1117883702.db2.gz IBEHJLGKVBBHDW-UHFFFAOYSA-N 2 1 252.446 3.693 20 0 CHADMP c1c2ccccc2oc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000178540710 1117892405 /nfs/dbraw/zinc/89/24/05/1117892405.db2.gz SMGFRQSPYMMCOQ-MRXNPFEDSA-N 2 1 298.430 3.741 20 0 CHADMP c1c2ccccc2oc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000178540710 1117892408 /nfs/dbraw/zinc/89/24/08/1117892408.db2.gz SMGFRQSPYMMCOQ-MRXNPFEDSA-N 2 1 298.430 3.741 20 0 CHADMP C[C@]1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C[C@H]2C[C@H]2C1 ZINC000623739725 1117909894 /nfs/dbraw/zinc/90/98/94/1117909894.db2.gz DZWGRYMSLUSVMR-RUYXUALKSA-N 2 1 298.474 3.677 20 0 CHADMP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](CCC2CC2)CC1 ZINC001208685641 1117912084 /nfs/dbraw/zinc/91/20/84/1117912084.db2.gz FUYPCCJUIRDJHJ-UHFFFAOYSA-N 2 1 290.426 3.522 20 0 CHADMP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](CCC2CC2)CC1 ZINC001208685641 1117912086 /nfs/dbraw/zinc/91/20/86/1117912086.db2.gz FUYPCCJUIRDJHJ-UHFFFAOYSA-N 2 1 290.426 3.522 20 0 CHADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000624119849 1117983841 /nfs/dbraw/zinc/98/38/41/1117983841.db2.gz KWEXDPSTKDUESQ-GOEBONIOSA-N 2 1 290.476 3.545 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000624120017 1117983988 /nfs/dbraw/zinc/98/39/88/1117983988.db2.gz POHXIQRBOILMPD-YOEHRIQHSA-N 2 1 278.415 3.598 20 0 CHADMP CSc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624120249 1117985090 /nfs/dbraw/zinc/98/50/90/1117985090.db2.gz UTSKGVBSRLKDJN-LSDHHAIUSA-N 2 1 292.492 3.791 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc(F)ccc1F ZINC000624120593 1117985244 /nfs/dbraw/zinc/98/52/44/1117985244.db2.gz CDXOVPMSRGGRFL-CXAGYDPISA-N 2 1 296.405 3.737 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(F)ccc1F ZINC000624120593 1117985248 /nfs/dbraw/zinc/98/52/48/1117985248.db2.gz CDXOVPMSRGGRFL-CXAGYDPISA-N 2 1 296.405 3.737 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccccc1F ZINC000624121731 1117985256 /nfs/dbraw/zinc/98/52/56/1117985256.db2.gz BZTWVTZMBKXEFU-YOEHRIQHSA-N 2 1 278.415 3.598 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1F ZINC000624121731 1117985260 /nfs/dbraw/zinc/98/52/60/1117985260.db2.gz BZTWVTZMBKXEFU-YOEHRIQHSA-N 2 1 278.415 3.598 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1nccc2ccccc21 ZINC000624123567 1117986922 /nfs/dbraw/zinc/98/69/22/1117986922.db2.gz OGXPHMDXKJZKOF-CVEARBPZSA-N 2 1 297.446 3.617 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1nccc2ccccc21 ZINC000624123567 1117986925 /nfs/dbraw/zinc/98/69/25/1117986925.db2.gz OGXPHMDXKJZKOF-CVEARBPZSA-N 2 1 297.446 3.617 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(C2CC2)c1 ZINC000624124163 1117987621 /nfs/dbraw/zinc/98/76/21/1117987621.db2.gz YRKQCLSSAZHREB-JKSUJKDBSA-N 2 1 286.463 3.947 20 0 CHADMP C[C@@H]1CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000353816460 1117996683 /nfs/dbraw/zinc/99/66/83/1117996683.db2.gz MOKHSSATWKATFR-JUFRUHRKSA-N 2 1 284.447 3.570 20 0 CHADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1cc2cc(Cl)ccc2o1 ZINC000181392950 1117998129 /nfs/dbraw/zinc/99/81/29/1117998129.db2.gz UUIDBCLAXUOUAF-LLVKDONJSA-N 2 1 280.799 3.689 20 0 CHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000237668198 1128750286 /nfs/dbraw/zinc/75/02/86/1128750286.db2.gz PWROOGMWDSNTRU-INIZCTEOSA-N 2 1 299.462 3.770 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(C)oc3ccccc32)[C@H](C)C1 ZINC000182461871 1118022745 /nfs/dbraw/zinc/02/27/45/1118022745.db2.gz YHXILYCYIFJPIF-CXAGYDPISA-N 2 1 286.419 3.561 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccc(Cl)cc1 ZINC000037644080 1118033005 /nfs/dbraw/zinc/03/30/05/1118033005.db2.gz QMZLUPMQQXYCKX-XJKSGUPXSA-N 2 1 280.843 3.723 20 0 CHADMP CCC[C@@H](C)C[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000579647120 1128753768 /nfs/dbraw/zinc/75/37/68/1128753768.db2.gz GOGDWLVDCNUKHK-OAHLLOKOSA-N 2 1 265.445 3.594 20 0 CHADMP CCC[C@@H](C)C[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000579647120 1128753771 /nfs/dbraw/zinc/75/37/71/1128753771.db2.gz GOGDWLVDCNUKHK-OAHLLOKOSA-N 2 1 265.445 3.594 20 0 CHADMP Cc1cc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)ccc1F ZINC001205186730 1118089793 /nfs/dbraw/zinc/08/97/93/1118089793.db2.gz ADQAQEWIROBWLQ-UHFFFAOYSA-N 2 1 292.442 3.686 20 0 CHADMP CC(C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398208704 1118099085 /nfs/dbraw/zinc/09/90/85/1118099085.db2.gz RTKZQEDLQXOMFK-WMZOPIPTSA-N 2 1 274.452 3.533 20 0 CHADMP CC(C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398208704 1118099091 /nfs/dbraw/zinc/09/90/91/1118099091.db2.gz RTKZQEDLQXOMFK-WMZOPIPTSA-N 2 1 274.452 3.533 20 0 CHADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000579897822 1118100067 /nfs/dbraw/zinc/10/00/67/1118100067.db2.gz LVZMISUGNBJXKC-CGTJXYLNSA-N 2 1 274.452 3.641 20 0 CHADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000579897822 1118100070 /nfs/dbraw/zinc/10/00/70/1118100070.db2.gz LVZMISUGNBJXKC-CGTJXYLNSA-N 2 1 274.452 3.641 20 0 CHADMP CCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398214065 1118100344 /nfs/dbraw/zinc/10/03/44/1118100344.db2.gz UHOGVFFGNNCWHR-AEFFLSMTSA-N 2 1 274.452 3.677 20 0 CHADMP CCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398214065 1118100345 /nfs/dbraw/zinc/10/03/45/1118100345.db2.gz UHOGVFFGNNCWHR-AEFFLSMTSA-N 2 1 274.452 3.677 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(C3CC3)c2)C1 ZINC000340188101 1118106106 /nfs/dbraw/zinc/10/61/06/1118106106.db2.gz DWYGJEZGKGYETG-HUUCEWRRSA-N 2 1 272.436 3.556 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CCC(C)CC2)c1 ZINC000236877932 1118120071 /nfs/dbraw/zinc/12/00/71/1118120071.db2.gz XXUZGKGDWKBEKZ-UHFFFAOYSA-N 2 1 274.452 3.807 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1ccoc1 ZINC000765453652 1118153292 /nfs/dbraw/zinc/15/32/92/1118153292.db2.gz QHZXVPZKHXFYLJ-OAHLLOKOSA-N 2 1 290.451 3.975 20 0 CHADMP c1ccc2c(c1)CCC[C@@H]2[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225881441 1118168058 /nfs/dbraw/zinc/16/80/58/1118168058.db2.gz CBUBNWBCBHBOAX-NEWSRXKRSA-N 2 1 284.447 3.528 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CC[C@H](C)SC2)C1 ZINC000655692555 1118185298 /nfs/dbraw/zinc/18/52/98/1118185298.db2.gz QLPFFANFZGLEHY-YVSFHVDLSA-N 2 1 298.540 3.618 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000765759155 1118240993 /nfs/dbraw/zinc/24/09/93/1118240993.db2.gz SZPOWFLRHFXVIQ-LAVFITLUSA-N 2 1 289.467 3.776 20 0 CHADMP C[C@H](F)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000340458001 1118262001 /nfs/dbraw/zinc/26/20/01/1118262001.db2.gz FPCILAVFDJCDQC-MIGBEJBISA-N 2 1 290.426 3.520 20 0 CHADMP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000655940935 1118277142 /nfs/dbraw/zinc/27/71/42/1118277142.db2.gz HUMMJHCVTIBNBS-YOEHRIQHSA-N 2 1 292.854 3.612 20 0 CHADMP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000655940935 1118277147 /nfs/dbraw/zinc/27/71/47/1118277147.db2.gz HUMMJHCVTIBNBS-YOEHRIQHSA-N 2 1 292.854 3.612 20 0 CHADMP Cc1cc([C@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)c(C)o1 ZINC000683692296 1118288846 /nfs/dbraw/zinc/28/88/46/1118288846.db2.gz RRKFDPBAHWREJE-ZFWWWQNUSA-N 2 1 278.440 3.812 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2F)cc1 ZINC000340525190 1118316697 /nfs/dbraw/zinc/31/66/97/1118316697.db2.gz WCQAATRQDXQJIS-JCURWCKSSA-N 2 1 287.382 3.722 20 0 CHADMP CCCC[N@@H+](CC)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC000148977186 1118319957 /nfs/dbraw/zinc/31/99/57/1118319957.db2.gz LTTZNRDNXOTTRM-UHFFFAOYSA-N 2 1 254.462 3.760 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001649095584 1118347122 /nfs/dbraw/zinc/34/71/22/1118347122.db2.gz FXFUZDYDKHUMGL-NJAFHUGGSA-N 2 1 278.484 3.809 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3cnccc3c2)C[C@H]1C ZINC000683831053 1118398337 /nfs/dbraw/zinc/39/83/37/1118398337.db2.gz GLGSGXFWOUGYHF-BEFAXECRSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3cnccc3c2)C[C@H]1C ZINC000683831053 1118398341 /nfs/dbraw/zinc/39/83/41/1118398341.db2.gz GLGSGXFWOUGYHF-BEFAXECRSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3cnccc3c2)C[C@H]1C ZINC000683831053 1118398346 /nfs/dbraw/zinc/39/83/46/1118398346.db2.gz GLGSGXFWOUGYHF-BEFAXECRSA-N 2 1 297.446 3.539 20 0 CHADMP CC[N@@H+](Cc1cc2ccccc2s1)C1CCN(C)CC1 ZINC001137685650 1118408261 /nfs/dbraw/zinc/40/82/61/1118408261.db2.gz SSOAFZQZMDOWOG-UHFFFAOYSA-N 2 1 288.460 3.817 20 0 CHADMP CC(C)[C@H](C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)[NH+]1CCCC1 ZINC000084982821 1118506552 /nfs/dbraw/zinc/50/65/52/1118506552.db2.gz PABQBLHFOGGENX-NXOAAHMSSA-N 2 1 266.473 3.521 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000580916404 1118521541 /nfs/dbraw/zinc/52/15/41/1118521541.db2.gz UCNLCTKZTIUZOI-MJBXVCDLSA-N 2 1 294.405 3.818 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000580916404 1118521543 /nfs/dbraw/zinc/52/15/43/1118521543.db2.gz UCNLCTKZTIUZOI-MJBXVCDLSA-N 2 1 294.405 3.818 20 0 CHADMP CC[C@H]1c2ccccc2CC[N@H+]1CCCCn1cc[nH+]c1C ZINC000124004594 1118579137 /nfs/dbraw/zinc/57/91/37/1118579137.db2.gz ITGDGGBVMKUWNC-IBGZPJMESA-N 2 1 297.446 3.981 20 0 CHADMP CC[C@H]1c2ccccc2CC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000124004594 1118579140 /nfs/dbraw/zinc/57/91/40/1118579140.db2.gz ITGDGGBVMKUWNC-IBGZPJMESA-N 2 1 297.446 3.981 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000091870507 1118582576 /nfs/dbraw/zinc/58/25/76/1118582576.db2.gz VSADOTPJRQCZGH-UHFFFAOYSA-N 2 1 288.479 3.947 20 0 CHADMP CC(C)CCC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000779216875 1128788290 /nfs/dbraw/zinc/78/82/90/1128788290.db2.gz WEQMVQRDIJVELS-UHFFFAOYSA-N 2 1 262.441 3.616 20 0 CHADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000834908416 1118626338 /nfs/dbraw/zinc/62/63/38/1118626338.db2.gz JSORFGOAGGOWTH-CQSZACIVSA-N 2 1 278.415 3.659 20 0 CHADMP CCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647166988 1118629522 /nfs/dbraw/zinc/62/95/22/1118629522.db2.gz LMRCUSVAJUZWRZ-SFHVURJKSA-N 2 1 286.463 3.963 20 0 CHADMP CCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647166988 1118629526 /nfs/dbraw/zinc/62/95/26/1118629526.db2.gz LMRCUSVAJUZWRZ-SFHVURJKSA-N 2 1 286.463 3.963 20 0 CHADMP CC/C=C\CC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000341282455 1118651735 /nfs/dbraw/zinc/65/17/35/1118651735.db2.gz BVDQECBANVQMSA-PLNGDYQASA-N 2 1 287.451 3.586 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723699034 1118708455 /nfs/dbraw/zinc/70/84/55/1118708455.db2.gz LZEHRAGSGPEPAE-CABCVRRESA-N 2 1 268.404 3.572 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723700159 1118708515 /nfs/dbraw/zinc/70/85/15/1118708515.db2.gz YUSJDBKWXZBYJR-HUUCEWRRSA-N 2 1 268.404 3.572 20 0 CHADMP C[C@@H]1C[C@@H](Nc2cc[nH+]c3cc(Cl)ccc23)CC[N@@H+]1C ZINC000090795110 1118764781 /nfs/dbraw/zinc/76/47/81/1118764781.db2.gz LZTUEMMSYUYEJR-YPMHNXCESA-N 2 1 289.810 3.783 20 0 CHADMP C[C@@H]1C[C@@H](Nc2cc[nH+]c3cc(Cl)ccc23)CC[N@H+]1C ZINC000090795110 1118764783 /nfs/dbraw/zinc/76/47/83/1118764783.db2.gz LZTUEMMSYUYEJR-YPMHNXCESA-N 2 1 289.810 3.783 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)CC[C@@H]2CC)C1 ZINC000430732714 1118765357 /nfs/dbraw/zinc/76/53/57/1118765357.db2.gz PYEXRVFNFFGMPE-WCXIOVBPSA-N 2 1 266.473 3.523 20 0 CHADMP Cc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000426317981 1118776653 /nfs/dbraw/zinc/77/66/53/1118776653.db2.gz PDFDVAOHQJCFRO-SJORKVTESA-N 2 1 288.479 3.653 20 0 CHADMP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H]2CCCF)CCCCC1 ZINC000510707688 1118792065 /nfs/dbraw/zinc/79/20/65/1118792065.db2.gz XDTSYUXFZUXREF-HOTGVXAUSA-N 2 1 284.463 3.759 20 0 CHADMP C[N@@H+](Cc1ccc(Cl)cc1Cl)C1CCC([NH3+])CC1 ZINC000091844764 1118835690 /nfs/dbraw/zinc/83/56/90/1118835690.db2.gz ZLAKIVUQAXJTHM-UHFFFAOYSA-N 2 1 287.234 3.695 20 0 CHADMP c1ccc(C([NH2+][C@@H]2CCC[NH2+]CC2)c2ccccc2)cc1 ZINC000133560407 1118865018 /nfs/dbraw/zinc/86/50/18/1118865018.db2.gz VZLYZGWSOXDPHS-GOSISDBHSA-N 2 1 280.415 3.508 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3CC[C@@H]3C3CCC3)C2)cc1 ZINC000511011990 1118944947 /nfs/dbraw/zinc/94/49/47/1118944947.db2.gz IXNOXGNPGGZINW-RLLQIKCJSA-N 2 1 298.474 3.677 20 0 CHADMP Cc1cccc2[nH]c(C[NH2+]C[C@H]3CCC[N@H+](C(C)C)C3)cc21 ZINC000657348451 1119019599 /nfs/dbraw/zinc/01/95/99/1119019599.db2.gz WOXYIUDXKVSSGL-MRXNPFEDSA-N 2 1 299.462 3.686 20 0 CHADMP Cc1ccc([C@H](C)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000628190950 1128824757 /nfs/dbraw/zinc/82/47/57/1128824757.db2.gz VPYNNEGENMZAIL-NZSAHSFTSA-N 2 1 286.463 3.515 20 0 CHADMP Cc1ccc([C@H](C)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000628190950 1128824762 /nfs/dbraw/zinc/82/47/62/1128824762.db2.gz VPYNNEGENMZAIL-NZSAHSFTSA-N 2 1 286.463 3.515 20 0 CHADMP Cc1ccc([C@H](C)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000628190950 1128824766 /nfs/dbraw/zinc/82/47/66/1128824766.db2.gz VPYNNEGENMZAIL-NZSAHSFTSA-N 2 1 286.463 3.515 20 0 CHADMP Cc1ccc([C@H](C)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000628190949 1128824904 /nfs/dbraw/zinc/82/49/04/1128824904.db2.gz VPYNNEGENMZAIL-NEWSRXKRSA-N 2 1 286.463 3.515 20 0 CHADMP Cc1ccc([C@H](C)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000628190949 1128824909 /nfs/dbraw/zinc/82/49/09/1128824909.db2.gz VPYNNEGENMZAIL-NEWSRXKRSA-N 2 1 286.463 3.515 20 0 CHADMP Cc1ccc([C@H](C)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000628190949 1128824915 /nfs/dbraw/zinc/82/49/15/1128824915.db2.gz VPYNNEGENMZAIL-NEWSRXKRSA-N 2 1 286.463 3.515 20 0 CHADMP C[C@H]1CC[C@@](C)(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1(C)C ZINC000657589316 1119198916 /nfs/dbraw/zinc/19/89/16/1119198916.db2.gz IJNAXYFYKXEPNJ-OVWQWFNUSA-N 2 1 278.484 3.665 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](CC(C)C)CC(C)(C)C ZINC000342861725 1119215248 /nfs/dbraw/zinc/21/52/48/1119215248.db2.gz WIGPDPXGWWZPBF-UHFFFAOYSA-N 2 1 265.445 3.586 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](CC(C)C)CC(C)(C)C ZINC000342861725 1119215250 /nfs/dbraw/zinc/21/52/50/1119215250.db2.gz WIGPDPXGWWZPBF-UHFFFAOYSA-N 2 1 265.445 3.586 20 0 CHADMP Cc1nccn1CCC[N@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000342863719 1119217394 /nfs/dbraw/zinc/21/73/94/1119217394.db2.gz IZPKKCPZSHKXTF-OAHLLOKOSA-N 2 1 283.419 3.807 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000342863719 1119217397 /nfs/dbraw/zinc/21/73/97/1119217397.db2.gz IZPKKCPZSHKXTF-OAHLLOKOSA-N 2 1 283.419 3.807 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000342863719 1119217401 /nfs/dbraw/zinc/21/74/01/1119217401.db2.gz IZPKKCPZSHKXTF-OAHLLOKOSA-N 2 1 283.419 3.807 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000657656166 1119226654 /nfs/dbraw/zinc/22/66/54/1119226654.db2.gz MMBREKUWDPPQQL-CMKODMSKSA-N 2 1 298.474 3.677 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000628218326 1128830560 /nfs/dbraw/zinc/83/05/60/1128830560.db2.gz BJXZJPAPJJEUQF-MRXNPFEDSA-N 2 1 285.435 3.673 20 0 CHADMP c1oc2ccccc2c1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000121657631 1119266625 /nfs/dbraw/zinc/26/66/25/1119266625.db2.gz VCRBESUQBCNZPK-UHFFFAOYSA-N 2 1 298.430 3.929 20 0 CHADMP Cc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)o1 ZINC000246572406 1128833797 /nfs/dbraw/zinc/83/37/97/1128833797.db2.gz SSFQSZYSJJNDMM-MAUKXSAKSA-N 2 1 298.430 3.731 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000122798676 1119286981 /nfs/dbraw/zinc/28/69/81/1119286981.db2.gz AQIYXQJUDWIMFY-ROUUACIJSA-N 2 1 286.463 3.643 20 0 CHADMP FC(F)(F)CCCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000154062400 1119300269 /nfs/dbraw/zinc/30/02/69/1119300269.db2.gz KUIYPAUNAXMSPA-AWEZNQCLSA-N 2 1 292.389 3.669 20 0 CHADMP FC(F)(F)CCCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000154062400 1119300271 /nfs/dbraw/zinc/30/02/71/1119300271.db2.gz KUIYPAUNAXMSPA-AWEZNQCLSA-N 2 1 292.389 3.669 20 0 CHADMP Cc1ccc([C@@H](C)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000628272974 1128840624 /nfs/dbraw/zinc/84/06/24/1128840624.db2.gz FBGYULSLSITQPV-UBLGTCEWSA-N 2 1 286.463 3.656 20 0 CHADMP Cc1ccc([C@@H](C)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000628272974 1128840630 /nfs/dbraw/zinc/84/06/30/1128840630.db2.gz FBGYULSLSITQPV-UBLGTCEWSA-N 2 1 286.463 3.656 20 0 CHADMP Cc1ccc([C@@H](C)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000628272974 1128840634 /nfs/dbraw/zinc/84/06/34/1128840634.db2.gz FBGYULSLSITQPV-UBLGTCEWSA-N 2 1 286.463 3.656 20 0 CHADMP Cc1c(Cl)cccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001204607945 1119365976 /nfs/dbraw/zinc/36/59/76/1119365976.db2.gz ATSKEXNHFFSSQE-WFASDCNBSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1c(Cl)cccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001204607945 1119365980 /nfs/dbraw/zinc/36/59/80/1119365980.db2.gz ATSKEXNHFFSSQE-WFASDCNBSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1c(Cl)cccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001204607945 1119365985 /nfs/dbraw/zinc/36/59/85/1119365985.db2.gz ATSKEXNHFFSSQE-WFASDCNBSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1c(Cl)cccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001204607945 1119365986 /nfs/dbraw/zinc/36/59/86/1119365986.db2.gz ATSKEXNHFFSSQE-WFASDCNBSA-N 2 1 280.843 3.563 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC23CC3)CC[N@@H+]1Cc1ccccc1 ZINC000583576111 1119378844 /nfs/dbraw/zinc/37/88/44/1119378844.db2.gz DVOOAVSQESDEJH-BHIYHBOVSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC23CC3)CC[N@H+]1Cc1ccccc1 ZINC000583576111 1119378848 /nfs/dbraw/zinc/37/88/48/1119378848.db2.gz DVOOAVSQESDEJH-BHIYHBOVSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1CC2(CCC2)C1 ZINC000448077001 1119378991 /nfs/dbraw/zinc/37/89/91/1119378991.db2.gz LBMMTLFIPRPUTM-OAHLLOKOSA-N 2 1 264.457 3.563 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C(C)(C)c2ccccc2)C1 ZINC000151098692 1119394002 /nfs/dbraw/zinc/39/40/02/1119394002.db2.gz JXHYHKFVKKVEIZ-IRXDYDNUSA-N 2 1 288.479 3.674 20 0 CHADMP CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc(F)cc2Cl)C1 ZINC000151106857 1119395959 /nfs/dbraw/zinc/39/59/59/1119395959.db2.gz OCXCNERJHGQTMM-STQMWFEESA-N 2 1 298.833 3.862 20 0 CHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2Cl)C1 ZINC000151106857 1119395963 /nfs/dbraw/zinc/39/59/63/1119395963.db2.gz OCXCNERJHGQTMM-STQMWFEESA-N 2 1 298.833 3.862 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2Cl)C1 ZINC000151106857 1119395966 /nfs/dbraw/zinc/39/59/66/1119395966.db2.gz OCXCNERJHGQTMM-STQMWFEESA-N 2 1 298.833 3.862 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc3c(s2)CCC3)C1 ZINC000151118842 1119400092 /nfs/dbraw/zinc/40/00/92/1119400092.db2.gz VDORHSGIXQWWJH-KBPBESRZSA-N 2 1 292.492 3.619 20 0 CHADMP Cc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cs1 ZINC000381326296 1119448528 /nfs/dbraw/zinc/44/85/28/1119448528.db2.gz AEJSXGWZQSUQKF-HIFRSBDPSA-N 2 1 280.481 3.972 20 0 CHADMP Cc1cc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cs1 ZINC000381326296 1119448530 /nfs/dbraw/zinc/44/85/30/1119448530.db2.gz AEJSXGWZQSUQKF-HIFRSBDPSA-N 2 1 280.481 3.972 20 0 CHADMP CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000926544094 1119451158 /nfs/dbraw/zinc/45/11/58/1119451158.db2.gz ZZLUQSSFXSSVNJ-RNIUXLFRSA-N 2 1 276.468 3.726 20 0 CHADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(C(F)F)nc1 ZINC000657824993 1119471823 /nfs/dbraw/zinc/47/18/23/1119471823.db2.gz TUEVBKZAPRCEHC-ZDUSSCGKSA-N 2 1 297.393 3.546 20 0 CHADMP CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623385016 1119485015 /nfs/dbraw/zinc/48/50/15/1119485015.db2.gz YGCSGIDPMOHJLD-HUUCEWRRSA-N 2 1 290.451 3.609 20 0 CHADMP CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623385016 1119485016 /nfs/dbraw/zinc/48/50/16/1119485016.db2.gz YGCSGIDPMOHJLD-HUUCEWRRSA-N 2 1 290.451 3.609 20 0 CHADMP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1)C(C)(C)C(F)F ZINC000657846221 1119507347 /nfs/dbraw/zinc/50/73/47/1119507347.db2.gz SRGUPNNXUILYAD-QWHCGFSZSA-N 2 1 290.442 3.766 20 0 CHADMP C[C@@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1)C(C)(C)C(F)F ZINC000657846221 1119507348 /nfs/dbraw/zinc/50/73/48/1119507348.db2.gz SRGUPNNXUILYAD-QWHCGFSZSA-N 2 1 290.442 3.766 20 0 CHADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081632317 1119519931 /nfs/dbraw/zinc/51/99/31/1119519931.db2.gz LXFYLSXUFZWCFY-IEBWSBKVSA-N 2 1 286.463 3.801 20 0 CHADMP C[C@@H](c1ccccc1F)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081635550 1119519989 /nfs/dbraw/zinc/51/99/89/1119519989.db2.gz WXHUOMPBGMEURI-GOEBONIOSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@@H](c1ccccc1F)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081635550 1119519990 /nfs/dbraw/zinc/51/99/90/1119519990.db2.gz WXHUOMPBGMEURI-GOEBONIOSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@@H](c1ccccc1F)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081635550 1119519991 /nfs/dbraw/zinc/51/99/91/1119519991.db2.gz WXHUOMPBGMEURI-GOEBONIOSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@@H](c1ccccc1F)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081635550 1119519992 /nfs/dbraw/zinc/51/99/92/1119519992.db2.gz WXHUOMPBGMEURI-GOEBONIOSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@@H](c1ccccc1F)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081635550 1119519993 /nfs/dbraw/zinc/51/99/93/1119519993.db2.gz WXHUOMPBGMEURI-GOEBONIOSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)C1CCCCC1 ZINC000090955671 1119547103 /nfs/dbraw/zinc/54/71/03/1119547103.db2.gz LDDDQSMIFCJOGJ-HOCLYGCPSA-N 2 1 266.473 3.523 20 0 CHADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1cc(C)ccc1OC ZINC000093370019 1119573753 /nfs/dbraw/zinc/57/37/53/1119573753.db2.gz OIAWCLLYIAYVKZ-QGZVFWFLSA-N 2 1 290.451 3.529 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000657872308 1119583673 /nfs/dbraw/zinc/58/36/73/1119583673.db2.gz MUEXPLDWPBIPHE-VVLHAWIVSA-N 2 1 278.484 3.521 20 0 CHADMP CC[N@@H+](CC=C(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000685456756 1119610006 /nfs/dbraw/zinc/61/00/06/1119610006.db2.gz ZRPWPPZRPIZEPB-UHFFFAOYSA-N 2 1 260.425 3.536 20 0 CHADMP C[C@@H](CC[NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000628425639 1128859207 /nfs/dbraw/zinc/85/92/07/1128859207.db2.gz QUNOLUZZODMMGD-DLBZAZTESA-N 2 1 274.452 3.502 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(C(F)F)nc1 ZINC000658030735 1119666901 /nfs/dbraw/zinc/66/69/01/1119666901.db2.gz FZJVYRIADOOKTA-GFCCVEGCSA-N 2 1 297.393 3.544 20 0 CHADMP CC(C)C[C@@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccncc1 ZINC000658095623 1119681681 /nfs/dbraw/zinc/68/16/81/1119681681.db2.gz JTNHNACSDORGSS-IAGOWNOFSA-N 2 1 289.467 3.631 20 0 CHADMP CC(C)C[C@@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccncc1 ZINC000658095623 1119681683 /nfs/dbraw/zinc/68/16/83/1119681683.db2.gz JTNHNACSDORGSS-IAGOWNOFSA-N 2 1 289.467 3.631 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccs2)C[C@H]1c1ccccc1 ZINC000340182706 1119745705 /nfs/dbraw/zinc/74/57/05/1119745705.db2.gz NLDMSCYNHLJWFK-RDJZCZTQSA-N 2 1 286.444 3.673 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccs2)C[C@H]1c1ccccc1 ZINC000340182706 1119745709 /nfs/dbraw/zinc/74/57/09/1119745709.db2.gz NLDMSCYNHLJWFK-RDJZCZTQSA-N 2 1 286.444 3.673 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccccc2Cl)C[C@@H]1C ZINC000531140602 1119802903 /nfs/dbraw/zinc/80/29/03/1119802903.db2.gz DKIUCFMUTWDKLI-GOEBONIOSA-N 2 1 294.870 3.687 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccccc2Cl)C[C@@H]1C ZINC000531140602 1119802904 /nfs/dbraw/zinc/80/29/04/1119802904.db2.gz DKIUCFMUTWDKLI-GOEBONIOSA-N 2 1 294.870 3.687 20 0 CHADMP CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000317039700 1119827663 /nfs/dbraw/zinc/82/76/63/1119827663.db2.gz FUWBUOIAVSTPNU-AGRHKRQWSA-N 2 1 296.414 3.881 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000414181134 1119928572 /nfs/dbraw/zinc/92/85/72/1119928572.db2.gz LVKMMOGDDKMWET-RKVPGOIHSA-N 2 1 272.436 3.556 20 0 CHADMP C[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)[C@H]1c1ccccc1 ZINC000472590617 1119989843 /nfs/dbraw/zinc/98/98/43/1119989843.db2.gz GTRYHWVICPDSGD-KBAYOESNSA-N 2 1 272.436 3.554 20 0 CHADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)[C@H]1c1ccccc1 ZINC000472590617 1119989847 /nfs/dbraw/zinc/98/98/47/1119989847.db2.gz GTRYHWVICPDSGD-KBAYOESNSA-N 2 1 272.436 3.554 20 0 CHADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)[C@H]1c1ccccc1 ZINC000472590617 1119989852 /nfs/dbraw/zinc/98/98/52/1119989852.db2.gz GTRYHWVICPDSGD-KBAYOESNSA-N 2 1 272.436 3.554 20 0 CHADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)[C@H]1c1ccccc1 ZINC000472590617 1119989854 /nfs/dbraw/zinc/98/98/54/1119989854.db2.gz GTRYHWVICPDSGD-KBAYOESNSA-N 2 1 272.436 3.554 20 0 CHADMP C[C@H](CC[NH2+][C@H](C)c1ccncc1)[N@H+](C)Cc1ccccc1 ZINC000177465793 1120038563 /nfs/dbraw/zinc/03/85/63/1120038563.db2.gz PKAYGRBADRXUCC-IAGOWNOFSA-N 2 1 297.446 3.643 20 0 CHADMP C[C@H](CC[NH2+][C@H](C)c1ccncc1)[N@@H+](C)Cc1ccccc1 ZINC000177465793 1120038566 /nfs/dbraw/zinc/03/85/66/1120038566.db2.gz PKAYGRBADRXUCC-IAGOWNOFSA-N 2 1 297.446 3.643 20 0 CHADMP CC(C)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000106869041 1120056107 /nfs/dbraw/zinc/05/61/07/1120056107.db2.gz RYFGHEVBWTYEHS-QZTJIDSGSA-N 2 1 272.436 3.526 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000623657060 1120065260 /nfs/dbraw/zinc/06/52/60/1120065260.db2.gz IZWVFUJEYCZIKE-KGLIPLIRSA-N 2 1 280.843 3.723 20 0 CHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000623657252 1120065640 /nfs/dbraw/zinc/06/56/40/1120065640.db2.gz MDZVGOSYJRDORU-NZSAHSFTSA-N 2 1 286.463 3.644 20 0 CHADMP CC(C)CCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120780 1120066013 /nfs/dbraw/zinc/06/60/13/1120066013.db2.gz GWJCFKLOZJORDE-HOTGVXAUSA-N 2 1 254.462 3.523 20 0 CHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000624120890 1120067188 /nfs/dbraw/zinc/06/71/88/1120067188.db2.gz JJOSSXXSVVUCJJ-DYVFJYSZSA-N 2 1 292.854 3.649 20 0 CHADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000624120891 1120067623 /nfs/dbraw/zinc/06/76/23/1120067623.db2.gz JJOSSXXSVVUCJJ-GUYCJALGSA-N 2 1 292.854 3.649 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC001116473027 1120127298 /nfs/dbraw/zinc/12/72/98/1120127298.db2.gz JHCBZZJDPMBLRJ-KSSFIOAISA-N 2 1 290.426 3.598 20 0 CHADMP CC[C@@H]1CCC[NH+](C/C=C\C[N@@H+]2CCC[C@@H](CC)C2)C1 ZINC000613628968 1120133057 /nfs/dbraw/zinc/13/30/57/1120133057.db2.gz IKMANBMAKNIUQK-OSFIAYCASA-N 2 1 278.484 3.787 20 0 CHADMP CCCCC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000460345119 1120144407 /nfs/dbraw/zinc/14/44/07/1120144407.db2.gz FMFOILBABPWTQS-DZFIZOCASA-N 2 1 288.479 3.923 20 0 CHADMP CC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCCC1 ZINC000394612700 1120151864 /nfs/dbraw/zinc/15/18/64/1120151864.db2.gz SVNYJNUUHIOLFP-HZPDHXFCSA-N 2 1 264.457 3.563 20 0 CHADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCC[C@H](CC(C)C)C1 ZINC000300666773 1120207447 /nfs/dbraw/zinc/20/74/47/1120207447.db2.gz HUZPCBSKOHHYFZ-BBWFWOEESA-N 2 1 268.489 3.911 20 0 CHADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@H](CC(C)C)C1 ZINC000300666773 1120207450 /nfs/dbraw/zinc/20/74/50/1120207450.db2.gz HUZPCBSKOHHYFZ-BBWFWOEESA-N 2 1 268.489 3.911 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCC23CC3)c1 ZINC000565242743 1120207810 /nfs/dbraw/zinc/20/78/10/1120207810.db2.gz HKSXIOXNLMFPQB-GOSISDBHSA-N 2 1 286.463 3.949 20 0 CHADMP C1=CCC(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000659877867 1120243784 /nfs/dbraw/zinc/24/37/84/1120243784.db2.gz LJVZIPLJCRJDGY-GOSISDBHSA-N 2 1 276.468 3.541 20 0 CHADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000672603019 1120332267 /nfs/dbraw/zinc/33/22/67/1120332267.db2.gz JOGWLJYWTVXXNN-OTWHNJEPSA-N 2 1 286.463 3.677 20 0 CHADMP CC[N@@H+](CCC1CC[NH+](CC2(C)CC2)CC1)CC1CC1 ZINC000582098584 1120391708 /nfs/dbraw/zinc/39/17/08/1120391708.db2.gz VNNZCWDKSZUXBY-UHFFFAOYSA-N 2 1 278.484 3.621 20 0 CHADMP C[C@H]1C[C@H](NC2(CF)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000584590052 1120395817 /nfs/dbraw/zinc/39/58/17/1120395817.db2.gz IRCXDEFIKFPQQC-DOTOQJQBSA-N 2 1 290.426 3.521 20 0 CHADMP CCc1nc(C(C)C)ccc1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000629514632 1128913843 /nfs/dbraw/zinc/91/38/43/1128913843.db2.gz SEJQLOQUIJDVKF-INIZCTEOSA-N 2 1 291.483 3.573 20 0 CHADMP CCc1nc(C(C)C)ccc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000629514632 1128913846 /nfs/dbraw/zinc/91/38/46/1128913846.db2.gz SEJQLOQUIJDVKF-INIZCTEOSA-N 2 1 291.483 3.573 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000629542955 1128914574 /nfs/dbraw/zinc/91/45/74/1128914574.db2.gz PZMYMPCVKJSADA-NAWOPXAZSA-N 2 1 298.883 3.624 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccc2ccccc21 ZINC000629545920 1128914945 /nfs/dbraw/zinc/91/49/45/1128914945.db2.gz SNHGOSAWZCQCDM-DOPJRALCSA-N 2 1 268.404 3.631 20 0 CHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC(C)(C)CC)[C@H](C)C1 ZINC000682536434 1120417906 /nfs/dbraw/zinc/41/79/06/1120417906.db2.gz SSZKUJYGUNLSBV-SJORKVTESA-N 2 1 298.515 3.539 20 0 CHADMP Cc1ccc(C2=CC[N@H+](CCC[NH+]3CCCCC3)CC2)cc1 ZINC000781885754 1120420212 /nfs/dbraw/zinc/42/02/12/1120420212.db2.gz TXZKMMNXGXLZCQ-UHFFFAOYSA-N 2 1 298.474 3.960 20 0 CHADMP Cc1ccc(C2=CC[N@@H+](CCC[NH+]3CCCCC3)CC2)cc1 ZINC000781885754 1120420215 /nfs/dbraw/zinc/42/02/15/1120420215.db2.gz TXZKMMNXGXLZCQ-UHFFFAOYSA-N 2 1 298.474 3.960 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H]2CC24CC4)C3)cc1 ZINC000417344649 1120433017 /nfs/dbraw/zinc/43/30/17/1120433017.db2.gz WLEMSUVHAPCKOA-MKXGPGLRSA-N 2 1 296.458 3.572 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(C2CC2)cc1 ZINC000417358541 1120435770 /nfs/dbraw/zinc/43/57/70/1120435770.db2.gz UFTQYWKQQWSTQC-CQSZACIVSA-N 2 1 284.447 3.841 20 0 CHADMP Cc1cc(C)c(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1C ZINC000584866061 1120471950 /nfs/dbraw/zinc/47/19/50/1120471950.db2.gz NEMCKMKHGORESP-PKOBYXMFSA-N 2 1 286.463 3.528 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1C ZINC000584866061 1120471953 /nfs/dbraw/zinc/47/19/53/1120471953.db2.gz NEMCKMKHGORESP-PKOBYXMFSA-N 2 1 286.463 3.528 20 0 CHADMP Cc1cc(C)c(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1C ZINC000584866061 1120471955 /nfs/dbraw/zinc/47/19/55/1120471955.db2.gz NEMCKMKHGORESP-PKOBYXMFSA-N 2 1 286.463 3.528 20 0 CHADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000019959346 1120499754 /nfs/dbraw/zinc/49/97/54/1120499754.db2.gz SMTLFAPBSXZUIJ-JTQLQIEISA-N 2 1 275.223 3.596 20 0 CHADMP CC[N@@H+]1CCC[C@H]1CN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000020078484 1120518372 /nfs/dbraw/zinc/51/83/72/1120518372.db2.gz KRYSNHTUIFGMJD-AAEUAGOBSA-N 2 1 284.806 3.614 20 0 CHADMP CC[N@H+]1CCC[C@H]1CN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000020078484 1120518376 /nfs/dbraw/zinc/51/83/76/1120518376.db2.gz KRYSNHTUIFGMJD-AAEUAGOBSA-N 2 1 284.806 3.614 20 0 CHADMP Cc1cc2cc[nH]c2c(NCCC[N@@H+]2CCCC[C@@H]2C)[nH+]1 ZINC001167751344 1120540344 /nfs/dbraw/zinc/54/03/44/1120540344.db2.gz JWDHUFWTSRKGFQ-AWEZNQCLSA-N 2 1 286.423 3.548 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000499910636 1120550567 /nfs/dbraw/zinc/55/05/67/1120550567.db2.gz WQBGSPXGATWHLG-AWEZNQCLSA-N 2 1 280.843 3.819 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000499910636 1120550570 /nfs/dbraw/zinc/55/05/70/1120550570.db2.gz WQBGSPXGATWHLG-AWEZNQCLSA-N 2 1 280.843 3.819 20 0 CHADMP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000360860759 1120557194 /nfs/dbraw/zinc/55/71/94/1120557194.db2.gz YZROESHOPPFLPE-FZMZJTMJSA-N 2 1 298.883 3.807 20 0 CHADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000922671250 1120576298 /nfs/dbraw/zinc/57/62/98/1120576298.db2.gz ZORILTAOXVIZMP-ZFWWWQNUSA-N 2 1 278.415 3.658 20 0 CHADMP C[N@H+]1CCC[C@H](CNCc2oc3ccccc3c2Cl)C1 ZINC000631068315 1120596700 /nfs/dbraw/zinc/59/67/00/1120596700.db2.gz IHJSYQPLBPPWHZ-GFCCVEGCSA-N 2 1 292.810 3.518 20 0 CHADMP Cc1cc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)oc1C ZINC000282383612 1120604542 /nfs/dbraw/zinc/60/45/42/1120604542.db2.gz XCCJYEMSNDNBDS-ZDUSSCGKSA-N 2 1 275.396 3.532 20 0 CHADMP C[C@H]1CCC[N@H+]1Cc1ccc(-c2cccc3c2C[NH2+]C3)cc1 ZINC000629702396 1128927906 /nfs/dbraw/zinc/92/79/06/1128927906.db2.gz MOTXDXGQSBWEAY-HNNXBMFYSA-N 2 1 292.426 3.941 20 0 CHADMP CCC[C@H](C)CCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000625213098 1120645218 /nfs/dbraw/zinc/64/52/18/1120645218.db2.gz KPCLCMTWELOAHM-ARFHVFGLSA-N 2 1 254.462 3.617 20 0 CHADMP CCC[C@H](C)CCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000625213098 1120645220 /nfs/dbraw/zinc/64/52/20/1120645220.db2.gz KPCLCMTWELOAHM-ARFHVFGLSA-N 2 1 254.462 3.617 20 0 CHADMP CCC[C@H](C)CCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000625213098 1120645213 /nfs/dbraw/zinc/64/52/13/1120645213.db2.gz KPCLCMTWELOAHM-ARFHVFGLSA-N 2 1 254.462 3.617 20 0 CHADMP CCC[C@H](C)CCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000625213098 1120645215 /nfs/dbraw/zinc/64/52/15/1120645215.db2.gz KPCLCMTWELOAHM-ARFHVFGLSA-N 2 1 254.462 3.617 20 0 CHADMP CC[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000390836086 1120650407 /nfs/dbraw/zinc/65/04/07/1120650407.db2.gz VEWZRIKVCSMPTK-OZSLIKBDSA-N 2 1 264.457 3.560 20 0 CHADMP Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000300417373 1120653197 /nfs/dbraw/zinc/65/31/97/1120653197.db2.gz SFQDQDBXCPIYFP-NVXWUHKLSA-N 2 1 292.854 3.612 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000300417373 1120653199 /nfs/dbraw/zinc/65/31/99/1120653199.db2.gz SFQDQDBXCPIYFP-NVXWUHKLSA-N 2 1 292.854 3.612 20 0 CHADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1csc2ccccc21 ZINC000925713787 1120664556 /nfs/dbraw/zinc/66/45/56/1120664556.db2.gz ZDFOKVBYVBWFPF-CYBMUJFWSA-N 2 1 286.444 3.814 20 0 CHADMP C[NH+]1CCC2(CCC[N@@H+](CC/C=C/c3ccccc3)C2)CC1 ZINC000829444154 1120672241 /nfs/dbraw/zinc/67/22/41/1120672241.db2.gz XOEFJCTWNXEDCA-BJMVGYQFSA-N 2 1 298.474 3.898 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660658604 1120674314 /nfs/dbraw/zinc/67/43/14/1120674314.db2.gz HUGWAQJHTTVYIF-ZWKOTPCHSA-N 2 1 290.426 3.695 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660658604 1120674316 /nfs/dbraw/zinc/67/43/16/1120674316.db2.gz HUGWAQJHTTVYIF-ZWKOTPCHSA-N 2 1 290.426 3.695 20 0 CHADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660658604 1120674317 /nfs/dbraw/zinc/67/43/17/1120674317.db2.gz HUGWAQJHTTVYIF-ZWKOTPCHSA-N 2 1 290.426 3.695 20 0 CHADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC/C=C\c1ccccc1)C2 ZINC000660664086 1120675565 /nfs/dbraw/zinc/67/55/65/1120675565.db2.gz PUBIFENOGSXJAJ-AJWDXOCTSA-N 2 1 284.447 3.508 20 0 CHADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC/C=C\c1ccccc1)C2 ZINC000660664086 1120675567 /nfs/dbraw/zinc/67/55/67/1120675567.db2.gz PUBIFENOGSXJAJ-AJWDXOCTSA-N 2 1 284.447 3.508 20 0 CHADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC/C=C\c1ccccc1)C2 ZINC000660664086 1120675570 /nfs/dbraw/zinc/67/55/70/1120675570.db2.gz PUBIFENOGSXJAJ-AJWDXOCTSA-N 2 1 284.447 3.508 20 0 CHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc2ncccc12 ZINC000661137561 1120726844 /nfs/dbraw/zinc/72/68/44/1120726844.db2.gz QLATYPXHWIAVRH-QGZVFWFLSA-N 2 1 297.446 3.541 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccc2ncccc12 ZINC000661137561 1120726849 /nfs/dbraw/zinc/72/68/49/1120726849.db2.gz QLATYPXHWIAVRH-QGZVFWFLSA-N 2 1 297.446 3.541 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccc2ncccc12 ZINC000661137561 1120726851 /nfs/dbraw/zinc/72/68/51/1120726851.db2.gz QLATYPXHWIAVRH-QGZVFWFLSA-N 2 1 297.446 3.541 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C1CCCC1 ZINC000066874807 1120745643 /nfs/dbraw/zinc/74/56/43/1120745643.db2.gz RPCMGPSUUMLUKU-UHFFFAOYSA-N 2 1 260.425 3.559 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ccccc1F)C(C)C ZINC000661485357 1120770075 /nfs/dbraw/zinc/77/00/75/1120770075.db2.gz PCADWMXQBPCGGU-KRWDZBQOSA-N 2 1 289.398 3.708 20 0 CHADMP CCCSC[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000893487726 1120795486 /nfs/dbraw/zinc/79/54/86/1120795486.db2.gz LWGZRHBCSWEDQD-XHSDSOJGSA-N 2 1 298.540 3.761 20 0 CHADMP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000251929793 1120884146 /nfs/dbraw/zinc/88/41/46/1120884146.db2.gz RCRYLDLUSLMNLT-ARFHVFGLSA-N 2 1 254.462 3.521 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251768731 1120884187 /nfs/dbraw/zinc/88/41/87/1120884187.db2.gz MGGDWPAKJIXVGU-HBUWYVDXSA-N 2 1 268.404 3.570 20 0 CHADMP c1ccc([C@@H]2CCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000662248786 1120910902 /nfs/dbraw/zinc/91/09/02/1120910902.db2.gz JQTKERHFLLCMEP-FQEVSTJZSA-N 2 1 292.426 3.669 20 0 CHADMP c1csc([C@H]2CCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)c1 ZINC000662248408 1120911914 /nfs/dbraw/zinc/91/19/14/1120911914.db2.gz ATBXCEGTOXDLNJ-QGZVFWFLSA-N 2 1 298.455 3.731 20 0 CHADMP c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000662276442 1120917399 /nfs/dbraw/zinc/91/73/99/1120917399.db2.gz MPJJZPFDWLKHNW-QWFCFKBJSA-N 2 1 298.474 3.571 20 0 CHADMP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)C2)cc1 ZINC000662278003 1120918154 /nfs/dbraw/zinc/91/81/54/1120918154.db2.gz ULALMIHALLNQLS-RLLQIKCJSA-N 2 1 298.474 3.646 20 0 CHADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662311766 1120924246 /nfs/dbraw/zinc/92/42/46/1120924246.db2.gz DUUIYIZAWOZCKL-MGPQQGTHSA-N 2 1 276.415 3.507 20 0 CHADMP c1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc(C2CC2)c1 ZINC000663343744 1120940280 /nfs/dbraw/zinc/94/02/80/1120940280.db2.gz DCLQSAVRSPVOKC-GOSISDBHSA-N 2 1 298.474 3.776 20 0 CHADMP CCC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663465532 1120980688 /nfs/dbraw/zinc/98/06/88/1120980688.db2.gz KJHNKASHMWVBFK-HOCLYGCPSA-N 2 1 266.473 3.523 20 0 CHADMP CC(C)CC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663470215 1120984713 /nfs/dbraw/zinc/98/47/13/1120984713.db2.gz SZGHQTXZRGXBKV-NVXWUHKLSA-N 2 1 266.473 3.523 20 0 CHADMP C([NH2+][C@H]1CCC[C@@H](C2CC2)C1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663472152 1120985340 /nfs/dbraw/zinc/98/53/40/1120985340.db2.gz ZBZWEOLRCHMUJR-QRQLOZEOSA-N 2 1 290.495 3.667 20 0 CHADMP CC(C)c1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925777856 1120986405 /nfs/dbraw/zinc/98/64/05/1120986405.db2.gz HOFQEBWWDJNZIO-XJKSGUPXSA-N 2 1 296.405 3.705 20 0 CHADMP Cc1ccc(N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000390807799 1120990029 /nfs/dbraw/zinc/99/00/29/1120990029.db2.gz NHQZRJYMVOXBFU-WMZOPIPTSA-N 2 1 295.430 3.713 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1ccccc1C ZINC001167823707 1120995261 /nfs/dbraw/zinc/99/52/61/1120995261.db2.gz DYAOUXGUCABJOS-KRWDZBQOSA-N 2 1 276.468 3.937 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1cccs1 ZINC001167825479 1120999966 /nfs/dbraw/zinc/99/99/66/1120999966.db2.gz JLBLFLUMYZGZIT-CQSZACIVSA-N 2 1 268.470 3.690 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001167825607 1121000318 /nfs/dbraw/zinc/00/03/18/1121000318.db2.gz KJHXOAITDDRCTE-KGLIPLIRSA-N 2 1 294.405 3.771 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1ccccc1F ZINC001167825874 1121000360 /nfs/dbraw/zinc/00/03/60/1121000360.db2.gz LFUKKQIVVXDMFL-OAHLLOKOSA-N 2 1 280.431 3.768 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H]1c1ccccc1 ZINC001167833631 1121018608 /nfs/dbraw/zinc/01/86/08/1121018608.db2.gz CZGFTLQEFMBSFP-AEFFLSMTSA-N 2 1 274.452 3.944 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCOC2(CCCCC2)C1 ZINC001167837225 1121040275 /nfs/dbraw/zinc/04/02/75/1121040275.db2.gz JSHBLDRHTMXMTH-KRWDZBQOSA-N 2 1 296.499 3.532 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC001167839467 1121041837 /nfs/dbraw/zinc/04/18/37/1121041837.db2.gz XUDBAPUUDRMBHV-AWEZNQCLSA-N 2 1 297.874 3.677 20 0 CHADMP CCCc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000350986553 1121056248 /nfs/dbraw/zinc/05/62/48/1121056248.db2.gz FAZUXLYTCPGWIA-UHFFFAOYSA-N 2 1 285.435 3.666 20 0 CHADMP CCCc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000350986553 1121056257 /nfs/dbraw/zinc/05/62/57/1121056257.db2.gz FAZUXLYTCPGWIA-UHFFFAOYSA-N 2 1 285.435 3.666 20 0 CHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H]3CC=CCC3)C2)CC1 ZINC000512178300 1121142361 /nfs/dbraw/zinc/14/23/61/1121142361.db2.gz IVFGOAWYDCSNPR-RBUKOAKNSA-N 2 1 290.495 3.787 20 0 CHADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000925825660 1121152414 /nfs/dbraw/zinc/15/24/14/1121152414.db2.gz BDCOHGBICKZFPF-UYHISHBKSA-N 2 1 284.378 3.930 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000163350480 1121178611 /nfs/dbraw/zinc/17/86/11/1121178611.db2.gz WPUXOCMGVPPAKV-GOSISDBHSA-N 2 1 298.434 3.512 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000163350480 1121178615 /nfs/dbraw/zinc/17/86/15/1121178615.db2.gz WPUXOCMGVPPAKV-GOSISDBHSA-N 2 1 298.434 3.512 20 0 CHADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000658233354 1121237984 /nfs/dbraw/zinc/23/79/84/1121237984.db2.gz KKAHQCKYJJOWOM-HAGHYFMRSA-N 2 1 298.474 3.960 20 0 CHADMP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000675779201 1121355121 /nfs/dbraw/zinc/35/51/21/1121355121.db2.gz RNFZWAMKDGQNJI-GJYPPUQNSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000675779201 1121355130 /nfs/dbraw/zinc/35/51/30/1121355130.db2.gz RNFZWAMKDGQNJI-GJYPPUQNSA-N 2 1 286.463 3.675 20 0 CHADMP Cc1ccc2[nH]c(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)cc2c1C ZINC000432792176 1121355150 /nfs/dbraw/zinc/35/51/50/1121355150.db2.gz JLWKEZAWSGYGDJ-QGZVFWFLSA-N 2 1 299.462 3.701 20 0 CHADMP Cc1ccc2[nH]c(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)cc2c1C ZINC000432792176 1121355160 /nfs/dbraw/zinc/35/51/60/1121355160.db2.gz JLWKEZAWSGYGDJ-QGZVFWFLSA-N 2 1 299.462 3.701 20 0 CHADMP Cc1ccsc1[C@@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000178700754 1121367281 /nfs/dbraw/zinc/36/72/81/1121367281.db2.gz NCPDXICOACNLPF-DGCLKSJQSA-N 2 1 277.437 3.548 20 0 CHADMP c1ccc([C@H]2C[C@@H]([NH2+]CC3CCC=CCC3)CC[NH2+]2)cc1 ZINC000925881805 1121370973 /nfs/dbraw/zinc/37/09/73/1121370973.db2.gz UZTIEAQPRZKXNA-RBUKOAKNSA-N 2 1 284.447 3.816 20 0 CHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC/C=C/c1ccccc1)C2 ZINC000660664088 1121373007 /nfs/dbraw/zinc/37/30/07/1121373007.db2.gz PUBIFENOGSXJAJ-CEQQRPIWSA-N 2 1 284.447 3.508 20 0 CHADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC/C=C/c1ccccc1)C2 ZINC000660664088 1121373017 /nfs/dbraw/zinc/37/30/17/1121373017.db2.gz PUBIFENOGSXJAJ-CEQQRPIWSA-N 2 1 284.447 3.508 20 0 CHADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC/C=C/c1ccccc1)C2 ZINC000660664088 1121373027 /nfs/dbraw/zinc/37/30/27/1121373027.db2.gz PUBIFENOGSXJAJ-CEQQRPIWSA-N 2 1 284.447 3.508 20 0 CHADMP CCC[NH+](CCC)c1ccc(NC2=CCC[N@H+](C)C2)cc1 ZINC001175578830 1121396135 /nfs/dbraw/zinc/39/61/35/1121396135.db2.gz KEUWAOLQMOVYDR-UHFFFAOYSA-N 2 1 287.451 3.944 20 0 CHADMP CCC[NH+](CCC)c1ccc(NC2=CCC[N@@H+](C)C2)cc1 ZINC001175578830 1121396143 /nfs/dbraw/zinc/39/61/43/1121396143.db2.gz KEUWAOLQMOVYDR-UHFFFAOYSA-N 2 1 287.451 3.944 20 0 CHADMP Clc1csc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000710264688 1121474991 /nfs/dbraw/zinc/47/49/91/1121474991.db2.gz PGCXGRDQYMRKBG-ZDUSSCGKSA-N 2 1 298.883 3.613 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000316865192 1121480407 /nfs/dbraw/zinc/48/04/07/1121480407.db2.gz UFUOMJLIAQIWIT-MAUKXSAKSA-N 2 1 298.430 3.705 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000512615258 1121494159 /nfs/dbraw/zinc/49/41/59/1121494159.db2.gz YWUKVMIOUHKGTD-YGWPLHOASA-N 2 1 298.474 3.675 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167916200 1121520125 /nfs/dbraw/zinc/52/01/25/1121520125.db2.gz GPGZWJIYWGFAKI-BSHDOZJQSA-N 2 1 284.447 3.557 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000766161916 1121531212 /nfs/dbraw/zinc/53/12/12/1121531212.db2.gz KFSORCPUTHGRSA-SFHVURJKSA-N 2 1 283.419 3.557 20 0 CHADMP Cc1ccc2cc[nH+]c(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000645127365 1121553957 /nfs/dbraw/zinc/55/39/57/1121553957.db2.gz LHFZVPMTNFUDEA-HOTGVXAUSA-N 2 1 281.403 3.582 20 0 CHADMP Cc1ccc2cc[nH+]c(N[C@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000645127365 1121553965 /nfs/dbraw/zinc/55/39/65/1121553965.db2.gz LHFZVPMTNFUDEA-HOTGVXAUSA-N 2 1 281.403 3.582 20 0 CHADMP CCC[N@H+](C)C[C@@H]1CCN(c2[nH+]ccc3ccc(C)cc32)C1 ZINC000645181601 1121607788 /nfs/dbraw/zinc/60/77/88/1121607788.db2.gz LZJUPZIFMXSCEI-INIZCTEOSA-N 2 1 297.446 3.711 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2[nH+]ccc3ccc(C)cc32)C1 ZINC000645181601 1121607795 /nfs/dbraw/zinc/60/77/95/1121607795.db2.gz LZJUPZIFMXSCEI-INIZCTEOSA-N 2 1 297.446 3.711 20 0 CHADMP Cc1occc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000321005675 1121610401 /nfs/dbraw/zinc/61/04/01/1121610401.db2.gz SUQPFGAABVUOLA-SFHVURJKSA-N 2 1 298.430 3.590 20 0 CHADMP Cc1occc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000321005675 1121610403 /nfs/dbraw/zinc/61/04/03/1121610403.db2.gz SUQPFGAABVUOLA-SFHVURJKSA-N 2 1 298.430 3.590 20 0 CHADMP C[NH+]1CCC([NH2+][C@@H]2CCSc3c(Cl)cccc32)CC1 ZINC000161515498 1121632068 /nfs/dbraw/zinc/63/20/68/1121632068.db2.gz NOSJMUSUTMVGFI-CQSZACIVSA-N 2 1 296.867 3.561 20 0 CHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCC4CC4)[C@@H]3C2)cc1 ZINC000512666422 1121672659 /nfs/dbraw/zinc/67/26/59/1121672659.db2.gz KKANHFVWWBYJRN-ZCNNSNEGSA-N 2 1 298.474 3.677 20 0 CHADMP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC[C@H](OC)CC1)CC(C)C ZINC001177209260 1121716634 /nfs/dbraw/zinc/71/66/34/1121716634.db2.gz KQPHMGMLVRTLBL-SQNIBIBYSA-N 2 1 298.515 3.680 20 0 CHADMP Cc1cc(C)c(/C=C\C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC001177226677 1121719119 /nfs/dbraw/zinc/71/91/19/1121719119.db2.gz VKEUIPLXUFVTPL-PYTPGESOSA-N 2 1 298.474 3.699 20 0 CHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccoc3)cc2)C1 ZINC000727465579 1121719910 /nfs/dbraw/zinc/71/99/10/1121719910.db2.gz CXBRAVMSPGUIFB-MRXNPFEDSA-N 2 1 298.430 3.801 20 0 CHADMP CCCc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000513138783 1121726495 /nfs/dbraw/zinc/72/64/95/1121726495.db2.gz KIMZDACGJHRIDA-DFNIBXOVSA-N 2 1 286.463 3.696 20 0 CHADMP CCCc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000513138783 1121726502 /nfs/dbraw/zinc/72/65/02/1121726502.db2.gz KIMZDACGJHRIDA-DFNIBXOVSA-N 2 1 286.463 3.696 20 0 CHADMP CCCc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000513138783 1121726504 /nfs/dbraw/zinc/72/65/04/1121726504.db2.gz KIMZDACGJHRIDA-DFNIBXOVSA-N 2 1 286.463 3.696 20 0 CHADMP CCCC[C@@H](CC)CC[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000536396493 1121746386 /nfs/dbraw/zinc/74/63/86/1121746386.db2.gz VWDDRTFKIWYKRP-CVEARBPZSA-N 2 1 266.473 3.667 20 0 CHADMP Cc1cc(C)c(/C=C\C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(C)c1 ZINC001177795143 1121751439 /nfs/dbraw/zinc/75/14/39/1121751439.db2.gz OJEMHLGXXCDQPU-MTIYJEKLSA-N 2 1 286.463 3.556 20 0 CHADMP CCCC[C@@H](CC)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727982 1121754521 /nfs/dbraw/zinc/75/45/21/1121754521.db2.gz ZIIRCRVZPFWURJ-MRXNPFEDSA-N 2 1 266.473 3.668 20 0 CHADMP CCC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCC)C1)c1cc(C)ccn1 ZINC000631573638 1129009081 /nfs/dbraw/zinc/00/90/81/1129009081.db2.gz ZYZDHXJWGCEKLM-DLBZAZTESA-N 2 1 289.467 3.553 20 0 CHADMP CCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCC)C1)c1cc(C)ccn1 ZINC000631573638 1129009083 /nfs/dbraw/zinc/00/90/83/1129009083.db2.gz ZYZDHXJWGCEKLM-DLBZAZTESA-N 2 1 289.467 3.553 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC001204247757 1121885682 /nfs/dbraw/zinc/88/56/82/1121885682.db2.gz BGGIDJURVQLPRJ-PKOBYXMFSA-N 2 1 288.479 3.508 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC001204247757 1121885691 /nfs/dbraw/zinc/88/56/91/1121885691.db2.gz BGGIDJURVQLPRJ-PKOBYXMFSA-N 2 1 288.479 3.508 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC001204247757 1121885698 /nfs/dbraw/zinc/88/56/98/1121885698.db2.gz BGGIDJURVQLPRJ-PKOBYXMFSA-N 2 1 288.479 3.508 20 0 CHADMP CCC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cc(C)ccn1 ZINC000631636307 1129016153 /nfs/dbraw/zinc/01/61/53/1129016153.db2.gz CFXBUKGPQYSKBP-IAGOWNOFSA-N 2 1 289.467 3.553 20 0 CHADMP C[NH+]1CCC([NH2+][C@@H](CC2CC2)c2ccc(Cl)cc2)CC1 ZINC000345672640 1121902013 /nfs/dbraw/zinc/90/20/13/1121902013.db2.gz FKYHFUNSGKZNFB-KRWDZBQOSA-N 2 1 292.854 3.865 20 0 CHADMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1cc2ccccc2o1 ZINC000647889316 1121954637 /nfs/dbraw/zinc/95/46/37/1121954637.db2.gz FIZZGXLNXLOXSQ-UHFFFAOYSA-N 2 1 286.419 3.644 20 0 CHADMP C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420296307 1121995484 /nfs/dbraw/zinc/99/54/84/1121995484.db2.gz BJMHTFZCEWXWEC-CABCVRRESA-N 2 1 286.419 3.815 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[N@@H+](C[C@H](C)[NH3+])C1CC1 ZINC000420322914 1121996015 /nfs/dbraw/zinc/99/60/15/1121996015.db2.gz SSPKKZMHEXPACE-UONOGXRCSA-N 2 1 268.404 3.712 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[N@H+](C[C@H](C)[NH3+])C1CC1 ZINC000420322914 1121996026 /nfs/dbraw/zinc/99/60/26/1121996026.db2.gz SSPKKZMHEXPACE-UONOGXRCSA-N 2 1 268.404 3.712 20 0 CHADMP Cc1ccc(C)c([C@H](C)[N@@H+](C)CC[C@H]2CCC[NH2+]C2)c1 ZINC000420301580 1121998117 /nfs/dbraw/zinc/99/81/17/1121998117.db2.gz LMPWYONJZKJSAA-DLBZAZTESA-N 2 1 274.452 3.686 20 0 CHADMP Clc1ccc([C@@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000420298108 1121998343 /nfs/dbraw/zinc/99/83/43/1121998343.db2.gz GSZMGYKHMFDWPV-GOEBONIOSA-N 2 1 292.854 3.519 20 0 CHADMP c1c2ccccc2[nH]c1[C@@H]1CCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420314691 1121999123 /nfs/dbraw/zinc/99/91/23/1121999123.db2.gz ZIRWZCSBVYMODU-BEFAXECRSA-N 2 1 297.446 3.695 20 0 CHADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccccc1Oc1ccccc1 ZINC000420322326 1121999260 /nfs/dbraw/zinc/99/92/60/1121999260.db2.gz SLHQQLQONYABGN-JKSUJKDBSA-N 2 1 296.414 3.648 20 0 CHADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(Cl)s1 ZINC000420319992 1122000301 /nfs/dbraw/zinc/00/03/01/1122000301.db2.gz PVHANFQQGQTYAI-GFCCVEGCSA-N 2 1 286.872 3.613 20 0 CHADMP Clc1ccccc1C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC1CC1 ZINC000420378933 1122004120 /nfs/dbraw/zinc/00/41/20/1122004120.db2.gz UTTSMCLWPLNSPN-AWEZNQCLSA-N 2 1 292.854 3.552 20 0 CHADMP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420378769 1122005015 /nfs/dbraw/zinc/00/50/15/1122005015.db2.gz UOORDZPBVOLOSM-UONOGXRCSA-N 2 1 295.496 3.567 20 0 CHADMP C[NH+]1CCC([C@H]2CC[N@@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC001181515346 1122063470 /nfs/dbraw/zinc/06/34/70/1122063470.db2.gz SQYVOQGNWZZMEW-SFHVURJKSA-N 2 1 292.511 3.867 20 0 CHADMP CC[C@@H]1C[C@]1([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc(C)c1 ZINC000502479158 1122091050 /nfs/dbraw/zinc/09/10/50/1122091050.db2.gz DAPWMWPWFMNSPR-NZSAHSFTSA-N 2 1 286.463 3.694 20 0 CHADMP CCCC[N@@H+](CC1CC[NH+](C)CC1)C1CCCCC1 ZINC001182043852 1122106081 /nfs/dbraw/zinc/10/60/81/1122106081.db2.gz PRHGTQCNYVXROQ-UHFFFAOYSA-N 2 1 266.473 3.763 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CC1CCCC1 ZINC001182151823 1122114878 /nfs/dbraw/zinc/11/48/78/1122114878.db2.gz DJYQJBKRQFEJKN-GJZGRUSLSA-N 2 1 254.462 3.665 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CC1CCCC1 ZINC001182151823 1122114882 /nfs/dbraw/zinc/11/48/82/1122114882.db2.gz DJYQJBKRQFEJKN-GJZGRUSLSA-N 2 1 254.462 3.665 20 0 CHADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H](C)c1ccc(F)cc1 ZINC000502689737 1122133705 /nfs/dbraw/zinc/13/37/05/1122133705.db2.gz NEZRCGGUMGNPGA-WMLDXEAASA-N 2 1 278.415 3.693 20 0 CHADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H](C)c1ccc(F)cc1 ZINC000502689737 1122133707 /nfs/dbraw/zinc/13/37/07/1122133707.db2.gz NEZRCGGUMGNPGA-WMLDXEAASA-N 2 1 278.415 3.693 20 0 CHADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H](C)c1ccc(F)cc1 ZINC000502689737 1122133709 /nfs/dbraw/zinc/13/37/09/1122133709.db2.gz NEZRCGGUMGNPGA-WMLDXEAASA-N 2 1 278.415 3.693 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1C1CCCCC1 ZINC000502717921 1122142269 /nfs/dbraw/zinc/14/22/69/1122142269.db2.gz HOAQLXOLIINWJA-IAGOWNOFSA-N 2 1 264.457 3.515 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000502717921 1122142271 /nfs/dbraw/zinc/14/22/71/1122142271.db2.gz HOAQLXOLIINWJA-IAGOWNOFSA-N 2 1 264.457 3.515 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000502717921 1122142276 /nfs/dbraw/zinc/14/22/76/1122142276.db2.gz HOAQLXOLIINWJA-IAGOWNOFSA-N 2 1 264.457 3.515 20 0 CHADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001182958580 1122197287 /nfs/dbraw/zinc/19/72/87/1122197287.db2.gz BUYAWWLCTUAVSO-VYDXJSESSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001182958580 1122197292 /nfs/dbraw/zinc/19/72/92/1122197292.db2.gz BUYAWWLCTUAVSO-VYDXJSESSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@]1([NH3+])CCC[N@@H+](CC2(c3ccccc3)CCCC2)CC1 ZINC001205255220 1122206052 /nfs/dbraw/zinc/20/60/52/1122206052.db2.gz HVUPXEGRXQWBRE-SFHVURJKSA-N 2 1 286.463 3.702 20 0 CHADMP C[C@H](CC1CCC1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001183379254 1122221982 /nfs/dbraw/zinc/22/19/82/1122221982.db2.gz LCYYOZQAPRMEIS-CRAIPNDOSA-N 2 1 278.484 3.952 20 0 CHADMP C[C@H](CC1CCC1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001183379254 1122221988 /nfs/dbraw/zinc/22/19/88/1122221988.db2.gz LCYYOZQAPRMEIS-CRAIPNDOSA-N 2 1 278.484 3.952 20 0 CHADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(F)c3ccccc23)CC1 ZINC001205273253 1122226312 /nfs/dbraw/zinc/22/63/12/1122226312.db2.gz IVLGMHOVPYYBDG-SFHVURJKSA-N 2 1 286.394 3.682 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001205281116 1122237216 /nfs/dbraw/zinc/23/72/16/1122237216.db2.gz PUPKZIMDIHEQRV-GOSISDBHSA-N 2 1 274.452 3.733 20 0 CHADMP C[C@H](CC[N@@H+](C)CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001184195785 1122263398 /nfs/dbraw/zinc/26/33/98/1122263398.db2.gz BICJFEAHTYBYKA-MRXNPFEDSA-N 2 1 276.468 3.700 20 0 CHADMP Cc1cccc(C2=CC[N@@H+](CC3CC[NH+](C)CC3)CC2)c1C ZINC001184253063 1122264865 /nfs/dbraw/zinc/26/48/65/1122264865.db2.gz STWIMYPLWXVNAP-UHFFFAOYSA-N 2 1 298.474 3.734 20 0 CHADMP CC[C@@H]1CCC[C@H](C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)C1 ZINC001184290337 1122269203 /nfs/dbraw/zinc/26/92/03/1122269203.db2.gz KBMGAPOEVADUEK-SPOLIRPYSA-N 2 1 292.511 3.865 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc(C)c1Cl ZINC001205297146 1122275541 /nfs/dbraw/zinc/27/55/41/1122275541.db2.gz ZXLLHNKMCMFBHA-INIZCTEOSA-N 2 1 280.843 3.660 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205303971 1122287785 /nfs/dbraw/zinc/28/77/85/1122287785.db2.gz MAJCNQYGHHPGPE-TZMCWYRMSA-N 2 1 288.460 3.626 20 0 CHADMP CC[N@@H+](Cc1cc2cc(F)ccc2o1)[C@@H]1CCC[NH2+]CC1 ZINC000435379359 1122461411 /nfs/dbraw/zinc/46/14/11/1122461411.db2.gz BOYKOSKKFQXVBI-OAHLLOKOSA-N 2 1 290.382 3.536 20 0 CHADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccccc2Oc2ccccc2)C1 ZINC000514938947 1122465589 /nfs/dbraw/zinc/46/55/89/1122465589.db2.gz SVNGKACQYWQJDB-MRXNPFEDSA-N 2 1 296.414 3.650 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[C@@H]1c1ccccc1)c1c[nH+]ccc1N ZINC000515232737 1122484396 /nfs/dbraw/zinc/48/43/96/1122484396.db2.gz KYVHXRYQASIACG-USXIJHARSA-N 2 1 295.430 3.729 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[C@H]1c1ccccc1)c1c[nH+]ccc1N ZINC000515232738 1122484434 /nfs/dbraw/zinc/48/44/34/1122484434.db2.gz KYVHXRYQASIACG-XIRDDKMYSA-N 2 1 295.430 3.729 20 0 CHADMP Cc1ccccc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001203709608 1122517339 /nfs/dbraw/zinc/51/73/39/1122517339.db2.gz KLUBMZMKRVGUEL-RBUKOAKNSA-N 2 1 286.463 3.834 20 0 CHADMP Cc1ccccc1C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001203709608 1122517346 /nfs/dbraw/zinc/51/73/46/1122517346.db2.gz KLUBMZMKRVGUEL-RBUKOAKNSA-N 2 1 286.463 3.834 20 0 CHADMP Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001203709608 1122517351 /nfs/dbraw/zinc/51/73/51/1122517351.db2.gz KLUBMZMKRVGUEL-RBUKOAKNSA-N 2 1 286.463 3.834 20 0 CHADMP CC1(C)CC([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000436296955 1122535645 /nfs/dbraw/zinc/53/56/45/1122535645.db2.gz WBLBMNPLVCRHFQ-MRXNPFEDSA-N 2 1 264.457 3.562 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)[C@H](C)CC)CC1 ZINC001190405892 1122536236 /nfs/dbraw/zinc/53/62/36/1122536236.db2.gz CQSNPHWMHWRDER-CVEARBPZSA-N 2 1 268.489 3.865 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C[C@@H]1c1ccccc1 ZINC000414172872 1129061982 /nfs/dbraw/zinc/06/19/82/1129061982.db2.gz FQUDDINMNYXRLG-ICBNADEASA-N 2 1 284.447 3.600 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C[C@@H]1c1ccccc1 ZINC000414172872 1129061985 /nfs/dbraw/zinc/06/19/85/1129061985.db2.gz FQUDDINMNYXRLG-ICBNADEASA-N 2 1 284.447 3.600 20 0 CHADMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@H]1CCCC[C@@H]1C ZINC001643932682 1129062618 /nfs/dbraw/zinc/06/26/18/1129062618.db2.gz SDROYTLLSGLLKH-LSDHHAIUSA-N 2 1 254.462 3.523 20 0 CHADMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@H]1CCCC[C@@H]1C ZINC001643932682 1129062621 /nfs/dbraw/zinc/06/26/21/1129062621.db2.gz SDROYTLLSGLLKH-LSDHHAIUSA-N 2 1 254.462 3.523 20 0 CHADMP [NH3+]C[C@@]1(F)CCC[N@@H+](CCCCCc2ccccc2)CC1 ZINC001205545505 1122560700 /nfs/dbraw/zinc/56/07/00/1122560700.db2.gz IGOANBMUFSVHED-GOSISDBHSA-N 2 1 292.442 3.552 20 0 CHADMP CC(C)=CCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001191048442 1122570935 /nfs/dbraw/zinc/57/09/35/1122570935.db2.gz OBCIDHVQFFGDGK-ROUUACIJSA-N 2 1 278.484 3.929 20 0 CHADMP CC(C)=CCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC001191048442 1122570936 /nfs/dbraw/zinc/57/09/36/1122570936.db2.gz OBCIDHVQFFGDGK-ROUUACIJSA-N 2 1 278.484 3.929 20 0 CHADMP CC(C)=CCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC001191048442 1122570939 /nfs/dbraw/zinc/57/09/39/1122570939.db2.gz OBCIDHVQFFGDGK-ROUUACIJSA-N 2 1 278.484 3.929 20 0 CHADMP C[C@@H]1CCCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167961394 1122592637 /nfs/dbraw/zinc/59/26/37/1122592637.db2.gz JPVFGJXYPPFTEC-IVKSPPNPSA-N 2 1 290.495 3.808 20 0 CHADMP CC1(C)C[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000516650755 1122618809 /nfs/dbraw/zinc/61/88/09/1122618809.db2.gz TZCIGLKCGFGCHQ-IRXDYDNUSA-N 2 1 284.447 3.572 20 0 CHADMP CC1(C)C[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000516650755 1122618813 /nfs/dbraw/zinc/61/88/13/1122618813.db2.gz TZCIGLKCGFGCHQ-IRXDYDNUSA-N 2 1 284.447 3.572 20 0 CHADMP CC[C@@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000516678023 1122620931 /nfs/dbraw/zinc/62/09/31/1122620931.db2.gz APRUBKDJEQVMDU-MRXNPFEDSA-N 2 1 274.452 3.629 20 0 CHADMP C[C@@H]1CC[N@@H+](CCCc2ccccc2Cl)CC[C@H]1C[NH3+] ZINC001205604402 1122654996 /nfs/dbraw/zinc/65/49/96/1122654996.db2.gz VGIBZFGHEGKGKO-ZBFHGGJFSA-N 2 1 294.870 3.579 20 0 CHADMP Cc1ccc([C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)C2CCCC2)o1 ZINC000425914625 1122660002 /nfs/dbraw/zinc/66/00/02/1122660002.db2.gz BYXLTMKDJAWZTJ-DYVFJYSZSA-N 2 1 278.440 3.607 20 0 CHADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc3ccc(C)cc3o2)C1 ZINC000425924538 1122661492 /nfs/dbraw/zinc/66/14/92/1122661492.db2.gz MVCVXCHDMAEVJH-GJZGRUSLSA-N 2 1 286.419 3.734 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc3ccc(C)cc3o2)C1 ZINC000425924538 1122661493 /nfs/dbraw/zinc/66/14/93/1122661493.db2.gz MVCVXCHDMAEVJH-GJZGRUSLSA-N 2 1 286.419 3.734 20 0 CHADMP CC[C@@H](C[NH2+]Cc1c(C)cc(C)cc1C)[NH+]1CCCC1 ZINC000517538127 1122682772 /nfs/dbraw/zinc/68/27/72/1122682772.db2.gz LJHPXTLPHNQWND-KRWDZBQOSA-N 2 1 274.452 3.576 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](CC)[C@H]1CCCC[C@@H]1C ZINC001193412574 1122690436 /nfs/dbraw/zinc/69/04/36/1122690436.db2.gz FOUQSSRCAPHSRU-HOTGVXAUSA-N 2 1 254.462 3.619 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000426036828 1122705132 /nfs/dbraw/zinc/70/51/32/1122705132.db2.gz RZPSWIDNKQXFMZ-SPYBWZPUSA-N 2 1 286.463 3.772 20 0 CHADMP Cc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c(C)c1 ZINC000426315089 1122762603 /nfs/dbraw/zinc/76/26/03/1122762603.db2.gz ZYSAXDLKZMXQFS-AEFFLSMTSA-N 2 1 288.479 3.511 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[Si](C)(C)C)cc1 ZINC000775619977 1122820393 /nfs/dbraw/zinc/82/03/93/1122820393.db2.gz URXNERSGGSLZTA-CYBMUJFWSA-N 2 1 287.483 3.709 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@H](c2cccs2)C2CC2)CC1 ZINC000049956859 1122894700 /nfs/dbraw/zinc/89/47/00/1122894700.db2.gz SPAJDOORYDFTOI-INIZCTEOSA-N 2 1 278.465 3.663 20 0 CHADMP c1sc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1-c1ccccc1 ZINC000427109343 1122945726 /nfs/dbraw/zinc/94/57/26/1122945726.db2.gz GYPKGMUTRMQTFL-MAUKXSAKSA-N 2 1 298.455 3.599 20 0 CHADMP c1sc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1-c1ccccc1 ZINC000427109343 1122945730 /nfs/dbraw/zinc/94/57/30/1122945730.db2.gz GYPKGMUTRMQTFL-MAUKXSAKSA-N 2 1 298.455 3.599 20 0 CHADMP CCC1([NH+]2CCCCC2)CC[NH+](CCSC(C)C)CC1 ZINC001197360209 1122954356 /nfs/dbraw/zinc/95/43/56/1122954356.db2.gz WYNKZNHGAXBPBI-UHFFFAOYSA-N 2 1 298.540 3.859 20 0 CHADMP C[C@H](CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)CC(C)(C)C ZINC000188030519 1123011713 /nfs/dbraw/zinc/01/17/13/1123011713.db2.gz KDAJYYFFZURNDK-ILXRZTDVSA-N 2 1 254.462 3.521 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCc2c1cccc2C ZINC000164600264 1123020764 /nfs/dbraw/zinc/02/07/64/1123020764.db2.gz NJPLUQRHZDYGJK-GOSISDBHSA-N 2 1 283.419 3.557 20 0 CHADMP CC[C@H](C[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001199268465 1123025611 /nfs/dbraw/zinc/02/56/11/1123025611.db2.gz YBKYKHGHXMCFMO-FGTMMUONSA-N 2 1 288.479 3.890 20 0 CHADMP CC[C@H](C[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001199268465 1123025613 /nfs/dbraw/zinc/02/56/13/1123025613.db2.gz YBKYKHGHXMCFMO-FGTMMUONSA-N 2 1 288.479 3.890 20 0 CHADMP CC[C@@H](F)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000440774563 1123037571 /nfs/dbraw/zinc/03/75/71/1123037571.db2.gz YFQFIKQKPJULGO-NVXWUHKLSA-N 2 1 284.463 3.711 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205901694 1123059857 /nfs/dbraw/zinc/05/98/57/1123059857.db2.gz FDVBPJFTJWYEEN-XETQRACLSA-N 2 1 252.446 3.572 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1Cc1ccc(C)cc1 ZINC000441326146 1123078546 /nfs/dbraw/zinc/07/85/46/1123078546.db2.gz VTQISLCNCUNBLA-IBGZPJMESA-N 2 1 297.446 3.597 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1Cc1ccc(C)cc1 ZINC000441326146 1123078551 /nfs/dbraw/zinc/07/85/51/1123078551.db2.gz VTQISLCNCUNBLA-IBGZPJMESA-N 2 1 297.446 3.597 20 0 CHADMP CCC(CC)[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995022 1123102852 /nfs/dbraw/zinc/10/28/52/1123102852.db2.gz UFVOXCKUIQROAW-SJPCQFCGSA-N 2 1 264.457 3.512 20 0 CHADMP CC(C)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167995108 1123103229 /nfs/dbraw/zinc/10/32/29/1123103229.db2.gz WOFMOADBPKUWOX-DFNIBXOVSA-N 2 1 290.495 3.760 20 0 CHADMP CC[C@@H](C)C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001201520608 1123121281 /nfs/dbraw/zinc/12/12/81/1123121281.db2.gz GHCCMOITKGCIOO-OAHLLOKOSA-N 2 1 292.442 3.768 20 0 CHADMP CC[C@@H](C)C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001201520608 1123121283 /nfs/dbraw/zinc/12/12/83/1123121283.db2.gz GHCCMOITKGCIOO-OAHLLOKOSA-N 2 1 292.442 3.768 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001201976342 1123159324 /nfs/dbraw/zinc/15/93/24/1123159324.db2.gz LZRBDCMNPOQKIE-MRXNPFEDSA-N 2 1 266.473 3.785 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001201976342 1123159326 /nfs/dbraw/zinc/15/93/26/1123159326.db2.gz LZRBDCMNPOQKIE-MRXNPFEDSA-N 2 1 266.473 3.785 20 0 CHADMP CC(C)(C)CC[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001202086549 1123173841 /nfs/dbraw/zinc/17/38/41/1123173841.db2.gz FDMYZCKIFNOCOM-MRXNPFEDSA-N 2 1 266.473 3.763 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1CCC(C)(C)C ZINC001202096767 1123175525 /nfs/dbraw/zinc/17/55/25/1123175525.db2.gz ROSXROUIPYGBEB-HOTGVXAUSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@H]1CC([NH2+]C2(C)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168008184 1123216101 /nfs/dbraw/zinc/21/61/01/1123216101.db2.gz WMANPTUVSMGGGB-GJZGRUSLSA-N 2 1 272.436 3.570 20 0 CHADMP C[C@@H]([C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CCCCC1 ZINC000152429897 1123216890 /nfs/dbraw/zinc/21/68/90/1123216890.db2.gz UIOLBYBNQDSSIV-JYJNAYRXSA-N 2 1 278.484 3.665 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@@H](C)C1CCCCC1 ZINC000152429823 1123217277 /nfs/dbraw/zinc/21/72/77/1123217277.db2.gz UIOLBYBNQDSSIV-PMPSAXMXSA-N 2 1 278.484 3.665 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3ccc(Cl)cc32)C1 ZINC000536496458 1123233732 /nfs/dbraw/zinc/23/37/32/1123233732.db2.gz GZRZJOZVFBDJPR-GUYCJALGSA-N 2 1 292.854 3.649 20 0 CHADMP Cc1cccc2[nH]c(C[NH2+]C3CC[NH+](C(C)(C)C)CC3)cc21 ZINC000850036633 1123238862 /nfs/dbraw/zinc/23/88/62/1123238862.db2.gz WIKLCOJJRXACDH-UHFFFAOYSA-N 2 1 299.462 3.829 20 0 CHADMP Cc1cc2c(cc1C)[C@@H]([NH2+][C@H](C)CC[NH+](C)C)CCS2 ZINC000427715395 1123245494 /nfs/dbraw/zinc/24/54/94/1123245494.db2.gz QIDSWMRZOQOQDO-ZBFHGGJFSA-N 2 1 292.492 3.770 20 0 CHADMP CC(C)[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(F)c(F)c1 ZINC000665247665 1123255982 /nfs/dbraw/zinc/25/59/82/1123255982.db2.gz HOCZTAHWSCQFJY-HNNXBMFYSA-N 2 1 282.378 3.523 20 0 CHADMP CC[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccccc1OC(F)F ZINC000665248889 1123259393 /nfs/dbraw/zinc/25/93/93/1123259393.db2.gz FHSZZSUZWLKMCD-ZDUSSCGKSA-N 2 1 298.377 3.600 20 0 CHADMP Cc1cc2c(cc1C)[C@H]([NH2+]CC1([NH3+])CCCC1)CCS2 ZINC000665248513 1123261604 /nfs/dbraw/zinc/26/16/04/1123261604.db2.gz YGJOEVOGVZTLAQ-OAHLLOKOSA-N 2 1 290.476 3.701 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc2c(s1)CCCC2 ZINC000156292699 1129111682 /nfs/dbraw/zinc/11/16/82/1129111682.db2.gz VMVKNIRGBIPYGG-ZIAGYGMSSA-N 2 1 292.492 3.619 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc2c(s1)CCCC2 ZINC000156292699 1129111683 /nfs/dbraw/zinc/11/16/83/1129111683.db2.gz VMVKNIRGBIPYGG-ZIAGYGMSSA-N 2 1 292.492 3.619 20 0 CHADMP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc(-c2ccccc2)c1 ZINC000665277573 1123308598 /nfs/dbraw/zinc/30/85/98/1123308598.db2.gz FRXQHGGHRCGITN-SHPPYHEDSA-N 2 1 292.426 3.756 20 0 CHADMP Cc1cc2cc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)oc2cc1C ZINC000442927667 1123348749 /nfs/dbraw/zinc/34/87/49/1123348749.db2.gz ONPMCWAVMVKRHT-HNNXBMFYSA-N 2 1 286.419 3.610 20 0 CHADMP C[C@@H]([NH2+]C[C@]1(c2ccccc2)CC1(C)C)c1c[nH+]ccc1N ZINC000665299590 1123348850 /nfs/dbraw/zinc/34/88/50/1123348850.db2.gz PTBWQGDCECSTPV-KUHUBIRLSA-N 2 1 295.430 3.513 20 0 CHADMP CCC[C@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccsc1 ZINC000443104398 1123357175 /nfs/dbraw/zinc/35/71/75/1123357175.db2.gz SCLIVAVDVRKTAR-HNNXBMFYSA-N 2 1 268.470 3.909 20 0 CHADMP CCC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccsc1 ZINC000443104398 1123357178 /nfs/dbraw/zinc/35/71/78/1123357178.db2.gz SCLIVAVDVRKTAR-HNNXBMFYSA-N 2 1 268.470 3.909 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2c3ccccc3-c3ccccc32)CCN1C ZINC000388871750 1123382916 /nfs/dbraw/zinc/38/29/16/1123382916.db2.gz QCNXXHBMTHCELD-LSDHHAIUSA-N 2 1 292.426 3.829 20 0 CHADMP CC[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168016319 1123390571 /nfs/dbraw/zinc/39/05/71/1123390571.db2.gz UYZMMEMNVXSVRY-CUSZFKRNSA-N 2 1 274.452 3.816 20 0 CHADMP C[N@@H+](CCC[NH2+][C@H]1CCC12CCCC2)Cc1ccccc1 ZINC000474046733 1123400724 /nfs/dbraw/zinc/40/07/24/1123400724.db2.gz SDXLACJPXFRCEP-SFHVURJKSA-N 2 1 286.463 3.821 20 0 CHADMP CCCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853240653 1123428809 /nfs/dbraw/zinc/42/88/09/1123428809.db2.gz QEEPQUVBPBXUOU-RDJZCZTQSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@H]1C[C@@H]([N@@H+](C)CCCC2CCCCC2)CCN1C ZINC000428284961 1123442579 /nfs/dbraw/zinc/44/25/79/1123442579.db2.gz MWNJGMHQAYZCAV-RDJZCZTQSA-N 2 1 266.473 3.761 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCC(F)(F)F)C[C@H]1C ZINC000443621209 1123448658 /nfs/dbraw/zinc/44/86/58/1123448658.db2.gz LJTWQLAQBFZMHX-OLZOCXBDSA-N 2 1 280.378 3.524 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCC(F)(F)F)C[C@H]1C ZINC000443621209 1123448660 /nfs/dbraw/zinc/44/86/60/1123448660.db2.gz LJTWQLAQBFZMHX-OLZOCXBDSA-N 2 1 280.378 3.524 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCC(F)(F)F)C[C@H]1C ZINC000443621209 1123448666 /nfs/dbraw/zinc/44/86/66/1123448666.db2.gz LJTWQLAQBFZMHX-OLZOCXBDSA-N 2 1 280.378 3.524 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000443641870 1123456207 /nfs/dbraw/zinc/45/62/07/1123456207.db2.gz MRBLKZGEDCDJHB-YTQUADARSA-N 2 1 290.495 3.643 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000443641870 1123456209 /nfs/dbraw/zinc/45/62/09/1123456209.db2.gz MRBLKZGEDCDJHB-YTQUADARSA-N 2 1 290.495 3.643 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000443641870 1123456214 /nfs/dbraw/zinc/45/62/14/1123456214.db2.gz MRBLKZGEDCDJHB-YTQUADARSA-N 2 1 290.495 3.643 20 0 CHADMP CC(C)[C@@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000474151248 1123470986 /nfs/dbraw/zinc/47/09/86/1123470986.db2.gz DKUAAXURSGKIHD-PKOBYXMFSA-N 2 1 288.479 3.700 20 0 CHADMP CC(C)[C@@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000474151248 1123470988 /nfs/dbraw/zinc/47/09/88/1123470988.db2.gz DKUAAXURSGKIHD-PKOBYXMFSA-N 2 1 288.479 3.700 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000052206068 1123478496 /nfs/dbraw/zinc/47/84/96/1123478496.db2.gz DKPIMGYYESEQSJ-NVXWUHKLSA-N 2 1 260.425 3.520 20 0 CHADMP CC(C)[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000052420837 1123482441 /nfs/dbraw/zinc/48/24/41/1123482441.db2.gz PKSGUDCOKZOHCW-IYBDPMFKSA-N 2 1 274.452 3.663 20 0 CHADMP CCC1(CC)CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000474432534 1123529455 /nfs/dbraw/zinc/52/94/55/1123529455.db2.gz QWDYGCXGPOMEPP-IRXDYDNUSA-N 2 1 278.484 3.952 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000474456772 1123532977 /nfs/dbraw/zinc/53/29/77/1123532977.db2.gz GAUBBBYXPYHDPW-OAGGEKHMSA-N 2 1 292.467 3.507 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000429529711 1123547512 /nfs/dbraw/zinc/54/75/12/1123547512.db2.gz QEPOZRJYEAKREA-NVXWUHKLSA-N 2 1 292.854 3.743 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@H+]([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000429529711 1123547517 /nfs/dbraw/zinc/54/75/17/1123547517.db2.gz QEPOZRJYEAKREA-NVXWUHKLSA-N 2 1 292.854 3.743 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H](C(C)C)C2)C1 ZINC000474602594 1123556707 /nfs/dbraw/zinc/55/67/07/1123556707.db2.gz NCNONADIBIFKGY-IKGGRYGDSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@@H]1CCC[C@@H](CC[N@H+]2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000429531813 1123557963 /nfs/dbraw/zinc/55/79/63/1123557963.db2.gz WRDALCDVBXFXBG-IXDOHACOSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H]1CC[N@@H+]1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168038973 1123559445 /nfs/dbraw/zinc/55/94/45/1123559445.db2.gz AQGNHSLKJBKQKB-BZUAXINKSA-N 2 1 272.436 3.522 20 0 CHADMP C[C@@H]1CC[N@H+]1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168038973 1123559449 /nfs/dbraw/zinc/55/94/49/1123559449.db2.gz AQGNHSLKJBKQKB-BZUAXINKSA-N 2 1 272.436 3.522 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]CC2=CCCCC2)C[C@@H]1c1ccccc1 ZINC000453250868 1123563901 /nfs/dbraw/zinc/56/39/01/1123563901.db2.gz MXPDZPSULSTJKO-RBUKOAKNSA-N 2 1 284.447 3.912 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC2=CCCCC2)C[C@@H]1c1ccccc1 ZINC000453250868 1123563905 /nfs/dbraw/zinc/56/39/05/1123563905.db2.gz MXPDZPSULSTJKO-RBUKOAKNSA-N 2 1 284.447 3.912 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000429538507 1123570947 /nfs/dbraw/zinc/57/09/47/1123570947.db2.gz JJHGNOPGLSNOHM-GOSISDBHSA-N 2 1 288.479 3.900 20 0 CHADMP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000453353999 1123574198 /nfs/dbraw/zinc/57/41/98/1123574198.db2.gz OBLSFSJMJCAHNU-RDGPPVDQSA-N 2 1 286.463 3.704 20 0 CHADMP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000453353999 1123574199 /nfs/dbraw/zinc/57/41/99/1123574199.db2.gz OBLSFSJMJCAHNU-RDGPPVDQSA-N 2 1 286.463 3.704 20 0 CHADMP CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000453354001 1123574775 /nfs/dbraw/zinc/57/47/75/1123574775.db2.gz OBLSFSJMJCAHNU-VJANTYMQSA-N 2 1 286.463 3.704 20 0 CHADMP CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000453354001 1123574776 /nfs/dbraw/zinc/57/47/76/1123574776.db2.gz OBLSFSJMJCAHNU-VJANTYMQSA-N 2 1 286.463 3.704 20 0 CHADMP C[C@@H]1CC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168042283 1123594377 /nfs/dbraw/zinc/59/43/77/1123594377.db2.gz YSJPKNMLOFXEDC-IKGGRYGDSA-N 2 1 286.463 3.770 20 0 CHADMP C[C@@H]1CC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168042283 1123594380 /nfs/dbraw/zinc/59/43/80/1123594380.db2.gz YSJPKNMLOFXEDC-IKGGRYGDSA-N 2 1 286.463 3.770 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@@H+](CC2CCC(C)(C)CC2)CC1 ZINC000429541296 1123595008 /nfs/dbraw/zinc/59/50/08/1123595008.db2.gz OHXJNGZJELDBDN-INIZCTEOSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@H](c1ccco1)[N@@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000346131310 1123665371 /nfs/dbraw/zinc/66/53/71/1123665371.db2.gz AOYAQIOHLKXQCN-GFCCVEGCSA-N 2 1 287.388 3.720 20 0 CHADMP CC1(C)CCC[C@H]1[N@@H+](CCn1ccnc1)Cc1ccccc1 ZINC000346310754 1123679635 /nfs/dbraw/zinc/67/96/35/1123679635.db2.gz NORHBFOXHQRKEU-GOSISDBHSA-N 2 1 297.446 3.964 20 0 CHADMP CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1C ZINC000346305446 1123679797 /nfs/dbraw/zinc/67/97/97/1123679797.db2.gz IGQYGGBMECVLQL-RBUKOAKNSA-N 2 1 297.446 3.850 20 0 CHADMP CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCn1cc[nH+]c1C ZINC000346305446 1123679801 /nfs/dbraw/zinc/67/98/01/1123679801.db2.gz IGQYGGBMECVLQL-RBUKOAKNSA-N 2 1 297.446 3.850 20 0 CHADMP CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1C ZINC000346305448 1123679958 /nfs/dbraw/zinc/67/99/58/1123679958.db2.gz IGQYGGBMECVLQL-RTBURBONSA-N 2 1 297.446 3.850 20 0 CHADMP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCn1cc[nH+]c1C ZINC000346305448 1123679960 /nfs/dbraw/zinc/67/99/60/1123679960.db2.gz IGQYGGBMECVLQL-RTBURBONSA-N 2 1 297.446 3.850 20 0 CHADMP CC[C@@H](CC(F)F)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212617 1123690175 /nfs/dbraw/zinc/69/01/75/1123690175.db2.gz LZFKNCBDCQJVTI-AWEZNQCLSA-N 2 1 298.421 3.861 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+]1CCCC2(CCCCC2)CC1 ZINC000346631901 1123703140 /nfs/dbraw/zinc/70/31/40/1123703140.db2.gz DDAINEHVHJCFLD-UHFFFAOYSA-N 2 1 275.440 3.628 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+]1CCCC2(CCCCC2)CC1 ZINC000346631901 1123703144 /nfs/dbraw/zinc/70/31/44/1123703144.db2.gz DDAINEHVHJCFLD-UHFFFAOYSA-N 2 1 275.440 3.628 20 0 CHADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000346694001 1123706621 /nfs/dbraw/zinc/70/66/21/1123706621.db2.gz RBFYYLJRRZIMIO-UKRRQHHQSA-N 2 1 286.444 3.584 20 0 CHADMP CCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)C1CCCCC1 ZINC000163274095 1129140587 /nfs/dbraw/zinc/14/05/87/1129140587.db2.gz MRCBNSFFUZABDW-DOTOQJQBSA-N 2 1 266.473 3.667 20 0 CHADMP CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000475131410 1123796765 /nfs/dbraw/zinc/79/67/65/1123796765.db2.gz RNSILQGMBSXIDN-IRXDYDNUSA-N 2 1 276.468 3.539 20 0 CHADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000840810049 1123817800 /nfs/dbraw/zinc/81/78/00/1123817800.db2.gz NVSWZOPAMOMHIN-HUUCEWRRSA-N 2 1 278.415 3.517 20 0 CHADMP CC1(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000475216109 1123825419 /nfs/dbraw/zinc/82/54/19/1123825419.db2.gz MZAVGQOSRDDNKX-CEXWTWQISA-N 2 1 298.474 3.677 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+][C@H](C3CC3)C3CCC3)CC2)cc1 ZINC000324881742 1123830134 /nfs/dbraw/zinc/83/01/34/1123830134.db2.gz DQGFQWRESLWKMS-FQEVSTJZSA-N 2 1 298.474 3.819 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](C)C1CCCCC1 ZINC000339044881 1123831431 /nfs/dbraw/zinc/83/14/31/1123831431.db2.gz PLQOZCLYTZVCEC-OAHLLOKOSA-N 2 1 277.456 3.730 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](C)C1CCCCC1 ZINC000339044881 1123831436 /nfs/dbraw/zinc/83/14/36/1123831436.db2.gz PLQOZCLYTZVCEC-OAHLLOKOSA-N 2 1 277.456 3.730 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3CCC[C@@H]3C3CC3)C2)cc1 ZINC000475286736 1123834456 /nfs/dbraw/zinc/83/44/56/1123834456.db2.gz LOIDCWXKVBLPSD-RLLQIKCJSA-N 2 1 298.474 3.677 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)Cc1ccccc1SC ZINC000475343888 1123845637 /nfs/dbraw/zinc/84/56/37/1123845637.db2.gz UPEYFWFSHDBSFT-LSDHHAIUSA-N 2 1 294.508 3.659 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH2+]CC2CCC(C(C)(C)C)CC2)C1 ZINC000129872188 1123856449 /nfs/dbraw/zinc/85/64/49/1123856449.db2.gz OZHPFZQLJTZCIY-CGZBRXJRSA-N 2 1 280.500 3.770 20 0 CHADMP c1ccc([C@@H]2C[C@H]3C[N@H+](CCCC4CC[NH2+]CC4)C[C@H]32)cc1 ZINC000863556806 1123876021 /nfs/dbraw/zinc/87/60/21/1123876021.db2.gz HTWCQEMCKPUFSA-SLFFLAALSA-N 2 1 298.474 3.502 20 0 CHADMP CN(CC[C@H]1CCCC[N@@H+]1C)c1cc[nH+]c2ccsc21 ZINC000301444124 1123901779 /nfs/dbraw/zinc/90/17/79/1123901779.db2.gz JLOJPHIUIQDYEB-CYBMUJFWSA-N 2 1 289.448 3.607 20 0 CHADMP CN(CC[C@H]1CCCC[N@H+]1C)c1cc[nH+]c2ccsc21 ZINC000301444124 1123901780 /nfs/dbraw/zinc/90/17/80/1123901780.db2.gz JLOJPHIUIQDYEB-CYBMUJFWSA-N 2 1 289.448 3.607 20 0 CHADMP CC[NH+](CC)[C@H](CNc1cc[nH+]cc1Cl)c1ccco1 ZINC000301500032 1123905879 /nfs/dbraw/zinc/90/58/79/1123905879.db2.gz FOCWPYZPEULQMX-CQSZACIVSA-N 2 1 293.798 3.823 20 0 CHADMP CCCC[N@H+](C)CC1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000301519782 1123907145 /nfs/dbraw/zinc/90/71/45/1123907145.db2.gz HIVPYFBEACFPRE-UHFFFAOYSA-N 2 1 295.858 3.683 20 0 CHADMP CCCC[N@@H+](C)CC1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000301519782 1123907147 /nfs/dbraw/zinc/90/71/47/1123907147.db2.gz HIVPYFBEACFPRE-UHFFFAOYSA-N 2 1 295.858 3.683 20 0 CHADMP C[NH+](C)[C@@H](CNc1cc[nH+]cc1Cl)c1cccc(F)c1 ZINC000301590613 1123915039 /nfs/dbraw/zinc/91/50/39/1123915039.db2.gz QMFZSJIOIABFEI-HNNXBMFYSA-N 2 1 293.773 3.589 20 0 CHADMP CC(C)C[N@@H+]1CC[C@@H](CNc2cc[nH+]c3ccsc32)C1 ZINC000301604423 1123917258 /nfs/dbraw/zinc/91/72/58/1123917258.db2.gz LURNYGWCEYGKPQ-ZDUSSCGKSA-N 2 1 289.448 3.686 20 0 CHADMP CC(C)C[N@H+]1CC[C@@H](CNc2cc[nH+]c3ccsc32)C1 ZINC000301604423 1123917260 /nfs/dbraw/zinc/91/72/60/1123917260.db2.gz LURNYGWCEYGKPQ-ZDUSSCGKSA-N 2 1 289.448 3.686 20 0 CHADMP C[C@@H]1CCCC[N@@H+]1CCCCNc1[nH]c2ccccc2[nH+]1 ZINC000301862722 1123939219 /nfs/dbraw/zinc/93/92/19/1123939219.db2.gz GHAHVVCYGZRSBJ-CQSZACIVSA-N 2 1 286.423 3.629 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCCNc1[nH]c2ccccc2[nH+]1 ZINC000301862722 1123939220 /nfs/dbraw/zinc/93/92/20/1123939220.db2.gz GHAHVVCYGZRSBJ-CQSZACIVSA-N 2 1 286.423 3.629 20 0 CHADMP CCC[N@H+]1CC[C@H](CNc2cc(C)[nH+]c3ccccc23)C1 ZINC000301992709 1123949205 /nfs/dbraw/zinc/94/92/05/1123949205.db2.gz QRGYNXVMLMWULA-OAHLLOKOSA-N 2 1 283.419 3.687 20 0 CHADMP Cc1[nH+]c2ccccc2c(NC[C@@H]2CCC[N@H+](C)C2)c1C ZINC000302057351 1123952524 /nfs/dbraw/zinc/95/25/24/1123952524.db2.gz BFVAIHRVAYCYOG-HNNXBMFYSA-N 2 1 283.419 3.605 20 0 CHADMP Cc1cc(NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000302428283 1123968441 /nfs/dbraw/zinc/96/84/41/1123968441.db2.gz KJZYZQQGRQDKPX-LJQANCHMSA-N 2 1 295.430 3.713 20 0 CHADMP CCC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CCCCC1 ZINC000152442532 1124003067 /nfs/dbraw/zinc/00/30/67/1124003067.db2.gz DTIPCVRQVGYTRN-MAUKXSAKSA-N 2 1 278.484 3.809 20 0 CHADMP C[NH+]1CCC([NH2+][C@@H]2CCc3cccc4cccc2c43)CC1 ZINC000866216692 1124038278 /nfs/dbraw/zinc/03/82/78/1124038278.db2.gz AUPFSZKILWDWNP-GOSISDBHSA-N 2 1 280.415 3.511 20 0 CHADMP CCC[N@H+](Cc1ccc(C)cc1Cl)C1CC[NH2+]CC1 ZINC000233079014 1124041571 /nfs/dbraw/zinc/04/15/71/1124041571.db2.gz NHSUKLXZLKXKAP-UHFFFAOYSA-N 2 1 280.843 3.612 20 0 CHADMP CCC[N@@H+](Cc1ccc(C)cc1Cl)C1CC[NH2+]CC1 ZINC000233079014 1124041575 /nfs/dbraw/zinc/04/15/75/1124041575.db2.gz NHSUKLXZLKXKAP-UHFFFAOYSA-N 2 1 280.843 3.612 20 0 CHADMP C[N@H+](CCC[NH+]1CCCCC1)Cc1cc2ccccc2o1 ZINC000444598379 1124045588 /nfs/dbraw/zinc/04/55/88/1124045588.db2.gz OQHXIGPCVKTSAX-UHFFFAOYSA-N 2 1 286.419 3.741 20 0 CHADMP C[N@@H+](CCC[NH+]1CCCCC1)Cc1cc2ccccc2o1 ZINC000444598379 1124045594 /nfs/dbraw/zinc/04/55/94/1124045594.db2.gz OQHXIGPCVKTSAX-UHFFFAOYSA-N 2 1 286.419 3.741 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCc3cccc4cccc2c43)CC1 ZINC000866313551 1124050677 /nfs/dbraw/zinc/05/06/77/1124050677.db2.gz CRPXZRZEOAZENV-IBGZPJMESA-N 2 1 292.426 3.679 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(C(F)(F)F)s1 ZINC000717983253 1129164631 /nfs/dbraw/zinc/16/46/31/1129164631.db2.gz AZWLNFKHKWVQPQ-VHSXEESVSA-N 2 1 294.386 3.758 20 0 CHADMP C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000445354717 1124081101 /nfs/dbraw/zinc/08/11/01/1124081101.db2.gz TXBFXRGKMXNPPJ-IRXDYDNUSA-N 2 1 298.474 3.654 20 0 CHADMP C[N@@H+](CCCCCCC[NH3+])Cc1ccc2cc[nH]c2c1 ZINC000866717997 1124095130 /nfs/dbraw/zinc/09/51/30/1124095130.db2.gz VZNQOTGHZUKWCA-UHFFFAOYSA-N 2 1 273.424 3.509 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC2(CCCC2)C1 ZINC000445858205 1124104105 /nfs/dbraw/zinc/10/41/05/1124104105.db2.gz CJAIMWGQDBKDAI-UHFFFAOYSA-N 2 1 275.440 3.628 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC2(CCCC2)C1 ZINC000445858205 1124104106 /nfs/dbraw/zinc/10/41/06/1124104106.db2.gz CJAIMWGQDBKDAI-UHFFFAOYSA-N 2 1 275.440 3.628 20 0 CHADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000445998697 1124107683 /nfs/dbraw/zinc/10/76/83/1124107683.db2.gz MPJJPLUGSBPVTR-CEXWTWQISA-N 2 1 286.463 3.787 20 0 CHADMP CCC(CC)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000447071342 1124132431 /nfs/dbraw/zinc/13/24/31/1124132431.db2.gz XKQVWEMCTPMQMS-UHFFFAOYSA-N 2 1 276.424 3.669 20 0 CHADMP CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC)C1)c1cc(C)ccn1 ZINC001118991242 1131244265 /nfs/dbraw/zinc/24/42/65/1131244265.db2.gz JPCVFGAOJBWKMY-IAGOWNOFSA-N 2 1 289.467 3.553 20 0 CHADMP CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)c1cc(C)ccn1 ZINC001118991242 1131244268 /nfs/dbraw/zinc/24/42/68/1131244268.db2.gz JPCVFGAOJBWKMY-IAGOWNOFSA-N 2 1 289.467 3.553 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](C(C)C)c3ccccc32)CC1 ZINC000447521197 1124479696 /nfs/dbraw/zinc/47/96/96/1124479696.db2.gz VPSNXKOZRILUNH-MOPGFXCFSA-N 2 1 286.463 3.945 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+]CC[C@@H](C)c1ccccc1 ZINC000447821149 1124527275 /nfs/dbraw/zinc/52/72/75/1124527275.db2.gz JQCSSIALZJQVEF-HZPDHXFCSA-N 2 1 262.441 3.500 20 0 CHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000448066297 1124559836 /nfs/dbraw/zinc/55/98/36/1124559836.db2.gz DBVXPVXQMUIOAZ-QFBILLFUSA-N 2 1 298.474 3.819 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000448066297 1124559841 /nfs/dbraw/zinc/55/98/41/1124559841.db2.gz DBVXPVXQMUIOAZ-QFBILLFUSA-N 2 1 298.474 3.819 20 0 CHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(C2=CCC[NH2+]CC2)nc1 ZINC001238939272 1131274677 /nfs/dbraw/zinc/27/46/77/1131274677.db2.gz BOTNAONURXPQAG-LJQANCHMSA-N 2 1 299.462 3.785 20 0 CHADMP CC(C)CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000449086511 1124644473 /nfs/dbraw/zinc/64/44/73/1124644473.db2.gz BWNVSMWOYSPAOL-OWSLCNJRSA-N 2 1 278.484 3.808 20 0 CHADMP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000449083018 1124646408 /nfs/dbraw/zinc/64/64/08/1124646408.db2.gz RREOHVGDDBOFFD-OLMNPRSZSA-N 2 1 298.430 3.580 20 0 CHADMP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000449083018 1124646412 /nfs/dbraw/zinc/64/64/12/1124646412.db2.gz RREOHVGDDBOFFD-OLMNPRSZSA-N 2 1 298.430 3.580 20 0 CHADMP CC[C@H](CCC(F)(F)F)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000872032498 1124661653 /nfs/dbraw/zinc/66/16/53/1124661653.db2.gz VEZDGJWLVJUSAG-WCQYABFASA-N 2 1 291.361 3.538 20 0 CHADMP Cc1ccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c(C)c1 ZINC000449378326 1124715546 /nfs/dbraw/zinc/71/55/46/1124715546.db2.gz QYYAWXDSAXUXHK-MSOLQXFVSA-N 2 1 298.474 3.551 20 0 CHADMP CC1([NH+]2CCCCC2)CCN(c2cc[nH+]cc2Cl)CC1 ZINC000872665739 1124725468 /nfs/dbraw/zinc/72/54/68/1124725468.db2.gz RZIGZGSLJUUWRJ-UHFFFAOYSA-N 2 1 293.842 3.580 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccc(Cl)c(Cl)c1 ZINC001246097229 1131310517 /nfs/dbraw/zinc/31/05/17/1131310517.db2.gz XNNXTWXFJHGQJS-NHCYSSNCSA-N 2 1 287.234 3.785 20 0 CHADMP C[C@H](c1cc2ccccc2o1)N(C)CC[C@@H]1CCC[N@H+]1C ZINC000124848118 1124895125 /nfs/dbraw/zinc/89/51/25/1124895125.db2.gz YFYOXQADFFOHCO-ZBFHGGJFSA-N 2 1 286.419 3.910 20 0 CHADMP C[C@H](c1cc2ccccc2o1)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000124848118 1124895129 /nfs/dbraw/zinc/89/51/29/1124895129.db2.gz YFYOXQADFFOHCO-ZBFHGGJFSA-N 2 1 286.419 3.910 20 0 CHADMP C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000124848118 1124895138 /nfs/dbraw/zinc/89/51/38/1124895138.db2.gz YFYOXQADFFOHCO-ZBFHGGJFSA-N 2 1 286.419 3.910 20 0 CHADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1csc(Cl)c1 ZINC000300422195 1124904589 /nfs/dbraw/zinc/90/45/89/1124904589.db2.gz WKOTUWGZCIYVPJ-JFGNBEQYSA-N 2 1 272.845 3.535 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1csc(Cl)c1 ZINC000300422195 1124904593 /nfs/dbraw/zinc/90/45/93/1124904593.db2.gz WKOTUWGZCIYVPJ-JFGNBEQYSA-N 2 1 272.845 3.535 20 0 CHADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CCC[NH+](CC)CC ZINC001307495163 1124936118 /nfs/dbraw/zinc/93/61/18/1124936118.db2.gz BTFAIFUNTUCPQC-LJQANCHMSA-N 2 1 290.495 3.980 20 0 CHADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529538085 1124992681 /nfs/dbraw/zinc/99/26/81/1124992681.db2.gz KHAKITAVXKRDRX-DZGCQCFKSA-N 2 1 288.426 3.664 20 0 CHADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529538085 1124992683 /nfs/dbraw/zinc/99/26/83/1124992683.db2.gz KHAKITAVXKRDRX-DZGCQCFKSA-N 2 1 288.426 3.664 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2CCCCC2(F)F)CC1 ZINC000450467950 1125037796 /nfs/dbraw/zinc/03/77/96/1125037796.db2.gz MQTRHCVOZAYFLC-CQSZACIVSA-N 2 1 288.426 3.618 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CC/C=C/c2ccccc2)C[C@@H]1C ZINC000450472010 1125037913 /nfs/dbraw/zinc/03/79/13/1125037913.db2.gz WYSMHOPNBHNFBO-CJEONANGSA-N 2 1 286.463 3.895 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CC/C=C/c2ccccc2)C[C@@H]1C ZINC000450472010 1125037918 /nfs/dbraw/zinc/03/79/18/1125037918.db2.gz WYSMHOPNBHNFBO-CJEONANGSA-N 2 1 286.463 3.895 20 0 CHADMP CC[NH+]1CCC([N@H+](C)CC/C=C/c2ccccc2)CC1 ZINC000450470429 1125038682 /nfs/dbraw/zinc/03/86/82/1125038682.db2.gz UJVUCHWIBYIROB-YRNVUSSQSA-N 2 1 272.436 3.506 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)CC/C=C/c2ccccc2)CC1 ZINC000450470429 1125038690 /nfs/dbraw/zinc/03/86/90/1125038690.db2.gz UJVUCHWIBYIROB-YRNVUSSQSA-N 2 1 272.436 3.506 20 0 CHADMP C([N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C12CCC(CC1)C2 ZINC000450596245 1125066038 /nfs/dbraw/zinc/06/60/38/1125066038.db2.gz FUFDDXQRUOGKNE-DPCKTDSQSA-N 2 1 288.479 3.515 20 0 CHADMP C([N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C12CCC(CC1)C2 ZINC000450596245 1125066045 /nfs/dbraw/zinc/06/60/45/1125066045.db2.gz FUFDDXQRUOGKNE-DPCKTDSQSA-N 2 1 288.479 3.515 20 0 CHADMP C([NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C12CCC(CC1)C2 ZINC000450596245 1125066050 /nfs/dbraw/zinc/06/60/50/1125066050.db2.gz FUFDDXQRUOGKNE-DPCKTDSQSA-N 2 1 288.479 3.515 20 0 CHADMP C([NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C12CCC(CC1)C2 ZINC000450596245 1125066056 /nfs/dbraw/zinc/06/60/56/1125066056.db2.gz FUFDDXQRUOGKNE-DPCKTDSQSA-N 2 1 288.479 3.515 20 0 CHADMP CC(C)(C)C1CCC([NH2+]C[C@]2(F)CCCC[NH2+]C2)CC1 ZINC001246110186 1131329688 /nfs/dbraw/zinc/32/96/88/1131329688.db2.gz HNXOIRZANJNHRH-DQPZFDDXSA-N 2 1 284.463 3.663 20 0 CHADMP CCC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000121409647 1125119618 /nfs/dbraw/zinc/11/96/18/1125119618.db2.gz FCBUEUBSCAEHPY-CRAIPNDOSA-N 2 1 285.435 3.959 20 0 CHADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1C(C)(C)C ZINC000530513156 1125161435 /nfs/dbraw/zinc/16/14/35/1125161435.db2.gz LLMTXMDDZVNFPX-CQSZACIVSA-N 2 1 285.435 3.611 20 0 CHADMP C/C(=C\c1ccccc1)C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000237505122 1125165623 /nfs/dbraw/zinc/16/56/23/1125165623.db2.gz NCVNORYJZITLFX-ODECOBMASA-N 2 1 286.463 3.944 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cc2)C[C@H]1C ZINC000531140108 1125196746 /nfs/dbraw/zinc/19/67/46/1125196746.db2.gz MIQQYZOMROLIGR-CJNGLKHVSA-N 2 1 280.843 3.645 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cc2)C[C@H]1C ZINC000531140108 1125196744 /nfs/dbraw/zinc/19/67/44/1125196744.db2.gz MIQQYZOMROLIGR-CJNGLKHVSA-N 2 1 280.843 3.645 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C(C)(C)C)cc2)CC[N@@H+]1C ZINC000531378859 1125211804 /nfs/dbraw/zinc/21/18/04/1125211804.db2.gz DIQPMWVGGAMTAD-CRAIPNDOSA-N 2 1 288.479 3.899 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C(C)(C)C)cc2)CC[N@H+]1C ZINC000531378859 1125211808 /nfs/dbraw/zinc/21/18/08/1125211808.db2.gz DIQPMWVGGAMTAD-CRAIPNDOSA-N 2 1 288.479 3.899 20 0 CHADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C(C)(C)C)cc2)CC[NH+]1C ZINC000531378859 1125211810 /nfs/dbraw/zinc/21/18/10/1125211810.db2.gz DIQPMWVGGAMTAD-CRAIPNDOSA-N 2 1 288.479 3.899 20 0 CHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C(C)(C)C)cc2)CC[NH+]1C ZINC000531378859 1125211813 /nfs/dbraw/zinc/21/18/13/1125211813.db2.gz DIQPMWVGGAMTAD-CRAIPNDOSA-N 2 1 288.479 3.899 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc2ccccc21 ZINC000237554335 1125224437 /nfs/dbraw/zinc/22/44/37/1125224437.db2.gz ZWOLGJNJSQRLPY-OAHLLOKOSA-N 2 1 293.414 3.771 20 0 CHADMP Cc1nccn1CCCC[N@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000879749334 1125229868 /nfs/dbraw/zinc/22/98/68/1125229868.db2.gz GZRIXEPFYCOJKD-SFHVURJKSA-N 2 1 298.434 3.512 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000879749334 1125229872 /nfs/dbraw/zinc/22/98/72/1125229872.db2.gz GZRIXEPFYCOJKD-SFHVURJKSA-N 2 1 298.434 3.512 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000879749334 1125229874 /nfs/dbraw/zinc/22/98/74/1125229874.db2.gz GZRIXEPFYCOJKD-SFHVURJKSA-N 2 1 298.434 3.512 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)C)cc2)[C@@H](C)C1 ZINC000532206261 1125238037 /nfs/dbraw/zinc/23/80/37/1125238037.db2.gz FNEFILGTNSBRNM-YJBOKZPZSA-N 2 1 274.452 3.630 20 0 CHADMP CC[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000532192820 1125238413 /nfs/dbraw/zinc/23/84/13/1125238413.db2.gz UHZJLRDGEPLJGZ-JKSUJKDBSA-N 2 1 274.452 3.949 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000532236303 1125245238 /nfs/dbraw/zinc/24/52/38/1125245238.db2.gz ILFAYQSMQUGSKZ-UNEWFSDZSA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000532236303 1125245240 /nfs/dbraw/zinc/24/52/40/1125245240.db2.gz ILFAYQSMQUGSKZ-UNEWFSDZSA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000532236303 1125245246 /nfs/dbraw/zinc/24/52/46/1125245246.db2.gz ILFAYQSMQUGSKZ-UNEWFSDZSA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000532236303 1125245249 /nfs/dbraw/zinc/24/52/49/1125245249.db2.gz ILFAYQSMQUGSKZ-UNEWFSDZSA-N 2 1 292.854 3.817 20 0 CHADMP C[C@@H](CC[NH2+]Cc1cc(Cl)cs1)[NH+]1CCCCC1 ZINC000487537225 1125290593 /nfs/dbraw/zinc/29/05/93/1125290593.db2.gz KSXFLTKMSOYHHV-LBPRGKRZSA-N 2 1 286.872 3.756 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398074690 1125332288 /nfs/dbraw/zinc/33/22/88/1125332288.db2.gz FKIBUNUCSDWXIK-DWRORGKVSA-N 2 1 288.479 3.921 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398074690 1125332291 /nfs/dbraw/zinc/33/22/91/1125332291.db2.gz FKIBUNUCSDWXIK-DWRORGKVSA-N 2 1 288.479 3.921 20 0 CHADMP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]1C ZINC000321948418 1125335090 /nfs/dbraw/zinc/33/50/90/1125335090.db2.gz WIZIUYUNGCWGKJ-LZQZEXGQSA-N 2 1 286.463 3.675 20 0 CHADMP CC[N@@H+]([C@@H](C)Cc1ccc(Cl)cc1)C1CCN(C)CC1 ZINC001168180097 1125346008 /nfs/dbraw/zinc/34/60/08/1125346008.db2.gz PKNBPGBYPOAHLU-AWEZNQCLSA-N 2 1 294.870 3.687 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1sccc1Cl ZINC000883173773 1125374985 /nfs/dbraw/zinc/37/49/85/1125374985.db2.gz SWYPLKHMOWIRES-AAEUAGOBSA-N 2 1 286.872 3.784 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1sccc1Cl ZINC000883173773 1125374986 /nfs/dbraw/zinc/37/49/86/1125374986.db2.gz SWYPLKHMOWIRES-AAEUAGOBSA-N 2 1 286.872 3.784 20 0 CHADMP CC[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000532446404 1125387293 /nfs/dbraw/zinc/38/72/93/1125387293.db2.gz WSZYPMPIJQSSRW-HOTGVXAUSA-N 2 1 274.452 3.949 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000124356170 1125437148 /nfs/dbraw/zinc/43/71/48/1125437148.db2.gz OXUZWEHLRPCITH-IBGZPJMESA-N 2 1 297.446 3.536 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000124356170 1125437150 /nfs/dbraw/zinc/43/71/50/1125437150.db2.gz OXUZWEHLRPCITH-IBGZPJMESA-N 2 1 297.446 3.536 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](CC(C)C)C1 ZINC000125311199 1125447565 /nfs/dbraw/zinc/44/75/65/1125447565.db2.gz MVPHMUQVMSXCHL-KRWDZBQOSA-N 2 1 277.456 3.730 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](CC(C)C)C1 ZINC000125311199 1125447569 /nfs/dbraw/zinc/44/75/69/1125447569.db2.gz MVPHMUQVMSXCHL-KRWDZBQOSA-N 2 1 277.456 3.730 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](CC(C)C)C1 ZINC000125310930 1125448068 /nfs/dbraw/zinc/44/80/68/1125448068.db2.gz MVPHMUQVMSXCHL-QGZVFWFLSA-N 2 1 277.456 3.730 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](CC(C)C)C1 ZINC000125310930 1125448072 /nfs/dbraw/zinc/44/80/72/1125448072.db2.gz MVPHMUQVMSXCHL-QGZVFWFLSA-N 2 1 277.456 3.730 20 0 CHADMP CSC(C)(C)C[C@H](C)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001258331424 1129208477 /nfs/dbraw/zinc/20/84/77/1129208477.db2.gz NXXMQGYDJBOGJS-GJZGRUSLSA-N 2 1 286.529 3.748 20 0 CHADMP CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638291073 1129252418 /nfs/dbraw/zinc/25/24/18/1129252418.db2.gz ZPCIYMHZHODZBL-LESCRADOSA-N 2 1 272.436 3.743 20 0 CHADMP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638291073 1129252421 /nfs/dbraw/zinc/25/24/21/1129252421.db2.gz ZPCIYMHZHODZBL-LESCRADOSA-N 2 1 272.436 3.743 20 0 CHADMP CC1CC([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638726530 1129267610 /nfs/dbraw/zinc/26/76/10/1129267610.db2.gz RHBQZMRCTUMODI-VHHHDHQQSA-N 2 1 284.447 3.743 20 0 CHADMP CC1CC([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638726530 1129267611 /nfs/dbraw/zinc/26/76/11/1129267611.db2.gz RHBQZMRCTUMODI-VHHHDHQQSA-N 2 1 284.447 3.743 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC2(CCCCC2)CC1 ZINC000348069739 1129276814 /nfs/dbraw/zinc/27/68/14/1129276814.db2.gz IBXKBUYHWMYBEZ-MRXNPFEDSA-N 2 1 264.457 3.517 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000639225131 1129293827 /nfs/dbraw/zinc/29/38/27/1129293827.db2.gz WUZONRAEJOFUHV-LSBZLQRGSA-N 2 1 284.447 3.743 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000639225131 1129293830 /nfs/dbraw/zinc/29/38/30/1129293830.db2.gz WUZONRAEJOFUHV-LSBZLQRGSA-N 2 1 284.447 3.743 20 0 CHADMP CC1=C(C)C[C@@H]([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000639251486 1129297040 /nfs/dbraw/zinc/29/70/40/1129297040.db2.gz YUPCLYVDHDWZED-CIQAELJKSA-N 2 1 276.468 3.726 20 0 CHADMP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000639374163 1129307798 /nfs/dbraw/zinc/30/77/98/1129307798.db2.gz CFKQXBVVUIMQJZ-UHFFFAOYSA-N 2 1 297.446 3.618 20 0 CHADMP CC(C)=CCC[C@H](C)CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000642630485 1129422144 /nfs/dbraw/zinc/42/21/44/1129422144.db2.gz GQWQDVALSWPYDE-BZSNNMDCSA-N 2 1 278.484 3.975 20 0 CHADMP Cc1nc([C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c(C)s1 ZINC000643513993 1129443586 /nfs/dbraw/zinc/44/35/86/1129443586.db2.gz BZEPQHYAQWJMST-WDEREUQCSA-N 2 1 289.448 3.630 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc2ccccc21 ZINC000643505814 1129443909 /nfs/dbraw/zinc/44/39/09/1129443909.db2.gz VLBKOWJKTZZEFJ-QAPCUYQASA-N 2 1 268.404 3.633 20 0 CHADMP Cc1nc([C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c(C)s1 ZINC000643513992 1129444070 /nfs/dbraw/zinc/44/40/70/1129444070.db2.gz BZEPQHYAQWJMST-QWRGUYRKSA-N 2 1 289.448 3.630 20 0 CHADMP CCCCCC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000094984538 1129457434 /nfs/dbraw/zinc/45/74/34/1129457434.db2.gz RETRMESGJODSLW-MQVJKMGUSA-N 2 1 266.473 3.808 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@H]1CCC(C)(C)C1 ZINC001258606777 1129457786 /nfs/dbraw/zinc/45/77/86/1129457786.db2.gz BYRHEMVCTGOLED-ULQDDVLXSA-N 2 1 278.484 3.904 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@H]1CCC(C)(C)C1 ZINC001258606777 1129457788 /nfs/dbraw/zinc/45/77/88/1129457788.db2.gz BYRHEMVCTGOLED-ULQDDVLXSA-N 2 1 278.484 3.904 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@H]1CCC(C)(C)C1 ZINC001258606777 1129457791 /nfs/dbraw/zinc/45/77/91/1129457791.db2.gz BYRHEMVCTGOLED-ULQDDVLXSA-N 2 1 278.484 3.904 20 0 CHADMP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)s2)C[C@H](CC)[NH2+]1 ZINC001246178565 1131376487 /nfs/dbraw/zinc/37/64/87/1131376487.db2.gz YXDYHHMFEFULOE-GDNZZTSVSA-N 2 1 286.872 3.800 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000644784153 1129477259 /nfs/dbraw/zinc/47/72/59/1129477259.db2.gz OUXPMPMNXOZNPH-UZLBHIALSA-N 2 1 294.442 3.928 20 0 CHADMP C[C@H](c1cccc2ccccc21)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000644784153 1129477260 /nfs/dbraw/zinc/47/72/60/1129477260.db2.gz OUXPMPMNXOZNPH-UZLBHIALSA-N 2 1 294.442 3.928 20 0 CHADMP C[C@H](c1cccc2ccccc21)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000644784153 1129477262 /nfs/dbraw/zinc/47/72/62/1129477262.db2.gz OUXPMPMNXOZNPH-UZLBHIALSA-N 2 1 294.442 3.928 20 0 CHADMP C[C@@H](c1cccs1)[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251285559 1129519956 /nfs/dbraw/zinc/51/99/56/1129519956.db2.gz SSTGPKXRPLXJHN-AVOUXACISA-N 2 1 278.465 3.662 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000646095330 1129522394 /nfs/dbraw/zinc/52/23/94/1129522394.db2.gz NNCMSCAETJISDQ-UHFFFAOYSA-N 2 1 289.810 3.514 20 0 CHADMP C[C@H]1CCC[C@](C[NH2+]C2CCC(F)(F)CC2)([NH+](C)C)C1 ZINC000647175126 1129554600 /nfs/dbraw/zinc/55/46/00/1129554600.db2.gz YYRRPAKOSSAHLE-ZFWWWQNUSA-N 2 1 288.426 3.664 20 0 CHADMP C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344161 1129572200 /nfs/dbraw/zinc/57/22/00/1129572200.db2.gz KQPICJIEHNJIBG-OQIJWPOYSA-N 2 1 286.463 3.500 20 0 CHADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344263 1129572308 /nfs/dbraw/zinc/57/23/08/1129572308.db2.gz MUEMHJTUBPZWMU-OQIJWPOYSA-N 2 1 286.463 3.500 20 0 CHADMP CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)o2)CC[C@@H]1[NH3+] ZINC000647497862 1129580379 /nfs/dbraw/zinc/58/03/79/1129580379.db2.gz YJUSKTJZPKYKIZ-PBHICJAKSA-N 2 1 284.403 3.506 20 0 CHADMP CCc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647542984 1129581233 /nfs/dbraw/zinc/58/12/33/1129581233.db2.gz FQUGLIGCALNKNU-LSDHHAIUSA-N 2 1 292.492 3.522 20 0 CHADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)CCc2ccccc21 ZINC000649833096 1129680466 /nfs/dbraw/zinc/68/04/66/1129680466.db2.gz FCQSEPLJPAFDMO-SJLPKXTDSA-N 2 1 286.463 3.523 20 0 CHADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)CCc2ccccc21 ZINC000649833096 1129680467 /nfs/dbraw/zinc/68/04/67/1129680467.db2.gz FCQSEPLJPAFDMO-SJLPKXTDSA-N 2 1 286.463 3.523 20 0 CHADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)CCc2ccccc21 ZINC000649833096 1129680470 /nfs/dbraw/zinc/68/04/70/1129680470.db2.gz FCQSEPLJPAFDMO-SJLPKXTDSA-N 2 1 286.463 3.523 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2)CCC[C@H]1C[NH3+] ZINC001205996191 1129687110 /nfs/dbraw/zinc/68/71/10/1129687110.db2.gz VWWBBTKPKBHJEB-BEFAXECRSA-N 2 1 282.431 3.647 20 0 CHADMP Cc1ncc2n1CC[N@@H+]([C@H](Cc1ccccc1)CC(C)C)C2 ZINC001169070423 1129695503 /nfs/dbraw/zinc/69/55/03/1129695503.db2.gz QGAKDFZXQWUQNX-SFHVURJKSA-N 2 1 297.446 3.665 20 0 CHADMP Cc1ncc2n1CC[N@H+]([C@H](Cc1ccccc1)CC(C)C)C2 ZINC001169070423 1129695506 /nfs/dbraw/zinc/69/55/06/1129695506.db2.gz QGAKDFZXQWUQNX-SFHVURJKSA-N 2 1 297.446 3.665 20 0 CHADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc2c(c1)CCCC2 ZINC001169096759 1129696533 /nfs/dbraw/zinc/69/65/33/1129696533.db2.gz YDUBVAJDMWOHFF-GAZPGATBSA-N 2 1 298.474 3.841 20 0 CHADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc12 ZINC001169099558 1129696559 /nfs/dbraw/zinc/69/65/59/1129696559.db2.gz BHLILDXPXRBRCS-NNZMDNLPSA-N 2 1 294.442 3.863 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@H]3CCCC[C@@H]31)C2 ZINC001169101678 1129697845 /nfs/dbraw/zinc/69/78/45/1129697845.db2.gz UZVHYHQZKHQFTI-LVZMMCSGSA-N 2 1 276.468 3.560 20 0 CHADMP CC(C)[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1F ZINC001169101180 1129697862 /nfs/dbraw/zinc/69/78/62/1129697862.db2.gz OQWYQXVDAAGYQS-ZXFNITATSA-N 2 1 290.426 3.738 20 0 CHADMP CCC1([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC(F)(F)CC1 ZINC001169117157 1129700401 /nfs/dbraw/zinc/70/04/01/1129700401.db2.gz WYFWHXPUKUSXEG-BTTYYORXSA-N 2 1 286.410 3.559 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(C)(C)c1ccc(Cl)cc1)C2 ZINC001169091877 1129700593 /nfs/dbraw/zinc/70/05/93/1129700593.db2.gz WSOXWPAHXRJELM-PHZGNYQRSA-N 2 1 292.854 3.790 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc3ccccc3s1)C2 ZINC001169091197 1129700626 /nfs/dbraw/zinc/70/06/26/1129700626.db2.gz PDXQRNGXWVBDJP-QKDCVEJESA-N 2 1 286.444 3.616 20 0 CHADMP CCCCC1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169129186 1129701297 /nfs/dbraw/zinc/70/12/97/1129701297.db2.gz HSJKROKBQDHXAF-BJWYYQGGSA-N 2 1 264.457 3.514 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2 ZINC001169124368 1129701515 /nfs/dbraw/zinc/70/15/15/1129701515.db2.gz QNLAMVSBSRTBSE-BMFAXAFESA-N 2 1 284.447 3.587 20 0 CHADMP Cc1ccccc1[C@H]1CCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169129870 1129701726 /nfs/dbraw/zinc/70/17/26/1129701726.db2.gz LEVBEMPRASBTCJ-SFNKJDCFSA-N 2 1 284.447 3.757 20 0 CHADMP Cc1ccccc1[C@H]1CCC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169129870 1129701729 /nfs/dbraw/zinc/70/17/29/1129701729.db2.gz LEVBEMPRASBTCJ-SFNKJDCFSA-N 2 1 284.447 3.757 20 0 CHADMP Cc1ccccc1[C@H]1CCC[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169129870 1129701731 /nfs/dbraw/zinc/70/17/31/1129701731.db2.gz LEVBEMPRASBTCJ-SFNKJDCFSA-N 2 1 284.447 3.757 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc3sccc31)C2 ZINC001169107879 1129703672 /nfs/dbraw/zinc/70/36/72/1129703672.db2.gz MAIWEVDDOFJLMQ-QDMKHBRRSA-N 2 1 286.444 3.616 20 0 CHADMP CC1(C)C[C@H](Nc2[nH+]ccc3cc[nH]c32)C[C@](C)(C[NH3+])C1 ZINC001169151233 1129705457 /nfs/dbraw/zinc/70/54/57/1129705457.db2.gz HFLSWSWGJIUSOQ-GUYCJALGSA-N 2 1 286.423 3.519 20 0 CHADMP CC1(C)C[C@H](Nc2ccc3[nH]c[nH+]c3c2)C[C@@](C)(C[NH3+])C1 ZINC001169152782 1129705512 /nfs/dbraw/zinc/70/55/12/1129705512.db2.gz QLDAUNXPDCTHNF-SUMWQHHRSA-N 2 1 286.423 3.519 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@@H](C(C)(C)C)CC2)CC1 ZINC001169244180 1129712414 /nfs/dbraw/zinc/71/24/14/1129712414.db2.gz GGMYKAHOGYFTNA-GASCZTMLSA-N 2 1 266.473 3.665 20 0 CHADMP C[N@H+](CC/C=C\c1ccccc1)CCC[NH+]1CCCC1 ZINC001169761259 1129755286 /nfs/dbraw/zinc/75/52/86/1129755286.db2.gz GLWZGICDZNJIHT-XGICHPGQSA-N 2 1 272.436 3.508 20 0 CHADMP Cc1ccc2c(C)cc(NCC34CC[NH+](CC3)CC4)[nH+]c2c1 ZINC001169794816 1129757135 /nfs/dbraw/zinc/75/71/35/1129757135.db2.gz XWUXZZZPRKMWJM-UHFFFAOYSA-N 2 1 295.430 3.749 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(C)(C)C1CC1 ZINC000653642435 1129790058 /nfs/dbraw/zinc/79/00/58/1129790058.db2.gz DYFBXEMTQUDSGJ-UHFFFAOYSA-N 2 1 291.483 3.984 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(C)(C)C1CC1 ZINC000653642435 1129790061 /nfs/dbraw/zinc/79/00/61/1129790061.db2.gz DYFBXEMTQUDSGJ-UHFFFAOYSA-N 2 1 291.483 3.984 20 0 CHADMP C[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768197667 1129844054 /nfs/dbraw/zinc/84/40/54/1129844054.db2.gz LEVRLTOJBBVJQJ-INIZCTEOSA-N 2 1 282.431 3.941 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3CC4CCC3CC4)C2)cc1 ZINC000381906264 1129853407 /nfs/dbraw/zinc/85/34/07/1129853407.db2.gz DZXPIJUQJPJMEM-MLFFRYNPSA-N 2 1 298.474 3.677 20 0 CHADMP CC(C)[NH+](CCC[NH2+][C@@H](c1ccccn1)C1CC1)C(C)C ZINC000903103831 1130112154 /nfs/dbraw/zinc/11/21/54/1130112154.db2.gz AQJHTHLCJBJROA-GOSISDBHSA-N 2 1 289.467 3.631 20 0 CHADMP C[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903159208 1130120693 /nfs/dbraw/zinc/12/06/93/1130120693.db2.gz XCHCLWURESMXLH-LSLVUIDQSA-N 2 1 276.468 3.703 20 0 CHADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1CC1(C)C ZINC000903190253 1130126604 /nfs/dbraw/zinc/12/66/04/1130126604.db2.gz RABMODWBKRCTFA-GARPMUOSSA-N 2 1 276.468 3.559 20 0 CHADMP c1ccc([C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C2CC2)nc1 ZINC000903339912 1130162076 /nfs/dbraw/zinc/16/20/76/1130162076.db2.gz OOLQNCZNMUVYSC-LJQANCHMSA-N 2 1 299.462 3.529 20 0 CHADMP CC(C)=CCC[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903383321 1130168828 /nfs/dbraw/zinc/16/88/28/1130168828.db2.gz LRLUGDFEYZPDOT-AEFFLSMTSA-N 2 1 289.467 3.799 20 0 CHADMP CCSc1ccccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903446241 1130177866 /nfs/dbraw/zinc/17/78/66/1130177866.db2.gz UWMFCLSXNDOASK-XYPWUTKMSA-N 2 1 290.476 3.513 20 0 CHADMP CCSc1ccccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903446241 1130177867 /nfs/dbraw/zinc/17/78/67/1130177867.db2.gz UWMFCLSXNDOASK-XYPWUTKMSA-N 2 1 290.476 3.513 20 0 CHADMP CC1(C)[C@H](c2ccccc2F)CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903475906 1130180529 /nfs/dbraw/zinc/18/05/29/1130180529.db2.gz HGPXCRCWVIQZHB-YCPHGPKFSA-N 2 1 290.426 3.521 20 0 CHADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2ccc3cc[nH]c3c2)CCC1 ZINC000903812611 1130201373 /nfs/dbraw/zinc/20/13/73/1130201373.db2.gz UTAOQWPOSUVUIQ-SFHVURJKSA-N 2 1 297.446 3.651 20 0 CHADMP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2ccc3cc[nH]c3c2)CCC1 ZINC000903812610 1130201563 /nfs/dbraw/zinc/20/15/63/1130201563.db2.gz UTAOQWPOSUVUIQ-GOSISDBHSA-N 2 1 297.446 3.651 20 0 CHADMP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903878386 1130207383 /nfs/dbraw/zinc/20/73/83/1130207383.db2.gz HZQYFQCTUOYNIJ-YTTRVJOFSA-N 2 1 298.430 3.956 20 0 CHADMP C[N@H+]1CCC[C@@H]([NH2+]C(C)(C)c2ccc(Cl)cc2)CC1 ZINC001254501764 1130255304 /nfs/dbraw/zinc/25/53/04/1130255304.db2.gz XKCYGIYEHBOALH-OAHLLOKOSA-N 2 1 280.843 3.649 20 0 CHADMP C[N@H+]1CCC[C@@H]([NH2+]CCCCCCCCCCC[NH3+])CC1 ZINC001254507391 1130257759 /nfs/dbraw/zinc/25/77/59/1130257759.db2.gz BDXHEOHUVDPPSQ-GOSISDBHSA-N 3 1 297.531 3.530 20 0 CHADMP CN1CCC[C@@H]([NH2+]CCCCCCCCCCC[NH3+])CC1 ZINC001254507391 1130257761 /nfs/dbraw/zinc/25/77/61/1130257761.db2.gz BDXHEOHUVDPPSQ-GOSISDBHSA-N 2 1 297.531 3.530 20 0 CHADMP C[C@H]1CC[C@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001170138958 1130317862 /nfs/dbraw/zinc/31/78/62/1130317862.db2.gz SBMWIPIMFJFFFE-RDJZCZTQSA-N 2 1 276.468 3.515 20 0 CHADMP Cc1ncc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)s1 ZINC000677754685 1130330152 /nfs/dbraw/zinc/33/01/52/1130330152.db2.gz AOYNGYUHWFLIKU-KGLIPLIRSA-N 2 1 295.496 3.757 20 0 CHADMP CC(C)[C@@H]1c2ccccc2CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000678077929 1130349162 /nfs/dbraw/zinc/34/91/62/1130349162.db2.gz MRSOQIQKVQAFQH-PKOBYXMFSA-N 2 1 286.463 3.726 20 0 CHADMP CC(C)[C@@H]1c2ccccc2CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000678077929 1130349169 /nfs/dbraw/zinc/34/91/69/1130349169.db2.gz MRSOQIQKVQAFQH-PKOBYXMFSA-N 2 1 286.463 3.726 20 0 CHADMP CC(C)[C@@H]1c2ccccc2CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000678077929 1130349172 /nfs/dbraw/zinc/34/91/72/1130349172.db2.gz MRSOQIQKVQAFQH-PKOBYXMFSA-N 2 1 286.463 3.726 20 0 CHADMP CC[N@@H+](CCc1ccccc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000678140892 1130360454 /nfs/dbraw/zinc/36/04/54/1130360454.db2.gz UNXUTIMOTZVQKF-UHFFFAOYSA-N 2 1 296.458 3.813 20 0 CHADMP CC(C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000678610115 1130442370 /nfs/dbraw/zinc/44/23/70/1130442370.db2.gz GHDAFUMVJWEOOM-SJORKVTESA-N 2 1 278.484 3.809 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000678776497 1130454060 /nfs/dbraw/zinc/45/40/60/1130454060.db2.gz GAJHQLLQWAQNMV-QZTJIDSGSA-N 2 1 272.436 3.602 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CC(C)(C)c2ccccc2)[C@@H](C)C1 ZINC000678835683 1130462608 /nfs/dbraw/zinc/46/26/08/1130462608.db2.gz NNEAJHDLKVSDGL-WMZOPIPTSA-N 2 1 288.479 3.626 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CC(C)(C)c2ccccc2)[C@@H](C)C1 ZINC000678835683 1130462612 /nfs/dbraw/zinc/46/26/12/1130462612.db2.gz NNEAJHDLKVSDGL-WMZOPIPTSA-N 2 1 288.479 3.626 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CC(C)(C)c2ccccc2)[C@@H](C)C1 ZINC000678835683 1130462614 /nfs/dbraw/zinc/46/26/14/1130462614.db2.gz NNEAJHDLKVSDGL-WMZOPIPTSA-N 2 1 288.479 3.626 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CC(C)(C)c2ccccc2)C[C@H]1C ZINC000678832540 1130462813 /nfs/dbraw/zinc/46/28/13/1130462813.db2.gz GCWPKRICWGAFNP-SJLPKXTDSA-N 2 1 288.479 3.769 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CC(C)(C)c2ccccc2)C[C@H]1C ZINC000678832540 1130462814 /nfs/dbraw/zinc/46/28/14/1130462814.db2.gz GCWPKRICWGAFNP-SJLPKXTDSA-N 2 1 288.479 3.769 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC(C)(C)c2ccccc2)C[C@H]1C ZINC000678832540 1130462815 /nfs/dbraw/zinc/46/28/15/1130462815.db2.gz GCWPKRICWGAFNP-SJLPKXTDSA-N 2 1 288.479 3.769 20 0 CHADMP C[C@@H](Cc1ccccc1Cl)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001170254008 1130473533 /nfs/dbraw/zinc/47/35/33/1130473533.db2.gz DJQWRZWLHPPVDK-JQFCIGGWSA-N 2 1 294.870 3.733 20 0 CHADMP C=Cc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001256562376 1130676442 /nfs/dbraw/zinc/67/64/42/1130676442.db2.gz SJJKNKVMSQVEDI-UHFFFAOYSA-N 2 1 272.436 3.682 20 0 CHADMP CC(C)=CCCC1=CC[C@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001234980548 1130701314 /nfs/dbraw/zinc/70/13/14/1130701314.db2.gz ZGCCOFPMQDOXCA-GBESFXJTSA-N 2 1 288.479 3.611 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234994227 1130701822 /nfs/dbraw/zinc/70/18/22/1130701822.db2.gz QIHIQJLUMKZUEK-ROUUACIJSA-N 2 1 278.484 3.835 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235039902 1130704472 /nfs/dbraw/zinc/70/44/72/1130704472.db2.gz JDCIVUFJSSVGOC-ROUUACIJSA-N 2 1 278.484 3.977 20 0 CHADMP c1ccc2cc(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)CC3)ccc2c1 ZINC001235039894 1130705755 /nfs/dbraw/zinc/70/57/55/1130705755.db2.gz JBEGMJPFUCBHOJ-FQEVSTJZSA-N 2 1 294.442 3.948 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)s1 ZINC001235094362 1130710837 /nfs/dbraw/zinc/71/08/37/1130710837.db2.gz YMLWJHNUGSGBAJ-UHFFFAOYSA-N 2 1 292.492 3.666 20 0 CHADMP CCC(C)(C)c1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC001235110644 1130712207 /nfs/dbraw/zinc/71/22/07/1130712207.db2.gz KWHSEGHWRAWFMB-UHFFFAOYSA-N 2 1 286.463 3.702 20 0 CHADMP c1cc2c(cccc2C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)[nH]1 ZINC001235151815 1130714937 /nfs/dbraw/zinc/71/49/37/1130714937.db2.gz BRISOGKXXWJFLL-LJQANCHMSA-N 2 1 297.446 3.522 20 0 CHADMP CCc1cccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235162417 1130715632 /nfs/dbraw/zinc/71/56/32/1130715632.db2.gz VEFWCRJKESDDFE-IBGZPJMESA-N 2 1 286.463 3.603 20 0 CHADMP Cc1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(C)s1 ZINC001235155452 1130715903 /nfs/dbraw/zinc/71/59/03/1130715903.db2.gz OPDBISZCZQKBLD-QGZVFWFLSA-N 2 1 292.492 3.719 20 0 CHADMP Cc1ccc2c(C[N@@H+]3CCCC[C@]34CCC[NH2+]C4)c[nH]c2c1 ZINC001235172969 1130717201 /nfs/dbraw/zinc/71/72/01/1130717201.db2.gz NYPUSYJDFJHSQI-LJQANCHMSA-N 2 1 297.446 3.584 20 0 CHADMP Cc1ccc2c(C[N@H+]3CCCC[C@]34CCC[NH2+]C4)c[nH]c2c1 ZINC001235172969 1130717206 /nfs/dbraw/zinc/71/72/06/1130717206.db2.gz NYPUSYJDFJHSQI-LJQANCHMSA-N 2 1 297.446 3.584 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc[nH]1 ZINC000781515910 1130722427 /nfs/dbraw/zinc/72/24/27/1130722427.db2.gz AVYONHUWZKGVCK-SOLBZPMBSA-N 2 1 297.446 3.718 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc[nH]1 ZINC000781515910 1130722434 /nfs/dbraw/zinc/72/24/34/1130722434.db2.gz AVYONHUWZKGVCK-SOLBZPMBSA-N 2 1 297.446 3.718 20 0 CHADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(-c3cccs3)cc1)C2 ZINC001235245434 1130728395 /nfs/dbraw/zinc/72/83/95/1130728395.db2.gz MFWCLXKXNSSSKW-SJLPKXTDSA-N 2 1 298.455 3.728 20 0 CHADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(-c3cccs3)cc1)C2 ZINC001235245434 1130728399 /nfs/dbraw/zinc/72/83/99/1130728399.db2.gz MFWCLXKXNSSSKW-SJLPKXTDSA-N 2 1 298.455 3.728 20 0 CHADMP CCCCCCc1csc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])c1 ZINC001235257701 1130729666 /nfs/dbraw/zinc/72/96/66/1130729666.db2.gz ZWSXIRKPQBGTBZ-ZOBUZTSGSA-N 2 1 292.492 3.792 20 0 CHADMP c1csc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)c1 ZINC001235264728 1130730030 /nfs/dbraw/zinc/73/00/30/1130730030.db2.gz ARTXYZHMOQTARL-IAGOWNOFSA-N 2 1 298.455 3.599 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC001235275486 1130731165 /nfs/dbraw/zinc/73/11/65/1130731165.db2.gz WXEUSIZMKWBGRY-FUHWJXTLSA-N 2 1 286.463 3.558 20 0 CHADMP CC/C=C\CCCCC[N@H+]1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001235398665 1130739664 /nfs/dbraw/zinc/73/96/64/1130739664.db2.gz WWARKGADRJOZIQ-JGPFYOFESA-N 2 1 282.447 3.522 20 0 CHADMP C[C@H](C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC001235422584 1130741735 /nfs/dbraw/zinc/74/17/35/1130741735.db2.gz CTKNXKAOZIEMOO-NEWSRXKRSA-N 2 1 286.463 3.502 20 0 CHADMP Cc1cc(C)cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235426233 1130742174 /nfs/dbraw/zinc/74/21/74/1130742174.db2.gz NZZUUCZRAGJTCE-OALUTQOASA-N 2 1 286.463 3.515 20 0 CHADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC001235425699 1130742696 /nfs/dbraw/zinc/74/26/96/1130742696.db2.gz MMQDPKIKXMJAFR-VJANTYMQSA-N 2 1 290.495 3.690 20 0 CHADMP Cc1ccccc1[C@@H]1CCC[N@H+]1CC1(C)CC[NH2+]CC1 ZINC001235439086 1130742984 /nfs/dbraw/zinc/74/29/84/1130742984.db2.gz AYVOBDIFRLNTOL-KRWDZBQOSA-N 2 1 272.436 3.522 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235433431 1130743069 /nfs/dbraw/zinc/74/30/69/1130743069.db2.gz HRMBMQHNWQPUSP-UHFFFAOYSA-N 2 1 288.460 3.641 20 0 CHADMP C[N@@H+](Cc1ccc(C[NH3+])cc1)Cc1cccc2ccccc21 ZINC001235663160 1130762235 /nfs/dbraw/zinc/76/22/35/1130762235.db2.gz RMMCMACMTJJRBU-UHFFFAOYSA-N 2 1 290.410 3.931 20 0 CHADMP C[N@@H+](CC[C@@H]1CCCC[NH2+]1)Cc1cccc2ccccc21 ZINC001235662507 1130762740 /nfs/dbraw/zinc/76/27/40/1130762740.db2.gz IPGZRDNVIPQCSK-SFHVURJKSA-N 2 1 282.431 3.804 20 0 CHADMP CCC[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235663927 1130764001 /nfs/dbraw/zinc/76/40/01/1130764001.db2.gz YIYRJFSUTNQDIK-UHFFFAOYSA-N 2 1 294.442 3.745 20 0 CHADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cccc(-c3ccsc3)c2)C1 ZINC001235672297 1130764086 /nfs/dbraw/zinc/76/40/86/1130764086.db2.gz AEQCMLQUJXMRGN-OAHLLOKOSA-N 2 1 286.444 3.586 20 0 CHADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC001235672848 1130764434 /nfs/dbraw/zinc/76/44/34/1130764434.db2.gz IOGXCQBDFKJLAE-WMZOPIPTSA-N 2 1 288.479 3.659 20 0 CHADMP Fc1ccccc1[C@H]1CCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001235677061 1130765591 /nfs/dbraw/zinc/76/55/91/1130765591.db2.gz FMLDSOUCCRCMRF-GOSISDBHSA-N 2 1 290.426 3.742 20 0 CHADMP Cc1c(C[N@H+]2CCC[C@@H](C[NH3+])C2)cccc1-c1ccccc1 ZINC001235677049 1130766265 /nfs/dbraw/zinc/76/62/65/1130766265.db2.gz WLQVLEYQYJIEFE-KRWDZBQOSA-N 2 1 294.442 3.833 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235717777 1130771291 /nfs/dbraw/zinc/77/12/91/1130771291.db2.gz MHKMOXCAQRTHSD-UHFFFAOYSA-N 2 1 294.870 3.778 20 0 CHADMP CC1=CC[C@H](CC[N@H+](C)CCC2CC[NH2+]CC2)C1(C)C ZINC001235715177 1130772011 /nfs/dbraw/zinc/77/20/11/1130772011.db2.gz QVWYAICTONQQIF-QGZVFWFLSA-N 2 1 278.484 3.690 20 0 CHADMP C[N@@H+](CCCCCc1ccccc1)CCC1CC[NH2+]CC1 ZINC001235715800 1130772069 /nfs/dbraw/zinc/77/20/69/1130772069.db2.gz XFYKSEYQTQCQDG-UHFFFAOYSA-N 2 1 288.479 3.721 20 0 CHADMP CC[N@@H+](Cc1ccc(C(C)(C)CC)cc1)C1CC[NH2+]CC1 ZINC001235760797 1130776442 /nfs/dbraw/zinc/77/64/42/1130776442.db2.gz KVXBFJXHUPGALB-UHFFFAOYSA-N 2 1 288.479 3.948 20 0 CHADMP CC[N@@H+](Cc1cccc2c(F)cccc12)C1CC[NH2+]CC1 ZINC001235764833 1130778942 /nfs/dbraw/zinc/77/89/42/1130778942.db2.gz KPBGJBQHLSRMTQ-UHFFFAOYSA-N 2 1 286.394 3.553 20 0 CHADMP CCC(C)(C)c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)cc1 ZINC001235808739 1130782422 /nfs/dbraw/zinc/78/24/22/1130782422.db2.gz GAZGMHGVSKIJCC-BCDXTJNWSA-N 2 1 286.463 3.828 20 0 CHADMP Clc1ccccc1[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001235826879 1130784172 /nfs/dbraw/zinc/78/41/72/1130784172.db2.gz FBLDPBHXNFZTIU-HUUCEWRRSA-N 2 1 292.854 3.519 20 0 CHADMP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813790746 1130785051 /nfs/dbraw/zinc/78/50/51/1130785051.db2.gz WHDRTPUKMXGTCQ-YQQQUEKLSA-N 2 1 286.463 3.818 20 0 CHADMP C[N@H+](Cc1c2ccccc2[nH]c1C(C)(C)C)C[C@@H]1CC[NH2+]C1 ZINC001235842001 1130786947 /nfs/dbraw/zinc/78/69/47/1130786947.db2.gz LNTUFZQHGXPIEF-CQSZACIVSA-N 2 1 299.462 3.507 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3C[C@@H]([NH3+])CC[C@@H]3C)cc2)c1 ZINC001235902466 1130800940 /nfs/dbraw/zinc/80/09/40/1130800940.db2.gz GRVFMOQYQGTBKJ-JXFKEZNVSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1cccc(-c2ccc(C[N@@H+]3C[C@@H]([NH3+])CC[C@@H]3C)cc2)c1 ZINC001235902466 1130800950 /nfs/dbraw/zinc/80/09/50/1130800950.db2.gz GRVFMOQYQGTBKJ-JXFKEZNVSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+]1C[C@@H]([NH3+])CC[C@@H]1C ZINC001235909079 1130804384 /nfs/dbraw/zinc/80/43/84/1130804384.db2.gz YYANAFZMSUYUKS-AAEUAGOBSA-N 2 1 274.433 3.521 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+]1C[C@@H]([NH3+])CC[C@@H]1C ZINC001235909079 1130804392 /nfs/dbraw/zinc/80/43/92/1130804392.db2.gz YYANAFZMSUYUKS-AAEUAGOBSA-N 2 1 274.433 3.521 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235925754 1130806333 /nfs/dbraw/zinc/80/63/33/1130806333.db2.gz ZLYXPFZVVZYHEV-ZDUSSCGKSA-N 2 1 274.433 3.523 20 0 CHADMP Cc1cc(Cl)c(Cl)cc1C[N@@H+]1CCC[C@H]1CC[NH3+] ZINC001235925349 1130806481 /nfs/dbraw/zinc/80/64/81/1130806481.db2.gz IWFQTXQZASXCOI-LBPRGKRZSA-N 2 1 287.234 3.615 20 0 CHADMP Cc1cc(Cl)c(Cl)cc1C[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235925349 1130806489 /nfs/dbraw/zinc/80/64/89/1130806489.db2.gz IWFQTXQZASXCOI-LBPRGKRZSA-N 2 1 287.234 3.615 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000783244027 1130807123 /nfs/dbraw/zinc/80/71/23/1130807123.db2.gz RJQZFVFOAAQQBE-NYTXWWLZSA-N 2 1 278.465 3.519 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000783244027 1130807131 /nfs/dbraw/zinc/80/71/31/1130807131.db2.gz RJQZFVFOAAQQBE-NYTXWWLZSA-N 2 1 278.465 3.519 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000783262927 1130808512 /nfs/dbraw/zinc/80/85/12/1130808512.db2.gz FCTFAFHKSHUODU-FPAYPSAMSA-N 2 1 286.463 3.675 20 0 CHADMP c1cc(C2CCCCC2)ccc1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235934787 1130810766 /nfs/dbraw/zinc/81/07/66/1130810766.db2.gz ALEYGGSCMXRREM-WOJBJXKFSA-N 2 1 298.474 3.776 20 0 CHADMP CC1(C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CC[NH2+]CC1 ZINC001235948411 1130813483 /nfs/dbraw/zinc/81/34/83/1130813483.db2.gz RYTGFVHVPWPESJ-HNNXBMFYSA-N 2 1 292.854 3.519 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235950629 1130815733 /nfs/dbraw/zinc/81/57/33/1130815733.db2.gz JFRNHDDLAFNRNI-AWEZNQCLSA-N 2 1 288.460 3.641 20 0 CHADMP Cc1c(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cccc1-c1ccccc1 ZINC001235990948 1130824464 /nfs/dbraw/zinc/82/44/64/1130824464.db2.gz NLKVRGQLEHUKSJ-AZUAARDMSA-N 2 1 292.426 3.585 20 0 CHADMP Cc1c(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cccc1-c1ccccc1 ZINC001235990948 1130824470 /nfs/dbraw/zinc/82/44/70/1130824470.db2.gz NLKVRGQLEHUKSJ-AZUAARDMSA-N 2 1 292.426 3.585 20 0 CHADMP C[C@H]1C[C@@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000814173047 1130833274 /nfs/dbraw/zinc/83/32/74/1130833274.db2.gz HFFCJWOIHJGZHJ-NTHMGXEOSA-N 2 1 298.474 3.818 20 0 CHADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC001236044878 1130838116 /nfs/dbraw/zinc/83/81/16/1130838116.db2.gz AQXQNHUZUPZECV-UKRRQHHQSA-N 2 1 294.398 3.755 20 0 CHADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC001236044878 1130838121 /nfs/dbraw/zinc/83/81/21/1130838121.db2.gz AQXQNHUZUPZECV-UKRRQHHQSA-N 2 1 294.398 3.755 20 0 CHADMP CC[C@@H]1c2ccccc2CC[N@@H+]1CC[C@H]1CCCC[NH2+]1 ZINC001236061475 1130843073 /nfs/dbraw/zinc/84/30/73/1130843073.db2.gz XUHWEDAFSDBGPN-SJLPKXTDSA-N 2 1 272.436 3.528 20 0 CHADMP CC1(C)C[N@@H+](CC2CC3(C2)CC[NH2+]CC3)Cc2ccccc21 ZINC001236084486 1130852750 /nfs/dbraw/zinc/85/27/50/1130852750.db2.gz AHIVPINDZILWLO-UHFFFAOYSA-N 2 1 298.474 3.560 20 0 CHADMP CC1(C)[C@@H]2C[C@@H]([N@@H+](C3CCCC3)[C@H]3CC[C@H]([NH3+])CC3)C[C@@H]21 ZINC001170737249 1130859026 /nfs/dbraw/zinc/85/90/26/1130859026.db2.gz WWAVYOZLSNLGFH-UBUGQBQBSA-N 2 1 290.495 3.936 20 0 CHADMP CC1(C)[C@@H]2C[C@H]([N@@H+](C3CCCC3)[C@H]3CC[C@H]([NH3+])CC3)C[C@@H]21 ZINC001170737248 1130859359 /nfs/dbraw/zinc/85/93/59/1130859359.db2.gz WWAVYOZLSNLGFH-FIIAMQOCSA-N 2 1 290.495 3.936 20 0 CHADMP CC1(C)[C@@H]2C[C@H]([N@@H+](C3CCC3)[C@H]3CC[C@H]([NH3+])CC3)C[C@@H]21 ZINC001170740114 1130860959 /nfs/dbraw/zinc/86/09/59/1130860959.db2.gz UPYHJDAFHJAZBL-MDWSFGPVSA-N 2 1 276.468 3.545 20 0 CHADMP C[N@H+](Cc1ccccc1-c1ccccc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236205820 1130886125 /nfs/dbraw/zinc/88/61/25/1130886125.db2.gz HCDBSGBTGKVJMO-FQEVSTJZSA-N 2 1 294.442 3.928 20 0 CHADMP C[N@@H+](Cc1ccccc1-c1ccccc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236205820 1130886128 /nfs/dbraw/zinc/88/61/28/1130886128.db2.gz HCDBSGBTGKVJMO-FQEVSTJZSA-N 2 1 294.442 3.928 20 0 CHADMP Cc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c2ccccc12 ZINC001236211967 1130887541 /nfs/dbraw/zinc/88/75/41/1130887541.db2.gz KMBXCXBUBOCCIA-OALUTQOASA-N 2 1 282.431 3.850 20 0 CHADMP CCCCOc1cccc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC001236214197 1130889149 /nfs/dbraw/zinc/88/91/49/1130889149.db2.gz CRLRAHGUOPXRIP-QZTJIDSGSA-N 2 1 290.451 3.567 20 0 CHADMP CCCCOc1cccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC001236214197 1130889154 /nfs/dbraw/zinc/88/91/54/1130889154.db2.gz CRLRAHGUOPXRIP-QZTJIDSGSA-N 2 1 290.451 3.567 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2cccc(C)c2Cl)CC1 ZINC001236214429 1130890720 /nfs/dbraw/zinc/89/07/20/1130890720.db2.gz DYCOEFGARUFCLW-UHFFFAOYSA-N 2 1 280.843 3.611 20 0 CHADMP COc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1C(C)C ZINC001236214832 1130891568 /nfs/dbraw/zinc/89/15/68/1130891568.db2.gz FQMMRMFNVXNEFR-SJORKVTESA-N 2 1 290.451 3.520 20 0 CHADMP COc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1C(C)C ZINC001236214832 1130891575 /nfs/dbraw/zinc/89/15/75/1130891575.db2.gz FQMMRMFNVXNEFR-SJORKVTESA-N 2 1 290.451 3.520 20 0 CHADMP CC(C)Cc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236218025 1130894152 /nfs/dbraw/zinc/89/41/52/1130894152.db2.gz RANWRIJYTBYGOH-MSOLQXFVSA-N 2 1 274.452 3.587 20 0 CHADMP CC(C)Cc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236218025 1130894156 /nfs/dbraw/zinc/89/41/56/1130894156.db2.gz RANWRIJYTBYGOH-MSOLQXFVSA-N 2 1 274.452 3.587 20 0 CHADMP C[N@H+](Cc1cccc(OC(C)(C)C)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215917 1130894279 /nfs/dbraw/zinc/89/42/79/1130894279.db2.gz IUKWJCUKAUTRPA-IRXDYDNUSA-N 2 1 290.451 3.566 20 0 CHADMP C[N@@H+](Cc1cccc(OC(C)(C)C)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215917 1130894283 /nfs/dbraw/zinc/89/42/83/1130894283.db2.gz IUKWJCUKAUTRPA-IRXDYDNUSA-N 2 1 290.451 3.566 20 0 CHADMP C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1(C)CC[NH2+]CC1 ZINC001236223321 1130897234 /nfs/dbraw/zinc/89/72/34/1130897234.db2.gz MQFPDFBRVKNPKB-UHFFFAOYSA-N 2 1 287.234 3.567 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CC[C@H](Sc2ccc(F)cc2)C1 ZINC001236224078 1130897339 /nfs/dbraw/zinc/89/73/39/1130897339.db2.gz SAPSANPOYSYFGB-INIZCTEOSA-N 2 1 296.455 3.511 20 0 CHADMP CC/C=C\CC[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236288148 1130910995 /nfs/dbraw/zinc/91/09/95/1130910995.db2.gz WKBYIPIIUKFZIT-ARJAWSKDSA-N 2 1 272.436 3.597 20 0 CHADMP Cc1ccsc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373887 1130923353 /nfs/dbraw/zinc/92/33/53/1130923353.db2.gz MYQRYKFCZPYFNH-HNNXBMFYSA-N 2 1 292.492 3.801 20 0 CHADMP Fc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC001236373710 1130923712 /nfs/dbraw/zinc/92/37/12/1130923712.db2.gz JYPFZQCCUAJTKX-INIZCTEOSA-N 2 1 290.426 3.570 20 0 CHADMP Fc1ccc(C[N@H+](CC2CCCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236388107 1130925761 /nfs/dbraw/zinc/92/57/61/1130925761.db2.gz HWRNMXJNVGPMNR-GOSISDBHSA-N 2 1 290.426 3.570 20 0 CHADMP Fc1ccc(C[N@@H+](CC2CCCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236388107 1130925766 /nfs/dbraw/zinc/92/57/66/1130925766.db2.gz HWRNMXJNVGPMNR-GOSISDBHSA-N 2 1 290.426 3.570 20 0 CHADMP CCCCCC[N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236400322 1130927816 /nfs/dbraw/zinc/92/78/16/1130927816.db2.gz BNCPOLHOLUXEII-UHFFFAOYSA-N 2 1 292.442 3.960 20 0 CHADMP CC[N@@H+](CC[C@H](C)CCCC(C)(C)OC)C[C@H]1CC[NH2+]C1 ZINC001236407105 1130931068 /nfs/dbraw/zinc/93/10/68/1130931068.db2.gz BMMIOOGOUMGRMP-SJORKVTESA-N 2 1 298.515 3.539 20 0 CHADMP CCCCc1ccc(C[N@@H+](CC)C[C@@H]2CC[NH2+]C2)s1 ZINC001236407481 1130931541 /nfs/dbraw/zinc/93/15/41/1130931541.db2.gz GBEZKDQKAYVADA-CQSZACIVSA-N 2 1 280.481 3.522 20 0 CHADMP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001236421374 1130936524 /nfs/dbraw/zinc/93/65/24/1130936524.db2.gz QJVFUBHVVXNQDS-KUHUBIRLSA-N 2 1 298.405 3.804 20 0 CHADMP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001236421374 1130936526 /nfs/dbraw/zinc/93/65/26/1130936526.db2.gz QJVFUBHVVXNQDS-KUHUBIRLSA-N 2 1 298.405 3.804 20 0 CHADMP Cc1cccc(C)c1C[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236458167 1130946667 /nfs/dbraw/zinc/94/66/67/1130946667.db2.gz RVXJWLMSKFHSHY-UHFFFAOYSA-N 2 1 288.479 3.904 20 0 CHADMP CC(C)(C)C[N@@H+](Cc1cc(F)cc(F)c1)C1CC[NH2+]CC1 ZINC001236457675 1130946741 /nfs/dbraw/zinc/94/67/41/1130946741.db2.gz MRXOCIMTQWFVLW-UHFFFAOYSA-N 2 1 296.405 3.565 20 0 CHADMP CC(C)(C)C[N@@H+](Cc1c[nH]c2ccccc12)C1CC[NH2+]CC1 ZINC001236457717 1130946773 /nfs/dbraw/zinc/94/67/73/1130946773.db2.gz NDNSBPYHWXKIMK-UHFFFAOYSA-N 2 1 299.462 3.768 20 0 CHADMP Cc1ccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c(C)c1 ZINC001236456848 1130947163 /nfs/dbraw/zinc/94/71/63/1130947163.db2.gz HJAWZCYCNRMUPZ-UHFFFAOYSA-N 2 1 288.479 3.904 20 0 CHADMP CCCCC[N@@H+](Cc1ccc(F)cc1C)C1CC[NH2+]CC1 ZINC001236516772 1130961672 /nfs/dbraw/zinc/96/16/72/1130961672.db2.gz IGRBFQGAXLQMHO-UHFFFAOYSA-N 2 1 292.442 3.878 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000797116421 1130962717 /nfs/dbraw/zinc/96/27/17/1130962717.db2.gz SGEOWHXQDXOFDP-RUXDESIVSA-N 2 1 292.389 3.572 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000797116421 1130962722 /nfs/dbraw/zinc/96/27/22/1130962722.db2.gz SGEOWHXQDXOFDP-RUXDESIVSA-N 2 1 292.389 3.572 20 0 CHADMP Cc1cccc(C[N@@H+](CCC2CC[NH2+]CC2)C2CC2)c1C ZINC001236533705 1130967628 /nfs/dbraw/zinc/96/76/28/1130967628.db2.gz YRLAYMDWURYYFX-UHFFFAOYSA-N 2 1 286.463 3.658 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCC2)CC2CCCCC2)CC1 ZINC001236542394 1130969314 /nfs/dbraw/zinc/96/93/14/1130969314.db2.gz VFQOBWHSIYKWJD-IYARVYRRSA-N 2 1 278.484 3.939 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCC2)C[C@@H]2CC=CCC2)CC1 ZINC001236539853 1130969324 /nfs/dbraw/zinc/96/93/24/1130969324.db2.gz BTDZIVPQHOVXQS-KBAYOESNSA-N 2 1 276.468 3.715 20 0 CHADMP CCC(CC)[N@H+](C[C@H](C)CC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236783777 1131005269 /nfs/dbraw/zinc/00/52/69/1131005269.db2.gz ZJFPYFBUPHQSKX-IIAWOOMASA-N 2 1 254.462 3.793 20 0 CHADMP Cc1ccc(C[N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c(F)c1 ZINC001236551048 1130972942 /nfs/dbraw/zinc/97/29/42/1130972942.db2.gz KLMHNSSVHPOZBR-QAQDUYKDSA-N 2 1 292.442 3.862 20 0 CHADMP Cc1ccc(C[N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236551237 1130973241 /nfs/dbraw/zinc/97/32/41/1130973241.db2.gz PDGOGSFFFVAOLH-IYARVYRRSA-N 2 1 274.452 3.723 20 0 CHADMP Cc1ccc(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1F ZINC001236551743 1130973552 /nfs/dbraw/zinc/97/35/52/1130973552.db2.gz MOUJCTOTIQTZKX-QAQDUYKDSA-N 2 1 290.426 3.616 20 0 CHADMP CC(C)C[N@@H+](CCC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550265 1130973837 /nfs/dbraw/zinc/97/38/37/1130973837.db2.gz JZTMWBGCLLOALI-QAQDUYKDSA-N 2 1 266.473 3.795 20 0 CHADMP CCc1cccc(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236551838 1130973966 /nfs/dbraw/zinc/97/39/66/1130973966.db2.gz MFAHNCCOXPORDN-WGSAOQKQSA-N 2 1 288.479 3.977 20 0 CHADMP CCCC[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236565930 1130976824 /nfs/dbraw/zinc/97/68/24/1130976824.db2.gz SCWIROHDIIYGTR-KOMQPUFPSA-N 2 1 252.446 3.691 20 0 CHADMP CCc1ccccc1C[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236573025 1130977933 /nfs/dbraw/zinc/97/79/33/1130977933.db2.gz UDVUMMOPLDQLQS-UAPYVXQJSA-N 2 1 286.463 3.873 20 0 CHADMP C[C@H](C[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1)c1ccccc1 ZINC001236572866 1130978815 /nfs/dbraw/zinc/97/88/15/1130978815.db2.gz VSHGGYYCOAFYSN-SZVBFZGTSA-N 2 1 286.463 3.915 20 0 CHADMP C[C@H](CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1)CC(C)(C)C ZINC001236584550 1130980268 /nfs/dbraw/zinc/98/02/68/1130980268.db2.gz LURVNLRTXIGCKM-HZPDHXFCSA-N 2 1 280.500 3.913 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC001236604795 1130984252 /nfs/dbraw/zinc/98/42/52/1130984252.db2.gz OBCQFFDQMYKPKV-YIEVGGLXSA-N 2 1 252.446 3.574 20 0 CHADMP c1ccc(C2CC2)c(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c1 ZINC001236634353 1130986741 /nfs/dbraw/zinc/98/67/41/1130986741.db2.gz RYFUTLMAPZUVKH-UHFFFAOYSA-N 2 1 284.447 3.671 20 0 CHADMP CCc1cccc(C)c1C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236637113 1130987709 /nfs/dbraw/zinc/98/77/09/1130987709.db2.gz MPDAHBHGHSSWSC-UHFFFAOYSA-N 2 1 286.463 3.664 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc2sccc21 ZINC001236681887 1130992798 /nfs/dbraw/zinc/99/27/98/1130992798.db2.gz IUYWUCHHUQDBQB-UHFFFAOYSA-N 2 1 276.449 3.675 20 0 CHADMP C[C@H]1C[C@H]1C[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236741295 1131003409 /nfs/dbraw/zinc/00/34/09/1131003409.db2.gz DHNQZHGIYBUUDF-IKICRFKJSA-N 2 1 290.426 3.554 20 0 CHADMP CCC[N@H+](Cc1cccc(C(C)(C)C)c1)C[C@H]1CC[NH2+]C1 ZINC001236836822 1131020045 /nfs/dbraw/zinc/02/00/45/1131020045.db2.gz YGSGQHVUFXFLPG-KRWDZBQOSA-N 2 1 288.479 3.806 20 0 CHADMP CCC[N@@H+](Cc1c(C)cc(F)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236843331 1131021313 /nfs/dbraw/zinc/02/13/13/1131021313.db2.gz HVBJYMLGYQQHIG-ZDUSSCGKSA-N 2 1 298.833 3.609 20 0 CHADMP CCC[N@H+](Cc1c(C)cc(F)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236843331 1131021319 /nfs/dbraw/zinc/02/13/19/1131021319.db2.gz HVBJYMLGYQQHIG-ZDUSSCGKSA-N 2 1 298.833 3.609 20 0 CHADMP CCC[N@H+](Cc1ccc(F)c(C2CC2)c1)C[C@@H]1CC[NH2+]C1 ZINC001236843540 1131021774 /nfs/dbraw/zinc/02/17/74/1131021774.db2.gz JSGNCSLJVSACJF-OAHLLOKOSA-N 2 1 290.426 3.525 20 0 CHADMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c1 ZINC001237058600 1131042469 /nfs/dbraw/zinc/04/24/69/1131042469.db2.gz QPZPSQXCIKTHPG-GOSISDBHSA-N 2 1 274.452 3.545 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC001206084905 1131079972 /nfs/dbraw/zinc/07/99/72/1131079972.db2.gz QMKNOEDNWJDZJS-SOUVJXGZSA-N 2 1 254.462 3.521 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC001206084905 1131079978 /nfs/dbraw/zinc/07/99/78/1131079978.db2.gz QMKNOEDNWJDZJS-SOUVJXGZSA-N 2 1 254.462 3.521 20 0 CHADMP c1ccc2cc(C[N@H+](C3CCC3)[C@H]3CCC[NH2+]C3)ccc2c1 ZINC001237146747 1131057601 /nfs/dbraw/zinc/05/76/01/1131057601.db2.gz VFKFWUWGJFMCRX-FQEVSTJZSA-N 2 1 294.442 3.946 20 0 CHADMP c1ccc2cc(C[N@@H+](C3CCC3)[C@H]3CCC[NH2+]C3)ccc2c1 ZINC001237146747 1131057607 /nfs/dbraw/zinc/05/76/07/1131057607.db2.gz VFKFWUWGJFMCRX-FQEVSTJZSA-N 2 1 294.442 3.946 20 0 CHADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798956970 1131064634 /nfs/dbraw/zinc/06/46/34/1131064634.db2.gz SCCZZCFTCWPSKB-IAGOWNOFSA-N 2 1 278.484 3.621 20 0 CHADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1cccc2c3ccccc3oc21 ZINC001237203315 1131070311 /nfs/dbraw/zinc/07/03/11/1131070311.db2.gz CTMBDBAUICSCJK-OCCSQVGLSA-N 2 1 280.371 3.508 20 0 CHADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1cccc2c3ccccc3oc21 ZINC001237203315 1131070318 /nfs/dbraw/zinc/07/03/18/1131070318.db2.gz CTMBDBAUICSCJK-OCCSQVGLSA-N 2 1 280.371 3.508 20 0 CHADMP CCc1ccccc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177556 1131074402 /nfs/dbraw/zinc/07/44/02/1131074402.db2.gz UPIMONILDGCKLG-UHFFFAOYSA-N 2 1 286.463 3.557 20 0 CHADMP c1ccc2c(c1)CC[NH2+]C21CC[NH+](CC2CCCCC2)CC1 ZINC001237276308 1131077503 /nfs/dbraw/zinc/07/75/03/1131077503.db2.gz VCWDLHHRDHMLDG-UHFFFAOYSA-N 2 1 298.474 3.704 20 0 CHADMP CCC[C@@H](C)C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237277235 1131077706 /nfs/dbraw/zinc/07/77/06/1131077706.db2.gz XUNNMPPBLANYGE-MRXNPFEDSA-N 2 1 286.463 3.560 20 0 CHADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1(c2ccccc2)CCCC1 ZINC001278102128 1131102650 /nfs/dbraw/zinc/10/26/50/1131102650.db2.gz UFDFUZOPDDBEJH-YQQQUEKLSA-N 2 1 298.474 3.713 20 0 CHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCCC34CC4)cc21 ZINC001237881890 1131148353 /nfs/dbraw/zinc/14/83/53/1131148353.db2.gz YWHSBJIOZAHENH-UHFFFAOYSA-N 2 1 282.431 3.816 20 0 CHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@H]4CC[C@@H]3C4)cc21 ZINC001237886490 1131148385 /nfs/dbraw/zinc/14/83/85/1131148385.db2.gz OATLSZCMWMBZLA-WMLDXEAASA-N 2 1 282.431 3.672 20 0 CHADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3C[C@H](F)C[C@H]3C)cc21 ZINC001237881438 1131148600 /nfs/dbraw/zinc/14/86/00/1131148600.db2.gz RJNDNCUYXQSFFX-CZUORRHYSA-N 2 1 288.410 3.620 20 0 CHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@H](F)C[C@H]3C)cc21 ZINC001237881438 1131148603 /nfs/dbraw/zinc/14/86/03/1131148603.db2.gz RJNDNCUYXQSFFX-CZUORRHYSA-N 2 1 288.410 3.620 20 0 CHADMP c1[nH+]cn2c1cccc2C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC001238110915 1131172632 /nfs/dbraw/zinc/17/26/32/1131172632.db2.gz PMKLPFVCQGXQDV-KRWDZBQOSA-N 2 1 291.398 3.714 20 0 CHADMP c1[nH+]cn2c1cccc2C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC001238110915 1131172634 /nfs/dbraw/zinc/17/26/34/1131172634.db2.gz PMKLPFVCQGXQDV-KRWDZBQOSA-N 2 1 291.398 3.714 20 0 CHADMP CCCCCC(C)(C)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000817897843 1131186854 /nfs/dbraw/zinc/18/68/54/1131186854.db2.gz CFRDGOXOXWRYEU-CYBMUJFWSA-N 2 1 263.429 3.751 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccccc2Cl)C1 ZINC001117639460 1131189958 /nfs/dbraw/zinc/18/99/58/1131189958.db2.gz HTGVJGDJBWJOCD-HUUCEWRRSA-N 2 1 294.870 3.591 20 0 CHADMP CC[N@H+]1CCC[C@@H](CN[C@@H](C)c2nccc3ccccc32)C1 ZINC001117671528 1131191192 /nfs/dbraw/zinc/19/11/92/1131191192.db2.gz KASHBMGUUJBNRT-HOTGVXAUSA-N 2 1 297.446 3.617 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2nccc3ccccc32)C1 ZINC001117671528 1131191197 /nfs/dbraw/zinc/19/11/97/1131191197.db2.gz KASHBMGUUJBNRT-HOTGVXAUSA-N 2 1 297.446 3.617 20 0 CHADMP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC001118018336 1131207946 /nfs/dbraw/zinc/20/79/46/1131207946.db2.gz GYKXQJVTBZNJHU-GFCCVEGCSA-N 2 1 292.810 3.688 20 0 CHADMP CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)C1CCCC1 ZINC000823737033 1131439502 /nfs/dbraw/zinc/43/95/02/1131439502.db2.gz RIKNENXSFVRYOG-WBVHZDCISA-N 2 1 266.473 3.667 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[NH2+][C@@H]1C[NH2+]CCC1(C)C ZINC001246332230 1131473364 /nfs/dbraw/zinc/47/33/64/1131473364.db2.gz QBUBXGSGZRKERI-SOUVJXGZSA-N 2 1 254.462 3.569 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](CC2CC2)C(C)C)cc1 ZINC001138547976 1131519038 /nfs/dbraw/zinc/51/90/38/1131519038.db2.gz YMJPKYIWJJFMEW-UHFFFAOYSA-N 2 1 283.419 3.801 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](CC2CC2)C(C)C)cc1 ZINC001138547976 1131519039 /nfs/dbraw/zinc/51/90/39/1131519039.db2.gz YMJPKYIWJJFMEW-UHFFFAOYSA-N 2 1 283.419 3.801 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCCC[C@H](F)C2)cc1 ZINC001138545036 1131519305 /nfs/dbraw/zinc/51/93/05/1131519305.db2.gz QSJDJQXIUJQFNU-INIZCTEOSA-N 2 1 287.382 3.505 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCCC[C@H](F)C2)cc1 ZINC001138545036 1131519310 /nfs/dbraw/zinc/51/93/10/1131519310.db2.gz QSJDJQXIUJQFNU-INIZCTEOSA-N 2 1 287.382 3.505 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCCCC[C@@H]2C)cc1 ZINC001138547723 1131519970 /nfs/dbraw/zinc/51/99/70/1131519970.db2.gz RVVXQUHACLONHP-HNNXBMFYSA-N 2 1 283.419 3.945 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCCCC[C@@H]2C)cc1 ZINC001138547723 1131519973 /nfs/dbraw/zinc/51/99/73/1131519973.db2.gz RVVXQUHACLONHP-HNNXBMFYSA-N 2 1 283.419 3.945 20 0 CHADMP CCCC[C@H](CC(C)C)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246556501 1131617527 /nfs/dbraw/zinc/61/75/27/1131617527.db2.gz HMDBDNJZVXJZOS-IXDOHACOSA-N 2 1 268.489 3.898 20 0 CHADMP CCCC[C@@H](CC(C)C)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246556403 1131617765 /nfs/dbraw/zinc/61/77/65/1131617765.db2.gz ZGRIDEUFDZIMOQ-JKSUJKDBSA-N 2 1 254.462 3.795 20 0 CHADMP CCCC[C@H](CC(C)C)[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001246566709 1131633143 /nfs/dbraw/zinc/63/31/43/1131633143.db2.gz UYZUMAIXQIOVLP-ARFHVFGLSA-N 2 1 254.462 3.651 20 0 CHADMP C[C@]1(F)CCCC[N@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246579545 1131674592 /nfs/dbraw/zinc/67/45/92/1131674592.db2.gz ZKSFDXKLOSIHFN-CVEARBPZSA-N 2 1 282.447 3.655 20 0 CHADMP C[C@@]1(C[NH3+])CCCC[N@H+](C2CCC(C(F)(F)F)CC2)C1 ZINC001246587234 1131698390 /nfs/dbraw/zinc/69/83/90/1131698390.db2.gz WFXDYJSTKKUMRO-RUXDESIVSA-N 2 1 292.389 3.558 20 0 CHADMP CC[C@@H]1c2ccsc2CC[N@@H+]1CCCCCC[NH3+] ZINC000846218010 1131700877 /nfs/dbraw/zinc/70/08/77/1131700877.db2.gz GGHGLHYGKCKUOZ-CQSZACIVSA-N 2 1 266.454 3.576 20 0 CHADMP Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CCCCCC[NH3+])C1 ZINC000846219644 1131701783 /nfs/dbraw/zinc/70/17/83/1131701783.db2.gz UMLDXXPUGSOTLH-SJORKVTESA-N 2 1 274.452 3.692 20 0 CHADMP CCCCCC1CCC([N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CC1 ZINC001246595186 1131710367 /nfs/dbraw/zinc/71/03/67/1131710367.db2.gz XMQYEOPFWAIGQH-BHUNQDJPSA-N 2 1 284.463 3.887 20 0 CHADMP CCCCCC1CCC([N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CC1 ZINC001246595186 1131710363 /nfs/dbraw/zinc/71/03/63/1131710363.db2.gz XMQYEOPFWAIGQH-BHUNQDJPSA-N 2 1 284.463 3.887 20 0 CHADMP CC1(C)CCC[C@@H]([N@H+]2CCC[C@@]23CCC[NH2+]CC3)C1 ZINC001246606925 1131714557 /nfs/dbraw/zinc/71/45/57/1131714557.db2.gz OPRFOYLHVWEUHZ-NVXWUHKLSA-N 2 1 264.457 3.563 20 0 CHADMP CCCC[C@@H]1C[C@H]([NH+]2CCC3(CCC3)CC2)CC[NH2+]1 ZINC001246614263 1131718018 /nfs/dbraw/zinc/71/80/18/1131718018.db2.gz AIUPVPFDAHGKSQ-HZPDHXFCSA-N 2 1 264.457 3.563 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001246624627 1131722697 /nfs/dbraw/zinc/72/26/97/1131722697.db2.gz VNVILLJLSDRATR-ULQDDVLXSA-N 2 1 266.473 3.665 20 0 CHADMP CC[C@H](C)C[C@H](CC)[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246628998 1131734779 /nfs/dbraw/zinc/73/47/79/1131734779.db2.gz DAAAHEZDVGHDIJ-YESZJQIVSA-N 2 1 266.473 3.809 20 0 CHADMP CC[C@H](C)C[C@H](CC)[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246628998 1131734785 /nfs/dbraw/zinc/73/47/85/1131734785.db2.gz DAAAHEZDVGHDIJ-YESZJQIVSA-N 2 1 266.473 3.809 20 0 CHADMP CCCCC(CCCC)[N@H+]1CCC12CC[NH2+]CC2 ZINC001246643183 1131767178 /nfs/dbraw/zinc/76/71/78/1131767178.db2.gz RJDMDMRXTYXJPJ-UHFFFAOYSA-N 2 1 252.446 3.563 20 0 CHADMP CC(C)CC[C@H](C)[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001246646254 1131770298 /nfs/dbraw/zinc/77/02/98/1131770298.db2.gz PHLHWXQKKWOVAJ-RDJZCZTQSA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)CC[C@@H](C)[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001246646247 1131770918 /nfs/dbraw/zinc/77/09/18/1131770918.db2.gz PHLHWXQKKWOVAJ-NVXWUHKLSA-N 2 1 266.473 3.665 20 0 CHADMP CCCCCC[C@H](CC)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001246649907 1131776367 /nfs/dbraw/zinc/77/63/67/1131776367.db2.gz RNBYTVADHANAQE-JKSUJKDBSA-N 2 1 252.446 3.563 20 0 CHADMP C[N@@H+](CC1CC[NH2+]CC1)C1CCC2(CCCCC2)CC1 ZINC001246677974 1131779545 /nfs/dbraw/zinc/77/95/45/1131779545.db2.gz BIUXYRSTUPYECI-UHFFFAOYSA-N 2 1 278.484 3.811 20 0 CHADMP CCC[C@@H](C)CC[C@H](C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC001246683167 1131781113 /nfs/dbraw/zinc/78/11/13/1131781113.db2.gz ZXPMXXSRBJRNBV-CABCVRRESA-N 2 1 254.462 3.523 20 0 CHADMP CCC[C@@H](C)CC[C@@H](C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC001246683190 1131782351 /nfs/dbraw/zinc/78/23/51/1131782351.db2.gz ZXPMXXSRBJRNBV-HUUCEWRRSA-N 2 1 254.462 3.523 20 0 CHADMP CCCCCC[C@H](CC)[N@@H+](CC)C1CC[NH2+]CC1 ZINC001246797404 1131783588 /nfs/dbraw/zinc/78/35/88/1131783588.db2.gz PNNPGIDNHLVTDJ-HNNXBMFYSA-N 2 1 254.462 3.809 20 0 CHADMP C[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246801021 1131784191 /nfs/dbraw/zinc/78/41/91/1131784191.db2.gz XQHMFVCTZRXVMN-CVEARBPZSA-N 2 1 294.870 3.939 20 0 CHADMP CCCC[C@@H]1C[C@@H]([N@@H+](C)CC2CCCCC2)CC[NH2+]1 ZINC001246843477 1131789375 /nfs/dbraw/zinc/78/93/75/1131789375.db2.gz CPGDQZZKGHKDLV-SJORKVTESA-N 2 1 266.473 3.809 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC=C(c2ccccc2)CC1 ZINC001140804943 1131928938 /nfs/dbraw/zinc/92/89/38/1131928938.db2.gz LGXSUQIJLLWKGM-UHFFFAOYSA-N 2 1 289.382 3.852 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC001140804943 1131928945 /nfs/dbraw/zinc/92/89/45/1131928945.db2.gz LGXSUQIJLLWKGM-UHFFFAOYSA-N 2 1 289.382 3.852 20 0 CHADMP Cc1ccc(CC[N@H+](C)Cc2c[nH]c3ccncc23)cc1 ZINC001140807440 1131929094 /nfs/dbraw/zinc/92/90/94/1131929094.db2.gz ZKTNMYYFGZATGA-UHFFFAOYSA-N 2 1 279.387 3.546 20 0 CHADMP Cc1ccc(CC[N@@H+](C)Cc2cnc3cc[nH]cc2-3)cc1 ZINC001140807440 1131929100 /nfs/dbraw/zinc/92/91/00/1131929100.db2.gz ZKTNMYYFGZATGA-UHFFFAOYSA-N 2 1 279.387 3.546 20 0 CHADMP Cc1ccc(CC[N@@H+](C)Cc2c[nH]c3cc[nH+]cc23)cc1 ZINC001140807440 1131929107 /nfs/dbraw/zinc/92/91/07/1131929107.db2.gz ZKTNMYYFGZATGA-UHFFFAOYSA-N 2 1 279.387 3.546 20 0 CHADMP Cc1ccc(CC[N@H+](C)Cc2c[nH]c3cc[nH+]cc23)cc1 ZINC001140807440 1131929112 /nfs/dbraw/zinc/92/91/12/1131929112.db2.gz ZKTNMYYFGZATGA-UHFFFAOYSA-N 2 1 279.387 3.546 20 0 CHADMP CC[NH+](CC)CCC[NH2+]C1(c2cccc(F)c2)CCC1 ZINC001171436740 1132017650 /nfs/dbraw/zinc/01/76/50/1132017650.db2.gz XQIZEHVBMGUMAN-UHFFFAOYSA-N 2 1 278.415 3.526 20 0 CHADMP CCCCC[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000037256142 1132025019 /nfs/dbraw/zinc/02/50/19/1132025019.db2.gz JQBNQAIFQXQADW-SFHVURJKSA-N 2 1 274.452 3.992 20 0 CHADMP C[NH+]1CCC([NH2+][C@H](c2ccccc2)C2CCCCC2)CC1 ZINC000037267021 1132026924 /nfs/dbraw/zinc/02/69/24/1132026924.db2.gz GDRRZIPOVFLWFD-LJQANCHMSA-N 2 1 286.463 3.992 20 0 CHADMP c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]([NH2+][C@H]2CC=CCC2)C3)cc1 ZINC000716627723 1132029021 /nfs/dbraw/zinc/02/90/21/1132029021.db2.gz UAEDTMCYAWTRGH-HAGHYFMRSA-N 2 1 296.458 3.738 20 0 CHADMP C=C/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716703097 1132030204 /nfs/dbraw/zinc/03/02/04/1132030204.db2.gz XNQITIVWFZXMOE-KXTSPJLFSA-N 2 1 296.458 3.761 20 0 CHADMP C[N@H+](Cc1cccc(F)c1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171630772 1132061326 /nfs/dbraw/zinc/06/13/26/1132061326.db2.gz BDGJEIBAGNHYDJ-UHFFFAOYSA-N 2 1 292.442 3.909 20 0 CHADMP C[N@@H+](Cc1cccc(F)c1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171630772 1132061331 /nfs/dbraw/zinc/06/13/31/1132061331.db2.gz BDGJEIBAGNHYDJ-UHFFFAOYSA-N 2 1 292.442 3.909 20 0 CHADMP C[C@H]1CCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171631968 1132062834 /nfs/dbraw/zinc/06/28/34/1132062834.db2.gz RLCBZLFDNSDHDG-AWEZNQCLSA-N 2 1 266.473 3.760 20 0 CHADMP C[NH+]1C(C)(C)CC([N@@H+]2Cc3ccc(F)cc3C2)CC1(C)C ZINC001171639811 1132080184 /nfs/dbraw/zinc/08/01/84/1132080184.db2.gz USVPAWFPKVWLBR-UHFFFAOYSA-N 2 1 290.426 3.793 20 0 CHADMP C[NH+]1C(C)(C)CC([N@H+]2Cc3ccc(F)cc3C2)CC1(C)C ZINC001171639811 1132080192 /nfs/dbraw/zinc/08/01/92/1132080192.db2.gz USVPAWFPKVWLBR-UHFFFAOYSA-N 2 1 290.426 3.793 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC001171964222 1132112165 /nfs/dbraw/zinc/11/21/65/1132112165.db2.gz LBBKUDUSUPNEFB-YJBOKZPZSA-N 2 1 286.463 3.818 20 0 CHADMP CC1(C)C[C@H]([NH+]2C[C@H]3CC[C@@H]2C3)CC[N@@H+]1Cc1ccccc1 ZINC001171988914 1132116241 /nfs/dbraw/zinc/11/62/41/1132116241.db2.gz XFTNSCFQMOWIJL-IPMKNSEASA-N 2 1 298.474 3.914 20 0 CHADMP CC1(C)C[C@H]([NH+]2C[C@H]3CC[C@@H]2C3)CC[N@H+]1Cc1ccccc1 ZINC001171988914 1132116246 /nfs/dbraw/zinc/11/62/46/1132116246.db2.gz XFTNSCFQMOWIJL-IPMKNSEASA-N 2 1 298.474 3.914 20 0 CHADMP CC1(C)C[C@H]([N@@H+]2C[C@H]3CC[C@@H]2C3)CC[NH+]1Cc1ccccc1 ZINC001171988914 1132116250 /nfs/dbraw/zinc/11/62/50/1132116250.db2.gz XFTNSCFQMOWIJL-IPMKNSEASA-N 2 1 298.474 3.914 20 0 CHADMP CC1(C)C[C@H]([N@H+]2C[C@H]3CC[C@@H]2C3)CC[NH+]1Cc1ccccc1 ZINC001171988914 1132116255 /nfs/dbraw/zinc/11/62/55/1132116255.db2.gz XFTNSCFQMOWIJL-IPMKNSEASA-N 2 1 298.474 3.914 20 0 CHADMP C[C@H]1CCC[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976954 1132119795 /nfs/dbraw/zinc/11/97/95/1132119795.db2.gz PBHSUSPEULYFIC-FUHWJXTLSA-N 2 1 286.463 3.914 20 0 CHADMP C[C@H]1CCC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976954 1132119798 /nfs/dbraw/zinc/11/97/98/1132119798.db2.gz PBHSUSPEULYFIC-FUHWJXTLSA-N 2 1 286.463 3.914 20 0 CHADMP C[C@H]1CCC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976954 1132119802 /nfs/dbraw/zinc/11/98/02/1132119802.db2.gz PBHSUSPEULYFIC-FUHWJXTLSA-N 2 1 286.463 3.914 20 0 CHADMP C[C@H]1CCC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976954 1132119806 /nfs/dbraw/zinc/11/98/06/1132119806.db2.gz PBHSUSPEULYFIC-FUHWJXTLSA-N 2 1 286.463 3.914 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@H]3CCCC[C@H]3C1)C2 ZINC001172126187 1132125271 /nfs/dbraw/zinc/12/52/71/1132125271.db2.gz UCVHNSNFTYFCNE-MDMSPXHWSA-N 2 1 276.468 3.514 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@H]3CCCC[C@H]3C1)C2 ZINC001172126187 1132125272 /nfs/dbraw/zinc/12/52/72/1132125272.db2.gz UCVHNSNFTYFCNE-MDMSPXHWSA-N 2 1 276.468 3.514 20 0 CHADMP C[C@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172069296 1132125985 /nfs/dbraw/zinc/12/59/85/1132125985.db2.gz OTKKVQJDUCTQIQ-IJXRJRJASA-N 2 1 298.474 3.914 20 0 CHADMP C[C@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172069296 1132125988 /nfs/dbraw/zinc/12/59/88/1132125988.db2.gz OTKKVQJDUCTQIQ-IJXRJRJASA-N 2 1 298.474 3.914 20 0 CHADMP C[C@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172069296 1132125993 /nfs/dbraw/zinc/12/59/93/1132125993.db2.gz OTKKVQJDUCTQIQ-IJXRJRJASA-N 2 1 298.474 3.914 20 0 CHADMP C[C@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172069296 1132125998 /nfs/dbraw/zinc/12/59/98/1132125998.db2.gz OTKKVQJDUCTQIQ-IJXRJRJASA-N 2 1 298.474 3.914 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1Cc3ccc(Cl)cc3C1)C2 ZINC001172127704 1132127080 /nfs/dbraw/zinc/12/70/80/1132127080.db2.gz KXHQFJOQBZREAT-FVQHAEBGSA-N 2 1 290.838 3.671 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1Cc3ccc(Cl)cc3C1)C2 ZINC001172127704 1132127083 /nfs/dbraw/zinc/12/70/83/1132127083.db2.gz KXHQFJOQBZREAT-FVQHAEBGSA-N 2 1 290.838 3.671 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1Cc3ccc(Cl)cc3C1)C2 ZINC001172127704 1132127088 /nfs/dbraw/zinc/12/70/88/1132127088.db2.gz KXHQFJOQBZREAT-FVQHAEBGSA-N 2 1 290.838 3.671 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1Cc3ccc(Cl)cc3C1)C2 ZINC001172127704 1132127094 /nfs/dbraw/zinc/12/70/94/1132127094.db2.gz KXHQFJOQBZREAT-FVQHAEBGSA-N 2 1 290.838 3.671 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC=C(c3ccccc3)CC1)C2 ZINC001172128342 1132127695 /nfs/dbraw/zinc/12/76/95/1132127695.db2.gz RFWPLAIRIBGMQY-PMOLBWCYSA-N 2 1 296.458 3.791 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC=C(c3ccccc3)CC1)C2 ZINC001172128342 1132127699 /nfs/dbraw/zinc/12/76/99/1132127699.db2.gz RFWPLAIRIBGMQY-PMOLBWCYSA-N 2 1 296.458 3.791 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC=C(c3ccccc3)CC1)C2 ZINC001172128342 1132127706 /nfs/dbraw/zinc/12/77/06/1132127706.db2.gz RFWPLAIRIBGMQY-PMOLBWCYSA-N 2 1 296.458 3.791 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC=C(c3ccccc3)CC1)C2 ZINC001172128342 1132127709 /nfs/dbraw/zinc/12/77/09/1132127709.db2.gz RFWPLAIRIBGMQY-PMOLBWCYSA-N 2 1 296.458 3.791 20 0 CHADMP Cc1cccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1C ZINC001172108720 1132130672 /nfs/dbraw/zinc/13/06/72/1132130672.db2.gz DLNBBNRYKKOCKP-TVFCKZIOSA-N 2 1 286.463 3.969 20 0 CHADMP Cc1cccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1C ZINC001172108720 1132130676 /nfs/dbraw/zinc/13/06/76/1132130676.db2.gz DLNBBNRYKKOCKP-TVFCKZIOSA-N 2 1 286.463 3.969 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=[NH2+])C1CCCCCC1)C2 ZINC001172106551 1132130737 /nfs/dbraw/zinc/13/07/37/1132130737.db2.gz QAFFNEXSUUWRAR-PHZGNYQRSA-N 2 1 277.456 3.539 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(C)CCC(F)(F)CC1)C2 ZINC001172109094 1132130746 /nfs/dbraw/zinc/13/07/46/1132130746.db2.gz CCOKDLOIYYGBQX-ZSOGYDGISA-N 2 1 286.410 3.559 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(C)CCC(F)(F)CC1)C2 ZINC001172109094 1132130750 /nfs/dbraw/zinc/13/07/50/1132130750.db2.gz CCOKDLOIYYGBQX-ZSOGYDGISA-N 2 1 286.410 3.559 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(C(C)(C)C)CC1)C2 ZINC001172113782 1132131311 /nfs/dbraw/zinc/13/13/11/1132131311.db2.gz MFGOARYARPKQGF-FVQHAEBGSA-N 2 1 278.484 3.760 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(C(C)(C)C)CC1)C2 ZINC001172113782 1132131316 /nfs/dbraw/zinc/13/13/16/1132131316.db2.gz MFGOARYARPKQGF-FVQHAEBGSA-N 2 1 278.484 3.760 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1C ZINC001172118612 1132131340 /nfs/dbraw/zinc/13/13/40/1132131340.db2.gz SDEMAWLJCUNUSZ-KANFNMMFSA-N 2 1 286.463 3.969 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C ZINC001172118612 1132131345 /nfs/dbraw/zinc/13/13/45/1132131345.db2.gz SDEMAWLJCUNUSZ-KANFNMMFSA-N 2 1 286.463 3.969 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1CCCCCC1)C2 ZINC001172112263 1132133274 /nfs/dbraw/zinc/13/32/74/1132133274.db2.gz VBISEVNZXNFZPU-OSYLJGHBSA-N 2 1 264.457 3.562 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)c1ccccc1F)C2 ZINC001172113251 1132133501 /nfs/dbraw/zinc/13/35/01/1132133501.db2.gz FTURGVFABIUINI-QDMKHBRRSA-N 2 1 290.426 3.666 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H](c3ccccc3)C1)C2 ZINC001172121446 1132135723 /nfs/dbraw/zinc/13/57/23/1132135723.db2.gz JOVXCYCQVDPREE-VNTMZGSJSA-N 2 1 298.474 3.881 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H](c3ccccc3)C1)C2 ZINC001172121446 1132135727 /nfs/dbraw/zinc/13/57/27/1132135727.db2.gz JOVXCYCQVDPREE-VNTMZGSJSA-N 2 1 298.474 3.881 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H](c3ccccc3)C1)C2 ZINC001172121446 1132135731 /nfs/dbraw/zinc/13/57/31/1132135731.db2.gz JOVXCYCQVDPREE-VNTMZGSJSA-N 2 1 298.474 3.881 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H](c3ccccc3)C1)C2 ZINC001172121446 1132135733 /nfs/dbraw/zinc/13/57/33/1132135733.db2.gz JOVXCYCQVDPREE-VNTMZGSJSA-N 2 1 298.474 3.881 20 0 CHADMP C[N@H+](Cc1ccccc1Cl)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172122689 1132135977 /nfs/dbraw/zinc/13/59/77/1132135977.db2.gz SEGHWEDIOUIOIC-MUJYYYPQSA-N 2 1 292.854 3.787 20 0 CHADMP C[N@@H+](Cc1ccccc1Cl)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172122689 1132135982 /nfs/dbraw/zinc/13/59/82/1132135982.db2.gz SEGHWEDIOUIOIC-MUJYYYPQSA-N 2 1 292.854 3.787 20 0 CHADMP C[NH+](Cc1ccccc1Cl)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172122689 1132135985 /nfs/dbraw/zinc/13/59/85/1132135985.db2.gz SEGHWEDIOUIOIC-MUJYYYPQSA-N 2 1 292.854 3.787 20 0 CHADMP C[NH+](Cc1ccccc1Cl)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172122689 1132135988 /nfs/dbraw/zinc/13/59/88/1132135988.db2.gz SEGHWEDIOUIOIC-MUJYYYPQSA-N 2 1 292.854 3.787 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCCC3)CC1)C2 ZINC001172120755 1132136256 /nfs/dbraw/zinc/13/62/56/1132136256.db2.gz MNDCITVVXTVNKJ-BJWYYQGGSA-N 2 1 276.468 3.658 20 0 CHADMP CC[C@@H](C)OCC[C@H](C)[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172334211 1132173461 /nfs/dbraw/zinc/17/34/61/1132173461.db2.gz LTQIANVLAPVQKC-MHORFTMASA-N 2 1 298.515 3.808 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H](C)CCO[C@@H](C)CC)CC1 ZINC001172358981 1132187181 /nfs/dbraw/zinc/18/71/81/1132187181.db2.gz HKFCUSVVDPPQKP-IRXDYDNUSA-N 2 1 298.515 3.776 20 0 CHADMP CCOCC[C@@H](C)[N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172422489 1132203836 /nfs/dbraw/zinc/20/38/36/1132203836.db2.gz SZOCNRUBIYPYFB-KBAYOESNSA-N 2 1 296.499 3.564 20 0 CHADMP CC(C)COCC[C@@H](C)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172469935 1132224600 /nfs/dbraw/zinc/22/46/00/1132224600.db2.gz YBRWQZVMQQFFRH-JFIYKMOQSA-N 2 1 296.499 3.562 20 0 CHADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172552502 1132265221 /nfs/dbraw/zinc/26/52/21/1132265221.db2.gz ZOZLFBQLXWQVDO-YRXWBPOGSA-N 2 1 286.463 3.785 20 0 CHADMP CC(C)[N@H+](C1CC(C)(C)OC(C)(C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172653584 1132289118 /nfs/dbraw/zinc/28/91/18/1132289118.db2.gz NKNFBNNVNSRUKO-SHTZXODSSA-N 2 1 296.499 3.703 20 0 CHADMP CC[NH+](CC)C1CC[NH+](Cc2cc(C)c(C)cc2C)CC1 ZINC001231484230 1132300182 /nfs/dbraw/zinc/30/01/82/1132300182.db2.gz KJSKHHMYMDYSSS-UHFFFAOYSA-N 2 1 288.479 3.918 20 0 CHADMP COc1cc(C)c(C[N@H+](C)CCC[NH+](C)C)cc1C(C)C ZINC001231625280 1132328432 /nfs/dbraw/zinc/32/84/32/1132328432.db2.gz REXTXQINSCXLLW-UHFFFAOYSA-N 2 1 292.467 3.511 20 0 CHADMP COc1cc(C)c(C[N@@H+](C)CCC[NH+](C)C)cc1C(C)C ZINC001231625280 1132328440 /nfs/dbraw/zinc/32/84/40/1132328440.db2.gz REXTXQINSCXLLW-UHFFFAOYSA-N 2 1 292.467 3.511 20 0 CHADMP Cc1cc[nH+]c(Nc2ccc(C3CC[NH+](C)CC3)cc2)c1 ZINC001212686872 1132334420 /nfs/dbraw/zinc/33/44/20/1132334420.db2.gz OQUWLLRWTNEXNX-UHFFFAOYSA-N 2 1 281.403 3.943 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001173109028 1132392437 /nfs/dbraw/zinc/39/24/37/1132392437.db2.gz VTPRLKVEMYWAEQ-UHFFFAOYSA-N 2 1 286.463 3.698 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](C(F)(F)F)C2)CC1 ZINC001173114717 1132393908 /nfs/dbraw/zinc/39/39/08/1132393908.db2.gz RFJPZFIUYQKYBV-IYXRBSQSSA-N 2 1 292.389 3.524 20 0 CHADMP CC[C@H]1CCC[N@H+](C2CCC([NH+](CC)CC)CC2)C1 ZINC001173114704 1132394323 /nfs/dbraw/zinc/39/43/23/1132394323.db2.gz QSMDJQNXUKZPOQ-GTPINHCMSA-N 2 1 266.473 3.761 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC001173114492 1132394705 /nfs/dbraw/zinc/39/47/05/1132394705.db2.gz MHDVLAWACPVRDC-BFWZDYSYSA-N 2 1 278.484 3.904 20 0 CHADMP Cc1cccc(C[N@@H+](C)Cc2cc3c[nH+]ccc3[nH]2)c1 ZINC001232012262 1132410281 /nfs/dbraw/zinc/41/02/81/1132410281.db2.gz XPGHNFSHWCEBDS-UHFFFAOYSA-N 2 1 265.360 3.503 20 0 CHADMP COc1ccccc1[C@@H](C)[N@@H+](C)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232015400 1132410445 /nfs/dbraw/zinc/41/04/45/1132410445.db2.gz GOMADSCNFCYGCW-CYBMUJFWSA-N 2 1 295.386 3.765 20 0 CHADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001232013890 1132411780 /nfs/dbraw/zinc/41/17/80/1132411780.db2.gz HQQNNUWPLHIIIO-INIZCTEOSA-N 2 1 291.398 3.628 20 0 CHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+](C)CC2CCCC2)c1 ZINC001232146029 1132426979 /nfs/dbraw/zinc/42/69/79/1132426979.db2.gz GRFQWAVXACVYAT-UHFFFAOYSA-N 2 1 278.415 3.509 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC001232146676 1132427906 /nfs/dbraw/zinc/42/79/06/1132427906.db2.gz YAOFNUVMMRWDFN-KGLIPLIRSA-N 2 1 278.415 3.508 20 0 CHADMP CCS[C@@H]1CCCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000842472559 1132432708 /nfs/dbraw/zinc/43/27/08/1132432708.db2.gz DUPQSWHHNFOJFT-OAHLLOKOSA-N 2 1 272.502 3.503 20 0 CHADMP COc1ccc([C@H](C)[N@@H+](C)CCCCCCC[NH3+])cc1 ZINC000842471594 1132433434 /nfs/dbraw/zinc/43/34/34/1132433434.db2.gz LHJRSIWOZLNVCH-HNNXBMFYSA-N 2 1 278.440 3.597 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000842694870 1132451659 /nfs/dbraw/zinc/45/16/59/1132451659.db2.gz SVCWSODLZNQLLA-CQSZACIVSA-N 2 1 288.426 3.522 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H]2CC[C@@H](CC)C2)CC1 ZINC001173281615 1132454701 /nfs/dbraw/zinc/45/47/01/1132454701.db2.gz AHPRVGCVNSUKQF-NVXWUHKLSA-N 2 1 266.473 3.761 20 0 CHADMP C[NH+](C)CCC[N@@H+](C)[C@@H]1CCCC2(CCCCC2)C1 ZINC001173346433 1132471236 /nfs/dbraw/zinc/47/12/36/1132471236.db2.gz LYAXGDBBXRUNPR-MRXNPFEDSA-N 2 1 266.473 3.763 20 0 CHADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@@H]1CCCC3(CCCCC3)C1)C2 ZINC001173347849 1132472754 /nfs/dbraw/zinc/47/27/54/1132472754.db2.gz CHUHNYYIUQIXHP-ZHALLVOQSA-N 2 1 290.495 3.763 20 0 CHADMP CCCCC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000842922282 1132475760 /nfs/dbraw/zinc/47/57/60/1132475760.db2.gz VSDXSUZGCZUDAP-UHOSZYNNSA-N 2 1 288.479 3.890 20 0 CHADMP Cc1cc2cc(C[N@H+](C)C3CCC([NH3+])CC3)oc2cc1C ZINC000843055533 1132494158 /nfs/dbraw/zinc/49/41/58/1132494158.db2.gz GGHHVMJTPWVRJQ-UHFFFAOYSA-N 2 1 286.419 3.751 20 0 CHADMP CC(C)[C@H](C[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000843119686 1132496808 /nfs/dbraw/zinc/49/68/08/1132496808.db2.gz CCNSBKBTXDSOGZ-SFHVURJKSA-N 2 1 286.463 3.502 20 0 CHADMP C[N@@H+](CCCc1cccc2ccccc21)C1CCC([NH3+])CC1 ZINC000843355768 1132522385 /nfs/dbraw/zinc/52/23/85/1132522385.db2.gz WRGVARFNDQGYDH-UHFFFAOYSA-N 2 1 296.458 3.974 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(Cl)ccc1C ZINC001233251082 1132591314 /nfs/dbraw/zinc/59/13/14/1132591314.db2.gz MYXAFFHATVXIQO-UHFFFAOYSA-N 2 1 282.859 3.812 20 0 CHADMP Cc1cc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)sc1C ZINC001233700880 1132665793 /nfs/dbraw/zinc/66/57/93/1132665793.db2.gz VGOIAMVZTFAAPZ-UHFFFAOYSA-N 2 1 292.492 3.815 20 0 CHADMP Cc1cc2[nH]ccc2c(NCCC[N@@H+]2CCCC[C@H]2C)[nH+]1 ZINC001156927877 1132715692 /nfs/dbraw/zinc/71/56/92/1132715692.db2.gz HEIFHDJAKJWPBL-CQSZACIVSA-N 2 1 286.423 3.548 20 0 CHADMP C[C@@H]1CCCC[N@@H+]1CCCNc1cc(C2CC2)cc[nH+]1 ZINC001156929453 1132716123 /nfs/dbraw/zinc/71/61/23/1132716123.db2.gz WZBIDGFFPJYPTJ-CQSZACIVSA-N 2 1 273.424 3.635 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCNc1cc(C2CC2)cc[nH+]1 ZINC001156929453 1132716130 /nfs/dbraw/zinc/71/61/30/1132716130.db2.gz WZBIDGFFPJYPTJ-CQSZACIVSA-N 2 1 273.424 3.635 20 0 CHADMP CC1(C)C[C@H](Nc2cc(C3CC3)cc[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001158263372 1132767091 /nfs/dbraw/zinc/76/70/91/1132767091.db2.gz BXNXMNOQQLQRKX-YJBOKZPZSA-N 2 1 287.451 3.915 20 0 CHADMP CCc1ccc(C)[nH+]c1Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001159106829 1132807668 /nfs/dbraw/zinc/80/76/68/1132807668.db2.gz HSYKLEZRSDTSBY-UHFFFAOYSA-N 2 1 269.392 3.890 20 0 CHADMP c1cc2cc(Nc3ccc4c(c3)CC[NH2+]CC4)ccc2c[nH+]1 ZINC001159679136 1132890694 /nfs/dbraw/zinc/89/06/94/1132890694.db2.gz MYOFRIJKZCVMJY-UHFFFAOYSA-N 2 1 289.382 3.667 20 0 CHADMP Cn1c[nH+]c2cccc(Nc3ccc([C@@H]4CCC[NH2+]4)cc3)c21 ZINC001159850935 1132916507 /nfs/dbraw/zinc/91/65/07/1132916507.db2.gz QFCNYHXNHZGLDZ-HNNXBMFYSA-N 2 1 292.386 3.741 20 0 CHADMP Cc1c[nH+]c(NC2CC[NH+](CC(C)(C)C)CC2)c(C)c1 ZINC001161207264 1132995548 /nfs/dbraw/zinc/99/55/48/1132995548.db2.gz KWMSAGXQLSYBAB-UHFFFAOYSA-N 2 1 275.440 3.621 20 0 CHADMP Cc1[nH+]c2ccc(NCCCC[NH+](C)C)cc2n1C(C)C ZINC001161730544 1133021177 /nfs/dbraw/zinc/02/11/77/1133021177.db2.gz ISHGVQDMTKIWDQ-UHFFFAOYSA-N 2 1 288.439 3.679 20 0 CHADMP Cc1cc[nH+]c(C)c1N(CC[NH3+])c1cccc2ccccc21 ZINC001162007816 1133048491 /nfs/dbraw/zinc/04/84/91/1133048491.db2.gz QQCDHBVWIVSCBD-UHFFFAOYSA-N 2 1 291.398 3.948 20 0 CHADMP Cc1cc([NH+]2CCCCC2)ccc1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001162404567 1133075106 /nfs/dbraw/zinc/07/51/06/1133075106.db2.gz OIROYJFHNVSBLE-CVEARBPZSA-N 2 1 287.451 3.667 20 0 CHADMP Cc1c[nH+]c(NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)c(C)c1 ZINC001163319763 1133141803 /nfs/dbraw/zinc/14/18/03/1133141803.db2.gz KBDKUBKPZXSSBQ-QGZVFWFLSA-N 2 1 299.462 3.931 20 0 CHADMP C[NH+](C)Cc1cccc(CNc2ccc(C3CC3)c[nH+]2)c1 ZINC001163994387 1133191017 /nfs/dbraw/zinc/19/10/17/1133191017.db2.gz IKMLCWCBNZTOFJ-UHFFFAOYSA-N 2 1 281.403 3.633 20 0 CHADMP CCc1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)o1 ZINC001204395375 1133227757 /nfs/dbraw/zinc/22/77/57/1133227757.db2.gz NPXQEMDJIXPVMY-HOTGVXAUSA-N 2 1 290.451 3.681 20 0 CHADMP CCc1ccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)o1 ZINC001204395375 1133227763 /nfs/dbraw/zinc/22/77/63/1133227763.db2.gz NPXQEMDJIXPVMY-HOTGVXAUSA-N 2 1 290.451 3.681 20 0 CHADMP CCc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)o1 ZINC001204395375 1133227769 /nfs/dbraw/zinc/22/77/69/1133227769.db2.gz NPXQEMDJIXPVMY-HOTGVXAUSA-N 2 1 290.451 3.681 20 0 CHADMP CCc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)o1 ZINC001204395375 1133227775 /nfs/dbraw/zinc/22/77/75/1133227775.db2.gz NPXQEMDJIXPVMY-HOTGVXAUSA-N 2 1 290.451 3.681 20 0 CHADMP Cc1ccc2c(C)cc(NCC[C@@H]3CCC[N@@H+](C)C3)[nH+]c2c1 ZINC001165273320 1133233520 /nfs/dbraw/zinc/23/35/20/1133233520.db2.gz QJZDQMLWNGNIIN-INIZCTEOSA-N 2 1 297.446 3.995 20 0 CHADMP Cc1ccc2c(C)cc(NCC[C@@H]3CCC[N@H+](C)C3)[nH+]c2c1 ZINC001165273320 1133233527 /nfs/dbraw/zinc/23/35/27/1133233527.db2.gz QJZDQMLWNGNIIN-INIZCTEOSA-N 2 1 297.446 3.995 20 0 CHADMP CN1CCC([N@@H+](Cc2cccc(F)c2)C2CCCC2)CC1 ZINC001203788616 1133368509 /nfs/dbraw/zinc/36/85/09/1133368509.db2.gz PYQRZHSFEZLACU-UHFFFAOYSA-N 2 1 290.426 3.665 20 0 CHADMP Cc1cc(C)cc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c1 ZINC001204522243 1133458312 /nfs/dbraw/zinc/45/83/12/1133458312.db2.gz KJUHAKJFLZGIAA-UHFFFAOYSA-N 2 1 288.479 3.856 20 0 CHADMP C[C@@]1([NH3+])CCC[N@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001204938824 1133503802 /nfs/dbraw/zinc/50/38/02/1133503802.db2.gz NEJJQIDIVYCWNF-LJQANCHMSA-N 2 1 298.405 3.806 20 0 CHADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001204938824 1133503807 /nfs/dbraw/zinc/50/38/07/1133503807.db2.gz NEJJQIDIVYCWNF-LJQANCHMSA-N 2 1 298.405 3.806 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+]1[C@@H](C)CC[C@H]1CN ZINC001205069057 1133522927 /nfs/dbraw/zinc/52/29/27/1133522927.db2.gz SYOILIPYFOIGQI-AAEUAGOBSA-N 2 1 274.433 3.521 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205069057 1133522929 /nfs/dbraw/zinc/52/29/29/1133522929.db2.gz SYOILIPYFOIGQI-AAEUAGOBSA-N 2 1 274.433 3.521 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205069057 1133522930 /nfs/dbraw/zinc/52/29/30/1133522930.db2.gz SYOILIPYFOIGQI-AAEUAGOBSA-N 2 1 274.433 3.521 20 0 CHADMP C[C@H]1CC[C@@H](CN)[N@@H+]1Cc1cccc(-c2ccc(F)cc2)c1 ZINC001205069380 1133522959 /nfs/dbraw/zinc/52/29/59/1133522959.db2.gz YRIBFSUZBMVLFM-LIRRHRJNSA-N 2 1 298.405 3.804 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cccc(-c2ccc(F)cc2)c1 ZINC001205069380 1133522963 /nfs/dbraw/zinc/52/29/63/1133522963.db2.gz YRIBFSUZBMVLFM-LIRRHRJNSA-N 2 1 298.405 3.804 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cccc(-c2ccc(F)cc2)c1 ZINC001205069380 1133522966 /nfs/dbraw/zinc/52/29/66/1133522966.db2.gz YRIBFSUZBMVLFM-LIRRHRJNSA-N 2 1 298.405 3.804 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001205075251 1133523796 /nfs/dbraw/zinc/52/37/96/1133523796.db2.gz GHWKJYNHXUFVJC-KSSFIOAISA-N 2 1 298.405 3.804 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001205075251 1133523798 /nfs/dbraw/zinc/52/37/98/1133523798.db2.gz GHWKJYNHXUFVJC-KSSFIOAISA-N 2 1 298.405 3.804 20 0 CHADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc3c4ccccc4oc32)CC1 ZINC001205102443 1133529766 /nfs/dbraw/zinc/52/97/66/1133529766.db2.gz SGHGPJTYVOXPFC-HNNXBMFYSA-N 2 1 294.398 3.899 20 0 CHADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(-c3cccs3)cc2)CC1 ZINC001205109507 1133531274 /nfs/dbraw/zinc/53/12/74/1133531274.db2.gz HFWKSIBHFYBSFY-MRXNPFEDSA-N 2 1 286.444 3.728 20 0 CHADMP Cc1ccc(-c2cccc(C[N@H+]3CCC[C@H]([NH3+])CC3)c2)cc1 ZINC001205116953 1133531822 /nfs/dbraw/zinc/53/18/22/1133531822.db2.gz JZLIFMFSWIRZLE-FQEVSTJZSA-N 2 1 294.442 3.975 20 0 CHADMP Cc1ccc(-c2cccc(C[N@H+]3CCC[C@@H]([NH3+])CC3)c2)cc1 ZINC001205116954 1133532330 /nfs/dbraw/zinc/53/23/30/1133532330.db2.gz JZLIFMFSWIRZLE-HXUWFJFHSA-N 2 1 294.442 3.975 20 0 CHADMP COc1ccc2ccccc2c1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205266351 1133552706 /nfs/dbraw/zinc/55/27/06/1133552706.db2.gz TZOQMHIGRJMFMI-LJQANCHMSA-N 2 1 298.430 3.552 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205305006 1133556510 /nfs/dbraw/zinc/55/65/10/1133556510.db2.gz QMGOSBITWQJQGG-JSGCOSHPSA-N 2 1 288.460 3.626 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c2ccccc12 ZINC001205304330 1133556718 /nfs/dbraw/zinc/55/67/18/1133556718.db2.gz NUWMCCKRMYELIE-WMLDXEAASA-N 2 1 282.431 3.565 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)cc2)o1 ZINC001205303601 1133557525 /nfs/dbraw/zinc/55/75/25/1133557525.db2.gz IJGITNAXGOGKKA-KSSFIOAISA-N 2 1 298.430 3.672 20 0 CHADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1cccc(-c2ccsc2)c1 ZINC001205325130 1133561523 /nfs/dbraw/zinc/56/15/23/1133561523.db2.gz JVHJJJQSHPAFEC-AWEZNQCLSA-N 2 1 286.444 3.599 20 0 CHADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1cccc(-c2ccsc2)c1 ZINC001205325130 1133561527 /nfs/dbraw/zinc/56/15/27/1133561527.db2.gz JVHJJJQSHPAFEC-AWEZNQCLSA-N 2 1 286.444 3.599 20 0 CHADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(-c2cccs2)cc1 ZINC001205331024 1133562186 /nfs/dbraw/zinc/56/21/86/1133562186.db2.gz CPYVFRIIWCNKBJ-CQSZACIVSA-N 2 1 286.444 3.599 20 0 CHADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc(-c2cccs2)cc1 ZINC001205331024 1133562190 /nfs/dbraw/zinc/56/21/90/1133562190.db2.gz CPYVFRIIWCNKBJ-CQSZACIVSA-N 2 1 286.444 3.599 20 0 CHADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1CCCC(C)(C)C1 ZINC001205535086 1133586386 /nfs/dbraw/zinc/58/63/86/1133586386.db2.gz CXJRQIGAKOQHAV-MRXNPFEDSA-N 2 1 266.473 3.621 20 0 CHADMP C[C@@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)CC[C@@H]1C[NH3+] ZINC001205605048 1133593652 /nfs/dbraw/zinc/59/36/52/1133593652.db2.gz YTSRLAGPWLPZGD-GDBMZVCRSA-N 2 1 294.870 3.579 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2ccc3ccsc3c2)CC[C@H]1C[NH3+] ZINC001205637970 1133597164 /nfs/dbraw/zinc/59/71/64/1133597164.db2.gz KDQGLXFHTRXBFC-CJNGLKHVSA-N 2 1 288.460 3.708 20 0 CHADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC001205901485 1133628587 /nfs/dbraw/zinc/62/85/87/1133628587.db2.gz COPXMNWIPLKQDH-UZLBHIALSA-N 2 1 294.442 3.913 20 0 CHADMP C[C@H](CC[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C)CC(C)(C)C ZINC001205905162 1133629086 /nfs/dbraw/zinc/62/90/86/1133629086.db2.gz ZDNHALHDCWEQCT-ILXRZTDVSA-N 2 1 254.462 3.508 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1 ZINC001205915626 1133629686 /nfs/dbraw/zinc/62/96/86/1133629686.db2.gz QBHYTVOJOALMKM-NVXWUHKLSA-N 2 1 288.479 3.933 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1 ZINC001205915789 1133629733 /nfs/dbraw/zinc/62/97/33/1133629733.db2.gz QLXBTZZFQDXAMF-UONOGXRCSA-N 2 1 280.843 3.516 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](C[NH3+])[C@@H]3C)cc2)o1 ZINC001205916150 1133629891 /nfs/dbraw/zinc/62/98/91/1133629891.db2.gz SATSTEVUYZQQJB-YJBOKZPZSA-N 2 1 298.430 3.814 20 0 CHADMP CC(C)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC001205923089 1133630821 /nfs/dbraw/zinc/63/08/21/1133630821.db2.gz IJQOKQNCXRNYLE-KRWDZBQOSA-N 2 1 274.452 3.534 20 0 CHADMP [NH3+][C@@H]1CCCC[N@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001205930854 1133632795 /nfs/dbraw/zinc/63/27/95/1133632795.db2.gz DTRLHTCLQJNZLU-LJQANCHMSA-N 2 1 298.405 3.806 20 0 CHADMP [NH3+][C@@H]1CCCC[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001205930854 1133632799 /nfs/dbraw/zinc/63/27/99/1133632799.db2.gz DTRLHTCLQJNZLU-LJQANCHMSA-N 2 1 298.405 3.806 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205985133 1133638170 /nfs/dbraw/zinc/63/81/70/1133638170.db2.gz WFJWIJRIIXJOMK-BBWFWOEESA-N 2 1 266.473 3.676 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c2ccccc12 ZINC001205996536 1133639139 /nfs/dbraw/zinc/63/91/39/1133639139.db2.gz XDOKWXGKSQRODW-IAGOWNOFSA-N 2 1 296.458 3.955 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC001206056418 1133649973 /nfs/dbraw/zinc/64/99/73/1133649973.db2.gz REDLZZQQZUSKND-CAOSSQGBSA-N 2 1 254.462 3.521 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC001206056418 1133649979 /nfs/dbraw/zinc/64/99/79/1133649979.db2.gz REDLZZQQZUSKND-CAOSSQGBSA-N 2 1 254.462 3.521 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1ccccc1 ZINC001206085392 1133654937 /nfs/dbraw/zinc/65/49/37/1133654937.db2.gz WDVLVDVQDWLAQN-SJORKVTESA-N 2 1 276.468 3.718 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1ccccc1 ZINC001206085392 1133654939 /nfs/dbraw/zinc/65/49/39/1133654939.db2.gz WDVLVDVQDWLAQN-SJORKVTESA-N 2 1 276.468 3.718 20 0 CHADMP CC(C)C[C@H]1CCC[C@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C1 ZINC001206108120 1133658764 /nfs/dbraw/zinc/65/87/64/1133658764.db2.gz ATRWMYGMKIZRPZ-BBWFWOEESA-N 2 1 268.489 3.910 20 0 CHADMP CC(C)C[C@H]1CCC[C@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC001206108120 1133658766 /nfs/dbraw/zinc/65/87/66/1133658766.db2.gz ATRWMYGMKIZRPZ-BBWFWOEESA-N 2 1 268.489 3.910 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206188836 1133669527 /nfs/dbraw/zinc/66/95/27/1133669527.db2.gz VZVAGOMCYCUIMZ-IAGOWNOFSA-N 2 1 292.442 3.635 20 0 CHADMP CC[C@@H](Cc1cccs1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001206247377 1133675130 /nfs/dbraw/zinc/67/51/30/1133675130.db2.gz IHNAIZQTWVPKJM-AWEZNQCLSA-N 2 1 280.481 3.533 20 0 CHADMP CC[C@@H](Cc1cccs1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC001206247377 1133675132 /nfs/dbraw/zinc/67/51/32/1133675132.db2.gz IHNAIZQTWVPKJM-AWEZNQCLSA-N 2 1 280.481 3.533 20 0 CHADMP Cc1ccc(-c2cccc(C[N@H+]3CC[NH2+]C[C@@H](C)C3)c2)cc1 ZINC001206276218 1133680659 /nfs/dbraw/zinc/68/06/59/1133680659.db2.gz CHEIDIUQLBMPGV-QGZVFWFLSA-N 2 1 294.442 3.703 20 0 CHADMP Cc1ccc(-c2cccc(C[N@@H+]3CC[NH2+]C[C@@H](C)C3)c2)cc1 ZINC001206276218 1133680665 /nfs/dbraw/zinc/68/06/65/1133680665.db2.gz CHEIDIUQLBMPGV-QGZVFWFLSA-N 2 1 294.442 3.703 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc(C(F)F)c2)CC1 ZINC001206303611 1133686677 /nfs/dbraw/zinc/68/66/77/1133686677.db2.gz DWKKNUYDPBWPGZ-INIZCTEOSA-N 2 1 282.378 3.575 20 0 CHADMP CCc1cccc2c(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)c[nH]c21 ZINC001206304559 1133687014 /nfs/dbraw/zinc/68/70/14/1133687014.db2.gz MPIULCPOWOYSIZ-LJQANCHMSA-N 2 1 299.462 3.681 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(C(F)F)cc2)CC1 ZINC001206312040 1133687471 /nfs/dbraw/zinc/68/74/71/1133687471.db2.gz YGKIFXGJKZMBPJ-INIZCTEOSA-N 2 1 282.378 3.575 20 0 CHADMP CC(C)c1ccccc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206319112 1133688832 /nfs/dbraw/zinc/68/88/32/1133688832.db2.gz XRGPIOTYLRIUPP-SFHVURJKSA-N 2 1 274.452 3.761 20 0 CHADMP CCCCc1ccc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206360756 1133694303 /nfs/dbraw/zinc/69/43/03/1133694303.db2.gz ATBANBJYUCHLRI-SFHVURJKSA-N 2 1 292.442 3.682 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206360756 1133694306 /nfs/dbraw/zinc/69/43/06/1133694306.db2.gz ATBANBJYUCHLRI-SFHVURJKSA-N 2 1 292.442 3.682 20 0 CHADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc3c2CCCC3)C1 ZINC001206564996 1133719169 /nfs/dbraw/zinc/71/91/69/1133719169.db2.gz SGRMLRFJSXUCHU-IBGZPJMESA-N 2 1 286.463 3.516 20 0 CHADMP Cc1cc(Cl)cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206572101 1133719512 /nfs/dbraw/zinc/71/95/12/1133719512.db2.gz AUAQDKWPUBTYHK-INIZCTEOSA-N 2 1 280.843 3.599 20 0 CHADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001206572108 1133719719 /nfs/dbraw/zinc/71/97/19/1133719719.db2.gz AWJSYZOQKPYEIM-IBGZPJMESA-N 2 1 286.463 3.905 20 0 CHADMP CCc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC001206580557 1133721553 /nfs/dbraw/zinc/72/15/53/1133721553.db2.gz DZUZDYXTMNJOFP-GOSISDBHSA-N 2 1 274.452 3.602 20 0 CHADMP Cc1cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(C)s1 ZINC001206588546 1133722830 /nfs/dbraw/zinc/72/28/30/1133722830.db2.gz AZULUKVBPODXMH-MRXNPFEDSA-N 2 1 280.481 3.717 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206607247 1133726814 /nfs/dbraw/zinc/72/68/14/1133726814.db2.gz YPSTYLBKXNVGFG-LIMHQNJXSA-N 2 1 266.473 3.964 20 0 CHADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206761293 1133743009 /nfs/dbraw/zinc/74/30/09/1133743009.db2.gz WDAWPGXZMMHREV-GVDBMIGSSA-N 2 1 298.515 3.667 20 0 CHADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC001206767396 1133745504 /nfs/dbraw/zinc/74/55/04/1133745504.db2.gz AGYRDAVKDCYXLB-LSDHHAIUSA-N 2 1 284.403 3.506 20 0 CHADMP CC1=CC[C@@H](CC[NH+]2CCC([N@@H+](C)C3CC3)CC2)C1(C)C ZINC001207274976 1133785414 /nfs/dbraw/zinc/78/54/14/1133785414.db2.gz GSMAAIBODPOARN-INIZCTEOSA-N 2 1 290.495 3.928 20 0 CHADMP CC1=CC[C@@H](CC[N@@H+]2CCC3(C2)CC[NH+](C)CC3)C1(C)C ZINC001207274658 1133785943 /nfs/dbraw/zinc/78/59/43/1133785943.db2.gz DNZZRIMZOGBHAJ-KRWDZBQOSA-N 2 1 290.495 3.787 20 0 CHADMP Cc1ccccc1[C@@H]1CCC[N@@H+]1CC(C)(C)C[NH+](C)C ZINC001207278711 1133786696 /nfs/dbraw/zinc/78/66/96/1133786696.db2.gz CLAONHKMWOSRPN-KRWDZBQOSA-N 2 1 274.452 3.720 20 0 CHADMP C[NH+]1CCC(CC[N@@H+]2CC=C(c3ccccc3)CC2)CC1 ZINC001207486545 1133806366 /nfs/dbraw/zinc/80/63/66/1133806366.db2.gz KAAICMYVIBMZQE-UHFFFAOYSA-N 2 1 284.447 3.508 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@@H+]2CCC2CC[NH+](C)CC2)cc1 ZINC001207483020 1133806416 /nfs/dbraw/zinc/80/64/16/1133806416.db2.gz BXBWHBHUGNCQQH-IBGZPJMESA-N 2 1 286.463 3.864 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@@H+](C)CCC1CCCCCC1 ZINC001207738850 1133843704 /nfs/dbraw/zinc/84/37/04/1133843704.db2.gz ODOAIYJRATUHGH-UHFFFAOYSA-N 2 1 268.489 3.867 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)C[C@@H](C)c2ccccc2)CC1 ZINC001207913213 1133860847 /nfs/dbraw/zinc/86/08/47/1133860847.db2.gz HEFPWETVMDZHIJ-QGZVFWFLSA-N 2 1 288.479 3.986 20 0 CHADMP Cc1ccccc1[C@H]1CCC[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208109344 1133876514 /nfs/dbraw/zinc/87/65/14/1133876514.db2.gz JUHTYSZDQUTBOO-GOSISDBHSA-N 2 1 286.463 3.864 20 0 CHADMP CC[C@H]1c2ccccc2CC[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208109014 1133876843 /nfs/dbraw/zinc/87/68/43/1133876843.db2.gz JHUAGQYIZXRQHY-SFHVURJKSA-N 2 1 286.463 3.728 20 0 CHADMP CC1=C[C@@H](C)[C@H](C[NH+]2CCC([N@@H+](C)C3CC3)CC2)CC1 ZINC001208181395 1133901043 /nfs/dbraw/zinc/90/10/43/1133901043.db2.gz MBOPKHIVPSUOPX-CVEARBPZSA-N 2 1 276.468 3.537 20 0 CHADMP C[NH+](C)CC1(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)CCCC1 ZINC001208185679 1133901744 /nfs/dbraw/zinc/90/17/44/1133901744.db2.gz HOOJKBFXVTVCPT-IRXDYDNUSA-N 2 1 278.484 3.763 20 0 CHADMP C[NH+](C)CC1(C[N@H+](C)Cc2cccc(Cl)c2)CCCC1 ZINC001208191772 1133902574 /nfs/dbraw/zinc/90/25/74/1133902574.db2.gz PKBCACOLQIXKJD-UHFFFAOYSA-N 2 1 294.870 3.894 20 0 CHADMP C[NH+](C)CC1(C[N@@H+](C)Cc2cccc(Cl)c2)CCCC1 ZINC001208191772 1133902579 /nfs/dbraw/zinc/90/25/79/1133902579.db2.gz PKBCACOLQIXKJD-UHFFFAOYSA-N 2 1 294.870 3.894 20 0 CHADMP C[NH+](C)CC1(C[N@H+]2CCC[C@H]3CCCC[C@H]32)CCCC1 ZINC001208185678 1133902651 /nfs/dbraw/zinc/90/26/51/1133902651.db2.gz HOOJKBFXVTVCPT-IAGOWNOFSA-N 2 1 278.484 3.763 20 0 CHADMP CC[NH+]1CCC(C[N@H+](Cc2ccccc2)CC(C)C)CC1 ZINC001208592218 1133918045 /nfs/dbraw/zinc/91/80/45/1133918045.db2.gz FDZZTBDVIHKBKJ-UHFFFAOYSA-N 2 1 288.479 3.877 20 0 CHADMP CC[C@@H](c1ccccc1)[N@@H+](C)CC1CC[NH+](CC)CC1 ZINC001208601255 1133919165 /nfs/dbraw/zinc/91/91/65/1133919165.db2.gz LYCZMHPOYFDKIZ-SFHVURJKSA-N 2 1 274.452 3.801 20 0 CHADMP C[N@H+]1CCC[C@@H](CN2CCC[C@@H]2c2ccc(Cl)s2)C1 ZINC001208613262 1133919230 /nfs/dbraw/zinc/91/92/30/1133919230.db2.gz SWSUWLWZYVOLOC-CHWSQXEVSA-N 2 1 298.883 3.880 20 0 CHADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2c2ccc(Cl)s2)C1 ZINC001208613262 1133919238 /nfs/dbraw/zinc/91/92/38/1133919238.db2.gz SWSUWLWZYVOLOC-CHWSQXEVSA-N 2 1 298.883 3.880 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2c2ccc(Cl)s2)C1 ZINC001208613262 1133919240 /nfs/dbraw/zinc/91/92/40/1133919240.db2.gz SWSUWLWZYVOLOC-CHWSQXEVSA-N 2 1 298.883 3.880 20 0 CHADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2ccc(Cl)s2)C1 ZINC001208613262 1133919243 /nfs/dbraw/zinc/91/92/43/1133919243.db2.gz SWSUWLWZYVOLOC-CHWSQXEVSA-N 2 1 298.883 3.880 20 0 CHADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2ccc(Cl)s2)C1 ZINC001208613262 1133919246 /nfs/dbraw/zinc/91/92/46/1133919246.db2.gz SWSUWLWZYVOLOC-CHWSQXEVSA-N 2 1 298.883 3.880 20 0 CHADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](C3CCCCC3)C2)CC1 ZINC001208597093 1133919796 /nfs/dbraw/zinc/91/97/96/1133919796.db2.gz CIRLIDHDNBQHRI-GOSISDBHSA-N 2 1 278.484 3.621 20 0 CHADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H]2C2CCCCC2)CC1 ZINC001208601623 1133920395 /nfs/dbraw/zinc/92/03/95/1133920395.db2.gz OEORNRPGIKXENW-SFHVURJKSA-N 2 1 278.484 3.763 20 0 CHADMP C[N@@H+](C1CC1)C1CC[NH+](CC2(C)CCCCC2)CC1 ZINC001208902465 1133960513 /nfs/dbraw/zinc/96/05/13/1133960513.db2.gz JUVALEMBSUJASE-UHFFFAOYSA-N 2 1 264.457 3.515 20 0 CHADMP CC1(C)CCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208930896 1133963959 /nfs/dbraw/zinc/96/39/59/1133963959.db2.gz FWJZANNWKMMILZ-GOSISDBHSA-N 2 1 286.463 3.773 20 0 CHADMP CC1(C)CCC[N@H+]1C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001208930896 1133963944 /nfs/dbraw/zinc/96/39/44/1133963944.db2.gz FWJZANNWKMMILZ-GOSISDBHSA-N 2 1 286.463 3.773 20 0 CHADMP CC1(C)CCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208930896 1133963948 /nfs/dbraw/zinc/96/39/48/1133963948.db2.gz FWJZANNWKMMILZ-GOSISDBHSA-N 2 1 286.463 3.773 20 0 CHADMP CC1(C)CCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208930896 1133963951 /nfs/dbraw/zinc/96/39/51/1133963951.db2.gz FWJZANNWKMMILZ-GOSISDBHSA-N 2 1 286.463 3.773 20 0 CHADMP CC1(C)CCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208930896 1133963956 /nfs/dbraw/zinc/96/39/56/1133963956.db2.gz FWJZANNWKMMILZ-GOSISDBHSA-N 2 1 286.463 3.773 20 0 CHADMP CCC[N@@H+](CC)C[C@H]1CCCN(Cc2ccccc2)C1 ZINC001208929160 1133964019 /nfs/dbraw/zinc/96/40/19/1133964019.db2.gz OTMYVQIAWVQMST-GOSISDBHSA-N 2 1 274.452 3.631 20 0 CHADMP CCC[N@H+](CC)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208929160 1133964022 /nfs/dbraw/zinc/96/40/22/1133964022.db2.gz OTMYVQIAWVQMST-GOSISDBHSA-N 2 1 274.452 3.631 20 0 CHADMP CCC[N@@H+](CC)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208929160 1133964027 /nfs/dbraw/zinc/96/40/27/1133964027.db2.gz OTMYVQIAWVQMST-GOSISDBHSA-N 2 1 274.452 3.631 20 0 CHADMP CCC[NH+](CC)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208929160 1133964032 /nfs/dbraw/zinc/96/40/32/1133964032.db2.gz OTMYVQIAWVQMST-GOSISDBHSA-N 2 1 274.452 3.631 20 0 CHADMP CCC[NH+](CC)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208929160 1133964035 /nfs/dbraw/zinc/96/40/35/1133964035.db2.gz OTMYVQIAWVQMST-GOSISDBHSA-N 2 1 274.452 3.631 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCC4(CCC4)CC3)C2)cc1 ZINC001208940180 1133967872 /nfs/dbraw/zinc/96/78/72/1133967872.db2.gz AVXPZMKVHRNORC-IBGZPJMESA-N 2 1 298.474 3.775 20 0 CHADMP CC[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208935028 1133968288 /nfs/dbraw/zinc/96/82/88/1133968288.db2.gz HQFPGQZGKFGZAI-RTBURBONSA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208935028 1133968291 /nfs/dbraw/zinc/96/82/91/1133968291.db2.gz HQFPGQZGKFGZAI-RTBURBONSA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@@H]1CCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208935028 1133968292 /nfs/dbraw/zinc/96/82/92/1133968292.db2.gz HQFPGQZGKFGZAI-RTBURBONSA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@@H]1CCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208935028 1133968295 /nfs/dbraw/zinc/96/82/95/1133968295.db2.gz HQFPGQZGKFGZAI-RTBURBONSA-N 2 1 286.463 3.773 20 0 CHADMP CC[N@@H+](CCC[NH+]1CCCCC1)Cc1ccc(C)cc1 ZINC001209452204 1134024588 /nfs/dbraw/zinc/02/45/88/1134024588.db2.gz HKBKCMVZYXYNRT-UHFFFAOYSA-N 2 1 274.452 3.693 20 0 CHADMP Cc1cc(C[NH+]2CC(C[NH3+])C2)cc(C)c1-c1ccc(F)cc1 ZINC001210546715 1134244740 /nfs/dbraw/zinc/24/47/40/1134244740.db2.gz ZOEVBEFHUMLVIN-UHFFFAOYSA-N 2 1 298.405 3.500 20 0 CHADMP C[NH2+]Cc1ccc(Nc2cccc3cc[nH+]cc32)cc1 ZINC001211129658 1134375753 /nfs/dbraw/zinc/37/57/53/1134375753.db2.gz SNAVSKMQADVDOS-UHFFFAOYSA-N 2 1 263.344 3.698 20 0 CHADMP CCCC[C@H](C)Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001218222410 1135070571 /nfs/dbraw/zinc/07/05/71/1135070571.db2.gz CDJPGLVOSCSPQF-HNNXBMFYSA-N 2 1 290.451 3.567 20 0 CHADMP CC(C)[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000309590885 1135081713 /nfs/dbraw/zinc/08/17/13/1135081713.db2.gz GEUUUMDIRQKATA-UHFFFAOYSA-N 2 1 294.442 3.743 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309636972 1135090106 /nfs/dbraw/zinc/09/01/06/1135090106.db2.gz ABMMXQFYVWQLAE-NEWSRXKRSA-N 2 1 286.463 3.677 20 0 CHADMP CC(C)CCC[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222155169 1135200509 /nfs/dbraw/zinc/20/05/09/1135200509.db2.gz XBZSKDFPWFNUKM-KRWDZBQOSA-N 2 1 266.473 3.668 20 0 CHADMP Cc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc(C)c1Cl ZINC001222153992 1135200554 /nfs/dbraw/zinc/20/05/54/1135200554.db2.gz FCOANJIJMWQXLE-QGZVFWFLSA-N 2 1 292.854 3.532 20 0 CHADMP Cc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc(C)c1Cl ZINC001222153992 1135200556 /nfs/dbraw/zinc/20/05/56/1135200556.db2.gz FCOANJIJMWQXLE-QGZVFWFLSA-N 2 1 292.854 3.532 20 0 CHADMP FC(F)(F)CCC[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222155289 1135200616 /nfs/dbraw/zinc/20/06/16/1135200616.db2.gz ZEWAUBURJIHYAY-AWEZNQCLSA-N 2 1 292.389 3.575 20 0 CHADMP C(C1CCCCC1)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222154071 1135201179 /nfs/dbraw/zinc/20/11/79/1135201179.db2.gz FDUAEGYVBDJNHZ-SFHVURJKSA-N 2 1 278.484 3.813 20 0 CHADMP CC1=CC[C@@H](CC[NH+]2CCC3(CCCC[NH2+]3)CC2)C1(C)C ZINC001222288355 1135218825 /nfs/dbraw/zinc/21/88/25/1135218825.db2.gz XSPAJZPRUYBGDM-KRWDZBQOSA-N 2 1 290.495 3.977 20 0 CHADMP CCCc1ccc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)s1 ZINC001222292904 1135219581 /nfs/dbraw/zinc/21/95/81/1135219581.db2.gz MCHLFJSESNTQOX-UHFFFAOYSA-N 2 1 292.492 3.809 20 0 CHADMP c1ccc2cc(C[N@H+]3CCC[C@]34CCC[NH2+]CC4)ccc2c1 ZINC001222308361 1135221277 /nfs/dbraw/zinc/22/12/77/1135221277.db2.gz IZUXHXGTQIJXPP-FQEVSTJZSA-N 2 1 294.442 3.948 20 0 CHADMP Cc1cccc2c(C[N@H+]3CCC[C@@]34CCC[NH2+]CC4)c[nH]c21 ZINC001222310341 1135223061 /nfs/dbraw/zinc/22/30/61/1135223061.db2.gz TVSPFUCXNULKNN-LJQANCHMSA-N 2 1 297.446 3.584 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c(C)c1 ZINC001222310818 1135223135 /nfs/dbraw/zinc/22/31/35/1135223135.db2.gz WFJTZESMPSLLCP-LJQANCHMSA-N 2 1 286.463 3.720 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1C ZINC001222314227 1135224275 /nfs/dbraw/zinc/22/42/75/1135224275.db2.gz DBXKZRXZKKAJBC-LJQANCHMSA-N 2 1 286.463 3.720 20 0 CHADMP c1cc2cccc(C[N@H+]3CCC[C@]34CCC[NH2+]CC4)c2o1 ZINC001222321314 1135225101 /nfs/dbraw/zinc/22/51/01/1135225101.db2.gz SONXUMRHTKRBMD-SFHVURJKSA-N 2 1 284.403 3.541 20 0 CHADMP Fc1cc(Cl)cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222316214 1135225138 /nfs/dbraw/zinc/22/51/38/1135225138.db2.gz UPODMXTZXMXONX-MRXNPFEDSA-N 2 1 296.817 3.587 20 0 CHADMP Fc1cc(Cl)cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222316214 1135225143 /nfs/dbraw/zinc/22/51/43/1135225143.db2.gz UPODMXTZXMXONX-MRXNPFEDSA-N 2 1 296.817 3.587 20 0 CHADMP Fc1cc(Cl)cc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222316212 1135225644 /nfs/dbraw/zinc/22/56/44/1135225644.db2.gz UPODMXTZXMXONX-INIZCTEOSA-N 2 1 296.817 3.587 20 0 CHADMP Fc1cc(Cl)cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222316212 1135225646 /nfs/dbraw/zinc/22/56/46/1135225646.db2.gz UPODMXTZXMXONX-INIZCTEOSA-N 2 1 296.817 3.587 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222344637 1135230230 /nfs/dbraw/zinc/23/02/30/1135230230.db2.gz BBJMYDKSQUROOX-MSOLQXFVSA-N 2 1 278.484 3.977 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222344637 1135230233 /nfs/dbraw/zinc/23/02/33/1135230233.db2.gz BBJMYDKSQUROOX-MSOLQXFVSA-N 2 1 278.484 3.977 20 0 CHADMP CC/C=C\CCCCC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222420475 1135239410 /nfs/dbraw/zinc/23/94/10/1135239410.db2.gz DBDHLWFDAGZMQP-LIMHQNJXSA-N 2 1 264.457 3.731 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222420475 1135239415 /nfs/dbraw/zinc/23/94/15/1135239415.db2.gz DBDHLWFDAGZMQP-LIMHQNJXSA-N 2 1 264.457 3.731 20 0 CHADMP c1ccc(-c2ccccc2C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001222620304 1135256826 /nfs/dbraw/zinc/25/68/26/1135256826.db2.gz LZCCRMJWDAQISL-FXAWDEMLSA-N 2 1 292.426 3.537 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222629491 1135257401 /nfs/dbraw/zinc/25/74/01/1135257401.db2.gz JOFIARDFSGUZMB-HDICACEKSA-N 2 1 294.442 3.580 20 0 CHADMP CCc1ccc([C@@H]([NH2+]CCn2cc[nH+]c2C)C(C)C)cc1 ZINC000346302272 529711981 /nfs/dbraw/zinc/71/19/81/529711981.db2.gz BCOZFZBZHKMOOB-SFHVURJKSA-N 2 1 285.435 3.741 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)[C@H]2CCC[C@H]21 ZINC000353688038 529806663 /nfs/dbraw/zinc/80/66/63/529806663.db2.gz NVAQHLLNIYEDMM-CEXWTWQISA-N 2 1 284.447 3.526 20 0 CHADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(C(F)F)cc2)CC1 ZINC000336492529 530051096 /nfs/dbraw/zinc/05/10/96/530051096.db2.gz LHPWMLIAIDSSHR-UHFFFAOYSA-N 2 1 294.389 3.684 20 0 CHADMP C[N@@H+](CCCCNc1nccc2cc(F)ccc21)C1CC1 ZINC000574315822 335009489 /nfs/dbraw/zinc/00/94/89/335009489.db2.gz CGBMPRUJSMRJCT-UHFFFAOYSA-N 2 1 287.382 3.660 20 0 CHADMP C[N@H+](CCCCNc1[nH+]ccc2cc(F)ccc21)C1CC1 ZINC000574315822 335009490 /nfs/dbraw/zinc/00/94/90/335009490.db2.gz CGBMPRUJSMRJCT-UHFFFAOYSA-N 2 1 287.382 3.660 20 0 CHADMP C[N@@H+](CCCCNc1[nH+]ccc2cc(F)ccc21)C1CC1 ZINC000574315822 335009491 /nfs/dbraw/zinc/00/94/91/335009491.db2.gz CGBMPRUJSMRJCT-UHFFFAOYSA-N 2 1 287.382 3.660 20 0 CHADMP CCCc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000322948098 260024115 /nfs/dbraw/zinc/02/41/15/260024115.db2.gz RZARYWAOIMUSBJ-AQXGTKIOSA-N 2 1 286.463 3.915 20 0 CHADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(Cl)c(Cl)c1 ZINC000342095295 130256889 /nfs/dbraw/zinc/25/68/89/130256889.db2.gz FWOBNKGCOLLVCX-SECBINFHSA-N 2 1 273.207 3.525 20 0 CHADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000020189222 171054057 /nfs/dbraw/zinc/05/40/57/171054057.db2.gz MZBGQSORNZHJHD-INIZCTEOSA-N 2 1 290.476 3.686 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@H](CC)c2cccs2)CC1 ZINC000020190128 171056592 /nfs/dbraw/zinc/05/65/92/171056592.db2.gz VBPYCKAVQQWLQT-CQSZACIVSA-N 2 1 266.454 3.663 20 0 CHADMP C[C@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1)C[NH+]1CCCCC1 ZINC000038041689 174043655 /nfs/dbraw/zinc/04/36/55/174043655.db2.gz XBEZWGPSDIFWBF-KGLIPLIRSA-N 2 1 296.405 3.737 20 0 CHADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000192926616 227385982 /nfs/dbraw/zinc/38/59/82/227385982.db2.gz IVOUAYIJSVJHHE-NZSAHSFTSA-N 2 1 286.463 3.677 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CC[C@H](C[NH3+])C3)s2)cc1 ZINC000347067992 226011749 /nfs/dbraw/zinc/01/17/49/226011749.db2.gz NGJOYBVJDFWJMG-CQSZACIVSA-N 2 1 286.444 3.504 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@H](C[NH3+])C3)s2)cc1 ZINC000347067989 226011828 /nfs/dbraw/zinc/01/18/28/226011828.db2.gz NGJOYBVJDFWJMG-AWEZNQCLSA-N 2 1 286.444 3.504 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000348810693 226515447 /nfs/dbraw/zinc/51/54/47/226515447.db2.gz RSKAIRDBFNLURR-UHFFFAOYSA-N 2 1 297.446 3.727 20 0 CHADMP C[C@@H]1CCCC[C@@H]1CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352778579 227213389 /nfs/dbraw/zinc/21/33/89/227213389.db2.gz VTEFCFDEMNYVMY-ZIAGYGMSSA-N 2 1 295.496 3.511 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(C2CCC2)cc1 ZINC000353511965 228112250 /nfs/dbraw/zinc/11/22/50/228112250.db2.gz BXKSHCGHXOQXBZ-UHFFFAOYSA-N 2 1 297.446 3.981 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(C2CCC2)cc1 ZINC000353511965 228112253 /nfs/dbraw/zinc/11/22/53/228112253.db2.gz BXKSHCGHXOQXBZ-UHFFFAOYSA-N 2 1 297.446 3.981 20 0 CHADMP Cc1ccc(CCC[N@H+](C)[C@H]2CCC[C@H](C)C2)cn1 ZINC000353380765 228093312 /nfs/dbraw/zinc/09/33/12/228093312.db2.gz LHNLUTJZTIOTBP-YOEHRIQHSA-N 2 1 260.425 3.833 20 0 CHADMP CC(C)[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000037318649 260086500 /nfs/dbraw/zinc/08/65/00/260086500.db2.gz ZEEZRTXGINLMST-GOSISDBHSA-N 2 1 272.436 3.600 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H]1CCC[C@H](C)C1 ZINC000516815293 260132852 /nfs/dbraw/zinc/13/28/52/260132852.db2.gz MRPMABHELFKDTB-IRXDYDNUSA-N 2 1 291.483 3.984 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H]1CCC[C@H](C)C1 ZINC000516815293 260132854 /nfs/dbraw/zinc/13/28/54/260132854.db2.gz MRPMABHELFKDTB-IRXDYDNUSA-N 2 1 291.483 3.984 20 0 CHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCc2occc21 ZINC000093514256 260290477 /nfs/dbraw/zinc/29/04/77/260290477.db2.gz OKBFNAWTCBHTCJ-IJEWVQPXSA-N 2 1 276.424 3.557 20 0 CHADMP C[C@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000126540582 260353973 /nfs/dbraw/zinc/35/39/73/260353973.db2.gz OVBOQTJATACSEQ-DOXZYTNZSA-N 2 1 284.447 3.699 20 0 CHADMP CC[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(Cl)s1 ZINC000518211740 260357009 /nfs/dbraw/zinc/35/70/09/260357009.db2.gz JOMKFCQXKLJIFD-LBPRGKRZSA-N 2 1 297.855 3.809 20 0 CHADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000128422937 260375257 /nfs/dbraw/zinc/37/52/57/260375257.db2.gz UDAMMYBYMKZGJB-CQSZACIVSA-N 2 1 288.357 3.511 20 0 CHADMP CCc1ccc([C@H](CC)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000130184992 260392898 /nfs/dbraw/zinc/39/28/98/260392898.db2.gz TWIUJSLQGCJUBT-OTWHNJEPSA-N 2 1 286.463 3.917 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000514082471 261198722 /nfs/dbraw/zinc/19/87/22/261198722.db2.gz GZUHVOSNFOUURA-CQSZACIVSA-N 2 1 298.421 3.606 20 0 CHADMP Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc[nH+]1 ZINC000302545944 261353861 /nfs/dbraw/zinc/35/38/61/261353861.db2.gz GXDZYMVGNYOAJX-VQIMIIECSA-N 2 1 295.430 3.855 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000164653843 261356461 /nfs/dbraw/zinc/35/64/61/261356461.db2.gz WJXKEHDQLUYAGJ-LBPRGKRZSA-N 2 1 293.361 3.601 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCC2 ZINC000166050520 261381780 /nfs/dbraw/zinc/38/17/80/261381780.db2.gz ZYUHZNFVESPDLV-IBGZPJMESA-N 2 1 284.447 3.589 20 0 CHADMP C[C@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccoc1 ZINC000309729141 262007472 /nfs/dbraw/zinc/00/74/72/262007472.db2.gz OKVNALBFFCDKKO-LPHOPBHVSA-N 2 1 298.430 3.842 20 0 CHADMP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccoc1 ZINC000309729141 262007474 /nfs/dbraw/zinc/00/74/74/262007474.db2.gz OKVNALBFFCDKKO-LPHOPBHVSA-N 2 1 298.430 3.842 20 0 CHADMP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cccc(F)c1 ZINC000019230743 262173998 /nfs/dbraw/zinc/17/39/98/262173998.db2.gz CCJWVKXTQUREDR-HNNXBMFYSA-N 2 1 278.415 3.598 20 0 CHADMP CCCC[C@H](CC)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000514088514 262185366 /nfs/dbraw/zinc/18/53/66/262185366.db2.gz LYSRCWLHOKGHFS-NXOAAHMSSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000390530880 262209627 /nfs/dbraw/zinc/20/96/27/262209627.db2.gz DRGLFUIYVRUDOC-MAUKXSAKSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000390530880 262209630 /nfs/dbraw/zinc/20/96/30/262209630.db2.gz DRGLFUIYVRUDOC-MAUKXSAKSA-N 2 1 286.463 3.675 20 0 CHADMP CC(C)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390612296 262228953 /nfs/dbraw/zinc/22/89/53/262228953.db2.gz XDDNSEBTLWPWIE-FUHWJXTLSA-N 2 1 288.479 3.921 20 0 CHADMP CC(C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390612296 262228954 /nfs/dbraw/zinc/22/89/54/262228954.db2.gz XDDNSEBTLWPWIE-FUHWJXTLSA-N 2 1 288.479 3.921 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H]1C ZINC000390692810 262241141 /nfs/dbraw/zinc/24/11/41/262241141.db2.gz QKEURAFBGKYIMT-NHJFUUOTSA-N 2 1 298.474 3.816 20 0 CHADMP CCC(CC)[C@H]([NH2+]Cc1c[nH]cn1)c1ccccc1 ZINC000054764826 262272678 /nfs/dbraw/zinc/27/26/78/262272678.db2.gz GPZXZZNZMSRLTP-INIZCTEOSA-N 2 1 257.381 3.677 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C)cc1 ZINC000221744431 262294171 /nfs/dbraw/zinc/29/41/71/262294171.db2.gz MMZSTQMJWWLDQV-XIRDDKMYSA-N 2 1 260.425 3.518 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C)cc1 ZINC000221744431 262294172 /nfs/dbraw/zinc/29/41/72/262294172.db2.gz MMZSTQMJWWLDQV-XIRDDKMYSA-N 2 1 260.425 3.518 20 0 CHADMP Cc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc12 ZINC000414205091 262818342 /nfs/dbraw/zinc/81/83/42/262818342.db2.gz CLBIHTSJJMFESF-UHFFFAOYSA-N 2 1 294.442 3.865 20 0 CHADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(Cl)c1F ZINC000274049763 263021127 /nfs/dbraw/zinc/02/11/27/263021127.db2.gz LALHSBYMNDZSAX-HNNXBMFYSA-N 2 1 296.817 3.782 20 0 CHADMP Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414668492 263026207 /nfs/dbraw/zinc/02/62/07/263026207.db2.gz AAZXCONRAZYAHN-NUJGCVRESA-N 2 1 272.436 3.520 20 0 CHADMP CC[N@@H+](Cc1ccc(Cl)cc1C)[C@H]1CCC[NH2+]CC1 ZINC000414719287 263034534 /nfs/dbraw/zinc/03/45/34/263034534.db2.gz UVMXDYFZDZDPJQ-INIZCTEOSA-N 2 1 280.843 3.612 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CCC[C@H](CC[NH3+])C2)C1 ZINC000414746257 263037323 /nfs/dbraw/zinc/03/73/23/263037323.db2.gz YUDYIFAASXFGMA-QRQLOZEOSA-N 2 1 286.463 3.558 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000414756988 263039474 /nfs/dbraw/zinc/03/94/74/263039474.db2.gz WMXMADWAVJZLSY-HNNXBMFYSA-N 2 1 280.843 3.531 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000414817864 263054046 /nfs/dbraw/zinc/05/40/46/263054046.db2.gz UAGKSOUJVOMYLV-SWLSCSKDSA-N 2 1 268.832 3.551 20 0 CHADMP C[C@@H](CCc1ccccc1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414838362 263057521 /nfs/dbraw/zinc/05/75/21/263057521.db2.gz KMKMBQXGEIDMQP-MAUKXSAKSA-N 2 1 274.452 3.505 20 0 CHADMP [NH3+]C1(C[NH2+]C/C=C/c2ccc(F)cc2F)CCCCCC1 ZINC000414857524 263074210 /nfs/dbraw/zinc/07/42/10/263074210.db2.gz DRCRQHRWQSIATA-AATRIKPKSA-N 2 1 294.389 3.619 20 0 CHADMP [NH3+]C1(C[NH2+]C/C=C\c2ccc(F)cc2F)CCCCCC1 ZINC000414857525 263074254 /nfs/dbraw/zinc/07/42/54/263074254.db2.gz DRCRQHRWQSIATA-WAYWQWQTSA-N 2 1 294.389 3.619 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000453116071 263190767 /nfs/dbraw/zinc/19/07/67/263190767.db2.gz XRHPIZQIATUCSR-QAPCUYQASA-N 2 1 278.484 3.665 20 0 CHADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)CC[N@@H+]1C ZINC000453285066 263219470 /nfs/dbraw/zinc/21/94/70/263219470.db2.gz LMUVNNCAPBSFOY-XUXIUFHCSA-N 2 1 292.389 3.570 20 0 CHADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)CC[N@H+]1C ZINC000453285066 263219472 /nfs/dbraw/zinc/21/94/72/263219472.db2.gz LMUVNNCAPBSFOY-XUXIUFHCSA-N 2 1 292.389 3.570 20 0 CHADMP C[C@@H](C[NH2+][C@@H](C[NH3+])C1CCCC1)c1cccc(Cl)c1 ZINC000415061308 263257124 /nfs/dbraw/zinc/25/71/24/263257124.db2.gz CGTHDBKJTXRNET-LRDDRELGSA-N 2 1 280.843 3.551 20 0 CHADMP FC(F)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415034770 263257205 /nfs/dbraw/zinc/25/72/05/263257205.db2.gz DBMGOTMTJCXNAY-HZPDHXFCSA-N 2 1 294.389 3.588 20 0 CHADMP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1Cl ZINC000415060159 263259073 /nfs/dbraw/zinc/25/90/73/263259073.db2.gz YFIWACCCDQSLNV-WBVHZDCISA-N 2 1 292.854 3.612 20 0 CHADMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1Cl ZINC000415060159 263259075 /nfs/dbraw/zinc/25/90/75/263259075.db2.gz YFIWACCCDQSLNV-WBVHZDCISA-N 2 1 292.854 3.612 20 0 CHADMP CCc1ccccc1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415084916 263268669 /nfs/dbraw/zinc/26/86/69/263268669.db2.gz PFEOUKHXRSPGME-VQTJNVASSA-N 2 1 294.442 3.832 20 0 CHADMP CCc1ccccc1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415084918 263268820 /nfs/dbraw/zinc/26/88/20/263268820.db2.gz PFEOUKHXRSPGME-WOJBJXKFSA-N 2 1 294.442 3.832 20 0 CHADMP C/C(=C/c1ccccc1)C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000518812527 263282295 /nfs/dbraw/zinc/28/22/95/263282295.db2.gz SAVYZLKFTBMKIH-UVQBRAAOSA-N 2 1 283.419 3.521 20 0 CHADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000070169644 264225504 /nfs/dbraw/zinc/22/55/04/264225504.db2.gz ANHLIRNKRLZMRJ-LLVKDONJSA-N 2 1 287.234 3.554 20 0 CHADMP Cc1ccc2cc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)oc2c1 ZINC000425958309 264226503 /nfs/dbraw/zinc/22/65/03/264226503.db2.gz MLQKGBKIBIQABS-KBPBESRZSA-N 2 1 274.408 3.732 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000131997620 264378132 /nfs/dbraw/zinc/37/81/32/264378132.db2.gz DTYJDRJTHAYELH-WDEREUQCSA-N 2 1 287.234 3.644 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3c(C)ccc(C)c32)C1 ZINC000349812022 265208867 /nfs/dbraw/zinc/20/88/67/265208867.db2.gz JQHWPLAYBROSOM-SJLPKXTDSA-N 2 1 286.463 3.612 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(F)F)cc2)[C@@H]2CCC[C@H]21 ZINC000367591926 267103156 /nfs/dbraw/zinc/10/31/56/267103156.db2.gz AHKYQSPZGAUVOT-HRCADAONSA-N 2 1 294.389 3.587 20 0 CHADMP C/C(=C\c1ccccc1)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000370121601 267292956 /nfs/dbraw/zinc/29/29/56/267292956.db2.gz LCAPYMSQMPBPKS-FOWTUZBSSA-N 2 1 284.447 3.696 20 0 CHADMP CC[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000531691487 328024750 /nfs/dbraw/zinc/02/47/50/328024750.db2.gz NFKQCVMBGMJCCK-HOTGVXAUSA-N 2 1 274.452 3.807 20 0 CHADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc3ccccc3o2)C1 ZINC000531756901 328032220 /nfs/dbraw/zinc/03/22/20/328032220.db2.gz WBMGHZYRVHLSNB-MRXNPFEDSA-N 2 1 298.430 3.597 20 0 CHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc3ccccc3o2)C1 ZINC000531756901 328032221 /nfs/dbraw/zinc/03/22/21/328032221.db2.gz WBMGHZYRVHLSNB-MRXNPFEDSA-N 2 1 298.430 3.597 20 0 CHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000531756901 328032222 /nfs/dbraw/zinc/03/22/22/328032222.db2.gz WBMGHZYRVHLSNB-MRXNPFEDSA-N 2 1 298.430 3.597 20 0 CHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000531756901 328032223 /nfs/dbraw/zinc/03/22/23/328032223.db2.gz WBMGHZYRVHLSNB-MRXNPFEDSA-N 2 1 298.430 3.597 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1C(C)(C)C ZINC000534353147 328048309 /nfs/dbraw/zinc/04/83/09/328048309.db2.gz PNKIVLVYJXORCQ-HOTGVXAUSA-N 2 1 288.479 3.977 20 0 CHADMP C[C@H](c1cc2ccccc2o1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000565164434 328057239 /nfs/dbraw/zinc/05/72/39/328057239.db2.gz MVTJFZHOESJPGZ-CQSZACIVSA-N 2 1 297.402 3.792 20 0 CHADMP C[C@H](c1cc2ccccc2o1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000565164434 328057241 /nfs/dbraw/zinc/05/72/41/328057241.db2.gz MVTJFZHOESJPGZ-CQSZACIVSA-N 2 1 297.402 3.792 20 0 CHADMP CCC[N@H+](CCCc1c[nH+]cn1C)[C@@H]1CCc2ccccc21 ZINC000563353155 328057478 /nfs/dbraw/zinc/05/74/78/328057478.db2.gz AWWNABRMARMFMR-LJQANCHMSA-N 2 1 297.446 3.752 20 0 CHADMP CCC[N@@H+](CCCc1c[nH+]cn1C)[C@@H]1CCc2ccccc21 ZINC000563353155 328057480 /nfs/dbraw/zinc/05/74/80/328057480.db2.gz AWWNABRMARMFMR-LJQANCHMSA-N 2 1 297.446 3.752 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000563355076 328057705 /nfs/dbraw/zinc/05/77/05/328057705.db2.gz LXYRMOACMNNQGE-ZDUSSCGKSA-N 2 1 291.826 3.699 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000563355076 328057707 /nfs/dbraw/zinc/05/77/07/328057707.db2.gz LXYRMOACMNNQGE-ZDUSSCGKSA-N 2 1 291.826 3.699 20 0 CHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000401827093 328069206 /nfs/dbraw/zinc/06/92/06/328069206.db2.gz HYNPZAHKPYDMDZ-HUUCEWRRSA-N 2 1 277.456 3.547 20 0 CHADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000571514275 328130006 /nfs/dbraw/zinc/13/00/06/328130006.db2.gz JNGFRRIHGSNXPN-FHWLQOOXSA-N 2 1 278.399 3.717 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2C(C)(C)C)[C@@H](C)C1 ZINC000414309075 328154385 /nfs/dbraw/zinc/15/43/85/328154385.db2.gz UKHHNVYVKVLABA-XUWVNRHRSA-N 2 1 266.473 3.521 20 0 CHADMP C[N@@H+](CCCC[NH2+]Cc1ccc(C(F)F)cc1)C1CC1 ZINC000582708029 329133112 /nfs/dbraw/zinc/13/31/12/329133112.db2.gz QCXXYNPKFSPWKB-UHFFFAOYSA-N 2 1 282.378 3.588 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@@H](C)c2c1cccc2C ZINC000271150734 328195608 /nfs/dbraw/zinc/19/56/08/328195608.db2.gz QJABCIXUZTXYFT-RHSMWYFYSA-N 2 1 283.419 3.728 20 0 CHADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC2CCC(c3ccccc3)CC2)C1 ZINC000414655067 328208677 /nfs/dbraw/zinc/20/86/77/328208677.db2.gz CTHCBFGCRYDQSE-JVDULTGUSA-N 2 1 286.463 3.630 20 0 CHADMP C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](CCC[NH3+])C1CC1 ZINC000414751209 328219326 /nfs/dbraw/zinc/21/93/26/328219326.db2.gz SHHUFLABQMISKJ-NSHDSACASA-N 2 1 286.341 3.580 20 0 CHADMP C[N@@H+]([C@@H]1CC[C@](C)(c2ccccc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC000414754746 328220257 /nfs/dbraw/zinc/22/02/57/328220257.db2.gz SCZHGSWZSQHRDX-QRVBRYPASA-N 2 1 286.463 3.571 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(C2CC2)c1 ZINC000293753408 328277470 /nfs/dbraw/zinc/27/74/70/328277470.db2.gz OHLFHSBGDZCMHY-KYNGSXCRSA-N 2 1 284.447 3.841 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(C2CC2)c1 ZINC000293753412 328277592 /nfs/dbraw/zinc/27/75/92/328277592.db2.gz OHLFHSBGDZCMHY-ZOCIIQOWSA-N 2 1 284.447 3.841 20 0 CHADMP Cc1ccccc1CC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415083084 328302716 /nfs/dbraw/zinc/30/27/16/328302716.db2.gz FEHOMFQQPGGVDP-WOJBJXKFSA-N 2 1 294.442 3.620 20 0 CHADMP CCSc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000534496746 328304729 /nfs/dbraw/zinc/30/47/29/328304729.db2.gz VAICCWUGKMOYHX-CABCVRRESA-N 2 1 292.492 3.791 20 0 CHADMP c1ccc([C@@H](CC2CC2)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000531937764 328319704 /nfs/dbraw/zinc/31/97/04/328319704.db2.gz UDHUOACEFPSEIX-QFBILLFUSA-N 2 1 284.447 3.602 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)C1 ZINC000534973201 328372404 /nfs/dbraw/zinc/37/24/04/328372404.db2.gz BZPBISDWAUXOKP-SUMWQHHRSA-N 2 1 292.854 3.649 20 0 CHADMP CC[C@@H]1C[N@H+](CCn2cc[nH+]c2C)CC[C@@H]1c1ccccc1 ZINC000534954097 328373549 /nfs/dbraw/zinc/37/35/49/328373549.db2.gz JUCDGAXEQVNTRT-MJGOQNOKSA-N 2 1 297.446 3.707 20 0 CHADMP CC[C@@H]1C[N@@H+](CCn2cc[nH+]c2C)CC[C@@H]1c1ccccc1 ZINC000534954097 328373551 /nfs/dbraw/zinc/37/35/51/328373551.db2.gz JUCDGAXEQVNTRT-MJGOQNOKSA-N 2 1 297.446 3.707 20 0 CHADMP CCCC1CCC([NH2+][C@H](C)C[NH+](CC)CC)CC1 ZINC000045691742 326943899 /nfs/dbraw/zinc/94/38/99/326943899.db2.gz QGVVOVPJIGIOKK-QQFBHYJXSA-N 2 1 254.462 3.665 20 0 CHADMP CCCC[C@H](C)[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000558160311 327076450 /nfs/dbraw/zinc/07/64/50/327076450.db2.gz ZMJJNPUPGHHFRO-BFZKSOEOSA-N 2 1 266.473 3.806 20 0 CHADMP CCCC[C@H](C)[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000558160311 327076452 /nfs/dbraw/zinc/07/64/52/327076452.db2.gz ZMJJNPUPGHHFRO-BFZKSOEOSA-N 2 1 266.473 3.806 20 0 CHADMP C[C@H]1C[N@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000262047296 327088519 /nfs/dbraw/zinc/08/85/19/327088519.db2.gz CNCILXXYNZUJBF-HNAYVOBHSA-N 2 1 296.414 3.648 20 0 CHADMP C[C@H]1C[N@@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000262047296 327088521 /nfs/dbraw/zinc/08/85/21/327088521.db2.gz CNCILXXYNZUJBF-HNAYVOBHSA-N 2 1 296.414 3.648 20 0 CHADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000558499849 327098766 /nfs/dbraw/zinc/09/87/66/327098766.db2.gz BYIMFULDXBEMJG-KGLIPLIRSA-N 2 1 298.421 3.604 20 0 CHADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000558499849 327098764 /nfs/dbraw/zinc/09/87/64/327098764.db2.gz BYIMFULDXBEMJG-KGLIPLIRSA-N 2 1 298.421 3.604 20 0 CHADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000558508928 327100071 /nfs/dbraw/zinc/10/00/71/327100071.db2.gz KAMKAKQQMHLMQR-ZIAGYGMSSA-N 2 1 298.421 3.604 20 0 CHADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000558508928 327100072 /nfs/dbraw/zinc/10/00/72/327100072.db2.gz KAMKAKQQMHLMQR-ZIAGYGMSSA-N 2 1 298.421 3.604 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000558699252 327115454 /nfs/dbraw/zinc/11/54/54/327115454.db2.gz FTBHGLNHBZOLKW-OTWHNJEPSA-N 2 1 286.463 3.805 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000559259460 327151421 /nfs/dbraw/zinc/15/14/21/327151421.db2.gz YNUMLLCOCLRQFP-KRWDZBQOSA-N 2 1 286.463 3.776 20 0 CHADMP CCC(CC)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000409444756 327161790 /nfs/dbraw/zinc/16/17/90/327161790.db2.gz XYJBAXWPOOVAIH-IBGZPJMESA-N 2 1 288.479 3.877 20 0 CHADMP CCC(CC)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000409444756 327161791 /nfs/dbraw/zinc/16/17/91/327161791.db2.gz XYJBAXWPOOVAIH-IBGZPJMESA-N 2 1 288.479 3.877 20 0 CHADMP CCC(CC)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000409444756 327161792 /nfs/dbraw/zinc/16/17/92/327161792.db2.gz XYJBAXWPOOVAIH-IBGZPJMESA-N 2 1 288.479 3.877 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC(C)(C)C)C[C@@H]1C ZINC000410397438 327191717 /nfs/dbraw/zinc/19/17/17/327191717.db2.gz ZZSKXPVOGJPHQM-LSDHHAIUSA-N 2 1 254.462 3.617 20 0 CHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](CC)c2cc(F)ccc2F)C1 ZINC000151107347 327210241 /nfs/dbraw/zinc/21/02/41/327210241.db2.gz CMTKLQBEIFFOIP-DYVFJYSZSA-N 2 1 296.405 3.737 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)c2cc(F)ccc2F)C1 ZINC000151107347 327210243 /nfs/dbraw/zinc/21/02/43/327210243.db2.gz CMTKLQBEIFFOIP-DYVFJYSZSA-N 2 1 296.405 3.737 20 0 CHADMP CC(C)C[C@@H](C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000566230420 327248503 /nfs/dbraw/zinc/24/85/03/327248503.db2.gz QMRJEALFWLCNNA-RBUKOAKNSA-N 2 1 286.463 3.502 20 0 CHADMP CC(C)C[C@H](C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000566230418 327248508 /nfs/dbraw/zinc/24/85/08/327248508.db2.gz QMRJEALFWLCNNA-MOPGFXCFSA-N 2 1 286.463 3.502 20 0 CHADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000559788126 327261460 /nfs/dbraw/zinc/26/14/60/327261460.db2.gz DHJIPZWINZGHNB-WNHJNPCNSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000559788126 327261461 /nfs/dbraw/zinc/26/14/61/327261461.db2.gz DHJIPZWINZGHNB-WNHJNPCNSA-N 2 1 286.463 3.990 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]CC2(C3CC3)CCC2)C[C@@H]1c1ccccc1 ZINC000559787394 327261844 /nfs/dbraw/zinc/26/18/44/327261844.db2.gz ORPQPBSYNMLTEW-RBUKOAKNSA-N 2 1 298.474 3.992 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC2(C3CC3)CCC2)C[C@@H]1c1ccccc1 ZINC000559787394 327261846 /nfs/dbraw/zinc/26/18/46/327261846.db2.gz ORPQPBSYNMLTEW-RBUKOAKNSA-N 2 1 298.474 3.992 20 0 CHADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000560527666 327318783 /nfs/dbraw/zinc/31/87/83/327318783.db2.gz NLUDYOCYGABFQR-KGLIPLIRSA-N 2 1 298.421 3.606 20 0 CHADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000560527666 327318785 /nfs/dbraw/zinc/31/87/85/327318785.db2.gz NLUDYOCYGABFQR-KGLIPLIRSA-N 2 1 298.421 3.606 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)c1ccc(C)cc1 ZINC000560581791 327327585 /nfs/dbraw/zinc/32/75/85/327327585.db2.gz LNBFSRCVCGXWRB-RDJZCZTQSA-N 2 1 260.425 3.520 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000560581791 327327587 /nfs/dbraw/zinc/32/75/87/327327587.db2.gz LNBFSRCVCGXWRB-RDJZCZTQSA-N 2 1 260.425 3.520 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000560581791 327327588 /nfs/dbraw/zinc/32/75/88/327327588.db2.gz LNBFSRCVCGXWRB-RDJZCZTQSA-N 2 1 260.425 3.520 20 0 CHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@H]1CF ZINC000560611942 327330442 /nfs/dbraw/zinc/33/04/42/327330442.db2.gz UXSPNXCXGBMMRM-KRWDZBQOSA-N 2 1 292.442 3.579 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC(C)=C[C@@H](C)C2)[C@@H](C)C1 ZINC000583413162 327350952 /nfs/dbraw/zinc/35/09/52/327350952.db2.gz PBHMHTRJERHYDR-UBDQQSCGSA-N 2 1 278.484 3.641 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC(C)=C[C@@H](C)C2)[C@@H](C)C1 ZINC000583413162 327350954 /nfs/dbraw/zinc/35/09/54/327350954.db2.gz PBHMHTRJERHYDR-UBDQQSCGSA-N 2 1 278.484 3.641 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC(C)=C[C@@H](C)C2)[C@@H](C)C1 ZINC000583413162 327350955 /nfs/dbraw/zinc/35/09/55/327350955.db2.gz PBHMHTRJERHYDR-UBDQQSCGSA-N 2 1 278.484 3.641 20 0 CHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000562040241 327441672 /nfs/dbraw/zinc/44/16/72/327441672.db2.gz WSSMLNZFKNOXCZ-XPGWFJOJSA-N 2 1 298.474 3.990 20 0 CHADMP CC[NH+](CC)CCC[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000514134823 328833587 /nfs/dbraw/zinc/83/35/87/328833587.db2.gz RTZBMBZFVIQLRO-UHFFFAOYSA-N 2 1 280.843 3.651 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CCCC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000394478416 329117357 /nfs/dbraw/zinc/11/73/57/329117357.db2.gz BPKXFCPQAZPNFL-VQIMIIECSA-N 2 1 286.463 3.819 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CCCC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000394478416 329117358 /nfs/dbraw/zinc/11/73/58/329117358.db2.gz BPKXFCPQAZPNFL-VQIMIIECSA-N 2 1 286.463 3.819 20 0 CHADMP CC(C)[C@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000177977338 329191059 /nfs/dbraw/zinc/19/10/59/329191059.db2.gz UVDUKDZSYRPVIG-HNNXBMFYSA-N 2 1 262.441 3.661 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000178699849 329202247 /nfs/dbraw/zinc/20/22/47/329202247.db2.gz NNHVCJCTIWYAEZ-CZUORRHYSA-N 2 1 285.435 3.795 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000178699885 329202489 /nfs/dbraw/zinc/20/24/89/329202489.db2.gz NNHVCJCTIWYAEZ-BBRMVZONSA-N 2 1 285.435 3.795 20 0 CHADMP CC[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1ccccc1F ZINC000180063689 329215194 /nfs/dbraw/zinc/21/51/94/329215194.db2.gz MCKJABHYNXKKOH-SFHVURJKSA-N 2 1 292.442 3.987 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000582994019 329294703 /nfs/dbraw/zinc/29/47/03/329294703.db2.gz GIZDARIMIUXBOC-HZSPNIEDSA-N 2 1 294.405 3.818 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000582994019 329294705 /nfs/dbraw/zinc/29/47/05/329294705.db2.gz GIZDARIMIUXBOC-HZSPNIEDSA-N 2 1 294.405 3.818 20 0 CHADMP CC[C@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000125147058 329578159 /nfs/dbraw/zinc/57/81/59/329578159.db2.gz BOCYNNKMFBUKSJ-LSDHHAIUSA-N 2 1 260.425 3.600 20 0 CHADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000537965909 329595757 /nfs/dbraw/zinc/59/57/57/329595757.db2.gz KUVCBKAELBFNIH-UAGQMJEPSA-N 2 1 277.456 3.776 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@H](CC(C)C)C1 ZINC000509946623 332886463 /nfs/dbraw/zinc/88/64/63/332886463.db2.gz YBFMEKTYGABZRP-SJORKVTESA-N 2 1 277.456 3.776 20 0 CHADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(F)cc1 ZINC000527111518 330059886 /nfs/dbraw/zinc/05/98/86/330059886.db2.gz VVXMIWBZDXJSJB-YOEHRIQHSA-N 2 1 290.426 3.536 20 0 CHADMP C[C@@H](C[NH2+][C@H]1CC[N@H+](C2CCCC2)C1)c1ccc(F)cc1 ZINC000527111518 330059888 /nfs/dbraw/zinc/05/98/88/330059888.db2.gz VVXMIWBZDXJSJB-YOEHRIQHSA-N 2 1 290.426 3.536 20 0 CHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(F)cc1 ZINC000527111516 330059994 /nfs/dbraw/zinc/05/99/94/330059994.db2.gz VVXMIWBZDXJSJB-RHSMWYFYSA-N 2 1 290.426 3.536 20 0 CHADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc(F)cc1 ZINC000527111516 330059995 /nfs/dbraw/zinc/05/99/95/330059995.db2.gz VVXMIWBZDXJSJB-RHSMWYFYSA-N 2 1 290.426 3.536 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1C ZINC000379628384 330144559 /nfs/dbraw/zinc/14/45/59/330144559.db2.gz IUGFNNPOCNIOMX-DARIXABFSA-N 2 1 286.463 3.674 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1C ZINC000379628384 330144561 /nfs/dbraw/zinc/14/45/61/330144561.db2.gz IUGFNNPOCNIOMX-DARIXABFSA-N 2 1 286.463 3.674 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@@H]1C ZINC000379628385 330144591 /nfs/dbraw/zinc/14/45/91/330144591.db2.gz IUGFNNPOCNIOMX-RTYCURFASA-N 2 1 286.463 3.674 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@@H]1C ZINC000379628385 330144593 /nfs/dbraw/zinc/14/45/93/330144593.db2.gz IUGFNNPOCNIOMX-RTYCURFASA-N 2 1 286.463 3.674 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC=CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379643243 330144981 /nfs/dbraw/zinc/14/49/81/330144981.db2.gz FQNHUWVGJNVTIR-HBFSDRIKSA-N 2 1 298.474 3.985 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC=CCC2)CC[N@H+]1Cc1ccccc1 ZINC000379643243 330144982 /nfs/dbraw/zinc/14/49/82/330144982.db2.gz FQNHUWVGJNVTIR-HBFSDRIKSA-N 2 1 298.474 3.985 20 0 CHADMP CC[C@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000379659173 330146409 /nfs/dbraw/zinc/14/64/09/330146409.db2.gz YYOBBTWBMWWITQ-QAPCUYQASA-N 2 1 274.452 3.675 20 0 CHADMP c1cc(-c2ccccc2)sc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422564094 330149343 /nfs/dbraw/zinc/14/93/43/330149343.db2.gz VFBHTXGZGKQPLM-UHFFFAOYSA-N 2 1 298.455 3.743 20 0 CHADMP c1ccc(-c2cccc(C[NH+]3CCC4(CC[NH2+]4)CC3)c2)cc1 ZINC000422565603 330149476 /nfs/dbraw/zinc/14/94/76/330149476.db2.gz ZKZRICMKXMJXKH-UHFFFAOYSA-N 2 1 292.426 3.682 20 0 CHADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000422751320 330153389 /nfs/dbraw/zinc/15/33/89/330153389.db2.gz BIDUINFKQROHAS-AEJSXWLSSA-N 2 1 275.223 3.770 20 0 CHADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000422763957 330154086 /nfs/dbraw/zinc/15/40/86/330154086.db2.gz PDDBSMNDUCUHGR-RBUKOAKNSA-N 2 1 280.415 3.578 20 0 CHADMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(Cl)ccc1Cl ZINC000422781239 330154910 /nfs/dbraw/zinc/15/49/10/330154910.db2.gz LFEPIZJWDVVFSF-JQWIXIFHSA-N 2 1 287.234 3.786 20 0 CHADMP CCOc1cccc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422785094 330154929 /nfs/dbraw/zinc/15/49/29/330154929.db2.gz QSQPCOKGLRQCAU-BKTGTZMESA-N 2 1 296.414 3.881 20 0 CHADMP C[C@@H]([NH2+][C@H](c1ccccc1)C(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000422839295 330157073 /nfs/dbraw/zinc/15/70/73/330157073.db2.gz ZSKXXPUGSFPLRQ-FVQBIDKESA-N 2 1 260.425 3.504 20 0 CHADMP CSc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422880310 330158784 /nfs/dbraw/zinc/15/87/84/330158784.db2.gz NZIYMQGBYVDXRT-DLBZAZTESA-N 2 1 284.428 3.643 20 0 CHADMP CC[C@H](C)C[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422919682 330160554 /nfs/dbraw/zinc/16/05/54/330160554.db2.gz KWEMFDUTDUDWPV-LAQRGFTBSA-N 2 1 274.452 3.894 20 0 CHADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(F)ccc32)c2ccccc21 ZINC000422933160 330161224 /nfs/dbraw/zinc/16/12/24/330161224.db2.gz HGFXFPLUXRTQIF-SQNIBIBYSA-N 2 1 282.362 3.547 20 0 CHADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc32)c2ccccc21 ZINC000422933159 330161267 /nfs/dbraw/zinc/16/12/67/330161267.db2.gz HGFXFPLUXRTQIF-KZNAEPCWSA-N 2 1 282.362 3.547 20 0 CHADMP CC(C)C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cccs1 ZINC000422947065 330162061 /nfs/dbraw/zinc/16/20/61/330162061.db2.gz PSBVVYYDNLPWMS-MELADBBJSA-N 2 1 266.454 3.565 20 0 CHADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000422960194 330164225 /nfs/dbraw/zinc/16/42/25/330164225.db2.gz VOXIBTSVYCGBJY-YNEHKIRRSA-N 2 1 289.448 3.587 20 0 CHADMP C[C@H](CCc1ccco1)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422968630 330164449 /nfs/dbraw/zinc/16/44/49/330164449.db2.gz XJGDYCJNVSBZFT-HHXXYDBFSA-N 2 1 298.430 3.684 20 0 CHADMP C(=C/c1ccccc1)\C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422972811 330164596 /nfs/dbraw/zinc/16/45/96/330164596.db2.gz AKFSUCSFSAISKM-DSJULSIBSA-N 2 1 292.426 3.783 20 0 CHADMP Cc1ccccc1C([NH2+][C@H](C)C1C[NH2+]C1)c1ccccc1C ZINC000423034124 330166145 /nfs/dbraw/zinc/16/61/45/330166145.db2.gz HGXSZKNFCBSGQV-MRXNPFEDSA-N 2 1 294.442 3.590 20 0 CHADMP Cc1cc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)ccc1Cl ZINC000423040730 330166457 /nfs/dbraw/zinc/16/64/57/330166457.db2.gz UZCOBYQDASGDEX-IRXDYDNUSA-N 2 1 286.806 3.883 20 0 CHADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(C3CC3)cc2)c2ccccc21 ZINC000423077723 330168584 /nfs/dbraw/zinc/16/85/84/330168584.db2.gz MWRYPFFFFFUMRQ-OALUTQOASA-N 2 1 278.399 3.798 20 0 CHADMP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423157607 330173411 /nfs/dbraw/zinc/17/34/11/330173411.db2.gz BGPQNFDFVNXTLW-ZSYWTGECSA-N 2 1 286.463 3.894 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(C)C)c1c[nH+]ccc1N ZINC000423171675 330174461 /nfs/dbraw/zinc/17/44/61/330174461.db2.gz PNAULGKKJNDWLN-FDQGKXFDSA-N 2 1 295.430 3.585 20 0 CHADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc2ccccc2n1 ZINC000423175369 330174782 /nfs/dbraw/zinc/17/47/82/330174782.db2.gz DWASZHAYEOWCQB-AWEZNQCLSA-N 2 1 283.419 3.547 20 0 CHADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1cnc2ccsc2c1 ZINC000423175650 330174819 /nfs/dbraw/zinc/17/48/19/330174819.db2.gz FGMWQIFOEUWRPT-GFCCVEGCSA-N 2 1 289.448 3.609 20 0 CHADMP CC[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000423181237 330175372 /nfs/dbraw/zinc/17/53/72/330175372.db2.gz JISWNOCIJBYDOC-CQSZACIVSA-N 2 1 287.234 3.786 20 0 CHADMP C[NH2+]CCC[NH2+][C@@H](C)c1ccccc1OCc1ccccc1 ZINC000423191593 330175921 /nfs/dbraw/zinc/17/59/21/330175921.db2.gz SYUIUJLCAWCJMT-INIZCTEOSA-N 2 1 298.430 3.526 20 0 CHADMP CCC[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)C1CCCC1 ZINC000423192522 330176069 /nfs/dbraw/zinc/17/60/69/330176069.db2.gz VQRIJZVHYXZQOO-GOSISDBHSA-N 2 1 289.467 3.510 20 0 CHADMP CC[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccc(C)c1 ZINC000423194211 330176394 /nfs/dbraw/zinc/17/63/94/330176394.db2.gz YNQGQGZFOWTJMD-IBGZPJMESA-N 2 1 297.446 3.611 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(Cl)cc(Cl)c1 ZINC000423213095 330178313 /nfs/dbraw/zinc/17/83/13/330178313.db2.gz KPBFADWKYKZDES-WLDFSCGOSA-N 2 1 299.245 3.927 20 0 CHADMP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)c1cccc(Cl)c1F ZINC000423221921 330179696 /nfs/dbraw/zinc/17/96/96/330179696.db2.gz YRTGXGGXKPLKDY-XUJVJEKNSA-N 2 1 298.833 3.908 20 0 CHADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1F ZINC000423221920 330179845 /nfs/dbraw/zinc/17/98/45/330179845.db2.gz YRTGXGGXKPLKDY-JMSVASOKSA-N 2 1 298.833 3.908 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000423266840 330184057 /nfs/dbraw/zinc/18/40/57/330184057.db2.gz SIXCPLKIRBVHIN-HEHGZKQESA-N 2 1 282.859 3.795 20 0 CHADMP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423265137 330184148 /nfs/dbraw/zinc/18/41/48/330184148.db2.gz ATVRAIVWVYSBDW-FZKQIMNGSA-N 2 1 299.462 3.551 20 0 CHADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cc2cc(Cl)ccc2o1 ZINC000423276357 330184940 /nfs/dbraw/zinc/18/49/40/330184940.db2.gz OGVNJICSVPEVRV-GHMZBOCLSA-N 2 1 280.799 3.592 20 0 CHADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(-c2cccs2)cc1 ZINC000423275040 330184988 /nfs/dbraw/zinc/18/49/88/330184988.db2.gz LIWRQXDHAUSTCW-LRDDRELGSA-N 2 1 286.444 3.803 20 0 CHADMP [NH3+]C[C@H]([NH2+][C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000423276177 330185101 /nfs/dbraw/zinc/18/51/01/330185101.db2.gz MNLNTTWSITUJBA-UAGQMJEPSA-N 2 1 292.854 3.693 20 0 CHADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCCc2c3ccccc3sc21)C1CC1 ZINC000423276188 330185133 /nfs/dbraw/zinc/18/51/33/330185133.db2.gz MPJOECTZEPLEFE-HUUCEWRRSA-N 2 1 286.444 3.606 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000423287294 330186055 /nfs/dbraw/zinc/18/60/55/330186055.db2.gz LGRMKFJHBNVJMI-NSHDSACASA-N 2 1 254.805 3.508 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCCC12CCCCC2 ZINC000423296319 330188306 /nfs/dbraw/zinc/18/83/06/330188306.db2.gz GPFCWJPVOCIEIF-GJZGRUSLSA-N 2 1 252.446 3.597 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000423303961 330188949 /nfs/dbraw/zinc/18/89/49/330188949.db2.gz XVDNLCWMCUIPPX-KURKYZTESA-N 2 1 274.452 3.505 20 0 CHADMP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1Cl ZINC000423325104 330189753 /nfs/dbraw/zinc/18/97/53/330189753.db2.gz QBCFWPRGNQPSBJ-IAQYHMDHSA-N 2 1 296.842 3.515 20 0 CHADMP C[C@H](C[NH3+])[NH2+][C@@H](Cc1ccccc1Cl)c1cccs1 ZINC000423315669 330189858 /nfs/dbraw/zinc/18/98/58/330189858.db2.gz AHBBIACNASJJHP-RISCZKNCSA-N 2 1 294.851 3.622 20 0 CHADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1cc(Cl)cc(Cl)c1 ZINC000423327047 330190643 /nfs/dbraw/zinc/19/06/43/330190643.db2.gz MRUOSHDUQDKAAS-VIFPVBQESA-N 2 1 273.207 3.525 20 0 CHADMP C[C@@H](C[NH3+])[NH2+][C@@H](Cc1ccccc1Cl)c1cccs1 ZINC000423361592 330193687 /nfs/dbraw/zinc/19/36/87/330193687.db2.gz AHBBIACNASJJHP-FZMZJTMJSA-N 2 1 294.851 3.622 20 0 CHADMP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423361638 330193884 /nfs/dbraw/zinc/19/38/84/330193884.db2.gz MKOFMJLBKDHKSG-GXTWGEPZSA-N 2 1 296.842 3.531 20 0 CHADMP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423361640 330194133 /nfs/dbraw/zinc/19/41/33/330194133.db2.gz MKOFMJLBKDHKSG-TZMCWYRMSA-N 2 1 296.842 3.531 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000423401845 330196198 /nfs/dbraw/zinc/19/61/98/330196198.db2.gz XNNXTWXFJHGQJS-JFGNBEQYSA-N 2 1 287.234 3.785 20 0 CHADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000423410293 330197392 /nfs/dbraw/zinc/19/73/92/330197392.db2.gz ZVBFWNPAXVTISF-CCKFTAQKSA-N 2 1 298.405 3.503 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)C1CCC(F)(F)CC1 ZINC000423390570 330200410 /nfs/dbraw/zinc/20/04/10/330200410.db2.gz ONQROURPQBQNHH-JSGCOSHPSA-N 2 1 288.426 3.568 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc2cc(Cl)ccc2o1 ZINC000423395306 330200481 /nfs/dbraw/zinc/20/04/81/330200481.db2.gz SNYDAGGUAJZJMN-SUNKGSAMSA-N 2 1 292.810 3.877 20 0 CHADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000423432749 330201112 /nfs/dbraw/zinc/20/11/12/330201112.db2.gz BMJZCLRDJCALFT-HUBLWGQQSA-N 2 1 266.404 3.628 20 0 CHADMP CCC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423451876 330202884 /nfs/dbraw/zinc/20/28/84/330202884.db2.gz VQBVNQTYWMPJNL-SUNKGSAMSA-N 2 1 288.357 3.872 20 0 CHADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccc(F)cc2)s1 ZINC000423449786 330202898 /nfs/dbraw/zinc/20/28/98/330202898.db2.gz SDELTIGUQTVCPK-SRVKXCTJSA-N 2 1 292.423 3.941 20 0 CHADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000423457409 330203605 /nfs/dbraw/zinc/20/36/05/330203605.db2.gz FOUGXRRVDJRTPM-AAEUAGOBSA-N 2 1 284.856 3.594 20 0 CHADMP Cc1nc([C@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)cs1 ZINC000423512162 330209287 /nfs/dbraw/zinc/20/92/87/330209287.db2.gz OFLMQZQYKCNDAJ-SWLSCSKDSA-N 2 1 289.448 3.582 20 0 CHADMP Cc1cc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)c(C)s1 ZINC000423532385 330210293 /nfs/dbraw/zinc/21/02/93/330210293.db2.gz QZWCLXSCXXBHGA-ABAIWWIYSA-N 2 1 266.454 3.533 20 0 CHADMP Cc1ccc(CCC[N@H+]2CCC[C@@H]2c2ccccn2)cn1 ZINC000527509220 330254691 /nfs/dbraw/zinc/25/46/91/330254691.db2.gz AIUZLQVCTNVYFK-GOSISDBHSA-N 2 1 281.403 3.555 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527845919 330287818 /nfs/dbraw/zinc/28/78/18/330287818.db2.gz KHYWAAVYYOEHFL-MRXNPFEDSA-N 2 1 296.817 3.540 20 0 CHADMP Cc1cccc([C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C(C)C)c1 ZINC000527848868 330287988 /nfs/dbraw/zinc/28/79/88/330287988.db2.gz KFSMMYVLWZLEQP-QFBILLFUSA-N 2 1 286.463 3.766 20 0 CHADMP CC[C@H](C)c1ccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000527892321 330292334 /nfs/dbraw/zinc/29/23/34/330292334.db2.gz NXQIBEOXUMLIPN-GJZGRUSLSA-N 2 1 285.435 3.827 20 0 CHADMP CC[C@H](CCc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000527901024 330293531 /nfs/dbraw/zinc/29/35/31/330293531.db2.gz ANVHDJNOSJUPHA-MVCQKVDPSA-N 2 1 286.463 3.613 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2c(C)cc(C)cc2C)C1 ZINC000533011143 330324085 /nfs/dbraw/zinc/32/40/85/330324085.db2.gz TWAFCQHHZPFREM-ROUUACIJSA-N 2 1 288.479 3.946 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2c(C)cc(C)cc2C)C1 ZINC000533011143 330324086 /nfs/dbraw/zinc/32/40/86/330324086.db2.gz TWAFCQHHZPFREM-ROUUACIJSA-N 2 1 288.479 3.946 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2c(C)cc(C)cc2C)C1 ZINC000533011143 330324087 /nfs/dbraw/zinc/32/40/87/330324087.db2.gz TWAFCQHHZPFREM-ROUUACIJSA-N 2 1 288.479 3.946 20 0 CHADMP C([NH2+][C@@H](C1CCC1)C1CCCCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000424272736 330333292 /nfs/dbraw/zinc/33/32/92/330333292.db2.gz UXSKAJVEQSSZGP-HNAYVOBHSA-N 2 1 290.495 3.809 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@@H](C2CCC2)C2CCCCC2)CC1 ZINC000424285665 330334114 /nfs/dbraw/zinc/33/41/14/330334114.db2.gz PEXDSRZQOSVVIN-GOSISDBHSA-N 2 1 276.468 3.587 20 0 CHADMP Cc1ccc2cc([C@@H](C)[NH2+][C@@H]3CCCC[C@H]3[NH3+])oc2c1 ZINC000424370927 330348278 /nfs/dbraw/zinc/34/82/78/330348278.db2.gz FENNHKKDHAIRDS-BPLDGKMQSA-N 2 1 272.392 3.662 20 0 CHADMP CC[C@@H](C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424383695 330349560 /nfs/dbraw/zinc/34/95/60/330349560.db2.gz UIQVAHOJIMOOHM-IRXDYDNUSA-N 2 1 286.463 3.644 20 0 CHADMP CCCC(CCC)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164190 330374944 /nfs/dbraw/zinc/37/49/44/330374944.db2.gz SAZVXHNYLUYPFT-MQVJKMGUSA-N 2 1 252.446 3.560 20 0 CHADMP CCCC(CCC)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164190 330374945 /nfs/dbraw/zinc/37/49/45/330374945.db2.gz SAZVXHNYLUYPFT-MQVJKMGUSA-N 2 1 252.446 3.560 20 0 CHADMP C[N@@H+]1CCCC12CC[NH+](CCCC1CCCC1)CC2 ZINC000536997039 330375598 /nfs/dbraw/zinc/37/55/98/330375598.db2.gz WJVRLTMBDOVZQG-UHFFFAOYSA-N 2 1 264.457 3.517 20 0 CHADMP C[N@H+]1CCCC12CC[NH+](CCCC1CCCC1)CC2 ZINC000536997039 330375599 /nfs/dbraw/zinc/37/55/99/330375599.db2.gz WJVRLTMBDOVZQG-UHFFFAOYSA-N 2 1 264.457 3.517 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2cccc(C)c2)[C@H](C)C1 ZINC000120798631 330392244 /nfs/dbraw/zinc/39/22/44/330392244.db2.gz QYNXNGBZDWEYGR-AEFFLSMTSA-N 2 1 288.479 3.593 20 0 CHADMP CC1(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCC1 ZINC000433186236 330619167 /nfs/dbraw/zinc/61/91/67/330619167.db2.gz ILDARGKUCGATTN-UHFFFAOYSA-N 2 1 287.451 3.589 20 0 CHADMP CC(C)CSCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000443636427 330804107 /nfs/dbraw/zinc/80/41/07/330804107.db2.gz DSEXZHPNTDFCOI-UHFFFAOYSA-N 2 1 298.540 3.716 20 0 CHADMP CC(C)[C@H](C[NH2+][C@H](C)CCCC(F)(F)F)[NH+]1CCCC1 ZINC000163239206 331007280 /nfs/dbraw/zinc/00/72/80/331007280.db2.gz LZFVTHGWEFURTI-KGLIPLIRSA-N 2 1 294.405 3.818 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC000451181739 331019090 /nfs/dbraw/zinc/01/90/90/331019090.db2.gz HVRRIVABTOZEAY-MDZRGWNJSA-N 2 1 297.446 3.848 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC000451181739 331019091 /nfs/dbraw/zinc/01/90/91/331019091.db2.gz HVRRIVABTOZEAY-MDZRGWNJSA-N 2 1 297.446 3.848 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451857411 331045034 /nfs/dbraw/zinc/04/50/34/331045034.db2.gz QNCRQSFLBRXVTL-QGZVFWFLSA-N 2 1 299.418 3.792 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451857411 331045035 /nfs/dbraw/zinc/04/50/35/331045035.db2.gz QNCRQSFLBRXVTL-QGZVFWFLSA-N 2 1 299.418 3.792 20 0 CHADMP CSc1ccccc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000194847650 331064734 /nfs/dbraw/zinc/06/47/34/331064734.db2.gz DFWPHTCDRIEXMB-UONOGXRCSA-N 2 1 290.476 3.543 20 0 CHADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccncc1 ZINC000453053881 331084975 /nfs/dbraw/zinc/08/49/75/331084975.db2.gz AYQLOBNDDQWUEE-AEFFLSMTSA-N 2 1 289.467 3.634 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[C@H](C)c2ccsc21 ZINC000453055301 331084996 /nfs/dbraw/zinc/08/49/96/331084996.db2.gz CKYVYZNQLIQYES-WFASDCNBSA-N 2 1 289.448 3.871 20 0 CHADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccncc1 ZINC000453053886 331085060 /nfs/dbraw/zinc/08/50/60/331085060.db2.gz AYQLOBNDDQWUEE-FUHWJXTLSA-N 2 1 289.467 3.634 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2sccc21 ZINC000453076625 331086922 /nfs/dbraw/zinc/08/69/22/331086922.db2.gz JIVCWDKBTGFLFR-XJKCOSOUSA-N 2 1 290.476 3.760 20 0 CHADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)c1ccncc1 ZINC000453109222 331089888 /nfs/dbraw/zinc/08/98/88/331089888.db2.gz OZBJIXYUJPDBMY-IBGZPJMESA-N 2 1 297.446 3.774 20 0 CHADMP Cc1cccc(N2CCC([NH2+][C@@H](C3CC3)C3CCC3)CC2)[nH+]1 ZINC000453116080 331090808 /nfs/dbraw/zinc/09/08/08/331090808.db2.gz HWRWPTWBYAPEBN-LJQANCHMSA-N 2 1 299.462 3.527 20 0 CHADMP CCC1([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000453279664 331110567 /nfs/dbraw/zinc/11/05/67/331110567.db2.gz FZUVKZVCTCGRHN-UHFFFAOYSA-N 2 1 286.463 3.962 20 0 CHADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000453335267 331118291 /nfs/dbraw/zinc/11/82/91/331118291.db2.gz DFVUOJPOEMVNLG-RGPMPMONSA-N 2 1 298.474 3.896 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2sccc21 ZINC000453347662 331120138 /nfs/dbraw/zinc/12/01/38/331120138.db2.gz KXMBHSRZKYTBSX-NOTZBRRKSA-N 2 1 290.476 3.901 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(C)c1F ZINC000453353881 331121076 /nfs/dbraw/zinc/12/10/76/331121076.db2.gz NSFZVRYMPNNAPN-LNRIEFBSSA-N 2 1 290.426 3.718 20 0 CHADMP Cc1ccc([C@@H]([NH2+]CCCC[N@H+](C)C2CC2)C2CC2)cc1 ZINC000453396358 331127994 /nfs/dbraw/zinc/12/79/94/331127994.db2.gz IKRFRGJCHIRYIH-LJQANCHMSA-N 2 1 286.463 3.910 20 0 CHADMP CC(C)C1CCC([NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC000453396449 331128004 /nfs/dbraw/zinc/12/80/04/331128004.db2.gz IVQPGNSVQKBSHX-UHFFFAOYSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1ccc([C@H]([NH2+]CCCC[N@H+](C)C2CC2)C2CCC2)o1 ZINC000453397380 331128203 /nfs/dbraw/zinc/12/82/03/331128203.db2.gz JIAJJELFSYJIFJ-GOSISDBHSA-N 2 1 290.451 3.893 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@H]1CCCc2ccc(F)cc21)C1CC1 ZINC000453402839 331128903 /nfs/dbraw/zinc/12/89/03/331128903.db2.gz NZAYCCHTIAUELY-SFHVURJKSA-N 2 1 290.426 3.667 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@H]1CCCC12CCCCC2)C1CC1 ZINC000453409483 331129677 /nfs/dbraw/zinc/12/96/77/331129677.db2.gz UJHOXDUTAIKCTI-KRWDZBQOSA-N 2 1 278.484 3.953 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453411671 331130003 /nfs/dbraw/zinc/13/00/03/331130003.db2.gz VYEPENQTTRAVNM-CVEARBPZSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(Cl)c1 ZINC000453436917 331131697 /nfs/dbraw/zinc/13/16/97/331131697.db2.gz VAONPXPQATZWAM-CYBMUJFWSA-N 2 1 280.843 3.865 20 0 CHADMP C[N@@H+](CCCC[NH2+]Cc1cc2cc(F)ccc2o1)C1CC1 ZINC000453591552 331135166 /nfs/dbraw/zinc/13/51/66/331135166.db2.gz COOZYUKYLRFCDL-UHFFFAOYSA-N 2 1 290.382 3.536 20 0 CHADMP C[N@@H+](CCCC[NH2+]Cc1ccc(C2CCC2)cc1)C1CC1 ZINC000453597893 331135672 /nfs/dbraw/zinc/13/56/72/331135672.db2.gz OPBADGYHHRCVPY-UHFFFAOYSA-N 2 1 286.463 3.918 20 0 CHADMP CC1(C)Cc2ccsc2C[N@H+]1Cc1cccc2nccn21 ZINC000453624366 331137081 /nfs/dbraw/zinc/13/70/81/331137081.db2.gz QGZHJZWIBCGELK-UHFFFAOYSA-N 2 1 297.427 3.733 20 0 CHADMP CC1(C)Cc2ccsc2CN1Cc1cccc2nccn21 ZINC000453624366 331137082 /nfs/dbraw/zinc/13/70/82/331137082.db2.gz QGZHJZWIBCGELK-UHFFFAOYSA-N 2 1 297.427 3.733 20 0 CHADMP Cc1ccc([C@H](C)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000195132014 331137987 /nfs/dbraw/zinc/13/79/87/331137987.db2.gz KWKDOKUJPGJKNM-FUHWJXTLSA-N 2 1 298.430 3.761 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000195132014 331137989 /nfs/dbraw/zinc/13/79/89/331137989.db2.gz KWKDOKUJPGJKNM-FUHWJXTLSA-N 2 1 298.430 3.761 20 0 CHADMP Cc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000195132006 331137998 /nfs/dbraw/zinc/13/79/98/331137998.db2.gz KWKDOKUJPGJKNM-SJLPKXTDSA-N 2 1 298.430 3.761 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000195132006 331138000 /nfs/dbraw/zinc/13/80/00/331138000.db2.gz KWKDOKUJPGJKNM-SJLPKXTDSA-N 2 1 298.430 3.761 20 0 CHADMP C(CCC1CCCC1)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459423978 331280735 /nfs/dbraw/zinc/28/07/35/331280735.db2.gz PUEUFIHDRMGVLO-UHFFFAOYSA-N 2 1 264.457 3.563 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@]1(C)CCCC[C@@H]1C ZINC000459605684 331290330 /nfs/dbraw/zinc/29/03/30/331290330.db2.gz DKFIITYDKDMNRM-GOEBONIOSA-N 2 1 263.429 3.530 20 0 CHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(-c3ccccc3)o2)C1 ZINC000459725171 331295957 /nfs/dbraw/zinc/29/59/57/331295957.db2.gz FQIOBJWNRXQDQK-MRXNPFEDSA-N 2 1 298.430 3.768 20 0 CHADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459725013 331295994 /nfs/dbraw/zinc/29/59/94/331295994.db2.gz FMXHXVVFFNXICR-YESZJQIVSA-N 2 1 274.452 3.500 20 0 CHADMP CC[C@H](C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000459740340 331297322 /nfs/dbraw/zinc/29/73/22/331297322.db2.gz UCSLXBGBHSHFJT-DLBZAZTESA-N 2 1 274.452 3.502 20 0 CHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000166175547 331306599 /nfs/dbraw/zinc/30/65/99/331306599.db2.gz ZFHAGFSUVFGDSJ-STQMWFEESA-N 2 1 280.481 3.605 20 0 CHADMP Cc1cc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)ccc1Cl ZINC000462806379 331330080 /nfs/dbraw/zinc/33/00/80/331330080.db2.gz WXPFZQRCBMPNDL-CKEIUWERSA-N 2 1 294.870 3.509 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1CCCCC12CCCC2 ZINC000463444237 331347589 /nfs/dbraw/zinc/34/75/89/331347589.db2.gz MEDCLFYVEXVJLX-HOTGVXAUSA-N 2 1 264.457 3.563 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000510928566 332920838 /nfs/dbraw/zinc/92/08/38/332920838.db2.gz AIDBACRUFXYCFS-HZPDHXFCSA-N 2 1 277.456 3.776 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000510962942 332922176 /nfs/dbraw/zinc/92/21/76/332922176.db2.gz SRCSDDCXMVPURB-MOPGFXCFSA-N 2 1 297.446 3.898 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000172190021 335096907 /nfs/dbraw/zinc/09/69/07/335096907.db2.gz BGYRSWIHSYNOIP-KRWDZBQOSA-N 2 1 264.457 3.539 20 0 CHADMP [NH3+]CCC[N@H+](Cc1ccccc1)C[C@@H]1CCCC(F)(F)C1 ZINC000336658790 335109829 /nfs/dbraw/zinc/10/98/29/335109829.db2.gz AEQQWERXSQNWJB-MRXNPFEDSA-N 2 1 296.405 3.663 20 0 CHADMP COc1ccccc1[C@@H](C)NCCC[N@H+]1CCCC[C@H]1C ZINC000252126833 334374275 /nfs/dbraw/zinc/37/42/75/334374275.db2.gz KEUDPXLVXBQUNX-HZPDHXFCSA-N 2 1 290.451 3.610 20 0 CHADMP COc1ccccc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000252126833 334374276 /nfs/dbraw/zinc/37/42/76/334374276.db2.gz KEUDPXLVXBQUNX-HZPDHXFCSA-N 2 1 290.451 3.610 20 0 CHADMP COc1ccccc1[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000252126833 334374277 /nfs/dbraw/zinc/37/42/77/334374277.db2.gz KEUDPXLVXBQUNX-HZPDHXFCSA-N 2 1 290.451 3.610 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3ccccc3c2)[C@@H]2CCC[C@H]21 ZINC000513668372 333030901 /nfs/dbraw/zinc/03/09/01/333030901.db2.gz XNSADEMSFIQZFF-SLFFLAALSA-N 2 1 294.442 3.802 20 0 CHADMP CC[C@@H](C)C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000309878673 333050815 /nfs/dbraw/zinc/05/08/15/333050815.db2.gz VDLVGKRSNXWFRE-MJGOQNOKSA-N 2 1 288.479 3.924 20 0 CHADMP CCC[NH+]1CCC([N@H+](C)Cc2cc3ccccc3o2)CC1 ZINC000178532467 333075001 /nfs/dbraw/zinc/07/50/01/333075001.db2.gz HRXPUSSCYSZARY-UHFFFAOYSA-N 2 1 286.419 3.739 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc3ccccc3o2)CC1 ZINC000178532467 333075003 /nfs/dbraw/zinc/07/50/03/333075003.db2.gz HRXPUSSCYSZARY-UHFFFAOYSA-N 2 1 286.419 3.739 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000520904362 333107529 /nfs/dbraw/zinc/10/75/29/333107529.db2.gz IFKGARGEQJPPAS-NJAFHUGGSA-N 2 1 278.484 3.643 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000520904362 333107530 /nfs/dbraw/zinc/10/75/30/333107530.db2.gz IFKGARGEQJPPAS-NJAFHUGGSA-N 2 1 278.484 3.643 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000520904362 333107531 /nfs/dbraw/zinc/10/75/31/333107531.db2.gz IFKGARGEQJPPAS-NJAFHUGGSA-N 2 1 278.484 3.643 20 0 CHADMP CC[C@H]1Cc2ccccc2C[N@@H+]1CCCCn1cc[nH+]c1C ZINC000185795558 333148910 /nfs/dbraw/zinc/14/89/10/333148910.db2.gz GXSWKWLYVYVAAG-IBGZPJMESA-N 2 1 297.446 3.809 20 0 CHADMP CC[C@H]1Cc2ccccc2C[N@H+]1CCCCn1cc[nH+]c1C ZINC000185795558 333148911 /nfs/dbraw/zinc/14/89/11/333148911.db2.gz GXSWKWLYVYVAAG-IBGZPJMESA-N 2 1 297.446 3.809 20 0 CHADMP COc1ccsc1[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000186168528 333156238 /nfs/dbraw/zinc/15/62/38/333156238.db2.gz NDYLTUODFBCVCK-TZMCWYRMSA-N 2 1 298.496 3.774 20 0 CHADMP CCS[C@@H]1CCCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000190034720 333202349 /nfs/dbraw/zinc/20/23/49/333202349.db2.gz GISHLZNAEOKISY-JKSUJKDBSA-N 2 1 295.496 3.626 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@@H]3CCC34CCCC4)C2)cc1 ZINC000195136842 333246394 /nfs/dbraw/zinc/24/63/94/333246394.db2.gz PSNKLTMOBYPGRJ-RBUKOAKNSA-N 2 1 298.474 3.821 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc3c(s2)CCCC3)C1 ZINC000250227640 333303599 /nfs/dbraw/zinc/30/35/99/333303599.db2.gz FRSUAOLFQDGFSB-KGLIPLIRSA-N 2 1 292.492 3.619 20 0 CHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC2CCCC2)C1 ZINC000524356421 333360622 /nfs/dbraw/zinc/36/06/22/333360622.db2.gz OBNCLYCAXKJPHS-AEFFLSMTSA-N 2 1 278.484 3.763 20 0 CHADMP CCCC1CCC([NH2+]C[C@H](C)Cn2cc[nH+]c2C)CC1 ZINC000236799069 333375632 /nfs/dbraw/zinc/37/56/32/333375632.db2.gz XXGSJQJURJFPLY-OOHWJJMZSA-N 2 1 277.456 3.776 20 0 CHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000237478062 333379867 /nfs/dbraw/zinc/37/98/67/333379867.db2.gz DDLMBIBMXPOCAW-HZPDHXFCSA-N 2 1 286.463 3.807 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000576022419 335142686 /nfs/dbraw/zinc/14/26/86/335142686.db2.gz FGDFPJGHEJXAKR-JQHSSLGASA-N 2 1 274.452 3.500 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000576022419 335142687 /nfs/dbraw/zinc/14/26/87/335142687.db2.gz FGDFPJGHEJXAKR-JQHSSLGASA-N 2 1 274.452 3.500 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000576022420 335142771 /nfs/dbraw/zinc/14/27/71/335142771.db2.gz FGDFPJGHEJXAKR-RYQLBKOJSA-N 2 1 274.452 3.500 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000576022420 335142772 /nfs/dbraw/zinc/14/27/72/335142772.db2.gz FGDFPJGHEJXAKR-RYQLBKOJSA-N 2 1 274.452 3.500 20 0 CHADMP FC(F)c1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000546615282 334040679 /nfs/dbraw/zinc/04/06/79/334040679.db2.gz XOKSKXGRHAZAIM-UHFFFAOYSA-N 2 1 294.389 3.588 20 0 CHADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(-c2ccccc2)o1 ZINC000547538889 334100009 /nfs/dbraw/zinc/10/00/09/334100009.db2.gz LZHBRQFQHIRPDK-CQSZACIVSA-N 2 1 295.386 3.573 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000245414061 334191127 /nfs/dbraw/zinc/19/11/27/334191127.db2.gz BZNGTGBXMOHXEX-BBRMVZONSA-N 2 1 280.843 3.502 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000245414061 334191129 /nfs/dbraw/zinc/19/11/29/334191129.db2.gz BZNGTGBXMOHXEX-BBRMVZONSA-N 2 1 280.843 3.502 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000245414061 334191130 /nfs/dbraw/zinc/19/11/30/334191130.db2.gz BZNGTGBXMOHXEX-BBRMVZONSA-N 2 1 280.843 3.502 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000245466514 334195451 /nfs/dbraw/zinc/19/54/51/334195451.db2.gz REFQATBVWKJFHR-IAGOWNOFSA-N 2 1 274.452 3.992 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000247139025 334276533 /nfs/dbraw/zinc/27/65/33/334276533.db2.gz WCJUMTPWANMLHI-JENIJYKNSA-N 2 1 288.479 3.575 20 0 CHADMP CC(C)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245643728 334209952 /nfs/dbraw/zinc/20/99/52/334209952.db2.gz BFAKHXARESKHES-REPLKXPHSA-N 2 1 286.463 3.818 20 0 CHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1F ZINC000550323359 334220281 /nfs/dbraw/zinc/22/02/81/334220281.db2.gz XLATWSYRVOWQIZ-DLBZAZTESA-N 2 1 292.442 3.625 20 0 CHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1F ZINC000550323359 334220282 /nfs/dbraw/zinc/22/02/82/334220282.db2.gz XLATWSYRVOWQIZ-DLBZAZTESA-N 2 1 292.442 3.625 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)c2cccs2)C1 ZINC000246992336 334273529 /nfs/dbraw/zinc/27/35/29/334273529.db2.gz KGQQACVVVRFEQX-ZIAGYGMSSA-N 2 1 266.454 3.521 20 0 CHADMP C[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000247018981 334273960 /nfs/dbraw/zinc/27/39/60/334273960.db2.gz XTZWKGISYXFYJC-KPFFTGBYSA-N 2 1 298.474 3.739 20 0 CHADMP C[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000247018981 334273962 /nfs/dbraw/zinc/27/39/62/334273962.db2.gz XTZWKGISYXFYJC-KPFFTGBYSA-N 2 1 298.474 3.739 20 0 CHADMP C[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000247018981 334273963 /nfs/dbraw/zinc/27/39/63/334273963.db2.gz XTZWKGISYXFYJC-KPFFTGBYSA-N 2 1 298.474 3.739 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC3CCC2CC3)C[C@@H]1c1ccccc1 ZINC000550754687 334228467 /nfs/dbraw/zinc/22/84/67/334228467.db2.gz ZLPKLMJQJGVWHH-SSYYCLFMSA-N 2 1 298.474 3.990 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC3CCC2CC3)C[C@@H]1c1ccccc1 ZINC000550754687 334228468 /nfs/dbraw/zinc/22/84/68/334228468.db2.gz ZLPKLMJQJGVWHH-SSYYCLFMSA-N 2 1 298.474 3.990 20 0 CHADMP Cc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000551000063 334235965 /nfs/dbraw/zinc/23/59/65/334235965.db2.gz ZEEGJDRAXWNDDJ-PMACEKPBSA-N 2 1 294.442 3.920 20 0 CHADMP Cc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000551000063 334235966 /nfs/dbraw/zinc/23/59/66/334235966.db2.gz ZEEGJDRAXWNDDJ-PMACEKPBSA-N 2 1 294.442 3.920 20 0 CHADMP Cc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000551000065 334235972 /nfs/dbraw/zinc/23/59/72/334235972.db2.gz ZEEGJDRAXWNDDJ-VQTJNVASSA-N 2 1 294.442 3.920 20 0 CHADMP Cc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000551000065 334235973 /nfs/dbraw/zinc/23/59/73/334235973.db2.gz ZEEGJDRAXWNDDJ-VQTJNVASSA-N 2 1 294.442 3.920 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(C2CC2)c1 ZINC000551050626 334237221 /nfs/dbraw/zinc/23/72/21/334237221.db2.gz JKAHUXPTOMLHHN-GJZGRUSLSA-N 2 1 272.436 3.556 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+](CC2(C)CCC2)CC1 ZINC000551093221 334238460 /nfs/dbraw/zinc/23/84/60/334238460.db2.gz NUBPDYDXNGJFRD-UHFFFAOYSA-N 2 1 266.473 3.621 20 0 CHADMP CCC1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000551525856 334252575 /nfs/dbraw/zinc/25/25/75/334252575.db2.gz TWCPASWQSCBQEV-NHFHULPWSA-N 2 1 286.463 3.675 20 0 CHADMP CCC1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000551525856 334252577 /nfs/dbraw/zinc/25/25/77/334252577.db2.gz TWCPASWQSCBQEV-NHFHULPWSA-N 2 1 286.463 3.675 20 0 CHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2)C1 ZINC000247109930 334275787 /nfs/dbraw/zinc/27/57/87/334275787.db2.gz SZNYMYKVSHYMCD-ZIAGYGMSSA-N 2 1 296.405 3.736 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2)C1 ZINC000247109930 334275789 /nfs/dbraw/zinc/27/57/89/334275789.db2.gz SZNYMYKVSHYMCD-ZIAGYGMSSA-N 2 1 296.405 3.736 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccsc2)C1 ZINC000246433224 334257487 /nfs/dbraw/zinc/25/74/87/334257487.db2.gz OAMOTTYSQJUEEX-CABCVRRESA-N 2 1 280.481 3.767 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC000247519334 334284317 /nfs/dbraw/zinc/28/43/17/334284317.db2.gz NGXXPTWTQRWAJC-HUUCEWRRSA-N 2 1 278.415 3.550 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC000247519334 334284318 /nfs/dbraw/zinc/28/43/18/334284318.db2.gz NGXXPTWTQRWAJC-HUUCEWRRSA-N 2 1 278.415 3.550 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCCC(F)(F)F ZINC000552098523 334289315 /nfs/dbraw/zinc/28/93/15/334289315.db2.gz GCTSPXVQIXIMHU-OLZOCXBDSA-N 2 1 280.378 3.572 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCCC(F)(F)F ZINC000552098523 334289317 /nfs/dbraw/zinc/28/93/17/334289317.db2.gz GCTSPXVQIXIMHU-OLZOCXBDSA-N 2 1 280.378 3.572 20 0 CHADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CCCC(C)(C)C3)C2)C1 ZINC000552111109 334290644 /nfs/dbraw/zinc/29/06/44/334290644.db2.gz QQAQRRYRRNCLGT-AEFFLSMTSA-N 2 1 278.484 3.621 20 0 CHADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H]3CCCC(C)(C)C3)C2)C1 ZINC000552111109 334290645 /nfs/dbraw/zinc/29/06/45/334290645.db2.gz QQAQRRYRRNCLGT-AEFFLSMTSA-N 2 1 278.484 3.621 20 0 CHADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H]3CCCC(C)(C)C3)C2)C1 ZINC000552111109 334290647 /nfs/dbraw/zinc/29/06/47/334290647.db2.gz QQAQRRYRRNCLGT-AEFFLSMTSA-N 2 1 278.484 3.621 20 0 CHADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3CCCC(C)(C)C3)C2)C1 ZINC000552111111 334290672 /nfs/dbraw/zinc/29/06/72/334290672.db2.gz QQAQRRYRRNCLGT-SJLPKXTDSA-N 2 1 278.484 3.621 20 0 CHADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H]3CCCC(C)(C)C3)C2)C1 ZINC000552111111 334290673 /nfs/dbraw/zinc/29/06/73/334290673.db2.gz QQAQRRYRRNCLGT-SJLPKXTDSA-N 2 1 278.484 3.621 20 0 CHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H]3CCCC(C)(C)C3)C2)C1 ZINC000552111111 334290675 /nfs/dbraw/zinc/29/06/75/334290675.db2.gz QQAQRRYRRNCLGT-SJLPKXTDSA-N 2 1 278.484 3.621 20 0 CHADMP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000552246408 334307790 /nfs/dbraw/zinc/30/77/90/334307790.db2.gz TWRPYMVAVKPYHQ-DMRKSPOLSA-N 2 1 296.524 3.513 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000552248726 334308507 /nfs/dbraw/zinc/30/85/07/334308507.db2.gz QWCKWZYFQGGAGQ-SLFFLAALSA-N 2 1 294.442 3.802 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)C1 ZINC000248616613 334309002 /nfs/dbraw/zinc/30/90/02/334309002.db2.gz AQFFJIWHEYTYLJ-NXHRZFHOSA-N 2 1 286.463 3.500 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)C1 ZINC000248616603 334309209 /nfs/dbraw/zinc/30/92/09/334309209.db2.gz AQFFJIWHEYTYLJ-KBAYOESNSA-N 2 1 286.463 3.500 20 0 CHADMP Cc1ccc(SC[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000248653737 334311237 /nfs/dbraw/zinc/31/12/37/334311237.db2.gz ZHGUTISOVCOGEZ-JYJNAYRXSA-N 2 1 292.492 3.548 20 0 CHADMP Cc1ccc(SC[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000248653737 334311238 /nfs/dbraw/zinc/31/12/38/334311238.db2.gz ZHGUTISOVCOGEZ-JYJNAYRXSA-N 2 1 292.492 3.548 20 0 CHADMP C[C@@H]1CCCc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000248749132 334315855 /nfs/dbraw/zinc/31/58/55/334315855.db2.gz FRBTUEWMQXWMNC-HGKSCXNLSA-N 2 1 298.474 3.917 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc3ccccc3c2)C1 ZINC000249382733 334332872 /nfs/dbraw/zinc/33/28/72/334332872.db2.gz UIGCVVUXCZETGX-HZPDHXFCSA-N 2 1 282.431 3.832 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc3ccccc32)C1 ZINC000249381940 334332879 /nfs/dbraw/zinc/33/28/79/334332879.db2.gz SFIMVMBBGGQFLF-HZPDHXFCSA-N 2 1 282.431 3.832 20 0 CHADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2oc3ccccc3c2C)C1 ZINC000249379517 334332938 /nfs/dbraw/zinc/33/29/38/334332938.db2.gz PHFRVMKEHJVFJS-CABCVRRESA-N 2 1 286.419 3.734 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2oc3ccccc3c2C)C1 ZINC000249379517 334332939 /nfs/dbraw/zinc/33/29/39/334332939.db2.gz PHFRVMKEHJVFJS-CABCVRRESA-N 2 1 286.419 3.734 20 0 CHADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2oc3ccccc3c2C)C1 ZINC000249379521 334332958 /nfs/dbraw/zinc/33/29/58/334332958.db2.gz PHFRVMKEHJVFJS-HUUCEWRRSA-N 2 1 286.419 3.734 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2oc3ccccc3c2C)C1 ZINC000249379521 334332960 /nfs/dbraw/zinc/33/29/60/334332960.db2.gz PHFRVMKEHJVFJS-HUUCEWRRSA-N 2 1 286.419 3.734 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](c2ccccc2)CC1 ZINC000089427210 334344931 /nfs/dbraw/zinc/34/49/31/334344931.db2.gz XIXQHQXYKPJGBN-OALUTQOASA-N 2 1 286.463 3.740 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000089427210 334344933 /nfs/dbraw/zinc/34/49/33/334344933.db2.gz XIXQHQXYKPJGBN-OALUTQOASA-N 2 1 286.463 3.740 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000089427210 334344934 /nfs/dbraw/zinc/34/49/34/334344934.db2.gz XIXQHQXYKPJGBN-OALUTQOASA-N 2 1 286.463 3.740 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(Cl)c1 ZINC000250891238 334352896 /nfs/dbraw/zinc/35/28/96/334352896.db2.gz DOHVFYWEYFGBMT-KCXAZCMYSA-N 2 1 278.827 3.617 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)Cc1ccccc1 ZINC000090016005 334355740 /nfs/dbraw/zinc/35/57/40/334355740.db2.gz NAHROUQCPPEVPL-SOLBZPMBSA-N 2 1 288.479 3.574 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)s1 ZINC000251235118 334358542 /nfs/dbraw/zinc/35/85/42/334358542.db2.gz NZAXWRHAJZKZCT-UKRRQHHQSA-N 2 1 280.481 3.972 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000251296225 334359568 /nfs/dbraw/zinc/35/95/68/334359568.db2.gz AQMYUEGIVPUNSN-IKGGRYGDSA-N 2 1 264.457 3.562 20 0 CHADMP CC[C@H](C[C@@H](C)CC)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000251672516 334366573 /nfs/dbraw/zinc/36/65/73/334366573.db2.gz COIJQWRMOHFKNO-BFZKSOEOSA-N 2 1 266.473 3.806 20 0 CHADMP CC[C@H](C[C@@H](C)CC)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000251672516 334366574 /nfs/dbraw/zinc/36/65/74/334366574.db2.gz COIJQWRMOHFKNO-BFZKSOEOSA-N 2 1 266.473 3.806 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCc3ccccc32)CC[N@@H+]1C ZINC000251715357 334367963 /nfs/dbraw/zinc/36/79/63/334367963.db2.gz BUORVAQHVXGKBC-KYJSFNMBSA-N 2 1 272.436 3.526 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCc3ccccc32)CC[N@H+]1C ZINC000251715357 334367964 /nfs/dbraw/zinc/36/79/64/334367964.db2.gz BUORVAQHVXGKBC-KYJSFNMBSA-N 2 1 272.436 3.526 20 0 CHADMP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251747039 334368570 /nfs/dbraw/zinc/36/85/70/334368570.db2.gz QGSDNVAJAXYRGP-DMDPSCGWSA-N 2 1 284.806 3.599 20 0 CHADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251747039 334368572 /nfs/dbraw/zinc/36/85/72/334368572.db2.gz QGSDNVAJAXYRGP-DMDPSCGWSA-N 2 1 284.806 3.599 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000252211585 334377003 /nfs/dbraw/zinc/37/70/03/334377003.db2.gz YGJAPLBNHYHMIN-NCOADZHNSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000252211585 334377004 /nfs/dbraw/zinc/37/70/04/334377004.db2.gz YGJAPLBNHYHMIN-NCOADZHNSA-N 2 1 266.473 3.664 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2c2ccccc2)C1 ZINC000252438602 334380001 /nfs/dbraw/zinc/38/00/01/334380001.db2.gz DPTKTCXLTPRJLI-NEWSRXKRSA-N 2 1 286.463 3.644 20 0 CHADMP C[C@H](CCc1ccccc1)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000553469635 334387026 /nfs/dbraw/zinc/38/70/26/334387026.db2.gz XOFPOWJRSZTSTF-IEBWSBKVSA-N 2 1 288.479 3.529 20 0 CHADMP C[C@H](CCc1ccccc1)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000553469635 334387027 /nfs/dbraw/zinc/38/70/27/334387027.db2.gz XOFPOWJRSZTSTF-IEBWSBKVSA-N 2 1 288.479 3.529 20 0 CHADMP C[C@H](CCc1ccccc1)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000553469635 334387028 /nfs/dbraw/zinc/38/70/28/334387028.db2.gz XOFPOWJRSZTSTF-IEBWSBKVSA-N 2 1 288.479 3.529 20 0 CHADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000564822663 334522591 /nfs/dbraw/zinc/52/25/91/334522591.db2.gz KSISLQKXBVDMIM-LBPRGKRZSA-N 2 1 297.512 3.788 20 0 CHADMP C[C@H]1C[C@H]([N@@H+](C)CC2(C)CC2)CCN1Cc1ccccc1 ZINC000576528228 335215436 /nfs/dbraw/zinc/21/54/36/335215436.db2.gz UKGHYPRQXZEGAT-FUHWJXTLSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)CC2(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000576528228 335215437 /nfs/dbraw/zinc/21/54/37/335215437.db2.gz UKGHYPRQXZEGAT-FUHWJXTLSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)CC2(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000576528228 335215438 /nfs/dbraw/zinc/21/54/38/335215438.db2.gz UKGHYPRQXZEGAT-FUHWJXTLSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@H]1C[C@H]([N@H+](C)CC2(C)CC2)CC[NH+]1Cc1ccccc1 ZINC000576528228 335215439 /nfs/dbraw/zinc/21/54/39/335215439.db2.gz UKGHYPRQXZEGAT-FUHWJXTLSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@H]1C[C@H]([N@@H+](C)CC2(C)CC2)CC[NH+]1Cc1ccccc1 ZINC000576528228 335215440 /nfs/dbraw/zinc/21/54/40/335215440.db2.gz UKGHYPRQXZEGAT-FUHWJXTLSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@H]1C[C@@H]([N@@H+](C)CC2(C)CC2)CCN1Cc1ccccc1 ZINC000576528230 335215505 /nfs/dbraw/zinc/21/55/05/335215505.db2.gz UKGHYPRQXZEGAT-WMZOPIPTSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)CC2(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000576528230 335215506 /nfs/dbraw/zinc/21/55/06/335215506.db2.gz UKGHYPRQXZEGAT-WMZOPIPTSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)CC2(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000576528230 335215507 /nfs/dbraw/zinc/21/55/07/335215507.db2.gz UKGHYPRQXZEGAT-WMZOPIPTSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@H]1C[C@@H]([N@H+](C)CC2(C)CC2)CC[NH+]1Cc1ccccc1 ZINC000576528230 335215508 /nfs/dbraw/zinc/21/55/08/335215508.db2.gz UKGHYPRQXZEGAT-WMZOPIPTSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@H]1C[C@@H]([N@@H+](C)CC2(C)CC2)CC[NH+]1Cc1ccccc1 ZINC000576528230 335215509 /nfs/dbraw/zinc/21/55/09/335215509.db2.gz UKGHYPRQXZEGAT-WMZOPIPTSA-N 2 1 286.463 3.771 20 0 CHADMP CCc1ccc([C@H](CC)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000344295536 335246600 /nfs/dbraw/zinc/24/66/00/335246600.db2.gz UCPVJACJQFJIMY-SFHVURJKSA-N 2 1 272.436 3.552 20 0 CHADMP c1ccc([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000577226826 335326471 /nfs/dbraw/zinc/32/64/71/335326471.db2.gz SEQGJLLGTCKBKP-HXUWFJFHSA-N 2 1 292.426 3.669 20 0 CHADMP COc1ccccc1[C@H](C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000184496246 335927205 /nfs/dbraw/zinc/92/72/05/335927205.db2.gz KFSVEORPRCQYAT-HOTGVXAUSA-N 2 1 290.451 3.610 20 0 CHADMP CC(C)CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C(C)(C)C ZINC000581154167 336016432 /nfs/dbraw/zinc/01/64/32/336016432.db2.gz CAWHQAVNMDHJGP-CVEARBPZSA-N 2 1 268.489 3.769 20 0 CHADMP Cc1ccc(C2CC([NH2+][C@@H](C)C[N@H+](C)C(C)C)C2)cc1 ZINC000380954244 336040769 /nfs/dbraw/zinc/04/07/69/336040769.db2.gz KVFJNCXBDUXXFD-ZLPCBKJTSA-N 2 1 274.452 3.559 20 0 CHADMP Cc1ccc(C2CC([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C2)cc1 ZINC000380954244 336040771 /nfs/dbraw/zinc/04/07/71/336040771.db2.gz KVFJNCXBDUXXFD-ZLPCBKJTSA-N 2 1 274.452 3.559 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCCCF)C2)s1 ZINC000581313442 336046835 /nfs/dbraw/zinc/04/68/35/336046835.db2.gz FZVCNTDFWQFBAV-HNNXBMFYSA-N 2 1 298.471 3.560 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCCCF)C2)s1 ZINC000581313442 336046837 /nfs/dbraw/zinc/04/68/37/336046837.db2.gz FZVCNTDFWQFBAV-HNNXBMFYSA-N 2 1 298.471 3.560 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCCCF)C2)s1 ZINC000581313442 336046839 /nfs/dbraw/zinc/04/68/39/336046839.db2.gz FZVCNTDFWQFBAV-HNNXBMFYSA-N 2 1 298.471 3.560 20 0 CHADMP CC(C)CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)C(C)(C)C ZINC000581451985 336079702 /nfs/dbraw/zinc/07/97/02/336079702.db2.gz BORMPDUNHWPTPL-INIZCTEOSA-N 2 1 266.473 3.689 20 0 CHADMP CC1(C)C[N@@H+](Cc2cccc3nccn32)[C@@H]1c1cccs1 ZINC000581456629 336080136 /nfs/dbraw/zinc/08/01/36/336080136.db2.gz NCZSHEJPIIQDMF-MRXNPFEDSA-N 2 1 297.427 3.979 20 0 CHADMP CCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000382053911 336080914 /nfs/dbraw/zinc/08/09/14/336080914.db2.gz NNNUFXMDZIVEEG-QXAKKESOSA-N 2 1 286.463 3.629 20 0 CHADMP CCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000382053911 336080915 /nfs/dbraw/zinc/08/09/15/336080915.db2.gz NNNUFXMDZIVEEG-QXAKKESOSA-N 2 1 286.463 3.629 20 0 CHADMP CCC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000382053911 336080916 /nfs/dbraw/zinc/08/09/16/336080916.db2.gz NNNUFXMDZIVEEG-QXAKKESOSA-N 2 1 286.463 3.629 20 0 CHADMP CC(C)[NH+](CCSCC[C@H]1CCCC[N@H+]1C)C(C)C ZINC000340702496 519650693 /nfs/dbraw/zinc/65/06/93/519650693.db2.gz BPEJYNICCMQLJG-MRXNPFEDSA-N 2 1 286.529 3.713 20 0 CHADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000020189219 519672404 /nfs/dbraw/zinc/67/24/04/519672404.db2.gz MZBGQSORNZHJHD-MRXNPFEDSA-N 2 1 290.476 3.686 20 0 CHADMP CC(C)Oc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000130111470 519783721 /nfs/dbraw/zinc/78/37/21/519783721.db2.gz KNMSIVAUNCBAMG-VYDXJSESSA-N 2 1 290.451 3.607 20 0 CHADMP CC(C)Oc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000130111470 519783722 /nfs/dbraw/zinc/78/37/22/519783722.db2.gz KNMSIVAUNCBAMG-VYDXJSESSA-N 2 1 290.451 3.607 20 0 CHADMP CC(C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000126798697 519813105 /nfs/dbraw/zinc/81/31/05/519813105.db2.gz NRPVQBCXJSLQPC-LSDHHAIUSA-N 2 1 280.481 3.594 20 0 CHADMP CC(C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000126798697 519813106 /nfs/dbraw/zinc/81/31/06/519813106.db2.gz NRPVQBCXJSLQPC-LSDHHAIUSA-N 2 1 280.481 3.594 20 0 CHADMP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000037062480 520772104 /nfs/dbraw/zinc/77/21/04/520772104.db2.gz LXDGQVIVYCZIGQ-HQSKLWIPSA-N 2 1 272.436 3.743 20 0 CHADMP CCC[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000278984664 521161624 /nfs/dbraw/zinc/16/16/24/521161624.db2.gz PHPDCVHJZMVCOC-RDJZCZTQSA-N 2 1 283.419 3.577 20 0 CHADMP CCC(CC)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000119504545 521531852 /nfs/dbraw/zinc/53/18/52/521531852.db2.gz IUKZVWFJKBUIFY-UHFFFAOYSA-N 2 1 288.479 3.719 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(SC)cc2)CC1 ZINC000036994311 521581408 /nfs/dbraw/zinc/58/14/08/521581408.db2.gz JXTLDIUNVBVUID-CYBMUJFWSA-N 2 1 278.465 3.543 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000275440361 521582375 /nfs/dbraw/zinc/58/23/75/521582375.db2.gz FANZXEGIJWWEEA-YJBOKZPZSA-N 2 1 290.426 3.536 20 0 CHADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2oc3ccccc3c2C)C1 ZINC000037644449 521717894 /nfs/dbraw/zinc/71/78/94/521717894.db2.gz PHFRVMKEHJVFJS-LSDHHAIUSA-N 2 1 286.419 3.734 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2oc3ccccc3c2C)C1 ZINC000037644449 521717895 /nfs/dbraw/zinc/71/78/95/521717895.db2.gz PHFRVMKEHJVFJS-LSDHHAIUSA-N 2 1 286.419 3.734 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(C)cc1 ZINC000037649153 522633262 /nfs/dbraw/zinc/63/32/62/522633262.db2.gz FCBQOFFGWZJELH-QAPCUYQASA-N 2 1 272.436 3.520 20 0 CHADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000130478751 524479269 /nfs/dbraw/zinc/47/92/69/524479269.db2.gz YUKUVOMLLIZUBX-GMXVVIOVSA-N 2 1 284.494 3.603 20 0 CHADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000279064308 524964389 /nfs/dbraw/zinc/96/43/89/524964389.db2.gz ZJNXTKKNDDUXNJ-HLLBOEOZSA-N 2 1 295.430 3.592 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)c(Cl)c1 ZINC000037140822 525401360 /nfs/dbraw/zinc/40/13/60/525401360.db2.gz UWUFOQMSXVWOJY-LLVKDONJSA-N 2 1 296.817 3.757 20 0 CHADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccc(Cl)cn1 ZINC000274822159 525491160 /nfs/dbraw/zinc/49/11/60/525491160.db2.gz BSDVOIFKFTVLJJ-UONOGXRCSA-N 2 1 295.858 3.508 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2ccccc2o1 ZINC000130241768 525620481 /nfs/dbraw/zinc/62/04/81/525620481.db2.gz DILJQEMXINZUNJ-CWRNSKLLSA-N 2 1 284.403 3.710 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc2ccccc2o1 ZINC000130241768 525620487 /nfs/dbraw/zinc/62/04/87/525620487.db2.gz DILJQEMXINZUNJ-CWRNSKLLSA-N 2 1 284.403 3.710 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000280310613 526053338 /nfs/dbraw/zinc/05/33/38/526053338.db2.gz ORONSHGJNBYESD-KBPBESRZSA-N 2 1 292.854 3.684 20 0 CHADMP c1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000278450925 526491330 /nfs/dbraw/zinc/49/13/30/526491330.db2.gz LLSWZHQRDQURBB-CADBVGFASA-N 2 1 284.447 3.539 20 0 CHADMP Clc1ccsc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000278403899 526993430 /nfs/dbraw/zinc/99/34/30/526993430.db2.gz GDFZDOUYKOCOJW-UHFFFAOYSA-N 2 1 281.812 3.504 20 0 CHADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)C2CC2)c2ccccc21 ZINC000227537780 527376426 /nfs/dbraw/zinc/37/64/26/527376426.db2.gz ZXWJXWNFOGBAIK-QRVBRYPASA-N 2 1 278.399 3.872 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 ZINC000289620436 527405176 /nfs/dbraw/zinc/40/51/76/527405176.db2.gz WIGGLCMAQSFSFL-WMLDXEAASA-N 2 1 275.440 3.554 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000049329859 527433757 /nfs/dbraw/zinc/43/37/57/527433757.db2.gz YVSJWLYLBGMMMD-SNVBAGLBSA-N 2 1 298.217 3.849 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3ccccc3n2)C[C@@H]1C ZINC000353749443 527835001 /nfs/dbraw/zinc/83/50/01/527835001.db2.gz KYYQWUJWBFSMNV-YJBOKZPZSA-N 2 1 297.446 3.539 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3ccccc3n2)C[C@@H]1C ZINC000353749443 527835004 /nfs/dbraw/zinc/83/50/04/527835004.db2.gz KYYQWUJWBFSMNV-YJBOKZPZSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3ccccc3n2)C[C@@H]1C ZINC000353749443 527835009 /nfs/dbraw/zinc/83/50/09/527835009.db2.gz KYYQWUJWBFSMNV-YJBOKZPZSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3ccccc3n2)C[C@@H]1C ZINC000353749443 527835011 /nfs/dbraw/zinc/83/50/11/527835011.db2.gz KYYQWUJWBFSMNV-YJBOKZPZSA-N 2 1 297.446 3.539 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccc(C)cc32)[C@@H](C)C1 ZINC000352611844 527889206 /nfs/dbraw/zinc/88/92/06/527889206.db2.gz KNWOXNDLGGOMIV-SNRMKQJTSA-N 2 1 286.463 3.692 20 0 CHADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc3occc3c2)CC1 ZINC000352767018 527963989 /nfs/dbraw/zinc/96/39/89/527963989.db2.gz AZYSTJHBJLOEKG-UHFFFAOYSA-N 2 1 286.419 3.643 20 0 CHADMP CCC(CC)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192929999 528761597 /nfs/dbraw/zinc/76/15/97/528761597.db2.gz XSVOEFLDELXHAU-GOSISDBHSA-N 2 1 274.452 3.534 20 0 CHADMP CCC[C@@H](C)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192923350 528878547 /nfs/dbraw/zinc/87/85/47/528878547.db2.gz GQEZWCLBMHIOFB-SJLPKXTDSA-N 2 1 274.452 3.534 20 0 CHADMP CCSc1ccccc1[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344302022 529257560 /nfs/dbraw/zinc/25/75/60/529257560.db2.gz SGKJYZJGLCMNSH-AWEZNQCLSA-N 2 1 290.476 3.711 20 0 CHADMP C[C@H]1CCC[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000086670906 1125478341 /nfs/dbraw/zinc/47/83/41/1125478341.db2.gz SIWVEWAYCNDDOC-DLBZAZTESA-N 2 1 278.484 3.953 20 0 CHADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCSCC1 ZINC000657874084 1119588697 /nfs/dbraw/zinc/58/86/97/1119588697.db2.gz YAUIBBQOKQCRKZ-JKSUJKDBSA-N 2 1 284.513 3.516 20 0 CHADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCSCC1 ZINC000657874084 1119588701 /nfs/dbraw/zinc/58/87/01/1119588701.db2.gz YAUIBBQOKQCRKZ-JKSUJKDBSA-N 2 1 284.513 3.516 20 0 CHADMP C[C@@H]1CC[C@H]([NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000093336724 1125502687 /nfs/dbraw/zinc/50/26/87/1125502687.db2.gz AKLMXKOQCLHJQJ-NEWSRXKRSA-N 2 1 286.463 3.629 20 0 CHADMP Clc1ccsc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344003 1120941140 /nfs/dbraw/zinc/94/11/40/1120941140.db2.gz LVAMXUAVPSGIOZ-ZDUSSCGKSA-N 2 1 298.883 3.613 20 0 CHADMP Clc1ccsc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344003 1120941144 /nfs/dbraw/zinc/94/11/44/1120941144.db2.gz LVAMXUAVPSGIOZ-ZDUSSCGKSA-N 2 1 298.883 3.613 20 0 CHADMP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCC[C@H](OC)CC1)CC(C)C ZINC001177209257 1121716977 /nfs/dbraw/zinc/71/69/77/1121716977.db2.gz KQPHMGMLVRTLBL-BZSNNMDCSA-N 2 1 298.515 3.680 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC001182152079 1122114832 /nfs/dbraw/zinc/11/48/32/1122114832.db2.gz IGOVTZVHXBDIOG-HYVNUMGLSA-N 2 1 266.473 3.665 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC001182152079 1122114840 /nfs/dbraw/zinc/11/48/40/1122114840.db2.gz IGOVTZVHXBDIOG-HYVNUMGLSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(Cl)c1 ZINC001206556436 1122204081 /nfs/dbraw/zinc/20/40/81/1122204081.db2.gz RSIZIUYKROUATD-INIZCTEOSA-N 2 1 280.843 3.599 20 0 CHADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCCSc1ccccc1Cl ZINC000516659729 1122618255 /nfs/dbraw/zinc/61/82/55/1122618255.db2.gz CJCANLLJGJSKOZ-CHWSQXEVSA-N 2 1 298.883 3.634 20 0 CHADMP CCC[NH+]1C[C@@H]2C[N@@H+](C[C@@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001201496811 1123110626 /nfs/dbraw/zinc/11/06/26/1123110626.db2.gz RTZCVKFNVUUWGM-OKZBNKHCSA-N 2 1 278.484 3.643 20 0 CHADMP CCC[NH+]1C[C@@H]2C[N@H+](C[C@@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001201496811 1123110628 /nfs/dbraw/zinc/11/06/28/1123110628.db2.gz RTZCVKFNVUUWGM-OKZBNKHCSA-N 2 1 278.484 3.643 20 0 CHADMP CCC[C@H](C)C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001201550291 1123118046 /nfs/dbraw/zinc/11/80/46/1123118046.db2.gz IEXKBTYYXHEHEA-DLBZAZTESA-N 2 1 266.473 3.763 20 0 CHADMP CCCC[C@H](CC)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001201567924 1123125782 /nfs/dbraw/zinc/12/57/82/1123125782.db2.gz LFNZQCSTUWPBLK-INIZCTEOSA-N 2 1 266.473 3.621 20 0 CHADMP CCC[N@H+](CC)CC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000474041203 1123363390 /nfs/dbraw/zinc/36/33/90/1123363390.db2.gz GISFUTGMIRHGNP-CYBMUJFWSA-N 2 1 276.415 3.522 20 0 CHADMP CCC[N@@H+](CC)CC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000474041203 1123363393 /nfs/dbraw/zinc/36/33/93/1123363393.db2.gz GISFUTGMIRHGNP-CYBMUJFWSA-N 2 1 276.415 3.522 20 0 CHADMP Cc1cccc([C@H](C)[NH+]2CCC([NH2+]C(C)C)CC2)c1 ZINC000173309591 1123535615 /nfs/dbraw/zinc/53/56/15/1123535615.db2.gz QEQXSAQGFLARNC-HNNXBMFYSA-N 2 1 260.425 3.518 20 0 CHADMP C[C@@H]1CCC[C@@H](CC[N@H+]2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000429531812 1123557777 /nfs/dbraw/zinc/55/77/77/1123557777.db2.gz WRDALCDVBXFXBG-IKGGRYGDSA-N 2 1 266.473 3.619 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCC(C(C)(C)C)CC2)C1 ZINC000040620939 1125388816 /nfs/dbraw/zinc/38/88/16/1125388816.db2.gz GLDYCLXTOZNOIF-KLAILNCOSA-N 2 1 280.500 3.911 20 0 CHADMP Cc1csc2sc(C[N@@H+](C)CCC[NH+](C)C)c(C)c12 ZINC001231827779 1132372802 /nfs/dbraw/zinc/37/28/02/1132372802.db2.gz ARJMNRKJOQETST-UHFFFAOYSA-N 2 1 296.505 3.963 20 0 CHADMP Cc1csc2sc(C[N@H+](C)CCC[NH+](C)C)c(C)c12 ZINC001231827779 1132372808 /nfs/dbraw/zinc/37/28/08/1132372808.db2.gz ARJMNRKJOQETST-UHFFFAOYSA-N 2 1 296.505 3.963 20 0 CHADMP CCCC[C@H](CC(C)C)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC001173254760 1132423237 /nfs/dbraw/zinc/42/32/37/1132423237.db2.gz AXVKZYKKPWVXOD-BZUAXINKSA-N 2 1 254.462 3.521 20 0 CHADMP CCCC[C@H](CC(C)C)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001173254760 1132423240 /nfs/dbraw/zinc/42/32/40/1132423240.db2.gz AXVKZYKKPWVXOD-BZUAXINKSA-N 2 1 254.462 3.521 20 0 CHADMP C[C@@H]1CCC[C@](C[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)([NH+](C)C)C1 ZINC000251919974 1125521567 /nfs/dbraw/zinc/52/15/67/1125521567.db2.gz UOWAHKXLPWBCNB-ZBRFXRBCSA-N 2 1 280.500 3.911 20 0 CHADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)([NH+](C)C)C1 ZINC000251986873 1125532067 /nfs/dbraw/zinc/53/20/67/1125532067.db2.gz ZBUPITHWSRRUPI-ICUGJSFKSA-N 2 1 280.500 3.911 20 0 CHADMP Cc1cccc(C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)c1 ZINC000119725512 1125537417 /nfs/dbraw/zinc/53/74/17/1125537417.db2.gz RVEQJKHBURRXIV-HXUWFJFHSA-N 2 1 298.474 3.533 20 0 CHADMP CC(C)[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000532770026 1125577329 /nfs/dbraw/zinc/57/73/29/1125577329.db2.gz QRAFOXPMYYSILZ-ZWKOTPCHSA-N 2 1 274.452 3.848 20 0 CHADMP CC(C)[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000532770023 1125577458 /nfs/dbraw/zinc/57/74/58/1125577458.db2.gz QRAFOXPMYYSILZ-MSOLQXFVSA-N 2 1 274.452 3.848 20 0 CHADMP Cc1cc(C)cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000533534706 1125614819 /nfs/dbraw/zinc/61/48/19/1125614819.db2.gz MYGPGYZQOYSKRM-AZUAARDMSA-N 2 1 298.474 3.752 20 0 CHADMP Cc1cc(C)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000533534706 1125614821 /nfs/dbraw/zinc/61/48/21/1125614821.db2.gz MYGPGYZQOYSKRM-AZUAARDMSA-N 2 1 298.474 3.752 20 0 CHADMP C[C@H](CC[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1)CC(C)(C)C ZINC001205981738 1125620666 /nfs/dbraw/zinc/62/06/66/1125620666.db2.gz GITCIFWAHKIVGZ-BZUAXINKSA-N 2 1 268.489 3.756 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(C)c(C)cc1C ZINC000237354635 1125621566 /nfs/dbraw/zinc/62/15/66/1125621566.db2.gz GPZZBLIGPGUMCM-ZDUSSCGKSA-N 2 1 285.435 3.543 20 0 CHADMP C[C@H]([NH2+]CCC1(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348359644 1125642187 /nfs/dbraw/zinc/64/21/87/1125642187.db2.gz TYEIRZXPYSIPCU-WMZOPIPTSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1(C)CC1 ZINC000246812625 1125649061 /nfs/dbraw/zinc/64/90/61/1125649061.db2.gz AQRLHDNWCMQHDC-OWCLPIDISA-N 2 1 266.473 3.523 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C1CCSCC1 ZINC000250139396 1125686030 /nfs/dbraw/zinc/68/60/30/1125686030.db2.gz YTIVGKUQWHYSBU-HZPDHXFCSA-N 2 1 298.540 3.620 20 0 CHADMP C[C@@H]1C[N@@H+](CCCc2ccccc2Cl)CCC[C@H]1C[NH3+] ZINC001205981882 1125693837 /nfs/dbraw/zinc/69/38/37/1125693837.db2.gz IOAUJVKWCAEBRL-ZBFHGGJFSA-N 2 1 294.870 3.579 20 0 CHADMP Cc1[nH]c(C2CC[NH+](C[C@H]3CCC(F)(F)C3)CC2)[nH+]c1C ZINC000886659512 1125704370 /nfs/dbraw/zinc/70/43/70/1125704370.db2.gz OKIGRBKDQCXIPX-ZDUSSCGKSA-N 2 1 297.393 3.641 20 0 CHADMP Cc1[nH]c(C2CC[NH+](CCCC3CCC3)CC2)[nH+]c1C ZINC000886659252 1125704568 /nfs/dbraw/zinc/70/45/68/1125704568.db2.gz HRLNVJGRNOABNW-UHFFFAOYSA-N 2 1 275.440 3.786 20 0 CHADMP Cc1[nH]c(C2CC[NH+](C/C=C\c3ccccc3)CC2)[nH+]c1C ZINC000886670844 1125706136 /nfs/dbraw/zinc/70/61/36/1125706136.db2.gz XEOXANONZFCZEO-TWGQIWQCSA-N 2 1 295.430 3.919 20 0 CHADMP C/C(=C\c1ccccc1)C[NH2+]CCCCn1cc[nH+]c1C ZINC000255282700 1125721127 /nfs/dbraw/zinc/72/11/27/1125721127.db2.gz WPXCDXQHKIKTIW-JQIJEIRASA-N 2 1 283.419 3.665 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+]C3(C4CC4)CCC3)CC2)cc1 ZINC000886824482 1125721362 /nfs/dbraw/zinc/72/13/62/1125721362.db2.gz AIQKOQHRWFQLGQ-UHFFFAOYSA-N 2 1 284.447 3.573 20 0 CHADMP [NH3+]CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886858111 1125723412 /nfs/dbraw/zinc/72/34/12/1125723412.db2.gz MYLNNEAWOKBIRS-KBPBESRZSA-N 2 1 292.389 3.560 20 0 CHADMP Cc1ccccc1-c1cccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000261879732 1125745810 /nfs/dbraw/zinc/74/58/10/1125745810.db2.gz UMWPBNPUWGVXPU-HXUWFJFHSA-N 2 1 294.442 3.833 20 0 CHADMP Cc1ccccc1-c1cccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000261879731 1125746115 /nfs/dbraw/zinc/74/61/15/1125746115.db2.gz UMWPBNPUWGVXPU-FQEVSTJZSA-N 2 1 294.442 3.833 20 0 CHADMP Cc1ccccc1[C@H](C(C)C)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261994344 1125748732 /nfs/dbraw/zinc/74/87/32/1125748732.db2.gz KPJNOLFIMGJWAZ-ROUUACIJSA-N 2 1 274.452 3.624 20 0 CHADMP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000262020643 1125750787 /nfs/dbraw/zinc/75/07/87/1125750787.db2.gz NCKMHNRHMOYXRN-CJNGLKHVSA-N 2 1 295.496 3.567 20 0 CHADMP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000262020643 1125750794 /nfs/dbraw/zinc/75/07/94/1125750794.db2.gz NCKMHNRHMOYXRN-CJNGLKHVSA-N 2 1 295.496 3.567 20 0 CHADMP CCC[N@@H+](Cc1ccc(C(F)F)cc1)C1CC[NH2+]CC1 ZINC000262016207 1125751194 /nfs/dbraw/zinc/75/11/94/1125751194.db2.gz VRSSWRQKOITALB-UHFFFAOYSA-N 2 1 282.378 3.588 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)s1 ZINC000093563765 1125772008 /nfs/dbraw/zinc/77/20/08/1125772008.db2.gz BUNKOMWHNOHMKI-HNNXBMFYSA-N 2 1 278.465 3.507 20 0 CHADMP c1cc(C2CCC2)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000508709280 1125778270 /nfs/dbraw/zinc/77/82/70/1125778270.db2.gz KIMMFVXAQPGSOV-GOSISDBHSA-N 2 1 298.474 3.872 20 0 CHADMP CCSc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000533785287 1125781618 /nfs/dbraw/zinc/78/16/18/1125781618.db2.gz RBHPTSYPZMIXRX-CABCVRRESA-N 2 1 292.492 3.791 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)cc(Cl)c2)[C@@H](C)C1 ZINC000508726523 1125784638 /nfs/dbraw/zinc/78/46/38/1125784638.db2.gz JHXORUCWGKQYIX-YOEHRIQHSA-N 2 1 294.870 3.811 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)cc(Cl)c2)[C@@H](C)C1 ZINC000508726523 1125784644 /nfs/dbraw/zinc/78/46/44/1125784644.db2.gz JHXORUCWGKQYIX-YOEHRIQHSA-N 2 1 294.870 3.811 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)cc(Cl)c2)[C@@H](C)C1 ZINC000508726523 1125784650 /nfs/dbraw/zinc/78/46/50/1125784650.db2.gz JHXORUCWGKQYIX-YOEHRIQHSA-N 2 1 294.870 3.811 20 0 CHADMP CC[N@@H+]1CCC[C@H](CNc2[nH+]ccc3ccc(C)cc32)C1 ZINC001118579685 1131232799 /nfs/dbraw/zinc/23/27/99/1131232799.db2.gz QDLWFQNELUEVNH-OAHLLOKOSA-N 2 1 283.419 3.687 20 0 CHADMP CC[N@H+]1CCC[C@H](CNc2[nH+]ccc3ccc(C)cc32)C1 ZINC001118579685 1131232803 /nfs/dbraw/zinc/23/28/03/1131232803.db2.gz QDLWFQNELUEVNH-OAHLLOKOSA-N 2 1 283.419 3.687 20 0 CHADMP CC1=C(C)C[C@@H]([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000638321324 1129253775 /nfs/dbraw/zinc/25/37/75/1129253775.db2.gz LNBFWIQRMACAQB-CVEARBPZSA-N 2 1 276.468 3.728 20 0 CHADMP CCCc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)s1 ZINC000621728022 1129186631 /nfs/dbraw/zinc/18/66/31/1129186631.db2.gz ZUGTVKIRVQEAMC-UHFFFAOYSA-N 2 1 291.464 3.728 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@@H]1CCC(C)C ZINC000338011854 1126710084 /nfs/dbraw/zinc/71/00/84/1126710084.db2.gz JEWBSNYDSZBHLH-IAGOWNOFSA-N 2 1 277.456 3.776 20 0 CHADMP CCc1ccc([C@@H](CC)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000338019218 1126711190 /nfs/dbraw/zinc/71/11/90/1126711190.db2.gz PRRXKMUTKRIKIX-GOSISDBHSA-N 2 1 285.435 3.885 20 0 CHADMP C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCn1cc[nH+]c1C ZINC000338141550 1126720624 /nfs/dbraw/zinc/72/06/24/1126720624.db2.gz DUIFIZJWHWODTD-ACCUITESSA-N 2 1 289.810 3.538 20 0 CHADMP CC[NH+](CC)CCC[N@H+](Cc1cccs1)C(C)C ZINC000338236144 1126726747 /nfs/dbraw/zinc/72/67/47/1126726747.db2.gz GXESQBFKRCKOTO-UHFFFAOYSA-N 2 1 268.470 3.690 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](Cc1cccs1)C(C)C ZINC000338236144 1126726749 /nfs/dbraw/zinc/72/67/49/1126726749.db2.gz GXESQBFKRCKOTO-UHFFFAOYSA-N 2 1 268.470 3.690 20 0 CHADMP Cc1nccn1CCCC[N@H+](C)[C@H](C)C1CCCCC1 ZINC000338348101 1126736663 /nfs/dbraw/zinc/73/66/63/1126736663.db2.gz YBIWFPWACDDWMA-OAHLLOKOSA-N 2 1 277.456 3.872 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](C)C1CCCCC1 ZINC000338348101 1126736664 /nfs/dbraw/zinc/73/66/64/1126736664.db2.gz YBIWFPWACDDWMA-OAHLLOKOSA-N 2 1 277.456 3.872 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](C)C1CCCCC1 ZINC000338348101 1126736666 /nfs/dbraw/zinc/73/66/66/1126736666.db2.gz YBIWFPWACDDWMA-OAHLLOKOSA-N 2 1 277.456 3.872 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC2CCCC2)C[C@@H]1C ZINC000483218041 1126773730 /nfs/dbraw/zinc/77/37/30/1126773730.db2.gz FNGLZLUQBLQPGT-DOTOQJQBSA-N 2 1 266.473 3.761 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCC2CCCC2)C[C@@H]1C ZINC000483218041 1126773732 /nfs/dbraw/zinc/77/37/32/1126773732.db2.gz FNGLZLUQBLQPGT-DOTOQJQBSA-N 2 1 266.473 3.761 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCC2CCCC2)C[C@@H]1C ZINC000483218041 1126773736 /nfs/dbraw/zinc/77/37/36/1126773736.db2.gz FNGLZLUQBLQPGT-DOTOQJQBSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@@H](CCCC(F)(F)F)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000163195101 1126800254 /nfs/dbraw/zinc/80/02/54/1126800254.db2.gz RRTVLBURTXTRGY-KBPBESRZSA-N 2 1 294.405 3.962 20 0 CHADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000177819186 1126805580 /nfs/dbraw/zinc/80/55/80/1126805580.db2.gz KNRFFKASCPMWMV-JZXOWHBKSA-N 2 1 274.452 3.500 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CCc2csc3ccccc23)CC[N@H+]1C ZINC000178047219 1126808431 /nfs/dbraw/zinc/80/84/31/1126808431.db2.gz OBXYOZHZQHDSKX-HIFRSBDPSA-N 2 1 288.460 3.516 20 0 CHADMP C[C@H](c1ccccc1)[N@@H+](CC1CCC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904322572 1126845882 /nfs/dbraw/zinc/84/58/82/1126845882.db2.gz DFZYKPUKNYOIJS-KYJSFNMBSA-N 2 1 272.436 3.587 20 0 CHADMP CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000181011429 1126851118 /nfs/dbraw/zinc/85/11/18/1126851118.db2.gz LZIGUWNLKFJURN-IPELMVKDSA-N 2 1 298.474 3.643 20 0 CHADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)cs2)C1 ZINC000904404899 1126851595 /nfs/dbraw/zinc/85/15/95/1126851595.db2.gz ADYAITAFBUZLKT-CQSZACIVSA-N 2 1 286.444 3.586 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(Cl)cc1F ZINC000189359913 1126931226 /nfs/dbraw/zinc/93/12/26/1126931226.db2.gz SCGYOBCIPMALAU-UHFFFAOYSA-N 2 1 295.789 3.554 20 0 CHADMP CCC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccsc1 ZINC000191190505 1126948659 /nfs/dbraw/zinc/94/86/59/1126948659.db2.gz RPUDNZWKBFGYEB-INIZCTEOSA-N 2 1 278.465 3.806 20 0 CHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000485701175 1126945460 /nfs/dbraw/zinc/94/54/60/1126945460.db2.gz ZYALAUMJBNAGHC-ZDUSSCGKSA-N 2 1 298.833 3.689 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000485701175 1126945461 /nfs/dbraw/zinc/94/54/61/1126945461.db2.gz ZYALAUMJBNAGHC-ZDUSSCGKSA-N 2 1 298.833 3.689 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1csc(Cl)c1 ZINC000191265662 1126949723 /nfs/dbraw/zinc/94/97/23/1126949723.db2.gz YDGLCQNECHYECX-GHMZBOCLSA-N 2 1 297.855 3.893 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CC1(C)C ZINC000486950113 1127011127 /nfs/dbraw/zinc/01/11/27/1127011127.db2.gz KNWFOFCPJQPKQW-PMPSAXMXSA-N 2 1 266.473 3.523 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000268851810 1127026022 /nfs/dbraw/zinc/02/60/22/1127026022.db2.gz KLBUVWHKEYDBJO-NSHDSACASA-N 2 1 295.789 3.725 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCc2sccc21 ZINC000268905968 1127027642 /nfs/dbraw/zinc/02/76/42/1127027642.db2.gz NEOZIXBNNVMBRR-WFASDCNBSA-N 2 1 289.448 3.556 20 0 CHADMP CC(C)(C)CC[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236453314 1130944963 /nfs/dbraw/zinc/94/49/63/1130944963.db2.gz BSWXMUPBPWDVHX-UHFFFAOYSA-N 2 1 254.462 3.523 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000268918768 1127028989 /nfs/dbraw/zinc/02/89/89/1127028989.db2.gz PSWGGFQSVTUZBD-ATZDWAIDSA-N 2 1 297.446 3.754 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CC1(C)C ZINC000487555991 1127034787 /nfs/dbraw/zinc/03/47/87/1127034787.db2.gz UGHZOXAMOCWCRO-QSJFSLAZSA-N 2 1 278.484 3.664 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000269943423 1127048515 /nfs/dbraw/zinc/04/85/15/1127048515.db2.gz SJRUFBAGJCXNLV-ZBFHGGJFSA-N 2 1 287.407 3.648 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000269943423 1127048518 /nfs/dbraw/zinc/04/85/18/1127048518.db2.gz SJRUFBAGJCXNLV-ZBFHGGJFSA-N 2 1 287.407 3.648 20 0 CHADMP C[C@H]1C[C@@H]1C[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236565681 1130976269 /nfs/dbraw/zinc/97/62/69/1130976269.db2.gz MNKMHVVMAZAFII-IVSAIRAKSA-N 2 1 264.457 3.547 20 0 CHADMP Cc1nccn1CC[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000270685811 1127061108 /nfs/dbraw/zinc/06/11/08/1127061108.db2.gz VZZWSMNKRNDZOF-LBPRGKRZSA-N 2 1 277.799 3.538 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000270685811 1127061113 /nfs/dbraw/zinc/06/11/13/1127061113.db2.gz VZZWSMNKRNDZOF-LBPRGKRZSA-N 2 1 277.799 3.538 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000270685811 1127061116 /nfs/dbraw/zinc/06/11/16/1127061116.db2.gz VZZWSMNKRNDZOF-LBPRGKRZSA-N 2 1 277.799 3.538 20 0 CHADMP c1cc2cccc(C[NH+]3CCC([NH+]4CCCCC4)CC3)c2[nH]1 ZINC000271024695 1127064479 /nfs/dbraw/zinc/06/44/79/1127064479.db2.gz CZJZEVSRWIIZMZ-UHFFFAOYSA-N 2 1 297.446 3.618 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC=CCC1 ZINC000271435478 1127080662 /nfs/dbraw/zinc/08/06/62/1127080662.db2.gz CNCRRIXRMCOWTA-QRQLOZEOSA-N 2 1 284.447 3.595 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC=CCC1 ZINC000271435478 1127080664 /nfs/dbraw/zinc/08/06/64/1127080664.db2.gz CNCRRIXRMCOWTA-QRQLOZEOSA-N 2 1 284.447 3.595 20 0 CHADMP Cc1ccncc1[C@H](C)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000271471100 1127084423 /nfs/dbraw/zinc/08/44/23/1127084423.db2.gz RBFVVWWNVRMHMP-INIZCTEOSA-N 2 1 289.467 3.695 20 0 CHADMP Cc1ccncc1[C@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000271471100 1127084427 /nfs/dbraw/zinc/08/44/27/1127084427.db2.gz RBFVVWWNVRMHMP-INIZCTEOSA-N 2 1 289.467 3.695 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(C)(C)C ZINC000165331830 1129215459 /nfs/dbraw/zinc/21/54/59/1129215459.db2.gz VAVFKYCRYUGFTR-FUHWJXTLSA-N 2 1 288.479 3.575 20 0 CHADMP c1csc([C@H]2CCC[N@@H+]2C2CC[NH+](CC3CC3)CC2)c1 ZINC001168379415 1127163008 /nfs/dbraw/zinc/16/30/08/1127163008.db2.gz JVCSAFLDPIDAQJ-MRXNPFEDSA-N 2 1 290.476 3.759 20 0 CHADMP Cc1ccc2ccnc(NC[C@H]3CC[N@H+](C(C)C)C3)c2c1 ZINC000571758904 1127165694 /nfs/dbraw/zinc/16/56/94/1127165694.db2.gz YOLLGESMIAREAX-OAHLLOKOSA-N 2 1 283.419 3.685 20 0 CHADMP Cc1ccc2cc[nH+]c(NC[C@H]3CC[N@@H+](C(C)C)C3)c2c1 ZINC000571758904 1127165698 /nfs/dbraw/zinc/16/56/98/1127165698.db2.gz YOLLGESMIAREAX-OAHLLOKOSA-N 2 1 283.419 3.685 20 0 CHADMP Cc1ccc2cc[nH+]c(NC[C@H]3CC[N@H+](C(C)C)C3)c2c1 ZINC000571758904 1127165701 /nfs/dbraw/zinc/16/57/01/1127165701.db2.gz YOLLGESMIAREAX-OAHLLOKOSA-N 2 1 283.419 3.685 20 0 CHADMP CC[C@H](C[NH2+]C/C(C)=C/c1ccccc1)[NH+]1CCCC1 ZINC000588177632 1127180011 /nfs/dbraw/zinc/18/00/11/1127180011.db2.gz MNNLZKQKMARURU-IYICPGQYSA-N 2 1 272.436 3.554 20 0 CHADMP CCC[C@@H]1CCCC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000351591358 1127196311 /nfs/dbraw/zinc/19/63/11/1127196311.db2.gz DIDWDSPOQSJLGH-QGZVFWFLSA-N 2 1 298.434 3.730 20 0 CHADMP CC[NH+](Cc1cncc(C[N@H+](CC)C(C)C)c1)C(C)C ZINC000572828857 1127227138 /nfs/dbraw/zinc/22/71/38/1127227138.db2.gz WXFQDCZYJGSPPO-UHFFFAOYSA-N 2 1 277.456 3.542 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cccc(C)c1C ZINC000165626473 1129217711 /nfs/dbraw/zinc/21/77/11/1129217711.db2.gz AIZPWAZHZWPSNF-HNNXBMFYSA-N 2 1 271.408 3.549 20 0 CHADMP CN(C)c1cc[nH+]cc1C[NH2+]Cc1csc2ccccc12 ZINC000352979585 1127256275 /nfs/dbraw/zinc/25/62/75/1127256275.db2.gz DUCCVZAUFGYOHE-UHFFFAOYSA-N 2 1 297.427 3.652 20 0 CHADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CC(c2ccccc2F)C1 ZINC000353971073 1127282267 /nfs/dbraw/zinc/28/22/67/1127282267.db2.gz IAOVWDPRPHAUCM-UYSNPLJNSA-N 2 1 290.426 3.536 20 0 CHADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]C1CC(c2ccccc2F)C1 ZINC000353971073 1127282269 /nfs/dbraw/zinc/28/22/69/1127282269.db2.gz IAOVWDPRPHAUCM-UYSNPLJNSA-N 2 1 290.426 3.536 20 0 CHADMP Cc1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(C)s1 ZINC000354097300 1127292234 /nfs/dbraw/zinc/29/22/34/1127292234.db2.gz OWFPZTUMPLXWPN-MRXNPFEDSA-N 2 1 292.492 3.529 20 0 CHADMP Cc1cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(C)s1 ZINC000354097300 1127292236 /nfs/dbraw/zinc/29/22/36/1127292236.db2.gz OWFPZTUMPLXWPN-MRXNPFEDSA-N 2 1 292.492 3.529 20 0 CHADMP Cc1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(C)s1 ZINC000354097300 1127292237 /nfs/dbraw/zinc/29/22/37/1127292237.db2.gz OWFPZTUMPLXWPN-MRXNPFEDSA-N 2 1 292.492 3.529 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCc2c(cccc2C(C)C)C1 ZINC000355376171 1127337325 /nfs/dbraw/zinc/33/73/25/1127337325.db2.gz NTJJEDAIBBEROA-UHFFFAOYSA-N 2 1 297.446 3.763 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCc2c(cccc2C(C)C)C1 ZINC000355376171 1127337328 /nfs/dbraw/zinc/33/73/28/1127337328.db2.gz NTJJEDAIBBEROA-UHFFFAOYSA-N 2 1 297.446 3.763 20 0 CHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(C)(C)C ZINC000480646776 1127376363 /nfs/dbraw/zinc/37/63/63/1127376363.db2.gz ZRMQAFKFSDNMFH-XHSDSOJGSA-N 2 1 268.489 3.769 20 0 CHADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccccc2SC)[C@H](C)C1 ZINC000358042797 1127398610 /nfs/dbraw/zinc/39/86/10/1127398610.db2.gz CTSYKNNNYCZHIM-GDBMZVCRSA-N 2 1 292.492 3.571 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2SC)[C@H](C)C1 ZINC000358042797 1127398613 /nfs/dbraw/zinc/39/86/13/1127398613.db2.gz CTSYKNNNYCZHIM-GDBMZVCRSA-N 2 1 292.492 3.571 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2SC)[C@H](C)C1 ZINC000358042797 1127398616 /nfs/dbraw/zinc/39/86/16/1127398616.db2.gz CTSYKNNNYCZHIM-GDBMZVCRSA-N 2 1 292.492 3.571 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC(F)(F)F)cc1 ZINC000358194182 1127407658 /nfs/dbraw/zinc/40/76/58/1127407658.db2.gz BJSIUACSLPFIJS-LLVKDONJSA-N 2 1 297.324 3.784 20 0 CHADMP Cc1ccc(C[N@H+](CCC2CC[NH2+]CC2)C(C)C)s1 ZINC000359213089 1127454372 /nfs/dbraw/zinc/45/43/72/1127454372.db2.gz HBNPOPSYOWQCGX-UHFFFAOYSA-N 2 1 280.481 3.657 20 0 CHADMP Cc1ccccc1[C@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000359215557 1127454461 /nfs/dbraw/zinc/45/44/61/1127454461.db2.gz KCKKLUYJUPCEBB-GOSISDBHSA-N 2 1 272.436 3.522 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000574981059 1127460397 /nfs/dbraw/zinc/46/03/97/1127460397.db2.gz UHEINDWMKHTJND-CMPLNLGQSA-N 2 1 272.795 3.503 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CCCC(F)(F)F ZINC000359629736 1127470990 /nfs/dbraw/zinc/47/09/90/1127470990.db2.gz GGPCNZJJAWROAV-RYUDHWBXSA-N 2 1 291.361 3.538 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC001308791463 1127478881 /nfs/dbraw/zinc/47/88/81/1127478881.db2.gz GEAMJJJSJUEBEO-XUWVNRHRSA-N 2 1 254.462 3.521 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC001308791463 1127478883 /nfs/dbraw/zinc/47/88/83/1127478883.db2.gz GEAMJJJSJUEBEO-XUWVNRHRSA-N 2 1 254.462 3.521 20 0 CHADMP C[C@@H](C[NH2+][C@@H]1CC(C)(C)Cc2occc21)C[NH+]1CCCC1 ZINC000360430887 1127498628 /nfs/dbraw/zinc/49/86/28/1127498628.db2.gz ZMVKJMXSRDTAKV-GOEBONIOSA-N 2 1 290.451 3.615 20 0 CHADMP c1cc(CCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cs1 ZINC000360975116 1127525174 /nfs/dbraw/zinc/52/51/74/1127525174.db2.gz NBYOSCACDIZLLC-KRWDZBQOSA-N 2 1 292.492 3.631 20 0 CHADMP Cc1nc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cs1 ZINC000361080214 1127536478 /nfs/dbraw/zinc/53/64/78/1127536478.db2.gz NDHOLQDOGRNYGC-UONOGXRCSA-N 2 1 295.496 3.614 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)CC[N@@H+]1C ZINC000294859508 1127604735 /nfs/dbraw/zinc/60/47/35/1127604735.db2.gz BWLPWQYEYQLUPC-APIJFGDWSA-N 2 1 292.854 3.658 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)CC[N@H+]1C ZINC000294859508 1127604737 /nfs/dbraw/zinc/60/47/37/1127604737.db2.gz BWLPWQYEYQLUPC-APIJFGDWSA-N 2 1 292.854 3.658 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC12CCCCC2 ZINC000362107249 1127612530 /nfs/dbraw/zinc/61/25/30/1127612530.db2.gz UNNKLPRTFJZNMR-UHFFFAOYSA-N 2 1 275.440 3.770 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC12CCCCC2 ZINC000362107249 1127612532 /nfs/dbraw/zinc/61/25/32/1127612532.db2.gz UNNKLPRTFJZNMR-UHFFFAOYSA-N 2 1 275.440 3.770 20 0 CHADMP CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(F)ccc1F ZINC000295996043 1127659441 /nfs/dbraw/zinc/65/94/41/1127659441.db2.gz PZPWIACOECJNEF-PLTIAYLTSA-N 2 1 294.389 3.631 20 0 CHADMP Cc1ccc(C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CC2)cc1 ZINC000296047083 1127660940 /nfs/dbraw/zinc/66/09/40/1127660940.db2.gz UWAFYGGFNCCFOH-NXEWRWPSSA-N 2 1 298.474 3.531 20 0 CHADMP CC[NH+](CC)C1CC[NH+](C[C@H](C)c2ccc(C)cc2)CC1 ZINC001118880335 1131240237 /nfs/dbraw/zinc/24/02/37/1131240237.db2.gz KDEFBESNWXPVOC-KRWDZBQOSA-N 2 1 288.479 3.905 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000298342024 1127720105 /nfs/dbraw/zinc/72/01/05/1127720105.db2.gz JJEXIWBMZHODSI-MNNVXMFVSA-N 2 1 297.446 3.538 20 0 CHADMP C[C@H](C[NH+]1CCC[C@@H](C)CC1)C[N@H+]1CCC[C@H](C)CC1 ZINC000605574389 1127742734 /nfs/dbraw/zinc/74/27/34/1127742734.db2.gz DTTKRUSIUMQJDI-BCDXTJNWSA-N 2 1 280.500 3.867 20 0 CHADMP C[C@@H](C[NH+]1CCC[C@H](C)CC1)C[N@@H+]1CCC[C@@H](C)CC1 ZINC000605574389 1127742737 /nfs/dbraw/zinc/74/27/37/1127742737.db2.gz DTTKRUSIUMQJDI-BCDXTJNWSA-N 2 1 280.500 3.867 20 0 CHADMP C[C@@H](C[NH+]1CCC[C@H](C)CC1)C[N@H+]1CCC[C@@H](C)CC1 ZINC000605574389 1127742741 /nfs/dbraw/zinc/74/27/41/1127742741.db2.gz DTTKRUSIUMQJDI-BCDXTJNWSA-N 2 1 280.500 3.867 20 0 CHADMP C[N@@H+](CC1CCCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000608510609 1127874814 /nfs/dbraw/zinc/87/48/14/1127874814.db2.gz IDZXGGIISGEFAT-LJQANCHMSA-N 2 1 286.463 3.631 20 0 CHADMP C[NH+](CC1CCCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000608510609 1127874817 /nfs/dbraw/zinc/87/48/17/1127874817.db2.gz IDZXGGIISGEFAT-LJQANCHMSA-N 2 1 286.463 3.631 20 0 CHADMP C[NH+](CC1CCCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000608510609 1127874820 /nfs/dbraw/zinc/87/48/20/1127874820.db2.gz IDZXGGIISGEFAT-LJQANCHMSA-N 2 1 286.463 3.631 20 0 CHADMP Cc1cccc([C@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)c1C ZINC000535471144 1127917102 /nfs/dbraw/zinc/91/71/02/1127917102.db2.gz XLIQGRFLKOBHJW-PKOBYXMFSA-N 2 1 286.463 3.925 20 0 CHADMP Cc1cccc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)c1C ZINC000535471144 1127917106 /nfs/dbraw/zinc/91/71/06/1127917106.db2.gz XLIQGRFLKOBHJW-PKOBYXMFSA-N 2 1 286.463 3.925 20 0 CHADMP Cc1cccc([C@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)c1C ZINC000535471144 1127917108 /nfs/dbraw/zinc/91/71/08/1127917108.db2.gz XLIQGRFLKOBHJW-PKOBYXMFSA-N 2 1 286.463 3.925 20 0 CHADMP CC(C)(C)[NH+]1CCC([NH2+]C2(c3ccccc3)CC2)CC1 ZINC000539624157 1127933551 /nfs/dbraw/zinc/93/35/51/1127933551.db2.gz GRYDVPGZISMDBC-UHFFFAOYSA-N 2 1 272.436 3.528 20 0 CHADMP CC[C@H](C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1)c1ccccc1 ZINC000539836830 1127946176 /nfs/dbraw/zinc/94/61/76/1127946176.db2.gz INUKJTZWUVMHEM-YQVWRLOYSA-N 2 1 288.479 3.985 20 0 CHADMP CC[C@H](C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1)c1ccccc1 ZINC000539836830 1127946177 /nfs/dbraw/zinc/94/61/77/1127946177.db2.gz INUKJTZWUVMHEM-YQVWRLOYSA-N 2 1 288.479 3.985 20 0 CHADMP CC[C@H](C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1)c1ccccc1 ZINC000539836830 1127946180 /nfs/dbraw/zinc/94/61/80/1127946180.db2.gz INUKJTZWUVMHEM-YQVWRLOYSA-N 2 1 288.479 3.985 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2CC)C1 ZINC000539857711 1127947887 /nfs/dbraw/zinc/94/78/87/1127947887.db2.gz BNBSQLUDRLYHKG-QBPKDAKJSA-N 2 1 266.473 3.523 20 0 CHADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c(C)cc(Cl)cc2C)C1 ZINC000539851247 1127948067 /nfs/dbraw/zinc/94/80/67/1127948067.db2.gz WLTIXAORKGAIDB-OAHLLOKOSA-N 2 1 294.870 3.730 20 0 CHADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)cc(Cl)cc2C)C1 ZINC000539851247 1127948069 /nfs/dbraw/zinc/94/80/69/1127948069.db2.gz WLTIXAORKGAIDB-OAHLLOKOSA-N 2 1 294.870 3.730 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)cc(Cl)cc2C)C1 ZINC000539851247 1127948071 /nfs/dbraw/zinc/94/80/71/1127948071.db2.gz WLTIXAORKGAIDB-OAHLLOKOSA-N 2 1 294.870 3.730 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)cc(Cl)cc2C)C1 ZINC000539851247 1127948073 /nfs/dbraw/zinc/94/80/73/1127948073.db2.gz WLTIXAORKGAIDB-OAHLLOKOSA-N 2 1 294.870 3.730 20 0 CHADMP CCC(CC)(CC)C[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000544020466 1127955298 /nfs/dbraw/zinc/95/52/98/1127955298.db2.gz JTXVIUJULDVFLK-LSDHHAIUSA-N 2 1 254.462 3.617 20 0 CHADMP CCC(CC)(CC)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000544020466 1127955301 /nfs/dbraw/zinc/95/53/01/1127955301.db2.gz JTXVIUJULDVFLK-LSDHHAIUSA-N 2 1 254.462 3.617 20 0 CHADMP CCC(CC)(CC)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000544020466 1127955303 /nfs/dbraw/zinc/95/53/03/1127955303.db2.gz JTXVIUJULDVFLK-LSDHHAIUSA-N 2 1 254.462 3.617 20 0 CHADMP CCC(CC)(CC)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000544020466 1127955306 /nfs/dbraw/zinc/95/53/06/1127955306.db2.gz JTXVIUJULDVFLK-LSDHHAIUSA-N 2 1 254.462 3.617 20 0 CHADMP CCC(CC)(CC)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000544020466 1127955308 /nfs/dbraw/zinc/95/53/08/1127955308.db2.gz JTXVIUJULDVFLK-LSDHHAIUSA-N 2 1 254.462 3.617 20 0 CHADMP CCC(C)(C)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000540153087 1127964964 /nfs/dbraw/zinc/96/49/64/1127964964.db2.gz DTVBQEIJHIQFOQ-QAPCUYQASA-N 2 1 288.479 3.804 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CC1(C)C ZINC000540176280 1127965702 /nfs/dbraw/zinc/96/57/02/1127965702.db2.gz QOVBZVVDOSNHME-NJAFHUGGSA-N 2 1 286.463 3.533 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2CCCC[C@@H]2C)CC1 ZINC000544347146 1127969064 /nfs/dbraw/zinc/96/90/64/1127969064.db2.gz IITRQVTYMWUBRI-JKSUJKDBSA-N 2 1 266.473 3.617 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1F ZINC000623560045 1127970672 /nfs/dbraw/zinc/97/06/72/1127970672.db2.gz UERUVPRVHUCRAH-BBRMVZONSA-N 2 1 278.415 3.739 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1F ZINC000623560045 1127970676 /nfs/dbraw/zinc/97/06/76/1127970676.db2.gz UERUVPRVHUCRAH-BBRMVZONSA-N 2 1 278.415 3.739 20 0 CHADMP Cc1cc([C@@H]([NH2+]CC[C@@H]2CCC[N@@H+]2C)C2CC2)ccc1F ZINC000540519086 1127983606 /nfs/dbraw/zinc/98/36/06/1127983606.db2.gz DCTNEWZUTSTFEG-WMZOPIPTSA-N 2 1 290.426 3.659 20 0 CHADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000300414525 1128001160 /nfs/dbraw/zinc/00/11/60/1128001160.db2.gz LRXHZLUPVROPOL-ZIAGYGMSSA-N 2 1 282.859 3.591 20 0 CHADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000300414525 1128001164 /nfs/dbraw/zinc/00/11/64/1128001164.db2.gz LRXHZLUPVROPOL-ZIAGYGMSSA-N 2 1 282.859 3.591 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cc2C)C[C@H]1C ZINC000468390871 1128005151 /nfs/dbraw/zinc/00/51/51/1128005151.db2.gz BUIQXNYWWONKFX-RHSMWYFYSA-N 2 1 294.870 3.953 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2C)C[C@H]1C ZINC000468390871 1128005156 /nfs/dbraw/zinc/00/51/56/1128005156.db2.gz BUIQXNYWWONKFX-RHSMWYFYSA-N 2 1 294.870 3.953 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2C)C[C@H]1C ZINC000468390871 1128005161 /nfs/dbraw/zinc/00/51/61/1128005161.db2.gz BUIQXNYWWONKFX-RHSMWYFYSA-N 2 1 294.870 3.953 20 0 CHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCCCC[NH+]1[C@@H](C)CC[C@@H]1C ZINC000466653657 1128011313 /nfs/dbraw/zinc/01/13/13/1128011313.db2.gz CPUOZCBUPPOTAB-LUKYLMHMSA-N 2 1 266.473 3.902 20 0 CHADMP Cc1cc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)sc1C ZINC001233686472 1128018885 /nfs/dbraw/zinc/01/88/85/1128018885.db2.gz XJPKXJNINYXAJF-UHFFFAOYSA-N 2 1 294.508 3.917 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+]CCc2ccc(C(C)C)cc2)C1 ZINC000468898511 1128026947 /nfs/dbraw/zinc/02/69/47/1128026947.db2.gz HIRJQBPJAYALQA-SFHVURJKSA-N 2 1 288.479 3.674 20 0 CHADMP CCC1CCC(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000468962214 1128029803 /nfs/dbraw/zinc/02/98/03/1128029803.db2.gz MCJQTXZZSIQFAD-ZGRYLRDCSA-N 2 1 266.473 3.523 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCCc2ccccc2)[C@@H](C)C1 ZINC000469143168 1128036814 /nfs/dbraw/zinc/03/68/14/1128036814.db2.gz ZBYYACNPHGHUOC-PKOBYXMFSA-N 2 1 288.479 3.719 20 0 CHADMP CCN1CCC([N@@H+](C)CCc2ccc(C(C)C)cc2)CC1 ZINC000469246178 1128038949 /nfs/dbraw/zinc/03/89/49/1128038949.db2.gz HUIMPTLYDKTBMB-UHFFFAOYSA-N 2 1 288.479 3.769 20 0 CHADMP CC[NH+]1CCC([N@H+](C)CCc2ccc(C(C)C)cc2)CC1 ZINC000469246178 1128038951 /nfs/dbraw/zinc/03/89/51/1128038951.db2.gz HUIMPTLYDKTBMB-UHFFFAOYSA-N 2 1 288.479 3.769 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)CCc2ccc(C(C)C)cc2)CC1 ZINC000469246178 1128038955 /nfs/dbraw/zinc/03/89/55/1128038955.db2.gz HUIMPTLYDKTBMB-UHFFFAOYSA-N 2 1 288.479 3.769 20 0 CHADMP CC(C)CC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000303189450 1128058098 /nfs/dbraw/zinc/05/80/98/1128058098.db2.gz LVOBLZDYJHHETK-UHFFFAOYSA-N 2 1 288.479 3.877 20 0 CHADMP Cc1ccccc1[C@@H](C(C)C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000469971094 1128060255 /nfs/dbraw/zinc/06/02/55/1128060255.db2.gz FDLBOSAXBUCGKW-GOSISDBHSA-N 2 1 274.452 3.624 20 0 CHADMP CC(C)CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000303511183 1128070546 /nfs/dbraw/zinc/07/05/46/1128070546.db2.gz BLMMMZXKTCHWJA-IAGOWNOFSA-N 2 1 266.473 3.619 20 0 CHADMP CC(C)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000303511183 1128070551 /nfs/dbraw/zinc/07/05/51/1128070551.db2.gz BLMMMZXKTCHWJA-IAGOWNOFSA-N 2 1 266.473 3.619 20 0 CHADMP CC(C)CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000303511183 1128070556 /nfs/dbraw/zinc/07/05/56/1128070556.db2.gz BLMMMZXKTCHWJA-IAGOWNOFSA-N 2 1 266.473 3.619 20 0 CHADMP CCC[C@H](CC)[N@H+](Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001257250891 1128091842 /nfs/dbraw/zinc/09/18/42/1128091842.db2.gz WTROBMQECBJQHJ-RDJZCZTQSA-N 2 1 262.441 3.662 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2coc3ccccc23)CC1 ZINC000924577222 1128105307 /nfs/dbraw/zinc/10/53/07/1128105307.db2.gz IBGVOSCSCKGMKX-AWEZNQCLSA-N 2 1 286.419 3.958 20 0 CHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C(F)F)cc2)[C@H]1CC[NH3+] ZINC000404427243 1128107654 /nfs/dbraw/zinc/10/76/54/1128107654.db2.gz MHCASCPKTIOYDF-DOMZBBRYSA-N 2 1 282.378 3.574 20 0 CHADMP CSCCCCCC[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925637209 1128134784 /nfs/dbraw/zinc/13/47/84/1128134784.db2.gz ISPRBDRDAGTMJK-HOCLYGCPSA-N 2 1 280.481 3.588 20 0 CHADMP CCC1([NH3+])CC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000925757940 1128140879 /nfs/dbraw/zinc/14/08/79/1128140879.db2.gz XEYCFFLEIPSWST-HNNXBMFYSA-N 2 1 278.827 3.531 20 0 CHADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@]34C[C@@H]3CCCC4)CC[NH2+]2)cc1 ZINC000925800931 1128142689 /nfs/dbraw/zinc/14/26/89/1128142689.db2.gz GWCAMGRYKQLJNT-ZSYWTGECSA-N 2 1 284.447 3.650 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)C1CCCCCC1 ZINC000542474586 1128159623 /nfs/dbraw/zinc/15/96/23/1128159623.db2.gz JUZMXWJCJXQPTO-OAHLLOKOSA-N 2 1 277.456 3.920 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)C1CCCCCC1 ZINC000542474585 1128159856 /nfs/dbraw/zinc/15/98/56/1128159856.db2.gz JUZMXWJCJXQPTO-HNNXBMFYSA-N 2 1 277.456 3.920 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C2CCCCCC2)C1 ZINC000542476777 1128162513 /nfs/dbraw/zinc/16/25/13/1128162513.db2.gz CCKWKVMHEGCAJF-JKSUJKDBSA-N 2 1 266.473 3.667 20 0 CHADMP CCc1cccnc1[C@H](C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000542488690 1128181179 /nfs/dbraw/zinc/18/11/79/1128181179.db2.gz URICHVMYHZZLSU-CVEARBPZSA-N 2 1 289.467 3.559 20 0 CHADMP CCc1cccnc1[C@@H](C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000542488692 1128181616 /nfs/dbraw/zinc/18/16/16/1128181616.db2.gz URICHVMYHZZLSU-HZPDHXFCSA-N 2 1 289.467 3.559 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CC2CCC(C)CC2)C[C@@H]1C ZINC000542507367 1128198699 /nfs/dbraw/zinc/19/86/99/1128198699.db2.gz VTJSOCSLBOWROM-XGHPGWEVSA-N 2 1 266.473 3.617 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CC2CCC(C)CC2)C[C@@H]1C ZINC000542507367 1128198701 /nfs/dbraw/zinc/19/87/01/1128198701.db2.gz VTJSOCSLBOWROM-XGHPGWEVSA-N 2 1 266.473 3.617 20 0 CHADMP CCC[C@@H](C)[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257312866 1128230586 /nfs/dbraw/zinc/23/05/86/1128230586.db2.gz HIXYXCXNWHYZDC-IIAWOOMASA-N 2 1 252.446 3.690 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CCCCCC2)C1 ZINC000559870898 1128238830 /nfs/dbraw/zinc/23/88/30/1128238830.db2.gz PBUDEJHUWUSNGQ-IYBDPMFKSA-N 2 1 266.473 3.667 20 0 CHADMP CCCCCC[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001257363484 1128275372 /nfs/dbraw/zinc/27/53/72/1128275372.db2.gz TYVLTJPSCJXCJY-PMPSAXMXSA-N 2 1 254.462 3.808 20 0 CHADMP CC[NH+](CC)[C@H](C[NH2+]CCc1ccccc1)CC(C)C ZINC000915228077 1128293782 /nfs/dbraw/zinc/29/37/82/1128293782.db2.gz DUDMCEYLICQDNH-SFHVURJKSA-N 2 1 276.468 3.575 20 0 CHADMP C[N@@H+](CCC[NH3+])Cc1ccc(-c2ccccc2Cl)cc1 ZINC001235435602 1128331093 /nfs/dbraw/zinc/33/10/93/1128331093.db2.gz SBYRGJYXGPMNBM-UHFFFAOYSA-N 2 1 288.822 3.788 20 0 CHADMP CCC[C@H](C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000561612782 1128341226 /nfs/dbraw/zinc/34/12/26/1128341226.db2.gz QNCPCJPSLXSWOE-PKOBYXMFSA-N 2 1 288.479 3.890 20 0 CHADMP CCCCCCc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)s1 ZINC001205156243 1128341805 /nfs/dbraw/zinc/34/18/05/1128341805.db2.gz VECXVSPHEVJAGV-LSDHHAIUSA-N 2 1 294.508 3.898 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](c1ccccc1)C(C)C ZINC000561979880 1128366902 /nfs/dbraw/zinc/36/69/02/1128366902.db2.gz IJFRIGPXYPPSHY-LJQANCHMSA-N 2 1 299.462 3.953 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](c1ccccc1)C(C)C ZINC000561979880 1128366905 /nfs/dbraw/zinc/36/69/05/1128366905.db2.gz IJFRIGPXYPPSHY-LJQANCHMSA-N 2 1 299.462 3.953 20 0 CHADMP CC1(C)CC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000562058762 1128374746 /nfs/dbraw/zinc/37/47/46/1128374746.db2.gz RQMIWHUHJCIHMG-OKYOBFRVSA-N 2 1 298.474 3.960 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000562417900 1128401435 /nfs/dbraw/zinc/40/14/35/1128401435.db2.gz SXALCOLOPQEAPK-CVEARBPZSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc3ccccc3c2)CCN1C ZINC000123342881 1128410880 /nfs/dbraw/zinc/41/08/80/1128410880.db2.gz VDUVNDUAWYGGFI-HNAYVOBHSA-N 2 1 282.431 3.754 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc3ccccc3c2)CC[N@@H+]1C ZINC000123342881 1128410883 /nfs/dbraw/zinc/41/08/83/1128410883.db2.gz VDUVNDUAWYGGFI-HNAYVOBHSA-N 2 1 282.431 3.754 20 0 CHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc3ccccc3c2)CC[NH+]1C ZINC000123342881 1128410890 /nfs/dbraw/zinc/41/08/90/1128410890.db2.gz VDUVNDUAWYGGFI-HNAYVOBHSA-N 2 1 282.431 3.754 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCc2ccc(Cl)cc2)CCN1C ZINC000123362652 1128412490 /nfs/dbraw/zinc/41/24/90/1128412490.db2.gz RQMJKECSLLZTCP-PBHICJAKSA-N 2 1 294.870 3.687 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)CCCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000123362652 1128412492 /nfs/dbraw/zinc/41/24/92/1128412492.db2.gz RQMJKECSLLZTCP-PBHICJAKSA-N 2 1 294.870 3.687 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)CCCc2ccc(Cl)cc2)CC[N@H+]1C ZINC000123362652 1128412493 /nfs/dbraw/zinc/41/24/93/1128412493.db2.gz RQMJKECSLLZTCP-PBHICJAKSA-N 2 1 294.870 3.687 20 0 CHADMP C[C@@H]1C[C@@H]([N@H+](C)CCCc2ccc(Cl)cc2)CC[NH+]1C ZINC000123362652 1128412495 /nfs/dbraw/zinc/41/24/95/1128412495.db2.gz RQMJKECSLLZTCP-PBHICJAKSA-N 2 1 294.870 3.687 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCc2ccc(Cl)cc2)CC[NH+]1C ZINC000123362652 1128412496 /nfs/dbraw/zinc/41/24/96/1128412496.db2.gz RQMJKECSLLZTCP-PBHICJAKSA-N 2 1 294.870 3.687 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC001257463196 1128443384 /nfs/dbraw/zinc/44/33/84/1128443384.db2.gz KEHBTCGIFBULAQ-GJZGRUSLSA-N 2 1 254.462 3.665 20 0 CHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000037197127 1128421427 /nfs/dbraw/zinc/42/14/27/1128421427.db2.gz NLFIGPUQQGATNO-AWEZNQCLSA-N 2 1 288.435 3.980 20 0 CHADMP CC(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649523 1128434671 /nfs/dbraw/zinc/43/46/71/1128434671.db2.gz PSYXUHPSSFFXPK-HOTGVXAUSA-N 2 1 286.463 3.945 20 0 CHADMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000037649055 1128434827 /nfs/dbraw/zinc/43/48/27/1128434827.db2.gz SBVZTQXZTQWONN-IAGOWNOFSA-N 2 1 286.463 3.747 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](C)c2cc(C)c(C)cc2C)CC1 ZINC000038098002 1128437716 /nfs/dbraw/zinc/43/77/16/1128437716.db2.gz LYUBLIWRHOGNOP-MRXNPFEDSA-N 2 1 274.452 3.747 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](C)CC(C)(C)c2ccccc2)CC1 ZINC000038098142 1128438087 /nfs/dbraw/zinc/43/80/87/1128438087.db2.gz UTCPOCGOTKJMOJ-MRXNPFEDSA-N 2 1 288.479 3.817 20 0 CHADMP C[C@@H](CC[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000562943500 1128441756 /nfs/dbraw/zinc/44/17/56/1128441756.db2.gz ZKEALHAACDBORO-WMZOPIPTSA-N 2 1 286.463 3.787 20 0 CHADMP C[C@@H](CC[NH2+][C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000562943500 1128441757 /nfs/dbraw/zinc/44/17/57/1128441757.db2.gz ZKEALHAACDBORO-WMZOPIPTSA-N 2 1 286.463 3.787 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001257463612 1128444719 /nfs/dbraw/zinc/44/47/19/1128444719.db2.gz OHJNIUBJPIGJQV-HRCADAONSA-N 2 1 254.462 3.665 20 0 CHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)C2(C)CC2)CC1 ZINC000125167122 1128448466 /nfs/dbraw/zinc/44/84/66/1128448466.db2.gz QRZQRSPXLKXPHY-CVEARBPZSA-N 2 1 286.463 3.990 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000126892365 1128469968 /nfs/dbraw/zinc/46/99/68/1128469968.db2.gz YNMZANVAXHNLEL-PBHICJAKSA-N 2 1 292.492 3.738 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000126892365 1128469970 /nfs/dbraw/zinc/46/99/70/1128469970.db2.gz YNMZANVAXHNLEL-PBHICJAKSA-N 2 1 292.492 3.738 20 0 CHADMP C[C@H](F)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000564230312 1128499404 /nfs/dbraw/zinc/49/94/04/1128499404.db2.gz FPCILAVFDJCDQC-OWLYRPNTSA-N 2 1 290.426 3.520 20 0 CHADMP CCC[NH+]1CCC([NH2+]C2(c3ccc(Cl)cc3)CC2)CC1 ZINC000564553452 1128512142 /nfs/dbraw/zinc/51/21/42/1128512142.db2.gz YOHPPTDAHHBZLZ-UHFFFAOYSA-N 2 1 292.854 3.793 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000564689917 1128514194 /nfs/dbraw/zinc/51/41/94/1128514194.db2.gz MXUKBTMIPWPJCA-CGTJXYLNSA-N 2 1 274.452 3.500 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000564689917 1128514197 /nfs/dbraw/zinc/51/41/97/1128514197.db2.gz MXUKBTMIPWPJCA-CGTJXYLNSA-N 2 1 274.452 3.500 20 0 CHADMP [NH3+]C[C@@H]1CCC[N@@H+](CC2CCC(c3ccccc3)CC2)C1 ZINC000564968973 1128517674 /nfs/dbraw/zinc/51/76/74/1128517674.db2.gz NNYWDLFYMPTURL-HFCFLWKCSA-N 2 1 286.463 3.631 20 0 CHADMP CC1(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000564959565 1128517764 /nfs/dbraw/zinc/51/77/64/1128517764.db2.gz CKUSKNVJFYAIIQ-GOSISDBHSA-N 2 1 298.474 3.963 20 0 CHADMP CC1(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000564959565 1128517769 /nfs/dbraw/zinc/51/77/69/1128517769.db2.gz CKUSKNVJFYAIIQ-GOSISDBHSA-N 2 1 298.474 3.963 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000565161717 1128520711 /nfs/dbraw/zinc/52/07/11/1128520711.db2.gz HRYMWUAUMUSQSJ-SFHVURJKSA-N 2 1 297.446 3.622 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000565161717 1128520715 /nfs/dbraw/zinc/52/07/15/1128520715.db2.gz HRYMWUAUMUSQSJ-SFHVURJKSA-N 2 1 297.446 3.622 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000229620691 1128546277 /nfs/dbraw/zinc/54/62/77/1128546277.db2.gz OTFZZIJDNNQMLC-HNNXBMFYSA-N 2 1 285.435 3.522 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2)C2CC2)[C@@H]2CCC[C@H]21 ZINC000556208098 1128562686 /nfs/dbraw/zinc/56/26/86/1128562686.db2.gz DFBADMHMMSWZHM-ZGXWSNOMSA-N 2 1 298.474 3.643 20 0 CHADMP [NH3+]C[C@H]([NH2+][C@H]1CCCc2c3ccccc3[nH]c21)C1CCCC1 ZINC000567724432 1128570089 /nfs/dbraw/zinc/57/00/89/1128570089.db2.gz PMUZOHNEDLGBTK-ROUUACIJSA-N 2 1 297.446 3.652 20 0 CHADMP CCCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000130176769 1128570283 /nfs/dbraw/zinc/57/02/83/1128570283.db2.gz ZMQJQUDRPXGRNY-KFKAGJAMSA-N 2 1 286.463 3.917 20 0 CHADMP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130197971 1128571560 /nfs/dbraw/zinc/57/15/60/1128571560.db2.gz INPYPYTZPSAZOS-VQHPVUNQSA-N 2 1 278.484 3.808 20 0 CHADMP CCCCCCOc1ccc(C[N@@H+](C)CCCC[NH3+])cc1 ZINC001236139991 1128577318 /nfs/dbraw/zinc/57/73/18/1128577318.db2.gz BUOLCWZNHQJUJT-UHFFFAOYSA-N 2 1 292.467 3.816 20 0 CHADMP C[N@@H+](CCCC[NH3+])Cc1ccc(C2CCCCC2)cc1 ZINC001236140886 1128578398 /nfs/dbraw/zinc/57/83/98/1128578398.db2.gz ABPMUTYEBVVHCQ-UHFFFAOYSA-N 2 1 274.452 3.905 20 0 CHADMP C[C@H]([NH2+][C@H]1CCC(C)(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000568137407 1128578451 /nfs/dbraw/zinc/57/84/51/1128578451.db2.gz AXTWFTLUTGVJQA-JYJNAYRXSA-N 2 1 278.484 3.808 20 0 CHADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(CC(F)(F)F)CC1 ZINC000556505828 1128597127 /nfs/dbraw/zinc/59/71/27/1128597127.db2.gz PEWUARJNSXUFSR-CQSZACIVSA-N 2 1 292.389 3.525 20 0 CHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(CC(F)(F)F)CC1 ZINC000556505828 1128597129 /nfs/dbraw/zinc/59/71/29/1128597129.db2.gz PEWUARJNSXUFSR-CQSZACIVSA-N 2 1 292.389 3.525 20 0 CHADMP CC[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000570072248 1128615523 /nfs/dbraw/zinc/61/55/23/1128615523.db2.gz UZZOVYRZVXPEJY-YJBOKZPZSA-N 2 1 274.452 3.805 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1csc2ccccc12 ZINC000569276256 1128602672 /nfs/dbraw/zinc/60/26/72/1128602672.db2.gz NWHCEOYJOFVRPC-CZUORRHYSA-N 2 1 288.460 3.673 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1csc2ccccc12 ZINC000569276256 1128602676 /nfs/dbraw/zinc/60/26/76/1128602676.db2.gz NWHCEOYJOFVRPC-CZUORRHYSA-N 2 1 288.460 3.673 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1csc2ccccc12 ZINC000569276256 1128602678 /nfs/dbraw/zinc/60/26/78/1128602678.db2.gz NWHCEOYJOFVRPC-CZUORRHYSA-N 2 1 288.460 3.673 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1csc2ccccc12 ZINC000569276256 1128602680 /nfs/dbraw/zinc/60/26/80/1128602680.db2.gz NWHCEOYJOFVRPC-CZUORRHYSA-N 2 1 288.460 3.673 20 0 CHADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC1CCC(c2ccccc2)CC1 ZINC000569706873 1128607799 /nfs/dbraw/zinc/60/77/99/1128607799.db2.gz UPIRSMBHBUIMQS-NHFHULPWSA-N 2 1 286.463 3.772 20 0 CHADMP Cn1c[nH+]cc1CCC[NH2+]C1(c2ccccc2)CCCCC1 ZINC000569822703 1128609907 /nfs/dbraw/zinc/60/99/07/1128609907.db2.gz RDOXXKLGIKVBGK-UHFFFAOYSA-N 2 1 297.446 3.802 20 0 CHADMP CC(C)c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000570320066 1128621537 /nfs/dbraw/zinc/62/15/37/1128621537.db2.gz YCUDVRHGEFXMQP-MOPGFXCFSA-N 2 1 286.463 3.726 20 0 CHADMP C([C@H]1CCC[N@H+](C2CCCC2)C1)[NH+]1CCCCCC1 ZINC000131478534 1128622790 /nfs/dbraw/zinc/62/27/90/1128622790.db2.gz NKLRLNRTVBHAGL-MRXNPFEDSA-N 2 1 264.457 3.517 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC1CCCCCC1 ZINC000570552086 1128625778 /nfs/dbraw/zinc/62/57/78/1128625778.db2.gz YRDOYLYYQNAOFB-UHFFFAOYSA-N 2 1 277.456 3.874 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC1CCCCCC1 ZINC000570552086 1128625779 /nfs/dbraw/zinc/62/57/79/1128625779.db2.gz YRDOYLYYQNAOFB-UHFFFAOYSA-N 2 1 277.456 3.874 20 0 CHADMP CC(C)[C@H]1CC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000556859678 1128631047 /nfs/dbraw/zinc/63/10/47/1128631047.db2.gz WLKLJRXUWIFISN-BRWVUGGUSA-N 2 1 266.473 3.523 20 0 CHADMP CCc1cccc2c(C[N@H+](C)C3CCN(CC)CC3)c[nH]c21 ZINC001138361248 1128632021 /nfs/dbraw/zinc/63/20/21/1128632021.db2.gz JYGOVMHYIODCRX-UHFFFAOYSA-N 2 1 299.462 3.646 20 0 CHADMP CCc1cccc2c(C[N@H+](C)C3CC[NH+](CC)CC3)c[nH]c21 ZINC001138361248 1128632025 /nfs/dbraw/zinc/63/20/25/1128632025.db2.gz JYGOVMHYIODCRX-UHFFFAOYSA-N 2 1 299.462 3.646 20 0 CHADMP C[C@@H](C[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000571928245 1128640851 /nfs/dbraw/zinc/64/08/51/1128640851.db2.gz BSGJJFXHQDYOHO-INIZCTEOSA-N 2 1 294.442 3.568 20 0 CHADMP Cc1sccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000575023366 1128665531 /nfs/dbraw/zinc/66/55/31/1128665531.db2.gz BVJSHIQJYKYGBW-UHFFFAOYSA-N 2 1 292.492 3.943 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001258054631 1128710609 /nfs/dbraw/zinc/71/06/09/1128710609.db2.gz FQFKUFLRQZYADK-GJZGRUSLSA-N 2 1 266.473 3.664 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H](C)CC2CCCCC2)C1 ZINC000578401318 1128716825 /nfs/dbraw/zinc/71/68/25/1128716825.db2.gz GHWWMBRYIOEQRG-FUHWJXTLSA-N 2 1 280.500 3.913 20 0 CHADMP CSc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)s1 ZINC000578404160 1128717266 /nfs/dbraw/zinc/71/72/66/1128717266.db2.gz ITYNQRUQVOCOQT-CYBMUJFWSA-N 2 1 298.521 3.680 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000578650186 1128724953 /nfs/dbraw/zinc/72/49/53/1128724953.db2.gz GSZOFDCRRDRDQM-SJORKVTESA-N 2 1 278.484 3.811 20 0 CHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H](CC2CC2)c2ccccc2)C1 ZINC000578858249 1128730943 /nfs/dbraw/zinc/73/09/43/1128730943.db2.gz OJBJXESTPAFUOI-HKUYNNGSSA-N 2 1 286.463 3.849 20 0 CHADMP C[NH+]1CCC([NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000035047333 1117764680 /nfs/dbraw/zinc/76/46/80/1117764680.db2.gz FLYNNRZRCJSARG-CQSZACIVSA-N 2 1 296.867 3.561 20 0 CHADMP CCCC[N@@H+](Cc1ccccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC000647884139 1117781173 /nfs/dbraw/zinc/78/11/73/1117781173.db2.gz QZDQJUGEERKDHM-CQSZACIVSA-N 2 1 280.843 3.552 20 0 CHADMP CCCC[N@H+](Cc1ccccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC000647884139 1117781176 /nfs/dbraw/zinc/78/11/76/1117781176.db2.gz QZDQJUGEERKDHM-CQSZACIVSA-N 2 1 280.843 3.552 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](C)C(C)(C)c1ccccc1 ZINC000671246036 1117784290 /nfs/dbraw/zinc/78/42/90/1117784290.db2.gz NGUFZRWOWQWHGV-UHFFFAOYSA-N 2 1 262.441 3.585 20 0 CHADMP CC(C)C[C@@H](C)C[C@@H](C)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001258072983 1128735668 /nfs/dbraw/zinc/73/56/68/1128735668.db2.gz ADXPHAZQCFOUQR-HUUCEWRRSA-N 2 1 277.456 3.983 20 0 CHADMP CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623336026 1117832890 /nfs/dbraw/zinc/83/28/90/1117832890.db2.gz RFNOMEBLETUVOT-LSDHHAIUSA-N 2 1 254.462 3.664 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)c1cc2ccccc2o1 ZINC000623341080 1117835498 /nfs/dbraw/zinc/83/54/98/1117835498.db2.gz MQIYWNYALMZQND-DZGCQCFKSA-N 2 1 286.419 3.956 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1cc2ccccc2o1 ZINC000623341080 1117835502 /nfs/dbraw/zinc/83/55/02/1117835502.db2.gz MQIYWNYALMZQND-DZGCQCFKSA-N 2 1 286.419 3.956 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cc2ccccc2o1 ZINC000623341080 1117835505 /nfs/dbraw/zinc/83/55/05/1117835505.db2.gz MQIYWNYALMZQND-DZGCQCFKSA-N 2 1 286.419 3.956 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)c1cc2ccccc2o1 ZINC000623341082 1117836046 /nfs/dbraw/zinc/83/60/46/1117836046.db2.gz MQIYWNYALMZQND-UKRRQHHQSA-N 2 1 286.419 3.956 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1cc2ccccc2o1 ZINC000623341082 1117836053 /nfs/dbraw/zinc/83/60/53/1117836053.db2.gz MQIYWNYALMZQND-UKRRQHHQSA-N 2 1 286.419 3.956 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cc2ccccc2o1 ZINC000623341082 1117836058 /nfs/dbraw/zinc/83/60/58/1117836058.db2.gz MQIYWNYALMZQND-UKRRQHHQSA-N 2 1 286.419 3.956 20 0 CHADMP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623342883 1117836258 /nfs/dbraw/zinc/83/62/58/1117836258.db2.gz SVQBOXXCGKOXOV-CABCVRRESA-N 2 1 290.451 3.527 20 0 CHADMP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623342883 1117836264 /nfs/dbraw/zinc/83/62/64/1117836264.db2.gz SVQBOXXCGKOXOV-CABCVRRESA-N 2 1 290.451 3.527 20 0 CHADMP CCOc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623344982 1117837252 /nfs/dbraw/zinc/83/72/52/1117837252.db2.gz LQCMUMNWHWWSAV-ZBFHGGJFSA-N 2 1 290.451 3.609 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(OC)cc1 ZINC000623339768 1117838925 /nfs/dbraw/zinc/83/89/25/1117838925.db2.gz JNDPLNFGKHLEAB-NVXWUHKLSA-N 2 1 290.451 3.609 20 0 CHADMP C[C@@H](CCC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623424691 1117854402 /nfs/dbraw/zinc/85/44/02/1117854402.db2.gz ALUNJWSFDZHBJF-UONOGXRCSA-N 2 1 254.462 3.664 20 0 CHADMP CCCC[C@H](CCC)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623440087 1117856991 /nfs/dbraw/zinc/85/69/91/1117856991.db2.gz IJLJWPRGZZFMKG-GJZGRUSLSA-N 2 1 254.462 3.808 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)CC1(C)C ZINC000623511349 1117863865 /nfs/dbraw/zinc/86/38/65/1117863865.db2.gz LPPNAIAGNXBPQB-RDJZCZTQSA-N 2 1 290.426 3.666 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)CC1(C)C ZINC000623512862 1117864808 /nfs/dbraw/zinc/86/48/08/1117864808.db2.gz XMLHFSPKBXEZBK-RBSFLKMASA-N 2 1 290.426 3.534 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1C[C@H]1C ZINC000398170818 1117869122 /nfs/dbraw/zinc/86/91/22/1117869122.db2.gz UQFSIZFYQZZUJF-RTYCURFASA-N 2 1 286.463 3.531 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1C[C@H]1C ZINC000398170818 1117869128 /nfs/dbraw/zinc/86/91/28/1117869128.db2.gz UQFSIZFYQZZUJF-RTYCURFASA-N 2 1 286.463 3.531 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)CCc2cccc(F)c2)CC1 ZINC001208202470 1117869307 /nfs/dbraw/zinc/86/93/07/1117869307.db2.gz MNJVZAZBYBNQIC-UHFFFAOYSA-N 2 1 292.442 3.565 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CCC(F)(F)CC1 ZINC000623561210 1117872200 /nfs/dbraw/zinc/87/22/00/1117872200.db2.gz FLWGORZRVBREHC-TZMCWYRMSA-N 2 1 288.426 3.663 20 0 CHADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1F ZINC000623564792 1117873222 /nfs/dbraw/zinc/87/32/22/1117873222.db2.gz QYURXFRVQLTRQC-YOEHRIQHSA-N 2 1 292.442 3.985 20 0 CHADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1F ZINC000623564792 1117873228 /nfs/dbraw/zinc/87/32/28/1117873228.db2.gz QYURXFRVQLTRQC-YOEHRIQHSA-N 2 1 292.442 3.985 20 0 CHADMP C[C@@H](CCc1ccccc1)C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657463 1117883689 /nfs/dbraw/zinc/88/36/89/1117883689.db2.gz RFWLRXFRSMGWEM-HKUYNNGSSA-N 2 1 288.479 3.577 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000178541821 1117892756 /nfs/dbraw/zinc/89/27/56/1117892756.db2.gz CRCGNBSPKVNYJY-HNNXBMFYSA-N 2 1 286.419 3.597 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000178541821 1117892760 /nfs/dbraw/zinc/89/27/60/1117892760.db2.gz CRCGNBSPKVNYJY-HNNXBMFYSA-N 2 1 286.419 3.597 20 0 CHADMP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC000097603052 1117904514 /nfs/dbraw/zinc/90/45/14/1117904514.db2.gz KNFBADINXWAJPR-INIZCTEOSA-N 2 1 288.479 3.923 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2(c3ccc(Cl)cc3)CCC2)CC[N@@H+]1C ZINC000180355554 1117929053 /nfs/dbraw/zinc/92/90/53/1117929053.db2.gz CYPSMFXOKLFXCK-XJKSGUPXSA-N 2 1 292.854 3.792 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2(c3ccc(Cl)cc3)CCC2)CC[N@H+]1C ZINC000180355554 1117929057 /nfs/dbraw/zinc/92/90/57/1117929057.db2.gz CYPSMFXOKLFXCK-XJKSGUPXSA-N 2 1 292.854 3.792 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCc1cccc(Cl)c1 ZINC000180462964 1117930279 /nfs/dbraw/zinc/93/02/79/1117930279.db2.gz XOMPWOQPKIGXBJ-CPUCHLNUSA-N 2 1 294.870 3.591 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@@H]3[C@@H]4CCC[C@@H]43)CC23CC3)cc1 ZINC000579377283 1128746438 /nfs/dbraw/zinc/74/64/38/1128746438.db2.gz LUVKLDSVUHQZPV-AKHDSKFASA-N 2 1 296.458 3.572 20 0 CHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+][C@@H]3[C@@H]4CCC[C@@H]43)CC23CC3)cc1 ZINC000579377283 1128746443 /nfs/dbraw/zinc/74/64/43/1128746443.db2.gz LUVKLDSVUHQZPV-AKHDSKFASA-N 2 1 296.458 3.572 20 0 CHADMP CCCC[N@@H+](C)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208929454 1117969070 /nfs/dbraw/zinc/96/90/70/1117969070.db2.gz SPDFBMBVPDQWNG-GOSISDBHSA-N 2 1 274.452 3.631 20 0 CHADMP CCCC[NH+](C)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208929454 1117969073 /nfs/dbraw/zinc/96/90/73/1117969073.db2.gz SPDFBMBVPDQWNG-GOSISDBHSA-N 2 1 274.452 3.631 20 0 CHADMP CCCC[NH+](C)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208929454 1117969076 /nfs/dbraw/zinc/96/90/76/1117969076.db2.gz SPDFBMBVPDQWNG-GOSISDBHSA-N 2 1 274.452 3.631 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CC[C@H]2C2CC2)cc1F ZINC000348089282 1117970825 /nfs/dbraw/zinc/97/08/25/1117970825.db2.gz SWHSTFKFXBVOFI-RDJZCZTQSA-N 2 1 299.393 3.598 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CC2)cc1F ZINC000348089281 1117971311 /nfs/dbraw/zinc/97/13/11/1117971311.db2.gz SWHSTFKFXBVOFI-NVXWUHKLSA-N 2 1 299.393 3.598 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccc(Cl)cc2)C1 ZINC000232668474 1117973557 /nfs/dbraw/zinc/97/35/57/1117973557.db2.gz MLYBTVPKRWLRNP-GOEBONIOSA-N 2 1 294.870 3.591 20 0 CHADMP CCCC[N@@H+](CCn1ccnc1C)C1CCCCC1 ZINC000339798075 1117976266 /nfs/dbraw/zinc/97/62/66/1117976266.db2.gz NOLYCFXNPZSPDU-UHFFFAOYSA-N 2 1 263.429 3.626 20 0 CHADMP CCCC[N@H+](CCn1cc[nH+]c1C)C1CCCCC1 ZINC000339798075 1117976268 /nfs/dbraw/zinc/97/62/68/1117976268.db2.gz NOLYCFXNPZSPDU-UHFFFAOYSA-N 2 1 263.429 3.626 20 0 CHADMP CCCC[N@@H+](CCn1cc[nH+]c1C)C1CCCCC1 ZINC000339798075 1117976272 /nfs/dbraw/zinc/97/62/72/1117976272.db2.gz NOLYCFXNPZSPDU-UHFFFAOYSA-N 2 1 263.429 3.626 20 0 CHADMP Cc1ccc([C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)C2CC2)cc1 ZINC000624122149 1117984440 /nfs/dbraw/zinc/98/44/40/1117984440.db2.gz KWKJJEQSBZTPDF-LPHOPBHVSA-N 2 1 286.463 3.768 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(F)cc1Cl ZINC000624121281 1117984722 /nfs/dbraw/zinc/98/47/22/1117984722.db2.gz SGMWCFUNHRHOJC-CHWSQXEVSA-N 2 1 298.833 3.862 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1Cl ZINC000624121281 1117984727 /nfs/dbraw/zinc/98/47/27/1117984727.db2.gz SGMWCFUNHRHOJC-CHWSQXEVSA-N 2 1 298.833 3.862 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc2ccccc2n1 ZINC000624121130 1117984836 /nfs/dbraw/zinc/98/48/36/1117984836.db2.gz OSMMTOFMSXXUQP-CVEARBPZSA-N 2 1 297.446 3.617 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc2ccccc2n1 ZINC000624121130 1117984841 /nfs/dbraw/zinc/98/48/41/1117984841.db2.gz OSMMTOFMSXXUQP-CVEARBPZSA-N 2 1 297.446 3.617 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)s1 ZINC000624120109 1117984953 /nfs/dbraw/zinc/98/49/53/1117984953.db2.gz RLJGOPDYQWZVFV-NEPJUHHUSA-N 2 1 286.872 3.784 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C(C)(C)c1ccccc1 ZINC000624122076 1117986323 /nfs/dbraw/zinc/98/63/23/1117986323.db2.gz JFNKEVITKRHERS-IAGOWNOFSA-N 2 1 288.479 3.674 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1C ZINC000624120430 1117986428 /nfs/dbraw/zinc/98/64/28/1117986428.db2.gz YWRSRYUBFZLOQS-IRXDYDNUSA-N 2 1 274.452 3.686 20 0 CHADMP CC[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000579480502 1128749084 /nfs/dbraw/zinc/74/90/84/1128749084.db2.gz FRYHBVZUTIKICP-HIFRSBDPSA-N 2 1 280.481 3.609 20 0 CHADMP CC[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000579480502 1128749087 /nfs/dbraw/zinc/74/90/87/1128749087.db2.gz FRYHBVZUTIKICP-HIFRSBDPSA-N 2 1 280.481 3.609 20 0 CHADMP CC[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000579480502 1128749091 /nfs/dbraw/zinc/74/90/91/1128749091.db2.gz FRYHBVZUTIKICP-HIFRSBDPSA-N 2 1 280.481 3.609 20 0 CHADMP CC[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000579480502 1128749094 /nfs/dbraw/zinc/74/90/94/1128749094.db2.gz FRYHBVZUTIKICP-HIFRSBDPSA-N 2 1 280.481 3.609 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](C)Cc2ccccc2)C1 ZINC000182043136 1118011727 /nfs/dbraw/zinc/01/17/27/1118011727.db2.gz MOOVHOFWSOLDME-HKUYNNGSSA-N 2 1 288.479 3.529 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](C)Cc2ccccc2)C1 ZINC000182043136 1118011730 /nfs/dbraw/zinc/01/17/30/1118011730.db2.gz MOOVHOFWSOLDME-HKUYNNGSSA-N 2 1 288.479 3.529 20 0 CHADMP CC(C)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC000182073361 1118013180 /nfs/dbraw/zinc/01/31/80/1118013180.db2.gz QUJXBOKCFNIFSO-CXAGYDPISA-N 2 1 296.405 3.593 20 0 CHADMP Cc1cccc(NCC2CC[NH+](Cc3ccccc3)CC2)[nH+]1 ZINC000357885502 1118014161 /nfs/dbraw/zinc/01/41/61/1118014161.db2.gz AISSVJTUCKZFAO-UHFFFAOYSA-N 2 1 295.430 3.714 20 0 CHADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)C1CCCCC1 ZINC001140023789 1118017829 /nfs/dbraw/zinc/01/78/29/1118017829.db2.gz XQEGOWBEAYGLBB-UHFFFAOYSA-N 2 1 283.419 3.945 20 0 CHADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)C1CCCCC1 ZINC001140023789 1118017834 /nfs/dbraw/zinc/01/78/34/1118017834.db2.gz XQEGOWBEAYGLBB-UHFFFAOYSA-N 2 1 283.419 3.945 20 0 CHADMP C[C@H](C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)c1cccc(Cl)c1 ZINC000683358846 1118069780 /nfs/dbraw/zinc/06/97/80/1118069780.db2.gz GHYJFALHFNAHJU-PBHICJAKSA-N 2 1 294.870 3.860 20 0 CHADMP C[C@H](C[N@H+]1CCC[C@H]([NH+](C)C)CC1)c1cccc(Cl)c1 ZINC000683358846 1118069786 /nfs/dbraw/zinc/06/97/86/1118069786.db2.gz GHYJFALHFNAHJU-PBHICJAKSA-N 2 1 294.870 3.860 20 0 CHADMP CC(C)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398193437 1118095696 /nfs/dbraw/zinc/09/56/96/1118095696.db2.gz NHDJADDNZQZQPT-SOLBZPMBSA-N 2 1 274.452 3.531 20 0 CHADMP CC(C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398193437 1118095702 /nfs/dbraw/zinc/09/57/02/1118095702.db2.gz NHDJADDNZQZQPT-SOLBZPMBSA-N 2 1 274.452 3.531 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCCC12CCCC2 ZINC000340192323 1118108199 /nfs/dbraw/zinc/10/81/99/1118108199.db2.gz YFHJQPFNRNTBPJ-INIZCTEOSA-N 2 1 275.440 3.674 20 0 CHADMP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000312498817 1118114699 /nfs/dbraw/zinc/11/46/99/1118114699.db2.gz LENXLBQIYKEXMG-VXGBXAGGSA-N 2 1 297.512 3.597 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2CC3CCC2CC3)CC1 ZINC001167283194 1118155507 /nfs/dbraw/zinc/15/55/07/1118155507.db2.gz BBTZAPPOXGKSHU-OFLPRAFFSA-N 2 1 278.484 3.617 20 0 CHADMP C[C@@H](c1cccc2ccccc21)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000131502093 1118157600 /nfs/dbraw/zinc/15/76/00/1118157600.db2.gz JAWTZEWGZPQESA-ILXRZTDVSA-N 2 1 268.404 3.570 20 0 CHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C/C=C\c2ccccc2)C1 ZINC001648816574 1118228397 /nfs/dbraw/zinc/22/83/97/1118228397.db2.gz AFLWQDWQVOWGOA-IKPBFSQCSA-N 2 1 286.463 3.802 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[C@@H](C)F)cc1 ZINC000340465867 1118269506 /nfs/dbraw/zinc/26/95/06/1118269506.db2.gz XWHSZXYPVPQHBV-OLZOCXBDSA-N 2 1 275.371 3.579 20 0 CHADMP C[C@H]([NH2+]Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000306747605 1118340550 /nfs/dbraw/zinc/34/05/50/1118340550.db2.gz FPYBZZMJEUEXHH-PXNSSMCTSA-N 2 1 294.442 3.687 20 0 CHADMP Cc1ccc2oc(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)cc2c1 ZINC000580097456 1118378412 /nfs/dbraw/zinc/37/84/12/1118378412.db2.gz NQONCMHRADDPNI-GRDNDAEWSA-N 2 1 286.419 3.560 20 0 CHADMP Cc1ccc2oc(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)cc2c1 ZINC000580097456 1118378416 /nfs/dbraw/zinc/37/84/16/1118378416.db2.gz NQONCMHRADDPNI-GRDNDAEWSA-N 2 1 286.419 3.560 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C/C=C\c2ccc(F)cc2)[C@@H](C)C1 ZINC000255393505 1118422213 /nfs/dbraw/zinc/42/22/13/1118422213.db2.gz FYUFNEOZVVLAHN-YMTSHVIYSA-N 2 1 290.426 3.501 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C/C=C\c2ccc(F)cc2)[C@@H](C)C1 ZINC000255393505 1118422216 /nfs/dbraw/zinc/42/22/16/1118422216.db2.gz FYUFNEOZVVLAHN-YMTSHVIYSA-N 2 1 290.426 3.501 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C/C=C\c2ccc(F)cc2)[C@@H](C)C1 ZINC000255393505 1118422217 /nfs/dbraw/zinc/42/22/17/1118422217.db2.gz FYUFNEOZVVLAHN-YMTSHVIYSA-N 2 1 290.426 3.501 20 0 CHADMP C[N@H+](CCC1=CCCCC1)CC[C@H]1CCCC[NH+]1C ZINC001657424499 1118456415 /nfs/dbraw/zinc/45/64/15/1118456415.db2.gz QSZQEJWPCWVWJN-QGZVFWFLSA-N 2 1 264.457 3.683 20 0 CHADMP C[NH+](CCC1=CCCCC1)CC[C@H]1CCCC[N@@H+]1C ZINC001657424499 1118456421 /nfs/dbraw/zinc/45/64/21/1118456421.db2.gz QSZQEJWPCWVWJN-QGZVFWFLSA-N 2 1 264.457 3.683 20 0 CHADMP C[NH+](CCC1=CCCCC1)CC[C@H]1CCCC[N@H+]1C ZINC001657424499 1118456425 /nfs/dbraw/zinc/45/64/25/1118456425.db2.gz QSZQEJWPCWVWJN-QGZVFWFLSA-N 2 1 264.457 3.683 20 0 CHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000430551373 1118559089 /nfs/dbraw/zinc/55/90/89/1118559089.db2.gz HUJXLBHGOLDDTJ-QFBILLFUSA-N 2 1 296.458 3.832 20 0 CHADMP CC(C)C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000341036123 1118591635 /nfs/dbraw/zinc/59/16/35/1118591635.db2.gz ITISMTWGLKPGES-ZWKOTPCHSA-N 2 1 274.452 3.848 20 0 CHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc(C(F)F)c2)CC1 ZINC000131825208 1118647055 /nfs/dbraw/zinc/64/70/55/1118647055.db2.gz IWFGMMKWIHRBFR-UHFFFAOYSA-N 2 1 296.405 3.977 20 0 CHADMP Cc1ncc([C@H](C)[NH2+]CCC[N@H+](C)C2CCCCC2)s1 ZINC000090401240 1118650458 /nfs/dbraw/zinc/65/04/58/1118650458.db2.gz BSMNUIPTDORQQP-ZDUSSCGKSA-N 2 1 295.496 3.757 20 0 CHADMP Cc1ncc([C@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)s1 ZINC000090401240 1118650462 /nfs/dbraw/zinc/65/04/62/1118650462.db2.gz BSMNUIPTDORQQP-ZDUSSCGKSA-N 2 1 295.496 3.757 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2cccc(C3CCCC3)c2)CC[C@@H]1[NH3+] ZINC000656784902 1118657601 /nfs/dbraw/zinc/65/76/01/1118657601.db2.gz FDNXNDIBDMXLQZ-KDOFPFPSSA-N 2 1 272.436 3.513 20 0 CHADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(C3CCCC3)c2)C1 ZINC000656785711 1118657749 /nfs/dbraw/zinc/65/77/49/1118657749.db2.gz IOCHQTHHOSLIRT-KSSFIOAISA-N 2 1 272.436 3.513 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(C)cc(C)c2)CC1 ZINC000510449381 1118665775 /nfs/dbraw/zinc/66/57/75/1118665775.db2.gz ICKCYAWKJJNAOQ-UHFFFAOYSA-N 2 1 274.452 3.610 20 0 CHADMP Cc1ncc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)s1 ZINC000090402942 1118673845 /nfs/dbraw/zinc/67/38/45/1118673845.db2.gz MGMOROROPOHCLR-UONOGXRCSA-N 2 1 295.496 3.614 20 0 CHADMP CC[N@H+](CC[NH2+]CC1CCC(C(F)(F)F)CC1)C(C)C ZINC000341420117 1118701302 /nfs/dbraw/zinc/70/13/02/1118701302.db2.gz FYYQSYPYNSBEPF-UHFFFAOYSA-N 2 1 294.405 3.675 20 0 CHADMP CC[N@@H+](CC[NH2+]CC1CCC(C(F)(F)F)CC1)C(C)C ZINC000341420117 1118701304 /nfs/dbraw/zinc/70/13/04/1118701304.db2.gz FYYQSYPYNSBEPF-UHFFFAOYSA-N 2 1 294.405 3.675 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000062014444 1118776396 /nfs/dbraw/zinc/77/63/96/1118776396.db2.gz YSPNCVMOIQEYPU-KGLIPLIRSA-N 2 1 280.843 3.723 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3ccc(C)cc32)[C@@H](C)C1 ZINC000426351342 1118794054 /nfs/dbraw/zinc/79/40/54/1118794054.db2.gz KNWOXNDLGGOMIV-KFKAGJAMSA-N 2 1 286.463 3.692 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC[C@@H](C)[C@@H](C)C2)C1 ZINC000129443702 1118829896 /nfs/dbraw/zinc/82/98/96/1118829896.db2.gz RLIBGGKDCAKCAY-QZWWFDLISA-N 2 1 266.473 3.521 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261986631 1118853720 /nfs/dbraw/zinc/85/37/20/1118853720.db2.gz JUAQKWHKUALMLD-UHFFFAOYSA-N 2 1 292.854 3.532 20 0 CHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000092587849 1118857006 /nfs/dbraw/zinc/85/70/06/1118857006.db2.gz YBVXAGDSQHFZIW-INIZCTEOSA-N 2 1 292.492 3.692 20 0 CHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000092587849 1118857011 /nfs/dbraw/zinc/85/70/11/1118857011.db2.gz YBVXAGDSQHFZIW-INIZCTEOSA-N 2 1 292.492 3.692 20 0 CHADMP CC[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000401383552 1118902791 /nfs/dbraw/zinc/90/27/91/1118902791.db2.gz IDUPPFQJBMRZAH-BBWFWOEESA-N 2 1 266.473 3.523 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2(C3CCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000651984173 1118935310 /nfs/dbraw/zinc/93/53/10/1118935310.db2.gz VYFYDRYXCSTKDV-APWZRJJASA-N 2 1 298.474 3.962 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2(C3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000651984173 1118935314 /nfs/dbraw/zinc/93/53/14/1118935314.db2.gz VYFYDRYXCSTKDV-APWZRJJASA-N 2 1 298.474 3.962 20 0 CHADMP CCC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(F)cc1F ZINC000342271745 1118964159 /nfs/dbraw/zinc/96/41/59/1118964159.db2.gz XZSHLKWLSYVEHD-RHSMWYFYSA-N 2 1 296.405 3.880 20 0 CHADMP CCC[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(F)cc1F ZINC000342271745 1118964161 /nfs/dbraw/zinc/96/41/61/1118964161.db2.gz XZSHLKWLSYVEHD-RHSMWYFYSA-N 2 1 296.405 3.880 20 0 CHADMP CC[C@H]1CCC[C@@H]([NH2+]CCCn2cc[nH+]c2C)CC1 ZINC000657317595 1118997051 /nfs/dbraw/zinc/99/70/51/1118997051.db2.gz CRAQBBQJZMNKRM-JKSUJKDBSA-N 2 1 263.429 3.530 20 0 CHADMP CC1(C)Cc2occc2[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000119668862 1118999907 /nfs/dbraw/zinc/99/99/07/1118999907.db2.gz FLMXCGCHUYINMX-INIZCTEOSA-N 2 1 288.435 3.510 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC000582095531 1119007079 /nfs/dbraw/zinc/00/70/79/1119007079.db2.gz VXRHOMMCVIDJMN-QZTJIDSGSA-N 2 1 272.436 3.698 20 0 CHADMP c1cc2c(o1)CCC[C@@H]2[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000152276767 1119025789 /nfs/dbraw/zinc/02/57/89/1119025789.db2.gz MEIUTDIOWZUJGL-KRWDZBQOSA-N 2 1 288.435 3.654 20 0 CHADMP CC[C@@H]1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207293506 1119073089 /nfs/dbraw/zinc/07/30/89/1119073089.db2.gz ARYNQACWOFFSKB-QGZVFWFLSA-N 2 1 286.463 3.631 20 0 CHADMP Cc1ccc([C@H](C)C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000628183957 1128823557 /nfs/dbraw/zinc/82/35/57/1128823557.db2.gz UTJRPEMYZCWSQW-JFIYKMOQSA-N 2 1 274.452 3.513 20 0 CHADMP Cc1ccc([C@H](C)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000628183957 1128823560 /nfs/dbraw/zinc/82/35/60/1128823560.db2.gz UTJRPEMYZCWSQW-JFIYKMOQSA-N 2 1 274.452 3.513 20 0 CHADMP Cc1ccc([C@H](C)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000628183957 1128823565 /nfs/dbraw/zinc/82/35/65/1128823565.db2.gz UTJRPEMYZCWSQW-JFIYKMOQSA-N 2 1 274.452 3.513 20 0 CHADMP Cc1ccc([C@H](C)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000628183957 1128823570 /nfs/dbraw/zinc/82/35/70/1128823570.db2.gz UTJRPEMYZCWSQW-JFIYKMOQSA-N 2 1 274.452 3.513 20 0 CHADMP Cc1ccc([C@H](C)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000628183957 1128823576 /nfs/dbraw/zinc/82/35/76/1128823576.db2.gz UTJRPEMYZCWSQW-JFIYKMOQSA-N 2 1 274.452 3.513 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCCCC[C@H]1CC(C)C ZINC000342866289 1119219139 /nfs/dbraw/zinc/21/91/39/1119219139.db2.gz YUXAAEZPFWOSHV-KRWDZBQOSA-N 2 1 277.456 3.872 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCCC[C@H]1CC(C)C ZINC000342866289 1119219141 /nfs/dbraw/zinc/21/91/41/1119219141.db2.gz YUXAAEZPFWOSHV-KRWDZBQOSA-N 2 1 277.456 3.872 20 0 CHADMP CC[C@H]1CCCC[C@H]1C[NH2+]CCCCn1cc[nH+]c1C ZINC000628218405 1128830379 /nfs/dbraw/zinc/83/03/79/1128830379.db2.gz DWVQRMWLDUSTJV-IRXDYDNUSA-N 2 1 277.456 3.778 20 0 CHADMP CC(C)CC[C@H]([NH2+]C1CC[NH+](C)CC1)C(C)(C)C ZINC000121809119 1119269103 /nfs/dbraw/zinc/26/91/03/1119269103.db2.gz JXXXZYOGUIOWMV-HNNXBMFYSA-N 2 1 254.462 3.521 20 0 CHADMP CC(C)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000154852285 1119321126 /nfs/dbraw/zinc/32/11/26/1119321126.db2.gz ADYRDEAQYVTWDZ-HNNXBMFYSA-N 2 1 262.441 3.661 20 0 CHADMP C[C@@H](c1ccccc1Cl)[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000261630278 1119347218 /nfs/dbraw/zinc/34/72/18/1119347218.db2.gz ATIAKABXKHCMDG-KBPBESRZSA-N 2 1 292.854 3.865 20 0 CHADMP C[C@@H](c1ccccc1Cl)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000261630278 1119347219 /nfs/dbraw/zinc/34/72/19/1119347219.db2.gz ATIAKABXKHCMDG-KBPBESRZSA-N 2 1 292.854 3.865 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CC3(CCC3)C2)c1 ZINC000448059241 1119363253 /nfs/dbraw/zinc/36/32/53/1119363253.db2.gz YDSKQWNQROVLSP-UHFFFAOYSA-N 2 1 272.436 3.561 20 0 CHADMP CC(C)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657771141 1119377835 /nfs/dbraw/zinc/37/78/35/1119377835.db2.gz CECOMZBMDSMHTC-GOSISDBHSA-N 2 1 286.463 3.534 20 0 CHADMP CC1(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000657773863 1119384199 /nfs/dbraw/zinc/38/41/99/1119384199.db2.gz UWQAFWCKTZLLMC-SFHVURJKSA-N 2 1 298.474 3.678 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000343503542 1119436117 /nfs/dbraw/zinc/43/61/17/1119436117.db2.gz FREQAUCBXQCQAX-HBUWYVDXSA-N 2 1 283.419 3.666 20 0 CHADMP CCC(CC)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000151291595 1119448614 /nfs/dbraw/zinc/44/86/14/1119448614.db2.gz YUKHDBHAHDTJDX-UHFFFAOYSA-N 2 1 292.442 3.611 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(Cl)s1 ZINC000623348724 1119461222 /nfs/dbraw/zinc/46/12/22/1119461222.db2.gz JEILBNIUQUIHQC-GHMZBOCLSA-N 2 1 286.872 3.925 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(Cl)s1 ZINC000623348724 1119461223 /nfs/dbraw/zinc/46/12/23/1119461223.db2.gz JEILBNIUQUIHQC-GHMZBOCLSA-N 2 1 286.872 3.925 20 0 CHADMP Cc1cc[nH+]c(N[C@@H]2CC[N@H+](C)C(C)(C)C2)c1C1CC1 ZINC000628337462 1128849144 /nfs/dbraw/zinc/84/91/44/1128849144.db2.gz GVONJJUHGQNLDP-CQSZACIVSA-N 2 1 273.424 3.552 20 0 CHADMP CC[NH+]1CCC(N[C@H](C)c2sc(C(C)C)nc2C)CC1 ZINC000159272917 1119488735 /nfs/dbraw/zinc/48/87/35/1119488735.db2.gz XFINNBWXPHJAFX-GFCCVEGCSA-N 2 1 295.496 3.710 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C(C)(C)C(F)F ZINC000657838798 1119503192 /nfs/dbraw/zinc/50/31/92/1119503192.db2.gz YFOGVKJJBSOBIL-KGLIPLIRSA-N 2 1 290.442 3.768 20 0 CHADMP CCC[NH+]1CCC([NH2+]C2(c3cccc(F)c3)CCC2)CC1 ZINC000647330090 1119509705 /nfs/dbraw/zinc/50/97/05/1119509705.db2.gz CNFNPEPUNAHHJK-UHFFFAOYSA-N 2 1 290.426 3.669 20 0 CHADMP C[C@H](c1ccccc1F)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081635557 1119519998 /nfs/dbraw/zinc/51/99/98/1119519998.db2.gz WXHUOMPBGMEURI-GDBMZVCRSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@H](c1ccccc1F)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081635557 1119519999 /nfs/dbraw/zinc/51/99/99/1119519999.db2.gz WXHUOMPBGMEURI-GDBMZVCRSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@H](c1ccccc1F)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081635557 1119520000 /nfs/dbraw/zinc/52/00/00/1119520000.db2.gz WXHUOMPBGMEURI-GDBMZVCRSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@H](c1ccccc1F)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081635557 1119520001 /nfs/dbraw/zinc/52/00/01/1119520001.db2.gz WXHUOMPBGMEURI-GDBMZVCRSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@H](c1ccccc1F)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081635557 1119520002 /nfs/dbraw/zinc/52/00/02/1119520002.db2.gz WXHUOMPBGMEURI-GDBMZVCRSA-N 2 1 290.426 3.550 20 0 CHADMP CCC(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000562834877 1119526272 /nfs/dbraw/zinc/52/62/72/1119526272.db2.gz MWEZZLUBJWURRI-DLBZAZTESA-N 2 1 274.452 3.848 20 0 CHADMP CCC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000562834877 1119526275 /nfs/dbraw/zinc/52/62/75/1119526275.db2.gz MWEZZLUBJWURRI-DLBZAZTESA-N 2 1 274.452 3.848 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CC2(C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000090773031 1119549956 /nfs/dbraw/zinc/54/99/56/1119549956.db2.gz ZMKKFNIUXQVYDZ-VQIMIIECSA-N 2 1 298.474 3.819 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]CC2(C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000090773031 1119549957 /nfs/dbraw/zinc/54/99/57/1119549957.db2.gz ZMKKFNIUXQVYDZ-VQIMIIECSA-N 2 1 298.474 3.819 20 0 CHADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000231439062 1119589429 /nfs/dbraw/zinc/58/94/29/1119589429.db2.gz PXFIUZYKQAQFJV-QAPCUYQASA-N 2 1 298.430 3.654 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)cc(Cl)cc2C)C1 ZINC001648920748 1119595497 /nfs/dbraw/zinc/59/54/97/1119595497.db2.gz FQPRPWQSNBTECI-OAHLLOKOSA-N 2 1 294.870 3.778 20 0 CHADMP Cc1cc(Cl)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000468390999 1119598338 /nfs/dbraw/zinc/59/83/38/1119598338.db2.gz AQWZYVPWPIRWBI-RDJZCZTQSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(Cl)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000468390999 1119598339 /nfs/dbraw/zinc/59/83/39/1119598339.db2.gz AQWZYVPWPIRWBI-RDJZCZTQSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000468390999 1119598341 /nfs/dbraw/zinc/59/83/41/1119598341.db2.gz AQWZYVPWPIRWBI-RDJZCZTQSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000468390999 1119598343 /nfs/dbraw/zinc/59/83/43/1119598343.db2.gz AQWZYVPWPIRWBI-RDJZCZTQSA-N 2 1 292.854 3.565 20 0 CHADMP CC[N@@H+](CCC(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000685456446 1119609803 /nfs/dbraw/zinc/60/98/03/1119609803.db2.gz PNUQQPSOTCOINY-UHFFFAOYSA-N 2 1 262.441 3.616 20 0 CHADMP CCC(CC)[N@@H+](CC)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685476213 1119613292 /nfs/dbraw/zinc/61/32/92/1119613292.db2.gz ICVMLHUYUBTRMS-UHFFFAOYSA-N 2 1 292.467 3.638 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000144743611 1119640456 /nfs/dbraw/zinc/64/04/56/1119640456.db2.gz OEXXLGZXNOPIEV-GFCCVEGCSA-N 2 1 277.799 3.586 20 0 CHADMP Cc1cc(NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000309744932 1119659538 /nfs/dbraw/zinc/65/95/38/1119659538.db2.gz TVXPTNZNFGSKMQ-LJQANCHMSA-N 2 1 295.430 3.714 20 0 CHADMP CC(C)(C)C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000236619806 1119790344 /nfs/dbraw/zinc/79/03/44/1119790344.db2.gz QBEIUVXLCFPPEM-AWEZNQCLSA-N 2 1 280.481 3.596 20 0 CHADMP CC(C)(C)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000236619806 1119790346 /nfs/dbraw/zinc/79/03/46/1119790346.db2.gz QBEIUVXLCFPPEM-AWEZNQCLSA-N 2 1 280.481 3.596 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C3CCCC3)CC23CC3)cc1 ZINC000570279036 1119816398 /nfs/dbraw/zinc/81/63/98/1119816398.db2.gz DAEPTYHQNNDRHN-SFHVURJKSA-N 2 1 284.447 3.716 20 0 CHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CCCC3)CC23CC3)cc1 ZINC000570279036 1119816400 /nfs/dbraw/zinc/81/64/00/1119816400.db2.gz DAEPTYHQNNDRHN-SFHVURJKSA-N 2 1 284.447 3.716 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C[C@H]3CC=CCC3)C2)cc1 ZINC000309731125 1119833787 /nfs/dbraw/zinc/83/37/87/1119833787.db2.gz PCPONDNOPLACBE-AZUAARDMSA-N 2 1 298.474 3.845 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C[C@@H]3CC=CCC3)C2)cc1 ZINC000309731127 1119834142 /nfs/dbraw/zinc/83/41/42/1119834142.db2.gz PCPONDNOPLACBE-QUCCMNQESA-N 2 1 298.474 3.845 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@H]2C[C@H]2C)c1 ZINC000414061724 1119875388 /nfs/dbraw/zinc/87/53/88/1119875388.db2.gz AVNLBMYIKWTCSF-VKJFTORMSA-N 2 1 274.452 3.661 20 0 CHADMP CCC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000414175630 1119927173 /nfs/dbraw/zinc/92/71/73/1119927173.db2.gz HMVVXARMPRDNBP-GOEBONIOSA-N 2 1 280.481 3.911 20 0 CHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CC(C)(C)Cc3occc32)C1 ZINC000414180307 1119929887 /nfs/dbraw/zinc/92/98/87/1119929887.db2.gz LUUSZGBEMCTBNK-ZBFHGGJFSA-N 2 1 290.451 3.615 20 0 CHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1nccc2ccccc21 ZINC000414187082 1119931934 /nfs/dbraw/zinc/93/19/34/1119931934.db2.gz PPJSVJQNIRRVDK-HZPDHXFCSA-N 2 1 297.446 3.617 20 0 CHADMP CC(C)[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414198760 1119935056 /nfs/dbraw/zinc/93/50/56/1119935056.db2.gz WKIHMFLDRRYVBV-MOPGFXCFSA-N 2 1 288.479 3.575 20 0 CHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc12 ZINC000414208741 1119939406 /nfs/dbraw/zinc/93/94/06/1119939406.db2.gz JDZOKMYTUGBUQE-QZTJIDSGSA-N 2 1 294.442 3.865 20 0 CHADMP c1c2ccccc2oc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543982 1120004536 /nfs/dbraw/zinc/00/45/36/1120004536.db2.gz VFDKXURMVRPPJN-IAGOWNOFSA-N 2 1 298.430 3.644 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CC2(C)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000090220124 1120019755 /nfs/dbraw/zinc/01/97/55/1120019755.db2.gz HQQHFNWLVRPLBC-WMZOPIPTSA-N 2 1 286.463 3.819 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CC2(C)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000090220124 1120019758 /nfs/dbraw/zinc/01/97/58/1120019758.db2.gz HQQHFNWLVRPLBC-WMZOPIPTSA-N 2 1 286.463 3.819 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000381724923 1128885826 /nfs/dbraw/zinc/88/58/26/1128885826.db2.gz RZJDBNVAONZFNH-OTBWCIGPSA-N 2 1 266.473 3.521 20 0 CHADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134866733 1120047354 /nfs/dbraw/zinc/04/73/54/1120047354.db2.gz LTOQXZKORFVCSK-SZVBFZGTSA-N 2 1 284.447 3.696 20 0 CHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134866733 1120047360 /nfs/dbraw/zinc/04/73/60/1120047360.db2.gz LTOQXZKORFVCSK-SZVBFZGTSA-N 2 1 284.447 3.696 20 0 CHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134866733 1120047366 /nfs/dbraw/zinc/04/73/66/1120047366.db2.gz LTOQXZKORFVCSK-SZVBFZGTSA-N 2 1 284.447 3.696 20 0 CHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134866733 1120047372 /nfs/dbraw/zinc/04/73/72/1120047372.db2.gz LTOQXZKORFVCSK-SZVBFZGTSA-N 2 1 284.447 3.696 20 0 CHADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623657758 1120064896 /nfs/dbraw/zinc/06/48/96/1120064896.db2.gz YGQHFTCKSTXLPU-GDBMZVCRSA-N 2 1 294.870 3.593 20 0 CHADMP CC(C)[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000624121933 1120101115 /nfs/dbraw/zinc/10/11/15/1120101115.db2.gz GGPKTOFOVJGJQC-FUHWJXTLSA-N 2 1 274.452 3.705 20 0 CHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000624122680 1120103543 /nfs/dbraw/zinc/10/35/43/1120103543.db2.gz YOEOFPCFBQMMFC-BHIYHBOVSA-N 2 1 286.463 3.644 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ccccc1F)C(C)C ZINC000661485362 1120136778 /nfs/dbraw/zinc/13/67/78/1120136778.db2.gz PCADWMXQBPCGGU-QGZVFWFLSA-N 2 1 289.398 3.708 20 0 CHADMP C[C@@H](C[NH+](C)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000472666158 1120137941 /nfs/dbraw/zinc/13/79/41/1120137941.db2.gz LAEHAJZGBHVBBQ-FUHWJXTLSA-N 2 1 274.452 3.596 20 0 CHADMP C[C@@H](C[NH+](C)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000472666158 1120137943 /nfs/dbraw/zinc/13/79/43/1120137943.db2.gz LAEHAJZGBHVBBQ-FUHWJXTLSA-N 2 1 274.452 3.596 20 0 CHADMP CC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCCC1 ZINC000394612702 1120151551 /nfs/dbraw/zinc/15/15/51/1120151551.db2.gz SVNYJNUUHIOLFP-JKSUJKDBSA-N 2 1 264.457 3.563 20 0 CHADMP CCc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000314408763 1120196759 /nfs/dbraw/zinc/19/67/59/1120196759.db2.gz UQPMSJLDARUEIT-UONOGXRCSA-N 2 1 288.435 3.844 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCCC23CC3)c1 ZINC000565242747 1120207533 /nfs/dbraw/zinc/20/75/33/1120207533.db2.gz HKSXIOXNLMFPQB-SFHVURJKSA-N 2 1 286.463 3.949 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CC2CCC1CC2 ZINC000394296668 1120217875 /nfs/dbraw/zinc/21/78/75/1120217875.db2.gz BDHPQHSFUXZMHX-BVKUPEMCSA-N 2 1 290.495 3.806 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CC2CCC1CC2 ZINC000394296668 1120217880 /nfs/dbraw/zinc/21/78/80/1120217880.db2.gz BDHPQHSFUXZMHX-BVKUPEMCSA-N 2 1 290.495 3.806 20 0 CHADMP CC/C=C/C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000517029691 1120220801 /nfs/dbraw/zinc/22/08/01/1120220801.db2.gz AYDBZWGXQYIADG-JGIVAVPZSA-N 2 1 284.447 3.739 20 0 CHADMP CC/C=C/C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000517029691 1120220804 /nfs/dbraw/zinc/22/08/04/1120220804.db2.gz AYDBZWGXQYIADG-JGIVAVPZSA-N 2 1 284.447 3.739 20 0 CHADMP CC/C=C/C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000517029692 1120221047 /nfs/dbraw/zinc/22/10/47/1120221047.db2.gz AYDBZWGXQYIADG-NTSMAEHXSA-N 2 1 284.447 3.739 20 0 CHADMP CC/C=C/C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000517029692 1120221050 /nfs/dbraw/zinc/22/10/50/1120221050.db2.gz AYDBZWGXQYIADG-NTSMAEHXSA-N 2 1 284.447 3.739 20 0 CHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(F)cc1 ZINC000216004806 1120241640 /nfs/dbraw/zinc/24/16/40/1120241640.db2.gz QRVPFUQPXOKAHO-LSDHHAIUSA-N 2 1 278.415 3.741 20 0 CHADMP CC(C)=CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000659972182 1120316825 /nfs/dbraw/zinc/31/68/25/1120316825.db2.gz SNOLFDHCDXWJOC-LJQANCHMSA-N 2 1 286.463 3.797 20 0 CHADMP CC(C)=CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659972182 1120316830 /nfs/dbraw/zinc/31/68/30/1120316830.db2.gz SNOLFDHCDXWJOC-LJQANCHMSA-N 2 1 286.463 3.797 20 0 CHADMP CC(C)=CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659972182 1120316836 /nfs/dbraw/zinc/31/68/36/1120316836.db2.gz SNOLFDHCDXWJOC-LJQANCHMSA-N 2 1 286.463 3.797 20 0 CHADMP CC(C)=CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000659972181 1120316996 /nfs/dbraw/zinc/31/69/96/1120316996.db2.gz SNOLFDHCDXWJOC-IBGZPJMESA-N 2 1 286.463 3.797 20 0 CHADMP CC(C)=CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659972181 1120316999 /nfs/dbraw/zinc/31/69/99/1120316999.db2.gz SNOLFDHCDXWJOC-IBGZPJMESA-N 2 1 286.463 3.797 20 0 CHADMP CC(C)=CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659972181 1120317004 /nfs/dbraw/zinc/31/70/04/1120317004.db2.gz SNOLFDHCDXWJOC-IBGZPJMESA-N 2 1 286.463 3.797 20 0 CHADMP C[N@H+](CC1CC=CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000660075240 1120365811 /nfs/dbraw/zinc/36/58/11/1120365811.db2.gz YKYAHNQBVATGGC-UHFFFAOYSA-N 2 1 284.447 3.549 20 0 CHADMP C[N@@H+](CC1CC=CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000660075240 1120365813 /nfs/dbraw/zinc/36/58/13/1120365813.db2.gz YKYAHNQBVATGGC-UHFFFAOYSA-N 2 1 284.447 3.549 20 0 CHADMP C[C@H](Cc1ccsc1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000543081643 1120402597 /nfs/dbraw/zinc/40/25/97/1120402597.db2.gz YILBJGKRFYCTTJ-NVXWUHKLSA-N 2 1 292.492 3.629 20 0 CHADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000629527393 1128914037 /nfs/dbraw/zinc/91/40/37/1128914037.db2.gz USOIXYFDXZZEQP-IEECTRCBSA-N 2 1 298.883 3.624 20 0 CHADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417354195 1120434248 /nfs/dbraw/zinc/43/42/48/1120434248.db2.gz ZBORQRVYKQFBGR-LJISPDSOSA-N 2 1 280.481 3.558 20 0 CHADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417354195 1120434252 /nfs/dbraw/zinc/43/42/52/1120434252.db2.gz ZBORQRVYKQFBGR-LJISPDSOSA-N 2 1 280.481 3.558 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(C3CC3)cc2)CC1 ZINC000417354784 1120434847 /nfs/dbraw/zinc/43/48/47/1120434847.db2.gz MQLAWPJRFCPPNC-CQSZACIVSA-N 2 1 272.436 3.699 20 0 CHADMP C[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@@H]1C[C@H]1c1cccs1 ZINC000417364381 1120437360 /nfs/dbraw/zinc/43/73/60/1120437360.db2.gz LVMSQAMFGMQJPD-SOUVJXGZSA-N 2 1 292.492 3.704 20 0 CHADMP C[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@@H]1C[C@H]1c1cccs1 ZINC000417364381 1120437364 /nfs/dbraw/zinc/43/73/64/1120437364.db2.gz LVMSQAMFGMQJPD-SOUVJXGZSA-N 2 1 292.492 3.704 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000019943319 1120497333 /nfs/dbraw/zinc/49/73/33/1120497333.db2.gz DQBJVAZYIFNDTH-CQSZACIVSA-N 2 1 274.408 3.815 20 0 CHADMP CC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000500073894 1120503951 /nfs/dbraw/zinc/50/39/51/1120503951.db2.gz JLTORSVAUQMNRC-HKUYNNGSSA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000500073894 1120503957 /nfs/dbraw/zinc/50/39/57/1120503957.db2.gz JLTORSVAUQMNRC-HKUYNNGSSA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000500073894 1120503971 /nfs/dbraw/zinc/50/39/71/1120503971.db2.gz JLTORSVAUQMNRC-HKUYNNGSSA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000500073894 1120503974 /nfs/dbraw/zinc/50/39/74/1120503974.db2.gz JLTORSVAUQMNRC-HKUYNNGSSA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000500073894 1120503981 /nfs/dbraw/zinc/50/39/81/1120503981.db2.gz JLTORSVAUQMNRC-HKUYNNGSSA-N 2 1 286.463 3.773 20 0 CHADMP CCc1c2ccccc2oc1[C@H](C)[NH2+]CCC[NH+](C)C ZINC000019959026 1120551931 /nfs/dbraw/zinc/55/19/31/1120551931.db2.gz DCWHCJKLLSNLSI-ZDUSSCGKSA-N 2 1 274.408 3.598 20 0 CHADMP CC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCCCCC1 ZINC000394612698 1120589263 /nfs/dbraw/zinc/58/92/63/1120589263.db2.gz SVNYJNUUHIOLFP-HOTGVXAUSA-N 2 1 264.457 3.563 20 0 CHADMP Cc1ccc(C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C2CC2)cc1 ZINC000364451035 1120605435 /nfs/dbraw/zinc/60/54/35/1120605435.db2.gz VSAIYEIDOJTJMY-AABGKKOBSA-N 2 1 298.474 3.533 20 0 CHADMP CCCCC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820907 1128932611 /nfs/dbraw/zinc/93/26/11/1128932611.db2.gz OUGLTOBGAWRLLG-UHFFFAOYSA-N 2 1 289.467 3.810 20 0 CHADMP CC(C)[N@H+](C)CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000054128453 1120633211 /nfs/dbraw/zinc/63/32/11/1120633211.db2.gz YJUUEODOSQYBBY-UHFFFAOYSA-N 2 1 277.799 3.640 20 0 CHADMP CC(C)[N@@H+](C)CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000054128453 1120633215 /nfs/dbraw/zinc/63/32/15/1120633215.db2.gz YJUUEODOSQYBBY-UHFFFAOYSA-N 2 1 277.799 3.640 20 0 CHADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660659294 1120674215 /nfs/dbraw/zinc/67/42/15/1120674215.db2.gz NZFUGXPTWZAGRN-QZTJIDSGSA-N 2 1 272.436 3.555 20 0 CHADMP CCC1(CC)CCC([NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000651748371 1120734696 /nfs/dbraw/zinc/73/46/96/1120734696.db2.gz IZSVXWFWWPNHSC-UHFFFAOYSA-N 2 1 264.457 3.587 20 0 CHADMP CC(C)[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccccc1F ZINC000661482999 1120770503 /nfs/dbraw/zinc/77/05/03/1120770503.db2.gz FKWBPCJVSBTCGP-RHSMWYFYSA-N 2 1 278.415 3.597 20 0 CHADMP CC[C@H]1C[C@@H]([NH2+]CCC[N@@H+](CC)C2CCCCC2)CCO1 ZINC000651910549 1120775553 /nfs/dbraw/zinc/77/55/53/1120775553.db2.gz YFTHTYHXABSFIT-WMZOPIPTSA-N 2 1 296.499 3.578 20 0 CHADMP CC[C@@H]1C[C@H]([NH2+]CCC[N@@H+](CC)C2CCCCC2)CCO1 ZINC000651910548 1120775668 /nfs/dbraw/zinc/77/56/68/1120775668.db2.gz YFTHTYHXABSFIT-SJLPKXTDSA-N 2 1 296.499 3.578 20 0 CHADMP CC(C)C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000652154382 1120792003 /nfs/dbraw/zinc/79/20/03/1120792003.db2.gz DDHAOJHSKNJQGL-WBAXXEDZSA-N 2 1 292.442 3.985 20 0 CHADMP CC(C)C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000652154382 1120792007 /nfs/dbraw/zinc/79/20/07/1120792007.db2.gz DDHAOJHSKNJQGL-WBAXXEDZSA-N 2 1 292.442 3.985 20 0 CHADMP Cc1ccc2[nH]c(CN(C)C[C@H]3CCC[N@@H+](C)C3)cc2c1C ZINC000473142392 1120806474 /nfs/dbraw/zinc/80/64/74/1120806474.db2.gz CFFLRMBWLPHBOG-INIZCTEOSA-N 2 1 299.462 3.558 20 0 CHADMP Cc1ccc2[nH]c(C[NH+](C)C[C@H]3CCC[N@H+](C)C3)cc2c1C ZINC000473142392 1120806481 /nfs/dbraw/zinc/80/64/81/1120806481.db2.gz CFFLRMBWLPHBOG-INIZCTEOSA-N 2 1 299.462 3.558 20 0 CHADMP Cc1ccc2[nH]c(C[NH+](C)C[C@H]3CCC[N@@H+](C)C3)cc2c1C ZINC000473142392 1120806484 /nfs/dbraw/zinc/80/64/84/1120806484.db2.gz CFFLRMBWLPHBOG-INIZCTEOSA-N 2 1 299.462 3.558 20 0 CHADMP CC1(C)C[C@]1(C)C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000925735434 1120843989 /nfs/dbraw/zinc/84/39/89/1120843989.db2.gz ZUBOGHQJVYGYQH-LZLYRXPVSA-N 2 1 272.436 3.506 20 0 CHADMP CCc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C(C)C)cc1 ZINC000054240353 1120855400 /nfs/dbraw/zinc/85/54/00/1120855400.db2.gz MFMCUCWOJPXGHN-MJGOQNOKSA-N 2 1 288.479 3.878 20 0 CHADMP C[C@H](c1cccs1)[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000050953581 1120882268 /nfs/dbraw/zinc/88/22/68/1120882268.db2.gz XADRLLLEXJUMEH-CYBMUJFWSA-N 2 1 266.454 3.521 20 0 CHADMP [NH3+][C@H]1CCC[C@@H](Nc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000115337654 1120893956 /nfs/dbraw/zinc/89/39/56/1120893956.db2.gz NAWYTIYMCPBBRY-NWDGAFQWSA-N 2 1 275.783 3.570 20 0 CHADMP C[C@@H]1CCCN(c2cc[nH+]c3ccsc32)[C@@H]1CCC[NH3+] ZINC000663240689 1120896442 /nfs/dbraw/zinc/89/64/42/1120896442.db2.gz JOXKNYLYAPIQKJ-TZMCWYRMSA-N 2 1 289.448 3.640 20 0 CHADMP CCC1([NH3+])CC[NH+]([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000925756913 1120902588 /nfs/dbraw/zinc/90/25/88/1120902588.db2.gz PQYINSAGRAGMMT-HNNXBMFYSA-N 2 1 278.827 3.531 20 0 CHADMP c1ccc([C@@H]2CC[C@@H](C[N@@H+](C3CC3)C3CC[NH2+]CC3)C2)cc1 ZINC000662235166 1120907546 /nfs/dbraw/zinc/90/75/46/1120907546.db2.gz OPAPPQWUHCWBEA-SJLPKXTDSA-N 2 1 298.474 3.787 20 0 CHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(C(C)(C)C)c2)C1 ZINC000662244489 1120910713 /nfs/dbraw/zinc/91/07/13/1120910713.db2.gz HKODRFHRVGZZLB-GDBMZVCRSA-N 2 1 274.452 3.543 20 0 CHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(C(C)(C)C)c2)C1 ZINC000662244490 1120910823 /nfs/dbraw/zinc/91/08/23/1120910823.db2.gz HKODRFHRVGZZLB-GOEBONIOSA-N 2 1 274.452 3.543 20 0 CHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(C(C)(C)C)c2)C1 ZINC000662244491 1120911174 /nfs/dbraw/zinc/91/11/74/1120911174.db2.gz HKODRFHRVGZZLB-HOCLYGCPSA-N 2 1 274.452 3.543 20 0 CHADMP C[C@@H]1CCC[N@@H+](Cc2cccc3cccnc32)[C@@H]1CCC[NH3+] ZINC000662314861 1120925125 /nfs/dbraw/zinc/92/51/25/1120925125.db2.gz RQNCQBDFVKOYJG-CRAIPNDOSA-N 2 1 297.446 3.574 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000662332830 1120927334 /nfs/dbraw/zinc/92/73/34/1120927334.db2.gz ZAAAFVYWIDJQFJ-UHFFFAOYSA-N 2 1 295.430 3.593 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000662332830 1120927335 /nfs/dbraw/zinc/92/73/35/1120927335.db2.gz ZAAAFVYWIDJQFJ-UHFFFAOYSA-N 2 1 295.430 3.593 20 0 CHADMP CC(C)[N@@H+](C)CCCN[C@@H](C)c1ccc(Cl)cc1 ZINC000221923954 1120936319 /nfs/dbraw/zinc/93/63/19/1120936319.db2.gz ICZUXVKYPZOXJK-ZDUSSCGKSA-N 2 1 268.832 3.721 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000221923954 1120936321 /nfs/dbraw/zinc/93/63/21/1120936321.db2.gz ICZUXVKYPZOXJK-ZDUSSCGKSA-N 2 1 268.832 3.721 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000221923954 1120936325 /nfs/dbraw/zinc/93/63/25/1120936325.db2.gz ICZUXVKYPZOXJK-ZDUSSCGKSA-N 2 1 268.832 3.721 20 0 CHADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344065 1120940481 /nfs/dbraw/zinc/94/04/81/1120940481.db2.gz NIYAYHBXDBUDFM-DJIMGWMZSA-N 2 1 278.484 3.523 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCCNc1[nH+]ccc2[nH]ccc21 ZINC000663391535 1120959753 /nfs/dbraw/zinc/95/97/53/1120959753.db2.gz HQESKNQPFFISRM-AWEZNQCLSA-N 2 1 286.423 3.629 20 0 CHADMP C([NH2+][C@H]1CCCC[C@@H]1C1CC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663465114 1120979884 /nfs/dbraw/zinc/97/98/84/1120979884.db2.gz IBISMPHMZSYELW-UHOSZYNNSA-N 2 1 290.495 3.667 20 0 CHADMP CC[C@@H]1C[N@H+]([C@@H](C)c2c(C)cc(C)cc2C)CC[C@@H]1[NH3+] ZINC000122280427 1120980094 /nfs/dbraw/zinc/98/00/94/1120980094.db2.gz CUDBUNQQMRIXRP-BBWFWOEESA-N 2 1 274.452 3.732 20 0 CHADMP CCC(C)(C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663465530 1120981253 /nfs/dbraw/zinc/98/12/53/1120981253.db2.gz KJHNKASHMWVBFK-GOEBONIOSA-N 2 1 266.473 3.523 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CCCC1 ZINC000663466627 1120982132 /nfs/dbraw/zinc/98/21/32/1120982132.db2.gz WCTQJMLGVSYBPD-WMZOPIPTSA-N 2 1 278.484 3.667 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)o1 ZINC000663467565 1120983500 /nfs/dbraw/zinc/98/35/00/1120983500.db2.gz GSFWJCJJPCWDHZ-ZBFHGGJFSA-N 2 1 290.451 3.615 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)o1 ZINC000663467565 1120983503 /nfs/dbraw/zinc/98/35/03/1120983503.db2.gz GSFWJCJJPCWDHZ-ZBFHGGJFSA-N 2 1 290.451 3.615 20 0 CHADMP c1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C2CC2)cc1 ZINC000663467676 1120983909 /nfs/dbraw/zinc/98/39/09/1120983909.db2.gz HCMWFCXJRLIGPC-FXAWDEMLSA-N 2 1 298.474 3.849 20 0 CHADMP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468550 1120984000 /nfs/dbraw/zinc/98/40/00/1120984000.db2.gz MBTZAOUFMLRMEV-XLIONFOSSA-N 2 1 298.474 3.694 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(C)o1 ZINC000663471751 1120985889 /nfs/dbraw/zinc/98/58/89/1120985889.db2.gz XSZQPXMZKLPVSZ-WMLDXEAASA-N 2 1 290.451 3.669 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(C)o1 ZINC000663471751 1120985893 /nfs/dbraw/zinc/98/58/93/1120985893.db2.gz XSZQPXMZKLPVSZ-WMLDXEAASA-N 2 1 290.451 3.669 20 0 CHADMP CC[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000390836084 1120999918 /nfs/dbraw/zinc/99/99/18/1120999918.db2.gz VEWZRIKVCSMPTK-BFZKSOEOSA-N 2 1 264.457 3.560 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)CCc1cccs1 ZINC001167826588 1121001402 /nfs/dbraw/zinc/00/14/02/1121001402.db2.gz QXQXWOJMKSSKRQ-OAHLLOKOSA-N 2 1 282.497 3.733 20 0 CHADMP CC[C@H]1CCCC[N@H+]1[C@@H](C)CCC[NH+](CC)CC ZINC001167834817 1121031159 /nfs/dbraw/zinc/03/11/59/1121031159.db2.gz MXWZVJYMYNMDEW-HOTGVXAUSA-N 2 1 254.462 3.761 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C1CCC1)C1CCOCC1 ZINC001167836414 1121039035 /nfs/dbraw/zinc/03/90/35/1121039035.db2.gz ZPYUHDSOHWWOJC-MRXNPFEDSA-N 2 1 296.499 3.530 20 0 CHADMP CC[C@H]1CCC[N@H+]([C@H](C)CCC[NH+](CC)CC)C1 ZINC001167837804 1121041469 /nfs/dbraw/zinc/04/14/69/1121041469.db2.gz MVMJVUSIIPUTMN-CVEARBPZSA-N 2 1 254.462 3.619 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2cc(F)ccc2C1 ZINC001167840400 1121048884 /nfs/dbraw/zinc/04/88/84/1121048884.db2.gz GCRSIAPEDSANLF-HNNXBMFYSA-N 2 1 292.442 3.694 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)CCc1cccc(F)c1 ZINC001167842362 1121065952 /nfs/dbraw/zinc/06/59/52/1121065952.db2.gz WPFXKKNXEHSRAF-INIZCTEOSA-N 2 1 294.458 3.811 20 0 CHADMP CC(C)CC(CC(C)C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432426268 1121069436 /nfs/dbraw/zinc/06/94/36/1121069436.db2.gz ZKOQWCQOYPQQLU-KRWDZBQOSA-N 2 1 298.515 3.538 20 0 CHADMP CC[NH+]1CCC([NH2+]C2CCC(C(C)(C)C)CC2)CC1 ZINC000037977188 1121095690 /nfs/dbraw/zinc/09/56/90/1121095690.db2.gz GGMYKAHOGYFTNA-UHFFFAOYSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@@H]1C[C@H]1C[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001279268283 1121132025 /nfs/dbraw/zinc/13/20/25/1121132025.db2.gz ABKOZCGRYCHVMY-SJORKVTESA-N 2 1 290.495 3.763 20 0 CHADMP CCCC[N@@H+](CCOC(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174983586 1121141535 /nfs/dbraw/zinc/14/15/35/1121141535.db2.gz JFTRLKQKYFBEAQ-UHFFFAOYSA-N 2 1 298.515 3.823 20 0 CHADMP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000925825656 1121152791 /nfs/dbraw/zinc/15/27/91/1121152791.db2.gz BDCOHGBICKZFPF-PJSAGSTRSA-N 2 1 284.378 3.930 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]CC2(C)CCC2)c1 ZINC000434774681 1121171234 /nfs/dbraw/zinc/17/12/34/1121171234.db2.gz LKSINSRMQUOKIO-UHFFFAOYSA-N 2 1 274.452 3.807 20 0 CHADMP CC(C)(C)SCCC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001175120857 1121190720 /nfs/dbraw/zinc/19/07/20/1121190720.db2.gz PSGROVXKNOTVEZ-UHFFFAOYSA-N 2 1 298.540 3.859 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000638853742 1121286127 /nfs/dbraw/zinc/28/61/27/1121286127.db2.gz JAIAQYXFEYDVKH-BBRMVZONSA-N 2 1 296.405 3.660 20 0 CHADMP Cc1c2ccccc2oc1[C@@H](C)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000124339221 1121291346 /nfs/dbraw/zinc/29/13/46/1121291346.db2.gz JXXAMQFRBIJZRK-CABCVRRESA-N 2 1 298.430 3.876 20 0 CHADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000124339221 1121291355 /nfs/dbraw/zinc/29/13/55/1121291355.db2.gz JXXAMQFRBIJZRK-CABCVRRESA-N 2 1 298.430 3.876 20 0 CHADMP C[N@@H+]1CCC[C@H](C[NH2+]CC2(C)CC2)[C@@H]1c1cccs1 ZINC000562328517 1121316959 /nfs/dbraw/zinc/31/69/59/1121316959.db2.gz YIZKSFCHBMCWFP-UKRRQHHQSA-N 2 1 278.465 3.521 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+]CC2(C)CC2)[C@@H]1c1cccs1 ZINC000562328517 1121316967 /nfs/dbraw/zinc/31/69/67/1121316967.db2.gz YIZKSFCHBMCWFP-UKRRQHHQSA-N 2 1 278.465 3.521 20 0 CHADMP CC[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000675750196 1121349380 /nfs/dbraw/zinc/34/93/80/1121349380.db2.gz VAXUJECEYOQHCH-BBWFWOEESA-N 2 1 266.473 3.667 20 0 CHADMP C[C@H](CCC1CCCCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000675752201 1121350554 /nfs/dbraw/zinc/35/05/54/1121350554.db2.gz NPUUIHXLZYXMBA-NJAFHUGGSA-N 2 1 278.484 3.952 20 0 CHADMP c1ccc([C@H](CC2CC2)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000675751886 1121351632 /nfs/dbraw/zinc/35/16/32/1121351632.db2.gz BMFLZDOJCFBGEN-QRVBRYPASA-N 2 1 284.447 3.744 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000675816228 1121365920 /nfs/dbraw/zinc/36/59/20/1121365920.db2.gz BRHVXFMPSXCLIQ-JOCBIADPSA-N 2 1 291.483 3.878 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCCC2)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167916181 1121518479 /nfs/dbraw/zinc/51/84/79/1121518479.db2.gz GMTASEYHBODDOC-AKAMXIMMSA-N 2 1 290.495 3.937 20 0 CHADMP CCS[C@@H]1CC[C@H]([N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923315181 1121557314 /nfs/dbraw/zinc/55/73/14/1121557314.db2.gz QZYIQFDIMZUDCM-LDBYLJPUSA-N 2 1 296.524 3.513 20 0 CHADMP CCC[N@H+](C)C[C@H]1CCN(c2[nH+]ccc3ccc(C)cc32)C1 ZINC000645181604 1121608288 /nfs/dbraw/zinc/60/82/88/1121608288.db2.gz LZJUPZIFMXSCEI-MRXNPFEDSA-N 2 1 297.446 3.711 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CCN(c2[nH+]ccc3ccc(C)cc32)C1 ZINC000645181604 1121608289 /nfs/dbraw/zinc/60/82/89/1121608289.db2.gz LZJUPZIFMXSCEI-MRXNPFEDSA-N 2 1 297.446 3.711 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH2+]C(C1CCCC1)C1CCCC1 ZINC001176364408 1121614891 /nfs/dbraw/zinc/61/48/91/1121614891.db2.gz CRRFAQWBVBSNGG-KRWDZBQOSA-N 2 1 278.484 3.809 20 0 CHADMP C[N@@H+]1CCC[C@H](C[NH2+]C2CC(C)(C)C2)[C@H]1c1cccs1 ZINC000433267750 1121633077 /nfs/dbraw/zinc/63/30/77/1121633077.db2.gz HYZQUSVSYVODOX-CJNGLKHVSA-N 2 1 292.492 3.909 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+]C2CC(C)(C)C2)[C@H]1c1cccs1 ZINC000433267750 1121633080 /nfs/dbraw/zinc/63/30/80/1121633080.db2.gz HYZQUSVSYVODOX-CJNGLKHVSA-N 2 1 292.492 3.909 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CC[NH2+]C[C@@H](C)C3)cc2)cc1 ZINC001206277236 1121649167 /nfs/dbraw/zinc/64/91/67/1121649167.db2.gz PEMKDFFQFFRASV-QGZVFWFLSA-N 2 1 294.442 3.703 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3CC[NH2+]C[C@@H](C)C3)cc2)cc1 ZINC001206277236 1121649168 /nfs/dbraw/zinc/64/91/68/1121649168.db2.gz PEMKDFFQFFRASV-QGZVFWFLSA-N 2 1 294.442 3.703 20 0 CHADMP Cc1cc(Cl)cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000512971970 1121652608 /nfs/dbraw/zinc/65/26/08/1121652608.db2.gz OUYLBRVVKPZFJA-UHFFFAOYSA-N 2 1 292.854 3.709 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(C2CC2)cc1 ZINC000419347663 1121674316 /nfs/dbraw/zinc/67/43/16/1121674316.db2.gz XAYJGVCKIOCMJP-KSSFIOAISA-N 2 1 272.436 3.699 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(C2CC2)cc1 ZINC000419347662 1121674540 /nfs/dbraw/zinc/67/45/40/1121674540.db2.gz XAYJGVCKIOCMJP-KDOFPFPSSA-N 2 1 272.436 3.699 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCC(C)(C)C)[C@@H](C)C1 ZINC000469057307 1121697895 /nfs/dbraw/zinc/69/78/95/1121697895.db2.gz UAFPIDORCIKEAV-LSDHHAIUSA-N 2 1 254.462 3.523 20 0 CHADMP CC(C)CC[N@H+]1CCC[C@@H](c2cncn2C(C)(C)C)C1 ZINC001176985630 1121704380 /nfs/dbraw/zinc/70/43/80/1121704380.db2.gz WDKBCNOAXQJQNI-OAHLLOKOSA-N 2 1 277.456 3.864 20 0 CHADMP CC[N@@H+]1CCC[C@H]1CNCc1cccc(C2CCCC2)c1 ZINC001177066315 1121709145 /nfs/dbraw/zinc/70/91/45/1121709145.db2.gz SBUSALUBIJTQGA-IBGZPJMESA-N 2 1 286.463 3.918 20 0 CHADMP CC[N@H+]1CCC[C@H]1CNCc1cccc(C2CCCC2)c1 ZINC001177066315 1121709151 /nfs/dbraw/zinc/70/91/51/1121709151.db2.gz SBUSALUBIJTQGA-IBGZPJMESA-N 2 1 286.463 3.918 20 0 CHADMP C[C@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001177086977 1121711745 /nfs/dbraw/zinc/71/17/45/1121711745.db2.gz RBAAQSHXZSENSN-JKSUJKDBSA-N 2 1 266.473 3.809 20 0 CHADMP Cc1cc(C)c(/C=C\C[NH2+]C2CC[NH+](C3CC3)CC2)cc1C ZINC001177161908 1121716789 /nfs/dbraw/zinc/71/67/89/1121716789.db2.gz GWMDLCYCEJODLB-PLNGDYQASA-N 2 1 298.474 3.841 20 0 CHADMP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccoc2)CC1 ZINC000727466118 1121720585 /nfs/dbraw/zinc/72/05/85/1121720585.db2.gz WLUMGFHCJSWABE-UHFFFAOYSA-N 2 1 298.430 3.801 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]CC(C(C)C)C(C)C ZINC001178855692 1121821477 /nfs/dbraw/zinc/82/14/77/1121821477.db2.gz NZOHLAKMBQFCPM-HNNXBMFYSA-N 2 1 256.478 3.625 20 0 CHADMP CCC1CCC([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001178249386 1121772824 /nfs/dbraw/zinc/77/28/24/1121772824.db2.gz OKMDGZFWICSCKP-ADKAHSJRSA-N 2 1 280.500 3.913 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCC(C2CCC2)CC1 ZINC001178629678 1121801264 /nfs/dbraw/zinc/80/12/64/1121801264.db2.gz RWDJKWVXJXONBB-ODIFPOPNSA-N 2 1 266.473 3.665 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+]CC(C(C)C)C(C)C ZINC001178855692 1121821472 /nfs/dbraw/zinc/82/14/72/1121821472.db2.gz NZOHLAKMBQFCPM-HNNXBMFYSA-N 2 1 256.478 3.625 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000619772713 1129013133 /nfs/dbraw/zinc/01/31/33/1129013133.db2.gz YDJUIWWWRXDGLO-OAGGEKHMSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000619772713 1129013138 /nfs/dbraw/zinc/01/31/38/1129013138.db2.gz YDJUIWWWRXDGLO-OAGGEKHMSA-N 2 1 266.473 3.665 20 0 CHADMP CC[N@@H+](Cc1ccc2ccccc2c1)[C@H]1CCC[NH2+]CC1 ZINC000345181831 1121853556 /nfs/dbraw/zinc/85/35/56/1121853556.db2.gz ROLABSWQMWPHEX-IBGZPJMESA-N 2 1 282.431 3.804 20 0 CHADMP CC(C)C1CCC([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC001179259133 1121866674 /nfs/dbraw/zinc/86/66/74/1121866674.db2.gz RJPZVXHJQULHLI-VIQWUECVSA-N 2 1 292.511 3.913 20 0 CHADMP C=C/C=C/CC[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001179473331 1121883630 /nfs/dbraw/zinc/88/36/30/1121883630.db2.gz YIZDXNJUVDDBEQ-VOTSOKGWSA-N 2 1 286.463 3.867 20 0 CHADMP Cc1ccccc1[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647883928 1121895324 /nfs/dbraw/zinc/89/53/24/1121895324.db2.gz LDHFLWVCDWUZAG-GOSISDBHSA-N 2 1 286.463 3.564 20 0 CHADMP CCC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc(C)ccn1 ZINC000631651909 1129017532 /nfs/dbraw/zinc/01/75/32/1129017532.db2.gz NFHKKIXXXXEBGS-DLBZAZTESA-N 2 1 289.467 3.553 20 0 CHADMP CCC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(C)ccn1 ZINC000631651909 1129017536 /nfs/dbraw/zinc/01/75/36/1129017536.db2.gz NFHKKIXXXXEBGS-DLBZAZTESA-N 2 1 289.467 3.553 20 0 CHADMP CC(C)CCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001179924869 1121924316 /nfs/dbraw/zinc/92/43/16/1121924316.db2.gz KQBNWIOJSFRRLE-FUHWJXTLSA-N 2 1 278.484 3.761 20 0 CHADMP CC(C)CCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001179924869 1121924322 /nfs/dbraw/zinc/92/43/22/1121924322.db2.gz KQBNWIOJSFRRLE-FUHWJXTLSA-N 2 1 278.484 3.761 20 0 CHADMP CC(C)CCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001179924869 1121924329 /nfs/dbraw/zinc/92/43/29/1121924329.db2.gz KQBNWIOJSFRRLE-FUHWJXTLSA-N 2 1 278.484 3.761 20 0 CHADMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(F)c1 ZINC001180165791 1121960169 /nfs/dbraw/zinc/96/01/69/1121960169.db2.gz JMDHXTYMEPDFKV-UHFFFAOYSA-N 2 1 292.442 3.686 20 0 CHADMP C[C@H]1C[N@H+](Cc2ccccc2Oc2ccccc2)CC[C@H]1[NH3+] ZINC000420293680 1121993581 /nfs/dbraw/zinc/99/35/81/1121993581.db2.gz ROXGDTVKYWIGON-MAUKXSAKSA-N 2 1 296.414 3.648 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2Oc2ccccc2)CC[C@H]1[NH3+] ZINC000420293680 1121993585 /nfs/dbraw/zinc/99/35/85/1121993585.db2.gz ROXGDTVKYWIGON-MAUKXSAKSA-N 2 1 296.414 3.648 20 0 CHADMP Cc1ccc([C@@H]2CCCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420295203 1121994669 /nfs/dbraw/zinc/99/46/69/1121994669.db2.gz BWIQQNSKLVGAMH-WMZOPIPTSA-N 2 1 272.436 3.522 20 0 CHADMP c1ccc2c(c1)CCC[C@@H]2[N@@H+](CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000420298413 1121995328 /nfs/dbraw/zinc/99/53/28/1121995328.db2.gz FFWGMXFNJRGXMU-BEFAXECRSA-N 2 1 284.447 3.528 20 0 CHADMP Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)CC[C@H]2CC[NH2+]C2)cc1 ZINC000420295706 1121995478 /nfs/dbraw/zinc/99/54/78/1121995478.db2.gz CMDNSVYOKNZBBS-NEWSRXKRSA-N 2 1 286.463 3.563 20 0 CHADMP c1ccc2c(c1)CCC[C@H]2[N@@H+](CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000420298415 1121995776 /nfs/dbraw/zinc/99/57/76/1121995776.db2.gz FFWGMXFNJRGXMU-DNVCBOLYSA-N 2 1 284.447 3.528 20 0 CHADMP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420301068 1121997077 /nfs/dbraw/zinc/99/70/77/1121997077.db2.gz KZVVNZCKESFBSO-BHIYHBOVSA-N 2 1 286.463 3.644 20 0 CHADMP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420304469 1121997451 /nfs/dbraw/zinc/99/74/51/1121997451.db2.gz OOGSFZQAWHLIAN-RKVPGOIHSA-N 2 1 290.426 3.598 20 0 CHADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420315164 1122000255 /nfs/dbraw/zinc/00/02/55/1122000255.db2.gz ZWDVBGIRMMROCS-ZBFHGGJFSA-N 2 1 294.870 3.593 20 0 CHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCCF ZINC000284024891 1122029929 /nfs/dbraw/zinc/02/99/29/1122029929.db2.gz IARNOGFQQIJUIF-WMZOPIPTSA-N 2 1 292.442 3.626 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCCF ZINC000284024891 1122029934 /nfs/dbraw/zinc/02/99/34/1122029934.db2.gz IARNOGFQQIJUIF-WMZOPIPTSA-N 2 1 292.442 3.626 20 0 CHADMP Cc1cc([C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)oc1C ZINC000502724717 1122144006 /nfs/dbraw/zinc/14/40/06/1122144006.db2.gz FWEIBLAWPPSVOO-CJNGLKHVSA-N 2 1 280.456 3.913 20 0 CHADMP CC(C)C[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000503038406 1122163297 /nfs/dbraw/zinc/16/32/97/1122163297.db2.gz VLBLKRAORPMFLC-WMZOPIPTSA-N 2 1 274.452 3.533 20 0 CHADMP CC[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccccc1F ZINC000272494106 1122204956 /nfs/dbraw/zinc/20/49/56/1122204956.db2.gz UUEUKFOKOVMPOW-SFHVURJKSA-N 2 1 290.426 3.883 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000272600006 1122206999 /nfs/dbraw/zinc/20/69/99/1122206999.db2.gz XRPFRIZNUPVOAM-GOSISDBHSA-N 2 1 299.393 3.556 20 0 CHADMP Cc1cc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)c(C)o1 ZINC000273323403 1122227960 /nfs/dbraw/zinc/22/79/60/1122227960.db2.gz RLPUKHKXHIVIPF-ZDUSSCGKSA-N 2 1 275.396 3.532 20 0 CHADMP CC[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414681637 1122265393 /nfs/dbraw/zinc/26/53/93/1122265393.db2.gz WGGUZMWWRBMZMQ-HIFRSBDPSA-N 2 1 280.843 3.550 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@H](C)c3c2cccc3C)C1 ZINC000504895197 1122309898 /nfs/dbraw/zinc/30/98/98/1122309898.db2.gz RMHDKDKTGVHYFW-JZXOWHBKSA-N 2 1 286.463 3.865 20 0 CHADMP CCC[C@H](C)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000435056926 1122431352 /nfs/dbraw/zinc/43/13/52/1122431352.db2.gz JBAMPKDDHHUTMG-HNNXBMFYSA-N 2 1 289.467 3.835 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+](CC2CCSCC2)CC1 ZINC000637906306 1129235510 /nfs/dbraw/zinc/23/55/10/1129235510.db2.gz UUVMJAISLAIMEM-UHFFFAOYSA-N 2 1 298.540 3.574 20 0 CHADMP CCC[N@H+](CC)CC[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000514817967 1122456416 /nfs/dbraw/zinc/45/64/16/1122456416.db2.gz LELNZLFUHNQTIL-UHFFFAOYSA-N 2 1 296.405 3.532 20 0 CHADMP CCC[N@@H+](CC)CC[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000514817967 1122456420 /nfs/dbraw/zinc/45/64/20/1122456420.db2.gz LELNZLFUHNQTIL-UHFFFAOYSA-N 2 1 296.405 3.532 20 0 CHADMP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(F)ccc1F ZINC000515410618 1122496990 /nfs/dbraw/zinc/49/69/90/1122496990.db2.gz DCFZLGHLPHBQJK-DYVFJYSZSA-N 2 1 296.405 3.593 20 0 CHADMP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(F)ccc1F ZINC000515410618 1122496996 /nfs/dbraw/zinc/49/69/96/1122496996.db2.gz DCFZLGHLPHBQJK-DYVFJYSZSA-N 2 1 296.405 3.593 20 0 CHADMP c1ccc(C2=CCC[N@@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000515407496 1122497307 /nfs/dbraw/zinc/49/73/07/1122497307.db2.gz URSOYXAJVKSBKF-UHFFFAOYSA-N 2 1 284.447 3.652 20 0 CHADMP c1ccc(C2=CCC[N@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000515407496 1122497309 /nfs/dbraw/zinc/49/73/09/1122497309.db2.gz URSOYXAJVKSBKF-UHFFFAOYSA-N 2 1 284.447 3.652 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)[C@@H](C)CC)CC1 ZINC001190405893 1122536742 /nfs/dbraw/zinc/53/67/42/1122536742.db2.gz CQSNPHWMHWRDER-HOTGVXAUSA-N 2 1 268.489 3.865 20 0 CHADMP CC[C@H](C)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001190652315 1122550383 /nfs/dbraw/zinc/55/03/83/1122550383.db2.gz ZOHACQNJSADUPV-KSZLIROESA-N 2 1 280.500 3.865 20 0 CHADMP CCCCC[C@@H]([NH2+]C1CC[NH+](C)CC1)C(C)(C)C ZINC000121384672 1122553623 /nfs/dbraw/zinc/55/36/23/1122553623.db2.gz YKFKDISSSSVLNB-OAHLLOKOSA-N 2 1 254.462 3.665 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1csc2ccccc12 ZINC000925011494 1122577548 /nfs/dbraw/zinc/57/75/48/1122577548.db2.gz QJLOHXYUSBFZAZ-KGLIPLIRSA-N 2 1 288.460 3.894 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](C)C2CCCCC2)C1 ZINC001191260068 1122585807 /nfs/dbraw/zinc/58/58/07/1122585807.db2.gz ZCZAUMDDVDZVOI-DLBZAZTESA-N 2 1 280.500 3.867 20 0 CHADMP Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1C ZINC001167961316 1122588242 /nfs/dbraw/zinc/58/82/42/1122588242.db2.gz HYCYFBBDWCSNNQ-IHWFROFDSA-N 2 1 298.474 3.798 20 0 CHADMP c1ccc(C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)C2)cc1 ZINC000438085863 1122675134 /nfs/dbraw/zinc/67/51/34/1122675134.db2.gz QMYWAEMKSMWFQZ-HAGHYFMRSA-N 2 1 298.474 3.614 20 0 CHADMP c1ccc(C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)C2)cc1 ZINC000438085863 1122675135 /nfs/dbraw/zinc/67/51/35/1122675135.db2.gz QMYWAEMKSMWFQZ-HAGHYFMRSA-N 2 1 298.474 3.614 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)c2ccc(F)cc2)C[C@H]1C ZINC000438103277 1122678380 /nfs/dbraw/zinc/67/83/80/1122678380.db2.gz TZNLOCHQFTTWIN-DAYGRLMNSA-N 2 1 292.442 3.734 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)c2ccc(F)cc2)C[C@H]1C ZINC000438103277 1122678382 /nfs/dbraw/zinc/67/83/82/1122678382.db2.gz TZNLOCHQFTTWIN-DAYGRLMNSA-N 2 1 292.442 3.734 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)c2ccc(F)cc2)C[C@H]1C ZINC000438103277 1122678383 /nfs/dbraw/zinc/67/83/83/1122678383.db2.gz TZNLOCHQFTTWIN-DAYGRLMNSA-N 2 1 292.442 3.734 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]CCC(C)(C)C)c1 ZINC000438179119 1122684386 /nfs/dbraw/zinc/68/43/86/1122684386.db2.gz QOZDCXRABBEBHA-UHFFFAOYSA-N 2 1 262.441 3.664 20 0 CHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCC1CCCCC1)C2 ZINC001194519501 1122779540 /nfs/dbraw/zinc/77/95/40/1122779540.db2.gz OUUCVRFQYIQEPZ-GOSISDBHSA-N 2 1 278.484 3.765 20 0 CHADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCCC1CCCCC1)C2 ZINC001194519501 1122779541 /nfs/dbraw/zinc/77/95/41/1122779541.db2.gz OUUCVRFQYIQEPZ-GOSISDBHSA-N 2 1 278.484 3.765 20 0 CHADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccncc1 ZINC001167968329 1122849425 /nfs/dbraw/zinc/84/94/25/1122849425.db2.gz PJIFBJVMOMSISN-XVLXNVKGSA-N 2 1 299.462 3.528 20 0 CHADMP C[C@@H](CC[NH2+]Cc1nccc2ccccc21)[NH+]1CCCCC1 ZINC000894446998 1122855172 /nfs/dbraw/zinc/85/51/72/1122855172.db2.gz WHFWUHAYESWUEL-INIZCTEOSA-N 2 1 297.446 3.589 20 0 CHADMP CC1(C)CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167969801 1122860765 /nfs/dbraw/zinc/86/07/65/1122860765.db2.gz DTXSSDDMJHYAOL-NPYXIHBLSA-N 2 1 276.468 3.560 20 0 CHADMP Cc1ccc(C)c(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC001196683035 1122929084 /nfs/dbraw/zinc/92/90/84/1122929084.db2.gz BKUADQPJYCRSRF-UHFFFAOYSA-N 2 1 286.463 3.754 20 0 CHADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cc(C)ccc1C ZINC001196944216 1122940921 /nfs/dbraw/zinc/94/09/21/1122940921.db2.gz UHOSXHKWNRHMFV-AEFFLSMTSA-N 2 1 274.452 3.828 20 0 CHADMP C[C@]1(F)CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167985074 1122945256 /nfs/dbraw/zinc/94/52/56/1122945256.db2.gz UKLBPGWGWTWFDW-WFFDWFOESA-N 2 1 294.458 3.606 20 0 CHADMP C[C@]1(F)CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167985074 1122945259 /nfs/dbraw/zinc/94/52/59/1122945259.db2.gz UKLBPGWGWTWFDW-WFFDWFOESA-N 2 1 294.458 3.606 20 0 CHADMP C[C@]1(F)CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167985074 1122945263 /nfs/dbraw/zinc/94/52/63/1122945263.db2.gz UKLBPGWGWTWFDW-WFFDWFOESA-N 2 1 294.458 3.606 20 0 CHADMP c1ccc(-c2cccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)c2)cc1 ZINC000427109798 1122945387 /nfs/dbraw/zinc/94/53/87/1122945387.db2.gz RZSALAPFMASQGM-VQTJNVASSA-N 2 1 292.426 3.537 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](C2CCC2)CC1 ZINC001197202013 1122948202 /nfs/dbraw/zinc/94/82/02/1122948202.db2.gz KGQPAJUWPQDBOX-GOSISDBHSA-N 2 1 289.467 3.874 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC001197202013 1122948205 /nfs/dbraw/zinc/94/82/05/1122948205.db2.gz KGQPAJUWPQDBOX-GOSISDBHSA-N 2 1 289.467 3.874 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)CCc2ccccc2Cl)CC1 ZINC000507345648 1122949208 /nfs/dbraw/zinc/94/92/08/1122949208.db2.gz CUDZVOZJCSAVKW-UHFFFAOYSA-N 2 1 294.870 3.687 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000267519487 1129088645 /nfs/dbraw/zinc/08/86/45/1129088645.db2.gz NCVBSEXDRPTUKA-MAUKXSAKSA-N 2 1 272.436 3.572 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000267519487 1129088650 /nfs/dbraw/zinc/08/86/50/1129088650.db2.gz NCVBSEXDRPTUKA-MAUKXSAKSA-N 2 1 272.436 3.572 20 0 CHADMP CCc1cccnc1[C@@H](C)NCCC[N@H+]1CCCC[C@H]1C ZINC000507483295 1122959676 /nfs/dbraw/zinc/95/96/76/1122959676.db2.gz GZDHMWFDEJMDKD-HZPDHXFCSA-N 2 1 289.467 3.559 20 0 CHADMP CCc1cccnc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000507483295 1122959679 /nfs/dbraw/zinc/95/96/79/1122959679.db2.gz GZDHMWFDEJMDKD-HZPDHXFCSA-N 2 1 289.467 3.559 20 0 CHADMP CCc1cccnc1[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000507483295 1122959683 /nfs/dbraw/zinc/95/96/83/1122959683.db2.gz GZDHMWFDEJMDKD-HZPDHXFCSA-N 2 1 289.467 3.559 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)C[C@H](C)CC(C)C ZINC000507517618 1122960550 /nfs/dbraw/zinc/96/05/50/1122960550.db2.gz YQXNNHOJDRCIAP-BZUAXINKSA-N 2 1 279.472 3.878 20 0 CHADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@H]1c1ccccc1 ZINC001197658232 1122963884 /nfs/dbraw/zinc/96/38/84/1122963884.db2.gz FAZRKSPXGRZRPN-BPQIPLTHSA-N 2 1 272.436 3.554 20 0 CHADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@H]1c1ccccc1 ZINC001197658232 1122963888 /nfs/dbraw/zinc/96/38/88/1122963888.db2.gz FAZRKSPXGRZRPN-BPQIPLTHSA-N 2 1 272.436 3.554 20 0 CHADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)[C@H]1c1ccccc1 ZINC001197658232 1122963890 /nfs/dbraw/zinc/96/38/90/1122963890.db2.gz FAZRKSPXGRZRPN-BPQIPLTHSA-N 2 1 272.436 3.554 20 0 CHADMP Cc1ccc([C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C2CCC2)cc1 ZINC000427525792 1122988161 /nfs/dbraw/zinc/98/81/61/1122988161.db2.gz AJJLZUQGYUVGNQ-LJQANCHMSA-N 2 1 284.447 3.688 20 0 CHADMP CC[C@H](F)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000440715868 1123034405 /nfs/dbraw/zinc/03/44/05/1123034405.db2.gz RFGKKDFITVHXOA-SFHVURJKSA-N 2 1 292.442 3.579 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](c2ccccc2C)C[C@H]1C ZINC000441327988 1123078630 /nfs/dbraw/zinc/07/86/30/1123078630.db2.gz AJXHZJAZQKYCPW-SJLPKXTDSA-N 2 1 297.446 3.768 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](c2ccccc2C)C[C@H]1C ZINC000441327988 1123078635 /nfs/dbraw/zinc/07/86/35/1123078635.db2.gz AJXHZJAZQKYCPW-SJLPKXTDSA-N 2 1 297.446 3.768 20 0 CHADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC001205915235 1123083184 /nfs/dbraw/zinc/08/31/84/1123083184.db2.gz OXIFHRMDRZMHKQ-KSSFIOAISA-N 2 1 272.436 3.513 20 0 CHADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC(N1CCC[C@H]3CCC[C@@H]31)C2 ZINC001167994826 1123102718 /nfs/dbraw/zinc/10/27/18/1123102718.db2.gz QNTRPFVAYLGBFZ-BBCBXFPWSA-N 2 1 288.479 3.656 20 0 CHADMP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCC[C@H]3CCC[C@@H]31)C2 ZINC001167994826 1123102719 /nfs/dbraw/zinc/10/27/19/1123102719.db2.gz QNTRPFVAYLGBFZ-BBCBXFPWSA-N 2 1 288.479 3.656 20 0 CHADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCC[C@H]3CCC[C@@H]31)C2 ZINC001167994826 1123102721 /nfs/dbraw/zinc/10/27/21/1123102721.db2.gz QNTRPFVAYLGBFZ-BBCBXFPWSA-N 2 1 288.479 3.656 20 0 CHADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@@H+]1CCC[C@H]3CCC[C@@H]31)C2 ZINC001167994826 1123102722 /nfs/dbraw/zinc/10/27/22/1123102722.db2.gz QNTRPFVAYLGBFZ-BBCBXFPWSA-N 2 1 288.479 3.656 20 0 CHADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@H+]1CCC[C@H]3CCC[C@@H]31)C2 ZINC001167994826 1123102724 /nfs/dbraw/zinc/10/27/24/1123102724.db2.gz QNTRPFVAYLGBFZ-BBCBXFPWSA-N 2 1 288.479 3.656 20 0 CHADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC(N1CCC[C@@H]3CCC[C@@H]31)C2 ZINC001167994828 1123103260 /nfs/dbraw/zinc/10/32/60/1123103260.db2.gz QNTRPFVAYLGBFZ-FSGLHJGXSA-N 2 1 288.479 3.656 20 0 CHADMP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCC[C@@H]3CCC[C@@H]31)C2 ZINC001167994828 1123103262 /nfs/dbraw/zinc/10/32/62/1123103262.db2.gz QNTRPFVAYLGBFZ-FSGLHJGXSA-N 2 1 288.479 3.656 20 0 CHADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCC[C@@H]3CCC[C@@H]31)C2 ZINC001167994828 1123103264 /nfs/dbraw/zinc/10/32/64/1123103264.db2.gz QNTRPFVAYLGBFZ-FSGLHJGXSA-N 2 1 288.479 3.656 20 0 CHADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@@H+]1CCC[C@@H]3CCC[C@@H]31)C2 ZINC001167994828 1123103267 /nfs/dbraw/zinc/10/32/67/1123103267.db2.gz QNTRPFVAYLGBFZ-FSGLHJGXSA-N 2 1 288.479 3.656 20 0 CHADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@H+]1CCC[C@@H]3CCC[C@@H]31)C2 ZINC001167994828 1123103269 /nfs/dbraw/zinc/10/32/69/1123103269.db2.gz QNTRPFVAYLGBFZ-FSGLHJGXSA-N 2 1 288.479 3.656 20 0 CHADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976872 1123103325 /nfs/dbraw/zinc/10/33/25/1123103325.db2.gz VOEXIEGPYRTSFP-DJIMGWMZSA-N 2 1 290.426 3.598 20 0 CHADMP CC(C)=CCC[C@H](C)C[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001201486623 1123107702 /nfs/dbraw/zinc/10/77/02/1123107702.db2.gz LBZIMSMUKZLZBL-KRWDZBQOSA-N 2 1 290.495 3.787 20 0 CHADMP CC(C)=CCC[C@H](C)C[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001201486623 1123107705 /nfs/dbraw/zinc/10/77/05/1123107705.db2.gz LBZIMSMUKZLZBL-KRWDZBQOSA-N 2 1 290.495 3.787 20 0 CHADMP CCC[C@@H](C)C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001201550293 1123117818 /nfs/dbraw/zinc/11/78/18/1123117818.db2.gz IEXKBTYYXHEHEA-IAGOWNOFSA-N 2 1 266.473 3.763 20 0 CHADMP CC[C@H](C)C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001201516425 1123120625 /nfs/dbraw/zinc/12/06/25/1123120625.db2.gz YBUMNDXKYHDWFD-KRWDZBQOSA-N 2 1 288.479 3.877 20 0 CHADMP CC[C@@H](C)C[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001201521628 1123121492 /nfs/dbraw/zinc/12/14/92/1123121492.db2.gz WNVNEOPSJLVIRH-OAHLLOKOSA-N 2 1 266.473 3.761 20 0 CHADMP c1ccc(CC[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)cc1 ZINC001201597335 1123123112 /nfs/dbraw/zinc/12/31/12/1123123112.db2.gz WJXRGPMUMBSKTB-UHFFFAOYSA-N 2 1 298.474 3.570 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C)c(F)c1 ZINC001201715665 1123140209 /nfs/dbraw/zinc/14/02/09/1123140209.db2.gz ZSZMLIHLOYWAFM-SOLBZPMBSA-N 2 1 290.426 3.802 20 0 CHADMP CCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001201725983 1123141767 /nfs/dbraw/zinc/14/17/67/1123141767.db2.gz BFOCFTCOOUVFPG-KDURUIRLSA-N 2 1 286.463 3.549 20 0 CHADMP CCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001201725983 1123141769 /nfs/dbraw/zinc/14/17/69/1123141769.db2.gz BFOCFTCOOUVFPG-KDURUIRLSA-N 2 1 286.463 3.549 20 0 CHADMP CCCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001201725983 1123141770 /nfs/dbraw/zinc/14/17/70/1123141770.db2.gz BFOCFTCOOUVFPG-KDURUIRLSA-N 2 1 286.463 3.549 20 0 CHADMP CC[C@@H](C)Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001168000870 1123150467 /nfs/dbraw/zinc/15/04/67/1123150467.db2.gz YWSVWRHZBDOWNE-UKRRQHHQSA-N 2 1 286.423 3.561 20 0 CHADMP CC[N@@H+]1C[C@@H]2C[NH+](CC[C@@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001201993917 1123168125 /nfs/dbraw/zinc/16/81/25/1123168125.db2.gz HCFHLDKOQVEYQJ-OKZBNKHCSA-N 2 1 278.484 3.643 20 0 CHADMP CC[NH+]1C[C@@H]2C[N@@H+](CC[C@@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001201993917 1123168127 /nfs/dbraw/zinc/16/81/27/1123168127.db2.gz HCFHLDKOQVEYQJ-OKZBNKHCSA-N 2 1 278.484 3.643 20 0 CHADMP CC[NH+]1C[C@@H]2C[N@H+](CC[C@@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001201993917 1123168129 /nfs/dbraw/zinc/16/81/29/1123168129.db2.gz HCFHLDKOQVEYQJ-OKZBNKHCSA-N 2 1 278.484 3.643 20 0 CHADMP CCC(C)(C)c1ccc(C[N@@H+]2CCCC[C@@H]([NH3+])C2)cc1 ZINC001205932040 1123172793 /nfs/dbraw/zinc/17/27/93/1123172793.db2.gz NZZMWUILBJSSSU-QGZVFWFLSA-N 2 1 274.452 3.687 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CCCC[C@@H]([NH3+])C2)cc1 ZINC001205932040 1123172795 /nfs/dbraw/zinc/17/27/95/1123172795.db2.gz NZZMWUILBJSSSU-QGZVFWFLSA-N 2 1 274.452 3.687 20 0 CHADMP CC1(C)CC[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000520580657 1123178218 /nfs/dbraw/zinc/17/82/18/1123178218.db2.gz FTFJJFUCFYYXFI-ZWKOTPCHSA-N 2 1 298.474 3.962 20 0 CHADMP CC1(C)CC[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000520580657 1123178220 /nfs/dbraw/zinc/17/82/20/1123178220.db2.gz FTFJJFUCFYYXFI-ZWKOTPCHSA-N 2 1 298.474 3.962 20 0 CHADMP CCCCCC[C@H]1CCC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000776266349 1123194747 /nfs/dbraw/zinc/19/47/47/1123194747.db2.gz UBFFBVSIUZCIIJ-DOTOQJQBSA-N 2 1 277.456 3.691 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C(C)(C)C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168006982 1123208645 /nfs/dbraw/zinc/20/86/45/1123208645.db2.gz QASFLHOUJDINCG-SCAQPMJSSA-N 2 1 274.452 3.816 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C(C)(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168006982 1123208648 /nfs/dbraw/zinc/20/86/48/1123208648.db2.gz QASFLHOUJDINCG-SCAQPMJSSA-N 2 1 274.452 3.816 20 0 CHADMP C[NH+]1CCC(C[N@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)CC1 ZINC000895125065 1123228458 /nfs/dbraw/zinc/22/84/58/1123228458.db2.gz JWXPBMHCDAGSHP-IBGZPJMESA-N 2 1 296.458 3.722 20 0 CHADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000665248855 1123259929 /nfs/dbraw/zinc/25/99/29/1123259929.db2.gz DQIAFUNDZOFOPL-NSHDSACASA-N 2 1 286.341 3.628 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCC12CCCC2 ZINC000474031308 1123304058 /nfs/dbraw/zinc/30/40/58/1123304058.db2.gz IHHLPERERZQQID-HOTGVXAUSA-N 2 1 264.457 3.563 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(-c3ccccc3)cs2)CC1 ZINC000271914786 1129116432 /nfs/dbraw/zinc/11/64/32/1129116432.db2.gz SOSWUEWZOVAYIM-UHFFFAOYSA-N 2 1 298.455 3.767 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2C(C)=CCC[C@H]2C)CC1 ZINC000443415779 1123395999 /nfs/dbraw/zinc/39/59/99/1123395999.db2.gz LYJJIBMZIOGICH-SJLPKXTDSA-N 2 1 278.484 3.785 20 0 CHADMP C[C@@H](CSC(C)(C)C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853239641 1123428891 /nfs/dbraw/zinc/42/88/91/1123428891.db2.gz ITIVZORDYWKPIR-GOEBONIOSA-N 2 1 298.540 3.618 20 0 CHADMP CCCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853240654 1123429008 /nfs/dbraw/zinc/42/90/08/1123429008.db2.gz QEEPQUVBPBXUOU-WBVHZDCISA-N 2 1 266.473 3.667 20 0 CHADMP C[C@@H](CSC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853239645 1123429106 /nfs/dbraw/zinc/42/91/06/1123429106.db2.gz ITIVZORDYWKPIR-HOCLYGCPSA-N 2 1 298.540 3.618 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000353241780 1123442606 /nfs/dbraw/zinc/44/26/06/1123442606.db2.gz GKQYGOPEDFKCMZ-CYBMUJFWSA-N 2 1 276.415 3.520 20 0 CHADMP CCC(CC)(CC)C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000395171168 1123465203 /nfs/dbraw/zinc/46/52/03/1123465203.db2.gz CZSDOWFGPNNUEU-HNNXBMFYSA-N 2 1 254.462 3.523 20 0 CHADMP CC(C)[C@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000474151247 1123471472 /nfs/dbraw/zinc/47/14/72/1123471472.db2.gz DKUAAXURSGKIHD-MJGOQNOKSA-N 2 1 288.479 3.700 20 0 CHADMP CC(C)[C@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000474151247 1123471475 /nfs/dbraw/zinc/47/14/75/1123471475.db2.gz DKUAAXURSGKIHD-MJGOQNOKSA-N 2 1 288.479 3.700 20 0 CHADMP CC(C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000052420899 1123482411 /nfs/dbraw/zinc/48/24/11/1123482411.db2.gz ZTXADSQAHLPVNA-IYBDPMFKSA-N 2 1 274.452 3.663 20 0 CHADMP CC(C)[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000474281875 1123499751 /nfs/dbraw/zinc/49/97/51/1123499751.db2.gz FTRHUJRXGPZWML-QRQLOZEOSA-N 2 1 288.479 3.841 20 0 CHADMP CC(C)[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000474281875 1123499752 /nfs/dbraw/zinc/49/97/52/1123499752.db2.gz FTRHUJRXGPZWML-QRQLOZEOSA-N 2 1 288.479 3.841 20 0 CHADMP CC(C)[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000474281875 1123499754 /nfs/dbraw/zinc/49/97/54/1123499754.db2.gz FTRHUJRXGPZWML-QRQLOZEOSA-N 2 1 288.479 3.841 20 0 CHADMP CC(C)[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000474281875 1123499756 /nfs/dbraw/zinc/49/97/56/1123499756.db2.gz FTRHUJRXGPZWML-QRQLOZEOSA-N 2 1 288.479 3.841 20 0 CHADMP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(C)s2)CC1 ZINC000895827056 1123517349 /nfs/dbraw/zinc/51/73/49/1123517349.db2.gz BVBXDEJXXGMNDP-UHFFFAOYSA-N 2 1 278.465 3.507 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000474456770 1123533135 /nfs/dbraw/zinc/53/31/35/1123533135.db2.gz GAUBBBYXPYHDPW-BZUAXINKSA-N 2 1 292.467 3.507 20 0 CHADMP CC(C)C1CCC([NH2+]CC2([NH+](C)C)CCCC2)CC1 ZINC000097602878 1123550395 /nfs/dbraw/zinc/55/03/95/1123550395.db2.gz AIILXULCRORMBW-UHFFFAOYSA-N 2 1 266.473 3.665 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]CCCC(C)(F)F)C[C@@H]1c1ccccc1 ZINC000453234343 1123562600 /nfs/dbraw/zinc/56/26/00/1123562600.db2.gz KOGOMSRZOIULBC-JKSUJKDBSA-N 2 1 296.405 3.847 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CCCC(C)(F)F)C[C@@H]1c1ccccc1 ZINC000453234343 1123562604 /nfs/dbraw/zinc/56/26/04/1123562604.db2.gz KOGOMSRZOIULBC-JKSUJKDBSA-N 2 1 296.405 3.847 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000474814857 1123593021 /nfs/dbraw/zinc/59/30/21/1123593021.db2.gz GZPJXSMEFBIABO-IRXDYDNUSA-N 2 1 277.456 3.776 20 0 CHADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)C1CCSCC1 ZINC000474868044 1123605635 /nfs/dbraw/zinc/60/56/35/1123605635.db2.gz KBEPXNRXDPQJRS-WBVHZDCISA-N 2 1 298.540 3.618 20 0 CHADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)C1CCSCC1 ZINC000474868044 1123605642 /nfs/dbraw/zinc/60/56/42/1123605642.db2.gz KBEPXNRXDPQJRS-WBVHZDCISA-N 2 1 298.540 3.618 20 0 CHADMP C[C@@H](C[NH2+]C(C)(C)C[NH+]1CCCC1)C1CCCCC1 ZINC000308612158 1123646145 /nfs/dbraw/zinc/64/61/45/1123646145.db2.gz AKCMBTRRVCMIGU-HNNXBMFYSA-N 2 1 266.473 3.667 20 0 CHADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(C)c(C)c(C)c(C)c2C)C1 ZINC001205009281 1123647379 /nfs/dbraw/zinc/64/73/79/1123647379.db2.gz MEYFBRFUHIIYMF-SFHVURJKSA-N 2 1 288.479 3.660 20 0 CHADMP Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000858491628 1123657617 /nfs/dbraw/zinc/65/76/17/1123657617.db2.gz MDBWVIAOXBTRCG-GJZGRUSLSA-N 2 1 278.415 3.517 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000346269100 1123677308 /nfs/dbraw/zinc/67/73/08/1123677308.db2.gz BUWHWYHUIKVNBZ-SFHVURJKSA-N 2 1 283.419 3.713 20 0 CHADMP Cc1nccn1CC[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000346304189 1123678718 /nfs/dbraw/zinc/67/87/18/1123678718.db2.gz HAILTCFMOKXUGK-GOSISDBHSA-N 2 1 283.419 3.809 20 0 CHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCSC(C)(C)C)cc1 ZINC000859212079 1123690073 /nfs/dbraw/zinc/69/00/73/1123690073.db2.gz DNNMVGHCKNCJFQ-UHFFFAOYSA-N 2 1 294.508 3.712 20 0 CHADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)cs2)C1 ZINC000346650554 1123701168 /nfs/dbraw/zinc/70/11/68/1123701168.db2.gz PQBKCOCVGWCLMW-UKRRQHHQSA-N 2 1 286.444 3.584 20 0 CHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(-c4ccccc4)cs3)C[C@H]12 ZINC000346826977 1123724011 /nfs/dbraw/zinc/72/40/11/1123724011.db2.gz FMBMURKANLASKO-JCGIZDLHSA-N 2 1 298.455 3.584 20 0 CHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(-c4ccccc4)cs3)C[C@H]12 ZINC000346826973 1123724280 /nfs/dbraw/zinc/72/42/80/1123724280.db2.gz FMBMURKANLASKO-FHLIZLRMSA-N 2 1 298.455 3.584 20 0 CHADMP CCC[N@@H+](Cc1c(C)oc2ccccc21)C1CC[NH2+]CC1 ZINC000347015683 1123742070 /nfs/dbraw/zinc/74/20/70/1123742070.db2.gz YTKBWZQWPIYOGA-UHFFFAOYSA-N 2 1 286.419 3.705 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)s1 ZINC000042290396 1123782921 /nfs/dbraw/zinc/78/29/21/1123782921.db2.gz KHWWLYYQSXTRRC-CYBMUJFWSA-N 2 1 280.481 3.834 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@H+](C)[C@H]1CCC[NH2+]C1 ZINC000251532279 1123788838 /nfs/dbraw/zinc/78/88/38/1123788838.db2.gz MXSTYOIKVOSIFY-ZBFHGGJFSA-N 2 1 268.404 3.585 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@@H+](C)[C@H]1CCC[NH2+]C1 ZINC000251532279 1123788841 /nfs/dbraw/zinc/78/88/41/1123788841.db2.gz MXSTYOIKVOSIFY-ZBFHGGJFSA-N 2 1 268.404 3.585 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000475352436 1123848133 /nfs/dbraw/zinc/84/81/33/1123848133.db2.gz NTTXWFWFFDOJAJ-NXHRZFHOSA-N 2 1 274.452 3.643 20 0 CHADMP C[NH+](C)[C@@H](CNc1cc[nH+]c2ccsc21)c1ccco1 ZINC000301338157 1123892575 /nfs/dbraw/zinc/89/25/75/1123892575.db2.gz DXJBDOKNNCLRTN-ZDUSSCGKSA-N 2 1 287.388 3.604 20 0 CHADMP Cc1cc(NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000302428282 1123968418 /nfs/dbraw/zinc/96/84/18/1123968418.db2.gz KJZYZQQGRQDKPX-IBGZPJMESA-N 2 1 295.430 3.713 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCc3ccc(F)cc32)[C@H](C)C1 ZINC000475498610 1123994815 /nfs/dbraw/zinc/99/48/15/1123994815.db2.gz ZWMORQOAPYWTCB-XWIAVFTESA-N 2 1 290.426 3.523 20 0 CHADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(C(F)F)cc3)C2)CC1 ZINC000639757833 1124014716 /nfs/dbraw/zinc/01/47/16/1124014716.db2.gz PUTSSRWHXLXWHB-UHFFFAOYSA-N 2 1 294.389 3.542 20 0 CHADMP CC(C)c1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000475578726 1124017909 /nfs/dbraw/zinc/01/79/09/1124017909.db2.gz CFSCCUHEJQIMKP-UHFFFAOYSA-N 2 1 286.463 3.917 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758259 1124020518 /nfs/dbraw/zinc/02/05/18/1124020518.db2.gz RVFYXZKOVAAQTK-QGZVFWFLSA-N 2 1 290.426 3.695 20 0 CHADMP CCC[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cc(C)ccn1 ZINC000866281197 1124047489 /nfs/dbraw/zinc/04/74/89/1124047489.db2.gz FWKJWIOEDWPDLP-ULQDDVLXSA-N 2 1 289.467 3.694 20 0 CHADMP CCc1ccccc1C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000445817113 1124102783 /nfs/dbraw/zinc/10/27/83/1124102783.db2.gz BRHFZWRPULQDQK-QAPCUYQASA-N 2 1 274.452 3.554 20 0 CHADMP CCc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000445817113 1124102784 /nfs/dbraw/zinc/10/27/84/1124102784.db2.gz BRHFZWRPULQDQK-QAPCUYQASA-N 2 1 274.452 3.554 20 0 CHADMP CCc1ccccc1C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000445817113 1124102785 /nfs/dbraw/zinc/10/27/85/1124102785.db2.gz BRHFZWRPULQDQK-QAPCUYQASA-N 2 1 274.452 3.554 20 0 CHADMP C[N@H+](C/C=C\c1ccc(Cl)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000508568621 1124115589 /nfs/dbraw/zinc/11/55/89/1124115589.db2.gz KWFHHMHNTFYKSM-IMMZDGJCSA-N 2 1 292.854 3.627 20 0 CHADMP C[N@@H+](C/C=C\c1ccc(Cl)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000508568621 1124115590 /nfs/dbraw/zinc/11/55/90/1124115590.db2.gz KWFHHMHNTFYKSM-IMMZDGJCSA-N 2 1 292.854 3.627 20 0 CHADMP C[NH+](C/C=C\c1ccc(Cl)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000508568621 1124115592 /nfs/dbraw/zinc/11/55/92/1124115592.db2.gz KWFHHMHNTFYKSM-IMMZDGJCSA-N 2 1 292.854 3.627 20 0 CHADMP C[NH+](C/C=C\c1ccc(Cl)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000508568621 1124115594 /nfs/dbraw/zinc/11/55/94/1124115594.db2.gz KWFHHMHNTFYKSM-IMMZDGJCSA-N 2 1 292.854 3.627 20 0 CHADMP Cc1ccc(C)c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000525274698 1124121587 /nfs/dbraw/zinc/12/15/87/1124121587.db2.gz WYHODGJJXSLQHR-SFHVURJKSA-N 2 1 286.463 3.611 20 0 CHADMP CC(C)[C@@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccccc21 ZINC000447575284 1124496302 /nfs/dbraw/zinc/49/63/02/1124496302.db2.gz RNZUTTQWCVTYSV-RBUKOAKNSA-N 2 1 284.447 3.723 20 0 CHADMP CC1(C)C[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447580040 1124498144 /nfs/dbraw/zinc/49/81/44/1124498144.db2.gz MWBWTDDHNXAAKP-OKYOBFRVSA-N 2 1 298.474 3.818 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3ccoc32)[C@H](C)C1 ZINC000449027084 1124635139 /nfs/dbraw/zinc/63/51/39/1124635139.db2.gz HCKQRLRQZMQEHX-RHSMWYFYSA-N 2 1 286.419 3.595 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3ccoc32)[C@H](C)C1 ZINC000449027084 1124635140 /nfs/dbraw/zinc/63/51/40/1124635140.db2.gz HCKQRLRQZMQEHX-RHSMWYFYSA-N 2 1 286.419 3.595 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3ccoc32)[C@H](C)C1 ZINC000449027084 1124635142 /nfs/dbraw/zinc/63/51/42/1124635142.db2.gz HCKQRLRQZMQEHX-RHSMWYFYSA-N 2 1 286.419 3.595 20 0 CHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCC23CCC3)C1 ZINC000449081694 1124646471 /nfs/dbraw/zinc/64/64/71/1124646471.db2.gz HGQVVWSEOSQBSM-IRXDYDNUSA-N 2 1 278.484 3.811 20 0 CHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(C)(C)C)[C@@H](C)C1 ZINC000449140247 1124655645 /nfs/dbraw/zinc/65/56/45/1124655645.db2.gz MXLKLCGYTFUWTH-ULQDDVLXSA-N 2 1 298.515 3.538 20 0 CHADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cs1 ZINC000449200205 1124671851 /nfs/dbraw/zinc/67/18/51/1124671851.db2.gz BHUQJLYSWJDPFP-HNNXBMFYSA-N 2 1 280.481 3.514 20 0 CHADMP C[NH+]1CCC([NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000449773394 1124868052 /nfs/dbraw/zinc/86/80/52/1124868052.db2.gz MXWSCSZTQADBGN-PBHICJAKSA-N 2 1 292.854 3.660 20 0 CHADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccnc(Cl)c1 ZINC000125617922 1124907251 /nfs/dbraw/zinc/90/72/51/1124907251.db2.gz GRIQOYBIUGHKNO-UONOGXRCSA-N 2 1 295.858 3.508 20 0 CHADMP C[C@H](CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)CC(C)(C)C ZINC000443205727 1124912825 /nfs/dbraw/zinc/91/28/25/1124912825.db2.gz UOZLYPGCEDHXMO-LVQVYYBASA-N 2 1 268.489 3.767 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2CCCCC2(F)F)CC1 ZINC000450467949 1125037605 /nfs/dbraw/zinc/03/76/05/1125037605.db2.gz MQTRHCVOZAYFLC-AWEZNQCLSA-N 2 1 288.426 3.618 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)cccc2C)C[C@@H]1C ZINC000530663049 1125169905 /nfs/dbraw/zinc/16/99/05/1125169905.db2.gz CLUQXIPNNIGNLN-IRXDYDNUSA-N 2 1 274.452 3.608 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)cccc2C)C[C@@H]1C ZINC000530663049 1125169909 /nfs/dbraw/zinc/16/99/09/1125169909.db2.gz CLUQXIPNNIGNLN-IRXDYDNUSA-N 2 1 274.452 3.608 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)cccc2C)C[C@@H]1C ZINC000530663049 1125169912 /nfs/dbraw/zinc/16/99/12/1125169912.db2.gz CLUQXIPNNIGNLN-IRXDYDNUSA-N 2 1 274.452 3.608 20 0 CHADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000531383529 1125215094 /nfs/dbraw/zinc/21/50/94/1125215094.db2.gz NVOCPGGUPSKBBR-QGZVFWFLSA-N 2 1 288.479 3.758 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000531383529 1125215096 /nfs/dbraw/zinc/21/50/96/1125215096.db2.gz NVOCPGGUPSKBBR-QGZVFWFLSA-N 2 1 288.479 3.758 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000531383529 1125215099 /nfs/dbraw/zinc/21/50/99/1125215099.db2.gz NVOCPGGUPSKBBR-QGZVFWFLSA-N 2 1 288.479 3.758 20 0 CHADMP CC(C)(C)OCCC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879949297 1125241083 /nfs/dbraw/zinc/24/10/83/1125241083.db2.gz UDEODTMYDUPWCB-UHFFFAOYSA-N 2 1 296.499 3.532 20 0 CHADMP CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000532227300 1125242491 /nfs/dbraw/zinc/24/24/91/1125242491.db2.gz CFSSENUIMIKXAD-RDJZCZTQSA-N 2 1 266.473 3.667 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000128267058 1125254571 /nfs/dbraw/zinc/25/45/71/1125254571.db2.gz RRZWFVSXSQYGFY-UHFFFAOYSA-N 2 1 289.398 3.636 20 0 CHADMP CC1([NH+]2CCC2)CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC000880475220 1125276730 /nfs/dbraw/zinc/27/67/30/1125276730.db2.gz SNKBCQPYEIYCLO-UHFFFAOYSA-N 2 1 284.447 3.624 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000398044366 1125332944 /nfs/dbraw/zinc/33/29/44/1125332944.db2.gz UVHLUOUCHQZIKH-HBFSDRIKSA-N 2 1 298.474 3.843 20 0 CHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C)CCC1 ZINC000398031720 1125333146 /nfs/dbraw/zinc/33/31/46/1125333146.db2.gz NOYGEFFETATOLV-WMZOPIPTSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C)CCC1 ZINC000398031720 1125333148 /nfs/dbraw/zinc/33/31/48/1125333148.db2.gz NOYGEFFETATOLV-WMZOPIPTSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)C ZINC000398173389 1125336204 /nfs/dbraw/zinc/33/62/04/1125336204.db2.gz IKVLIMXWFFLEQZ-WBVHZDCISA-N 2 1 274.452 3.533 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)C ZINC000398173389 1125336206 /nfs/dbraw/zinc/33/62/06/1125336206.db2.gz IKVLIMXWFFLEQZ-WBVHZDCISA-N 2 1 274.452 3.533 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCCSC1 ZINC000131130438 1125374471 /nfs/dbraw/zinc/37/44/71/1125374471.db2.gz YEDXAZPAGAMYCB-QGZVFWFLSA-N 2 1 292.492 3.512 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)Cc2ccccc2)CC1(C)C ZINC000623423667 1125384106 /nfs/dbraw/zinc/38/41/06/1125384106.db2.gz MYXDLBLERKJQOV-QGZVFWFLSA-N 2 1 288.479 3.718 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(C(C)C)cc2)[C@@H](C)C1 ZINC000532441846 1125386945 /nfs/dbraw/zinc/38/69/45/1125386945.db2.gz BZMRTWAUFAWQJS-LPHOPBHVSA-N 2 1 288.479 3.672 20 0 CHADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044533259 1125394054 /nfs/dbraw/zinc/39/40/54/1125394054.db2.gz IBZRSJIIYBJCFH-IRXDYDNUSA-N 2 1 288.479 3.674 20 0 CHADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527915 1125394229 /nfs/dbraw/zinc/39/42/29/1125394229.db2.gz KYOGNPYVSPSSDC-LSDHHAIUSA-N 2 1 268.404 3.572 20 0 CHADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883439499 1125410601 /nfs/dbraw/zinc/41/06/01/1125410601.db2.gz SWOSLCDSEHCTOL-DZGCQCFKSA-N 2 1 288.426 3.509 20 0 CHADMP CC1CCC([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168205413 1125411759 /nfs/dbraw/zinc/41/17/59/1125411759.db2.gz BEVFQCHVWSNPLL-XGKJGOLRSA-N 2 1 264.457 3.690 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1cccs1)C1CC1 ZINC000125438744 1125449112 /nfs/dbraw/zinc/44/91/12/1125449112.db2.gz XMMHIPVSGAKXBC-UHFFFAOYSA-N 2 1 289.448 3.698 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1cccs1)C1CC1 ZINC000125438744 1125449114 /nfs/dbraw/zinc/44/91/14/1125449114.db2.gz XMMHIPVSGAKXBC-UHFFFAOYSA-N 2 1 289.448 3.698 20 0 CHADMP C[NH+](C/C=C\C[N@H+](C)CC1CCCC1)CC1CCCC1 ZINC000621627473 1129180873 /nfs/dbraw/zinc/18/08/73/1129180873.db2.gz CXWXSNQALXUYNE-FPLPWBNLSA-N 2 1 278.484 3.787 20 0 CHADMP CCCc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)s1 ZINC000621728022 1129186629 /nfs/dbraw/zinc/18/66/29/1129186629.db2.gz ZUGTVKIRVQEAMC-UHFFFAOYSA-N 2 1 291.464 3.728 20 0 CHADMP CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638291076 1129253042 /nfs/dbraw/zinc/25/30/42/1129253042.db2.gz ZPCIYMHZHODZBL-YXJHDRRASA-N 2 1 272.436 3.743 20 0 CHADMP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638291076 1129253045 /nfs/dbraw/zinc/25/30/45/1129253045.db2.gz ZPCIYMHZHODZBL-YXJHDRRASA-N 2 1 272.436 3.743 20 0 CHADMP C[C@H](CC[NH2+][C@@H](C)[C@H]1CC1(F)F)[N@@H+](C)Cc1ccccc1 ZINC000638726147 1129267539 /nfs/dbraw/zinc/26/75/39/1129267539.db2.gz KDMOZSJYRTVUKX-IJEWVQPXSA-N 2 1 296.405 3.530 20 0 CHADMP C[C@H]([NH+](C)C/C=C/C[N@H+](C)[C@@H](C)C1(C)CC1)C1(C)CC1 ZINC000177230324 1129282646 /nfs/dbraw/zinc/28/26/46/1129282646.db2.gz JMUCYNWEQNNFJE-HABDOHHLSA-N 2 1 278.484 3.783 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639166100 1129288069 /nfs/dbraw/zinc/28/80/69/1129288069.db2.gz DIZPKDWELSQAKB-JZGRTCEGSA-N 2 1 284.447 3.743 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639166100 1129288071 /nfs/dbraw/zinc/28/80/71/1129288071.db2.gz DIZPKDWELSQAKB-JZGRTCEGSA-N 2 1 284.447 3.743 20 0 CHADMP CC1=C(C)C[C@@H]([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000639251487 1129296866 /nfs/dbraw/zinc/29/68/66/1129296866.db2.gz YUPCLYVDHDWZED-DUQJVZAFSA-N 2 1 276.468 3.726 20 0 CHADMP CCCCC[C@H](CC)[N@@H+](C)C1CCN(CC)CC1 ZINC001258446595 1129368254 /nfs/dbraw/zinc/36/82/54/1129368254.db2.gz SEEOYFAZIISRRN-HNNXBMFYSA-N 2 1 254.462 3.761 20 0 CHADMP CCCCC[C@H](CC)[N@H+](C)C1CC[NH+](CC)CC1 ZINC001258446595 1129368258 /nfs/dbraw/zinc/36/82/58/1129368258.db2.gz SEEOYFAZIISRRN-HNNXBMFYSA-N 2 1 254.462 3.761 20 0 CHADMP CCCCC[C@H](CC)[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001258446595 1129368261 /nfs/dbraw/zinc/36/82/61/1129368261.db2.gz SEEOYFAZIISRRN-HNNXBMFYSA-N 2 1 254.462 3.761 20 0 CHADMP CCCCC(CCCC)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001258388473 1129319691 /nfs/dbraw/zinc/31/96/91/1129319691.db2.gz FUVJYEIJWIBXQS-NVXWUHKLSA-N 2 1 266.473 3.619 20 0 CHADMP CC[C@H](c1ccccc1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757300 1129331935 /nfs/dbraw/zinc/33/19/35/1129331935.db2.gz FMNRXFCCAAUNGV-QGZVFWFLSA-N 2 1 272.436 3.555 20 0 CHADMP C[C@@H]1C[N@@H+](CCCc2cccc(Cl)c2)CCC[C@@H]1C[NH3+] ZINC001205985675 1129349255 /nfs/dbraw/zinc/34/92/55/1129349255.db2.gz ZRXKCMCLLVGQBP-GDBMZVCRSA-N 2 1 294.870 3.579 20 0 CHADMP CCCCC[C@@H](CC)[N@@H+](C)CCC[NH+]1CCCC1 ZINC001258444935 1129365709 /nfs/dbraw/zinc/36/57/09/1129365709.db2.gz CNXGCCBIOULRNY-MRXNPFEDSA-N 2 1 254.462 3.763 20 0 CHADMP C[C@H]1C[N@@H+](CCCc2cccc(Cl)c2)CCC[C@H]1C[NH3+] ZINC001205985677 1129369869 /nfs/dbraw/zinc/36/98/69/1129369869.db2.gz ZRXKCMCLLVGQBP-HOCLYGCPSA-N 2 1 294.870 3.579 20 0 CHADMP C[N@@H+](Cc1csc2ccccc12)C1CCC([NH3+])CC1 ZINC000091844147 1129373552 /nfs/dbraw/zinc/37/35/52/1129373552.db2.gz LHXVIJVLDQMAIE-UHFFFAOYSA-N 2 1 274.433 3.603 20 0 CHADMP C[C@H]([NH2+][C@H]1CCC[C@H](c2ccccc2)C1)c1c[nH+]ccc1N ZINC000643485042 1129443256 /nfs/dbraw/zinc/44/32/56/1129443256.db2.gz BXTJXZTXHRFVBB-XIRDDKMYSA-N 2 1 295.430 3.871 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC(C)(C)C1 ZINC001258687238 1129501107 /nfs/dbraw/zinc/50/11/07/1129501107.db2.gz OAEIXLVNDAXGFD-OWCLPIDISA-N 2 1 266.473 3.523 20 0 CHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCC3CC3)CC23CC3)cc1 ZINC000647188119 1129555236 /nfs/dbraw/zinc/55/52/36/1129555236.db2.gz PDKYUBKJDIAROX-SFHVURJKSA-N 2 1 284.447 3.573 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCC3CC3)CC23CC3)cc1 ZINC000647188119 1129555239 /nfs/dbraw/zinc/55/52/39/1129555239.db2.gz PDKYUBKJDIAROX-SFHVURJKSA-N 2 1 284.447 3.573 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CCC1 ZINC000647196546 1129555857 /nfs/dbraw/zinc/55/58/57/1129555857.db2.gz DAWQQBPKGSFWHY-LPHOPBHVSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CCC1 ZINC000647196546 1129555861 /nfs/dbraw/zinc/55/58/61/1129555861.db2.gz DAWQQBPKGSFWHY-LPHOPBHVSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@H](CC1CCC1)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344210 1129571763 /nfs/dbraw/zinc/57/17/63/1129571763.db2.gz LYDDIYSLZOWLNF-LZQZEXGQSA-N 2 1 286.463 3.500 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2(c3cccc(Cl)c3)CCC2)CC[N@@H+]1C ZINC000647349579 1129573398 /nfs/dbraw/zinc/57/33/98/1129573398.db2.gz YKTKJAHZVWCSQF-XJKSGUPXSA-N 2 1 292.854 3.792 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2(c3cccc(Cl)c3)CCC2)CC[N@H+]1C ZINC000647349579 1129573401 /nfs/dbraw/zinc/57/34/01/1129573401.db2.gz YKTKJAHZVWCSQF-XJKSGUPXSA-N 2 1 292.854 3.792 20 0 CHADMP Clc1cc(Cl)cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647482824 1129578912 /nfs/dbraw/zinc/57/89/12/1129578912.db2.gz BPJZVLYIMKQZOG-UHFFFAOYSA-N 2 1 299.245 3.710 20 0 CHADMP Clc1cc(Cl)cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647482824 1129578915 /nfs/dbraw/zinc/57/89/15/1129578915.db2.gz BPJZVLYIMKQZOG-UHFFFAOYSA-N 2 1 299.245 3.710 20 0 CHADMP Clc1ccsc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543551 1129580761 /nfs/dbraw/zinc/58/07/61/1129580761.db2.gz PESWSYCDRSRJNB-QWHCGFSZSA-N 2 1 298.883 3.613 20 0 CHADMP Clc1cscc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544374 1129581096 /nfs/dbraw/zinc/58/10/96/1129581096.db2.gz ZOOAHPGAYKYUHG-QWHCGFSZSA-N 2 1 298.883 3.613 20 0 CHADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000647874703 1129586212 /nfs/dbraw/zinc/58/62/12/1129586212.db2.gz NNOXKFHZALFVSM-CYBMUJFWSA-N 2 1 296.405 3.737 20 0 CHADMP C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000647875687 1129586978 /nfs/dbraw/zinc/58/69/78/1129586978.db2.gz HTEGNRFRWGJWOT-ZDUSSCGKSA-N 2 1 296.405 3.737 20 0 CHADMP CC(C)C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccccc1 ZINC001246185174 1131384106 /nfs/dbraw/zinc/38/41/06/1131384106.db2.gz ACLFZSIBGQSYLC-DLBZAZTESA-N 2 1 260.425 3.506 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCc2ccccc2C1 ZINC000648457963 1129606776 /nfs/dbraw/zinc/60/67/76/1129606776.db2.gz AOFJKGWBLSITRS-IBGZPJMESA-N 2 1 297.446 3.509 20 0 CHADMP CC(C)C[C@H](Cc1ccccc1)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001169060240 1129693841 /nfs/dbraw/zinc/69/38/41/1129693841.db2.gz XLJGOGHQOVIGRQ-CTWPCTMYSA-N 2 1 288.479 3.846 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(C)cc1 ZINC001169099325 1129696243 /nfs/dbraw/zinc/69/62/43/1129696243.db2.gz PTUGUJFWLZWPPQ-ZJPYXAASSA-N 2 1 272.436 3.661 20 0 CHADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC001169094496 1129696399 /nfs/dbraw/zinc/69/63/99/1129696399.db2.gz LXPBAYLEKRELBB-BQDHKBFISA-N 2 1 278.827 3.616 20 0 CHADMP CC(C)[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC001169101270 1129697296 /nfs/dbraw/zinc/69/72/96/1129697296.db2.gz QEOAHCNKLZYPHX-MHORFTMASA-N 2 1 290.426 3.738 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NCc1cccc(Cl)c1Cl)C2 ZINC001169089240 1129699348 /nfs/dbraw/zinc/69/93/48/1129699348.db2.gz ABLZPWZQAWKIGS-CLLJXQQHSA-N 2 1 299.245 3.708 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](CC1CC1)c1ccccc1)C2 ZINC001169116330 1129700164 /nfs/dbraw/zinc/70/01/64/1129700164.db2.gz PXQNNQZVWLOROW-RDGPPVDQSA-N 2 1 284.447 3.743 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)C2 ZINC001169119898 1129700586 /nfs/dbraw/zinc/70/05/86/1129700586.db2.gz YFMJJFVKZPDMJB-QXCZDIPSSA-N 2 1 284.447 3.538 20 0 CHADMP CC(C)C[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126137 1129701223 /nfs/dbraw/zinc/70/12/23/1129701223.db2.gz QCQBYJJYCIZRBX-BWTSREIZSA-N 2 1 286.463 3.770 20 0 CHADMP CC(C)C[NH+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169126137 1129701226 /nfs/dbraw/zinc/70/12/26/1129701226.db2.gz QCQBYJJYCIZRBX-BWTSREIZSA-N 2 1 286.463 3.770 20 0 CHADMP CC(C)C[NH+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169126137 1129701227 /nfs/dbraw/zinc/70/12/27/1129701227.db2.gz QCQBYJJYCIZRBX-BWTSREIZSA-N 2 1 286.463 3.770 20 0 CHADMP C[N@H+]([C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C)C12CC3CC(CC(C3)C1)C2 ZINC001169142409 1129704795 /nfs/dbraw/zinc/70/47/95/1129704795.db2.gz UFTSSYUPAJIIGA-NAKGGRRYSA-N 2 1 288.479 3.512 20 0 CHADMP C[N@@H+]([C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C)C12CC3CC(CC(C3)C1)C2 ZINC001169142409 1129704797 /nfs/dbraw/zinc/70/47/97/1129704797.db2.gz UFTSSYUPAJIIGA-NAKGGRRYSA-N 2 1 288.479 3.512 20 0 CHADMP C[NH+]([C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C12CC3CC(CC(C3)C1)C2 ZINC001169142409 1129704800 /nfs/dbraw/zinc/70/48/00/1129704800.db2.gz UFTSSYUPAJIIGA-NAKGGRRYSA-N 2 1 288.479 3.512 20 0 CHADMP C[NH+]([C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C12CC3CC(CC(C3)C1)C2 ZINC001169142409 1129704803 /nfs/dbraw/zinc/70/48/03/1129704803.db2.gz UFTSSYUPAJIIGA-NAKGGRRYSA-N 2 1 288.479 3.512 20 0 CHADMP Cc1cc([NH2+][C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)ccc1N ZINC001169152860 1129704991 /nfs/dbraw/zinc/70/49/91/1129704991.db2.gz RCWKEDIBUVTPFE-YOEHRIQHSA-N 2 1 275.440 3.533 20 0 CHADMP CCc1ccc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)[nH+]c1 ZINC001169149212 1129705296 /nfs/dbraw/zinc/70/52/96/1129705296.db2.gz YRFPZSNIOVCBCW-PBHICJAKSA-N 2 1 275.440 3.600 20 0 CHADMP CC[N@@H+](Cc1ccc(C)c(C)c1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169152767 1129705487 /nfs/dbraw/zinc/70/54/87/1129705487.db2.gz DIOOHTMPGXHYKJ-BWTSREIZSA-N 2 1 286.463 3.751 20 0 CHADMP CC[NH+](Cc1ccc(C)c(C)c1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169152767 1129705489 /nfs/dbraw/zinc/70/54/89/1129705489.db2.gz DIOOHTMPGXHYKJ-BWTSREIZSA-N 2 1 286.463 3.751 20 0 CHADMP CC[NH+](Cc1ccc(C)c(C)c1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169152767 1129705490 /nfs/dbraw/zinc/70/54/90/1129705490.db2.gz DIOOHTMPGXHYKJ-BWTSREIZSA-N 2 1 286.463 3.751 20 0 CHADMP CCCC[NH+](CCCC)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169140500 1129706334 /nfs/dbraw/zinc/70/63/34/1129706334.db2.gz KMGMIOIKXWDVGQ-MUJYYYPQSA-N 2 1 252.446 3.514 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](c2cccc(F)c2)C2CCC2)CC1 ZINC001169230344 1129710687 /nfs/dbraw/zinc/71/06/87/1129710687.db2.gz YRVKZSDTUIVDFF-GOSISDBHSA-N 2 1 290.426 3.741 20 0 CHADMP CCN1CCC([NH2+][C@H](C)c2cc(F)cc(Cl)c2)CC1 ZINC001169244144 1129712155 /nfs/dbraw/zinc/71/21/55/1129712155.db2.gz DDKRGGFXNPRWHW-LLVKDONJSA-N 2 1 284.806 3.614 20 0 CHADMP CCN1CCC([N@H+]2CCC[C@@H]2c2cccc(C)c2)CC1 ZINC001169246686 1129712324 /nfs/dbraw/zinc/71/23/24/1129712324.db2.gz UYABBSXIOVRVJD-GOSISDBHSA-N 2 1 272.436 3.616 20 0 CHADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2cccc(C)c2)CC1 ZINC001169246686 1129712327 /nfs/dbraw/zinc/71/23/27/1129712327.db2.gz UYABBSXIOVRVJD-GOSISDBHSA-N 2 1 272.436 3.616 20 0 CHADMP CC[NH+]1CCC([N@H+]2CCC[C@@H]2c2cccc(C)c2)CC1 ZINC001169246686 1129712328 /nfs/dbraw/zinc/71/23/28/1129712328.db2.gz UYABBSXIOVRVJD-GOSISDBHSA-N 2 1 272.436 3.616 20 0 CHADMP CC[NH+]1CCC([NH2+]C2(c3cccc4ccccc43)CC2)CC1 ZINC001169238494 1129712386 /nfs/dbraw/zinc/71/23/86/1129712386.db2.gz IMBBISLAXGNIPN-UHFFFAOYSA-N 2 1 294.442 3.903 20 0 CHADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccccc1Cl ZINC000650752762 1129721265 /nfs/dbraw/zinc/72/12/65/1129721265.db2.gz ZVUQBICTZUGOSW-NSHDSACASA-N 2 1 292.785 3.789 20 0 CHADMP CC[C@@H](Cc1cccs1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000651491997 1129741166 /nfs/dbraw/zinc/74/11/66/1129741166.db2.gz HABRPLCFEIGVER-AWEZNQCLSA-N 2 1 280.481 3.533 20 0 CHADMP Cc1ccc2cc[nH+]c(NCC[C@H]3CCC[N@@H+](C)C3)c2c1 ZINC001156379291 1129757654 /nfs/dbraw/zinc/75/76/54/1129757654.db2.gz SUNHHGWXGVHGPU-OAHLLOKOSA-N 2 1 283.419 3.687 20 0 CHADMP Cc1ccc2cc[nH+]c(NCC[C@H]3CCC[N@H+](C)C3)c2c1 ZINC001156379291 1129757657 /nfs/dbraw/zinc/75/76/57/1129757657.db2.gz SUNHHGWXGVHGPU-OAHLLOKOSA-N 2 1 283.419 3.687 20 0 CHADMP CC[C@@H](C)C[C@@H](CC)[N@@H+](C)CCC[NH+]1CCCC1 ZINC001258795928 1129767882 /nfs/dbraw/zinc/76/78/82/1129767882.db2.gz VFGXBFCCHMPSRF-HZPDHXFCSA-N 2 1 254.462 3.619 20 0 CHADMP CCCCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000653279544 1129779109 /nfs/dbraw/zinc/77/91/09/1129779109.db2.gz NASYXRWIXFAWHC-NVXWUHKLSA-N 2 1 290.451 3.567 20 0 CHADMP CC[N@H+](CCCc1c[nH+]cn1C)Cc1ccc(Cl)s1 ZINC000653480090 1129780999 /nfs/dbraw/zinc/78/09/99/1129780999.db2.gz SFXPBSQZQOQWNG-UHFFFAOYSA-N 2 1 297.855 3.590 20 0 CHADMP CC[N@@H+](CCCc1c[nH+]cn1C)Cc1ccc(Cl)s1 ZINC000653480090 1129781001 /nfs/dbraw/zinc/78/10/01/1129781001.db2.gz SFXPBSQZQOQWNG-UHFFFAOYSA-N 2 1 297.855 3.590 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC000653777476 1129795623 /nfs/dbraw/zinc/79/56/23/1129795623.db2.gz NBVAQVUDWZKWEE-RDJZCZTQSA-N 2 1 289.467 3.501 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC000653777476 1129795625 /nfs/dbraw/zinc/79/56/25/1129795625.db2.gz NBVAQVUDWZKWEE-RDJZCZTQSA-N 2 1 289.467 3.501 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C2CC(C(F)F)C2)c1 ZINC000768712555 1129869268 /nfs/dbraw/zinc/86/92/68/1129869268.db2.gz YLUBZAWVCMGVNX-UHFFFAOYSA-N 2 1 296.405 3.660 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CS1 ZINC001461459685 1129927581 /nfs/dbraw/zinc/92/75/81/1129927581.db2.gz GHGSNHADOCVVJE-BFYDXBDKSA-N 2 1 296.524 3.657 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CS1 ZINC001461459685 1129927583 /nfs/dbraw/zinc/92/75/83/1129927583.db2.gz GHGSNHADOCVVJE-BFYDXBDKSA-N 2 1 296.524 3.657 20 0 CHADMP C(=C\C[N@H+]1CCCC12CCC2)\C[NH+]1CCCC12CCC2 ZINC000769984102 1129934541 /nfs/dbraw/zinc/93/45/41/1129934541.db2.gz KWWFIXOMVLPAAF-UPHRSURJSA-N 2 1 274.452 3.580 20 0 CHADMP C[C@H](CCc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903055457 1130105816 /nfs/dbraw/zinc/10/58/16/1130105816.db2.gz GOEJNAOFVFMNLU-XIHRNRATSA-N 2 1 298.474 3.755 20 0 CHADMP CC[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903099587 1130111533 /nfs/dbraw/zinc/11/15/33/1130111533.db2.gz JULFUOUYBQMJKS-LSLVUIDQSA-N 2 1 276.468 3.703 20 0 CHADMP c1ccc([C@H]2C[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)cc1 ZINC000903168675 1130122990 /nfs/dbraw/zinc/12/29/90/1130122990.db2.gz ZTADDVZXFQVJFX-FCZZKEPISA-N 2 1 296.458 3.680 20 0 CHADMP CC(C)=CCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903177752 1130125204 /nfs/dbraw/zinc/12/52/04/1130125204.db2.gz AZBJUOSGVPGNGJ-DUZACMNTSA-N 2 1 276.468 3.869 20 0 CHADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1CC1(C)C ZINC000903190254 1130126980 /nfs/dbraw/zinc/12/69/80/1130126980.db2.gz RABMODWBKRCTFA-SXLMRFEMSA-N 2 1 276.468 3.559 20 0 CHADMP CC(C)(C)C[C@@H]1C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903194905 1130128133 /nfs/dbraw/zinc/12/81/33/1130128133.db2.gz RTQACWADRPPWKX-SMMMKCNCSA-N 2 1 276.468 3.559 20 0 CHADMP CCC[C@H](C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903216575 1130131492 /nfs/dbraw/zinc/13/14/92/1130131492.db2.gz DPHACNHGUGYGMS-YTTRVJOFSA-N 2 1 264.457 3.560 20 0 CHADMP CC(C)CCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001170071461 1130142879 /nfs/dbraw/zinc/14/28/79/1130142879.db2.gz OTQJGROAESMUIX-HZPDHXFCSA-N 2 1 266.473 3.808 20 0 CHADMP CC(C)CCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001170071461 1130142880 /nfs/dbraw/zinc/14/28/80/1130142880.db2.gz OTQJGROAESMUIX-HZPDHXFCSA-N 2 1 266.473 3.808 20 0 CHADMP CC(C)c1ccccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903740245 1130194578 /nfs/dbraw/zinc/19/45/78/1130194578.db2.gz FBOSNKLRKHMMOB-SJPCQFCGSA-N 2 1 272.436 3.525 20 0 CHADMP Cc1cc(-c2ccc(C[NH+]3CCCC3)cc2)cn2cc[nH+]c12 ZINC001240058768 1130205745 /nfs/dbraw/zinc/20/57/45/1130205745.db2.gz LXVBMHZYTSYDKS-UHFFFAOYSA-N 2 1 291.398 3.906 20 0 CHADMP CCC[N@@H+](CCc1cccs1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903912193 1130209745 /nfs/dbraw/zinc/20/97/45/1130209745.db2.gz BANPITZBEOPUTA-MQVJKMGUSA-N 2 1 292.492 3.533 20 0 CHADMP Cc1ccc2c(C)cc(NC3(C)CC[NH2+]CC3)[nH+]c2c1C ZINC001157402877 1130224401 /nfs/dbraw/zinc/22/44/01/1130224401.db2.gz HYOKVQSWPXVOHC-UHFFFAOYSA-N 2 1 283.419 3.714 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1cccc(C)c1 ZINC001254506056 1130256920 /nfs/dbraw/zinc/25/69/20/1130256920.db2.gz OHUXJXKXMCZUMY-IAGOWNOFSA-N 2 1 260.425 3.520 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(C)c1Cl ZINC001206036905 1130257641 /nfs/dbraw/zinc/25/76/41/1130257641.db2.gz SGEPROMALVEJND-ZFWWWQNUSA-N 2 1 294.870 3.764 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001170120477 1130278463 /nfs/dbraw/zinc/27/84/63/1130278463.db2.gz HSZKNJVTTXTNFU-SJLPKXTDSA-N 2 1 286.463 3.819 20 0 CHADMP c1ccc(C[N@H+]2CCC=C(c3cccc4c3C[NH2+]C4)C2)cc1 ZINC001240388685 1130286180 /nfs/dbraw/zinc/28/61/80/1130286180.db2.gz REPLLJKLSCPRIP-UHFFFAOYSA-N 2 1 290.410 3.579 20 0 CHADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+]([C@@H]4CC[C@@H](C)C4)C[C@H]3C2)cc1 ZINC001170138529 1130317676 /nfs/dbraw/zinc/31/76/76/1130317676.db2.gz QRTYMXDAYLSHDY-VBSBHUPXSA-N 2 1 298.474 3.547 20 0 CHADMP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000130160817 1130363461 /nfs/dbraw/zinc/36/34/61/1130363461.db2.gz GFFPHVZCJPIYDD-IXDOHACOSA-N 2 1 272.436 3.581 20 0 CHADMP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000678423149 1130414287 /nfs/dbraw/zinc/41/42/87/1130414287.db2.gz JNROUYTYFAWVHC-INIZCTEOSA-N 2 1 291.483 3.861 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)c(C)n1 ZINC000678427853 1130416314 /nfs/dbraw/zinc/41/63/14/1130416314.db2.gz NMVFIDCMVKPNRI-INIZCTEOSA-N 2 1 291.483 3.858 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1c2ccccc2CC[C@@H]1C ZINC000678771489 1130452053 /nfs/dbraw/zinc/45/20/53/1130452053.db2.gz VXYCWTXWOCRYNN-HNAYVOBHSA-N 2 1 297.446 3.885 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000678887056 1130468149 /nfs/dbraw/zinc/46/81/49/1130468149.db2.gz UYMQQBNTOHJAAU-HNAYVOBHSA-N 2 1 297.446 3.959 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H](C)Cc1ccccc1Cl ZINC001170294378 1130475478 /nfs/dbraw/zinc/47/54/78/1130475478.db2.gz PKEGJCBBZVKIPU-HNNXBMFYSA-N 2 1 296.886 3.935 20 0 CHADMP C[C@H]([NH2+]CC1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000679740030 1130554298 /nfs/dbraw/zinc/55/42/98/1130554298.db2.gz UALZJBJEAYUSSD-RDJZCZTQSA-N 2 1 278.484 3.809 20 0 CHADMP CC(C)CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001256366977 1130625726 /nfs/dbraw/zinc/62/57/26/1130625726.db2.gz USMNQGPPZMABPE-OWCLPIDISA-N 2 1 254.462 3.520 20 0 CHADMP CCCCCCc1csc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC001234981266 1130700353 /nfs/dbraw/zinc/70/03/53/1130700353.db2.gz MNCBEWMZHVJPAM-IYBDPMFKSA-N 2 1 292.492 3.522 20 0 CHADMP c1ccc(-c2ccccc2C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235034254 1130703821 /nfs/dbraw/zinc/70/38/21/1130703821.db2.gz WAOXMZVTZAREKV-FQEVSTJZSA-N 2 1 292.426 3.539 20 0 CHADMP [NH3+]CC12CC(C1)C[N@@H+]2Cc1cccc2c3ccccc3oc21 ZINC001235005908 1130703843 /nfs/dbraw/zinc/70/38/43/1130703843.db2.gz CCBJVMZDNIPFNR-UHFFFAOYSA-N 2 1 292.382 3.509 20 0 CHADMP [NH3+]CC12CC(C1)C[N@H+]2Cc1cccc2c3ccccc3oc21 ZINC001235005908 1130703848 /nfs/dbraw/zinc/70/38/48/1130703848.db2.gz CCBJVMZDNIPFNR-UHFFFAOYSA-N 2 1 292.382 3.509 20 0 CHADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)CC1 ZINC001235042610 1130705490 /nfs/dbraw/zinc/70/54/90/1130705490.db2.gz YGCGBOOAEXWXDR-BZSNNMDCSA-N 2 1 276.468 3.587 20 0 CHADMP Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235048496 1130707012 /nfs/dbraw/zinc/70/70/12/1130707012.db2.gz YINJAKQMIQPPGD-KRWDZBQOSA-N 2 1 292.854 3.757 20 0 CHADMP Cc1cccc(Cl)c1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235048496 1130707018 /nfs/dbraw/zinc/70/70/18/1130707018.db2.gz YINJAKQMIQPPGD-KRWDZBQOSA-N 2 1 292.854 3.757 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235111723 1130711628 /nfs/dbraw/zinc/71/16/28/1130711628.db2.gz STNJFIWEYBDLAO-IAGOWNOFSA-N 2 1 264.457 3.587 20 0 CHADMP Clc1ccsc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235160590 1130716216 /nfs/dbraw/zinc/71/62/16/1130716216.db2.gz YBUGNUSIPIOCMI-CQSZACIVSA-N 2 1 298.883 3.756 20 0 CHADMP c1cc2cccc(C[N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)c2o1 ZINC001235158667 1130716525 /nfs/dbraw/zinc/71/65/25/1130716525.db2.gz VDLFLWIXECJNJC-SFHVURJKSA-N 2 1 298.430 3.787 20 0 CHADMP CC(C)c1ccc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)cc1 ZINC001235176303 1130718520 /nfs/dbraw/zinc/71/85/20/1130718520.db2.gz ZZNNDWYTCMPMGF-LJQANCHMSA-N 2 1 286.463 3.918 20 0 CHADMP CC(C)c1ccc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)cc1 ZINC001235176303 1130718525 /nfs/dbraw/zinc/71/85/25/1130718525.db2.gz ZZNNDWYTCMPMGF-LJQANCHMSA-N 2 1 286.463 3.918 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc[nH]1 ZINC000781515908 1130722743 /nfs/dbraw/zinc/72/27/43/1130722743.db2.gz AVYONHUWZKGVCK-BQFCYCMXSA-N 2 1 297.446 3.718 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc[nH]1 ZINC000781515908 1130722747 /nfs/dbraw/zinc/72/27/47/1130722747.db2.gz AVYONHUWZKGVCK-BQFCYCMXSA-N 2 1 297.446 3.718 20 0 CHADMP CCC[C@@H](C)C[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235247944 1130727649 /nfs/dbraw/zinc/72/76/49/1130727649.db2.gz ITEOJLNAFITPRF-BHIYHBOVSA-N 2 1 286.463 3.644 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3C[C@@H]4C[C@H]3C[C@@H]4[NH3+])cc2)c1 ZINC001235256611 1130729440 /nfs/dbraw/zinc/72/94/40/1130729440.db2.gz SFVWDMMTIVTYJZ-UFYCRDLUSA-N 2 1 292.426 3.584 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC001235275493 1130731500 /nfs/dbraw/zinc/73/15/00/1130731500.db2.gz WXEUSIZMKWBGRY-WMZOPIPTSA-N 2 1 286.463 3.558 20 0 CHADMP CCC[C@H](C)C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235379333 1130737162 /nfs/dbraw/zinc/73/71/62/1130737162.db2.gz ODBDEYSXFDNWAF-UHOSZYNNSA-N 2 1 286.463 3.502 20 0 CHADMP Clc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235426124 1130741175 /nfs/dbraw/zinc/74/11/75/1130741175.db2.gz NIYZEOKAAZASJE-HOTGVXAUSA-N 2 1 292.854 3.552 20 0 CHADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC001235425696 1130741522 /nfs/dbraw/zinc/74/15/22/1130741522.db2.gz MMQDPKIKXMJAFR-CADBVGFASA-N 2 1 290.495 3.690 20 0 CHADMP C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)C1CCCCC1 ZINC001235423567 1130742007 /nfs/dbraw/zinc/74/20/07/1130742007.db2.gz HAOCOYUXDFIGDC-ZWKOTPCHSA-N 2 1 278.484 3.668 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1C ZINC001235429786 1130743238 /nfs/dbraw/zinc/74/32/38/1130743238.db2.gz ZUCCMWSFWXTJGD-RBUKOAKNSA-N 2 1 286.463 3.515 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1C ZINC001235429788 1130743513 /nfs/dbraw/zinc/74/35/13/1130743513.db2.gz ZUCCMWSFWXTJGD-RTBURBONSA-N 2 1 286.463 3.515 20 0 CHADMP CCC(C)(C)c1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1 ZINC001235466650 1130748086 /nfs/dbraw/zinc/74/80/86/1130748086.db2.gz RCHHRVTXLZYJEI-UHFFFAOYSA-N 2 1 274.452 3.558 20 0 CHADMP C[N@@H+](Cc1cccc(C[NH3+])c1)Cc1cccc2ccccc21 ZINC001235663849 1130763409 /nfs/dbraw/zinc/76/34/09/1130763409.db2.gz WOYJCTCAPRWGEK-UHFFFAOYSA-N 2 1 290.410 3.931 20 0 CHADMP Cc1c(C[N@H+]2CCC[C@H](C[NH3+])C2)cccc1-c1ccccc1 ZINC001235677053 1130765293 /nfs/dbraw/zinc/76/52/93/1130765293.db2.gz WLQVLEYQYJIEFE-QGZVFWFLSA-N 2 1 294.442 3.833 20 0 CHADMP Clc1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC001235674128 1130766830 /nfs/dbraw/zinc/76/68/30/1130766830.db2.gz MPVPYHZQZGFBDJ-YOEHRIQHSA-N 2 1 292.854 3.867 20 0 CHADMP CSc1cc(C)cc(C[N@@H+](C)CCC2CC[NH2+]CC2)c1 ZINC001235717479 1130771183 /nfs/dbraw/zinc/77/11/83/1130771183.db2.gz GOVYXIAMCHXEFV-UHFFFAOYSA-N 2 1 292.492 3.538 20 0 CHADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC001235716098 1130771241 /nfs/dbraw/zinc/77/12/41/1130771241.db2.gz YSRGMTFDJMQHAC-SFHVURJKSA-N 2 1 284.378 3.622 20 0 CHADMP Fc1cccc([C@H]2CCC[N@H+]2Cc2ccc3c(c2)C[NH2+]C3)c1 ZINC001235715917 1130771587 /nfs/dbraw/zinc/77/15/87/1130771587.db2.gz XUEZJPIPJTVBJF-LJQANCHMSA-N 2 1 296.389 3.766 20 0 CHADMP CCc1cc(C[N@@H+](C)CCC2CC[NH2+]CC2)ccc1Cl ZINC001235718338 1130773764 /nfs/dbraw/zinc/77/37/64/1130773764.db2.gz YTRKASHHRTZEOR-UHFFFAOYSA-N 2 1 294.870 3.724 20 0 CHADMP Fc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc2c(c1)C[NH2+]C2 ZINC001235719029 1130773823 /nfs/dbraw/zinc/77/38/23/1130773823.db2.gz QNPHWTUQNFQZOC-LJQANCHMSA-N 2 1 296.389 3.766 20 0 CHADMP Cc1ccc(Oc2cccc(C[N@H+]3CC[C@H](C[NH3+])C3)c2)cc1 ZINC001235748495 1130777078 /nfs/dbraw/zinc/77/70/78/1130777078.db2.gz ASXRVCVSJOBSIC-QGZVFWFLSA-N 2 1 296.414 3.568 20 0 CHADMP Cc1cc(Oc2ccccc2)ccc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC001235750657 1130777362 /nfs/dbraw/zinc/77/73/62/1130777362.db2.gz REKVHTTZIMEMMD-MRXNPFEDSA-N 2 1 296.414 3.568 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC001235825188 1130783637 /nfs/dbraw/zinc/78/36/37/1130783637.db2.gz JXHYRCQDLUFGLU-CQSZACIVSA-N 2 1 280.843 3.648 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000813790559 1130784758 /nfs/dbraw/zinc/78/47/58/1130784758.db2.gz QXWVAAOPVXRHIZ-FAXKSRBJSA-N 2 1 298.474 3.960 20 0 CHADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccc(F)c(-c2ccccc2)c1 ZINC001235926303 1130806006 /nfs/dbraw/zinc/80/60/06/1130806006.db2.gz XBENZNFIEHRNJT-KRWDZBQOSA-N 2 1 298.405 3.806 20 0 CHADMP CC/C=C\CCCCCC[N@@H+](CCOC)C1CC[NH2+]CC1 ZINC001235946673 1130812616 /nfs/dbraw/zinc/81/26/16/1130812616.db2.gz OWQYEQGXBRUDBE-PLNGDYQASA-N 2 1 296.499 3.604 20 0 CHADMP c1cc(C[N@H+]2CC[C@H](C3CCCCC3)C2)cc2c1C[NH2+]C2 ZINC001235949646 1130814581 /nfs/dbraw/zinc/81/45/81/1130814581.db2.gz PQLASXXROFEIIE-SFHVURJKSA-N 2 1 284.447 3.692 20 0 CHADMP CC(C)c1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000783315314 1130816686 /nfs/dbraw/zinc/81/66/86/1130816686.db2.gz DEMIQKKGZSITJN-IAGOWNOFSA-N 2 1 272.436 3.526 20 0 CHADMP c1ccc2c(c1)C[N@H+](CCC1CCCC1)CC21CC[NH2+]CC1 ZINC001235973768 1130821245 /nfs/dbraw/zinc/82/12/45/1130821245.db2.gz KGOLSTBGRCIGPP-UHFFFAOYSA-N 2 1 298.474 3.704 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235990271 1130825280 /nfs/dbraw/zinc/82/52/80/1130825280.db2.gz MGWPPNXKLRSLAM-PXNSSMCTSA-N 2 1 292.426 3.585 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235990271 1130825285 /nfs/dbraw/zinc/82/52/85/1130825285.db2.gz MGWPPNXKLRSLAM-PXNSSMCTSA-N 2 1 292.426 3.585 20 0 CHADMP Cc1cccc(-c2ccc(C[N@@H+]3C[C@H]4CC[C@]4([NH3+])C3)cc2)c1 ZINC001235994788 1130825360 /nfs/dbraw/zinc/82/53/60/1130825360.db2.gz UNNPEBPNYNETKT-UXHICEINSA-N 2 1 292.426 3.585 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3C[C@H]4CC[C@]4([NH3+])C3)cc2)c1 ZINC001235994788 1130825366 /nfs/dbraw/zinc/82/53/66/1130825366.db2.gz UNNPEBPNYNETKT-UXHICEINSA-N 2 1 292.426 3.585 20 0 CHADMP C[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001236046307 1130836946 /nfs/dbraw/zinc/83/69/46/1130836946.db2.gz FTORODIOWAPEJC-KUHUBIRLSA-N 2 1 298.405 3.662 20 0 CHADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001236046307 1130836951 /nfs/dbraw/zinc/83/69/51/1130836951.db2.gz FTORODIOWAPEJC-KUHUBIRLSA-N 2 1 298.405 3.662 20 0 CHADMP C[C@@H]1Cc2ccccc2C[N@@H+]1CCC[NH2+]C1CCCCC1 ZINC001236072892 1130848321 /nfs/dbraw/zinc/84/83/21/1130848321.db2.gz XVQBLHVXGSMKNZ-MRXNPFEDSA-N 2 1 286.463 3.746 20 0 CHADMP C[C@@H]1Cc2ccccc2C[N@H+]1CCC[NH2+]C1CCCCC1 ZINC001236072892 1130848329 /nfs/dbraw/zinc/84/83/29/1130848329.db2.gz XVQBLHVXGSMKNZ-MRXNPFEDSA-N 2 1 286.463 3.746 20 0 CHADMP C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)[N@@H+]2CCCC[NH3+] ZINC001236103951 1130863184 /nfs/dbraw/zinc/86/31/84/1130863184.db2.gz FPRFDSVNKFMWSJ-UXHICEINSA-N 2 1 292.426 3.602 20 0 CHADMP C[N@@H+](CCCC[NH3+])Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC001236141837 1130873380 /nfs/dbraw/zinc/87/33/80/1130873380.db2.gz MLUKXOBHKAEELF-UHFFFAOYSA-N 2 1 292.810 3.771 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001236152714 1130877386 /nfs/dbraw/zinc/87/73/86/1130877386.db2.gz XCICGLVULSYQRF-INIZCTEOSA-N 2 1 280.843 3.996 20 0 CHADMP CCC[N@H+](Cc1cc(C)c(Cl)cc1F)C1CC[NH2+]CC1 ZINC001236184316 1130881359 /nfs/dbraw/zinc/88/13/59/1130881359.db2.gz HXKQCMFMLHZPQZ-UHFFFAOYSA-N 2 1 298.833 3.752 20 0 CHADMP CCC[N@@H+](Cc1cc(C)c(Cl)cc1F)C1CC[NH2+]CC1 ZINC001236184316 1130881365 /nfs/dbraw/zinc/88/13/65/1130881365.db2.gz HXKQCMFMLHZPQZ-UHFFFAOYSA-N 2 1 298.833 3.752 20 0 CHADMP CCC[N@H+](Cc1c(C)cc(F)cc1Cl)C1CC[NH2+]CC1 ZINC001236185123 1130881524 /nfs/dbraw/zinc/88/15/24/1130881524.db2.gz WUYOUIGFKLSWOZ-UHFFFAOYSA-N 2 1 298.833 3.752 20 0 CHADMP CCC[N@@H+](Cc1c(C)cc(F)cc1Cl)C1CC[NH2+]CC1 ZINC001236185123 1130881530 /nfs/dbraw/zinc/88/15/30/1130881530.db2.gz WUYOUIGFKLSWOZ-UHFFFAOYSA-N 2 1 298.833 3.752 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@H]1c1c[nH]c2ccccc12 ZINC001236190812 1130883786 /nfs/dbraw/zinc/88/37/86/1130883786.db2.gz YHWXPHQEDQYHHZ-GOSISDBHSA-N 2 1 299.462 3.893 20 0 CHADMP COc1ccc2cc(C[N@H+](C)[C@H]3CCCC[C@H]3[NH3+])ccc2c1 ZINC001236210664 1130888555 /nfs/dbraw/zinc/88/85/55/1130888555.db2.gz DWRPIMUWTUXGBT-MOPGFXCFSA-N 2 1 298.430 3.550 20 0 CHADMP COc1ccc2cc(C[N@@H+](C)[C@H]3CCCC[C@H]3[NH3+])ccc2c1 ZINC001236210664 1130888562 /nfs/dbraw/zinc/88/85/62/1130888562.db2.gz DWRPIMUWTUXGBT-MOPGFXCFSA-N 2 1 298.430 3.550 20 0 CHADMP CCCCOc1cccc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC001236214195 1130889707 /nfs/dbraw/zinc/88/97/07/1130889707.db2.gz CRLRAHGUOPXRIP-MSOLQXFVSA-N 2 1 290.451 3.567 20 0 CHADMP CCCCOc1cccc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC001236214195 1130889714 /nfs/dbraw/zinc/88/97/14/1130889714.db2.gz CRLRAHGUOPXRIP-MSOLQXFVSA-N 2 1 290.451 3.567 20 0 CHADMP C[N@H+](Cc1cccc(C(C)(C)C)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236213885 1130890303 /nfs/dbraw/zinc/89/03/03/1130890303.db2.gz CEIYSXNWISSYGE-SJORKVTESA-N 2 1 274.452 3.686 20 0 CHADMP C[N@@H+](Cc1cccc(C(C)(C)C)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236213885 1130890309 /nfs/dbraw/zinc/89/03/09/1130890309.db2.gz CEIYSXNWISSYGE-SJORKVTESA-N 2 1 274.452 3.686 20 0 CHADMP C[N@@H+](Cc1cccc2c(F)cccc12)[C@H]1CCCC[C@H]1[NH3+] ZINC001236218348 1130892590 /nfs/dbraw/zinc/89/25/90/1130892590.db2.gz SHTUYXNBXWJWJZ-MSOLQXFVSA-N 2 1 286.394 3.681 20 0 CHADMP C[N@H+](Cc1csc2ccccc12)[C@H]1CCCC[C@H]1[NH3+] ZINC001236220278 1130893468 /nfs/dbraw/zinc/89/34/68/1130893468.db2.gz YRBDECHRCXURMT-CABCVRRESA-N 2 1 274.433 3.603 20 0 CHADMP C[N@@H+](Cc1csc2ccccc12)[C@H]1CCCC[C@H]1[NH3+] ZINC001236220278 1130893475 /nfs/dbraw/zinc/89/34/75/1130893475.db2.gz YRBDECHRCXURMT-CABCVRRESA-N 2 1 274.433 3.603 20 0 CHADMP CC(C)Cc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236218031 1130893551 /nfs/dbraw/zinc/89/35/51/1130893551.db2.gz RANWRIJYTBYGOH-ZWKOTPCHSA-N 2 1 274.452 3.587 20 0 CHADMP CC(C)Cc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236218031 1130893557 /nfs/dbraw/zinc/89/35/57/1130893557.db2.gz RANWRIJYTBYGOH-ZWKOTPCHSA-N 2 1 274.452 3.587 20 0 CHADMP C[N@@H+](Cc1cccc(Cl)c1Cl)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236223187 1130896631 /nfs/dbraw/zinc/89/66/31/1130896631.db2.gz NSFKFYNBKQDDBY-HAQNSBGRSA-N 2 1 287.234 3.695 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236226696 1130896943 /nfs/dbraw/zinc/89/69/43/1130896943.db2.gz RJTMPGAVPHWRAL-UHFFFAOYSA-N 2 1 280.843 3.531 20 0 CHADMP CC(C)Cc1ccc(C[N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236224067 1130897320 /nfs/dbraw/zinc/89/73/20/1130897320.db2.gz RDUFKJNCASTQJQ-IYARVYRRSA-N 2 1 274.452 3.587 20 0 CHADMP Cc1ccc([C@@H]2CCCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cc1C ZINC001236243119 1130903696 /nfs/dbraw/zinc/90/36/96/1130903696.db2.gz CGTXDAFDVSUSPV-MJGOQNOKSA-N 2 1 286.463 3.830 20 0 CHADMP C(C1CCCCC1)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373532 1130923854 /nfs/dbraw/zinc/92/38/54/1130923854.db2.gz ZCFKVBXFUNSKNS-KRWDZBQOSA-N 2 1 278.484 3.811 20 0 CHADMP COc1c(C)cc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1Cl ZINC000796725666 1130926291 /nfs/dbraw/zinc/92/62/91/1130926291.db2.gz VYOSQSTXUQBDKQ-QWHCGFSZSA-N 2 1 298.858 3.648 20 0 CHADMP CCC[C@H](C)C[N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236402208 1130928747 /nfs/dbraw/zinc/92/87/47/1130928747.db2.gz XYFRUWBBIYDPEP-HNNXBMFYSA-N 2 1 292.442 3.816 20 0 CHADMP CCC(CC)C[N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236401295 1130929035 /nfs/dbraw/zinc/92/90/35/1130929035.db2.gz NZFWKAOMBDWVIR-UHFFFAOYSA-N 2 1 292.442 3.816 20 0 CHADMP CC[N@H+](Cc1ccccc1-c1ccccc1)C[C@H]1CC[NH2+]C1 ZINC001236407440 1130931492 /nfs/dbraw/zinc/93/14/92/1130931492.db2.gz FKTMOAVZPBNWCR-KRWDZBQOSA-N 2 1 294.442 3.785 20 0 CHADMP CC[N@H+](Cc1ccc(Cl)c(C(C)C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236411052 1130931588 /nfs/dbraw/zinc/93/15/88/1130931588.db2.gz LVEKQTZTGRXBAK-OAHLLOKOSA-N 2 1 294.870 3.895 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+]1CCC[C@H]([NH3+])[C@H]1C ZINC001236421736 1130936000 /nfs/dbraw/zinc/93/60/00/1130936000.db2.gz UCWKMUJMOWRXGV-ABAIWWIYSA-N 2 1 274.433 3.521 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+]1CCC[C@H]([NH3+])[C@H]1C ZINC001236421736 1130936005 /nfs/dbraw/zinc/93/60/05/1130936005.db2.gz UCWKMUJMOWRXGV-ABAIWWIYSA-N 2 1 274.433 3.521 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3CCC[C@@H]([NH3+])[C@H]3C)cc2)c1 ZINC001236422610 1130937457 /nfs/dbraw/zinc/93/74/57/1130937457.db2.gz YRCZVRONLYAKIC-OXQOHEQNSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1cccc(-c2ccc(C[N@@H+]3CCC[C@@H]([NH3+])[C@H]3C)cc2)c1 ZINC001236422610 1130937459 /nfs/dbraw/zinc/93/74/59/1130937459.db2.gz YRCZVRONLYAKIC-OXQOHEQNSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1cc(C)cc([C@@H]2CCC[N@H+]2CC2(F)CC[NH2+]CC2)c1 ZINC001236428792 1130939047 /nfs/dbraw/zinc/93/90/47/1130939047.db2.gz NBTSUFDRMWNSQT-KRWDZBQOSA-N 2 1 290.426 3.532 20 0 CHADMP CC[C@@H](C)C[N@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001236451776 1130945182 /nfs/dbraw/zinc/94/51/82/1130945182.db2.gz VBFQPUGPCMFBPT-CQSZACIVSA-N 2 1 294.870 3.940 20 0 CHADMP CC[C@@H](C)C[N@@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001236451776 1130945184 /nfs/dbraw/zinc/94/51/84/1130945184.db2.gz VBFQPUGPCMFBPT-CQSZACIVSA-N 2 1 294.870 3.940 20 0 CHADMP Cc1ccc(F)c(C[N@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236456439 1130946757 /nfs/dbraw/zinc/94/67/57/1130946757.db2.gz FAKXBDXDFCHVET-UHFFFAOYSA-N 2 1 292.442 3.734 20 0 CHADMP Cc1ccc(F)c(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236456439 1130946762 /nfs/dbraw/zinc/94/67/62/1130946762.db2.gz FAKXBDXDFCHVET-UHFFFAOYSA-N 2 1 292.442 3.734 20 0 CHADMP CCc1ccccc1C[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236457597 1130946795 /nfs/dbraw/zinc/94/67/95/1130946795.db2.gz OMKWOQOOWDXBKY-UHFFFAOYSA-N 2 1 288.479 3.849 20 0 CHADMP CCc1cccc(C)c1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236470538 1130949166 /nfs/dbraw/zinc/94/91/66/1130949166.db2.gz JVPLQPORVMLAJK-QGZVFWFLSA-N 2 1 274.452 3.520 20 0 CHADMP CCc1cccc(C)c1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236470538 1130949169 /nfs/dbraw/zinc/94/91/69/1130949169.db2.gz JVPLQPORVMLAJK-QGZVFWFLSA-N 2 1 274.452 3.520 20 0 CHADMP CCCCC[N@@H+](Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001236481330 1130952024 /nfs/dbraw/zinc/95/20/24/1130952024.db2.gz RBZCNNQPMKVZSA-UHFFFAOYSA-N 2 1 292.442 3.878 20 0 CHADMP CC[C@H](C)C[N@@H+](Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001236481332 1130952142 /nfs/dbraw/zinc/95/21/42/1130952142.db2.gz RFYMKFGBMHOQRK-AWEZNQCLSA-N 2 1 292.442 3.734 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccc(F)c2)CC2CCC2)CC1 ZINC001236539877 1130969002 /nfs/dbraw/zinc/96/90/02/1130969002.db2.gz CMXQDILUVLFLHX-IYARVYRRSA-N 2 1 290.426 3.698 20 0 CHADMP CC(C)C[N@@H+](CCc1cccc(F)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552026 1130973158 /nfs/dbraw/zinc/97/31/58/1130973158.db2.gz UANZRGPYWIHOIV-IYARVYRRSA-N 2 1 292.442 3.596 20 0 CHADMP CCc1ccccc1C[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551343 1130973962 /nfs/dbraw/zinc/97/39/62/1130973962.db2.gz BSGSIQPZZFTDAS-WGSAOQKQSA-N 2 1 286.463 3.731 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cc3ccccc3o2)CC2CC2)CC1 ZINC001236552410 1130974912 /nfs/dbraw/zinc/97/49/12/1130974912.db2.gz KHRSKOVFIHRZKN-QAQDUYKDSA-N 2 1 298.430 3.915 20 0 CHADMP Cc1ccc(C[N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)o1 ZINC001236566361 1130976532 /nfs/dbraw/zinc/97/65/32/1130976532.db2.gz XVUGPHMWKZLWKG-JCNLHEQBSA-N 2 1 290.451 3.993 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236584858 1130980429 /nfs/dbraw/zinc/98/04/29/1130980429.db2.gz XKYXBPYHPWJYTK-DLBZAZTESA-N 2 1 278.484 3.833 20 0 CHADMP CC(C)c1ccccc1C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236636655 1130986653 /nfs/dbraw/zinc/98/66/53/1130986653.db2.gz HAJDZXCDNOFXEO-UHFFFAOYSA-N 2 1 286.463 3.917 20 0 CHADMP CCCC[N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236755907 1131005520 /nfs/dbraw/zinc/00/55/20/1131005520.db2.gz SDPNLDSFMHXQBY-QAQDUYKDSA-N 2 1 266.473 3.939 20 0 CHADMP CCC[N@@H+](C[C@@H](C)CCC=C(C)C)C[C@H]1CC[NH2+]C1 ZINC001236827758 1131013492 /nfs/dbraw/zinc/01/34/92/1131013492.db2.gz GOFBZGFJALAJAY-IRXDYDNUSA-N 2 1 266.473 3.690 20 0 CHADMP CCC[N@@H+](CC[C@@H](C)CC(C)(C)C)C[C@H]1CC[NH2+]C1 ZINC001236830735 1131015600 /nfs/dbraw/zinc/01/56/00/1131015600.db2.gz OGMWXBSFAZPJLO-CVEARBPZSA-N 2 1 268.489 3.770 20 0 CHADMP CC(C)c1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1Cl ZINC001236828393 1131016623 /nfs/dbraw/zinc/01/66/23/1131016623.db2.gz IOPSAWYOTJOVCM-QRTARXTBSA-N 2 1 292.854 3.633 20 0 CHADMP CCC[N@H+](Cc1c(C)cc(Cl)cc1C)C[C@H]1CC[NH2+]C1 ZINC001236842947 1131020528 /nfs/dbraw/zinc/02/05/28/1131020528.db2.gz IGNAZSXHRNHDDX-HNNXBMFYSA-N 2 1 294.870 3.778 20 0 CHADMP CCC[N@@H+](Cc1ccc(F)c(C)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236843228 1131021152 /nfs/dbraw/zinc/02/11/52/1131021152.db2.gz LWRXBMMWXXFHMA-CYBMUJFWSA-N 2 1 298.833 3.609 20 0 CHADMP CCC[N@H+](Cc1ccc(F)c(C)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236843228 1131021158 /nfs/dbraw/zinc/02/11/58/1131021158.db2.gz LWRXBMMWXXFHMA-CYBMUJFWSA-N 2 1 298.833 3.609 20 0 CHADMP CCC[N@@H+](Cc1ccc(Cl)c(C)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236843622 1131021624 /nfs/dbraw/zinc/02/16/24/1131021624.db2.gz LDHFNOWTGGMBTF-CYBMUJFWSA-N 2 1 298.833 3.609 20 0 CHADMP CCC[N@H+](Cc1ccc(Cl)c(C)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236843622 1131021630 /nfs/dbraw/zinc/02/16/30/1131021630.db2.gz LDHFNOWTGGMBTF-CYBMUJFWSA-N 2 1 298.833 3.609 20 0 CHADMP CC(C)[N@@H+](CC1(F)CC[NH2+]CC1)[C@@H](C)c1ccccc1 ZINC001236861307 1131024450 /nfs/dbraw/zinc/02/44/50/1131024450.db2.gz ZZGGMOUZGZJQLU-HNNXBMFYSA-N 2 1 278.415 3.550 20 0 CHADMP C[C@@]1(C[NH3+])CCC[N@@H+](CC2(c3ccccc3)CCCC2)C1 ZINC001237059201 1131043616 /nfs/dbraw/zinc/04/36/16/1131043616.db2.gz RQISVIOXDBQETM-SFHVURJKSA-N 2 1 286.463 3.559 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001237059855 1131044288 /nfs/dbraw/zinc/04/42/88/1131044288.db2.gz WIHNTINZFSCZJD-GOSISDBHSA-N 2 1 286.394 3.540 20 0 CHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001237083185 1131047412 /nfs/dbraw/zinc/04/74/12/1131047412.db2.gz WXDJPAMDNUNLAN-SFHVURJKSA-N 2 1 272.436 3.515 20 0 CHADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(Cl)cccc1Cl ZINC001237081270 1131047455 /nfs/dbraw/zinc/04/74/55/1131047455.db2.gz KBFFHTUVKKFAGG-YOGCLGLASA-N 2 1 299.245 3.695 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)cc1 ZINC001237080153 1131047961 /nfs/dbraw/zinc/04/79/61/1131047961.db2.gz DESLULZCWGPKSQ-LJQANCHMSA-N 2 1 288.479 3.935 20 0 CHADMP c1ccc(C2CC2)c(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237153389 1131059966 /nfs/dbraw/zinc/05/99/66/1131059966.db2.gz DHPWBHNSFOHBQD-GOSISDBHSA-N 2 1 284.447 3.671 20 0 CHADMP c1ccc(C2CC2)c(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237153389 1131059972 /nfs/dbraw/zinc/05/99/72/1131059972.db2.gz DHPWBHNSFOHBQD-GOSISDBHSA-N 2 1 284.447 3.671 20 0 CHADMP c1cc2c(cccc2C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)o1 ZINC001237155237 1131060577 /nfs/dbraw/zinc/06/05/77/1131060577.db2.gz HMGRUQXXVUTJMZ-MRXNPFEDSA-N 2 1 284.403 3.539 20 0 CHADMP c1cc2c(cccc2C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)o1 ZINC001237155237 1131060581 /nfs/dbraw/zinc/06/05/81/1131060581.db2.gz HMGRUQXXVUTJMZ-MRXNPFEDSA-N 2 1 284.403 3.539 20 0 CHADMP C[C@H]1CCCC[C@H]1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798956971 1131064770 /nfs/dbraw/zinc/06/47/70/1131064770.db2.gz SCCZZCFTCWPSKB-IRXDYDNUSA-N 2 1 278.484 3.621 20 0 CHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000798957455 1131065353 /nfs/dbraw/zinc/06/53/53/1131065353.db2.gz XRCQLKQHZXFZON-UHFFFAOYSA-N 2 1 292.854 3.648 20 0 CHADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001237204033 1131071479 /nfs/dbraw/zinc/07/14/79/1131071479.db2.gz PPUDILABHQPAHS-RKVPGOIHSA-N 2 1 288.479 3.584 20 0 CHADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001237204033 1131071486 /nfs/dbraw/zinc/07/14/86/1131071486.db2.gz PPUDILABHQPAHS-RKVPGOIHSA-N 2 1 288.479 3.584 20 0 CHADMP Cc1ccccc1[C@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799179118 1131074806 /nfs/dbraw/zinc/07/48/06/1131074806.db2.gz CTGUQGHRVZOHLA-KRWDZBQOSA-N 2 1 286.463 3.864 20 0 CHADMP Cc1c(Cl)ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1C ZINC001237416034 1131097006 /nfs/dbraw/zinc/09/70/06/1131097006.db2.gz REULXDPRGZFTTH-RDJZCZTQSA-N 2 1 292.854 3.531 20 0 CHADMP Cc1c(Cl)ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1C ZINC001237416034 1131097012 /nfs/dbraw/zinc/09/70/12/1131097012.db2.gz REULXDPRGZFTTH-RDJZCZTQSA-N 2 1 292.854 3.531 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(C)c(C)cc2C)C1 ZINC001116289599 1131138640 /nfs/dbraw/zinc/13/86/40/1131138640.db2.gz XSDCRDUUEDDLFF-QZTJIDSGSA-N 2 1 288.479 3.994 20 0 CHADMP C[N@H+]1CCC[C@@]2(CCC[NH+](CC3(C)CCCCC3)C2)C1 ZINC001278149799 1131142806 /nfs/dbraw/zinc/14/28/06/1131142806.db2.gz NTNFQSRAMZEFEG-GOSISDBHSA-N 2 1 278.484 3.765 20 0 CHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@@H]4C[C@@H]43)cc21 ZINC001237889806 1131148947 /nfs/dbraw/zinc/14/89/47/1131148947.db2.gz OHKVRSHJLQYSBI-AEFFLSMTSA-N 2 1 282.431 3.672 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C)C1CCC(F)(F)CC1 ZINC001116861434 1131167566 /nfs/dbraw/zinc/16/75/66/1131167566.db2.gz RFABBGZWEMKILX-CFVMTHIKSA-N 2 1 288.426 3.663 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118198868 1131214865 /nfs/dbraw/zinc/21/48/65/1131214865.db2.gz XCBDPLBUJIHGHX-CQSZACIVSA-N 2 1 292.854 3.867 20 0 CHADMP COc1c(C)cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC000818614658 1131218741 /nfs/dbraw/zinc/21/87/41/1131218741.db2.gz DMVIXTGLAXFGGX-NILFDRSVSA-N 2 1 296.842 3.578 20 0 CHADMP CC1(C[NH3+])C[NH+](Cc2cccc3c4ccccc4sc32)C1 ZINC001206723302 1131494304 /nfs/dbraw/zinc/49/43/04/1131494304.db2.gz OBDCIHLXBVUHRL-UHFFFAOYSA-N 2 1 296.439 3.835 20 0 CHADMP CCC[NH+](CCC)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138543131 1131518777 /nfs/dbraw/zinc/51/87/77/1131518777.db2.gz LBLXUTSTJINIBK-UHFFFAOYSA-N 2 1 271.408 3.803 20 0 CHADMP CC(C)=CCC[C@@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001246522264 1131547395 /nfs/dbraw/zinc/54/73/95/1131547395.db2.gz JCWJLFHNJSSBPL-MRXNPFEDSA-N 2 1 264.457 3.587 20 0 CHADMP CC[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(C)c2)C[C@H](CC)[NH2+]1 ZINC001246523485 1131549165 /nfs/dbraw/zinc/54/91/65/1131549165.db2.gz BPWVSLCNHSENOJ-PIIMJCKOSA-N 2 1 274.452 3.736 20 0 CHADMP CCC[N@@H+]([C@@H](C)CC)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246526870 1131553748 /nfs/dbraw/zinc/55/37/48/1131553748.db2.gz DBTRRMYSNCEPLO-GTPINHCMSA-N 2 1 266.473 3.809 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc(OC(C)C)c1 ZINC001138987532 1131568167 /nfs/dbraw/zinc/56/81/67/1131568167.db2.gz UFGQTEHKTJFDGP-UHFFFAOYSA-N 2 1 292.467 3.638 20 0 CHADMP CCCCC[C@H](CCC)[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001246564306 1131628430 /nfs/dbraw/zinc/62/84/30/1131628430.db2.gz MNHZRLPECFKWPV-PMPSAXMXSA-N 2 1 254.462 3.795 20 0 CHADMP CCCC[C@H](CC(C)C)[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001246566718 1131633645 /nfs/dbraw/zinc/63/36/45/1131633645.db2.gz UYZUMAIXQIOVLP-HRCADAONSA-N 2 1 254.462 3.651 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246570720 1131643258 /nfs/dbraw/zinc/64/32/58/1131643258.db2.gz UWCCBNLRTUPGLN-LUKYLMHMSA-N 2 1 268.489 3.898 20 0 CHADMP CCCC[C@@H]1C[C@H]([N@H+]2CCCC[C@](C)(F)C2)CC[NH2+]1 ZINC001246576877 1131661976 /nfs/dbraw/zinc/66/19/76/1131661976.db2.gz PXORDXPDGCCTJE-OAGGEKHMSA-N 2 1 270.436 3.511 20 0 CHADMP CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000845925832 1131671259 /nfs/dbraw/zinc/67/12/59/1131671259.db2.gz ASZBJIZKGGGNCO-FUHWJXTLSA-N 2 1 298.434 3.634 20 0 CHADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246578304 1131671285 /nfs/dbraw/zinc/67/12/85/1131671285.db2.gz AQKITJLULWSGHZ-PBHICJAKSA-N 2 1 294.870 3.722 20 0 CHADMP CC[C@H](C)C[C@H](CC)[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246586308 1131694040 /nfs/dbraw/zinc/69/40/40/1131694040.db2.gz SYWBUYFTXOJCRV-JYJNAYRXSA-N 2 1 254.462 3.652 20 0 CHADMP CC[C@H](C[C@@H](C)CC)[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246586313 1131693619 /nfs/dbraw/zinc/69/36/19/1131693619.db2.gz SYWBUYFTXOJCRV-XHSDSOJGSA-N 2 1 254.462 3.652 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000846219160 1131700452 /nfs/dbraw/zinc/70/04/52/1131700452.db2.gz IRENUUPKLMOVEM-INIZCTEOSA-N 2 1 292.492 3.620 20 0 CHADMP [NH3+]CCCCCC[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000846219161 1131700710 /nfs/dbraw/zinc/70/07/10/1131700710.db2.gz IRENUUPKLMOVEM-MRXNPFEDSA-N 2 1 292.492 3.620 20 0 CHADMP C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CCCCCC[NH3+])C1 ZINC000846219018 1131700871 /nfs/dbraw/zinc/70/08/71/1131700871.db2.gz CTQUWGRAYIWTQT-YOEHRIQHSA-N 2 1 278.415 3.728 20 0 CHADMP CC(C)C[N@@H+](C)CCC[NH2+]C1CCC(C(C)C)CC1 ZINC001203032113 1131712045 /nfs/dbraw/zinc/71/20/45/1131712045.db2.gz NMKWTYWBGVTKLC-UHFFFAOYSA-N 2 1 268.489 3.769 20 0 CHADMP CC(C)C[N@@H+](C)CCC[NH2+]C1CCC(C2CCC2)CC1 ZINC001203032641 1131713269 /nfs/dbraw/zinc/71/32/69/1131713269.db2.gz RLJWFXSLWPXMGG-UHFFFAOYSA-N 2 1 280.500 3.913 20 0 CHADMP CCCCC[C@H](C)[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246629069 1131736358 /nfs/dbraw/zinc/73/63/58/1131736358.db2.gz DLOQGZWTNSCSKB-JKSUJKDBSA-N 2 1 252.446 3.563 20 0 CHADMP CCCCCC(CCCCC)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001246631541 1131742824 /nfs/dbraw/zinc/74/28/24/1131742824.db2.gz RGBCKAYWDDJMOF-IRXDYDNUSA-N 2 1 266.473 3.952 20 0 CHADMP CCCCCC(CCCCC)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001246631541 1131742828 /nfs/dbraw/zinc/74/28/28/1131742828.db2.gz RGBCKAYWDDJMOF-IRXDYDNUSA-N 2 1 266.473 3.952 20 0 CHADMP CC(C)CCC[C@@H](C)[N@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001246641711 1131766114 /nfs/dbraw/zinc/76/61/14/1131766114.db2.gz XEAHINOTJJFUOK-HUUCEWRRSA-N 2 1 288.426 3.522 20 0 CHADMP CCCCCC1CCC([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC001246665291 1131778751 /nfs/dbraw/zinc/77/87/51/1131778751.db2.gz ZBOITYBYGYIDPB-IKJBURDNSA-N 2 1 278.484 3.809 20 0 CHADMP CCCCCC1CCC([N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC001246665291 1131778760 /nfs/dbraw/zinc/77/87/60/1131778760.db2.gz ZBOITYBYGYIDPB-IKJBURDNSA-N 2 1 278.484 3.809 20 0 CHADMP CC[C@H](C)C[C@H](CC)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001246676514 1131779444 /nfs/dbraw/zinc/77/94/44/1131779444.db2.gz BYNQIABUVVMHIZ-MLHJIOFPSA-N 2 1 280.500 3.913 20 0 CHADMP CCC[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246776638 1131781042 /nfs/dbraw/zinc/78/10/42/1131781042.db2.gz LITAGRPVHPVJCC-ZWKOTPCHSA-N 2 1 274.452 3.675 20 0 CHADMP Cc1ccc(C[N@H+](C)[C@H]2CC[NH2+][C@H](C(C)(C)C)C2)cc1 ZINC001246771427 1131781503 /nfs/dbraw/zinc/78/15/03/1131781503.db2.gz YSRCCSAIVGVQRN-IRXDYDNUSA-N 2 1 274.452 3.594 20 0 CHADMP CCC[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246776636 1131781715 /nfs/dbraw/zinc/78/17/15/1131781715.db2.gz LITAGRPVHPVJCC-ROUUACIJSA-N 2 1 274.452 3.675 20 0 CHADMP CCCCCC[C@@H](CC)[N@@H+](CC)C1CC[NH2+]CC1 ZINC001246797405 1131784514 /nfs/dbraw/zinc/78/45/14/1131784514.db2.gz PNNPGIDNHLVTDJ-OAHLLOKOSA-N 2 1 254.462 3.809 20 0 CHADMP CCC[N@@H+](CC(C)C)C1C[C@H](CC)[NH2+][C@@H](CC)C1 ZINC001246912756 1131814641 /nfs/dbraw/zinc/81/46/41/1131814641.db2.gz SRDDMFJPVFFWRJ-GJZGRUSLSA-N 2 1 254.462 3.664 20 0 CHADMP CCCC[C@H](CC(C)C)[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001247004638 1131839389 /nfs/dbraw/zinc/83/93/89/1131839389.db2.gz SBONIKCAKODXJC-HZPDHXFCSA-N 2 1 254.462 3.652 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC001140803135 1131927352 /nfs/dbraw/zinc/92/73/52/1131927352.db2.gz LHNJOVFNHWYCCC-INIZCTEOSA-N 2 1 291.398 3.943 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC001140803135 1131927358 /nfs/dbraw/zinc/92/73/58/1131927358.db2.gz LHNJOVFNHWYCCC-INIZCTEOSA-N 2 1 291.398 3.943 20 0 CHADMP C=C/C=C\CC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000713679420 1131966268 /nfs/dbraw/zinc/96/62/68/1131966268.db2.gz NUMSFIGZQPFJKZ-JSDWAPGTSA-N 2 1 284.447 3.619 20 0 CHADMP c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]([NH2+][C@@H]2CC=CCC2)C3)cc1 ZINC000716627726 1132028853 /nfs/dbraw/zinc/02/88/53/1132028853.db2.gz UAEDTMCYAWTRGH-YRPNKDGESA-N 2 1 296.458 3.738 20 0 CHADMP C1=C(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCC1 ZINC000716639555 1132028930 /nfs/dbraw/zinc/02/89/30/1132028930.db2.gz TZWBSRLMPSBRIL-UFYCRDLUSA-N 2 1 296.458 3.739 20 0 CHADMP CCc1ccccc1C[NH+]1CCC([NH+](CC)CC)CC1 ZINC001141226649 1132048187 /nfs/dbraw/zinc/04/81/87/1132048187.db2.gz GGJIFFUAFXYVKK-UHFFFAOYSA-N 2 1 274.452 3.555 20 0 CHADMP Cc1ccc(CC[C@H](C)[N@@H+](C)C2CCC([NH3+])CC2)cc1 ZINC001171659955 1132071012 /nfs/dbraw/zinc/07/10/12/1132071012.db2.gz HJJYKASJKMZGMF-ZLPCBKJTSA-N 2 1 274.452 3.518 20 0 CHADMP C[NH+]1C(C)(C)CC([N@@H+]2Cc3cccc(F)c3C2)CC1(C)C ZINC001171639235 1132082004 /nfs/dbraw/zinc/08/20/04/1132082004.db2.gz ARCVMJLXWITWHG-UHFFFAOYSA-N 2 1 290.426 3.793 20 0 CHADMP C[NH+]1C(C)(C)CC([N@H+]2Cc3cccc(F)c3C2)CC1(C)C ZINC001171639235 1132082010 /nfs/dbraw/zinc/08/20/10/1132082010.db2.gz ARCVMJLXWITWHG-UHFFFAOYSA-N 2 1 290.426 3.793 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](Oc2cccc([C@@H](C)[NH+](C)C)c2)C1 ZINC001229621135 1132096971 /nfs/dbraw/zinc/09/69/71/1132096971.db2.gz FDQRSWWBKVFDHX-CRAIPNDOSA-N 2 1 290.451 3.561 20 0 CHADMP CC1(C)C[C@H]([NH2+]C2CC(F)C2)CC[N@H+]1Cc1ccccc1 ZINC001171964011 1132113362 /nfs/dbraw/zinc/11/33/62/1132113362.db2.gz JRYDTSVAQDNKQL-AQFXKWCLSA-N 2 1 290.426 3.520 20 0 CHADMP CC1(C)C[C@@H]([NH2+]CCC2CC2)CC[N@H+]1Cc1ccccc1 ZINC001171972311 1132117232 /nfs/dbraw/zinc/11/72/32/1132117232.db2.gz PVPHFBHDLGUSCS-SFHVURJKSA-N 2 1 286.463 3.819 20 0 CHADMP C1=CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172062549 1132125549 /nfs/dbraw/zinc/12/55/49/1132125549.db2.gz PIWLCQAKGKDHKX-OWZKRDHZSA-N 2 1 296.458 3.880 20 0 CHADMP CC(C)(C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172064936 1132125610 /nfs/dbraw/zinc/12/56/10/1132125610.db2.gz JATBBCZKXDBJGQ-BCDXTJNWSA-N 2 1 286.463 3.960 20 0 CHADMP CC(C)(C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172064936 1132125615 /nfs/dbraw/zinc/12/56/15/1132125615.db2.gz JATBBCZKXDBJGQ-BCDXTJNWSA-N 2 1 286.463 3.960 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)C2 ZINC001172099559 1132125647 /nfs/dbraw/zinc/12/56/47/1132125647.db2.gz LBZXOENRMUCETF-MUJYYYPQSA-N 2 1 294.389 3.729 20 0 CHADMP Cc1cccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172100220 1132126094 /nfs/dbraw/zinc/12/60/94/1132126094.db2.gz BIYNADVETDPSBW-DDBAPUKQSA-N 2 1 272.436 3.661 20 0 CHADMP Cc1cccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172100220 1132126099 /nfs/dbraw/zinc/12/60/99/1132126099.db2.gz BIYNADVETDPSBW-DDBAPUKQSA-N 2 1 272.436 3.661 20 0 CHADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC001172068471 1132126182 /nfs/dbraw/zinc/12/61/82/1132126182.db2.gz QXWVAAOPVXRHIZ-QLIIJSOBSA-N 2 1 298.474 3.960 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)C2 ZINC001172099551 1132126398 /nfs/dbraw/zinc/12/63/98/1132126398.db2.gz LAYSTKYOQUMMGZ-FCGDIQPGSA-N 2 1 284.447 3.743 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)C2 ZINC001172099551 1132126402 /nfs/dbraw/zinc/12/64/02/1132126402.db2.gz LAYSTKYOQUMMGZ-FCGDIQPGSA-N 2 1 284.447 3.743 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(F)c1 ZINC001172107595 1132129370 /nfs/dbraw/zinc/12/93/70/1132129370.db2.gz FPFSCUJUAXIAIS-ZJPYXAASSA-N 2 1 290.426 3.882 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC001172107595 1132129373 /nfs/dbraw/zinc/12/93/73/1132129373.db2.gz FPFSCUJUAXIAIS-ZJPYXAASSA-N 2 1 290.426 3.882 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c2ccccc21 ZINC001172105950 1132129501 /nfs/dbraw/zinc/12/95/01/1132129501.db2.gz LNWCGVFRWDNKLH-GMKVZWAMSA-N 2 1 284.447 3.840 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC001172105950 1132129507 /nfs/dbraw/zinc/12/95/07/1132129507.db2.gz LNWCGVFRWDNKLH-GMKVZWAMSA-N 2 1 284.447 3.840 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCCc1ccccc1)C2 ZINC001172112774 1132130250 /nfs/dbraw/zinc/13/02/50/1132130250.db2.gz ACADQMCNTAEGSZ-REPLKXPHSA-N 2 1 286.463 3.614 20 0 CHADMP CCCCCC[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172105809 1132130657 /nfs/dbraw/zinc/13/06/57/1132130657.db2.gz KRRIDPYFDRGVAW-NXOAAHMSSA-N 2 1 266.473 3.950 20 0 CHADMP CCCCCC[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172105809 1132130663 /nfs/dbraw/zinc/13/06/63/1132130663.db2.gz KRRIDPYFDRGVAW-NXOAAHMSSA-N 2 1 266.473 3.950 20 0 CHADMP CC(C)c1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172102697 1132130838 /nfs/dbraw/zinc/13/08/38/1132130838.db2.gz OINBHHCNJNKYFC-LDLYASANSA-N 2 1 286.463 3.915 20 0 CHADMP CC[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCCCC1 ZINC001172109441 1132130997 /nfs/dbraw/zinc/13/09/97/1132130997.db2.gz GXJDWJRMNKUXFQ-MHORFTMASA-N 2 1 278.484 3.950 20 0 CHADMP CC[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC001172109441 1132130999 /nfs/dbraw/zinc/13/09/99/1132130999.db2.gz GXJDWJRMNKUXFQ-MHORFTMASA-N 2 1 278.484 3.950 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CC(F)(F)C3)CC1)C2 ZINC001172116883 1132132974 /nfs/dbraw/zinc/13/29/74/1132132974.db2.gz DPEXTJUWFZEENA-FICVDOATSA-N 2 1 298.421 3.513 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CC(F)(F)C3)CC1)C2 ZINC001172116883 1132132978 /nfs/dbraw/zinc/13/29/78/1132132978.db2.gz DPEXTJUWFZEENA-FICVDOATSA-N 2 1 298.421 3.513 20 0 CHADMP C[N@H+](CCCc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120076 1132134494 /nfs/dbraw/zinc/13/44/94/1132134494.db2.gz CBBDIWDXHLVJSF-REPLKXPHSA-N 2 1 286.463 3.566 20 0 CHADMP C[N@@H+](CCCc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120076 1132134497 /nfs/dbraw/zinc/13/44/97/1132134497.db2.gz CBBDIWDXHLVJSF-REPLKXPHSA-N 2 1 286.463 3.566 20 0 CHADMP C[NH+](CCCc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172120076 1132134498 /nfs/dbraw/zinc/13/44/98/1132134498.db2.gz CBBDIWDXHLVJSF-REPLKXPHSA-N 2 1 286.463 3.566 20 0 CHADMP C[NH+](CCCc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172120076 1132134501 /nfs/dbraw/zinc/13/45/01/1132134501.db2.gz CBBDIWDXHLVJSF-REPLKXPHSA-N 2 1 286.463 3.566 20 0 CHADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)Cc2ccccc21 ZINC001172114253 1132134623 /nfs/dbraw/zinc/13/46/23/1132134623.db2.gz PPDNOSJCARMJQA-BGTYHANMSA-N 2 1 284.447 3.621 20 0 CHADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)Cc2ccccc21 ZINC001172114253 1132134626 /nfs/dbraw/zinc/13/46/26/1132134626.db2.gz PPDNOSJCARMJQA-BGTYHANMSA-N 2 1 284.447 3.621 20 0 CHADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)Cc2ccccc21 ZINC001172114253 1132134630 /nfs/dbraw/zinc/13/46/30/1132134630.db2.gz PPDNOSJCARMJQA-BGTYHANMSA-N 2 1 284.447 3.621 20 0 CHADMP Cc1ccc(C[N@@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1C ZINC001172122367 1132136388 /nfs/dbraw/zinc/13/63/88/1132136388.db2.gz AGEQZCVMKLEAOW-BWTSREIZSA-N 2 1 286.463 3.751 20 0 CHADMP Cc1ccc(C[N@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1C ZINC001172122367 1132136390 /nfs/dbraw/zinc/13/63/90/1132136390.db2.gz AGEQZCVMKLEAOW-BWTSREIZSA-N 2 1 286.463 3.751 20 0 CHADMP Cc1ccc(C[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1C ZINC001172122367 1132136394 /nfs/dbraw/zinc/13/63/94/1132136394.db2.gz AGEQZCVMKLEAOW-BWTSREIZSA-N 2 1 286.463 3.751 20 0 CHADMP Cc1ccc(C[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C ZINC001172122367 1132136397 /nfs/dbraw/zinc/13/63/97/1132136397.db2.gz AGEQZCVMKLEAOW-BWTSREIZSA-N 2 1 286.463 3.751 20 0 CHADMP CCCCCC[C@H](CCC)n1c[nH+]cc1CC[NH3+] ZINC001172379066 1132169996 /nfs/dbraw/zinc/16/99/96/1132169996.db2.gz QKMAMHWQVDNPOI-AWEZNQCLSA-N 2 1 251.418 3.696 20 0 CHADMP CC[C@H](C)OCC[C@H](C)[N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172338333 1132174905 /nfs/dbraw/zinc/17/49/05/1132174905.db2.gz YIZAKVXHICLCAU-QAETUUGQSA-N 2 1 284.488 3.560 20 0 CHADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@@H](C)[C@@H](C)C2)[C@H](C)C1 ZINC001172365725 1132191906 /nfs/dbraw/zinc/19/19/06/1132191906.db2.gz CVKOQERFWFOAPG-BPKGMFCQSA-N 2 1 266.473 3.520 20 0 CHADMP CC[C@H](CC(C)C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC001172390262 1132214811 /nfs/dbraw/zinc/21/48/11/1132214811.db2.gz SIGCFIWFZNPWEU-HZPDHXFCSA-N 2 1 254.462 3.665 20 0 CHADMP CCOCC[C@@H](C)[N@@H+](C(CC)CC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172415433 1132202021 /nfs/dbraw/zinc/20/20/21/1132202021.db2.gz ZIFQYLWCCZGTJL-BFYDXBDKSA-N 2 1 284.488 3.562 20 0 CHADMP CC[C@@H](CC(C)C)[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001172391514 1132215816 /nfs/dbraw/zinc/21/58/16/1132215816.db2.gz HVFSMTWJFJIHRX-INDMIFKZSA-N 2 1 286.463 3.531 20 0 CHADMP CC[C@@H](CC(C)C)[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001172391514 1132215822 /nfs/dbraw/zinc/21/58/22/1132215822.db2.gz HVFSMTWJFJIHRX-INDMIFKZSA-N 2 1 286.463 3.531 20 0 CHADMP CC[C@H](CC(C)C)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172400752 1132222071 /nfs/dbraw/zinc/22/20/71/1132222071.db2.gz OBHKDZPAWJHMBJ-BRWVUGGUSA-N 2 1 266.473 3.793 20 0 CHADMP CC[C@H](CC(C)C)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172401996 1132223448 /nfs/dbraw/zinc/22/34/48/1132223448.db2.gz RLJXOMKOEQVBTM-BFYDXBDKSA-N 2 1 266.473 3.936 20 0 CHADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172549943 1132262116 /nfs/dbraw/zinc/26/21/16/1132262116.db2.gz ROKIESCWPFKZAQ-ZRNYENFQSA-N 2 1 298.474 3.596 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172544015 1132279274 /nfs/dbraw/zinc/27/92/74/1132279274.db2.gz VSPIHPDYLOYEOA-QRVBRYPASA-N 2 1 286.463 3.787 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172649638 1132287815 /nfs/dbraw/zinc/28/78/15/1132287815.db2.gz RIARWRITCGSBLN-HNNXBMFYSA-N 2 1 296.499 3.577 20 0 CHADMP CCC[N@@H+]1C[C@@H]2C[NH+](C3CCC4(CCCC4)CC3)C[C@@H]2C1 ZINC001172730291 1132303538 /nfs/dbraw/zinc/30/35/38/1132303538.db2.gz CNDDVJIDXZHYKY-CALCHBBNSA-N 2 1 290.495 3.763 20 0 CHADMP CCC[NH+]1C[C@@H]2C[N@H+](C3CCC4(CCCC4)CC3)C[C@@H]2C1 ZINC001172730291 1132303544 /nfs/dbraw/zinc/30/35/44/1132303544.db2.gz CNDDVJIDXZHYKY-CALCHBBNSA-N 2 1 290.495 3.763 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)o1 ZINC001231594884 1132320450 /nfs/dbraw/zinc/32/04/50/1132320450.db2.gz MBXONLDCZUETQT-UHFFFAOYSA-N 2 1 286.419 3.639 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)o1 ZINC001231594884 1132320455 /nfs/dbraw/zinc/32/04/55/1132320455.db2.gz MBXONLDCZUETQT-UHFFFAOYSA-N 2 1 286.419 3.639 20 0 CHADMP C[C@H](Cc1c(F)cccc1Cl)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001172841253 1132333752 /nfs/dbraw/zinc/33/37/52/1132333752.db2.gz JJDBHGPGGRZASJ-PNESKVBLSA-N 2 1 298.833 3.612 20 0 CHADMP CC(C)c1ccccc1C[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001231877779 1132388018 /nfs/dbraw/zinc/38/80/18/1132388018.db2.gz UUGWIPMTZCMXHZ-UHFFFAOYSA-N 2 1 286.463 3.869 20 0 CHADMP CC(C)c1ccccc1C[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001231877779 1132388028 /nfs/dbraw/zinc/38/80/28/1132388028.db2.gz UUGWIPMTZCMXHZ-UHFFFAOYSA-N 2 1 286.463 3.869 20 0 CHADMP C[N@H+]1CCC[C@@H]([NH2+]C2CCC3(CCCCC3)CC2)CC1 ZINC001173114910 1132393270 /nfs/dbraw/zinc/39/32/70/1132393270.db2.gz LHKLPEQXXYMDMU-MRXNPFEDSA-N 2 1 278.484 3.953 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@](C)(F)CC2)CC1 ZINC001173110858 1132393520 /nfs/dbraw/zinc/39/35/20/1132393520.db2.gz ZGTCRIBYBQEVTB-OFLPRAFFSA-N 2 1 284.463 3.854 20 0 CHADMP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1ccc(Cl)cc1 ZINC001232014901 1132410467 /nfs/dbraw/zinc/41/04/67/1132410467.db2.gz XDCQLLJVHRZTGD-UHFFFAOYSA-N 2 1 285.778 3.848 20 0 CHADMP CCc1ccc(C[C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001173235732 1132415670 /nfs/dbraw/zinc/41/56/70/1132415670.db2.gz OPACEIMOPSLQIH-APWZRJJASA-N 2 1 288.479 3.502 20 0 CHADMP CCCC[C@H](CC(C)C)[NH2+]C1CC[NH+](CC)CC1 ZINC001173247772 1132418994 /nfs/dbraw/zinc/41/89/94/1132418994.db2.gz YKNMIMZDJPPKPB-MRXNPFEDSA-N 2 1 254.462 3.665 20 0 CHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+](C)Cc2cccs2)c1 ZINC001232147337 1132427535 /nfs/dbraw/zinc/42/75/35/1132427535.db2.gz OYNBDXTVATWGHG-UHFFFAOYSA-N 2 1 292.423 3.581 20 0 CHADMP CCC[N@H+](Cc1cc(F)cc(C[NH+](C)C)c1)CC1CC1 ZINC001232143377 1132428493 /nfs/dbraw/zinc/42/84/93/1132428493.db2.gz BVSVOWKYQUCQQZ-UHFFFAOYSA-N 2 1 278.415 3.509 20 0 CHADMP CC[C@H]1CC[C@@H]([NH2+]C2CCN(c3[nH+]cccc3C)CC2)C1 ZINC001173262199 1132430925 /nfs/dbraw/zinc/43/09/25/1132430925.db2.gz CADGUPNTNPKUGU-DOTOQJQBSA-N 2 1 287.451 3.527 20 0 CHADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000842471711 1132432880 /nfs/dbraw/zinc/43/28/80/1132432880.db2.gz UXQBIZYRCUAMPY-KRWDZBQOSA-N 2 1 278.415 3.872 20 0 CHADMP CC[C@H]1CC[C@H]([N@@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173272535 1132437759 /nfs/dbraw/zinc/43/77/59/1132437759.db2.gz VQSWWLWDTKWKBR-VGWMRTNUSA-N 2 1 252.446 3.545 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1(C)CC1 ZINC000842672812 1132449399 /nfs/dbraw/zinc/44/93/99/1132449399.db2.gz CZECOIVSMLGIES-FUHWJXTLSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1(C)CC1 ZINC000842672812 1132449400 /nfs/dbraw/zinc/44/94/00/1132449400.db2.gz CZECOIVSMLGIES-FUHWJXTLSA-N 2 1 298.474 3.962 20 0 CHADMP CC[C@@H]1CC[C@@H]([NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)C1 ZINC001173276535 1132452248 /nfs/dbraw/zinc/45/22/48/1132452248.db2.gz IRLDXYIZCBIUIP-HZPDHXFCSA-N 2 1 287.451 3.508 20 0 CHADMP CC[C@@H]1CC[C@H]([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)C1 ZINC001173281577 1132453005 /nfs/dbraw/zinc/45/30/05/1132453005.db2.gz TZSHTKADVBBTJQ-KURKYZTESA-N 2 1 278.484 3.906 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842699847 1132453300 /nfs/dbraw/zinc/45/33/00/1132453300.db2.gz FJKYPBMTLCGBAF-QRQLOZEOSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842699847 1132453303 /nfs/dbraw/zinc/45/33/03/1132453303.db2.gz FJKYPBMTLCGBAF-QRQLOZEOSA-N 2 1 298.474 3.962 20 0 CHADMP CC[C@@H]1CC[C@@H]([N@@H+](C)CC2CC[NH+](C(C)C)CC2)C1 ZINC001173277974 1132453737 /nfs/dbraw/zinc/45/37/37/1132453737.db2.gz GWLWPUDRCQXGSE-NVXWUHKLSA-N 2 1 266.473 3.617 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001173341981 1132468610 /nfs/dbraw/zinc/46/86/10/1132468610.db2.gz UKWXUEAQWNYKAL-IAGOWNOFSA-N 2 1 278.484 3.953 20 0 CHADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCC3(CCCCC3)C2)CC1 ZINC001173349660 1132474488 /nfs/dbraw/zinc/47/44/88/1132474488.db2.gz SIXUUBRHCWCCBP-DLBZAZTESA-N 2 1 278.484 3.953 20 0 CHADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(-c2ccccc2)o1 ZINC000843053396 1132494820 /nfs/dbraw/zinc/49/48/20/1132494820.db2.gz LDOCYNHTFSFZRB-ALOPSCKCSA-N 2 1 296.414 3.791 20 0 CHADMP Cc1c[nH+]c(Nc2ccccc2C[NH+](C)C)c(C)c1 ZINC001173930058 1132643103 /nfs/dbraw/zinc/64/31/03/1132643103.db2.gz OGHDIVBFZWZUSB-UHFFFAOYSA-N 2 1 255.365 3.504 20 0 CHADMP Cc1c(C)n(-c2cc3[nH]ccc3c[nH+]2)c2ccc(C[NH3+])cc12 ZINC001155903137 1132671319 /nfs/dbraw/zinc/67/13/19/1132671319.db2.gz HMXJFRBUVKVOLJ-UHFFFAOYSA-N 2 1 290.370 3.582 20 0 CHADMP CC(C)c1ccc(NCc2cccc(C[NH+](C)C)c2)[nH+]c1 ZINC001156048877 1132679655 /nfs/dbraw/zinc/67/96/55/1132679655.db2.gz ZEZXKTVFVCMYSW-UHFFFAOYSA-N 2 1 283.419 3.879 20 0 CHADMP CC1(C)C[C@H](Nc2cc(C3CC3)cc[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001158263370 1132766776 /nfs/dbraw/zinc/76/67/76/1132766776.db2.gz BXNXMNOQQLQRKX-MAUKXSAKSA-N 2 1 287.451 3.915 20 0 CHADMP CC1(C)C[C@@H](Nc2cccc(C3CC3)[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001158271577 1132768388 /nfs/dbraw/zinc/76/83/88/1132768388.db2.gz JWYMPYFFFQIANE-RDTXWAMCSA-N 2 1 287.451 3.915 20 0 CHADMP Cc1cc[nH+]c(C)c1Nc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001159203497 1132815962 /nfs/dbraw/zinc/81/59/62/1132815962.db2.gz FUGJJAWCDVBKDP-MRXNPFEDSA-N 2 1 267.376 3.867 20 0 CHADMP CC[NH+](CC)c1ccc(Nc2ccc(CC[NH3+])cc2)cc1 ZINC001159639871 1132880371 /nfs/dbraw/zinc/88/03/71/1132880371.db2.gz IDMIEGDSOMXMJI-UHFFFAOYSA-N 2 1 283.419 3.778 20 0 CHADMP [NH3+]C1(c2ccc(Nc3cc[nH+]c4ccccc34)cc2)CCC1 ZINC001159720948 1132898142 /nfs/dbraw/zinc/89/81/42/1132898142.db2.gz IAESTAOEBHNPFZ-UHFFFAOYSA-N 2 1 289.382 3.738 20 0 CHADMP Cc1ccc2cc(NC[C@H]3CCC[NH2+]C[C@@H]3C)[nH+]cc2c1 ZINC001162453165 1133079195 /nfs/dbraw/zinc/07/91/95/1133079195.db2.gz JCPGMNJCLHFBFC-GOEBONIOSA-N 2 1 283.419 3.591 20 0 CHADMP Cc1c(C)n(-c2cc[nH+]c(C)c2F)c2ccc(C[NH3+])cc12 ZINC001163762008 1133172772 /nfs/dbraw/zinc/17/27/72/1133172772.db2.gz SDTPVLPJVVQIFP-UHFFFAOYSA-N 2 1 283.350 3.549 20 0 CHADMP Cc1c(N)cc[nH+]c1NC(=[NH2+])C12CC3CC(CC(C3)C1)C2 ZINC001163841327 1133178067 /nfs/dbraw/zinc/17/80/67/1133178067.db2.gz ORRBUWQWBJLUQJ-UHFFFAOYSA-N 2 1 284.407 3.578 20 0 CHADMP [NH2+]=C(Nc1[nH+]ccc2c1CCN2)C12CC3CC(CC(C3)C1)C2 ZINC001163840444 1133178243 /nfs/dbraw/zinc/17/82/43/1133178243.db2.gz ASBSZTUPLZQNAX-UHFFFAOYSA-N 2 1 296.418 3.655 20 0 CHADMP Cc1cc[nH+]c2cc(NCC[C@H]3CCC[N@@H+](C)C3)ccc12 ZINC001165291133 1133238255 /nfs/dbraw/zinc/23/82/55/1133238255.db2.gz YQKUMPKVXZHGSD-OAHLLOKOSA-N 2 1 283.419 3.687 20 0 CHADMP Cc1cc[nH+]c2cc(NCC[C@H]3CCC[N@H+](C)C3)ccc12 ZINC001165291133 1133238259 /nfs/dbraw/zinc/23/82/59/1133238259.db2.gz YQKUMPKVXZHGSD-OAHLLOKOSA-N 2 1 283.419 3.687 20 0 CHADMP C[NH2+]Cc1cccc(Nc2[nH+]ccc3cc(OC)ccc32)c1 ZINC001167033586 1133300732 /nfs/dbraw/zinc/30/07/32/1133300732.db2.gz YWGMRYVLZUBFKR-UHFFFAOYSA-N 2 1 293.370 3.706 20 0 CHADMP Cc1ccccc1C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001203706712 1133355968 /nfs/dbraw/zinc/35/59/68/1133355968.db2.gz LREUOUBDIVZMMB-UHFFFAOYSA-N 2 1 274.452 3.547 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(C)ccc2C)CC1 ZINC001203752595 1133365302 /nfs/dbraw/zinc/36/53/02/1133365302.db2.gz NIDOSDOVTRDHME-UHFFFAOYSA-N 2 1 288.479 4.000 20 0 CHADMP CCc1cccc(C)c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204742999 1133480929 /nfs/dbraw/zinc/48/09/29/1133480929.db2.gz WNNWRIFQGJZHQC-UHFFFAOYSA-N 2 1 286.463 3.523 20 0 CHADMP c1cc(C2CC2)ccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204742441 1133481038 /nfs/dbraw/zinc/48/10/38/1133481038.db2.gz OBVXWPNQNLWSDO-UHFFFAOYSA-N 2 1 284.447 3.530 20 0 CHADMP Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(C[NH3+])cc2)c1 ZINC001204848252 1133491291 /nfs/dbraw/zinc/49/12/91/1133491291.db2.gz MFFVVVVCCREIES-LJQANCHMSA-N 2 1 280.415 3.791 20 0 CHADMP Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H]([NH3+])Cc2ccccc2)c1 ZINC001204848843 1133491995 /nfs/dbraw/zinc/49/19/95/1133491995.db2.gz UXZBFLPNASECRZ-UXHICEINSA-N 2 1 294.442 3.702 20 0 CHADMP Cc1cccc([C@@H]2CCC[N@H+]2C[C@H]([NH3+])Cc2ccccc2)c1 ZINC001204848843 1133491997 /nfs/dbraw/zinc/49/19/97/1133491997.db2.gz UXZBFLPNASECRZ-UXHICEINSA-N 2 1 294.442 3.702 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC001204932928 1133502066 /nfs/dbraw/zinc/50/20/66/1133502066.db2.gz OJWLQEFCXAXIAV-GOSISDBHSA-N 2 1 294.442 3.975 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC001204932928 1133502071 /nfs/dbraw/zinc/50/20/71/1133502071.db2.gz OJWLQEFCXAXIAV-GOSISDBHSA-N 2 1 294.442 3.975 20 0 CHADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@](C)([NH3+])C1 ZINC001204938120 1133503606 /nfs/dbraw/zinc/50/36/06/1133503606.db2.gz JAFFRTUXNJRMMV-IBGZPJMESA-N 2 1 299.462 3.779 20 0 CHADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CCC[C@](C)([NH3+])C1 ZINC001204938120 1133503610 /nfs/dbraw/zinc/50/36/10/1133503610.db2.gz JAFFRTUXNJRMMV-IBGZPJMESA-N 2 1 299.462 3.779 20 0 CHADMP Cc1c(C)c(C)c(C[N@@H+]2CCC[C@@](C)([NH3+])C2)c(C)c1C ZINC001204946721 1133506090 /nfs/dbraw/zinc/50/60/90/1133506090.db2.gz RQNDOVCHNDXCAS-GOSISDBHSA-N 2 1 274.452 3.542 20 0 CHADMP Cc1c(C)c(C)c(C[N@H+]2CCC[C@@](C)([NH3+])C2)c(C)c1C ZINC001204946721 1133506096 /nfs/dbraw/zinc/50/60/96/1133506096.db2.gz RQNDOVCHNDXCAS-GOSISDBHSA-N 2 1 274.452 3.542 20 0 CHADMP CCC(C)(C)c1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205075765 1133524343 /nfs/dbraw/zinc/52/43/43/1133524343.db2.gz MDKNHPCIFJBANM-YOEHRIQHSA-N 2 1 274.452 3.686 20 0 CHADMP CCC(C)(C)c1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205075765 1133524348 /nfs/dbraw/zinc/52/43/48/1133524348.db2.gz MDKNHPCIFJBANM-YOEHRIQHSA-N 2 1 274.452 3.686 20 0 CHADMP [NH3+][C@@H]1CCC[N@@H+](CC(c2ccccc2)c2ccccc2)CC1 ZINC001205093588 1133527427 /nfs/dbraw/zinc/52/74/27/1133527427.db2.gz BSCZXIYKVXFGGA-LJQANCHMSA-N 2 1 294.442 3.632 20 0 CHADMP C[C@H](C[N@H+]1CCC[C@H]([NH3+])CC1)c1cccc2ccccc21 ZINC001205094572 1133528723 /nfs/dbraw/zinc/52/87/23/1133528723.db2.gz MZAINSWHSNCAGU-WBVHZDCISA-N 2 1 282.431 3.757 20 0 CHADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205102950 1133529620 /nfs/dbraw/zinc/52/96/20/1133529620.db2.gz XJZBSUWZTXQJEW-AWEZNQCLSA-N 2 1 299.462 3.779 20 0 CHADMP C[C@H]1C[N@@H+](Cc2sc(Cl)c3ccccc32)C[C@H]1C[NH3+] ZINC001205156177 1133537900 /nfs/dbraw/zinc/53/79/00/1133537900.db2.gz PWYLXRFJGVUDOS-WDEREUQCSA-N 2 1 294.851 3.581 20 0 CHADMP CCCCc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)s1 ZINC001205306336 1133557932 /nfs/dbraw/zinc/55/79/32/1133557932.db2.gz VNYGXDFBGMFUCB-ZIAGYGMSSA-N 2 1 280.481 3.507 20 0 CHADMP Cc1cccc(-c2ccc(C[N@H+]3CC[NH2+]CC[C@@H]3C)cc2)c1 ZINC001205331136 1133562305 /nfs/dbraw/zinc/56/23/05/1133562305.db2.gz FLFKSWQVHHQHGX-KRWDZBQOSA-N 2 1 294.442 3.846 20 0 CHADMP Cc1cccc(-c2ccc(C[N@@H+]3CC[NH2+]CC[C@@H]3C)cc2)c1 ZINC001205331136 1133562307 /nfs/dbraw/zinc/56/23/07/1133562307.db2.gz FLFKSWQVHHQHGX-KRWDZBQOSA-N 2 1 294.442 3.846 20 0 CHADMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1 ZINC001205545523 1133587323 /nfs/dbraw/zinc/58/73/23/1133587323.db2.gz IWZRQLZFDNSKMF-GOSISDBHSA-N 2 1 292.442 3.637 20 0 CHADMP C([NH2+][C@@H]1CC[C@H]1C1CCC1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001205554302 1133587472 /nfs/dbraw/zinc/58/74/72/1133587472.db2.gz CJLLMLFFWSVOMJ-CEXWTWQISA-N 2 1 290.495 3.952 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205629478 1133597231 /nfs/dbraw/zinc/59/72/31/1133597231.db2.gz ZCBDKFODLWJIRH-YJBOKZPZSA-N 2 1 296.458 3.955 20 0 CHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CC=CCC1 ZINC001205677496 1133602163 /nfs/dbraw/zinc/60/21/63/1133602163.db2.gz DEYUJTRWGVTOKX-KRWDZBQOSA-N 2 1 286.463 3.926 20 0 CHADMP C[C@@H]1CC[N@H+](Cc2c3ccccc3[nH]c2C(C)(C)C)C[C@@H]1[NH3+] ZINC001205868578 1133625239 /nfs/dbraw/zinc/62/52/39/1133625239.db2.gz LIERYHJHFBXFNJ-CJNGLKHVSA-N 2 1 299.462 3.635 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2c3ccccc3[nH]c2C(C)(C)C)C[C@@H]1[NH3+] ZINC001205868578 1133625242 /nfs/dbraw/zinc/62/52/42/1133625242.db2.gz LIERYHJHFBXFNJ-CJNGLKHVSA-N 2 1 299.462 3.635 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c2ccccc12 ZINC001205904886 1133628851 /nfs/dbraw/zinc/62/88/51/1133628851.db2.gz XXQFEFVOTBWYAU-JKSUJKDBSA-N 2 1 282.431 3.707 20 0 CHADMP CC(C)C1CCC(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)CC1 ZINC001205989201 1133639374 /nfs/dbraw/zinc/63/93/74/1133639374.db2.gz KOVOWFODURKKLU-CTWPCTMYSA-N 2 1 292.511 3.867 20 0 CHADMP CC(C)C1CCC(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC001205989201 1133639377 /nfs/dbraw/zinc/63/93/77/1133639377.db2.gz KOVOWFODURKKLU-CTWPCTMYSA-N 2 1 292.511 3.867 20 0 CHADMP CC(C)C1CCC(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC001205989201 1133639378 /nfs/dbraw/zinc/63/93/78/1133639378.db2.gz KOVOWFODURKKLU-CTWPCTMYSA-N 2 1 292.511 3.867 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC001206012409 1133641195 /nfs/dbraw/zinc/64/11/95/1133641195.db2.gz LDWKVQAONWTUGS-VQIMIIECSA-N 2 1 288.479 3.836 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC001206084900 1133655154 /nfs/dbraw/zinc/65/51/54/1133655154.db2.gz QMKNOEDNWJDZJS-ILXRZTDVSA-N 2 1 254.462 3.521 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC001206084900 1133655157 /nfs/dbraw/zinc/65/51/57/1133655157.db2.gz QMKNOEDNWJDZJS-ILXRZTDVSA-N 2 1 254.462 3.521 20 0 CHADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1cccc(-c2ccc(F)cc2)c1 ZINC001206258053 1133677569 /nfs/dbraw/zinc/67/75/69/1133677569.db2.gz PAHVOALZQFHSMD-HNNXBMFYSA-N 2 1 298.405 3.677 20 0 CHADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1cccc(-c2ccc(F)cc2)c1 ZINC001206258053 1133677572 /nfs/dbraw/zinc/67/75/72/1133677572.db2.gz PAHVOALZQFHSMD-HNNXBMFYSA-N 2 1 298.405 3.677 20 0 CHADMP Cc1ccc(F)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1Cl ZINC001206303207 1133686689 /nfs/dbraw/zinc/68/66/89/1133686689.db2.gz CWHHECHSOJKFMN-MRXNPFEDSA-N 2 1 298.833 3.738 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1C ZINC001206318078 1133688590 /nfs/dbraw/zinc/68/85/90/1133688590.db2.gz MBCDGKQUHDBCMI-GOSISDBHSA-N 2 1 274.452 3.563 20 0 CHADMP CC(C)(C)c1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001206549336 1133714955 /nfs/dbraw/zinc/71/49/55/1133714955.db2.gz LQNAXBPGLRZJSO-LJQANCHMSA-N 2 1 288.479 3.935 20 0 CHADMP CCn1ccc2c1cccc2C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206549794 1133717071 /nfs/dbraw/zinc/71/70/71/1133717071.db2.gz PVZNNQPQJDCLCN-LJQANCHMSA-N 2 1 299.462 3.612 20 0 CHADMP CC(C)[N@@H+](CCCc1ccccc1F)[C@H]1CCC[NH2+]CC1 ZINC001206580115 1133722332 /nfs/dbraw/zinc/72/23/32/1133722332.db2.gz CIHZKMYJPPIHRD-KRWDZBQOSA-N 2 1 292.442 3.611 20 0 CHADMP CC(C)[N@H+](Cc1cccc(F)c1Cl)[C@@H]1CCC[NH2+]CC1 ZINC001206591058 1133722899 /nfs/dbraw/zinc/72/28/99/1133722899.db2.gz PWCSYOISPDKIRH-CQSZACIVSA-N 2 1 298.833 3.832 20 0 CHADMP CC(C)[N@@H+](Cc1cccc(F)c1Cl)[C@@H]1CCC[NH2+]CC1 ZINC001206591058 1133722901 /nfs/dbraw/zinc/72/29/01/1133722901.db2.gz PWCSYOISPDKIRH-CQSZACIVSA-N 2 1 298.833 3.832 20 0 CHADMP CC(C)[N@@H+](Cc1ccc(C2CC2)cc1)[C@H]1CCC[NH2+]CC1 ZINC001206599280 1133725528 /nfs/dbraw/zinc/72/55/28/1133725528.db2.gz PWWQZORZCUGRSY-IBGZPJMESA-N 2 1 286.463 3.917 20 0 CHADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001206624259 1133728805 /nfs/dbraw/zinc/72/88/05/1133728805.db2.gz SFGNFRDDQANOPZ-AWEZNQCLSA-N 2 1 286.394 3.540 20 0 CHADMP Cc1cc(N(C)C)[nH+]cc1Nc1cc[nH+]c(C2CCC2)c1 ZINC001206729660 1133737016 /nfs/dbraw/zinc/73/70/16/1133737016.db2.gz OVGLKUSCMSCARE-UHFFFAOYSA-N 2 1 282.391 3.862 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC001206767394 1133745548 /nfs/dbraw/zinc/74/55/48/1133745548.db2.gz AGYRDAVKDCYXLB-GJZGRUSLSA-N 2 1 284.403 3.506 20 0 CHADMP Cc1c(C)c(C)c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(C)c1C ZINC001206767945 1133745910 /nfs/dbraw/zinc/74/59/10/1133745910.db2.gz GJJPXAZWUSCUIP-KPZWWZAWSA-N 2 1 288.479 3.788 20 0 CHADMP CC(C)CCCC[N@H+]1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC001206799413 1133749674 /nfs/dbraw/zinc/74/96/74/1133749674.db2.gz FKKIMTDRCIHWFP-IAGOWNOFSA-N 2 1 268.489 3.865 20 0 CHADMP Cc1cccc([C@H]2CCC[N@@H+]2CC(C)(C)C[NH+](C)C)c1 ZINC001207276010 1133785014 /nfs/dbraw/zinc/78/50/14/1133785014.db2.gz SAGWDKFGTINTJQ-QGZVFWFLSA-N 2 1 274.452 3.720 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@@H+](Cc1ccccc1)C1CCC1 ZINC001207283968 1133787209 /nfs/dbraw/zinc/78/72/09/1133787209.db2.gz GGGKAJVUNHUZOH-UHFFFAOYSA-N 2 1 274.452 3.629 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001207282875 1133787349 /nfs/dbraw/zinc/78/73/49/1133787349.db2.gz QHHRFEHKTWLBKH-OAHLLOKOSA-N 2 1 294.870 3.717 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001207282875 1133787354 /nfs/dbraw/zinc/78/73/54/1133787354.db2.gz QHHRFEHKTWLBKH-OAHLLOKOSA-N 2 1 294.870 3.717 20 0 CHADMP CC[C@H]1CCC[N@H+]1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207290421 1133788198 /nfs/dbraw/zinc/78/81/98/1133788198.db2.gz BRKZVWDDTODGEL-IBGZPJMESA-N 2 1 286.463 3.773 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@@H+](C)C(C)(C)Cc1ccccc1 ZINC001207288217 1133788297 /nfs/dbraw/zinc/78/82/97/1133788297.db2.gz KCPBDQXYLHUOHN-UHFFFAOYSA-N 2 1 276.468 3.527 20 0 CHADMP CC1(C)CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207291780 1133788759 /nfs/dbraw/zinc/78/87/59/1133788759.db2.gz YTDUIBGBCYQQRV-UHFFFAOYSA-N 2 1 286.463 3.631 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@@H+]1CCCC[C@H]1c1ccccc1F ZINC001207286491 1133789112 /nfs/dbraw/zinc/78/91/12/1133789112.db2.gz UQJZHEZRNLVPKN-KRWDZBQOSA-N 2 1 292.442 3.941 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@H+]1CCCC[C@H]1c1ccccc1F ZINC001207286491 1133789119 /nfs/dbraw/zinc/78/91/19/1133789119.db2.gz UQJZHEZRNLVPKN-KRWDZBQOSA-N 2 1 292.442 3.941 20 0 CHADMP C[C@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C2(CC2)C1 ZINC001207294985 1133789308 /nfs/dbraw/zinc/78/93/08/1133789308.db2.gz YHEVLLUIABSWMB-QGZVFWFLSA-N 2 1 298.474 3.773 20 0 CHADMP CC[N@@H+](CCC1CC[NH+](C)CC1)Cc1ccc(C)c(C)c1 ZINC001207487070 1133805700 /nfs/dbraw/zinc/80/57/00/1133805700.db2.gz GONGINPLFBPHNY-UHFFFAOYSA-N 2 1 288.479 3.857 20 0 CHADMP CCC[N@@H+](CCC1CC[NH+](C)CC1)Cc1ccccc1 ZINC001207483987 1133805742 /nfs/dbraw/zinc/80/57/42/1133805742.db2.gz MBFRTLLQLNCFNG-UHFFFAOYSA-N 2 1 274.452 3.631 20 0 CHADMP C[N@H+](CCc1ccccc1Cl)CCC1CC[NH+](C)CC1 ZINC001207485563 1133806247 /nfs/dbraw/zinc/80/62/47/1133806247.db2.gz WOGJKVPZQYORMZ-UHFFFAOYSA-N 2 1 294.870 3.546 20 0 CHADMP CC(C)c1ccc2c(c1)CC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001207858454 1133855380 /nfs/dbraw/zinc/85/53/80/1133855380.db2.gz QCQMHWFJYKJJCE-UHFFFAOYSA-N 2 1 286.463 3.510 20 0 CHADMP CC(C)[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H](C)c1ccccc1 ZINC001208615129 1133918287 /nfs/dbraw/zinc/91/82/87/1133918287.db2.gz PVKWFTFYQOIHKP-DLBZAZTESA-N 2 1 274.452 3.800 20 0 CHADMP CC(C)[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H](C)c1ccccc1 ZINC001208615129 1133918293 /nfs/dbraw/zinc/91/82/93/1133918293.db2.gz PVKWFTFYQOIHKP-DLBZAZTESA-N 2 1 274.452 3.800 20 0 CHADMP CC(C)[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@@H](C)c1ccccc1 ZINC001208615129 1133918298 /nfs/dbraw/zinc/91/82/98/1133918298.db2.gz PVKWFTFYQOIHKP-DLBZAZTESA-N 2 1 274.452 3.800 20 0 CHADMP CC(C)[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@@H](C)c1ccccc1 ZINC001208615129 1133918300 /nfs/dbraw/zinc/91/83/00/1133918300.db2.gz PVKWFTFYQOIHKP-DLBZAZTESA-N 2 1 274.452 3.800 20 0 CHADMP CC[N@H+](Cc1cccc(F)c1F)CC1CC[NH+](CC)CC1 ZINC001208602990 1133918649 /nfs/dbraw/zinc/91/86/49/1133918649.db2.gz QKCYTCHRFNXARD-UHFFFAOYSA-N 2 1 296.405 3.519 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+](C)CC1CC[NH+](CC)CC1 ZINC001208601254 1133919459 /nfs/dbraw/zinc/91/94/59/1133919459.db2.gz LYCZMHPOYFDKIZ-GOSISDBHSA-N 2 1 274.452 3.801 20 0 CHADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC001208599679 1133920387 /nfs/dbraw/zinc/92/03/87/1133920387.db2.gz KLDYJMQDBGCOHG-GOSISDBHSA-N 2 1 290.426 3.695 20 0 CHADMP C[N@@H+](CCCc1ccccc1Cl)CC1CC[NH+](C)CC1 ZINC001208870958 1133955568 /nfs/dbraw/zinc/95/55/68/1133955568.db2.gz CJKBEFAIKQQTTM-UHFFFAOYSA-N 2 1 294.870 3.546 20 0 CHADMP C[C@H](C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1)C(F)(F)F ZINC001208893592 1133958993 /nfs/dbraw/zinc/95/89/93/1133958993.db2.gz LDBNBPUVLKPUHW-KGLIPLIRSA-N 2 1 292.389 3.525 20 0 CHADMP C[C@H](C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1)C(F)(F)F ZINC001208893592 1133958996 /nfs/dbraw/zinc/95/89/96/1133958996.db2.gz LDBNBPUVLKPUHW-KGLIPLIRSA-N 2 1 292.389 3.525 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCCCC3)C2)cc1 ZINC001208950571 1133967364 /nfs/dbraw/zinc/96/73/64/1133967364.db2.gz UOCXQISZVCTGJV-IBGZPJMESA-N 2 1 286.463 3.775 20 0 CHADMP CC[C@@H]1CCCC[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208952803 1133968062 /nfs/dbraw/zinc/96/80/62/1133968062.db2.gz LYFNNRCBHHVZKA-RTBURBONSA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@@H]1CCCC[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208952803 1133968066 /nfs/dbraw/zinc/96/80/66/1133968066.db2.gz LYFNNRCBHHVZKA-RTBURBONSA-N 2 1 286.463 3.773 20 0 CHADMP CC[C@@H]1CCCC[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208952803 1133968070 /nfs/dbraw/zinc/96/80/70/1133968070.db2.gz LYFNNRCBHHVZKA-RTBURBONSA-N 2 1 286.463 3.773 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC4CCC(CC4)C3)C2)cc1 ZINC001208955710 1133969425 /nfs/dbraw/zinc/96/94/25/1133969425.db2.gz FBLRPKFKJDTPPU-MHJFOBGBSA-N 2 1 298.474 3.631 20 0 CHADMP c1csc(CC[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001209224432 1133991234 /nfs/dbraw/zinc/99/12/34/1133991234.db2.gz AYJGIOJUTLWTQL-INIZCTEOSA-N 2 1 292.492 3.631 20 0 CHADMP CC[N@@H+](C)C1CC[NH+](CCCCCc2ccccc2)CC1 ZINC001209234413 1133994610 /nfs/dbraw/zinc/99/46/10/1133994610.db2.gz GSRUZPRIOOGINK-UHFFFAOYSA-N 2 1 288.479 3.816 20 0 CHADMP C[N@@H+](CCC[NH+]1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC001209449301 1134024022 /nfs/dbraw/zinc/02/40/22/1134024022.db2.gz YISUMFVMSUVFND-UHFFFAOYSA-N 2 1 290.495 3.763 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc3cc[nH]c3c2)CC1 ZINC001209517219 1134034785 /nfs/dbraw/zinc/03/47/85/1134034785.db2.gz BEQCEZUZOGYEOK-UHFFFAOYSA-N 2 1 299.462 3.864 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@H+](C)Cc1c[nH+]ccc1N ZINC001209733055 1134055932 /nfs/dbraw/zinc/05/59/32/1134055932.db2.gz PJRCLHRROIZDIR-CQSZACIVSA-N 2 1 291.398 3.840 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@@H+](C)Cc1c[nH+]ccc1N ZINC001209733055 1134055937 /nfs/dbraw/zinc/05/59/37/1134055937.db2.gz PJRCLHRROIZDIR-CQSZACIVSA-N 2 1 291.398 3.840 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC001210474090 1134224602 /nfs/dbraw/zinc/22/46/02/1134224602.db2.gz DTLAPMCQWCEONY-AWFCHZOYSA-N 2 1 252.446 3.587 20 0 CHADMP C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3)cc2)CC[NH2+]1 ZINC001210474735 1134225159 /nfs/dbraw/zinc/22/51/59/1134225159.db2.gz IRIPTZRCXJRQLR-INIZCTEOSA-N 2 1 280.415 3.537 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)CC[NH2+]1 ZINC001210474735 1134225160 /nfs/dbraw/zinc/22/51/60/1134225160.db2.gz IRIPTZRCXJRQLR-INIZCTEOSA-N 2 1 280.415 3.537 20 0 CHADMP C[C@H]1CC[N@H+](Cc2ccccc2-c2ccccc2)CC[NH2+]1 ZINC001210496123 1134228545 /nfs/dbraw/zinc/22/85/45/1134228545.db2.gz DNMQBLZKUMYDIM-INIZCTEOSA-N 2 1 280.415 3.537 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2ccccc2-c2ccccc2)CC[NH2+]1 ZINC001210496123 1134228552 /nfs/dbraw/zinc/22/85/52/1134228552.db2.gz DNMQBLZKUMYDIM-INIZCTEOSA-N 2 1 280.415 3.537 20 0 CHADMP C[C@H]1CC[N@H+](Cc2ccccc2-c2ccc(F)cc2)CC[NH2+]1 ZINC001210496854 1134229177 /nfs/dbraw/zinc/22/91/77/1134229177.db2.gz KEJFZAWUXQMHKW-HNNXBMFYSA-N 2 1 298.405 3.677 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2ccccc2-c2ccc(F)cc2)CC[NH2+]1 ZINC001210496854 1134229183 /nfs/dbraw/zinc/22/91/83/1134229183.db2.gz KEJFZAWUXQMHKW-HNNXBMFYSA-N 2 1 298.405 3.677 20 0 CHADMP CC1(C)C[N@H+](CCC[NH2+]C2CCCCC2)CCC1(F)F ZINC001210561549 1134248653 /nfs/dbraw/zinc/24/86/53/1134248653.db2.gz QAKOGTYQWWOELF-UHFFFAOYSA-N 2 1 288.426 3.666 20 0 CHADMP CC1(C)C[N@@H+](CCC[NH2+]C2CCCCC2)CCC1(F)F ZINC001210561549 1134248658 /nfs/dbraw/zinc/24/86/58/1134248658.db2.gz QAKOGTYQWWOELF-UHFFFAOYSA-N 2 1 288.426 3.666 20 0 CHADMP CC(C)(C)c1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC001222149026 1135199474 /nfs/dbraw/zinc/19/94/74/1135199474.db2.gz VCNABPNHAYRAQB-LJQANCHMSA-N 2 1 286.463 3.560 20 0 CHADMP c1ccc(C2(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)CCCC2)cc1 ZINC001222142126 1135199624 /nfs/dbraw/zinc/19/96/24/1135199624.db2.gz WHLNGQNVTLIGFH-LJQANCHMSA-N 2 1 298.474 3.574 20 0 CHADMP c1ccc(C2(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)CCCC2)cc1 ZINC001222142113 1135199899 /nfs/dbraw/zinc/19/98/99/1135199899.db2.gz WHLNGQNVTLIGFH-IBGZPJMESA-N 2 1 298.474 3.574 20 0 CHADMP CC/C=C\CC[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222154796 1135200302 /nfs/dbraw/zinc/20/03/02/1135200302.db2.gz QWFKVALIWZLQPY-CWIOURORSA-N 2 1 264.457 3.589 20 0 CHADMP Cc1ccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222161411 1135202814 /nfs/dbraw/zinc/20/28/14/1135202814.db2.gz NVCUUZGRNZRDJP-LJQANCHMSA-N 2 1 286.463 3.741 20 0 CHADMP Cc1ccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)s1 ZINC001222161619 1135202887 /nfs/dbraw/zinc/20/28/87/1135202887.db2.gz QGUVKSFUAOHCSK-QGZVFWFLSA-N 2 1 292.492 3.802 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222191743 1135206287 /nfs/dbraw/zinc/20/62/87/1135206287.db2.gz OQODUXNPNMWFRI-DLBZAZTESA-N 2 1 264.457 3.587 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222191743 1135206292 /nfs/dbraw/zinc/20/62/92/1135206292.db2.gz OQODUXNPNMWFRI-DLBZAZTESA-N 2 1 264.457 3.587 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222231639 1135211088 /nfs/dbraw/zinc/21/10/88/1135211088.db2.gz OSWAKPFLMQYDIP-IAGOWNOFSA-N 2 1 264.457 3.587 20 0 CHADMP CC1=CC[C@@H](CC[N@H+]2CCC[C@@]23CCC[NH2+]C3)C1(C)C ZINC001222230722 1135211297 /nfs/dbraw/zinc/21/12/97/1135211297.db2.gz CLCSMWHVEIMCFS-FUHWJXTLSA-N 2 1 276.468 3.587 20 0 CHADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000320137115 1135213915 /nfs/dbraw/zinc/21/39/15/1135213915.db2.gz KVCIKSHQGGJSND-SFHVURJKSA-N 2 1 294.442 3.914 20 0 CHADMP c1cc(C2CCC2)ccc1C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222252228 1135214981 /nfs/dbraw/zinc/21/49/81/1135214981.db2.gz BCKFOBNDZVPDDQ-IBGZPJMESA-N 2 1 284.447 3.672 20 0 CHADMP c1cc(C2CCC2)ccc1C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222252228 1135214985 /nfs/dbraw/zinc/21/49/85/1135214985.db2.gz BCKFOBNDZVPDDQ-IBGZPJMESA-N 2 1 284.447 3.672 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222258858 1135215612 /nfs/dbraw/zinc/21/56/12/1135215612.db2.gz HGWJUPYEXZNXOQ-DDKKJVIOSA-N 2 1 278.484 3.979 20 0 CHADMP FC(F)c1ccccc1C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222264463 1135215902 /nfs/dbraw/zinc/21/59/02/1135215902.db2.gz ANGZDHNIUFCGSH-KRWDZBQOSA-N 2 1 294.389 3.590 20 0 CHADMP FC(F)c1ccccc1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222264463 1135215905 /nfs/dbraw/zinc/21/59/05/1135215905.db2.gz ANGZDHNIUFCGSH-KRWDZBQOSA-N 2 1 294.389 3.590 20 0 CHADMP CC1=CC[C@@H](CC[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)C1(C)C ZINC001222259150 1135216237 /nfs/dbraw/zinc/21/62/37/1135216237.db2.gz LLPKMXFLLYOCBL-HKUYNNGSSA-N 2 1 290.495 3.835 20 0 CHADMP CCCC[C@@H](CC)C[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001222287144 1135218279 /nfs/dbraw/zinc/21/82/79/1135218279.db2.gz APKFPSXJZIACGV-MRXNPFEDSA-N 2 1 266.473 3.811 20 0 CHADMP CC(C)c1ccc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)cc1 ZINC001222293246 1135220012 /nfs/dbraw/zinc/22/00/12/1135220012.db2.gz RLAZBIIBCFHQDN-UHFFFAOYSA-N 2 1 286.463 3.918 20 0 CHADMP Cc1ccc([C@H](C)CC[N@H+]2CCC[C@@]23CCC[NH2+]CC3)o1 ZINC001222310423 1135222706 /nfs/dbraw/zinc/22/27/06/1135222706.db2.gz UYSRBBLNKQPSAF-CRAIPNDOSA-N 2 1 290.451 3.690 20 0 CHADMP C(CC1CCCC1)C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222310386 1135223300 /nfs/dbraw/zinc/22/33/00/1135223300.db2.gz URKXGBICMPRRCB-KRWDZBQOSA-N 2 1 264.457 3.565 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc1Cl ZINC001222315942 1135224099 /nfs/dbraw/zinc/22/40/99/1135224099.db2.gz RNUGEFNXAGRTRJ-KRWDZBQOSA-N 2 1 292.854 3.757 20 0 CHADMP CCCc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1 ZINC001222315288 1135224130 /nfs/dbraw/zinc/22/41/30/1135224130.db2.gz MMIHIDLQXNZQCG-LJQANCHMSA-N 2 1 286.463 3.747 20 0 CHADMP c1c2ccccc2oc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222316433 1135225018 /nfs/dbraw/zinc/22/50/18/1135225018.db2.gz WDVBNZUPKDRAQU-SFHVURJKSA-N 2 1 284.403 3.541 20 0 CHADMP CCc1cccc(C)c1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222321345 1135225376 /nfs/dbraw/zinc/22/53/76/1135225376.db2.gz UAERSFOYDUBNDM-IBGZPJMESA-N 2 1 286.463 3.666 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222346711 1135230116 /nfs/dbraw/zinc/23/01/16/1135230116.db2.gz RRNCLJMYUQXOMK-DLBZAZTESA-N 2 1 264.457 3.587 20 0 CHADMP c1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)c2cccccc1-2 ZINC001222359870 1135231379 /nfs/dbraw/zinc/23/13/79/1135231379.db2.gz ATNHPVRBIRPIRU-IBGZPJMESA-N 2 1 280.415 3.509 20 0 CHADMP c1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)c2cccccc1-2 ZINC001222359870 1135231380 /nfs/dbraw/zinc/23/13/80/1135231380.db2.gz ATNHPVRBIRPIRU-IBGZPJMESA-N 2 1 280.415 3.509 20 0 CHADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)CC1 ZINC001222385380 1135233330 /nfs/dbraw/zinc/23/33/30/1135233330.db2.gz LKRGCUMBVFZPLX-RCCFBDPRSA-N 2 1 276.468 3.587 20 0 CHADMP C[C@@H](C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)c1cccc2ccccc21 ZINC001222465819 1135244943 /nfs/dbraw/zinc/24/49/43/1135244943.db2.gz ZLDJWSNUEWOOIM-OXJNMPFZSA-N 2 1 294.442 3.771 20 0 CHADMP C[C@@H](C[N@H+]1CC[C@]2(CCC[NH2+]2)C1)c1cccc2ccccc21 ZINC001222465819 1135244949 /nfs/dbraw/zinc/24/49/49/1135244949.db2.gz ZLDJWSNUEWOOIM-OXJNMPFZSA-N 2 1 294.442 3.771 20 0 CHADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169790 260152635 /nfs/dbraw/zinc/15/26/35/260152635.db2.gz WCMJQMZPEYFBNW-CZUORRHYSA-N 2 1 280.843 3.852 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000192923233 529621172 /nfs/dbraw/zinc/62/11/72/529621172.db2.gz YQERAZFTIJUATM-MSOLQXFVSA-N 2 1 274.452 3.533 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccccc32)[C@H]2CCC[C@H]21 ZINC000353453210 529807008 /nfs/dbraw/zinc/80/70/08/529807008.db2.gz FDMPLUIJUZJSGG-AKHDSKFASA-N 2 1 284.447 3.526 20 0 CHADMP CCC[C@@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000576464814 335207121 /nfs/dbraw/zinc/20/71/21/335207121.db2.gz QNRNHEVIWPXEIQ-ZCRFILTFSA-N 2 1 264.457 3.560 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2CCC(C(C)(C)C)CC2)CC[N@@H+]1C ZINC000090721768 260393140 /nfs/dbraw/zinc/39/31/40/260393140.db2.gz GTMRSXWDQTUVKV-PRLABOORSA-N 2 1 266.473 3.664 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2CCC(C(C)(C)C)CC2)CC[N@H+]1C ZINC000090721768 260393142 /nfs/dbraw/zinc/39/31/42/260393142.db2.gz GTMRSXWDQTUVKV-PRLABOORSA-N 2 1 266.473 3.664 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCCC23CC3)c1 ZINC000574585229 335032345 /nfs/dbraw/zinc/03/23/45/335032345.db2.gz SLZGFFUPDSCAGJ-KRWDZBQOSA-N 2 1 272.436 3.561 20 0 CHADMP CSc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)s1 ZINC000352829238 532956612 /nfs/dbraw/zinc/95/66/12/532956612.db2.gz FYRGQODESWSWPD-YHWZYXNKSA-N 2 1 296.505 3.575 20 0 CHADMP CC[C@@H](NCC[C@H]1CCCC[N@H+]1C)c1ccc(F)cc1F ZINC000341854494 130095408 /nfs/dbraw/zinc/09/54/08/130095408.db2.gz CMMCCCLWUYGRPQ-RHSMWYFYSA-N 2 1 296.405 3.880 20 0 CHADMP CC[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc(F)cc1F ZINC000341854494 130095411 /nfs/dbraw/zinc/09/54/11/130095411.db2.gz CMMCCCLWUYGRPQ-RHSMWYFYSA-N 2 1 296.405 3.880 20 0 CHADMP CC[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(F)cc1F ZINC000341854494 130095413 /nfs/dbraw/zinc/09/54/13/130095413.db2.gz CMMCCCLWUYGRPQ-RHSMWYFYSA-N 2 1 296.405 3.880 20 0 CHADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cccc(Cl)c2)CC1 ZINC000020124171 171006142 /nfs/dbraw/zinc/00/61/42/171006142.db2.gz AFEHQZWBXQZCOX-CYBMUJFWSA-N 2 1 280.843 3.863 20 0 CHADMP CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000035054435 171955613 /nfs/dbraw/zinc/95/56/13/171955613.db2.gz KZEMBVISIKHFTG-DLBZAZTESA-N 2 1 278.484 3.808 20 0 CHADMP C[NH+]1CCC([NH2+]Cc2cc(-c3ccccc3)cs2)CC1 ZINC000038030781 174023259 /nfs/dbraw/zinc/02/32/59/174023259.db2.gz DEGOMNVJPVGAMC-UHFFFAOYSA-N 2 1 286.444 3.599 20 0 CHADMP Cc1ccncc1CCC[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000347632048 226205798 /nfs/dbraw/zinc/20/57/98/226205798.db2.gz GRARRPVRMOCBJL-UHFFFAOYSA-N 2 1 290.357 3.733 20 0 CHADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cnc(C2CCCC2)s1 ZINC000352546519 227051744 /nfs/dbraw/zinc/05/17/44/227051744.db2.gz WHUSWZOQSIAWNW-CQSZACIVSA-N 2 1 293.480 3.504 20 0 CHADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cnc(C2CCCC2)s1 ZINC000352546519 227051748 /nfs/dbraw/zinc/05/17/48/227051748.db2.gz WHUSWZOQSIAWNW-CQSZACIVSA-N 2 1 293.480 3.504 20 0 CHADMP C[C@H]1CCCC[C@H]1CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352778576 227213883 /nfs/dbraw/zinc/21/38/83/227213883.db2.gz VTEFCFDEMNYVMY-KBPBESRZSA-N 2 1 295.496 3.511 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+]CC[C@H](C)c1ccccc1 ZINC000219375208 260010983 /nfs/dbraw/zinc/01/09/83/260010983.db2.gz HCNVXDFWNWFEGB-INIZCTEOSA-N 2 1 262.441 3.500 20 0 CHADMP CC(C)CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)C1CC1 ZINC000310726036 260226234 /nfs/dbraw/zinc/22/62/34/260226234.db2.gz UHLQKUKUSREQMG-INIZCTEOSA-N 2 1 254.462 3.521 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000126540784 260353730 /nfs/dbraw/zinc/35/37/30/260353730.db2.gz OVBOQTJATACSEQ-ZRGWGRIASA-N 2 1 284.447 3.699 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC000128074691 260372306 /nfs/dbraw/zinc/37/23/06/260372306.db2.gz RVSBAKDVGKXGLJ-HNNXBMFYSA-N 2 1 274.452 3.675 20 0 CHADMP C1CC1[NH+]1CCC([NH2+]C2CCC3(CCCC3)CC2)CC1 ZINC000129309468 260385117 /nfs/dbraw/zinc/38/51/17/260385117.db2.gz JYQPQWDXIRMLFE-UHFFFAOYSA-N 2 1 276.468 3.706 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C)cc1 ZINC000130145769 260394244 /nfs/dbraw/zinc/39/42/44/260394244.db2.gz DUJCYCFUMVHHDO-KURKYZTESA-N 2 1 272.436 3.663 20 0 CHADMP CCc1ccccc1CC[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000444647408 261056192 /nfs/dbraw/zinc/05/61/92/261056192.db2.gz FBIIKHMWDUPKJU-VQIMIIECSA-N 2 1 288.479 3.596 20 0 CHADMP CCc1ccccc1CC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000444647408 261056193 /nfs/dbraw/zinc/05/61/93/261056193.db2.gz FBIIKHMWDUPKJU-VQIMIIECSA-N 2 1 288.479 3.596 20 0 CHADMP CCc1ccccc1CC[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000444647408 261056195 /nfs/dbraw/zinc/05/61/95/261056195.db2.gz FBIIKHMWDUPKJU-VQIMIIECSA-N 2 1 288.479 3.596 20 0 CHADMP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000152692765 261068353 /nfs/dbraw/zinc/06/83/53/261068353.db2.gz DZEMBLRJCSPTNO-KSSFIOAISA-N 2 1 284.447 3.760 20 0 CHADMP Cc1cc[nH+]c(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000301644193 261338797 /nfs/dbraw/zinc/33/87/97/261338797.db2.gz NBXXGZLKPPQEKJ-SJLPKXTDSA-N 2 1 295.430 3.713 20 0 CHADMP Cc1cc[nH+]c(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000301644193 261338800 /nfs/dbraw/zinc/33/88/00/261338800.db2.gz NBXXGZLKPPQEKJ-SJLPKXTDSA-N 2 1 295.430 3.713 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000164630864 261355834 /nfs/dbraw/zinc/35/58/34/261355834.db2.gz WAIOMFDWZYXWSY-MRXNPFEDSA-N 2 1 285.435 3.939 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000165630509 261374303 /nfs/dbraw/zinc/37/43/03/261374303.db2.gz ZIBOTMGEPOQLFN-QZTJIDSGSA-N 2 1 283.419 3.508 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCC1 ZINC000178078324 261375771 /nfs/dbraw/zinc/37/57/71/261375771.db2.gz MALSINGHOKYVHU-MIJOPJBOSA-N 2 1 298.474 3.960 20 0 CHADMP C[C@@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccoc1 ZINC000309729143 262007256 /nfs/dbraw/zinc/00/72/56/262007256.db2.gz OKVNALBFFCDKKO-VQIMIIECSA-N 2 1 298.430 3.842 20 0 CHADMP C[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccoc1 ZINC000309729143 262007257 /nfs/dbraw/zinc/00/72/57/262007257.db2.gz OKVNALBFFCDKKO-VQIMIIECSA-N 2 1 298.430 3.842 20 0 CHADMP C[C@H](CC[NH2+][C@H](C)c1ccc(Cl)nc1)[NH+]1CCCCC1 ZINC000184498193 262021276 /nfs/dbraw/zinc/02/12/76/262021276.db2.gz ADQBNAUROYVQEC-ZIAGYGMSSA-N 2 1 295.858 3.650 20 0 CHADMP Cc1ccc(SC[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000186471056 262094528 /nfs/dbraw/zinc/09/45/28/262094528.db2.gz ZHGUTISOVCOGEZ-XHSDSOJGSA-N 2 1 292.492 3.548 20 0 CHADMP Cc1ccc(SC[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000186471056 262094531 /nfs/dbraw/zinc/09/45/31/262094531.db2.gz ZHGUTISOVCOGEZ-XHSDSOJGSA-N 2 1 292.492 3.548 20 0 CHADMP CC[C@@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390563501 262218528 /nfs/dbraw/zinc/21/85/28/262218528.db2.gz NAEYEJLITPOOBJ-SJLPKXTDSA-N 2 1 288.479 3.923 20 0 CHADMP CC[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390563501 262218529 /nfs/dbraw/zinc/21/85/29/262218529.db2.gz NAEYEJLITPOOBJ-SJLPKXTDSA-N 2 1 288.479 3.923 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000221779584 262296280 /nfs/dbraw/zinc/29/62/80/262296280.db2.gz WSAHBGKYOLQWAI-UAGQMJEPSA-N 2 1 260.425 3.600 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000221779584 262296281 /nfs/dbraw/zinc/29/62/81/262296281.db2.gz WSAHBGKYOLQWAI-UAGQMJEPSA-N 2 1 260.425 3.600 20 0 CHADMP Cc1[nH+]cn(Cc2cccc(C[NH+]3CCCCC3)c2)c1C ZINC000411269827 262686542 /nfs/dbraw/zinc/68/65/42/262686542.db2.gz ONFZHLXRPZFREF-UHFFFAOYSA-N 2 1 283.419 3.534 20 0 CHADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(F)c1 ZINC000414176118 262814468 /nfs/dbraw/zinc/81/44/68/262814468.db2.gz HZPJKWRHYJGTDN-YOEHRIQHSA-N 2 1 278.415 3.598 20 0 CHADMP Cc1cc(C)cc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000414177553 262814674 /nfs/dbraw/zinc/81/46/74/262814674.db2.gz JTIPYJNQMDMYKA-SJORKVTESA-N 2 1 274.452 3.686 20 0 CHADMP CC[N@H+](Cc1ccccc1Cl)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414668666 263026407 /nfs/dbraw/zinc/02/64/07/263026407.db2.gz AMMVPPIAIXSFRL-ZIAGYGMSSA-N 2 1 280.843 3.550 20 0 CHADMP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414676919 263030682 /nfs/dbraw/zinc/03/06/82/263030682.db2.gz IEXJITHTQGPWHK-ILXRZTDVSA-N 2 1 286.419 3.814 20 0 CHADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)CC[NH2+]1 ZINC000414682168 263031798 /nfs/dbraw/zinc/03/17/98/263031798.db2.gz XXZKLLCPSKAPIF-CPUCHLNUSA-N 2 1 292.854 3.865 20 0 CHADMP C[C@@H]1C[C@H](C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)CC[NH2+]1 ZINC000414689873 263032553 /nfs/dbraw/zinc/03/25/53/263032553.db2.gz LYKOMCNKXWECAS-CLCXKQKWSA-N 2 1 284.447 3.526 20 0 CHADMP Cc1ccc(C)c([C@H](C)[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414703586 263033459 /nfs/dbraw/zinc/03/34/59/263033459.db2.gz MGCDXICDCLXENA-IXDOHACOSA-N 2 1 274.452 3.684 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+]CCCc1c(F)cccc1Cl ZINC000414818803 263054956 /nfs/dbraw/zinc/05/49/56/263054956.db2.gz WOTICILPLGASJZ-LBPRGKRZSA-N 2 1 286.822 3.519 20 0 CHADMP C[C@@H](CCc1ccsc1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414832488 263056739 /nfs/dbraw/zinc/05/67/39/263056739.db2.gz DPFFKMDCEVFIHT-XJKSGUPXSA-N 2 1 280.481 3.566 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000453116069 263190559 /nfs/dbraw/zinc/19/05/59/263190559.db2.gz XRHPIZQIATUCSR-MAUKXSAKSA-N 2 1 278.484 3.665 20 0 CHADMP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1Cl ZINC000415037638 263257135 /nfs/dbraw/zinc/25/71/35/263257135.db2.gz GXWQGOYLWYLEGX-DOTOQJQBSA-N 2 1 292.854 3.612 20 0 CHADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1Cl ZINC000415037638 263257136 /nfs/dbraw/zinc/25/71/36/263257136.db2.gz GXWQGOYLWYLEGX-DOTOQJQBSA-N 2 1 292.854 3.612 20 0 CHADMP Cc1cc(C)cc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000453394801 263262158 /nfs/dbraw/zinc/26/21/58/263262158.db2.gz HDSJCKIAXGPDFX-MRXNPFEDSA-N 2 1 274.452 3.828 20 0 CHADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)s1 ZINC000415086962 263271797 /nfs/dbraw/zinc/27/17/97/263271797.db2.gz SILJKQGHXCRXNP-RDJZCZTQSA-N 2 1 286.444 3.639 20 0 CHADMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cccc(Cl)c1Cl ZINC000415092669 263272767 /nfs/dbraw/zinc/27/27/67/263272767.db2.gz UDKMTMIKSVUJHU-QWRGUYRKSA-N 2 1 287.234 3.786 20 0 CHADMP CS[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000425361219 264147204 /nfs/dbraw/zinc/14/72/04/264147204.db2.gz UAJZOOUSUSRAGK-DLBZAZTESA-N 2 1 292.492 3.510 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000348240487 265147917 /nfs/dbraw/zinc/14/79/17/265147917.db2.gz IBIXIGBDIHYSNH-BHIYHBOVSA-N 2 1 286.463 3.500 20 0 CHADMP CC1(C)CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000314691669 265178088 /nfs/dbraw/zinc/17/80/88/265178088.db2.gz LSLWAVKKQCMVFL-KXBFYZLASA-N 2 1 298.474 3.873 20 0 CHADMP C[C@H](CC[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21)c1ccccc1 ZINC000519129545 265328010 /nfs/dbraw/zinc/32/80/10/265328010.db2.gz BEAUVYDUYNOUIN-BHIYHBOVSA-N 2 1 286.463 3.596 20 0 CHADMP C[C@H](CC[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21)c1ccccc1 ZINC000519129545 265328014 /nfs/dbraw/zinc/32/80/14/265328014.db2.gz BEAUVYDUYNOUIN-BHIYHBOVSA-N 2 1 286.463 3.596 20 0 CHADMP C[C@H](CC[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)c1ccccc1 ZINC000519129545 265328017 /nfs/dbraw/zinc/32/80/17/265328017.db2.gz BEAUVYDUYNOUIN-BHIYHBOVSA-N 2 1 286.463 3.596 20 0 CHADMP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1cnccc1C ZINC000357777824 266359714 /nfs/dbraw/zinc/35/97/14/266359714.db2.gz KFBVYWSYVXZUGW-INIZCTEOSA-N 2 1 277.456 3.553 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000360932473 266756420 /nfs/dbraw/zinc/75/64/20/266756420.db2.gz DHMALYJIPMCYTK-CQSZACIVSA-N 2 1 297.402 3.905 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CCC3(CC3)CC2)C1 ZINC000362928554 267062698 /nfs/dbraw/zinc/06/26/98/267062698.db2.gz UFGHPAMNAAWHAC-MRXNPFEDSA-N 2 1 278.484 3.667 20 0 CHADMP CCCCC[N@H+](CCCCn1cc[nH+]c1C)C(C)C ZINC000119085636 267296083 /nfs/dbraw/zinc/29/60/83/267296083.db2.gz DIEOGEKWGBNBJX-UHFFFAOYSA-N 2 1 265.445 3.872 20 0 CHADMP CCCCC[N@@H+](CCCCn1cc[nH+]c1C)C(C)C ZINC000119085636 267296086 /nfs/dbraw/zinc/29/60/86/267296086.db2.gz DIEOGEKWGBNBJX-UHFFFAOYSA-N 2 1 265.445 3.872 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000370477718 267320882 /nfs/dbraw/zinc/32/08/82/267320882.db2.gz QAULIHDZGHNSEV-MUGJNUQGSA-N 2 1 298.474 3.713 20 0 CHADMP c1ccc([C@H]2CCCC[C@@H]2[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000378867790 327762112 /nfs/dbraw/zinc/76/21/12/327762112.db2.gz GCWSMUBIXYGWPY-UXHICEINSA-N 2 1 298.474 3.929 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)C[C@@H](c2ccccc2)C1 ZINC000313835897 327771534 /nfs/dbraw/zinc/77/15/34/327771534.db2.gz PALVXNALIQEEGO-IEZWGBDMSA-N 2 1 286.463 3.643 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cccc(F)c1F ZINC000181954204 327811691 /nfs/dbraw/zinc/81/16/91/327811691.db2.gz XCVVEUHYVSZREF-GFCCVEGCSA-N 2 1 293.361 3.601 20 0 CHADMP Cn1c[nH+]cc1CCC[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000563353148 328057380 /nfs/dbraw/zinc/05/73/80/328057380.db2.gz MKVHVFIJSMLMEH-UHFFFAOYSA-N 2 1 291.826 3.531 20 0 CHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000401827094 328069233 /nfs/dbraw/zinc/06/92/33/328069233.db2.gz HYNPZAHKPYDMDZ-LSDHHAIUSA-N 2 1 277.456 3.547 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1)c1c[nH+]ccc1N ZINC000571156483 328088860 /nfs/dbraw/zinc/08/88/60/328088860.db2.gz GCFNVPNBYZBVQG-BJJXKVORSA-N 2 1 299.393 3.620 20 0 CHADMP C[C@@H]1[C@H](N2CCCC2)CC[N@H+]1C[C@H]1CCCC(C)(C)C1 ZINC000571448016 328122542 /nfs/dbraw/zinc/12/25/42/328122542.db2.gz OBRRLZHIVVLUIS-IXDOHACOSA-N 2 1 278.484 3.761 20 0 CHADMP Cc1occc1CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414388870 328160578 /nfs/dbraw/zinc/16/05/78/328160578.db2.gz NRPQACBAQBIZSH-GOSISDBHSA-N 2 1 298.430 3.542 20 0 CHADMP Cc1occc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000414388870 328160580 /nfs/dbraw/zinc/16/05/80/328160580.db2.gz NRPQACBAQBIZSH-GOSISDBHSA-N 2 1 298.430 3.542 20 0 CHADMP Cc1occc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000414388870 328160582 /nfs/dbraw/zinc/16/05/82/328160582.db2.gz NRPQACBAQBIZSH-GOSISDBHSA-N 2 1 298.430 3.542 20 0 CHADMP Cc1occc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414388870 328160584 /nfs/dbraw/zinc/16/05/84/328160584.db2.gz NRPQACBAQBIZSH-GOSISDBHSA-N 2 1 298.430 3.542 20 0 CHADMP Cc1occc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414388870 328160586 /nfs/dbraw/zinc/16/05/86/328160586.db2.gz NRPQACBAQBIZSH-GOSISDBHSA-N 2 1 298.430 3.542 20 0 CHADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000414652030 328208441 /nfs/dbraw/zinc/20/84/41/328208441.db2.gz CWSQRQWRRIAWHF-NBMJBFSESA-N 2 1 286.463 3.556 20 0 CHADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000415011853 328298789 /nfs/dbraw/zinc/29/87/89/328298789.db2.gz IPBHRSGQBKFVJN-ZIAGYGMSSA-N 2 1 286.444 3.663 20 0 CHADMP CC(C)(C)CC[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000187753942 328302311 /nfs/dbraw/zinc/30/23/11/328302311.db2.gz QKHHIJVXFGOTBU-HNNXBMFYSA-N 2 1 294.508 3.986 20 0 CHADMP CC(C)(C)CC[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000187753942 328302313 /nfs/dbraw/zinc/30/23/13/328302313.db2.gz QKHHIJVXFGOTBU-HNNXBMFYSA-N 2 1 294.508 3.986 20 0 CHADMP C[NH2+]C1CC[NH+]([C@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000261589123 327015347 /nfs/dbraw/zinc/01/53/47/327015347.db2.gz KLUPAHIOAANCJM-CQSZACIVSA-N 2 1 260.425 3.555 20 0 CHADMP CCC1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000088164237 327016677 /nfs/dbraw/zinc/01/66/77/327016677.db2.gz DXWOXCPUEQMQOF-QLQQRZLESA-N 2 1 264.457 3.560 20 0 CHADMP CCC1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000088164237 327016678 /nfs/dbraw/zinc/01/66/78/327016678.db2.gz DXWOXCPUEQMQOF-QLQQRZLESA-N 2 1 264.457 3.560 20 0 CHADMP C(=C\c1ccccc1)\C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000255901535 327027779 /nfs/dbraw/zinc/02/77/79/327027779.db2.gz XVTBIBJXGIJUQH-KWEPMOPPSA-N 2 1 284.447 3.508 20 0 CHADMP C(=C\c1ccccc1)\C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000255901535 327027780 /nfs/dbraw/zinc/02/77/80/327027780.db2.gz XVTBIBJXGIJUQH-KWEPMOPPSA-N 2 1 284.447 3.508 20 0 CHADMP CC(C)c1ccc([C@H](C)[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000261721553 327035174 /nfs/dbraw/zinc/03/51/74/327035174.db2.gz KGSXJCNNIYCPGI-RUGDWHBFSA-N 2 1 272.436 3.540 20 0 CHADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CCC2CCCCCC2)C1 ZINC000558422939 327092923 /nfs/dbraw/zinc/09/29/23/327092923.db2.gz GRXROEPDEUEJLI-ZWKOTPCHSA-N 2 1 278.484 3.763 20 0 CHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CCC2CCCCCC2)C1 ZINC000558422939 327092924 /nfs/dbraw/zinc/09/29/24/327092924.db2.gz GRXROEPDEUEJLI-ZWKOTPCHSA-N 2 1 278.484 3.763 20 0 CHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CCC2CCCCCC2)C1 ZINC000558422939 327092926 /nfs/dbraw/zinc/09/29/26/327092926.db2.gz GRXROEPDEUEJLI-ZWKOTPCHSA-N 2 1 278.484 3.763 20 0 CHADMP CCC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000313418304 327128546 /nfs/dbraw/zinc/12/85/46/327128546.db2.gz DFQMVFLPPSNRIY-QGZVFWFLSA-N 2 1 264.457 3.562 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000445207800 327171429 /nfs/dbraw/zinc/17/14/29/327171429.db2.gz CLLJYBUMURKIER-YOEHRIQHSA-N 2 1 294.870 3.545 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000445207800 327171431 /nfs/dbraw/zinc/17/14/31/327171431.db2.gz CLLJYBUMURKIER-YOEHRIQHSA-N 2 1 294.870 3.545 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000445207800 327171432 /nfs/dbraw/zinc/17/14/32/327171432.db2.gz CLLJYBUMURKIER-YOEHRIQHSA-N 2 1 294.870 3.545 20 0 CHADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000569444334 327178250 /nfs/dbraw/zinc/17/82/50/327178250.db2.gz XSKJCYNTFGAHCJ-INMHGKMJSA-N 2 1 292.492 3.738 20 0 CHADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000569444334 327178251 /nfs/dbraw/zinc/17/82/51/327178251.db2.gz XSKJCYNTFGAHCJ-INMHGKMJSA-N 2 1 292.492 3.738 20 0 CHADMP CC(C)[NH2+]CCC[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000569566665 327198886 /nfs/dbraw/zinc/19/88/86/327198886.db2.gz LNFMLFZKSBKIKF-AWEZNQCLSA-N 2 1 298.883 3.855 20 0 CHADMP C[NH+]1CCC([NH2+][C@@H](c2ccc(F)c(Cl)c2)C2CC2)CC1 ZINC000449452966 327213225 /nfs/dbraw/zinc/21/32/25/327213225.db2.gz VNWMNOOFVYBMDH-MRXNPFEDSA-N 2 1 296.817 3.614 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]CC2(C)CCCC2)C[C@H]1c1ccccc1 ZINC000559788074 327261471 /nfs/dbraw/zinc/26/14/71/327261471.db2.gz CKXITWXWKIROOA-ROUUACIJSA-N 2 1 286.463 3.992 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)CCCC2)C[C@H]1c1ccccc1 ZINC000559788074 327261472 /nfs/dbraw/zinc/26/14/72/327261472.db2.gz CKXITWXWKIROOA-ROUUACIJSA-N 2 1 286.463 3.992 20 0 CHADMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000559786020 327261974 /nfs/dbraw/zinc/26/19/74/327261974.db2.gz GEKVMGRLQZIWGX-BGTYHANMSA-N 2 1 272.436 3.600 20 0 CHADMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000559786020 327261976 /nfs/dbraw/zinc/26/19/76/327261976.db2.gz GEKVMGRLQZIWGX-BGTYHANMSA-N 2 1 272.436 3.600 20 0 CHADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000560537676 327321211 /nfs/dbraw/zinc/32/12/11/327321211.db2.gz QGUOPYXFIQAIEV-QYZOEREBSA-N 2 1 286.463 3.533 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000125457613 327337057 /nfs/dbraw/zinc/33/70/57/327337057.db2.gz RKWFSKYUJDPNEJ-UHFFFAOYSA-N 2 1 291.826 3.757 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccc(Cl)cc1 ZINC000125457613 327337058 /nfs/dbraw/zinc/33/70/58/327337058.db2.gz RKWFSKYUJDPNEJ-UHFFFAOYSA-N 2 1 291.826 3.757 20 0 CHADMP CCC1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000561297718 327383714 /nfs/dbraw/zinc/38/37/14/327383714.db2.gz JJMFILIAYCVJDL-ZHNYMBGRSA-N 2 1 298.474 3.960 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C2CC(C)(c3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000561314092 327385043 /nfs/dbraw/zinc/38/50/43/327385043.db2.gz BMIOGKYIQIUPLG-FNNTYFIOSA-N 2 1 298.474 3.569 20 0 CHADMP CC[C@@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000582476965 329094996 /nfs/dbraw/zinc/09/49/96/329094996.db2.gz OQDPOVWXWRWFNR-FAEJEUNOSA-N 2 1 274.452 3.818 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CCCC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000394478413 329117441 /nfs/dbraw/zinc/11/74/41/329117441.db2.gz BPKXFCPQAZPNFL-LPHOPBHVSA-N 2 1 286.463 3.819 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CCCC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000394478413 329117442 /nfs/dbraw/zinc/11/74/42/329117442.db2.gz BPKXFCPQAZPNFL-LPHOPBHVSA-N 2 1 286.463 3.819 20 0 CHADMP C[C@@H]([NH2+]CCCC1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000394547923 329125843 /nfs/dbraw/zinc/12/58/43/329125843.db2.gz FSIQHMZCYPKYCD-VQIMIIECSA-N 2 1 286.463 3.677 20 0 CHADMP CCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000394584421 329127545 /nfs/dbraw/zinc/12/75/45/329127545.db2.gz FRDQIUHUECGSMY-FUHWJXTLSA-N 2 1 288.479 3.923 20 0 CHADMP CCC(C)(C)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000394584425 329127558 /nfs/dbraw/zinc/12/75/58/329127558.db2.gz FRDQIUHUECGSMY-SJLPKXTDSA-N 2 1 288.479 3.923 20 0 CHADMP CC(C)[C@@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000177977324 329190971 /nfs/dbraw/zinc/19/09/71/329190971.db2.gz UVDUKDZSYRPVIG-OAHLLOKOSA-N 2 1 262.441 3.661 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc2ccccc2n1 ZINC000178305568 329195840 /nfs/dbraw/zinc/19/58/40/329195840.db2.gz SWNIMJSTWPOJNM-UAGQMJEPSA-N 2 1 297.446 3.758 20 0 CHADMP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000178703436 329202568 /nfs/dbraw/zinc/20/25/68/329202568.db2.gz MSGIAXJWMOTIMG-SQWLQELKSA-N 2 1 265.445 3.632 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000180442726 329217403 /nfs/dbraw/zinc/21/74/03/329217403.db2.gz AUEDCDFPLVUACC-ZRGWGRIASA-N 2 1 297.446 3.659 20 0 CHADMP FC(F)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000183950007 329255001 /nfs/dbraw/zinc/25/50/01/329255001.db2.gz CAFDTNVYNZEPCQ-HNNXBMFYSA-N 2 1 294.389 3.542 20 0 CHADMP FC(F)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000183950007 329255002 /nfs/dbraw/zinc/25/50/02/329255002.db2.gz CAFDTNVYNZEPCQ-HNNXBMFYSA-N 2 1 294.389 3.542 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1C[C@H]1C ZINC000321111909 329260813 /nfs/dbraw/zinc/26/08/13/329260813.db2.gz QQRDZKCESXFARP-WQANYPTNSA-N 2 1 298.474 3.816 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CCCC2CCCCC2)C1 ZINC000395225070 329284635 /nfs/dbraw/zinc/28/46/35/329284635.db2.gz PKLKUNXGCMLUIX-QGZVFWFLSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C1CCSCC1 ZINC000187010988 329351593 /nfs/dbraw/zinc/35/15/93/329351593.db2.gz YTIVGKUQWHYSBU-HOTGVXAUSA-N 2 1 298.540 3.620 20 0 CHADMP C[C@@H]1CC[N@@H+](CCCCc2ccccc2)C[C@@H]1n1ccnc1 ZINC000187299379 329356676 /nfs/dbraw/zinc/35/66/76/329356676.db2.gz ZCRBGNATXWPNJL-MJGOQNOKSA-N 2 1 297.446 3.789 20 0 CHADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1csc(Cl)c1 ZINC000230410034 329367728 /nfs/dbraw/zinc/36/77/28/329367728.db2.gz WKOTUWGZCIYVPJ-JBLDHEPKSA-N 2 1 272.845 3.535 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1csc(Cl)c1 ZINC000230410034 329367729 /nfs/dbraw/zinc/36/77/29/329367729.db2.gz WKOTUWGZCIYVPJ-JBLDHEPKSA-N 2 1 272.845 3.535 20 0 CHADMP C[N@@H+](Cc1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000231463079 329377678 /nfs/dbraw/zinc/37/76/78/329377678.db2.gz VKZQAVBBYJJXGP-LBPRGKRZSA-N 2 1 287.234 3.567 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H]2CC=CCC2)cc1F ZINC000237645602 329694565 /nfs/dbraw/zinc/69/45/65/329694565.db2.gz LJBXWWQZSQAFDP-OAHLLOKOSA-N 2 1 299.393 3.766 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]C(C)(C)Cc1ccc(C)cc1 ZINC000419340016 329718590 /nfs/dbraw/zinc/71/85/90/329718590.db2.gz VUTXBODFWJTYSW-UHFFFAOYSA-N 2 1 285.435 3.501 20 0 CHADMP FC(F)C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1 ZINC000420990348 329796037 /nfs/dbraw/zinc/79/60/37/329796037.db2.gz FJIDWGGHPLJWFA-INIZCTEOSA-N 2 1 296.405 3.849 20 0 CHADMP CC[C@H](C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000421871766 330100535 /nfs/dbraw/zinc/10/05/35/330100535.db2.gz GEHSZLNSVJVAHH-KANFNMMFSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379626048 330143227 /nfs/dbraw/zinc/14/32/27/330143227.db2.gz GORKDHFKKBGACY-FPAYPSAMSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379626048 330143228 /nfs/dbraw/zinc/14/32/28/330143228.db2.gz GORKDHFKKBGACY-FPAYPSAMSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C(C2CC2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379641566 330146137 /nfs/dbraw/zinc/14/61/37/330146137.db2.gz DFIOTFDEWZYAFK-DNVCBOLYSA-N 2 1 298.474 3.818 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C(C2CC2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000379641566 330146138 /nfs/dbraw/zinc/14/61/38/330146138.db2.gz DFIOTFDEWZYAFK-DNVCBOLYSA-N 2 1 298.474 3.818 20 0 CHADMP C[C@@H](CC[NH2+]C(C1CC1)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000379652504 330146142 /nfs/dbraw/zinc/14/61/42/330146142.db2.gz WZDZGSUECHFCMO-HNNXBMFYSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000422785865 330155031 /nfs/dbraw/zinc/15/50/31/330155031.db2.gz RWJDWPSLCCRZOV-IVZWLZJFSA-N 2 1 275.223 3.770 20 0 CHADMP c1ccc(-c2ccc(C[NH+]3CCC4(CC[NH2+]4)CC3)cc2)cc1 ZINC000422560409 330149219 /nfs/dbraw/zinc/14/92/19/330149219.db2.gz GRUJIQCYIIFQOL-UHFFFAOYSA-N 2 1 292.426 3.682 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1Cl ZINC000422754973 330153608 /nfs/dbraw/zinc/15/36/08/330153608.db2.gz HHVZFZMTXVYRNB-KYTZWMPUSA-N 2 1 299.245 3.927 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cccs1 ZINC000422766239 330154106 /nfs/dbraw/zinc/15/41/06/330154106.db2.gz RBCPHVJAWONDDL-NUEKZKHPSA-N 2 1 286.444 3.892 20 0 CHADMP C[C@@H]([NH2+]Cc1ccc(C(C)(C)C)cc1)c1c[nH+]ccc1N ZINC000422791523 330155342 /nfs/dbraw/zinc/15/53/42/330155342.db2.gz YPYZDKCZJXFOAH-CYBMUJFWSA-N 2 1 283.419 3.642 20 0 CHADMP C[C@H]([NH2+]CC1(c2ccccc2)CCCC1)c1c[nH+]ccc1N ZINC000422811891 330156147 /nfs/dbraw/zinc/15/61/47/330156147.db2.gz PUILYJKJNSFUCV-HNNXBMFYSA-N 2 1 295.430 3.657 20 0 CHADMP C[C@H]([NH2+]CCCC1CCCCC1)c1c[nH+]ccc1N ZINC000422853975 330157825 /nfs/dbraw/zinc/15/78/25/330157825.db2.gz ZSCXVOWXCAJEJD-ZDUSSCGKSA-N 2 1 261.413 3.505 20 0 CHADMP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422880956 330158992 /nfs/dbraw/zinc/15/89/92/330158992.db2.gz XZSOEYSQGYARAJ-BGTYHANMSA-N 2 1 272.436 3.648 20 0 CHADMP CCCOc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422898671 330159510 /nfs/dbraw/zinc/15/95/10/330159510.db2.gz MNXUUARXLFRSDF-RTBURBONSA-N 2 1 296.414 3.710 20 0 CHADMP C[C@@H]([NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1)[C@@H]1CC[NH2+]C1 ZINC000422940036 330161753 /nfs/dbraw/zinc/16/17/53/330161753.db2.gz MXVJXSOTTOXHSI-GHMZBOCLSA-N 2 1 299.245 3.570 20 0 CHADMP Cc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)ccc1Cl ZINC000423040728 330166542 /nfs/dbraw/zinc/16/65/42/330166542.db2.gz UZCOBYQDASGDEX-DLBZAZTESA-N 2 1 286.806 3.883 20 0 CHADMP [NH3+][C@H]1C[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)c2ccccc21 ZINC000423089015 330169052 /nfs/dbraw/zinc/16/90/52/330169052.db2.gz UGRTWOWLEYSMKX-FHWLQOOXSA-N 2 1 296.389 3.938 20 0 CHADMP C[C@H]([NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000423096443 330169698 /nfs/dbraw/zinc/16/96/98/330169698.db2.gz OVHAQMVZGTVLAW-ZFZWDLNGSA-N 2 1 292.854 3.706 20 0 CHADMP CC(F)(F)c1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000423127295 330171549 /nfs/dbraw/zinc/17/15/49/330171549.db2.gz BUGZWXFMFLAHQV-GJZGRUSLSA-N 2 1 282.378 3.548 20 0 CHADMP Cc1cc([C@@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)ccc1F ZINC000423144805 330172526 /nfs/dbraw/zinc/17/25/26/330172526.db2.gz ICCHHTCJNGBXTH-UUWFMWQGSA-N 2 1 284.378 3.930 20 0 CHADMP FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423158855 330173576 /nfs/dbraw/zinc/17/35/76/330173576.db2.gz XEPOMSAQAHPDTD-OAGGEKHMSA-N 2 1 294.389 3.505 20 0 CHADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc2ccccc2n1 ZINC000423175370 330174839 /nfs/dbraw/zinc/17/48/39/330174839.db2.gz DWASZHAYEOWCQB-CQSZACIVSA-N 2 1 283.419 3.547 20 0 CHADMP CC[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1cccc(F)c1 ZINC000423176302 330174870 /nfs/dbraw/zinc/17/48/70/330174870.db2.gz GNDOWQRQLGRIIX-OAHLLOKOSA-N 2 1 264.388 3.528 20 0 CHADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1cc2ccccc2o1 ZINC000423178936 330175105 /nfs/dbraw/zinc/17/51/05/330175105.db2.gz LIYQJSAZZYEHNS-CYBMUJFWSA-N 2 1 272.392 3.745 20 0 CHADMP Cc1ccc(C)c([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c1 ZINC000423194262 330176384 /nfs/dbraw/zinc/17/63/84/330176384.db2.gz YSLOKPVHCHIPBZ-QGZVFWFLSA-N 2 1 297.446 3.529 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(-c2ccccc2)o1 ZINC000423203352 330177044 /nfs/dbraw/zinc/17/70/44/330177044.db2.gz CHRMWKMWBSNRKF-GJZGRUSLSA-N 2 1 284.403 3.597 20 0 CHADMP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc2ccccc2n1 ZINC000423206938 330177293 /nfs/dbraw/zinc/17/72/93/330177293.db2.gz XHXHNVMZWLRTDV-HNNXBMFYSA-N 2 1 297.446 3.937 20 0 CHADMP COc1cc([C@@H](C)[NH2+]CC2([NH3+])CCCCCC2)ccc1F ZINC000423207642 330177379 /nfs/dbraw/zinc/17/73/79/330177379.db2.gz XXZBXHWDUXTLBW-CYBMUJFWSA-N 2 1 294.414 3.537 20 0 CHADMP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc2ccccc2n1 ZINC000423206939 330177453 /nfs/dbraw/zinc/17/74/53/330177453.db2.gz XHXHNVMZWLRTDV-OAHLLOKOSA-N 2 1 297.446 3.937 20 0 CHADMP CCC[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1cccnc1 ZINC000423208535 330177628 /nfs/dbraw/zinc/17/76/28/330177628.db2.gz YXZGGMVLWZOLCJ-MRXNPFEDSA-N 2 1 275.440 3.564 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000423259227 330183386 /nfs/dbraw/zinc/18/33/86/330183386.db2.gz DIQGCCLGVXWFOH-BHYGNILZSA-N 2 1 294.870 3.939 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000423259230 330183505 /nfs/dbraw/zinc/18/35/05/330183505.db2.gz DIQGCCLGVXWFOH-USXIJHARSA-N 2 1 294.870 3.939 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)s1 ZINC000423258967 330183525 /nfs/dbraw/zinc/18/35/25/330183525.db2.gz CSLRGCIFBNIHOT-JSGCOSHPSA-N 2 1 266.454 3.615 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423260682 330183751 /nfs/dbraw/zinc/18/37/51/330183751.db2.gz IBKIJYXWVUEVJN-HYVNUMGLSA-N 2 1 294.870 3.939 20 0 CHADMP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1Cl ZINC000423264507 330184187 /nfs/dbraw/zinc/18/41/87/330184187.db2.gz CCTDPDUVLUXFLA-IUODEOHRSA-N 2 1 298.858 3.761 20 0 CHADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000423287500 330186004 /nfs/dbraw/zinc/18/60/04/330186004.db2.gz MRJYXXRVWPZIQU-OAHLLOKOSA-N 2 1 298.430 3.654 20 0 CHADMP CC(C)Oc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1Cl ZINC000423287917 330186163 /nfs/dbraw/zinc/18/61/63/330186163.db2.gz PIKIFTCKDNNVKJ-LLVKDONJSA-N 2 1 284.831 3.515 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000423290386 330186886 /nfs/dbraw/zinc/18/68/86/330186886.db2.gz ZXTUNNBWSSDSKA-VIFPVBQESA-N 2 1 260.834 3.570 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000423298127 330188776 /nfs/dbraw/zinc/18/87/76/330188776.db2.gz NHARIQPQWURROR-GDBMZVCRSA-N 2 1 278.440 3.642 20 0 CHADMP [NH3+][C@@H](C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1)C1CC1 ZINC000423313177 330189836 /nfs/dbraw/zinc/18/98/36/330189836.db2.gz FGWSNIGBKHQCOE-LSDHHAIUSA-N 2 1 299.245 3.771 20 0 CHADMP [NH3+][C@@H](C[NH2+][C@H]1CCCSc2ccc(Cl)cc21)C1CC1 ZINC000423320079 330190280 /nfs/dbraw/zinc/19/02/80/330190280.db2.gz MAVYNHQRQHHQMZ-KBPBESRZSA-N 2 1 296.867 3.594 20 0 CHADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1cc(Cl)cc(Cl)c1 ZINC000423327043 330190601 /nfs/dbraw/zinc/19/06/01/330190601.db2.gz MRUOSHDUQDKAAS-SECBINFHSA-N 2 1 273.207 3.525 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)c2ccsc2S1 ZINC000423327621 330191021 /nfs/dbraw/zinc/19/10/21/330191021.db2.gz LMAYPACHTWKKIW-WHOFXGATSA-N 2 1 296.505 3.653 20 0 CHADMP CC(C)[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(F)ccc1F ZINC000423329188 330191287 /nfs/dbraw/zinc/19/12/87/330191287.db2.gz FCUUMNIYCBBYNY-IRXDYDNUSA-N 2 1 296.405 3.641 20 0 CHADMP C[C@@H](C[NH3+])[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000423359185 330193551 /nfs/dbraw/zinc/19/35/51/330193551.db2.gz CUYAEYKGSKBTJQ-SUMWQHHRSA-N 2 1 288.822 3.561 20 0 CHADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000423361347 330193747 /nfs/dbraw/zinc/19/37/47/330193747.db2.gz AFBBUOXAMJMFSB-MAZHCROVSA-N 2 1 280.843 3.693 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cccc(Cl)c1F ZINC000423365079 330194261 /nfs/dbraw/zinc/19/42/61/330194261.db2.gz CUKZBDUMDMRTCC-SWHYSGLUSA-N 2 1 284.806 3.518 20 0 CHADMP CCSc1ccccc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423367691 330194650 /nfs/dbraw/zinc/19/46/50/330194650.db2.gz DOMVSQJMOSCTNV-RDBSUJKOSA-N 2 1 278.465 3.590 20 0 CHADMP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000423396434 330195611 /nfs/dbraw/zinc/19/56/11/330195611.db2.gz UEEPZWHMWXDLLT-OBJOEFQTSA-N 2 1 296.842 3.530 20 0 CHADMP CCC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000423325552 330195664 /nfs/dbraw/zinc/19/56/64/330195664.db2.gz QECHFYQMCDITRD-LSDHHAIUSA-N 2 1 266.816 3.508 20 0 CHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423402519 330196283 /nfs/dbraw/zinc/19/62/83/330196283.db2.gz XVSZTESZXWFEQG-KWCYVHTRSA-N 2 1 272.392 3.532 20 0 CHADMP Cc1cc2cc([C@H](C)[NH2+][C@H]3CC[NH2+][C@@H](C)C3)oc2cc1C ZINC000423378153 330198929 /nfs/dbraw/zinc/19/89/29/330198929.db2.gz MHACFDQRZSDBRJ-DZKIICNBSA-N 2 1 286.419 3.841 20 0 CHADMP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000423436614 330201386 /nfs/dbraw/zinc/20/13/86/330201386.db2.gz FKHVSCRAOZTZRS-ZNMIVQPWSA-N 2 1 298.430 3.749 20 0 CHADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000423453506 330203174 /nfs/dbraw/zinc/20/31/74/330203174.db2.gz XSVBKBFLGZOWAP-KKUMJFAQSA-N 2 1 268.404 3.740 20 0 CHADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000423457412 330203721 /nfs/dbraw/zinc/20/37/21/330203721.db2.gz FOUGXRRVDJRTPM-YPMHNXCESA-N 2 1 284.856 3.594 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])CC)c1ccc(Cl)c(Cl)c1 ZINC000423461101 330204026 /nfs/dbraw/zinc/20/40/26/330204026.db2.gz JJWKCKHIFZAWFE-GXFFZTMASA-N 2 1 275.223 3.771 20 0 CHADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423519105 330209649 /nfs/dbraw/zinc/20/96/49/330209649.db2.gz ZXJIBKXODXWJJL-FZMZJTMJSA-N 2 1 295.496 3.743 20 0 CHADMP Cc1ccc(CCC[N@H+]2CCC[C@H]2c2ccccn2)cn1 ZINC000527509221 330254625 /nfs/dbraw/zinc/25/46/25/330254625.db2.gz AIUZLQVCTNVYFK-SFHVURJKSA-N 2 1 281.403 3.555 20 0 CHADMP Clc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000527794851 330283868 /nfs/dbraw/zinc/28/38/68/330283868.db2.gz AECZTRLHCMCOFI-YQQAZPJKSA-N 2 1 290.838 3.544 20 0 CHADMP Cc1cccc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C(C)C)c1 ZINC000527862057 330285290 /nfs/dbraw/zinc/28/52/90/330285290.db2.gz FROABDXSUNNWAP-RYQLBKOJSA-N 2 1 274.452 3.764 20 0 CHADMP Cc1cccc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)C)c1 ZINC000527862057 330285291 /nfs/dbraw/zinc/28/52/91/330285291.db2.gz FROABDXSUNNWAP-RYQLBKOJSA-N 2 1 274.452 3.764 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CC12CC2 ZINC000527872931 330290773 /nfs/dbraw/zinc/29/07/73/330290773.db2.gz UOPGUVLSLFUHNH-DKKFBQAASA-N 2 1 298.474 3.818 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CC12CC2 ZINC000527872931 330290774 /nfs/dbraw/zinc/29/07/74/330290774.db2.gz UOPGUVLSLFUHNH-DKKFBQAASA-N 2 1 298.474 3.818 20 0 CHADMP Cc1cccc([C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C(C)C)c1 ZINC000527876413 330291211 /nfs/dbraw/zinc/29/12/11/330291211.db2.gz NGDQLXFAYMEBII-SFHVURJKSA-N 2 1 272.436 3.544 20 0 CHADMP CC(C)c1cccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000527876399 330291230 /nfs/dbraw/zinc/29/12/30/330291230.db2.gz NAZPPHSMFPVKGP-OAHLLOKOSA-N 2 1 272.436 3.723 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3C[C@H]3C3CCC3)CC2)cc1 ZINC000424168259 330310115 /nfs/dbraw/zinc/31/01/15/330310115.db2.gz IEJNGUKSKNWCFR-ICSRJNTNSA-N 2 1 298.474 3.677 20 0 CHADMP CC(C)Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534594 330330031 /nfs/dbraw/zinc/33/00/31/330330031.db2.gz FHZWOOBSUGIPED-SJLPKXTDSA-N 2 1 288.479 3.878 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2C[C@H]4C[C@H]4C2)C3)cc1 ZINC000424342857 330341921 /nfs/dbraw/zinc/34/19/21/330341921.db2.gz GFWTVRXXJKAKSZ-FFLLIEHLSA-N 2 1 296.458 3.570 20 0 CHADMP CCC[NH+]1CCC([N@H+](C)CCSc2ccccc2)CC1 ZINC000117881963 330366242 /nfs/dbraw/zinc/36/62/42/330366242.db2.gz ZVYIBGMWUOMIDX-UHFFFAOYSA-N 2 1 292.492 3.585 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)CCSc2ccccc2)CC1 ZINC000117881963 330366243 /nfs/dbraw/zinc/36/62/43/330366243.db2.gz ZVYIBGMWUOMIDX-UHFFFAOYSA-N 2 1 292.492 3.585 20 0 CHADMP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(Cl)c(F)c1 ZINC000212775109 330367201 /nfs/dbraw/zinc/36/72/01/330367201.db2.gz HLDLWAJLJNPYKX-LBPRGKRZSA-N 2 1 284.806 3.616 20 0 CHADMP CC[N@H+]1CC[C@@H](NCc2ccc(C)cc2SC)[C@H](C)C1 ZINC000119271493 330371486 /nfs/dbraw/zinc/37/14/86/330371486.db2.gz DMQBWLNZMZSTTH-GDBMZVCRSA-N 2 1 292.492 3.537 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2SC)[C@H](C)C1 ZINC000119271493 330371488 /nfs/dbraw/zinc/37/14/88/330371488.db2.gz DMQBWLNZMZSTTH-GDBMZVCRSA-N 2 1 292.492 3.537 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)C1 ZINC000536948469 330373196 /nfs/dbraw/zinc/37/31/96/330373196.db2.gz UMGWULUHYFZVDP-KBXCAEBGSA-N 2 1 290.426 3.517 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2C=CCCC2)cc1 ZINC000090393039 330392284 /nfs/dbraw/zinc/39/22/84/330392284.db2.gz UWLFQCGTNSJYKB-PBHICJAKSA-N 2 1 281.403 3.940 20 0 CHADMP Cc1ncc([C@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)s1 ZINC000090418795 330392551 /nfs/dbraw/zinc/39/25/51/330392551.db2.gz MOOQJDWPYAPWFY-LBPRGKRZSA-N 2 1 293.480 3.509 20 0 CHADMP c1cc2[nH+]ccc(NCC3CC[NH+](C4CC4)CC3)c2s1 ZINC000444869532 330827043 /nfs/dbraw/zinc/82/70/43/330827043.db2.gz IHIDLLHUZAHZQL-UHFFFAOYSA-N 2 1 287.432 3.583 20 0 CHADMP CCC[C@H](C)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000447084510 330861017 /nfs/dbraw/zinc/86/10/17/330861017.db2.gz FOBRRXVBAPAQKR-AWEZNQCLSA-N 2 1 276.424 3.669 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@]1(C)CC(C)C ZINC000451290016 331023300 /nfs/dbraw/zinc/02/33/00/331023300.db2.gz LDCMOSLMOHJVCG-QGZVFWFLSA-N 2 1 277.456 3.872 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@]1(C)CC(C)C ZINC000451290016 331023301 /nfs/dbraw/zinc/02/33/01/331023301.db2.gz LDCMOSLMOHJVCG-QGZVFWFLSA-N 2 1 277.456 3.872 20 0 CHADMP CC[N@H+]1CCC[C@@H]1CN[C@@H](C)c1ccccc1SC ZINC000194834628 331063290 /nfs/dbraw/zinc/06/32/90/331063290.db2.gz SZVPIRQCQXPVLN-UONOGXRCSA-N 2 1 278.465 3.543 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2sccc21 ZINC000453058871 331085338 /nfs/dbraw/zinc/08/53/38/331085338.db2.gz ABXASFWYJFHPHJ-WBMJQRKESA-N 2 1 290.476 3.903 20 0 CHADMP CC[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccncc1 ZINC000453067758 331086073 /nfs/dbraw/zinc/08/60/73/331086073.db2.gz JDPWDOAWXNUYMX-SFHVURJKSA-N 2 1 289.467 3.777 20 0 CHADMP CC[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccncc1 ZINC000453067758 331086074 /nfs/dbraw/zinc/08/60/74/331086074.db2.gz JDPWDOAWXNUYMX-SFHVURJKSA-N 2 1 289.467 3.777 20 0 CHADMP CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](CCC)C1)C(C)(C)C ZINC000453086554 331087931 /nfs/dbraw/zinc/08/79/31/331087931.db2.gz HZQQKHDVCGYYHF-CABCVRRESA-N 2 1 254.462 3.523 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c2sccc21 ZINC000453126654 331091942 /nfs/dbraw/zinc/09/19/42/331091942.db2.gz YAFDOVILZGXAKL-OSFYFWSMSA-N 2 1 278.465 3.759 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c2sccc21 ZINC000453126654 331091943 /nfs/dbraw/zinc/09/19/43/331091943.db2.gz YAFDOVILZGXAKL-OSFYFWSMSA-N 2 1 278.465 3.759 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@H](C3CC3)C3CCC3)C2)cc1 ZINC000453220962 331103069 /nfs/dbraw/zinc/10/30/69/331103069.db2.gz PMWGHBNESVHUNA-PXNSSMCTSA-N 2 1 298.474 3.677 20 0 CHADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000453304218 331113680 /nfs/dbraw/zinc/11/36/80/331113680.db2.gz FMVNLVBZCNWRBL-WZGPROSRSA-N 2 1 286.463 3.533 20 0 CHADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000453304218 331113681 /nfs/dbraw/zinc/11/36/81/331113681.db2.gz FMVNLVBZCNWRBL-WZGPROSRSA-N 2 1 286.463 3.533 20 0 CHADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000453304217 331113774 /nfs/dbraw/zinc/11/37/74/331113774.db2.gz FMVNLVBZCNWRBL-OQIJWPOYSA-N 2 1 286.463 3.533 20 0 CHADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000453304217 331113775 /nfs/dbraw/zinc/11/37/75/331113775.db2.gz FMVNLVBZCNWRBL-OQIJWPOYSA-N 2 1 286.463 3.533 20 0 CHADMP C[C@@H](CCC(C)(C)C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453389449 331127004 /nfs/dbraw/zinc/12/70/04/331127004.db2.gz CKIIVANRRQLIQA-AWEZNQCLSA-N 2 1 254.462 3.665 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cs1 ZINC000453394396 331127773 /nfs/dbraw/zinc/12/77/73/331127773.db2.gz GSXJUMUYIVJBBE-CYBMUJFWSA-N 2 1 266.454 3.582 20 0 CHADMP Cc1ccc([C@H]([NH2+]CCCC[N@H+](C)C2CC2)C2CC2)cc1 ZINC000453396357 331127935 /nfs/dbraw/zinc/12/79/35/331127935.db2.gz IKRFRGJCHIRYIH-IBGZPJMESA-N 2 1 286.463 3.910 20 0 CHADMP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(F)c1 ZINC000453398657 331128266 /nfs/dbraw/zinc/12/82/66/331128266.db2.gz KSHUHWCPRUOTKT-KRWDZBQOSA-N 2 1 278.415 3.741 20 0 CHADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453410046 331129914 /nfs/dbraw/zinc/12/99/14/331129914.db2.gz UQWHTPFQBLZZHU-AWEZNQCLSA-N 2 1 294.870 3.735 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@@H](c1ccccc1)C1CC1)C1CC1 ZINC000453420181 331130515 /nfs/dbraw/zinc/13/05/15/331130515.db2.gz ZLPJEAKRBRBACT-SFHVURJKSA-N 2 1 272.436 3.602 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@H]1CCC[C@@H]1c1ccccc1)C1CC1 ZINC000453421016 331130613 /nfs/dbraw/zinc/13/06/13/331130613.db2.gz ZZWBJZQESZCXHA-MOPGFXCFSA-N 2 1 286.463 3.787 20 0 CHADMP CC[C@H](C[NH2+]CCCC[N@@H+](C)C1CC1)c1ccccc1 ZINC000453598194 331135611 /nfs/dbraw/zinc/13/56/11/331135611.db2.gz PIOJFVJPACWYHF-MRXNPFEDSA-N 2 1 274.452 3.644 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC000459361280 331278200 /nfs/dbraw/zinc/27/82/00/331278200.db2.gz FLCVGLPHLMTEOO-HNNXBMFYSA-N 2 1 297.446 3.763 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC000459361280 331278201 /nfs/dbraw/zinc/27/82/01/331278201.db2.gz FLCVGLPHLMTEOO-HNNXBMFYSA-N 2 1 297.446 3.763 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CC2CCC(F)(F)CC2)C[C@H]1C ZINC000459372639 331278784 /nfs/dbraw/zinc/27/87/84/331278784.db2.gz ZIKBRORCIYZHQU-HIFRSBDPSA-N 2 1 288.426 3.617 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CC2CCC(F)(F)CC2)C[C@H]1C ZINC000459372639 331278785 /nfs/dbraw/zinc/27/87/85/331278785.db2.gz ZIKBRORCIYZHQU-HIFRSBDPSA-N 2 1 288.426 3.617 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2CCC(F)(F)CC2)C[C@H]1C ZINC000459372639 331278786 /nfs/dbraw/zinc/27/87/86/331278786.db2.gz ZIKBRORCIYZHQU-HIFRSBDPSA-N 2 1 288.426 3.617 20 0 CHADMP Cn1c[nH+]cc1CC[NH2+]C(C)(C)CC1CCCCCC1 ZINC000459446469 331281701 /nfs/dbraw/zinc/28/17/01/331281701.db2.gz OUMVOSWEXYEGSP-UHFFFAOYSA-N 2 1 277.456 3.691 20 0 CHADMP C[C@@H]1CCCc2ccccc2[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459483070 331284350 /nfs/dbraw/zinc/28/43/50/331284350.db2.gz RGTBMKKHVAJSHH-QRWLVFNGSA-N 2 1 298.474 3.917 20 0 CHADMP C[C@H](CC1CCCCC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459516026 331285669 /nfs/dbraw/zinc/28/56/69/331285669.db2.gz NBOQWCKZASBPPS-CQSZACIVSA-N 2 1 264.457 3.562 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000459702285 331295068 /nfs/dbraw/zinc/29/50/68/331295068.db2.gz NOWRKGJRVVIUDP-RTBURBONSA-N 2 1 297.446 3.850 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000459702285 331295069 /nfs/dbraw/zinc/29/50/69/331295069.db2.gz NOWRKGJRVVIUDP-RTBURBONSA-N 2 1 297.446 3.850 20 0 CHADMP Cc1cccc(CC[C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000459729683 331296335 /nfs/dbraw/zinc/29/63/35/331296335.db2.gz DILDNPYRCFKHIX-HKUYNNGSSA-N 2 1 288.479 3.638 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCC[C@H]1C ZINC000459730573 331296416 /nfs/dbraw/zinc/29/64/16/331296416.db2.gz DVRXDEPTRUSJJV-NCOADZHNSA-N 2 1 266.473 3.523 20 0 CHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2csc3ccccc23)C1 ZINC000459730545 331296475 /nfs/dbraw/zinc/29/64/75/331296475.db2.gz KPGBVNFHKWTYCE-AWEZNQCLSA-N 2 1 288.460 3.723 20 0 CHADMP C[C@@H]1[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC000459793126 331301206 /nfs/dbraw/zinc/30/12/06/331301206.db2.gz SVGFJPTVOUVWLN-QFHJOOASSA-N 2 1 286.463 3.500 20 0 CHADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCCCC1 ZINC000462749660 331327288 /nfs/dbraw/zinc/32/72/88/331327288.db2.gz ULYLUOSNHAFPOD-INIZCTEOSA-N 2 1 252.446 3.563 20 0 CHADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+]C1CCCCC1 ZINC000462749660 331327289 /nfs/dbraw/zinc/32/72/89/331327289.db2.gz ULYLUOSNHAFPOD-INIZCTEOSA-N 2 1 252.446 3.563 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)c(C)c2)[C@H](C)C1 ZINC000462823377 331331275 /nfs/dbraw/zinc/33/12/75/331331275.db2.gz UCLDGABSPGXYJB-PBHICJAKSA-N 2 1 294.870 3.511 20 0 CHADMP CC(C)=CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463278712 331344757 /nfs/dbraw/zinc/34/47/57/331344757.db2.gz HHCKPSXJRAKFFR-HKUYNNGSSA-N 2 1 286.463 3.985 20 0 CHADMP CC(C)=CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463278712 331344758 /nfs/dbraw/zinc/34/47/58/331344758.db2.gz HHCKPSXJRAKFFR-HKUYNNGSSA-N 2 1 286.463 3.985 20 0 CHADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463437923 331347784 /nfs/dbraw/zinc/34/77/84/331347784.db2.gz VABNKIJHXFHWFB-MJBXVCDLSA-N 2 1 292.389 3.524 20 0 CHADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463437923 331347785 /nfs/dbraw/zinc/34/77/85/331347785.db2.gz VABNKIJHXFHWFB-MJBXVCDLSA-N 2 1 292.389 3.524 20 0 CHADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463437923 331347786 /nfs/dbraw/zinc/34/77/86/331347786.db2.gz VABNKIJHXFHWFB-MJBXVCDLSA-N 2 1 292.389 3.524 20 0 CHADMP C[C@H]1C[C@H](CC[NH2+]C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC000466359503 331393293 /nfs/dbraw/zinc/39/32/93/331393293.db2.gz OQODJKNEYLZAGG-GJZGRUSLSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000474616229 331592016 /nfs/dbraw/zinc/59/20/16/331592016.db2.gz YOJZLXIEYKWOBJ-GDZNZVCISA-N 2 1 294.870 3.762 20 0 CHADMP CC(C)[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cc(F)ccc1F ZINC000479331514 331724922 /nfs/dbraw/zinc/72/49/22/331724922.db2.gz QZYAEPNCBGKODN-MRXNPFEDSA-N 2 1 298.421 3.839 20 0 CHADMP CC(C)[C@H]([NH2+]CCC[NH+]1CCCC1)c1cc(F)ccc1F ZINC000479336834 331725085 /nfs/dbraw/zinc/72/50/85/331725085.db2.gz QFNMYDANNVKNSZ-KRWDZBQOSA-N 2 1 296.405 3.737 20 0 CHADMP C[C@@H](CCCC(F)(F)F)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000480337898 331768784 /nfs/dbraw/zinc/76/87/84/331768784.db2.gz SYNNWNQLHLHNCT-ZDUSSCGKSA-N 2 1 294.405 3.962 20 0 CHADMP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccsc1 ZINC000480601745 331779519 /nfs/dbraw/zinc/77/95/19/331779519.db2.gz QWSNHTKEHHLPOG-KFWWJZLASA-N 2 1 280.481 3.767 20 0 CHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccco1 ZINC000484286344 331895592 /nfs/dbraw/zinc/89/55/92/331895592.db2.gz ACUODKIJCOTUOX-HRCADAONSA-N 2 1 278.440 3.831 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000488414449 332005622 /nfs/dbraw/zinc/00/56/22/332005622.db2.gz FDNSSRUNMYGHDN-GPMSIDNRSA-N 2 1 286.463 3.664 20 0 CHADMP CC(C)[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)CS1 ZINC000488432047 332007646 /nfs/dbraw/zinc/00/76/46/332007646.db2.gz LGLOVZYLDVCOAO-ZACQAIPSSA-N 2 1 298.540 3.761 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000488433279 332007659 /nfs/dbraw/zinc/00/76/59/332007659.db2.gz HQRDMIPDTBKDQM-OAGGEKHMSA-N 2 1 298.540 3.761 20 0 CHADMP C[C@@H]([NH2+]C1CCC2(CC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000488508867 332014631 /nfs/dbraw/zinc/01/46/31/332014631.db2.gz UNYIZGSNWATALE-HZPDHXFCSA-N 2 1 290.495 3.952 20 0 CHADMP CC[C@@H]1C[C@H](C)C[NH+]1CCC[N@@H+]1C[C@@H](C)C[C@H]1CC ZINC000489296638 332045912 /nfs/dbraw/zinc/04/59/12/332045912.db2.gz SKGPLVRTXLAOLG-MWDXBVQZSA-N 2 1 266.473 3.617 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2cccc(F)c2)C[C@@H]1C ZINC000490013114 332076547 /nfs/dbraw/zinc/07/65/47/332076547.db2.gz LPTZFKFIPZBQGS-MAUKXSAKSA-N 2 1 292.442 3.563 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2cccc(F)c2)C[C@@H]1C ZINC000490013114 332076549 /nfs/dbraw/zinc/07/65/49/332076549.db2.gz LPTZFKFIPZBQGS-MAUKXSAKSA-N 2 1 292.442 3.563 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2cccc(F)c2)C[C@@H]1C ZINC000490013114 332076550 /nfs/dbraw/zinc/07/65/50/332076550.db2.gz LPTZFKFIPZBQGS-MAUKXSAKSA-N 2 1 292.442 3.563 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2cccc(F)c2)C[C@H]1C ZINC000490013117 332076626 /nfs/dbraw/zinc/07/66/26/332076626.db2.gz LPTZFKFIPZBQGS-QAPCUYQASA-N 2 1 292.442 3.563 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2cccc(F)c2)C[C@H]1C ZINC000490013117 332076629 /nfs/dbraw/zinc/07/66/29/332076629.db2.gz LPTZFKFIPZBQGS-QAPCUYQASA-N 2 1 292.442 3.563 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2cccc(F)c2)C[C@H]1C ZINC000490013117 332076630 /nfs/dbraw/zinc/07/66/30/332076630.db2.gz LPTZFKFIPZBQGS-QAPCUYQASA-N 2 1 292.442 3.563 20 0 CHADMP C[N@@H+](C1CCN(Cc2ccccc2)CC1)[C@H]1C=CCCC1 ZINC000172268906 335098958 /nfs/dbraw/zinc/09/89/58/335098958.db2.gz VMWNIFYOEKWHBB-SFHVURJKSA-N 2 1 284.447 3.692 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)oc1C ZINC000502695810 332669018 /nfs/dbraw/zinc/66/90/18/332669018.db2.gz AMCBSOUINIMWSO-HIFRSBDPSA-N 2 1 278.440 3.669 20 0 CHADMP C[N@H+](C[C@@H]1CC=CCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513462890 333021154 /nfs/dbraw/zinc/02/11/54/333021154.db2.gz YTEHANCYOYDULK-GOSISDBHSA-N 2 1 298.474 3.939 20 0 CHADMP C[N@@H+](C[C@@H]1CC=CCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513462890 333021155 /nfs/dbraw/zinc/02/11/55/333021155.db2.gz YTEHANCYOYDULK-GOSISDBHSA-N 2 1 298.474 3.939 20 0 CHADMP C[C@@H]1C[C@H](CC[NH2+]C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000513545564 333024885 /nfs/dbraw/zinc/02/48/85/333024885.db2.gz RGVASHMYGIDCJY-AEFFLSMTSA-N 2 1 286.463 3.819 20 0 CHADMP CCC(CC)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309759387 333048840 /nfs/dbraw/zinc/04/88/40/333048840.db2.gz CQCQKKBNDKBEIT-QFBILLFUSA-N 2 1 288.479 3.923 20 0 CHADMP CC[C@@H](C)C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000309878672 333050620 /nfs/dbraw/zinc/05/06/20/333050620.db2.gz VDLVGKRSNXWFRE-IEBWSBKVSA-N 2 1 288.479 3.924 20 0 CHADMP C[NH+](C/C=C/C[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000514077808 333064983 /nfs/dbraw/zinc/06/49/83/333064983.db2.gz ZYMSXEPOQNNKKC-MDZDMXLPSA-N 2 1 294.442 3.807 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCC12CC2 ZINC000516787265 333082521 /nfs/dbraw/zinc/08/25/21/333082521.db2.gz UDDRGAZRHMJKOH-CVEARBPZSA-N 2 1 264.457 3.563 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCC12CC2 ZINC000516787267 333082691 /nfs/dbraw/zinc/08/26/91/333082691.db2.gz UDDRGAZRHMJKOH-HZPDHXFCSA-N 2 1 264.457 3.563 20 0 CHADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCCC3CCCCC3)C2)C1 ZINC000516796625 333082754 /nfs/dbraw/zinc/08/27/54/333082754.db2.gz NIGGVKNOIDREIB-SFHVURJKSA-N 2 1 278.484 3.765 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000516896322 333085598 /nfs/dbraw/zinc/08/55/98/333085598.db2.gz GIZDARIMIUXBOC-MJBXVCDLSA-N 2 1 294.405 3.818 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000516896322 333085599 /nfs/dbraw/zinc/08/55/99/333085599.db2.gz GIZDARIMIUXBOC-MJBXVCDLSA-N 2 1 294.405 3.818 20 0 CHADMP CC/C=C\C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000517029689 333090279 /nfs/dbraw/zinc/09/02/79/333090279.db2.gz AYDBZWGXQYIADG-BHSUKZTGSA-N 2 1 284.447 3.739 20 0 CHADMP CC/C=C\C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000517029689 333090280 /nfs/dbraw/zinc/09/02/80/333090280.db2.gz AYDBZWGXQYIADG-BHSUKZTGSA-N 2 1 284.447 3.739 20 0 CHADMP CCc1ccc([C@H]([NH2+]CCCc2c[nH+]cn2C)C(C)C)cc1 ZINC000521063473 333110767 /nfs/dbraw/zinc/11/07/67/333110767.db2.gz WQTOUELNEXKKBZ-LJQANCHMSA-N 2 1 299.462 3.902 20 0 CHADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000186104837 333154920 /nfs/dbraw/zinc/15/49/20/333154920.db2.gz XWMDNTQVDOHRPN-VQIMIIECSA-N 2 1 298.474 3.755 20 0 CHADMP COc1ccsc1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000186117113 333155347 /nfs/dbraw/zinc/15/53/47/333155347.db2.gz JSBASDIEKCEMAT-KBPBESRZSA-N 2 1 296.480 3.529 20 0 CHADMP CCC[NH+](CCC)CCC[NH2+]Cc1ccc(F)c(C)c1 ZINC000521830289 333191956 /nfs/dbraw/zinc/19/19/56/333191956.db2.gz PBONSKPFDNHMML-UHFFFAOYSA-N 2 1 280.431 3.736 20 0 CHADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222827309 333200655 /nfs/dbraw/zinc/20/06/55/333200655.db2.gz NSNOBHHMLOTPLY-RYRKJORJSA-N 2 1 288.479 3.815 20 0 CHADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222827309 333200657 /nfs/dbraw/zinc/20/06/57/333200657.db2.gz NSNOBHHMLOTPLY-RYRKJORJSA-N 2 1 288.479 3.815 20 0 CHADMP Cc1c[nH+]ccc1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000192669735 333237569 /nfs/dbraw/zinc/23/75/69/333237569.db2.gz OEPSFQIUQNBUPY-AEFFLSMTSA-N 2 1 295.430 3.855 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](CC(C)C)C2)CC1 ZINC000230770150 333321536 /nfs/dbraw/zinc/32/15/36/333321536.db2.gz YXTWKSQHRJCEJK-RDJZCZTQSA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)[C@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000232753614 333342170 /nfs/dbraw/zinc/34/21/70/333342170.db2.gz LAMGQYPKFYJVFS-LPHOPBHVSA-N 2 1 286.463 3.500 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000524155929 333354605 /nfs/dbraw/zinc/35/46/05/333354605.db2.gz ZBPIBVMZAZJVOT-MRXNPFEDSA-N 2 1 274.452 3.800 20 0 CHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC2CCCC2)C1 ZINC000524356424 333360585 /nfs/dbraw/zinc/36/05/85/333360585.db2.gz OBNCLYCAXKJPHS-WMZOPIPTSA-N 2 1 278.484 3.763 20 0 CHADMP C[N@@H+](CCC[NH2+]Cc1cccc2[nH]ccc21)C1CCCCC1 ZINC000237084079 333377522 /nfs/dbraw/zinc/37/75/22/333377522.db2.gz RGEQLDUBXGHVIW-UHFFFAOYSA-N 2 1 299.462 3.912 20 0 CHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000237478031 333379780 /nfs/dbraw/zinc/37/97/80/333379780.db2.gz DDLMBIBMXPOCAW-CVEARBPZSA-N 2 1 286.463 3.807 20 0 CHADMP CC(C)C1([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000575987813 335138911 /nfs/dbraw/zinc/13/89/11/335138911.db2.gz LFUXVWGLPAWMGZ-SFHVURJKSA-N 2 1 298.474 3.962 20 0 CHADMP CC(C)C1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000575987813 335138912 /nfs/dbraw/zinc/13/89/12/335138912.db2.gz LFUXVWGLPAWMGZ-SFHVURJKSA-N 2 1 298.474 3.962 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H](c2ccccc2)C(C)(C)C)CC1 ZINC000036994577 333454244 /nfs/dbraw/zinc/45/42/44/333454244.db2.gz YKHCVSVDAPVENA-QGZVFWFLSA-N 2 1 274.452 3.848 20 0 CHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(Cl)s3)C2)CC1 ZINC000576028601 335143206 /nfs/dbraw/zinc/14/32/06/335143206.db2.gz MHCSANQWPISQKZ-ZDUSSCGKSA-N 2 1 298.883 3.565 20 0 CHADMP CC(C)(C)CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000037488741 333533756 /nfs/dbraw/zinc/53/37/56/333533756.db2.gz QQCGLCHZXSAPTM-UHFFFAOYSA-N 2 1 274.452 3.677 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)C2CCC2)o1 ZINC000543592975 333882616 /nfs/dbraw/zinc/88/26/16/333882616.db2.gz ZDSBRKABYFJZKQ-XYJFISCASA-N 2 1 290.451 3.892 20 0 CHADMP Cc1ccc([C@@H]2CCCC[N@H+]2CCCc2c[nH+]cn2C)cc1 ZINC000576169287 335164212 /nfs/dbraw/zinc/16/42/12/335164212.db2.gz DPKKSMGTNJCTRI-IBGZPJMESA-N 2 1 297.446 3.888 20 0 CHADMP Cc1ccc([C@@H]2CCCC[N@@H+]2CCCc2c[nH+]cn2C)cc1 ZINC000576169287 335164213 /nfs/dbraw/zinc/16/42/13/335164213.db2.gz DPKKSMGTNJCTRI-IBGZPJMESA-N 2 1 297.446 3.888 20 0 CHADMP CC(C)=CCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000564304657 334039780 /nfs/dbraw/zinc/03/97/80/334039780.db2.gz MEHMVYNVPUSEQN-IEBWSBKVSA-N 2 1 286.463 3.843 20 0 CHADMP C[C@@H](CCc1ccc(Cl)s1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000546656486 334043937 /nfs/dbraw/zinc/04/39/37/334043937.db2.gz PXTWAUCSWWITHM-LBPRGKRZSA-N 2 1 298.883 3.574 20 0 CHADMP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cc(F)cc(F)c1 ZINC000546932078 334055784 /nfs/dbraw/zinc/05/57/84/334055784.db2.gz LLEIFPOCFZQWFF-CYBMUJFWSA-N 2 1 296.405 3.737 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc2c(c1)CCCC2 ZINC000546936299 334056616 /nfs/dbraw/zinc/05/66/16/334056616.db2.gz ZJUDOBWAPLXPON-KXBFYZLASA-N 2 1 286.463 3.700 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000548884513 334178971 /nfs/dbraw/zinc/17/89/71/334178971.db2.gz QGRVGXVFOKEJIT-JUSBFGHESA-N 2 1 298.474 3.818 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC000548884513 334178972 /nfs/dbraw/zinc/17/89/72/334178972.db2.gz QGRVGXVFOKEJIT-JUSBFGHESA-N 2 1 298.474 3.818 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1F ZINC000548884478 334179001 /nfs/dbraw/zinc/17/90/01/334179001.db2.gz KLMHKVCOMBIZJR-UXLLHSPISA-N 2 1 299.393 3.598 20 0 CHADMP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245430494 334192438 /nfs/dbraw/zinc/19/24/38/334192438.db2.gz AEQIYDFIRONYDC-CVEARBPZSA-N 2 1 290.426 3.695 20 0 CHADMP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245430494 334192439 /nfs/dbraw/zinc/19/24/39/334192439.db2.gz AEQIYDFIRONYDC-CVEARBPZSA-N 2 1 290.426 3.695 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3ccccc3o2)[C@@H](C)C1 ZINC000246916301 334271837 /nfs/dbraw/zinc/27/18/37/334271837.db2.gz MUMOSNRRFIJQIK-YOEHRIQHSA-N 2 1 286.419 3.595 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3ccccc3o2)[C@@H](C)C1 ZINC000246916301 334271839 /nfs/dbraw/zinc/27/18/39/334271839.db2.gz MUMOSNRRFIJQIK-YOEHRIQHSA-N 2 1 286.419 3.595 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3ccccc3o2)[C@@H](C)C1 ZINC000246916301 334271841 /nfs/dbraw/zinc/27/18/41/334271841.db2.gz MUMOSNRRFIJQIK-YOEHRIQHSA-N 2 1 286.419 3.595 20 0 CHADMP CCSc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247156221 334276707 /nfs/dbraw/zinc/27/67/07/334276707.db2.gz XLNWJCIKHAXCTA-DZKIICNBSA-N 2 1 292.492 3.932 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cc2ccccc2o1 ZINC000247147542 334276540 /nfs/dbraw/zinc/27/65/40/334276540.db2.gz RIHRVXKZEWKKBT-NUEKZKHPSA-N 2 1 286.419 3.956 20 0 CHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C2CCCC2)C1 ZINC000245690001 334212813 /nfs/dbraw/zinc/21/28/13/334212813.db2.gz VVGVLJFAHWKENS-HZPDHXFCSA-N 2 1 264.457 3.515 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000245690001 334212814 /nfs/dbraw/zinc/21/28/14/334212814.db2.gz VVGVLJFAHWKENS-HZPDHXFCSA-N 2 1 264.457 3.515 20 0 CHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000245690001 334212815 /nfs/dbraw/zinc/21/28/15/334212815.db2.gz VVGVLJFAHWKENS-HZPDHXFCSA-N 2 1 264.457 3.515 20 0 CHADMP CC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000245697654 334213318 /nfs/dbraw/zinc/21/33/18/334213318.db2.gz LGKBHGWZPWMGDW-REPLKXPHSA-N 2 1 298.474 3.962 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000246978881 334273067 /nfs/dbraw/zinc/27/30/67/334273067.db2.gz JXVPBUMZWCKRET-OXJNMPFZSA-N 2 1 296.458 3.702 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)CCC(C)(C)C)C1 ZINC000551532668 334252827 /nfs/dbraw/zinc/25/28/27/334252827.db2.gz DFJXPEYYBUANBB-HUUCEWRRSA-N 2 1 254.462 3.523 20 0 CHADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000247007048 334273788 /nfs/dbraw/zinc/27/37/88/334273788.db2.gz LYGMBDLOXJPNDT-SJORKVTESA-N 2 1 266.473 3.831 20 0 CHADMP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)o1 ZINC000550619085 334225541 /nfs/dbraw/zinc/22/55/41/334225541.db2.gz KHOSTAGNECJQOX-PKOBYXMFSA-N 2 1 298.430 3.556 20 0 CHADMP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)o1 ZINC000550619085 334225542 /nfs/dbraw/zinc/22/55/42/334225542.db2.gz KHOSTAGNECJQOX-PKOBYXMFSA-N 2 1 298.430 3.556 20 0 CHADMP CCSc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000247156221 334276709 /nfs/dbraw/zinc/27/67/09/334276709.db2.gz XLNWJCIKHAXCTA-DZKIICNBSA-N 2 1 292.492 3.932 20 0 CHADMP CC1=CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000551266320 334243992 /nfs/dbraw/zinc/24/39/92/334243992.db2.gz ZWVOSERHOGTCPR-LJQANCHMSA-N 2 1 298.474 3.782 20 0 CHADMP CC1=CC[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000551268315 334244160 /nfs/dbraw/zinc/24/41/60/334244160.db2.gz VHIKRBGYTFBYGZ-SJORKVTESA-N 2 1 264.457 3.587 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+](CCCCCF)CC1 ZINC000551380951 334248463 /nfs/dbraw/zinc/24/84/63/334248463.db2.gz PPNCJTBLKGHXRE-UHFFFAOYSA-N 2 1 272.452 3.570 20 0 CHADMP CCC1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000551525854 334252595 /nfs/dbraw/zinc/25/25/95/334252595.db2.gz TWCPASWQSCBQEV-JVDULTGUSA-N 2 1 286.463 3.675 20 0 CHADMP CCC1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000551525854 334252596 /nfs/dbraw/zinc/25/25/96/334252596.db2.gz TWCPASWQSCBQEV-JVDULTGUSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC2(C)C)CC1 ZINC000551530892 334252728 /nfs/dbraw/zinc/25/27/28/334252728.db2.gz ZFOWJOHFGNZNRH-YJBOKZPZSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)o1 ZINC000247125847 334276228 /nfs/dbraw/zinc/27/62/28/334276228.db2.gz YZZYLQJLSXZMSA-XMDYXPCOSA-N 2 1 288.435 3.508 20 0 CHADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)o1 ZINC000247125847 334276230 /nfs/dbraw/zinc/27/62/30/334276230.db2.gz YZZYLQJLSXZMSA-XMDYXPCOSA-N 2 1 288.435 3.508 20 0 CHADMP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246846431 334270652 /nfs/dbraw/zinc/27/06/52/334270652.db2.gz BWAWULQXDKNTQJ-ARFHVFGLSA-N 2 1 290.451 3.527 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2SC)[C@@H](C)C1 ZINC000246882379 334271138 /nfs/dbraw/zinc/27/11/38/334271138.db2.gz DMQBWLNZMZSTTH-HOCLYGCPSA-N 2 1 292.492 3.537 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2SC)[C@@H](C)C1 ZINC000246882379 334271139 /nfs/dbraw/zinc/27/11/39/334271139.db2.gz DMQBWLNZMZSTTH-HOCLYGCPSA-N 2 1 292.492 3.537 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1(C)CC1 ZINC000247219917 334277679 /nfs/dbraw/zinc/27/76/79/334277679.db2.gz WILCCYCJJUFVPE-NUJGCVRESA-N 2 1 286.463 3.818 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1(C)CC1 ZINC000247219917 334277680 /nfs/dbraw/zinc/27/76/80/334277680.db2.gz WILCCYCJJUFVPE-NUJGCVRESA-N 2 1 286.463 3.818 20 0 CHADMP C[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)c1ccccc1 ZINC000552048963 334281510 /nfs/dbraw/zinc/28/15/10/334281510.db2.gz FZXMMFONQREKTI-LULLPPNCSA-N 2 1 286.463 3.643 20 0 CHADMP C[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000552048965 334281564 /nfs/dbraw/zinc/28/15/64/334281564.db2.gz FZXMMFONQREKTI-OWYHZJEWSA-N 2 1 286.463 3.643 20 0 CHADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000247503803 334283213 /nfs/dbraw/zinc/28/32/13/334283213.db2.gz LYOOWHYPBOQGCH-WMZOPIPTSA-N 2 1 274.452 3.801 20 0 CHADMP CC1CC[NH+](C[C@H]2CCC[N@H+]([C@@H]3C=CCCC3)C2)CC1 ZINC000247509704 334283297 /nfs/dbraw/zinc/28/32/97/334283297.db2.gz VSALUWKASWTWLR-QZTJIDSGSA-N 2 1 276.468 3.539 20 0 CHADMP C[C@@H]1CC[C@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000552091147 334288248 /nfs/dbraw/zinc/28/82/48/334288248.db2.gz CFVNAMUBMOBDJZ-JYPHPWERSA-N 2 1 286.463 3.818 20 0 CHADMP CC1=CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000552133214 334293472 /nfs/dbraw/zinc/29/34/72/334293472.db2.gz BNGLXSIIPQIZAM-HOJAQTOUSA-N 2 1 298.474 3.985 20 0 CHADMP CC1=CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000552133214 334293475 /nfs/dbraw/zinc/29/34/75/334293475.db2.gz BNGLXSIIPQIZAM-HOJAQTOUSA-N 2 1 298.474 3.985 20 0 CHADMP CC1=CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000552133216 334293530 /nfs/dbraw/zinc/29/35/30/334293530.db2.gz BNGLXSIIPQIZAM-YSIASYRMSA-N 2 1 298.474 3.985 20 0 CHADMP CC1=CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000552133216 334293531 /nfs/dbraw/zinc/29/35/31/334293531.db2.gz BNGLXSIIPQIZAM-YSIASYRMSA-N 2 1 298.474 3.985 20 0 CHADMP Cc1ccccc1[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000248135323 334295668 /nfs/dbraw/zinc/29/56/68/334295668.db2.gz XIXDUCCUQVDVII-SJLPKXTDSA-N 2 1 272.436 3.616 20 0 CHADMP Cc1ccccc1[C@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000248135323 334295669 /nfs/dbraw/zinc/29/56/69/334295669.db2.gz XIXDUCCUQVDVII-SJLPKXTDSA-N 2 1 272.436 3.616 20 0 CHADMP C[C@H](CCc1cccc(F)c1)[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000248390966 334299767 /nfs/dbraw/zinc/29/97/67/334299767.db2.gz UODSPOJBOUMOPP-RKVPGOIHSA-N 2 1 292.442 3.561 20 0 CHADMP C[C@H](CCc1cccc(F)c1)[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000248390966 334299768 /nfs/dbraw/zinc/29/97/68/334299768.db2.gz UODSPOJBOUMOPP-RKVPGOIHSA-N 2 1 292.442 3.561 20 0 CHADMP C[C@H](CCc1cccc(F)c1)[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000248390966 334299769 /nfs/dbraw/zinc/29/97/69/334299769.db2.gz UODSPOJBOUMOPP-RKVPGOIHSA-N 2 1 292.442 3.561 20 0 CHADMP C[C@H](CCc1cccc(F)c1)[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248390966 334299770 /nfs/dbraw/zinc/29/97/70/334299770.db2.gz UODSPOJBOUMOPP-RKVPGOIHSA-N 2 1 292.442 3.561 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248397592 334299995 /nfs/dbraw/zinc/29/99/95/334299995.db2.gz ICVXLZSOBBQCCT-JZXOWHBKSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CC=CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248401252 334300311 /nfs/dbraw/zinc/30/03/11/334300311.db2.gz LQSQOFQRMGBBTK-BBWFWOEESA-N 2 1 276.468 3.585 20 0 CHADMP CCC[C@@H](NCCC[N@H+]1CCCC[C@H]1C)c1cccnc1 ZINC000248481311 334303704 /nfs/dbraw/zinc/30/37/04/334303704.db2.gz BCTPORCEZIEBTN-SJLPKXTDSA-N 2 1 289.467 3.777 20 0 CHADMP CCC[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cccnc1 ZINC000248481311 334303705 /nfs/dbraw/zinc/30/37/05/334303705.db2.gz BCTPORCEZIEBTN-SJLPKXTDSA-N 2 1 289.467 3.777 20 0 CHADMP CCC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cccnc1 ZINC000248481311 334303706 /nfs/dbraw/zinc/30/37/06/334303706.db2.gz BCTPORCEZIEBTN-SJLPKXTDSA-N 2 1 289.467 3.777 20 0 CHADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000552225802 334305519 /nfs/dbraw/zinc/30/55/19/334305519.db2.gz OKSOMHYUEVBNAG-ULQDDVLXSA-N 2 1 266.473 3.665 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000552239559 334307190 /nfs/dbraw/zinc/30/71/90/334307190.db2.gz XIWMNJJQNBZMDL-RNQOJCNYSA-N 2 1 298.474 3.569 20 0 CHADMP C[C@H](CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000248744291 334315635 /nfs/dbraw/zinc/31/56/35/334315635.db2.gz AQUZMLVODMBMNT-NZSAHSFTSA-N 2 1 286.463 3.596 20 0 CHADMP C[C@H](CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000248744291 334315636 /nfs/dbraw/zinc/31/56/36/334315636.db2.gz AQUZMLVODMBMNT-NZSAHSFTSA-N 2 1 286.463 3.596 20 0 CHADMP C[C@H](CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000248744291 334315637 /nfs/dbraw/zinc/31/56/37/334315637.db2.gz AQUZMLVODMBMNT-NZSAHSFTSA-N 2 1 286.463 3.596 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000249203623 334330124 /nfs/dbraw/zinc/33/01/24/334330124.db2.gz UZEIDMTYZZHKME-KPFFTGBYSA-N 2 1 298.474 3.571 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccccc2SC)C1 ZINC000249547262 334336187 /nfs/dbraw/zinc/33/61/87/334336187.db2.gz KHYKGCKTEUJKCT-CABCVRRESA-N 2 1 292.492 3.791 20 0 CHADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)s1 ZINC000251074747 334355814 /nfs/dbraw/zinc/35/58/14/334355814.db2.gz LBKPZSPCSLLRRF-QEJZJMRPSA-N 2 1 278.465 3.642 20 0 CHADMP CC(C)CC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000251433108 334361481 /nfs/dbraw/zinc/36/14/81/334361481.db2.gz SMZVNUGHTXUUIH-SJORKVTESA-N 2 1 278.484 3.809 20 0 CHADMP CC(C)CC(CC(C)C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251441208 334361636 /nfs/dbraw/zinc/36/16/36/334361636.db2.gz VIJHZOKCTOVOJG-RDJZCZTQSA-N 2 1 266.473 3.664 20 0 CHADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC000251801040 334370092 /nfs/dbraw/zinc/37/00/92/334370092.db2.gz OCDLAQPZLSMJNV-IXDOHACOSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC000252730753 334387602 /nfs/dbraw/zinc/38/76/02/334387602.db2.gz MSNICOWNBXQWGF-ZGRYLRDCSA-N 2 1 280.500 3.769 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252775780 334392285 /nfs/dbraw/zinc/39/22/85/334392285.db2.gz NVGDUAJFFPGGBT-PMUMKWKESA-N 2 1 268.404 3.570 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252775779 334392367 /nfs/dbraw/zinc/39/23/67/334392367.db2.gz NVGDUAJFFPGGBT-IYOUNJFTSA-N 2 1 268.404 3.570 20 0 CHADMP CC[C@H](C)C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000093075586 334442588 /nfs/dbraw/zinc/44/25/88/334442588.db2.gz BFXKGCQAHACPCG-HOTGVXAUSA-N 2 1 274.452 3.848 20 0 CHADMP CC(C)[NH2+]CCC[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000567639077 334744738 /nfs/dbraw/zinc/74/47/38/334744738.db2.gz QWANLCIFQGYSNN-HNNXBMFYSA-N 2 1 296.842 3.531 20 0 CHADMP CCC[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccccn1 ZINC000158508961 334803937 /nfs/dbraw/zinc/80/39/37/334803937.db2.gz HHWHPLFDDCINEC-KRWDZBQOSA-N 2 1 289.467 3.634 20 0 CHADMP CC(C)=CCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000276764649 334805826 /nfs/dbraw/zinc/80/58/26/334805826.db2.gz JIFOUVOJFFMALP-UHFFFAOYSA-N 2 1 272.436 3.597 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cc2cccc(F)c2o1 ZINC000568655258 334835228 /nfs/dbraw/zinc/83/52/28/334835228.db2.gz OUNAGOVBNQDRKQ-CYBMUJFWSA-N 2 1 292.398 3.954 20 0 CHADMP Cn1c[nH+]cc1CCC[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000568879138 334844777 /nfs/dbraw/zinc/84/47/77/334844777.db2.gz HAPYDYAGCNAKIW-QGZVFWFLSA-N 2 1 285.435 3.730 20 0 CHADMP CCC1([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000576636084 335228796 /nfs/dbraw/zinc/22/87/96/335228796.db2.gz OIMPGEJUXDBMNE-KRWDZBQOSA-N 2 1 284.447 3.716 20 0 CHADMP CCC1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000576636084 335228798 /nfs/dbraw/zinc/22/87/98/335228798.db2.gz OIMPGEJUXDBMNE-KRWDZBQOSA-N 2 1 284.447 3.716 20 0 CHADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000576777480 335246906 /nfs/dbraw/zinc/24/69/06/335246906.db2.gz RYEPYFXXZDPPFA-YSHGAJCASA-N 2 1 286.463 3.818 20 0 CHADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000576777480 335246907 /nfs/dbraw/zinc/24/69/07/335246907.db2.gz RYEPYFXXZDPPFA-YSHGAJCASA-N 2 1 286.463 3.818 20 0 CHADMP C[C@H](C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1cccc(Cl)c1 ZINC000577062579 335293743 /nfs/dbraw/zinc/29/37/43/335293743.db2.gz LOGQTASFDZIMLW-RHSMWYFYSA-N 2 1 292.854 3.519 20 0 CHADMP Cc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cs1 ZINC000381326302 336059285 /nfs/dbraw/zinc/05/92/85/336059285.db2.gz AEJSXGWZQSUQKF-ZFWWWQNUSA-N 2 1 280.481 3.972 20 0 CHADMP Cc1cc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cs1 ZINC000381326302 336059286 /nfs/dbraw/zinc/05/92/86/336059286.db2.gz AEJSXGWZQSUQKF-ZFWWWQNUSA-N 2 1 280.481 3.972 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2CCCCC23CCCC3)CC1 ZINC000382261324 336085126 /nfs/dbraw/zinc/08/51/26/336085126.db2.gz ABRYMEQHCGRECX-INIZCTEOSA-N 2 1 264.457 3.563 20 0 CHADMP CCOc1ccc(C[N@@H+](C)CCCc2cnccc2C)cc1 ZINC000581634447 336115215 /nfs/dbraw/zinc/11/52/15/336115215.db2.gz PDMBMLMNDALRTM-UHFFFAOYSA-N 2 1 298.430 3.853 20 0 CHADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000383937812 336119451 /nfs/dbraw/zinc/11/94/51/336119451.db2.gz XCPWUOURDFAXGD-BZOOQXSSSA-N 2 1 294.870 3.904 20 0 CHADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000383937812 336119453 /nfs/dbraw/zinc/11/94/53/336119453.db2.gz XCPWUOURDFAXGD-BZOOQXSSSA-N 2 1 294.870 3.904 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC2CCCCCC2)CCN1C ZINC000581778401 336145951 /nfs/dbraw/zinc/14/59/51/336145951.db2.gz LXHDXMQXOHFMQY-WBVHZDCISA-N 2 1 266.473 3.761 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)CCC2CCCCCC2)CC[N@@H+]1C ZINC000581778401 336145953 /nfs/dbraw/zinc/14/59/53/336145953.db2.gz LXHDXMQXOHFMQY-WBVHZDCISA-N 2 1 266.473 3.761 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)CCC2CCCCCC2)CC[N@H+]1C ZINC000581778401 336145954 /nfs/dbraw/zinc/14/59/54/336145954.db2.gz LXHDXMQXOHFMQY-WBVHZDCISA-N 2 1 266.473 3.761 20 0 CHADMP C[C@@H]1C[C@@H]([N@H+](C)CCC2CCCCCC2)CC[NH+]1C ZINC000581778401 336145956 /nfs/dbraw/zinc/14/59/56/336145956.db2.gz LXHDXMQXOHFMQY-WBVHZDCISA-N 2 1 266.473 3.761 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC2CCCCCC2)CC[NH+]1C ZINC000581778401 336145957 /nfs/dbraw/zinc/14/59/57/336145957.db2.gz LXHDXMQXOHFMQY-WBVHZDCISA-N 2 1 266.473 3.761 20 0 CHADMP CC(C)C[C@@H]1C[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000385822257 336157739 /nfs/dbraw/zinc/15/77/39/336157739.db2.gz JZVFKHYWSYYIIB-IEBWSBKVSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@@H](F)CC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000352016797 534276567 /nfs/dbraw/zinc/27/65/67/534276567.db2.gz ZSYQIYGVAXCGAM-MRXNPFEDSA-N 2 1 292.442 3.579 20 0 CHADMP C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277356960 518444553 /nfs/dbraw/zinc/44/45/53/518444553.db2.gz FABYXFKGDIQEMM-QRURKXGXSA-N 2 1 272.436 3.506 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C2CCSCC2)c1 ZINC000236665076 519629422 /nfs/dbraw/zinc/62/94/22/519629422.db2.gz QFIUGUDOLIWKGH-UHFFFAOYSA-N 2 1 292.492 3.512 20 0 CHADMP CC(C)[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CCC[NH2+]C1 ZINC000226436082 519655887 /nfs/dbraw/zinc/65/58/87/519655887.db2.gz QBLPSSMMRSAWHB-OAHLLOKOSA-N 2 1 280.843 3.550 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC000125946271 519677856 /nfs/dbraw/zinc/67/78/56/519677856.db2.gz UFIIKVQODBVLKB-LSDHHAIUSA-N 2 1 278.415 3.597 20 0 CHADMP CCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000156193293 520427428 /nfs/dbraw/zinc/42/74/28/520427428.db2.gz IEQWRASUGHPXSM-VYDXJSESSA-N 2 1 290.451 3.609 20 0 CHADMP CCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000156193293 520427441 /nfs/dbraw/zinc/42/74/41/520427441.db2.gz IEQWRASUGHPXSM-VYDXJSESSA-N 2 1 290.451 3.609 20 0 CHADMP CC[NH+](CC)Cc1ccc(CNc2cccc(C)[nH+]2)cc1 ZINC000156961656 520749645 /nfs/dbraw/zinc/74/96/45/520749645.db2.gz BWYOBWXZNQHTOG-UHFFFAOYSA-N 2 1 283.419 3.844 20 0 CHADMP CCC[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000278984667 521161870 /nfs/dbraw/zinc/16/18/70/521161870.db2.gz PHPDCVHJZMVCOC-WBVHZDCISA-N 2 1 283.419 3.577 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(SC)cc2)CC1 ZINC000036994310 521580782 /nfs/dbraw/zinc/58/07/82/521580782.db2.gz JXTLDIUNVBVUID-ZDUSSCGKSA-N 2 1 278.465 3.543 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc3ccccc3c2)C[C@@H]1C ZINC000337133578 521713812 /nfs/dbraw/zinc/71/38/12/521713812.db2.gz AZFCAPFYUQYMER-MAUKXSAKSA-N 2 1 297.446 3.539 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc3ccccc3c2)C[C@@H]1C ZINC000337133578 521713813 /nfs/dbraw/zinc/71/38/13/521713813.db2.gz AZFCAPFYUQYMER-MAUKXSAKSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc3ccccc3c2)C[C@@H]1C ZINC000337133578 521713815 /nfs/dbraw/zinc/71/38/15/521713815.db2.gz AZFCAPFYUQYMER-MAUKXSAKSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc3ccccc3c2)C[C@@H]1C ZINC000337133578 521713817 /nfs/dbraw/zinc/71/38/17/521713817.db2.gz AZFCAPFYUQYMER-MAUKXSAKSA-N 2 1 297.446 3.539 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(F)F)c2)[C@H](C)C1 ZINC000279185634 521714260 /nfs/dbraw/zinc/71/42/60/521714260.db2.gz CCPKUXOXRKIYHZ-CZUORRHYSA-N 2 1 296.405 3.786 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C(F)F)c2)[C@H](C)C1 ZINC000279185634 521714261 /nfs/dbraw/zinc/71/42/61/521714261.db2.gz CCPKUXOXRKIYHZ-CZUORRHYSA-N 2 1 296.405 3.786 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C(F)F)c2)[C@H](C)C1 ZINC000279185634 521714262 /nfs/dbraw/zinc/71/42/62/521714262.db2.gz CCPKUXOXRKIYHZ-CZUORRHYSA-N 2 1 296.405 3.786 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(C(F)F)cc2)CC1 ZINC000277052613 522097316 /nfs/dbraw/zinc/09/73/16/522097316.db2.gz CMLYEXBNAITNND-HNNXBMFYSA-N 2 1 282.378 3.540 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(C(F)F)cc2)CC1 ZINC000277052613 522097322 /nfs/dbraw/zinc/09/73/22/522097322.db2.gz CMLYEXBNAITNND-HNNXBMFYSA-N 2 1 282.378 3.540 20 0 CHADMP CC[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000052206354 522597771 /nfs/dbraw/zinc/59/77/71/522597771.db2.gz SAKWQDYGKWTFJR-IRXDYDNUSA-N 2 1 260.425 3.602 20 0 CHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C1CC(F)(F)C1 ZINC000277418004 523342115 /nfs/dbraw/zinc/34/21/15/523342115.db2.gz GISVDCBTVZOVRH-UHFFFAOYSA-N 2 1 296.405 3.532 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000036958469 524045488 /nfs/dbraw/zinc/04/54/88/524045488.db2.gz BFXGQWLJEYUBIY-DXJOGWAWSA-N 2 1 272.436 3.525 20 0 CHADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000049553506 524169085 /nfs/dbraw/zinc/16/90/85/524169085.db2.gz UVHBSVKCMPOLAH-GHMZBOCLSA-N 2 1 289.250 3.984 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c2ccccc21 ZINC000278850586 524701834 /nfs/dbraw/zinc/70/18/34/524701834.db2.gz ACUFPXWHNIELPB-VKJFTORMSA-N 2 1 295.430 3.674 20 0 CHADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)c2ccc3ccccc3c2)C1 ZINC000226331177 524860152 /nfs/dbraw/zinc/86/01/52/524860152.db2.gz MLSPGLUPEYHFHD-DOXZYTNZSA-N 2 1 282.431 3.960 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc2sccc2c1 ZINC000289904394 524908645 /nfs/dbraw/zinc/90/86/45/524908645.db2.gz UDCNXSXOESJBNS-DVOMOZLQSA-N 2 1 288.460 3.720 20 0 CHADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000279064315 524964245 /nfs/dbraw/zinc/96/42/45/524964245.db2.gz ZJNXTKKNDDUXNJ-INMHGKMJSA-N 2 1 295.430 3.592 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)s1 ZINC000036992242 525405263 /nfs/dbraw/zinc/40/52/63/525405263.db2.gz SQRPXVKTRRNXAM-WAAKLRNESA-N 2 1 284.856 3.677 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)s1 ZINC000036992242 525405270 /nfs/dbraw/zinc/40/52/70/525405270.db2.gz SQRPXVKTRRNXAM-WAAKLRNESA-N 2 1 284.856 3.677 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1csc(Cl)c1 ZINC000279054132 525420423 /nfs/dbraw/zinc/42/04/23/525420423.db2.gz YHKUNUXTCDOAHU-WDEREUQCSA-N 2 1 295.839 3.511 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2ccccc2c1 ZINC000093978079 525616284 /nfs/dbraw/zinc/61/62/84/525616284.db2.gz ZCEYHYFIYXPBTR-DOXZYTNZSA-N 2 1 282.431 3.973 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2ccccc2c1 ZINC000093978079 525616293 /nfs/dbraw/zinc/61/62/93/525616293.db2.gz ZCEYHYFIYXPBTR-DOXZYTNZSA-N 2 1 282.431 3.973 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)c(Cl)c1 ZINC000130195790 525619486 /nfs/dbraw/zinc/61/94/86/525619486.db2.gz JBDVGDYIFOLZSY-FPMFFAJLSA-N 2 1 296.817 3.757 20 0 CHADMP Cc1ccsc1[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164000 525887856 /nfs/dbraw/zinc/88/78/56/525887856.db2.gz WJULPTXCYVQXMM-AVOUXACISA-N 2 1 278.465 3.722 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000037140982 525916985 /nfs/dbraw/zinc/91/69/85/525916985.db2.gz CFVXJQBDCODSGI-HNNXBMFYSA-N 2 1 272.436 3.581 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)o1 ZINC000157895339 525918801 /nfs/dbraw/zinc/91/88/01/525918801.db2.gz JKMCDQOPGSZGCJ-HOCLYGCPSA-N 2 1 278.440 3.893 20 0 CHADMP Cc1c2ccccc2oc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000248151191 525984878 /nfs/dbraw/zinc/98/48/78/525984878.db2.gz QUQXJRVABUDWKB-DVOMOZLQSA-N 2 1 286.419 3.560 20 0 CHADMP Cc1c2ccccc2oc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000248151191 525984890 /nfs/dbraw/zinc/98/48/90/525984890.db2.gz QUQXJRVABUDWKB-DVOMOZLQSA-N 2 1 286.419 3.560 20 0 CHADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374074120 526061550 /nfs/dbraw/zinc/06/15/50/526061550.db2.gz IARSHYGCRJJCTG-OAHLLOKOSA-N 2 1 290.426 3.695 20 0 CHADMP CSc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000337213791 526061642 /nfs/dbraw/zinc/06/16/42/526061642.db2.gz DFFMKBJVWNKXDF-HIFRSBDPSA-N 2 1 278.465 3.543 20 0 CHADMP c1cc(C2CCC2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339189594 526417638 /nfs/dbraw/zinc/41/76/38/526417638.db2.gz LEKFOYHDXTVZDR-RTBURBONSA-N 2 1 284.447 3.671 20 0 CHADMP c1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000278450927 526490811 /nfs/dbraw/zinc/49/08/11/526490811.db2.gz LLSWZHQRDQURBB-ZSYWTGECSA-N 2 1 284.447 3.539 20 0 CHADMP c1ccc([C@H]2CC[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000130342065 526497264 /nfs/dbraw/zinc/49/72/64/526497264.db2.gz XNBRYFCXUYQHDG-FUHWJXTLSA-N 2 1 284.447 3.539 20 0 CHADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000044527777 527212404 /nfs/dbraw/zinc/21/24/04/527212404.db2.gz BTEXDGFMQBTXPR-KRWDZBQOSA-N 2 1 280.415 3.524 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000131191850 527437783 /nfs/dbraw/zinc/43/77/83/527437783.db2.gz FIBGBYJXISHKEG-SNRMKQJTSA-N 2 1 297.446 3.754 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](CCC(C)C)c2ccoc2)C1 ZINC000353437143 527743986 /nfs/dbraw/zinc/74/39/86/527743986.db2.gz DGNSHRISKWBOKU-DOTOQJQBSA-N 2 1 278.440 3.688 20 0 CHADMP CC[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc(F)cc1F ZINC000341854486 535904411 /nfs/dbraw/zinc/90/44/11/535904411.db2.gz CMMCCCLWUYGRPQ-PBHICJAKSA-N 2 1 296.405 3.880 20 0 CHADMP CC[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(F)cc1F ZINC000341854486 535904415 /nfs/dbraw/zinc/90/44/15/535904415.db2.gz CMMCCCLWUYGRPQ-PBHICJAKSA-N 2 1 296.405 3.880 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(Cl)c2)CC1 ZINC000109788088 1118075800 /nfs/dbraw/zinc/07/58/00/1118075800.db2.gz LDHASOBVTWCNDQ-UHFFFAOYSA-N 2 1 280.843 3.646 20 0 CHADMP CCC1(CC)CCC([NH2+]CCCn2cc[nH+]c2C)CC1 ZINC001648832647 1118245800 /nfs/dbraw/zinc/24/58/00/1118245800.db2.gz GBDGNJVWWDJLBV-UHFFFAOYSA-N 2 1 277.456 3.920 20 0 CHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccsc1 ZINC000050337877 1125502272 /nfs/dbraw/zinc/50/22/72/1125502272.db2.gz NPKIEIFBPNMDPY-KGLIPLIRSA-N 2 1 266.454 3.663 20 0 CHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccsc1 ZINC000050337877 1125502277 /nfs/dbraw/zinc/50/22/77/1125502277.db2.gz NPKIEIFBPNMDPY-KGLIPLIRSA-N 2 1 266.454 3.663 20 0 CHADMP CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccc(C)cc1 ZINC000221910907 1120933626 /nfs/dbraw/zinc/93/36/26/1120933626.db2.gz DMXTYYQUXUQNGG-QGZVFWFLSA-N 2 1 262.441 3.766 20 0 CHADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCCSc1ccccc1Cl ZINC000516659730 1122619004 /nfs/dbraw/zinc/61/90/04/1122619004.db2.gz CJCANLLJGJSKOZ-OLZOCXBDSA-N 2 1 298.883 3.634 20 0 CHADMP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000425938337 1122669723 /nfs/dbraw/zinc/66/97/23/1122669723.db2.gz PPJXSCOQOXVUME-STQMWFEESA-N 2 1 298.858 3.587 20 0 CHADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417354373 1123086591 /nfs/dbraw/zinc/08/65/91/1123086591.db2.gz ZBORQRVYKQFBGR-ZQDZILKHSA-N 2 1 280.481 3.558 20 0 CHADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417354373 1123086596 /nfs/dbraw/zinc/08/65/96/1123086596.db2.gz ZBORQRVYKQFBGR-ZQDZILKHSA-N 2 1 280.481 3.558 20 0 CHADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000665280708 1123312940 /nfs/dbraw/zinc/31/29/40/1123312940.db2.gz JGCHJEUGCDECHN-QMTHXVAHSA-N 2 1 272.795 3.503 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2C(C)=CCC[C@H]2C)C1 ZINC000443641904 1123456367 /nfs/dbraw/zinc/45/63/67/1123456367.db2.gz MVOIKYBHHXPUCQ-SQNIBIBYSA-N 2 1 278.484 3.643 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2C(C)=CCC[C@H]2C)C1 ZINC000443641904 1123456370 /nfs/dbraw/zinc/45/63/70/1123456370.db2.gz MVOIKYBHHXPUCQ-SQNIBIBYSA-N 2 1 278.484 3.643 20 0 CHADMP CCCCCC[C@@H](CC)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001246649904 1131776460 /nfs/dbraw/zinc/77/64/60/1131776460.db2.gz RNBYTVADHANAQE-CVEARBPZSA-N 2 1 252.446 3.563 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC001204161889 1133411391 /nfs/dbraw/zinc/41/13/91/1133411391.db2.gz HNAMINCQACIZNO-DLBZAZTESA-N 2 1 280.500 3.867 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC001204161889 1133411397 /nfs/dbraw/zinc/41/13/97/1133411397.db2.gz HNAMINCQACIZNO-DLBZAZTESA-N 2 1 280.500 3.867 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC001207282349 1133787772 /nfs/dbraw/zinc/78/77/72/1133787772.db2.gz JQFOJHAWKSIQGA-ZDUSSCGKSA-N 2 1 282.859 3.921 20 0 CHADMP C[N@@H+](CC1CC[NH2+]CC1)C1c2ccccc2-c2ccccc21 ZINC000262331283 1125513421 /nfs/dbraw/zinc/51/34/21/1125513421.db2.gz SMPZNBAPZOIIMG-UHFFFAOYSA-N 2 1 292.426 3.688 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000121504497 1125561082 /nfs/dbraw/zinc/56/10/82/1125561082.db2.gz YDXJPUIJNAZLSY-STQMWFEESA-N 2 1 291.826 3.832 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000245597624 1125584039 /nfs/dbraw/zinc/58/40/39/1125584039.db2.gz NSNHKKMVHSZSBZ-OSLDLMBLSA-N 2 1 290.426 3.521 20 0 CHADMP Clc1cccc(C2([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000245921544 1125599459 /nfs/dbraw/zinc/59/94/59/1125599459.db2.gz QUANUMOAKCYHQM-HOTGVXAUSA-N 2 1 290.838 3.546 20 0 CHADMP Clc1cccc(C2([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000245921544 1125599466 /nfs/dbraw/zinc/59/94/66/1125599466.db2.gz QUANUMOAKCYHQM-HOTGVXAUSA-N 2 1 290.838 3.546 20 0 CHADMP CO[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)CC1 ZINC000885914224 1125625809 /nfs/dbraw/zinc/62/58/09/1125625809.db2.gz PAKNJNOFXYUTPG-FUHWJXTLSA-N 2 1 296.499 3.578 20 0 CHADMP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000246906711 1125649653 /nfs/dbraw/zinc/64/96/53/1125649653.db2.gz UNNIDHXKXWDCRK-USXIJHARSA-N 2 1 277.456 3.776 20 0 CHADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247040648 1125652912 /nfs/dbraw/zinc/65/29/12/1125652912.db2.gz KTWGWPUGRDYAHS-SJLPKXTDSA-N 2 1 272.436 3.698 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1C[C@H]1C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000886127957 1125654316 /nfs/dbraw/zinc/65/43/16/1125654316.db2.gz YOFYJRLVWKIOFF-RUENVJTFSA-N 2 1 290.495 3.665 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CCC1 ZINC000248061971 1125661715 /nfs/dbraw/zinc/66/17/15/1125661715.db2.gz LWONBRDRMWTBEG-JLJPHGGASA-N 2 1 292.492 3.909 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CCC1 ZINC000248061971 1125661718 /nfs/dbraw/zinc/66/17/18/1125661718.db2.gz LWONBRDRMWTBEG-JLJPHGGASA-N 2 1 292.492 3.909 20 0 CHADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)[C@H](c2ccco2)C1 ZINC000248142922 1125663691 /nfs/dbraw/zinc/66/36/91/1125663691.db2.gz ZADSIBSGUHAVKF-OAGGEKHMSA-N 2 1 276.424 3.537 20 0 CHADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)[C@H](c2ccco2)C1 ZINC000248142922 1125663694 /nfs/dbraw/zinc/66/36/94/1125663694.db2.gz ZADSIBSGUHAVKF-OAGGEKHMSA-N 2 1 276.424 3.537 20 0 CHADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)[C@H](c2ccco2)C1 ZINC000248142922 1125663696 /nfs/dbraw/zinc/66/36/96/1125663696.db2.gz ZADSIBSGUHAVKF-OAGGEKHMSA-N 2 1 276.424 3.537 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)s1 ZINC000251530944 1125697302 /nfs/dbraw/zinc/69/73/02/1125697302.db2.gz MTLIMUKKQRJQET-TUAOUCFPSA-N 2 1 284.856 3.679 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)s1 ZINC000251530944 1125697305 /nfs/dbraw/zinc/69/73/05/1125697305.db2.gz MTLIMUKKQRJQET-TUAOUCFPSA-N 2 1 284.856 3.679 20 0 CHADMP Cc1[nH]c(C2CC[NH+](C[C@@H]3CCC(F)(F)C3)CC2)[nH+]c1C ZINC000886659511 1125703853 /nfs/dbraw/zinc/70/38/53/1125703853.db2.gz OKIGRBKDQCXIPX-CYBMUJFWSA-N 2 1 297.393 3.641 20 0 CHADMP Cc1[nH]c(C2CC[NH+](C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)[nH+]c1C ZINC000886659552 1125704426 /nfs/dbraw/zinc/70/44/26/1125704426.db2.gz PKBUTGFBVJEUEX-HYVNUMGLSA-N 2 1 287.451 3.642 20 0 CHADMP Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)C[C@]2(C)CC[NH2+]C2)cc1 ZINC000261703442 1125738891 /nfs/dbraw/zinc/73/88/91/1125738891.db2.gz CPYUYGOSZALLJI-IPMKNSEASA-N 2 1 286.463 3.563 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261769225 1125742567 /nfs/dbraw/zinc/74/25/67/1125742567.db2.gz MLWKRTOIMZOASO-ZQIUZPCESA-N 2 1 294.870 3.763 20 0 CHADMP C[C@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1 ZINC000261985156 1125748758 /nfs/dbraw/zinc/74/87/58/1125748758.db2.gz RWFQJNVJOOFUAT-AJSFGMTHSA-N 2 1 292.854 3.658 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000091321079 1125750531 /nfs/dbraw/zinc/75/05/31/1125750531.db2.gz UCFPZANOBJVSMQ-KSSFIOAISA-N 2 1 283.419 3.569 20 0 CHADMP C/C(=C\c1ccccc1)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000093644476 1125770782 /nfs/dbraw/zinc/77/07/82/1125770782.db2.gz ZEEMMCULJYRGNV-LBVFSOKKSA-N 2 1 272.436 3.504 20 0 CHADMP C/C(=C\c1ccccc1)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000093644476 1125770787 /nfs/dbraw/zinc/77/07/87/1125770787.db2.gz ZEEMMCULJYRGNV-LBVFSOKKSA-N 2 1 272.436 3.504 20 0 CHADMP C/C(=C\c1ccccc1)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000093644476 1125770791 /nfs/dbraw/zinc/77/07/91/1125770791.db2.gz ZEEMMCULJYRGNV-LBVFSOKKSA-N 2 1 272.436 3.504 20 0 CHADMP C/C(=C\c1ccccc1)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000093644476 1125770797 /nfs/dbraw/zinc/77/07/97/1125770797.db2.gz ZEEMMCULJYRGNV-LBVFSOKKSA-N 2 1 272.436 3.504 20 0 CHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C3CCC3)cc2)CCN1C ZINC000508734831 1125785910 /nfs/dbraw/zinc/78/59/10/1125785910.db2.gz QHURWYXRIWTTMU-HNAYVOBHSA-N 2 1 286.463 3.869 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C3CCC3)cc2)CC[N@@H+]1C ZINC000508734831 1125785915 /nfs/dbraw/zinc/78/59/15/1125785915.db2.gz QHURWYXRIWTTMU-HNAYVOBHSA-N 2 1 286.463 3.869 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C3CCC3)cc2)CC[N@H+]1C ZINC000508734831 1125785919 /nfs/dbraw/zinc/78/59/19/1125785919.db2.gz QHURWYXRIWTTMU-HNAYVOBHSA-N 2 1 286.463 3.869 20 0 CHADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(C3CCC3)cc2)CC[NH+]1C ZINC000508734831 1125785923 /nfs/dbraw/zinc/78/59/23/1125785923.db2.gz QHURWYXRIWTTMU-HNAYVOBHSA-N 2 1 286.463 3.869 20 0 CHADMP CCC[C@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000336831662 1129251803 /nfs/dbraw/zinc/25/18/03/1129251803.db2.gz DMCNDKFFJRTQQN-INIZCTEOSA-N 2 1 291.826 3.976 20 0 CHADMP CCCCCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000766547655 1129684239 /nfs/dbraw/zinc/68/42/39/1129684239.db2.gz ARIIHVODTGRGDF-JKSUJKDBSA-N 2 1 268.489 3.913 20 0 CHADMP CCSc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000159286835 1129199179 /nfs/dbraw/zinc/19/91/79/1129199179.db2.gz FGLDCXJVADJEDQ-CQSZACIVSA-N 2 1 292.492 3.934 20 0 CHADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000481955921 1126735250 /nfs/dbraw/zinc/73/52/50/1126735250.db2.gz YELOJBWAIJKFHI-GHMZBOCLSA-N 2 1 289.250 3.984 20 0 CHADMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000483222076 1126773517 /nfs/dbraw/zinc/77/35/17/1126773517.db2.gz SRAAAHIHCBFWPP-SJLPKXTDSA-N 2 1 286.463 3.720 20 0 CHADMP Cc1ccccc1[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000483222076 1126773521 /nfs/dbraw/zinc/77/35/21/1126773521.db2.gz SRAAAHIHCBFWPP-SJLPKXTDSA-N 2 1 286.463 3.720 20 0 CHADMP Cc1ccccc1[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000483222076 1126773522 /nfs/dbraw/zinc/77/35/22/1126773522.db2.gz SRAAAHIHCBFWPP-SJLPKXTDSA-N 2 1 286.463 3.720 20 0 CHADMP CCC(CC)(C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000483825417 1126802345 /nfs/dbraw/zinc/80/23/45/1126802345.db2.gz UKAJMDICVIGJTD-AEFFLSMTSA-N 2 1 288.479 3.674 20 0 CHADMP CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H](C)c1cc2ccccc2o1 ZINC000904312062 1126844201 /nfs/dbraw/zinc/84/42/01/1126844201.db2.gz FJVGWMFAFCMONS-NFAWXSAZSA-N 2 1 272.392 3.553 20 0 CHADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000904307659 1126844217 /nfs/dbraw/zinc/84/42/17/1126844217.db2.gz DIWOHZUITWRMSL-IFUGULHKSA-N 2 1 299.245 3.868 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000904311646 1126844337 /nfs/dbraw/zinc/84/43/37/1126844337.db2.gz GVNPNPKGJHBQTH-SLEUVZQESA-N 2 1 278.827 3.603 20 0 CHADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000904307660 1126844343 /nfs/dbraw/zinc/84/43/43/1126844343.db2.gz DIWOHZUITWRMSL-NVBFEUDRSA-N 2 1 299.245 3.868 20 0 CHADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904337302 1126845155 /nfs/dbraw/zinc/84/51/55/1126845155.db2.gz URTTUSFVKZLEEX-FOGDFJRCSA-N 2 1 287.234 3.724 20 0 CHADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)nc2)CC1 ZINC000181378093 1126855139 /nfs/dbraw/zinc/85/51/39/1126855139.db2.gz LYCJUDVGRXCALW-CYBMUJFWSA-N 2 1 295.858 3.506 20 0 CHADMP Cc1[nH+]c(N)ccc1-c1cccc(C[NH+]2CCCCC2)c1 ZINC000904769696 1126873380 /nfs/dbraw/zinc/87/33/80/1126873380.db2.gz VKXSVZJVAHBESP-UHFFFAOYSA-N 2 1 281.403 3.625 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCSC2)c1 ZINC000183459942 1126887572 /nfs/dbraw/zinc/88/75/72/1126887572.db2.gz GWZBRAIEJIDIQE-QGZVFWFLSA-N 2 1 292.492 3.512 20 0 CHADMP Cc1csc(C[N@@H+](C)CCC2CC[NH2+]CC2)c1Cl ZINC001235715167 1130772504 /nfs/dbraw/zinc/77/25/04/1130772504.db2.gz QNMKIMDKHRUCIN-UHFFFAOYSA-N 2 1 286.872 3.531 20 0 CHADMP CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccsc1 ZINC000191208486 1126948983 /nfs/dbraw/zinc/94/89/83/1126948983.db2.gz HLCSCXOAOCYUNW-HIFRSBDPSA-N 2 1 266.454 3.521 20 0 CHADMP CC/C=C/CC[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000191490097 1126952787 /nfs/dbraw/zinc/95/27/87/1126952787.db2.gz STNQHBYEVPPFQU-VOTSOKGWSA-N 2 1 263.429 3.514 20 0 CHADMP CC/C=C/CC[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000191490097 1126952789 /nfs/dbraw/zinc/95/27/89/1126952789.db2.gz STNQHBYEVPPFQU-VOTSOKGWSA-N 2 1 263.429 3.514 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCCc3occc32)c1 ZINC000192828045 1126964575 /nfs/dbraw/zinc/96/45/75/1126964575.db2.gz PFRSNLRFBWHNOU-SFHVURJKSA-N 2 1 298.430 3.899 20 0 CHADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CCC(C(C)(C)C)CC1 ZINC001236009009 1130831748 /nfs/dbraw/zinc/83/17/48/1130831748.db2.gz OZUCGHICOJDUJN-KLAILNCOSA-N 2 1 280.500 3.913 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000268856954 1127026559 /nfs/dbraw/zinc/02/65/59/1127026559.db2.gz LPOCKXOXTJWNTL-HNNXBMFYSA-N 2 1 271.408 3.549 20 0 CHADMP C[NH+](C)CC1(C[NH2+]Cc2sccc2Cl)CCCC1 ZINC000487556205 1127035044 /nfs/dbraw/zinc/03/50/44/1127035044.db2.gz HVYCMNXYMIVESJ-UHFFFAOYSA-N 2 1 286.872 3.613 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@H]2CC2(C)C)c1 ZINC000487307423 1127031549 /nfs/dbraw/zinc/03/15/49/1127031549.db2.gz GEXZYYPIRHIIPW-WMLDXEAASA-N 2 1 274.452 3.663 20 0 CHADMP C[C@H](CCc1ccsc1)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001320257235 1127037761 /nfs/dbraw/zinc/03/77/61/1127037761.db2.gz BIBIHBGBXIXROI-KBMXLJTQSA-N 2 1 280.481 3.532 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCC2CC2)C2CCCCC2)CC1 ZINC001236565672 1130976151 /nfs/dbraw/zinc/97/61/51/1130976151.db2.gz MCXMYLRTQYANFI-JCNLHEQBSA-N 2 1 264.457 3.691 20 0 CHADMP Cc1nccn1CC[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000270685810 1127061128 /nfs/dbraw/zinc/06/11/28/1127061128.db2.gz VZZWSMNKRNDZOF-GFCCVEGCSA-N 2 1 277.799 3.538 20 0 CHADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000270685810 1127061133 /nfs/dbraw/zinc/06/11/33/1127061133.db2.gz VZZWSMNKRNDZOF-GFCCVEGCSA-N 2 1 277.799 3.538 20 0 CHADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000270685810 1127061137 /nfs/dbraw/zinc/06/11/37/1127061137.db2.gz VZZWSMNKRNDZOF-GFCCVEGCSA-N 2 1 277.799 3.538 20 0 CHADMP c1cc2cccc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)c2[nH]1 ZINC000271170648 1127071288 /nfs/dbraw/zinc/07/12/88/1127071288.db2.gz DOXPDJHJLQCQQE-GOSISDBHSA-N 2 1 297.446 3.618 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000271684929 1127096715 /nfs/dbraw/zinc/09/67/15/1127096715.db2.gz CPOQSRPLUVGCOI-LLVKDONJSA-N 2 1 295.789 3.725 20 0 CHADMP Cc1c(C)c(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)ccc1Cl ZINC001237082906 1131047388 /nfs/dbraw/zinc/04/73/88/1131047388.db2.gz URGIYZJISJXPSN-INIZCTEOSA-N 2 1 280.843 3.518 20 0 CHADMP Cc1c(C)c(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)ccc1Cl ZINC001237082906 1131047392 /nfs/dbraw/zinc/04/73/92/1131047392.db2.gz URGIYZJISJXPSN-INIZCTEOSA-N 2 1 280.843 3.518 20 0 CHADMP Cc1cccc(C[N@@H+](CCCc2c[nH+]cn2C)CC(C)C)c1 ZINC001307432724 1127160208 /nfs/dbraw/zinc/16/02/08/1127160208.db2.gz ZQIARLODHBECRU-UHFFFAOYSA-N 2 1 299.462 3.819 20 0 CHADMP Cc1cccc(C[N@H+](CCCc2c[nH+]cn2C)CC(C)C)c1 ZINC001307432724 1127160209 /nfs/dbraw/zinc/16/02/09/1127160209.db2.gz ZQIARLODHBECRU-UHFFFAOYSA-N 2 1 299.462 3.819 20 0 CHADMP CC1(C)CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000571826162 1127177171 /nfs/dbraw/zinc/17/71/71/1127177171.db2.gz JRCPMZKRCPDRNB-HOTGVXAUSA-N 2 1 264.457 3.562 20 0 CHADMP CCCCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000284205740 1127178108 /nfs/dbraw/zinc/17/81/08/1127178108.db2.gz GQZZHPISBYNOFS-HNNXBMFYSA-N 2 1 290.451 3.610 20 0 CHADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000351229138 1127186585 /nfs/dbraw/zinc/18/65/85/1127186585.db2.gz QICBDRILVRYFSV-CVEARBPZSA-N 2 1 278.440 3.785 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000351229138 1127186586 /nfs/dbraw/zinc/18/65/86/1127186586.db2.gz QICBDRILVRYFSV-CVEARBPZSA-N 2 1 278.440 3.785 20 0 CHADMP Cc1oc2ccccc2c1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000351581606 1127195166 /nfs/dbraw/zinc/19/51/66/1127195166.db2.gz IDXKXEITJSACNK-HNNXBMFYSA-N 2 1 286.419 3.515 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c(C)c1 ZINC000352338198 1127225154 /nfs/dbraw/zinc/22/51/54/1127225154.db2.gz PLJDBKCKAVMUHT-MRXNPFEDSA-N 2 1 283.419 3.715 20 0 CHADMP Cc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000589837021 1127236620 /nfs/dbraw/zinc/23/66/20/1127236620.db2.gz WRMZSPXYVNRQMV-KRWDZBQOSA-N 2 1 288.479 3.905 20 0 CHADMP CCc1oc2ccccc2c1CN1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000352932461 1127252320 /nfs/dbraw/zinc/25/23/20/1127252320.db2.gz PWWCSUZLTDKDGO-PBHICJAKSA-N 2 1 298.430 3.521 20 0 CHADMP CCc1oc2ccccc2c1CN1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000352932461 1127252324 /nfs/dbraw/zinc/25/23/24/1127252324.db2.gz PWWCSUZLTDKDGO-PBHICJAKSA-N 2 1 298.430 3.521 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cc(C)ccn2)c1 ZINC000286181187 1127262092 /nfs/dbraw/zinc/26/20/92/1127262092.db2.gz QWETVIGIKHIQHG-MRXNPFEDSA-N 2 1 297.446 3.693 20 0 CHADMP Cc1oc2ccccc2c1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000354177507 1127297465 /nfs/dbraw/zinc/29/74/65/1127297465.db2.gz QLPBCEYRDLKPNE-LJQANCHMSA-N 2 1 298.430 3.659 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000354177507 1127297468 /nfs/dbraw/zinc/29/74/68/1127297468.db2.gz QLPBCEYRDLKPNE-LJQANCHMSA-N 2 1 298.430 3.659 20 0 CHADMP Cc1oc2ccccc2c1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000354177507 1127297470 /nfs/dbraw/zinc/29/74/70/1127297470.db2.gz QLPBCEYRDLKPNE-LJQANCHMSA-N 2 1 298.430 3.659 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](CC(C)C)c1ccccc1 ZINC000354214835 1127298668 /nfs/dbraw/zinc/29/86/68/1127298668.db2.gz DZBJLAZADSJZOZ-GOSISDBHSA-N 2 1 285.435 3.611 20 0 CHADMP CC(C)c1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000783315316 1127371748 /nfs/dbraw/zinc/37/17/48/1127371748.db2.gz DEMIQKKGZSITJN-SJORKVTESA-N 2 1 272.436 3.526 20 0 CHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(C(C)(C)C)s2)C1 ZINC001308433276 1127383677 /nfs/dbraw/zinc/38/36/77/1127383677.db2.gz UAELMMRITQNMNB-CQSZACIVSA-N 2 1 294.508 3.867 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CC2(C)C)cc1 ZINC000358144392 1127404416 /nfs/dbraw/zinc/40/44/16/1127404416.db2.gz WELISONJJUXDGA-CZUORRHYSA-N 2 1 283.419 3.877 20 0 CHADMP CC(C)[N@@H+](C)CCCN[C@@H](C)c1ccc2ccccc2n1 ZINC000359641096 1127470777 /nfs/dbraw/zinc/47/07/77/1127470777.db2.gz MFILAWHOIBGGBS-HNNXBMFYSA-N 2 1 285.435 3.616 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000359641096 1127470780 /nfs/dbraw/zinc/47/07/80/1127470780.db2.gz MFILAWHOIBGGBS-HNNXBMFYSA-N 2 1 285.435 3.616 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000359641096 1127470783 /nfs/dbraw/zinc/47/07/83/1127470783.db2.gz MFILAWHOIBGGBS-HNNXBMFYSA-N 2 1 285.435 3.616 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc2c(s1)CCC2 ZINC000360030099 1127486913 /nfs/dbraw/zinc/48/69/13/1127486913.db2.gz UFGJKVIZOLEFTG-CFVMTHIKSA-N 2 1 290.476 3.514 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC000360233682 1127493446 /nfs/dbraw/zinc/49/34/46/1127493446.db2.gz JHDJXUCXYBQPQT-VQIMIIECSA-N 2 1 286.463 3.776 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000360328336 1127496120 /nfs/dbraw/zinc/49/61/20/1127496120.db2.gz FPRTULICLSEWOK-OALUTQOASA-N 2 1 297.446 3.583 20 0 CHADMP C[NH+](C)C1(CNc2cc[nH+]c3ccsc32)CCCC1 ZINC000361161584 1127543565 /nfs/dbraw/zinc/54/35/65/1127543565.db2.gz LCRDVXGSFICZME-UHFFFAOYSA-N 2 1 275.421 3.583 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CCC2(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000361436580 1127563320 /nfs/dbraw/zinc/56/33/20/1127563320.db2.gz YJKITJLPPRDAPM-FUHWJXTLSA-N 2 1 286.463 3.819 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CCC2(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000361436580 1127563322 /nfs/dbraw/zinc/56/33/22/1127563322.db2.gz YJKITJLPPRDAPM-FUHWJXTLSA-N 2 1 286.463 3.819 20 0 CHADMP c1ccc([C@H]2CCC[C@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000161605836 1127628205 /nfs/dbraw/zinc/62/82/05/1127628205.db2.gz LLSWZHQRDQURBB-NCXUSEDFSA-N 2 1 284.447 3.539 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CCC(C)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000296050009 1127661840 /nfs/dbraw/zinc/66/18/40/1127661840.db2.gz OMNZFZDKAYDCJF-HOCLYGCPSA-N 2 1 296.405 3.674 20 0 CHADMP CCC1([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000296424977 1127671788 /nfs/dbraw/zinc/67/17/88/1127671788.db2.gz LODZPKVRJSLTMA-BCDXTJNWSA-N 2 1 284.447 3.714 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000603937868 1127683176 /nfs/dbraw/zinc/68/31/76/1127683176.db2.gz SGFQAXSKNIPJIE-MRXNPFEDSA-N 2 1 289.467 3.587 20 0 CHADMP c1cc(-c2ccccc2)oc1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363616920 1127679916 /nfs/dbraw/zinc/67/99/16/1127679916.db2.gz XTNAAUDXDOOERX-SJORKVTESA-N 2 1 296.414 3.663 20 0 CHADMP c1cc(-c2ccccc2)oc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363616917 1127680157 /nfs/dbraw/zinc/68/01/57/1127680157.db2.gz XTNAAUDXDOOERX-DLBZAZTESA-N 2 1 296.414 3.663 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1ccsc1 ZINC000297645660 1127702887 /nfs/dbraw/zinc/70/28/87/1127702887.db2.gz JXTVZHRFDSSKNA-HOCLYGCPSA-N 2 1 280.481 3.909 20 0 CHADMP CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccsc1 ZINC000297960573 1127712299 /nfs/dbraw/zinc/71/22/99/1127712299.db2.gz ZGHPXQRYDBLWIK-WFASDCNBSA-N 2 1 277.437 3.630 20 0 CHADMP CCc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000604997702 1127725449 /nfs/dbraw/zinc/72/54/49/1127725449.db2.gz COGRAZFWCKWCAU-UHFFFAOYSA-N 2 1 288.479 3.801 20 0 CHADMP Cc1cccc([C@@H]([NH2+]CCc2c[nH+]cn2C)C(C)(C)C)c1 ZINC000298562005 1127726458 /nfs/dbraw/zinc/72/64/58/1127726458.db2.gz WDBSKAPOBZYYLM-QGZVFWFLSA-N 2 1 285.435 3.648 20 0 CHADMP CC(C[NH+]1CCC[C@H]1C(C)C)C[N@H+]1CCC[C@H]1C(C)C ZINC000605574376 1127743237 /nfs/dbraw/zinc/74/32/37/1127743237.db2.gz AQQXPOYNOAZEKL-ROUUACIJSA-N 2 1 280.500 3.863 20 0 CHADMP CSc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000366268278 1127744705 /nfs/dbraw/zinc/74/47/05/1127744705.db2.gz KSQJOXDHRDAABX-UHFFFAOYSA-N 2 1 290.476 3.515 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000371709029 1127776446 /nfs/dbraw/zinc/77/64/46/1127776446.db2.gz IIOCKOPSYXCMFB-IBGZPJMESA-N 2 1 297.446 3.770 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000371709029 1127776448 /nfs/dbraw/zinc/77/64/48/1127776448.db2.gz IIOCKOPSYXCMFB-IBGZPJMESA-N 2 1 297.446 3.770 20 0 CHADMP CC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc(F)c1 ZINC000373523425 1127848160 /nfs/dbraw/zinc/84/81/60/1127848160.db2.gz PGYQKZRTHKOFGH-ABHNRTSZSA-N 2 1 290.426 3.883 20 0 CHADMP CC[NH+](CC)C1CC[NH+](C[C@@H](C)c2ccccc2)CC1 ZINC000116879158 1127858210 /nfs/dbraw/zinc/85/82/10/1127858210.db2.gz DODPAZFBGPANNU-MRXNPFEDSA-N 2 1 274.452 3.596 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000411994624 1127884584 /nfs/dbraw/zinc/88/45/84/1127884584.db2.gz ZWCRBVPTWWQTEZ-MOPGFXCFSA-N 2 1 298.474 3.740 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000411994624 1127884586 /nfs/dbraw/zinc/88/45/86/1127884586.db2.gz ZWCRBVPTWWQTEZ-MOPGFXCFSA-N 2 1 298.474 3.740 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000411994624 1127884588 /nfs/dbraw/zinc/88/45/88/1127884588.db2.gz ZWCRBVPTWWQTEZ-MOPGFXCFSA-N 2 1 298.474 3.740 20 0 CHADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000535466785 1127917241 /nfs/dbraw/zinc/91/72/41/1127917241.db2.gz YHRYMVCBZGVMDF-PBHICJAKSA-N 2 1 294.870 3.687 20 0 CHADMP C[C@H](Cc1ccc(Cl)cc1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000535466785 1127917244 /nfs/dbraw/zinc/91/72/44/1127917244.db2.gz YHRYMVCBZGVMDF-PBHICJAKSA-N 2 1 294.870 3.687 20 0 CHADMP C[C@H](Cc1ccc(Cl)cc1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000535466785 1127917247 /nfs/dbraw/zinc/91/72/47/1127917247.db2.gz YHRYMVCBZGVMDF-PBHICJAKSA-N 2 1 294.870 3.687 20 0 CHADMP CCC[C@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000539409043 1127922635 /nfs/dbraw/zinc/92/26/35/1127922635.db2.gz WLLGNAZUCQFCFV-IEBWSBKVSA-N 2 1 288.479 3.844 20 0 CHADMP CCC[C@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000539409043 1127922638 /nfs/dbraw/zinc/92/26/38/1127922638.db2.gz WLLGNAZUCQFCFV-IEBWSBKVSA-N 2 1 288.479 3.844 20 0 CHADMP CCC[C@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000539409043 1127922641 /nfs/dbraw/zinc/92/26/41/1127922641.db2.gz WLLGNAZUCQFCFV-IEBWSBKVSA-N 2 1 288.479 3.844 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3c(F)cccc32)CC1(C)C ZINC000623534459 1127926974 /nfs/dbraw/zinc/92/69/74/1127926974.db2.gz OKFZMHPXLKAQPY-SUMWQHHRSA-N 2 1 290.426 3.666 20 0 CHADMP CCCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)cc1 ZINC000539791682 1127939956 /nfs/dbraw/zinc/93/99/56/1127939956.db2.gz JYRBYPTXQOCRSF-APWZRJJASA-N 2 1 288.479 3.944 20 0 CHADMP CCCc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000539791682 1127939958 /nfs/dbraw/zinc/93/99/58/1127939958.db2.gz JYRBYPTXQOCRSF-APWZRJJASA-N 2 1 288.479 3.944 20 0 CHADMP CCCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000539791682 1127939960 /nfs/dbraw/zinc/93/99/60/1127939960.db2.gz JYRBYPTXQOCRSF-APWZRJJASA-N 2 1 288.479 3.944 20 0 CHADMP CCc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000539895814 1127952125 /nfs/dbraw/zinc/95/21/25/1127952125.db2.gz XNLIIBRCDHBQDC-QUCCMNQESA-N 2 1 298.474 3.698 20 0 CHADMP CCc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000539895814 1127952126 /nfs/dbraw/zinc/95/21/26/1127952126.db2.gz XNLIIBRCDHBQDC-QUCCMNQESA-N 2 1 298.474 3.698 20 0 CHADMP CCc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000539895814 1127952129 /nfs/dbraw/zinc/95/21/29/1127952129.db2.gz XNLIIBRCDHBQDC-QUCCMNQESA-N 2 1 298.474 3.698 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)c1 ZINC000539896582 1127952315 /nfs/dbraw/zinc/95/23/15/1127952315.db2.gz MBNDABLRDJELGR-ICSRJNTNSA-N 2 1 298.474 3.752 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C3CCCC3)cc2)CC[N@H+]1C ZINC000462780435 1127955200 /nfs/dbraw/zinc/95/52/00/1127955200.db2.gz WJYPSCOHQAUVGD-DNVCBOLYSA-N 2 1 286.463 3.917 20 0 CHADMP CC/C=C\CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000467187790 1127958443 /nfs/dbraw/zinc/95/84/43/1127958443.db2.gz SJFIIVHANRBROK-KSLSASGISA-N 2 1 264.457 3.585 20 0 CHADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000544348975 1127968835 /nfs/dbraw/zinc/96/88/35/1127968835.db2.gz OAAMCKIGLBRPJO-XDNAFOTISA-N 2 1 278.484 3.619 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000544348975 1127968837 /nfs/dbraw/zinc/96/88/37/1127968837.db2.gz OAAMCKIGLBRPJO-XDNAFOTISA-N 2 1 278.484 3.619 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000544348975 1127968841 /nfs/dbraw/zinc/96/88/41/1127968841.db2.gz OAAMCKIGLBRPJO-XDNAFOTISA-N 2 1 278.484 3.619 20 0 CHADMP CC(C)Oc1ccccc1[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000540325341 1127974867 /nfs/dbraw/zinc/97/48/67/1127974867.db2.gz GIQRJKMTUALLBS-INIZCTEOSA-N 2 1 290.451 3.610 20 0 CHADMP Cc1[nH+]ccn1CCC[NH+](CC(C)(C)C)CC(C)(C)C ZINC000540417817 1127978490 /nfs/dbraw/zinc/97/84/90/1127978490.db2.gz LJMBQIYXFPWEMD-UHFFFAOYSA-N 2 1 279.472 3.976 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@H](c1ccc(C)o1)C1CCC1 ZINC000544578937 1127977309 /nfs/dbraw/zinc/97/73/09/1127977309.db2.gz JUEAHFCKRQHXRH-KRWDZBQOSA-N 2 1 278.440 3.751 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(-c3ccccc3)c2)CC[N@H+]1C ZINC000540606900 1127985861 /nfs/dbraw/zinc/98/58/61/1127985861.db2.gz INVUPOGQARTBOV-OXQOHEQNSA-N 2 1 294.442 3.926 20 0 CHADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000300330043 1127998488 /nfs/dbraw/zinc/99/84/88/1127998488.db2.gz XJNKWYXIMZNOQY-BBWFWOEESA-N 2 1 278.484 3.665 20 0 CHADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000468355161 1128004022 /nfs/dbraw/zinc/00/40/22/1128004022.db2.gz CXGOPLQYQJMWBX-YRPNKDGESA-N 2 1 298.474 3.848 20 0 CHADMP CCC1CCC(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000468961647 1128029973 /nfs/dbraw/zinc/02/99/73/1128029973.db2.gz MCJQTXZZSIQFAD-OTBWCIGPSA-N 2 1 266.473 3.523 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CCCCC(C)(C)C)[C@@H](C)C1 ZINC000469057169 1128034049 /nfs/dbraw/zinc/03/40/49/1128034049.db2.gz UAFPIDORCIKEAV-GJZGRUSLSA-N 2 1 254.462 3.523 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(CC)(CC)CC)C1 ZINC000542020156 1128048390 /nfs/dbraw/zinc/04/83/90/1128048390.db2.gz QHWFVGYBMJBKQZ-INIZCTEOSA-N 2 1 268.489 3.867 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(CC)(CC)CC)C1 ZINC000542020156 1128048394 /nfs/dbraw/zinc/04/83/94/1128048394.db2.gz QHWFVGYBMJBKQZ-INIZCTEOSA-N 2 1 268.489 3.867 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(CC)(CC)CC)C1 ZINC000542020156 1128048398 /nfs/dbraw/zinc/04/83/98/1128048398.db2.gz QHWFVGYBMJBKQZ-INIZCTEOSA-N 2 1 268.489 3.867 20 0 CHADMP Cc1ccccc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000469991651 1128061460 /nfs/dbraw/zinc/06/14/60/1128061460.db2.gz NCGPMTWWBNVFAO-OXJNMPFZSA-N 2 1 294.442 3.831 20 0 CHADMP CC(C)c1ccc(CC[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000470103639 1128063504 /nfs/dbraw/zinc/06/35/04/1128063504.db2.gz GXGBBELPGMIIQX-OALUTQOASA-N 2 1 286.463 3.569 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000924686650 1128109974 /nfs/dbraw/zinc/10/99/74/1128109974.db2.gz MNZRYUJSSXBCAU-MGNMYUMUSA-N 2 1 296.524 3.657 20 0 CHADMP C[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000252107353 1128116723 /nfs/dbraw/zinc/11/67/23/1128116723.db2.gz HFONGBPUBQPXEW-ZSNVMCELSA-N 2 1 264.457 3.560 20 0 CHADMP C[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000252107353 1128116725 /nfs/dbraw/zinc/11/67/25/1128116725.db2.gz HFONGBPUBQPXEW-ZSNVMCELSA-N 2 1 264.457 3.560 20 0 CHADMP CCCc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925781728 1128142569 /nfs/dbraw/zinc/14/25/69/1128142569.db2.gz ZXOUCLSEKKVGAO-BBRMVZONSA-N 2 1 296.405 3.535 20 0 CHADMP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1C ZINC000925829014 1128142959 /nfs/dbraw/zinc/14/29/59/1128142959.db2.gz LUWNSKBDBTWTJL-DOPJRALCSA-N 2 1 296.414 3.799 20 0 CHADMP COc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1C ZINC000925829017 1128143007 /nfs/dbraw/zinc/14/30/07/1128143007.db2.gz LUWNSKBDBTWTJL-VHSSKADRSA-N 2 1 296.414 3.799 20 0 CHADMP CC(C)[N@@H+]([C@H](C)Cc1cccc(F)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168469742 1128196912 /nfs/dbraw/zinc/19/69/12/1128196912.db2.gz UYKXYUPKRAJCGN-ZTFGCOKTSA-N 2 1 292.442 3.737 20 0 CHADMP CCC1([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000926508815 1128176988 /nfs/dbraw/zinc/17/69/88/1128176988.db2.gz JODXHSWALFZTFE-SJLPKXTDSA-N 2 1 284.447 3.887 20 0 CHADMP CCC1([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000926508815 1128176991 /nfs/dbraw/zinc/17/69/91/1128176991.db2.gz JODXHSWALFZTFE-SJLPKXTDSA-N 2 1 284.447 3.887 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1coc2ccccc12 ZINC000926561030 1128180831 /nfs/dbraw/zinc/18/08/31/1128180831.db2.gz WOPXPYQCRMMCLD-CQSZACIVSA-N 2 1 286.419 3.958 20 0 CHADMP CCCC(CCC)[N@H+]1CC[C@@H](Oc2ccncc2C)C1 ZINC001257338778 1128248516 /nfs/dbraw/zinc/24/85/16/1128248516.db2.gz AJANMJQMPKUDAH-MRXNPFEDSA-N 2 1 276.424 3.812 20 0 CHADMP [NH3+][C@H]1CCC[N@@H+](Cc2sc(Cl)c3ccccc32)CC1 ZINC001205130379 1128262948 /nfs/dbraw/zinc/26/29/48/1128262948.db2.gz COTXSDFJVLECAG-NSHDSACASA-N 2 1 294.851 3.868 20 0 CHADMP CCC[C@@H](C)[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257312341 1128230332 /nfs/dbraw/zinc/23/03/32/1128230332.db2.gz CUSMKLUAVCWAOH-RBSFLKMASA-N 2 1 254.462 3.793 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1C[C@H]1c1ccccc1 ZINC000670154793 1128269876 /nfs/dbraw/zinc/26/98/76/1128269876.db2.gz HAPGGYOTUZWPNJ-MHULLOJJSA-N 2 1 298.474 3.784 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1C[C@H]1c1ccccc1 ZINC000670154793 1128269878 /nfs/dbraw/zinc/26/98/78/1128269878.db2.gz HAPGGYOTUZWPNJ-MHULLOJJSA-N 2 1 298.474 3.784 20 0 CHADMP CC[NH+](CC)[C@@H](C[NH2+]CCc1ccccc1)CC(C)C ZINC000915228076 1128293497 /nfs/dbraw/zinc/29/34/97/1128293497.db2.gz DUDMCEYLICQDNH-GOSISDBHSA-N 2 1 276.468 3.575 20 0 CHADMP C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000932276907 1128402952 /nfs/dbraw/zinc/40/29/52/1128402952.db2.gz XXQRGSUXTKGHLR-APWZRJJASA-N 2 1 297.446 3.621 20 0 CHADMP C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000932276907 1128402953 /nfs/dbraw/zinc/40/29/53/1128402953.db2.gz XXQRGSUXTKGHLR-APWZRJJASA-N 2 1 297.446 3.621 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CCCC[C@H]2C)C1 ZINC001649175989 1128403676 /nfs/dbraw/zinc/40/36/76/1128403676.db2.gz SYKFQDQYBBGOPE-BRWVUGGUSA-N 2 1 266.473 3.523 20 0 CHADMP CC[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)C(C)C ZINC000037200242 1128421644 /nfs/dbraw/zinc/42/16/44/1128421644.db2.gz OYFXGFMFBSPERN-KRWDZBQOSA-N 2 1 262.441 3.533 20 0 CHADMP CC1CCC(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000798956817 1128422037 /nfs/dbraw/zinc/42/20/37/1128422037.db2.gz BJHZYPFLSXUHCB-UHFFFAOYSA-N 2 1 278.484 3.621 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(CC(C)C)cc2)C1 ZINC000037644107 1128433845 /nfs/dbraw/zinc/43/38/45/1128433845.db2.gz QIKIPVNJQLYJAN-FUHWJXTLSA-N 2 1 288.479 3.878 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000037644196 1128434160 /nfs/dbraw/zinc/43/41/60/1128434160.db2.gz ZZFBGADWBLBXJW-HOTGVXAUSA-N 2 1 286.463 3.558 20 0 CHADMP C[N@@H+](CCC[NH2+]C[C@@H]1CC=CCC1)C1CCCCC1 ZINC000037860300 1128436457 /nfs/dbraw/zinc/43/64/57/1128436457.db2.gz RUADKTBUZXISNG-MRXNPFEDSA-N 2 1 264.457 3.587 20 0 CHADMP CCC[C@H](C)CC[C@H](C)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001257468849 1128464533 /nfs/dbraw/zinc/46/45/33/1128464533.db2.gz RCBQQVKSVBEVEC-FXQLRMTLSA-N 2 1 254.462 3.793 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(C)(C)C ZINC000126870131 1128470077 /nfs/dbraw/zinc/47/00/77/1128470077.db2.gz JQCVZUHWSUSPBH-GJZGRUSLSA-N 2 1 294.508 3.984 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C(C)(C)C ZINC000126870131 1128470080 /nfs/dbraw/zinc/47/00/80/1128470080.db2.gz JQCVZUHWSUSPBH-GJZGRUSLSA-N 2 1 294.508 3.984 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)CCCC1CCCCC1 ZINC000563776648 1128478969 /nfs/dbraw/zinc/47/89/69/1128478969.db2.gz DPEYFASVHQRRFY-NVXWUHKLSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CCCC1CCCCC1 ZINC000563776648 1128478971 /nfs/dbraw/zinc/47/89/71/1128478971.db2.gz DPEYFASVHQRRFY-NVXWUHKLSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)CCCC1CCCCC1 ZINC000563776648 1128478974 /nfs/dbraw/zinc/47/89/74/1128478974.db2.gz DPEYFASVHQRRFY-NVXWUHKLSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CCCC1CCCCC1 ZINC000563776648 1128478976 /nfs/dbraw/zinc/47/89/76/1128478976.db2.gz DPEYFASVHQRRFY-NVXWUHKLSA-N 2 1 266.473 3.619 20 0 CHADMP CC(C)c1ccc(CCC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000127942461 1128483908 /nfs/dbraw/zinc/48/39/08/1128483908.db2.gz DZEBOQBUVSQOGI-LPHOPBHVSA-N 2 1 288.479 3.815 20 0 CHADMP CC(C)c1ccc(CCC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000127954583 1128484309 /nfs/dbraw/zinc/48/43/09/1128484309.db2.gz KOWLLPDMSHSONL-LPHOPBHVSA-N 2 1 288.479 3.672 20 0 CHADMP CCC[C@@H](C)CC[C@H](C)[N@@H+](CCOC)C1CCN(C)CC1 ZINC001257482605 1128500225 /nfs/dbraw/zinc/50/02/25/1128500225.db2.gz SPVQBGWXNJXSQF-SJORKVTESA-N 2 1 298.515 3.634 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000564251736 1128500673 /nfs/dbraw/zinc/50/06/73/1128500673.db2.gz KEJFUMJFJBKFGJ-HOTGVXAUSA-N 2 1 262.441 3.500 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000564251736 1128500675 /nfs/dbraw/zinc/50/06/75/1128500675.db2.gz KEJFUMJFJBKFGJ-HOTGVXAUSA-N 2 1 262.441 3.500 20 0 CHADMP C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc(C(C)(C)C)cc1 ZINC000567088393 1128557764 /nfs/dbraw/zinc/55/77/64/1128557764.db2.gz HEECYOLMCKMRMV-BBRMVZONSA-N 2 1 297.446 3.915 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000564415451 1128507671 /nfs/dbraw/zinc/50/76/71/1128507671.db2.gz PXXXAEIBSFITOR-INIZCTEOSA-N 2 1 278.484 3.811 20 0 CHADMP CC1=C[C@@H](C)C[C@H](C[N@H+]2CCCC23CC[NH+](C)CC3)C1 ZINC000565140319 1128520542 /nfs/dbraw/zinc/52/05/42/1128520542.db2.gz LIZCCAWBCBUXHL-WBVHZDCISA-N 2 1 276.468 3.539 20 0 CHADMP CC(C)c1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000565391854 1128525570 /nfs/dbraw/zinc/52/55/70/1128525570.db2.gz ZVVBQPVCCXCLAJ-YJBOKZPZSA-N 2 1 274.452 3.582 20 0 CHADMP CC(C)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000565391854 1128525572 /nfs/dbraw/zinc/52/55/72/1128525572.db2.gz ZVVBQPVCCXCLAJ-YJBOKZPZSA-N 2 1 274.452 3.582 20 0 CHADMP CC(C)c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000565391854 1128525574 /nfs/dbraw/zinc/52/55/74/1128525574.db2.gz ZVVBQPVCCXCLAJ-YJBOKZPZSA-N 2 1 274.452 3.582 20 0 CHADMP CC(C)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000565391854 1128525575 /nfs/dbraw/zinc/52/55/75/1128525575.db2.gz ZVVBQPVCCXCLAJ-YJBOKZPZSA-N 2 1 274.452 3.582 20 0 CHADMP CCC[N@@H+]1CC[C@@H](CNc2[nH+]ccc3ccc(C)cc32)C1 ZINC000566149012 1128539085 /nfs/dbraw/zinc/53/90/85/1128539085.db2.gz JUKZONVZYJOGOP-HNNXBMFYSA-N 2 1 283.419 3.687 20 0 CHADMP CCC[N@H+]1CC[C@@H](CNc2[nH+]ccc3ccc(C)cc32)C1 ZINC000566149012 1128539088 /nfs/dbraw/zinc/53/90/88/1128539088.db2.gz JUKZONVZYJOGOP-HNNXBMFYSA-N 2 1 283.419 3.687 20 0 CHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC2(C)CCC2)C1 ZINC000556105232 1128547129 /nfs/dbraw/zinc/54/71/29/1128547129.db2.gz VDJDHWVMNDNXAQ-IRXDYDNUSA-N 2 1 278.484 3.763 20 0 CHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC2(C)CCC2)C1 ZINC000556105232 1128547134 /nfs/dbraw/zinc/54/71/34/1128547134.db2.gz VDJDHWVMNDNXAQ-IRXDYDNUSA-N 2 1 278.484 3.763 20 0 CHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC2(C)CCC2)C1 ZINC000556105232 1128547138 /nfs/dbraw/zinc/54/71/38/1128547138.db2.gz VDJDHWVMNDNXAQ-IRXDYDNUSA-N 2 1 278.484 3.763 20 0 CHADMP Cc1cccc2c1cc[nH+]c2NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000566911886 1128554476 /nfs/dbraw/zinc/55/44/76/1128554476.db2.gz RDALUPUTEKKOEK-OAHLLOKOSA-N 2 1 283.419 3.685 20 0 CHADMP Cc1cccc2c1cc[nH+]c2NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000566911886 1128554477 /nfs/dbraw/zinc/55/44/77/1128554477.db2.gz RDALUPUTEKKOEK-OAHLLOKOSA-N 2 1 283.419 3.685 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000567634104 1128568989 /nfs/dbraw/zinc/56/89/89/1128568989.db2.gz JSOGDFPQECSZOH-HNNXBMFYSA-N 2 1 292.442 3.939 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C(C)(C)C ZINC000568047236 1128576871 /nfs/dbraw/zinc/57/68/71/1128576871.db2.gz IOWGJEJTFSRZDF-DJIMGWMZSA-N 2 1 274.452 3.846 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C(C)(C)C ZINC000568047236 1128576874 /nfs/dbraw/zinc/57/68/74/1128576874.db2.gz IOWGJEJTFSRZDF-DJIMGWMZSA-N 2 1 274.452 3.846 20 0 CHADMP [NH3+]C1(C[NH2+]Cc2ccc(C(F)F)cc2)CCCCCC1 ZINC000568605032 1128588536 /nfs/dbraw/zinc/58/85/36/1128588536.db2.gz LOBRMVREYMSION-UHFFFAOYSA-N 2 1 282.378 3.766 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3c(Cl)cccc32)C1 ZINC000568801507 1128592068 /nfs/dbraw/zinc/59/20/68/1128592068.db2.gz XQIQNLYGOLPVIP-SUMWQHHRSA-N 2 1 292.854 3.649 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@H](C)c3c2cccc3C)CC1 ZINC000152627521 1128615187 /nfs/dbraw/zinc/61/51/87/1128615187.db2.gz AMGMWHGOZXHJQP-PBHICJAKSA-N 2 1 272.436 3.617 20 0 CHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000569230055 1128601829 /nfs/dbraw/zinc/60/18/29/1128601829.db2.gz OATCLISOQASWKA-UXHICEINSA-N 2 1 294.442 3.920 20 0 CHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000569230055 1128601832 /nfs/dbraw/zinc/60/18/32/1128601832.db2.gz OATCLISOQASWKA-UXHICEINSA-N 2 1 294.442 3.920 20 0 CHADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1csc2ccccc12 ZINC000569276258 1128602422 /nfs/dbraw/zinc/60/24/22/1128602422.db2.gz NWHCEOYJOFVRPC-XJKSGUPXSA-N 2 1 288.460 3.673 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1csc2ccccc12 ZINC000569276258 1128602423 /nfs/dbraw/zinc/60/24/23/1128602423.db2.gz NWHCEOYJOFVRPC-XJKSGUPXSA-N 2 1 288.460 3.673 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1csc2ccccc12 ZINC000569276258 1128602425 /nfs/dbraw/zinc/60/24/25/1128602425.db2.gz NWHCEOYJOFVRPC-XJKSGUPXSA-N 2 1 288.460 3.673 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1csc2ccccc12 ZINC000569276258 1128602427 /nfs/dbraw/zinc/60/24/27/1128602427.db2.gz NWHCEOYJOFVRPC-XJKSGUPXSA-N 2 1 288.460 3.673 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](C)Cc1ccccc1C ZINC000569254598 1128602897 /nfs/dbraw/zinc/60/28/97/1128602897.db2.gz SZAIWYLCICEJQH-KRWDZBQOSA-N 2 1 299.462 3.843 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](C)Cc1ccccc1C ZINC000569254598 1128602899 /nfs/dbraw/zinc/60/28/99/1128602899.db2.gz SZAIWYLCICEJQH-KRWDZBQOSA-N 2 1 299.462 3.843 20 0 CHADMP Cc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)ccc1Cl ZINC000569859526 1128610686 /nfs/dbraw/zinc/61/06/86/1128610686.db2.gz WFMYUYWMZIDEEA-DOTOQJQBSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)ccc1Cl ZINC000569859526 1128610687 /nfs/dbraw/zinc/61/06/87/1128610687.db2.gz WFMYUYWMZIDEEA-DOTOQJQBSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)ccc1Cl ZINC000569859526 1128610688 /nfs/dbraw/zinc/61/06/88/1128610688.db2.gz WFMYUYWMZIDEEA-DOTOQJQBSA-N 2 1 292.854 3.565 20 0 CHADMP C[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000569927022 1128612112 /nfs/dbraw/zinc/61/21/12/1128612112.db2.gz LHQCWEIQBNFLHM-KBAYOESNSA-N 2 1 284.447 3.572 20 0 CHADMP C[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000569927022 1128612113 /nfs/dbraw/zinc/61/21/13/1128612113.db2.gz LHQCWEIQBNFLHM-KBAYOESNSA-N 2 1 284.447 3.572 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@@H+](C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236221951 1128624784 /nfs/dbraw/zinc/62/47/84/1128624784.db2.gz INVQZVGEOYHQKK-BZUAXINKSA-N 2 1 252.446 3.571 20 0 CHADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000570965642 1128635582 /nfs/dbraw/zinc/63/55/82/1128635582.db2.gz LTUNSCLNJUNOJR-AWEZNQCLSA-N 2 1 286.444 3.586 20 0 CHADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc3ccccc32)C1 ZINC000072857772 1128634737 /nfs/dbraw/zinc/63/47/37/1128634737.db2.gz IIKFLZYYPXAWQF-MRXNPFEDSA-N 2 1 282.431 3.613 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc3ccccc32)C1 ZINC000072857772 1128634738 /nfs/dbraw/zinc/63/47/38/1128634738.db2.gz IIKFLZYYPXAWQF-MRXNPFEDSA-N 2 1 282.431 3.613 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000072857772 1128634740 /nfs/dbraw/zinc/63/47/40/1128634740.db2.gz IIKFLZYYPXAWQF-MRXNPFEDSA-N 2 1 282.431 3.613 20 0 CHADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc3ccccc3c2)C1 ZINC000571924242 1128639477 /nfs/dbraw/zinc/63/94/77/1128639477.db2.gz FRIPYTIHRPDDTL-UXHICEINSA-N 2 1 294.442 3.756 20 0 CHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc3ccccc3c2)C1 ZINC000571924242 1128639479 /nfs/dbraw/zinc/63/94/79/1128639479.db2.gz FRIPYTIHRPDDTL-UXHICEINSA-N 2 1 294.442 3.756 20 0 CHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc3ccccc3c2)C1 ZINC000571924242 1128639481 /nfs/dbraw/zinc/63/94/81/1128639481.db2.gz FRIPYTIHRPDDTL-UXHICEINSA-N 2 1 294.442 3.756 20 0 CHADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@H]1C[C@H]1c1ccccc1 ZINC000573947921 1128659950 /nfs/dbraw/zinc/65/99/50/1128659950.db2.gz QIYDBPNKVAOAAS-MOPGFXCFSA-N 2 1 286.463 3.598 20 0 CHADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001258056471 1128714117 /nfs/dbraw/zinc/71/41/17/1128714117.db2.gz PKZDFKPVILAWFX-XHSDSOJGSA-N 2 1 254.462 3.521 20 0 CHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H](CC2CC2)c2ccccc2)C1 ZINC000578858250 1128730748 /nfs/dbraw/zinc/73/07/48/1128730748.db2.gz OJBJXESTPAFUOI-IEBWSBKVSA-N 2 1 286.463 3.849 20 0 CHADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H]3CCc4ccccc43)C2)CC1 ZINC000799178446 1128731887 /nfs/dbraw/zinc/73/18/87/1128731887.db2.gz VJRXCMVYQTTYME-GOSISDBHSA-N 2 1 298.474 3.524 20 0 CHADMP CC(C)[C@@H](c1ccccc1Cl)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647885661 1117781122 /nfs/dbraw/zinc/78/11/22/1117781122.db2.gz CACBASIDGOZBJC-CJNGLKHVSA-N 2 1 280.843 3.578 20 0 CHADMP CC(C)CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C(C)(C)C ZINC000579767064 1117783657 /nfs/dbraw/zinc/78/36/57/1117783657.db2.gz AOVUELUGFPVWQT-DOTOQJQBSA-N 2 1 280.500 3.911 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)c(Cl)c1 ZINC000643546991 1117793181 /nfs/dbraw/zinc/79/31/81/1117793181.db2.gz YDYHKGSXCDTMLN-AAEUAGOBSA-N 2 1 296.817 3.804 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CCCSc2ccccc2)CC1(C)C ZINC000623339148 1117834667 /nfs/dbraw/zinc/83/46/67/1117834667.db2.gz LVPNFGNLXOLXQB-HNNXBMFYSA-N 2 1 292.492 3.631 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCc3ccccc32)CC1(C)C ZINC000623346525 1117837530 /nfs/dbraw/zinc/83/75/30/1117837530.db2.gz UXJFWCBTNNQCPN-DLBZAZTESA-N 2 1 286.463 3.569 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000623357803 1117840719 /nfs/dbraw/zinc/84/07/19/1117840719.db2.gz ATYFLZMPBYVRAE-INIZCTEOSA-N 2 1 299.462 3.912 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623358252 1117840804 /nfs/dbraw/zinc/84/08/04/1117840804.db2.gz VOMBMNOMIAPPKK-LAQRGFTBSA-N 2 1 278.484 3.523 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]Cc2csc3ccccc23)CC1(C)C ZINC000623360101 1117841126 /nfs/dbraw/zinc/84/11/26/1117841126.db2.gz VHCBOANVCBMCGL-AWEZNQCLSA-N 2 1 288.460 3.864 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CCCc2c[nH]c3ccccc23)CC1(C)C ZINC000623409641 1117851309 /nfs/dbraw/zinc/85/13/09/1117851309.db2.gz JMHRGJDAXMZUSX-MRXNPFEDSA-N 2 1 299.462 3.563 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CCCc2c[nH]c3ccccc23)CC1(C)C ZINC000623409640 1117851520 /nfs/dbraw/zinc/85/15/20/1117851520.db2.gz JMHRGJDAXMZUSX-INIZCTEOSA-N 2 1 299.462 3.563 20 0 CHADMP CC[C@@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1F ZINC000623426460 1117853558 /nfs/dbraw/zinc/85/35/58/1117853558.db2.gz MNRNYZOXSRKUGD-CZUORRHYSA-N 2 1 296.405 3.878 20 0 CHADMP CC[C@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1F ZINC000623426458 1117854363 /nfs/dbraw/zinc/85/43/63/1117854363.db2.gz MNRNYZOXSRKUGD-BBRMVZONSA-N 2 1 296.405 3.878 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)[C@@H](C)c1ccccc1 ZINC000623438994 1117857269 /nfs/dbraw/zinc/85/72/69/1117857269.db2.gz RTXOPZKXOXGJPN-VYDXJSESSA-N 2 1 274.452 3.641 20 0 CHADMP CC(C)c1cccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623495413 1117861783 /nfs/dbraw/zinc/86/17/83/1117861783.db2.gz APZSUJYLPGFSNW-KRWDZBQOSA-N 2 1 274.452 3.772 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)CC1(C)C ZINC000623512457 1117863401 /nfs/dbraw/zinc/86/34/01/1117863401.db2.gz ICSSQOXOGZJIOV-XIRDDKMYSA-N 2 1 290.426 3.534 20 0 CHADMP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623476795 1117863811 /nfs/dbraw/zinc/86/38/11/1117863811.db2.gz PBSLTRXSPUAHMC-QGPMSJSTSA-N 2 1 286.463 3.772 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CCC[C@@H](C)C1 ZINC000623543441 1117869528 /nfs/dbraw/zinc/86/95/28/1117869528.db2.gz RULUEHSOCPZEML-QXSJWSMHSA-N 2 1 266.473 3.664 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]C2(c3cccc(F)c3)CCC2)CC1(C)C ZINC000623557115 1117871187 /nfs/dbraw/zinc/87/11/87/1117871187.db2.gz LHHAFZIALCDMHO-MRXNPFEDSA-N 2 1 290.426 3.667 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CCC(F)(F)CC1 ZINC000623561209 1117872274 /nfs/dbraw/zinc/87/22/74/1117872274.db2.gz FLWGORZRVBREHC-OCCSQVGLSA-N 2 1 288.426 3.663 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2cc3ccccc3o2)C1 ZINC000178542064 1117892412 /nfs/dbraw/zinc/89/24/12/1117892412.db2.gz GWPMVASACVCYFN-OAHLLOKOSA-N 2 1 286.419 3.597 20 0 CHADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3ccccc3o2)C1 ZINC000178542064 1117892414 /nfs/dbraw/zinc/89/24/14/1117892414.db2.gz GWPMVASACVCYFN-OAHLLOKOSA-N 2 1 286.419 3.597 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3ccccc3o2)C1 ZINC000178542064 1117892415 /nfs/dbraw/zinc/89/24/15/1117892415.db2.gz GWPMVASACVCYFN-OAHLLOKOSA-N 2 1 286.419 3.597 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000178542064 1117892417 /nfs/dbraw/zinc/89/24/17/1117892417.db2.gz GWPMVASACVCYFN-OAHLLOKOSA-N 2 1 286.419 3.597 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000178542064 1117892419 /nfs/dbraw/zinc/89/24/19/1117892419.db2.gz GWPMVASACVCYFN-OAHLLOKOSA-N 2 1 286.419 3.597 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccoc2)c1 ZINC000178737739 1117895599 /nfs/dbraw/zinc/89/55/99/1117895599.db2.gz JQEPBXQRALRMMB-CQSZACIVSA-N 2 1 272.392 3.582 20 0 CHADMP c1oc2ccccc2c1CNC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000623728154 1117904396 /nfs/dbraw/zinc/90/43/96/1117904396.db2.gz ADHWVFIUAFYECS-MRXNPFEDSA-N 2 1 284.403 3.539 20 0 CHADMP c1oc2ccccc2c1CNC[C@H]1CC[N@H+]1C1CCCC1 ZINC000623728154 1117904398 /nfs/dbraw/zinc/90/43/98/1117904398.db2.gz ADHWVFIUAFYECS-MRXNPFEDSA-N 2 1 284.403 3.539 20 0 CHADMP C[NH2+]C[C@@H]1CCC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000261948122 1117905985 /nfs/dbraw/zinc/90/59/85/1117905985.db2.gz MQKIGCAOMSNKEK-HNNXBMFYSA-N 2 1 292.426 3.688 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CC2(C(F)(F)F)CCCC2)CC1(C)C ZINC000623788342 1117932829 /nfs/dbraw/zinc/93/28/29/1117932829.db2.gz WXHWDIIAOKIIOQ-GFCCVEGCSA-N 2 1 292.389 3.572 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1Cc2cc(C)ccc2CC1(C)C ZINC000339636192 1117944942 /nfs/dbraw/zinc/94/49/42/1117944942.db2.gz HZUWKVIETYOOAV-UHFFFAOYSA-N 2 1 297.446 3.727 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1Cc2cc(C)ccc2CC1(C)C ZINC000339636192 1117944947 /nfs/dbraw/zinc/94/49/47/1117944947.db2.gz HZUWKVIETYOOAV-UHFFFAOYSA-N 2 1 297.446 3.727 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(C)ccc1C ZINC000623861302 1117945085 /nfs/dbraw/zinc/94/50/85/1117945085.db2.gz URVRMGLAJIMFSI-LPHOPBHVSA-N 2 1 286.463 3.828 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(C)ccc1C ZINC000623890456 1117952066 /nfs/dbraw/zinc/95/20/66/1117952066.db2.gz MSGNYQMZGSHVTR-WMZOPIPTSA-N 2 1 274.452 3.686 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)s1 ZINC000037122951 1117965643 /nfs/dbraw/zinc/96/56/43/1117965643.db2.gz RRVDJKGQNVBCRM-JZIBPQBNSA-N 2 1 278.465 3.641 20 0 CHADMP CCCn1ccnc1CCC[N@@H+](C)C[C@H]1CCCC[C@H]1C ZINC000579407549 1128747339 /nfs/dbraw/zinc/74/73/39/1128747339.db2.gz GMKXXFXKJALLHO-IAGOWNOFSA-N 2 1 291.483 3.984 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H]1CCCC[C@H]1C ZINC000579407549 1128747341 /nfs/dbraw/zinc/74/73/41/1128747341.db2.gz GMKXXFXKJALLHO-IAGOWNOFSA-N 2 1 291.483 3.984 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H]1CCCC[C@H]1C ZINC000579407549 1128747343 /nfs/dbraw/zinc/74/73/43/1128747343.db2.gz GMKXXFXKJALLHO-IAGOWNOFSA-N 2 1 291.483 3.984 20 0 CHADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCSc3ccccc32)C1 ZINC000624119850 1117983354 /nfs/dbraw/zinc/98/33/54/1117983354.db2.gz KWEXDPSTKDUESQ-HOCLYGCPSA-N 2 1 290.476 3.545 20 0 CHADMP Cc1cccc(CC[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000624120666 1117984736 /nfs/dbraw/zinc/98/47/36/1117984736.db2.gz DPHCEYKUJMPWOZ-IEBWSBKVSA-N 2 1 288.479 3.638 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(F)cc1Cl ZINC000624121283 1117985569 /nfs/dbraw/zinc/98/55/69/1117985569.db2.gz SGMWCFUNHRHOJC-QWHCGFSZSA-N 2 1 298.833 3.862 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1Cl ZINC000624121283 1117985572 /nfs/dbraw/zinc/98/55/72/1117985572.db2.gz SGMWCFUNHRHOJC-QWHCGFSZSA-N 2 1 298.833 3.862 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(F)cc1F ZINC000624121263 1117985667 /nfs/dbraw/zinc/98/56/67/1117985667.db2.gz RWKGMRXMCOVBDW-GUYCJALGSA-N 2 1 296.405 3.737 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1F ZINC000624121263 1117985668 /nfs/dbraw/zinc/98/56/68/1117985668.db2.gz RWKGMRXMCOVBDW-GUYCJALGSA-N 2 1 296.405 3.737 20 0 CHADMP C[C@H](CCC(C)(C)C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624123961 1117985742 /nfs/dbraw/zinc/98/57/42/1117985742.db2.gz UTJJDTVWQWYLBJ-HUUCEWRRSA-N 2 1 254.462 3.523 20 0 CHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000624121735 1117985868 /nfs/dbraw/zinc/98/58/68/1117985868.db2.gz CCCZGZBHLWIZEQ-RDTXWAMCSA-N 2 1 290.426 3.598 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(C)c1 ZINC000624124004 1117985986 /nfs/dbraw/zinc/98/59/86/1117985986.db2.gz VLVUKYKWQUGAFS-FUHWJXTLSA-N 2 1 274.452 3.768 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(C)c1 ZINC000624124005 1117987480 /nfs/dbraw/zinc/98/74/80/1117987480.db2.gz VLVUKYKWQUGAFS-SJLPKXTDSA-N 2 1 274.452 3.768 20 0 CHADMP CC[C@@H](c1ccc(F)cc1F)[N@@H+](C)CCCn1ccnc1 ZINC000181085698 1117994032 /nfs/dbraw/zinc/99/40/32/1117994032.db2.gz FXJBNQDMPMOCDX-INIZCTEOSA-N 2 1 293.361 3.635 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(F)c(F)c2)C(C)C)C1 ZINC000181962025 1118010868 /nfs/dbraw/zinc/01/08/68/1118010868.db2.gz VPNVOHIPIUZNPO-CXAGYDPISA-N 2 1 296.405 3.593 20 0 CHADMP Cc1ccccc1[C@H]([NH2+]CCc1c[nH+]cn1C)C1CCCC1 ZINC000579545373 1128751608 /nfs/dbraw/zinc/75/16/08/1128751608.db2.gz MSHRLFLUUQYFHT-LJQANCHMSA-N 2 1 297.446 3.792 20 0 CHADMP CCC[NH+]1CCC([N@H+](C)Cc2cccc(Cl)c2)CC1 ZINC000109788088 1118075795 /nfs/dbraw/zinc/07/57/95/1118075795.db2.gz LDHASOBVTWCNDQ-UHFFFAOYSA-N 2 1 280.843 3.646 20 0 CHADMP CSCCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340245277 1118121458 /nfs/dbraw/zinc/12/14/58/1118121458.db2.gz RFUJPXCWKFBTGB-IAGOWNOFSA-N 2 1 292.492 3.555 20 0 CHADMP CSCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340245277 1118121460 /nfs/dbraw/zinc/12/14/60/1118121460.db2.gz RFUJPXCWKFBTGB-IAGOWNOFSA-N 2 1 292.492 3.555 20 0 CHADMP Cc1oc2ccccc2c1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000123275416 1118154866 /nfs/dbraw/zinc/15/48/66/1118154866.db2.gz NRMIXGCIEVOIKK-OAHLLOKOSA-N 2 1 286.419 3.561 20 0 CHADMP Cc1cccc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000037200201 1118229154 /nfs/dbraw/zinc/22/91/54/1118229154.db2.gz STIGOBVCIFICMA-DLBZAZTESA-N 2 1 274.452 3.910 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCC(=C3CCC3)CC2)C1 ZINC000639170329 1118250016 /nfs/dbraw/zinc/25/00/16/1118250016.db2.gz SZNGMEZDPZLRCU-OAHLLOKOSA-N 2 1 276.468 3.729 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[C@H](C)F)cc1 ZINC000340465870 1118270279 /nfs/dbraw/zinc/27/02/79/1118270279.db2.gz XWHSZXYPVPQHBV-QWHCGFSZSA-N 2 1 275.371 3.579 20 0 CHADMP CSc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000282191843 1118281159 /nfs/dbraw/zinc/28/11/59/1118281159.db2.gz GGCHSUJQMWGLSX-IHRRRGAJSA-N 2 1 278.465 3.542 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)c(C)o1 ZINC000683692293 1118288622 /nfs/dbraw/zinc/28/86/22/1118288622.db2.gz RRKFDPBAHWREJE-DZGCQCFKSA-N 2 1 278.440 3.812 20 0 CHADMP Cc1cccc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)c1C ZINC000061556876 1118307630 /nfs/dbraw/zinc/30/76/30/1118307630.db2.gz YXCCJQQXYDAHPZ-UHFFFAOYSA-N 2 1 296.458 3.915 20 0 CHADMP Cc1cc[nH+]c(C)c1NC1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001210705789 1118366194 /nfs/dbraw/zinc/36/61/94/1118366194.db2.gz QRZYLWGDIOJZCV-INIZCTEOSA-N 2 1 271.408 3.643 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc3cnccc3c2)CC1 ZINC000683827206 1118393093 /nfs/dbraw/zinc/39/30/93/1118393093.db2.gz QYKRRLYGETVUTB-UHFFFAOYSA-N 2 1 297.446 3.541 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C/C(C)=C\c2ccccc2)C1 ZINC000255208289 1118403946 /nfs/dbraw/zinc/40/39/46/1118403946.db2.gz QMJLMSVTUYXMFA-LYDJUCFBSA-N 2 1 286.463 3.754 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C/C(C)=C\c2ccccc2)C1 ZINC000255208289 1118403949 /nfs/dbraw/zinc/40/39/49/1118403949.db2.gz QMJLMSVTUYXMFA-LYDJUCFBSA-N 2 1 286.463 3.754 20 0 CHADMP C[C@@H]1C[C@H](N(C)C/C=C\c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000255472133 1118437610 /nfs/dbraw/zinc/43/76/10/1118437610.db2.gz YOZPBIKLDLPDEY-AYUWKEHRSA-N 2 1 292.854 3.768 20 0 CHADMP C[C@@H]1C[C@H](N(C)C/C=C\c2ccc(Cl)cc2)CC[N@H+]1C ZINC000255472133 1118437612 /nfs/dbraw/zinc/43/76/12/1118437612.db2.gz YOZPBIKLDLPDEY-AYUWKEHRSA-N 2 1 292.854 3.768 20 0 CHADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)([NH+](C)C)C1 ZINC000084987743 1118519873 /nfs/dbraw/zinc/51/98/73/1118519873.db2.gz ZBUPITHWSRRUPI-ILOCAZANSA-N 2 1 280.500 3.911 20 0 CHADMP CC[C@@H]1c2ccccc2CC[N@H+]1CCCCn1cc[nH+]c1C ZINC000124004414 1118579098 /nfs/dbraw/zinc/57/90/98/1118579098.db2.gz ITGDGGBVMKUWNC-LJQANCHMSA-N 2 1 297.446 3.981 20 0 CHADMP CC[C@@H]1c2ccccc2CC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000124004414 1118579100 /nfs/dbraw/zinc/57/91/00/1118579100.db2.gz ITGDGGBVMKUWNC-LJQANCHMSA-N 2 1 297.446 3.981 20 0 CHADMP CCCc1cccc(C[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000349409658 1118583110 /nfs/dbraw/zinc/58/31/10/1118583110.db2.gz SLYPVIZBXJDLQO-UHFFFAOYSA-N 2 1 285.435 3.666 20 0 CHADMP CCCc1cccc(C[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000349409658 1118583112 /nfs/dbraw/zinc/58/31/12/1118583112.db2.gz SLYPVIZBXJDLQO-UHFFFAOYSA-N 2 1 285.435 3.666 20 0 CHADMP C[C@H]1CCC[C@](C[NH2+]C2CCCCCC2)([NH+](C)C)C1 ZINC000109923990 1118588718 /nfs/dbraw/zinc/58/87/18/1118588718.db2.gz FYNWKZMLWPWEAM-RDJZCZTQSA-N 2 1 266.473 3.809 20 0 CHADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000109943870 1118612217 /nfs/dbraw/zinc/61/22/17/1118612217.db2.gz AWQRDCKBCHNOAH-QQFBHYJXSA-N 2 1 268.489 3.911 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1CCC(F)(F)CC1 ZINC000647171162 1118658445 /nfs/dbraw/zinc/65/84/45/1118658445.db2.gz BMTRJGMZASICSR-CQSZACIVSA-N 2 1 288.426 3.809 20 0 CHADMP CC(C)C1CCC(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000394285348 1118680781 /nfs/dbraw/zinc/68/07/81/1118680781.db2.gz JQLWFODSFLOCFG-ADKAHSJRSA-N 2 1 280.500 3.769 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723700157 1118708810 /nfs/dbraw/zinc/70/88/10/1118708810.db2.gz YUSJDBKWXZBYJR-CABCVRRESA-N 2 1 268.404 3.572 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000510676212 1118786453 /nfs/dbraw/zinc/78/64/53/1118786453.db2.gz UAWSNKHMUBZTOK-NJAFHUGGSA-N 2 1 278.484 3.809 20 0 CHADMP C[N@H+](CC[NH2+][C@H]1CCC[C@H]1CCCF)C1CCCCC1 ZINC000510731035 1118805000 /nfs/dbraw/zinc/80/50/00/1118805000.db2.gz FBIRFIZLKCIMCD-RDJZCZTQSA-N 2 1 284.463 3.759 20 0 CHADMP C[N@@H+](CC[NH2+][C@H]1CCC[C@H]1CCCF)C1CCCCC1 ZINC000510731035 1118805007 /nfs/dbraw/zinc/80/50/07/1118805007.db2.gz FBIRFIZLKCIMCD-RDJZCZTQSA-N 2 1 284.463 3.759 20 0 CHADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CCCC(C)(C)C2)CC1 ZINC000535780298 1118887782 /nfs/dbraw/zinc/88/77/82/1118887782.db2.gz XPXPBHWEQOQWQF-HNNXBMFYSA-N 2 1 266.473 3.619 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CCCC(C)(C)C2)CC1 ZINC000535780298 1118887788 /nfs/dbraw/zinc/88/77/88/1118887788.db2.gz XPXPBHWEQOQWQF-HNNXBMFYSA-N 2 1 266.473 3.619 20 0 CHADMP CC[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000093079400 1118974728 /nfs/dbraw/zinc/97/47/28/1118974728.db2.gz IFRUGAZNRJXBNB-BQFCYCMXSA-N 2 1 274.452 3.533 20 0 CHADMP CC[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000093079400 1118974729 /nfs/dbraw/zinc/97/47/29/1118974729.db2.gz IFRUGAZNRJXBNB-BQFCYCMXSA-N 2 1 274.452 3.533 20 0 CHADMP CC[C@@H]1CCC[C@H]([NH2+]CCCn2cc[nH+]c2C)CC1 ZINC000657317586 1118997083 /nfs/dbraw/zinc/99/70/83/1118997083.db2.gz CRAQBBQJZMNKRM-CVEARBPZSA-N 2 1 263.429 3.530 20 0 CHADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000049554238 1119104191 /nfs/dbraw/zinc/10/41/91/1119104191.db2.gz XDRJGSKNDNLASX-SMDDNHRTSA-N 2 1 298.883 3.807 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC2(C)C)c1 ZINC000342692088 1119127762 /nfs/dbraw/zinc/12/77/62/1119127762.db2.gz XFCNAMNEPGSPKW-QGZVFWFLSA-N 2 1 274.452 3.805 20 0 CHADMP CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663465536 1119146534 /nfs/dbraw/zinc/14/65/34/1119146534.db2.gz KJHNKASHMWVBFK-ZBFHGGJFSA-N 2 1 266.473 3.523 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000393624313 1119156316 /nfs/dbraw/zinc/15/63/16/1119156316.db2.gz GVFAJENXAZOYGQ-PKOBYXMFSA-N 2 1 286.463 3.677 20 0 CHADMP Cc1cccc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)[nH+]1 ZINC000077316546 1119191484 /nfs/dbraw/zinc/19/14/84/1119191484.db2.gz BXQNJCVODJRTBK-UHFFFAOYSA-N 2 1 299.393 3.606 20 0 CHADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000657614527 1119208989 /nfs/dbraw/zinc/20/89/89/1119208989.db2.gz DQOJPGLBBWUUCZ-DAYGRLMNSA-N 2 1 290.426 3.739 20 0 CHADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000657614527 1119208990 /nfs/dbraw/zinc/20/89/90/1119208990.db2.gz DQOJPGLBBWUUCZ-DAYGRLMNSA-N 2 1 290.426 3.739 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000342859380 1119212389 /nfs/dbraw/zinc/21/23/89/1119212389.db2.gz JJOFMUWTTFLJTO-QFBILLFUSA-N 2 1 297.446 3.535 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000342859380 1119212392 /nfs/dbraw/zinc/21/23/92/1119212392.db2.gz JJOFMUWTTFLJTO-QFBILLFUSA-N 2 1 297.446 3.535 20 0 CHADMP CC[C@H]1CCCC[C@@H]1C[NH2+]CCCCn1cc[nH+]c1C ZINC000628218403 1128829858 /nfs/dbraw/zinc/82/98/58/1128829858.db2.gz DWVQRMWLDUSTJV-DLBZAZTESA-N 2 1 277.456 3.778 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000657681105 1119242911 /nfs/dbraw/zinc/24/29/11/1119242911.db2.gz MOINGAWBPAABBB-MOPGFXCFSA-N 2 1 298.474 3.962 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000657681105 1119242912 /nfs/dbraw/zinc/24/29/12/1119242912.db2.gz MOINGAWBPAABBB-MOPGFXCFSA-N 2 1 298.474 3.962 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)s1 ZINC000121412144 1119262471 /nfs/dbraw/zinc/26/24/71/1119262471.db2.gz XGWLRWUUWFPOIG-AAEUAGOBSA-N 2 1 277.437 3.548 20 0 CHADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)C1CC(F)(F)C1 ZINC000628199901 1119284564 /nfs/dbraw/zinc/28/45/64/1119284564.db2.gz NVTDRSVWAJXWOC-CYBMUJFWSA-N 2 1 288.426 3.664 20 0 CHADMP CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000122816639 1119287000 /nfs/dbraw/zinc/28/70/00/1119287000.db2.gz FVNLYACSQJCZTF-MOPGFXCFSA-N 2 1 298.474 3.785 20 0 CHADMP Cc1ccoc1CNCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000080206549 1119347595 /nfs/dbraw/zinc/34/75/95/1119347595.db2.gz RBAWCJKTVSOXHS-INIZCTEOSA-N 2 1 286.419 3.588 20 0 CHADMP Cc1ccoc1CNCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000080206548 1119347803 /nfs/dbraw/zinc/34/78/03/1119347803.db2.gz RBAWCJKTVSOXHS-MRXNPFEDSA-N 2 1 286.419 3.588 20 0 CHADMP Clc1c[nH+]ccc1NC1CCC([NH+]2CCCCC2)CC1 ZINC000080247793 1119351070 /nfs/dbraw/zinc/35/10/70/1119351070.db2.gz UQAMDXFCBMQMPA-UHFFFAOYSA-N 2 1 293.842 3.944 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CC(c2ccccc2C)C1 ZINC000127070503 1119357511 /nfs/dbraw/zinc/35/75/11/1119357511.db2.gz PKXHVQVNOMNXBG-NNGSBXSVSA-N 2 1 297.446 3.672 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+]C3CC4(CCC4)C3)CC2)cc1 ZINC000448057245 1119359974 /nfs/dbraw/zinc/35/99/74/1119359974.db2.gz BBQYGNYCJAAAFR-UHFFFAOYSA-N 2 1 284.447 3.573 20 0 CHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC2(CCC2)C1 ZINC000448066296 1119371473 /nfs/dbraw/zinc/37/14/73/1119371473.db2.gz DBVXPVXQMUIOAZ-LPHOPBHVSA-N 2 1 298.474 3.819 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC2(CCC2)C1 ZINC000448066296 1119371475 /nfs/dbraw/zinc/37/14/75/1119371475.db2.gz DBVXPVXQMUIOAZ-LPHOPBHVSA-N 2 1 298.474 3.819 20 0 CHADMP Cc1cccc(Cl)c1C[N@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236633688 1128842854 /nfs/dbraw/zinc/84/28/54/1128842854.db2.gz KBCUEHYSTPLBMB-UHFFFAOYSA-N 2 1 292.854 3.755 20 0 CHADMP Cc1cccc(Cl)c1C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236633688 1128842859 /nfs/dbraw/zinc/84/28/59/1128842859.db2.gz KBCUEHYSTPLBMB-UHFFFAOYSA-N 2 1 292.854 3.755 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000583745736 1119405005 /nfs/dbraw/zinc/40/50/05/1119405005.db2.gz MXUKBTMIPWPJCA-BPQIPLTHSA-N 2 1 274.452 3.500 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000583745736 1119405007 /nfs/dbraw/zinc/40/50/07/1119405007.db2.gz MXUKBTMIPWPJCA-BPQIPLTHSA-N 2 1 274.452 3.500 20 0 CHADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC000250594822 1119463412 /nfs/dbraw/zinc/46/34/12/1119463412.db2.gz PEPMDRUUKPUPGI-FUHWJXTLSA-N 2 1 286.463 3.558 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H](C(C)(C)C)CC2)C1 ZINC000250704449 1119483522 /nfs/dbraw/zinc/48/35/22/1119483522.db2.gz PEFMSPPAMDWQOK-IKGGRYGDSA-N 2 1 280.500 3.913 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccccc1Cl)C(C)C ZINC000091313915 1119554479 /nfs/dbraw/zinc/55/44/79/1119554479.db2.gz QCEAMTQAMXDDNN-INIZCTEOSA-N 2 1 291.826 3.832 20 0 CHADMP C[N@@H+](CC1CCCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375758452 1119556492 /nfs/dbraw/zinc/55/64/92/1119556492.db2.gz AEVNAYGRNCSCPK-SJPCQFCGSA-N 2 1 264.457 3.514 20 0 CHADMP C[NH+](CC1CCCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375758452 1119556494 /nfs/dbraw/zinc/55/64/94/1119556494.db2.gz AEVNAYGRNCSCPK-SJPCQFCGSA-N 2 1 264.457 3.514 20 0 CHADMP C[NH+](CC1CCCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375758452 1119556497 /nfs/dbraw/zinc/55/64/97/1119556497.db2.gz AEVNAYGRNCSCPK-SJPCQFCGSA-N 2 1 264.457 3.514 20 0 CHADMP CC[N@@H+](C)Cc1cccc(CNc2ccncc2Cl)c1 ZINC000091457202 1119557111 /nfs/dbraw/zinc/55/71/11/1119557111.db2.gz ZGKOUIOXCTUTCU-UHFFFAOYSA-N 2 1 289.810 3.799 20 0 CHADMP CC[N@H+](C)Cc1cccc(CNc2cc[nH+]cc2Cl)c1 ZINC000091457202 1119557115 /nfs/dbraw/zinc/55/71/15/1119557115.db2.gz ZGKOUIOXCTUTCU-UHFFFAOYSA-N 2 1 289.810 3.799 20 0 CHADMP CC[N@@H+](C)Cc1cccc(CNc2cc[nH+]cc2Cl)c1 ZINC000091457202 1119557117 /nfs/dbraw/zinc/55/71/17/1119557117.db2.gz ZGKOUIOXCTUTCU-UHFFFAOYSA-N 2 1 289.810 3.799 20 0 CHADMP C[NH+](Cc1ccccc1C1CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000685443803 1119607885 /nfs/dbraw/zinc/60/78/85/1119607885.db2.gz HGEGTWRRHYIICL-JWTNVVGKSA-N 2 1 284.447 3.621 20 0 CHADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000312584078 1119637637 /nfs/dbraw/zinc/63/76/37/1119637637.db2.gz CFHJIEMQYBPGKK-WLYUNCDWSA-N 2 1 294.870 3.904 20 0 CHADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000312584078 1119637639 /nfs/dbraw/zinc/63/76/39/1119637639.db2.gz CFHJIEMQYBPGKK-WLYUNCDWSA-N 2 1 294.870 3.904 20 0 CHADMP CSc1ccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)s1 ZINC000685620306 1119639879 /nfs/dbraw/zinc/63/98/79/1119639879.db2.gz BPGASDHGVBBMFA-CYBMUJFWSA-N 2 1 298.521 3.824 20 0 CHADMP C[C@H](CC[NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000628425642 1128859710 /nfs/dbraw/zinc/85/97/10/1128859710.db2.gz QUNOLUZZODMMGD-SJORKVTESA-N 2 1 274.452 3.502 20 0 CHADMP CC(C)C[C@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccncc1 ZINC000658095625 1119681888 /nfs/dbraw/zinc/68/18/88/1119681888.db2.gz JTNHNACSDORGSS-IRXDYDNUSA-N 2 1 289.467 3.631 20 0 CHADMP CC(C)C[C@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccncc1 ZINC000658095625 1119681890 /nfs/dbraw/zinc/68/18/90/1119681890.db2.gz JTNHNACSDORGSS-IRXDYDNUSA-N 2 1 289.467 3.631 20 0 CHADMP CC(C)[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccccc1F ZINC000658164852 1119694900 /nfs/dbraw/zinc/69/49/00/1119694900.db2.gz AHSLCPIBRQWCOG-GOSISDBHSA-N 2 1 292.442 3.985 20 0 CHADMP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@H+]1CC1CC[NH+](C)CC1 ZINC001207399102 1119735294 /nfs/dbraw/zinc/73/52/94/1119735294.db2.gz ZUGXLWZCOSBPEP-QZTJIDSGSA-N 2 1 296.499 3.591 20 0 CHADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000223485353 1119740156 /nfs/dbraw/zinc/74/01/56/1119740156.db2.gz MSXQQNWEAYGVIE-ZKXLYKBJSA-N 2 1 278.484 3.664 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]2CCc2ccccc2)CC1 ZINC000545242237 1119772513 /nfs/dbraw/zinc/77/25/13/1119772513.db2.gz PORUOJNAXBITHZ-WOJBJXKFSA-N 2 1 298.474 3.639 20 0 CHADMP CC[C@H]1C[N@@H+](Cc2c(C)cc(Cl)cc2C)CC[C@@H]1[NH3+] ZINC000647498828 1119851014 /nfs/dbraw/zinc/85/10/14/1119851014.db2.gz RRUZVVMBHDPQMV-BBRMVZONSA-N 2 1 280.843 3.516 20 0 CHADMP c1ccc(CC2CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000414090947 1119893461 /nfs/dbraw/zinc/89/34/61/1119893461.db2.gz DBHMGDKICHELPP-UHFFFAOYSA-N 2 1 298.474 3.568 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000414171152 1119925745 /nfs/dbraw/zinc/92/57/45/1119925745.db2.gz CRELTJPAVBCXHC-NBMJBFSESA-N 2 1 286.463 3.500 20 0 CHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000414170844 1119925992 /nfs/dbraw/zinc/92/59/92/1119925992.db2.gz CKDRDQNUXGXLAN-GDBMZVCRSA-N 2 1 290.476 3.545 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000414172561 1119926489 /nfs/dbraw/zinc/92/64/89/1119926489.db2.gz FLYQXZDGXUTXOX-DLBZAZTESA-N 2 1 274.452 3.686 20 0 CHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000414183257 1119929518 /nfs/dbraw/zinc/92/95/18/1119929518.db2.gz NDUPEAUIPTVAJD-GUYCJALGSA-N 2 1 292.854 3.649 20 0 CHADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1F ZINC000414198282 1119935318 /nfs/dbraw/zinc/93/53/18/1119935318.db2.gz WXRUQWUFKBYQBY-SUMWQHHRSA-N 2 1 296.405 3.737 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000414201049 1119937326 /nfs/dbraw/zinc/93/73/26/1119937326.db2.gz YAPHEZWBHZXFPJ-KGLIPLIRSA-N 2 1 280.481 3.693 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000613491408 1119939530 /nfs/dbraw/zinc/93/95/30/1119939530.db2.gz QHBJCHUAIGTOFU-UHFFFAOYSA-N 2 1 292.442 3.770 20 0 CHADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2F)CC1 ZINC000414283741 1119965248 /nfs/dbraw/zinc/96/52/48/1119965248.db2.gz JQTSGZOQXNQPKT-DZOHQFGASA-N 2 1 296.474 3.900 20 0 CHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC2(C1)CCCCC2 ZINC000472588572 1119987407 /nfs/dbraw/zinc/98/74/07/1119987407.db2.gz KPDUSKBSTHTEBT-MRXNPFEDSA-N 2 1 264.457 3.517 20 0 CHADMP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624119502 1120051506 /nfs/dbraw/zinc/05/15/06/1120051506.db2.gz DGAGCGGXFAHHBB-ARFHVFGLSA-N 2 1 254.462 3.523 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc2ccccc2n1 ZINC000624121132 1120075110 /nfs/dbraw/zinc/07/51/10/1120075110.db2.gz OSMMTOFMSXXUQP-HZPDHXFCSA-N 2 1 297.446 3.617 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc2ccccc2n1 ZINC000624121132 1120075116 /nfs/dbraw/zinc/07/51/16/1120075116.db2.gz OSMMTOFMSXXUQP-HZPDHXFCSA-N 2 1 297.446 3.617 20 0 CHADMP CC[C@H](Cc1cccs1)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001116295398 1120077194 /nfs/dbraw/zinc/07/71/94/1120077194.db2.gz IFUXKXHWAUQQRC-KBMXLJTQSA-N 2 1 280.481 3.532 20 0 CHADMP Cc1ccc([C@H]([NH2+]CCC[NH+]2CCCC2)C2CCC2)o1 ZINC000542674240 1120101411 /nfs/dbraw/zinc/10/14/11/1120101411.db2.gz OOWUZQMIPAEQLG-QGZVFWFLSA-N 2 1 276.424 3.505 20 0 CHADMP C[C@@H]1[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC000624122315 1120103934 /nfs/dbraw/zinc/10/39/34/1120103934.db2.gz OCFFNVKPZWAHKS-RNIPGJKVSA-N 2 1 286.463 3.500 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2)[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000353202365 1120118900 /nfs/dbraw/zinc/11/89/00/1120118900.db2.gz PDJIYBHLLKSJOF-BPQIPLTHSA-N 2 1 272.436 3.554 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2)[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000353202365 1120118901 /nfs/dbraw/zinc/11/89/01/1120118901.db2.gz PDJIYBHLLKSJOF-BPQIPLTHSA-N 2 1 272.436 3.554 20 0 CHADMP C[C@@H]1C[C@H](c2ccccc2)[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000353202365 1120118904 /nfs/dbraw/zinc/11/89/04/1120118904.db2.gz PDJIYBHLLKSJOF-BPQIPLTHSA-N 2 1 272.436 3.554 20 0 CHADMP CCC[C@H](C)[NH+](C)C/C=C/C[N@H+](C)[C@@H](C)CCC ZINC000613639508 1120136855 /nfs/dbraw/zinc/13/68/55/1120136855.db2.gz IMKXDEMMJGTGHP-IGXNXKSNSA-N 2 1 254.462 3.783 20 0 CHADMP CCC[N@@H+](Cc1csc2ccccc12)C1CC[NH2+]CC1 ZINC000111312753 1120145073 /nfs/dbraw/zinc/14/50/73/1120145073.db2.gz XXTVUYAVSNMWKN-UHFFFAOYSA-N 2 1 288.460 3.865 20 0 CHADMP CC(C)[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000472736180 1120157064 /nfs/dbraw/zinc/15/70/64/1120157064.db2.gz NCNGKKRHBRXQHY-IRXDYDNUSA-N 2 1 266.473 3.619 20 0 CHADMP CC(C)[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000472736180 1120157065 /nfs/dbraw/zinc/15/70/65/1120157065.db2.gz NCNGKKRHBRXQHY-IRXDYDNUSA-N 2 1 266.473 3.619 20 0 CHADMP Cc1ccccc1[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000472769287 1120168044 /nfs/dbraw/zinc/16/80/44/1120168044.db2.gz YELRCFIVJZWCPQ-SJORKVTESA-N 2 1 274.452 3.862 20 0 CHADMP C[C@@H](c1cccc(F)c1)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000472774031 1120172093 /nfs/dbraw/zinc/17/20/93/1120172093.db2.gz RKJABCCTQNBIJL-YOEHRIQHSA-N 2 1 278.415 3.693 20 0 CHADMP C[C@@H](c1cccc(F)c1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000472774031 1120172095 /nfs/dbraw/zinc/17/20/95/1120172095.db2.gz RKJABCCTQNBIJL-YOEHRIQHSA-N 2 1 278.415 3.693 20 0 CHADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000472774031 1120172099 /nfs/dbraw/zinc/17/20/99/1120172099.db2.gz RKJABCCTQNBIJL-YOEHRIQHSA-N 2 1 278.415 3.693 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CC2([NH3+])CCCC2)c2ccsc2S1 ZINC000665249499 1120183017 /nfs/dbraw/zinc/18/30/17/1120183017.db2.gz RRGPKWVLIXIVAF-CMPLNLGQSA-N 2 1 282.478 3.535 20 0 CHADMP CC(C)C[C@@H](C)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309852743 1120235166 /nfs/dbraw/zinc/23/51/66/1120235166.db2.gz BFVDHUHPAAIJEN-IEBWSBKVSA-N 2 1 288.479 3.923 20 0 CHADMP CCCC[C@@H](CC)C[N@@H+](CCC)C[C@@H]1CC[NH2+]C1 ZINC001236831412 1128902227 /nfs/dbraw/zinc/90/22/27/1128902227.db2.gz QSIOSXPKYQVPFH-HZPDHXFCSA-N 2 1 254.462 3.524 20 0 CHADMP CC[C@H](C)C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309883668 1120282872 /nfs/dbraw/zinc/28/28/72/1120282872.db2.gz KMOKEDDJOVJZQE-WMZOPIPTSA-N 2 1 274.452 3.534 20 0 CHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC2CC=CC2)C1 ZINC000659929825 1120291462 /nfs/dbraw/zinc/29/14/62/1120291462.db2.gz WJTXMQADLNIJMI-FUHWJXTLSA-N 2 1 276.468 3.539 20 0 CHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC2CC=CC2)C1 ZINC000659929825 1120291468 /nfs/dbraw/zinc/29/14/68/1120291468.db2.gz WJTXMQADLNIJMI-FUHWJXTLSA-N 2 1 276.468 3.539 20 0 CHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC2CC=CC2)C1 ZINC000659929825 1120291471 /nfs/dbraw/zinc/29/14/71/1120291471.db2.gz WJTXMQADLNIJMI-FUHWJXTLSA-N 2 1 276.468 3.539 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338776017 1120297227 /nfs/dbraw/zinc/29/72/27/1120297227.db2.gz JEXAOJVSVQYUAJ-AYOQOUSVSA-N 2 1 297.446 3.754 20 0 CHADMP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000659945181 1120300801 /nfs/dbraw/zinc/30/08/01/1120300801.db2.gz SYPRBKRUEYIMKL-LSDHHAIUSA-N 2 1 288.426 3.618 20 0 CHADMP Cc1ccc2ncc(C[NH2+][C@H](C[NH3+])C3CCCCC3)cc2c1 ZINC000629539109 1128914890 /nfs/dbraw/zinc/91/48/90/1128914890.db2.gz ZBBAHJUNYOVXHC-LJQANCHMSA-N 2 1 297.446 3.540 20 0 CHADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@H]1c1ccccc1 ZINC000364071032 1120423767 /nfs/dbraw/zinc/42/37/67/1120423767.db2.gz DMTJBAVXCCKSOG-AKHDSKFASA-N 2 1 298.474 3.785 20 0 CHADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417315847 1120423873 /nfs/dbraw/zinc/42/38/73/1120423873.db2.gz STCWZHUIWQHQJV-APIJFGDWSA-N 2 1 280.481 3.560 20 0 CHADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417315847 1120423877 /nfs/dbraw/zinc/42/38/77/1120423877.db2.gz STCWZHUIWQHQJV-APIJFGDWSA-N 2 1 280.481 3.560 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000417336392 1120429642 /nfs/dbraw/zinc/42/96/42/1120429642.db2.gz HWQFPYVZLFMLLV-XUWVNRHRSA-N 2 1 292.492 3.562 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C2CC2)cc1 ZINC000417355300 1120434665 /nfs/dbraw/zinc/43/46/65/1120434665.db2.gz NJCHHVWKZAEOKE-GDIGMMSISA-N 2 1 284.447 3.841 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2CC=CC2)cc1 ZINC000660202266 1120437953 /nfs/dbraw/zinc/43/79/53/1120437953.db2.gz BNHHRHYGXSHYAM-CQSZACIVSA-N 2 1 281.403 3.798 20 0 CHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]CC(C)(C)C)CC1 ZINC000116367535 1120469128 /nfs/dbraw/zinc/46/91/28/1120469128.db2.gz JATQNBQKJXDQEK-HNNXBMFYSA-N 2 1 274.452 3.848 20 0 CHADMP Cc1cc(C)c(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1C ZINC000584866053 1120472371 /nfs/dbraw/zinc/47/23/71/1120472371.db2.gz NEMCKMKHGORESP-HKUYNNGSSA-N 2 1 286.463 3.528 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1C ZINC000584866053 1120472374 /nfs/dbraw/zinc/47/23/74/1120472374.db2.gz NEMCKMKHGORESP-HKUYNNGSSA-N 2 1 286.463 3.528 20 0 CHADMP Cc1cc(C)c(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1C ZINC000584866053 1120472375 /nfs/dbraw/zinc/47/23/75/1120472375.db2.gz NEMCKMKHGORESP-HKUYNNGSSA-N 2 1 286.463 3.528 20 0 CHADMP Cc1cc(C)c(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1C ZINC000584866060 1120472516 /nfs/dbraw/zinc/47/25/16/1120472516.db2.gz NEMCKMKHGORESP-MJGOQNOKSA-N 2 1 286.463 3.528 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1C ZINC000584866060 1120472520 /nfs/dbraw/zinc/47/25/20/1120472520.db2.gz NEMCKMKHGORESP-MJGOQNOKSA-N 2 1 286.463 3.528 20 0 CHADMP Cc1cc(C)c(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1C ZINC000584866060 1120472522 /nfs/dbraw/zinc/47/25/22/1120472522.db2.gz NEMCKMKHGORESP-MJGOQNOKSA-N 2 1 286.463 3.528 20 0 CHADMP CC[C@@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000500129636 1120517428 /nfs/dbraw/zinc/51/74/28/1120517428.db2.gz OOQWAJVXRSGSEM-HZPDHXFCSA-N 2 1 266.473 3.761 20 0 CHADMP c1csc([C@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)c1 ZINC000193458627 1120571876 /nfs/dbraw/zinc/57/18/76/1120571876.db2.gz LPVLEAFKERLHOU-OAHLLOKOSA-N 2 1 278.465 3.761 20 0 CHADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC000922675810 1120579849 /nfs/dbraw/zinc/57/98/49/1120579849.db2.gz YCNMEIHEBQBWIK-GOEBONIOSA-N 2 1 290.451 3.527 20 0 CHADMP CC[C@H](c1ccc(F)cc1)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660658600 1120674234 /nfs/dbraw/zinc/67/42/34/1120674234.db2.gz HUGWAQJHTTVYIF-MSOLQXFVSA-N 2 1 290.426 3.695 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660658600 1120674235 /nfs/dbraw/zinc/67/42/35/1120674235.db2.gz HUGWAQJHTTVYIF-MSOLQXFVSA-N 2 1 290.426 3.695 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660658600 1120674237 /nfs/dbraw/zinc/67/42/37/1120674237.db2.gz HUGWAQJHTTVYIF-MSOLQXFVSA-N 2 1 290.426 3.695 20 0 CHADMP CC[C@H](c1ccc(F)cc1)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660658602 1120674777 /nfs/dbraw/zinc/67/47/77/1120674777.db2.gz HUGWAQJHTTVYIF-QZTJIDSGSA-N 2 1 290.426 3.695 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660658602 1120674778 /nfs/dbraw/zinc/67/47/78/1120674778.db2.gz HUGWAQJHTTVYIF-QZTJIDSGSA-N 2 1 290.426 3.695 20 0 CHADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660658602 1120674781 /nfs/dbraw/zinc/67/47/81/1120674781.db2.gz HUGWAQJHTTVYIF-QZTJIDSGSA-N 2 1 290.426 3.695 20 0 CHADMP Cc1cc[nH+]c(N[C@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000925721283 1120698563 /nfs/dbraw/zinc/69/85/63/1120698563.db2.gz BSHLEGOOCOSBFQ-CQSZACIVSA-N 2 1 269.392 3.625 20 0 CHADMP CC(C)CC(CC(C)C)[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000228079878 1120732489 /nfs/dbraw/zinc/73/24/89/1120732489.db2.gz CLRHIHRGDZXQPE-GOSISDBHSA-N 2 1 280.500 3.913 20 0 CHADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)CC(C)(C)C1 ZINC000228080076 1120735051 /nfs/dbraw/zinc/73/50/51/1120735051.db2.gz XGVHUPSBOPHRGU-SOLBZPMBSA-N 2 1 278.484 3.667 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000164598765 1120836705 /nfs/dbraw/zinc/83/67/05/1120836705.db2.gz YPYRFLRCWQZQPM-LBPRGKRZSA-N 2 1 293.361 3.601 20 0 CHADMP CC1(C)C[C@]1(C)C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000925735435 1120843799 /nfs/dbraw/zinc/84/37/99/1120843799.db2.gz ZUBOGHQJVYGYQH-SOLBZPMBSA-N 2 1 272.436 3.506 20 0 CHADMP CC(C)[NH+](CC[NH2+][C@@H]1CC(C)(C)C[C@H]1C)C(C)C ZINC000232652840 1120885740 /nfs/dbraw/zinc/88/57/40/1120885740.db2.gz FCBBLPWPUOYXAW-HUUCEWRRSA-N 2 1 254.462 3.520 20 0 CHADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000662272464 1120914863 /nfs/dbraw/zinc/91/48/63/1120914863.db2.gz NPYJLUVCNIJMMF-ZHALLVOQSA-N 2 1 286.463 3.631 20 0 CHADMP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297266 1120921746 /nfs/dbraw/zinc/92/17/46/1120921746.db2.gz OWSPVMYUVLZKNH-RHSMWYFYSA-N 2 1 290.426 3.598 20 0 CHADMP C[C@@H]1CCC[N@@H+](Cc2ccsc2Cl)[C@@H]1CCC[NH3+] ZINC000662313075 1120924539 /nfs/dbraw/zinc/92/45/39/1120924539.db2.gz JGCAFXIWHIUSFC-DGCLKSJQSA-N 2 1 286.872 3.741 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@]1(c2ccccc2)CC1(C)C ZINC000662344285 1120929017 /nfs/dbraw/zinc/92/90/17/1120929017.db2.gz XWUKACXFNXORPM-IBGZPJMESA-N 2 1 297.446 3.887 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000221912451 1120934683 /nfs/dbraw/zinc/93/46/83/1120934683.db2.gz NBXAKRLNTZMWJZ-LLVKDONJSA-N 2 1 274.861 3.782 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000221912451 1120934686 /nfs/dbraw/zinc/93/46/86/1120934686.db2.gz NBXAKRLNTZMWJZ-LLVKDONJSA-N 2 1 274.861 3.782 20 0 CHADMP c1cc(C2CC2)ccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663343850 1120941028 /nfs/dbraw/zinc/94/10/28/1120941028.db2.gz GYKARAQIZSHCID-SFHVURJKSA-N 2 1 298.474 3.776 20 0 CHADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169508 1120958593 /nfs/dbraw/zinc/95/85/93/1120958593.db2.gz MMPWWIIAEYFMSK-JKSUJKDBSA-N 2 1 282.431 3.962 20 0 CHADMP CCC[C@H](C)CCC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC001167804431 1120960453 /nfs/dbraw/zinc/96/04/53/1120960453.db2.gz ORMWWYXCSQHONX-GJZGRUSLSA-N 2 1 263.429 3.806 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cc2ccccc2s1 ZINC000121975499 1120967987 /nfs/dbraw/zinc/96/79/87/1120967987.db2.gz HOVFLIKVVNZKPQ-GFCCVEGCSA-N 2 1 274.433 3.646 20 0 CHADMP C([NH2+][C@H]1CCCC12CCCC2)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663465867 1120981103 /nfs/dbraw/zinc/98/11/03/1120981103.db2.gz LZOXZLRPPWCMRC-ROUUACIJSA-N 2 1 290.495 3.811 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C1CCCC1 ZINC000663466624 1120983104 /nfs/dbraw/zinc/98/31/04/1120983104.db2.gz WCTQJMLGVSYBPD-AEFFLSMTSA-N 2 1 278.484 3.667 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CCCCC1 ZINC000663466952 1120983179 /nfs/dbraw/zinc/98/31/79/1120983179.db2.gz BWKCXDSWMIXZNA-RDJZCZTQSA-N 2 1 278.484 3.667 20 0 CHADMP Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468548 1120983788 /nfs/dbraw/zinc/98/37/88/1120983788.db2.gz MBTZAOUFMLRMEV-FXAWDEMLSA-N 2 1 298.474 3.694 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663468824 1120983835 /nfs/dbraw/zinc/98/38/35/1120983835.db2.gz MXIBFIPHVBELNQ-GDBMZVCRSA-N 2 1 292.492 3.829 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000663470177 1120985148 /nfs/dbraw/zinc/98/51/48/1120985148.db2.gz SSKHBUYHOKMJMM-HKUYNNGSSA-N 2 1 286.463 3.849 20 0 CHADMP CC1(C)C[C@@]1(C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000663477779 1120989610 /nfs/dbraw/zinc/98/96/10/1120989610.db2.gz VLBBMCDJNFKCFE-HXUWFJFHSA-N 2 1 298.474 3.571 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](C)[C@H]1C ZINC001167823992 1120995747 /nfs/dbraw/zinc/99/57/47/1120995747.db2.gz APMXQUXPFWKAJN-OWCLPIDISA-N 2 1 254.462 3.617 20 0 CHADMP C[C@@H]([NH3+])C[NH2+][C@@H](Cc1ccccc1Cl)c1cccs1 ZINC000643527367 1121006723 /nfs/dbraw/zinc/00/67/23/1121006723.db2.gz LOEWZOAZUXMUMO-RISCZKNCSA-N 2 1 294.851 3.622 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H]1c1ccccc1 ZINC001167833636 1121018731 /nfs/dbraw/zinc/01/87/31/1121018731.db2.gz CZGFTLQEFMBSFP-SJLPKXTDSA-N 2 1 274.452 3.944 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001167839492 1121042550 /nfs/dbraw/zinc/04/25/50/1121042550.db2.gz YHLKKNYEUBTEKV-YESZJQIVSA-N 2 1 266.473 3.761 20 0 CHADMP CCC[N@H+](C)CC(C)(C)[NH2+]CCC1=CCCCC1 ZINC001174818343 1121044011 /nfs/dbraw/zinc/04/40/11/1121044011.db2.gz CTNFHUPENJAVOL-UHFFFAOYSA-N 2 1 252.446 3.587 20 0 CHADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCC1=CCCCC1 ZINC001174818343 1121044018 /nfs/dbraw/zinc/04/40/18/1121044018.db2.gz CTNFHUPENJAVOL-UHFFFAOYSA-N 2 1 252.446 3.587 20 0 CHADMP CC[C@@H]1CCC[C@@H](C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)C1 ZINC000344068776 1121072132 /nfs/dbraw/zinc/07/21/32/1121072132.db2.gz KJGOMPORGASAAO-USXIJHARSA-N 2 1 277.456 3.634 20 0 CHADMP CC[C@H](C)C[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182058128 1121086034 /nfs/dbraw/zinc/08/60/34/1121086034.db2.gz XIIMSKVQPDANQJ-HNNXBMFYSA-N 2 1 289.467 3.675 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1c1cccs1 ZINC000162688912 1121106687 /nfs/dbraw/zinc/10/66/87/1121106687.db2.gz AHUKHKKHIAWJOA-HNNXBMFYSA-N 2 1 289.448 3.870 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1c1cccs1 ZINC000162688912 1121106692 /nfs/dbraw/zinc/10/66/92/1121106692.db2.gz AHUKHKKHIAWJOA-HNNXBMFYSA-N 2 1 289.448 3.870 20 0 CHADMP CCCC[N@@H+](CCC(C)(C)O)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174983304 1121141560 /nfs/dbraw/zinc/14/15/60/1121141560.db2.gz GKWGFCKZMRTQKE-UHFFFAOYSA-N 2 1 298.515 3.559 20 0 CHADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000925825658 1121152056 /nfs/dbraw/zinc/15/20/56/1121152056.db2.gz BDCOHGBICKZFPF-RZAIGCCYSA-N 2 1 284.378 3.930 20 0 CHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@]2(CC=CCC2)C1 ZINC000351593844 1121182625 /nfs/dbraw/zinc/18/26/25/1121182625.db2.gz FJJZXDPNJJNYLU-ROUUACIJSA-N 2 1 276.468 3.683 20 0 CHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000351593844 1121182629 /nfs/dbraw/zinc/18/26/29/1121182629.db2.gz FJJZXDPNJJNYLU-ROUUACIJSA-N 2 1 276.468 3.683 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(C)(C)F ZINC000658193753 1121214074 /nfs/dbraw/zinc/21/40/74/1121214074.db2.gz YEUXABOCLFKRDG-WBVHZDCISA-N 2 1 292.442 3.625 20 0 CHADMP Cc1c2ccccc2oc1[C@H](C)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000124339422 1121292536 /nfs/dbraw/zinc/29/25/36/1121292536.db2.gz JXXAMQFRBIJZRK-GJZGRUSLSA-N 2 1 298.430 3.876 20 0 CHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000124339422 1121292551 /nfs/dbraw/zinc/29/25/51/1121292551.db2.gz JXXAMQFRBIJZRK-GJZGRUSLSA-N 2 1 298.430 3.876 20 0 CHADMP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000675751856 1121350923 /nfs/dbraw/zinc/35/09/23/1121350923.db2.gz ABZIKGOHANUTDY-NCOADZHNSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@H](CC[NH2+]CC(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC000237460979 1121378111 /nfs/dbraw/zinc/37/81/11/1121378111.db2.gz CJWVCPZKBMZWHK-OAHLLOKOSA-N 2 1 262.441 3.533 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@]1(C)C1CCCCC1 ZINC001175643042 1121405941 /nfs/dbraw/zinc/40/59/41/1121405941.db2.gz JNXLGXLWAMHGCV-IAGOWNOFSA-N 2 1 264.457 3.515 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@]1(C)C1CCCCC1 ZINC001175643042 1121405948 /nfs/dbraw/zinc/40/59/48/1121405948.db2.gz JNXLGXLWAMHGCV-IAGOWNOFSA-N 2 1 264.457 3.515 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@]1(C)C1CCCCC1 ZINC001175643042 1121405953 /nfs/dbraw/zinc/40/59/53/1121405953.db2.gz JNXLGXLWAMHGCV-IAGOWNOFSA-N 2 1 264.457 3.515 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000549727381 1121429998 /nfs/dbraw/zinc/42/99/98/1121429998.db2.gz XPBDUAVTNDAWTE-KRWDZBQOSA-N 2 1 286.463 3.774 20 0 CHADMP CC(C)CC[NH+]1CCC([NH2+][C@H](C)c2cccc(O)c2)CC1 ZINC000894035683 1121457758 /nfs/dbraw/zinc/45/77/58/1121457758.db2.gz YUTGMLFWNWWIIZ-OAHLLOKOSA-N 2 1 290.451 3.553 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000316865188 1121479911 /nfs/dbraw/zinc/47/99/11/1121479911.db2.gz UFUOMJLIAQIWIT-CRAIPNDOSA-N 2 1 298.430 3.705 20 0 CHADMP C[C@@H](c1ccccc1F)[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000316937293 1121480456 /nfs/dbraw/zinc/48/04/56/1121480456.db2.gz OAMOGFNVVPHLIK-AWEZNQCLSA-N 2 1 298.405 3.664 20 0 CHADMP C[C@@H]1CCC[C@H](CC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000512581244 1121483013 /nfs/dbraw/zinc/48/30/13/1121483013.db2.gz GPYAEPRGLHSJAH-VQVIJEGRSA-N 2 1 278.484 3.760 20 0 CHADMP C[C@@H]1CCC[C@H](CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000512581244 1121483016 /nfs/dbraw/zinc/48/30/16/1121483016.db2.gz GPYAEPRGLHSJAH-VQVIJEGRSA-N 2 1 278.484 3.760 20 0 CHADMP C[C@@H]1CCC[C@H](CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000512581244 1121483021 /nfs/dbraw/zinc/48/30/21/1121483021.db2.gz GPYAEPRGLHSJAH-VQVIJEGRSA-N 2 1 278.484 3.760 20 0 CHADMP CCc1ccc([C@@H]2CC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)cc1 ZINC000433084817 1121559351 /nfs/dbraw/zinc/55/93/51/1121559351.db2.gz UPLGJZZESWMHFW-RTBURBONSA-N 2 1 286.463 3.523 20 0 CHADMP CCc1ccc([C@@H]2CC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC000433084817 1121559360 /nfs/dbraw/zinc/55/93/60/1121559360.db2.gz UPLGJZZESWMHFW-RTBURBONSA-N 2 1 286.463 3.523 20 0 CHADMP CCc1ccc([C@@H]2CC[NH+](CC[C@H]3CCC[N@H+]3C)C2)cc1 ZINC000433084817 1121559368 /nfs/dbraw/zinc/55/93/68/1121559368.db2.gz UPLGJZZESWMHFW-RTBURBONSA-N 2 1 286.463 3.523 20 0 CHADMP C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000682029868 1121571913 /nfs/dbraw/zinc/57/19/13/1121571913.db2.gz GRNFFNYENZUOPR-KGLIPLIRSA-N 2 1 292.389 3.525 20 0 CHADMP C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCC[NH+]1CCCCC1 ZINC000682029868 1121571918 /nfs/dbraw/zinc/57/19/18/1121571918.db2.gz GRNFFNYENZUOPR-KGLIPLIRSA-N 2 1 292.389 3.525 20 0 CHADMP CC1(C)CC([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000433166864 1121603159 /nfs/dbraw/zinc/60/31/59/1121603159.db2.gz HDWIODCGSNMIMW-CQSZACIVSA-N 2 1 292.492 3.738 20 0 CHADMP CC1(C)CC([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000433166864 1121603162 /nfs/dbraw/zinc/60/31/62/1121603162.db2.gz HDWIODCGSNMIMW-CQSZACIVSA-N 2 1 292.492 3.738 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(C)(C)SC ZINC000877528871 1121691111 /nfs/dbraw/zinc/69/11/11/1121691111.db2.gz MZDQYWPHJZPPEU-UHFFFAOYSA-N 2 1 297.512 3.689 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(C)(C)SC ZINC000877528871 1121691114 /nfs/dbraw/zinc/69/11/14/1121691114.db2.gz MZDQYWPHJZPPEU-UHFFFAOYSA-N 2 1 297.512 3.689 20 0 CHADMP c1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc(C[NH+]2CCCCC2)c1 ZINC001176874000 1121698293 /nfs/dbraw/zinc/69/82/93/1121698293.db2.gz CEHYILNTGNFKAF-BGYRXZFFSA-N 2 1 298.474 3.904 20 0 CHADMP CCC(CC)[C@H](C[NH2+][C@H]1CCC[C@H](SC)C1)[NH+](C)C ZINC001177209026 1121716060 /nfs/dbraw/zinc/71/60/60/1121716060.db2.gz FHQHOAJWGGYLSA-JYJNAYRXSA-N 2 1 286.529 3.617 20 0 CHADMP CC(C)[C@@H](C[NH2+][C@H]1CC[C@@H](C)SC1)[NH+]1CCC(C)CC1 ZINC001177257232 1121721654 /nfs/dbraw/zinc/72/16/54/1121721654.db2.gz SFQNQHJRUZPJCY-IXDOHACOSA-N 2 1 298.540 3.617 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC001177277672 1121722989 /nfs/dbraw/zinc/72/29/89/1121722989.db2.gz MZVXWEYEKOBEAQ-XWTMOSNGSA-N 2 1 278.484 3.831 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C ZINC001177277672 1121722996 /nfs/dbraw/zinc/72/29/96/1121722996.db2.gz MZVXWEYEKOBEAQ-XWTMOSNGSA-N 2 1 278.484 3.831 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCC(CC)(CC)CC2)C1 ZINC001177318797 1121724774 /nfs/dbraw/zinc/72/47/74/1121724774.db2.gz CCPFGAVRUAPLBG-HNNXBMFYSA-N 2 1 266.473 3.667 20 0 CHADMP Cc1csc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1Cl ZINC001206303019 1121728761 /nfs/dbraw/zinc/72/87/61/1121728761.db2.gz AIIOCFMHBLCZIB-AWEZNQCLSA-N 2 1 286.872 3.661 20 0 CHADMP Cc1ccc([C@@H](C)CC[N@H+]2CCCC3(CC[NH2+]CC3)C2)o1 ZINC001204727462 1121738175 /nfs/dbraw/zinc/73/81/75/1121738175.db2.gz ACOVGPMGBYIYNI-HNNXBMFYSA-N 2 1 290.451 3.547 20 0 CHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCC[C@@H]2C)C1 ZINC001177835778 1121752329 /nfs/dbraw/zinc/75/23/29/1121752329.db2.gz WSIHXRROELKICH-XHSDSOJGSA-N 2 1 266.473 3.665 20 0 CHADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCC[C@@H]2C)C1 ZINC001177835778 1121752334 /nfs/dbraw/zinc/75/23/34/1121752334.db2.gz WSIHXRROELKICH-XHSDSOJGSA-N 2 1 266.473 3.665 20 0 CHADMP CC1=CC[C@@H](CC[N@H+]2CCCC3(CC[NH2+]CC3)C2)C1(C)C ZINC001204727677 1121754723 /nfs/dbraw/zinc/75/47/23/1121754723.db2.gz JLTKRJYNCXHACU-KRWDZBQOSA-N 2 1 290.495 3.835 20 0 CHADMP CC[N@@H+](CCC1CC[NH+](C/C=C\Cl)CC1)CC(C)C ZINC000773733390 1121773586 /nfs/dbraw/zinc/77/35/86/1121773586.db2.gz ZNQXIXGMKQROIF-UITAMQMPSA-N 2 1 286.891 3.819 20 0 CHADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167939623 1121776369 /nfs/dbraw/zinc/77/63/69/1121776369.db2.gz MXVMBHRHFYIYCG-RUYXUALKSA-N 2 1 298.474 3.771 20 0 CHADMP C[C@@H](CC[NH2+]Cc1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC001178462740 1121788760 /nfs/dbraw/zinc/78/87/60/1121788760.db2.gz ICBMFHMSGNBTFN-AWEZNQCLSA-N 2 1 280.843 3.694 20 0 CHADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC001178584015 1121796573 /nfs/dbraw/zinc/79/65/73/1121796573.db2.gz CNNPEZFRBKQKHY-RYRKJORJSA-N 2 1 278.484 3.952 20 0 CHADMP C[C@H](CCc1c[nH]c2ccccc12)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000631588191 1129011179 /nfs/dbraw/zinc/01/11/79/1129011179.db2.gz SSHFQBMDPBTGOC-VYDXJSESSA-N 2 1 299.462 3.561 20 0 CHADMP C[C@H](CCc1c[nH]c2ccccc12)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000631588191 1129011184 /nfs/dbraw/zinc/01/11/84/1129011184.db2.gz SSHFQBMDPBTGOC-VYDXJSESSA-N 2 1 299.462 3.561 20 0 CHADMP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2cccc3sccc32)C1 ZINC001206369766 1121851306 /nfs/dbraw/zinc/85/13/06/1121851306.db2.gz HWMGLHLGGKXSET-INIZCTEOSA-N 2 1 292.423 3.554 20 0 CHADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2cccc3sccc32)C1 ZINC001206369766 1121851315 /nfs/dbraw/zinc/85/13/15/1121851315.db2.gz HWMGLHLGGKXSET-INIZCTEOSA-N 2 1 292.423 3.554 20 0 CHADMP CC1(C)CCC[C@@H](C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC001179873174 1121922443 /nfs/dbraw/zinc/92/24/43/1121922443.db2.gz FANLFAHEOHCCFK-SJORKVTESA-N 2 1 278.484 3.621 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2Oc2ccccc2)CC[C@@H]1[NH3+] ZINC000420293682 1121994182 /nfs/dbraw/zinc/99/41/82/1121994182.db2.gz ROXGDTVKYWIGON-QAPCUYQASA-N 2 1 296.414 3.648 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2Oc2ccccc2)CC[C@@H]1[NH3+] ZINC000420293682 1121994188 /nfs/dbraw/zinc/99/41/88/1121994188.db2.gz ROXGDTVKYWIGON-QAPCUYQASA-N 2 1 296.414 3.648 20 0 CHADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H](C)c1ccc(F)cc1 ZINC000420301687 1121998026 /nfs/dbraw/zinc/99/80/26/1121998026.db2.gz ITHNEMZXLAJHSK-GJZGRUSLSA-N 2 1 278.415 3.598 20 0 CHADMP Cc1ccccc1C1CC([N@@H+](CC[C@@H]2CC[NH2+]C2)C2CC2)C1 ZINC000420310999 1121998109 /nfs/dbraw/zinc/99/81/09/1121998109.db2.gz VPYMUVNBKMENBZ-MUYFXNHWSA-N 2 1 298.474 3.705 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420305968 1121998213 /nfs/dbraw/zinc/99/82/13/1121998213.db2.gz QFBITDJNPWBKPZ-SOUVJXGZSA-N 2 1 294.870 3.763 20 0 CHADMP Cc1ccc([C@H](C)[N@@H+](C)CC[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000420325009 1122001462 /nfs/dbraw/zinc/00/14/62/1122001462.db2.gz VXOBJRFZTRTADF-DLBZAZTESA-N 2 1 274.452 3.686 20 0 CHADMP c1ccc2cc(C[N@H+](CC[C@@H]3CC[NH2+]C3)C3CC3)ccc2c1 ZINC000420328314 1122001495 /nfs/dbraw/zinc/00/14/95/1122001495.db2.gz ZDSOFONVPHYNJR-INIZCTEOSA-N 2 1 294.442 3.804 20 0 CHADMP C[C@H]([NH3+])C[NH2+][C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000420376751 1122003996 /nfs/dbraw/zinc/00/39/96/1122003996.db2.gz RDDGBYXIMHJTQA-GUYCJALGSA-N 2 1 288.822 3.561 20 0 CHADMP C[C@H]([NH3+])C[NH2+][C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000420422763 1122006105 /nfs/dbraw/zinc/00/61/05/1122006105.db2.gz ZNVXOJFWPPEIIX-NHYWBVRUSA-N 2 1 266.816 3.508 20 0 CHADMP C[C@H](c1nccc2ccccc21)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC001180872860 1122021180 /nfs/dbraw/zinc/02/11/80/1122021180.db2.gz HLOITTMJKSGSFE-NVXWUHKLSA-N 2 1 297.446 3.712 20 0 CHADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC001181506605 1122059922 /nfs/dbraw/zinc/05/99/22/1122059922.db2.gz SKZCXJZWHWLCEN-RBUKOAKNSA-N 2 1 288.479 3.770 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@@H]1CCCC[C@H]1C ZINC001181586833 1122064281 /nfs/dbraw/zinc/06/42/81/1122064281.db2.gz DLVUMGCGSTXXLH-WCXIOVBPSA-N 2 1 266.473 3.665 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@@H]1CCCC[C@H]1C ZINC001181586833 1122064285 /nfs/dbraw/zinc/06/42/85/1122064285.db2.gz DLVUMGCGSTXXLH-WCXIOVBPSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000502252489 1122067748 /nfs/dbraw/zinc/06/77/48/1122067748.db2.gz KUALBHLPAWEKLV-AQNXPRMDSA-N 2 1 298.474 3.603 20 0 CHADMP C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000502252489 1122067756 /nfs/dbraw/zinc/06/77/56/1122067756.db2.gz KUALBHLPAWEKLV-AQNXPRMDSA-N 2 1 298.474 3.603 20 0 CHADMP C[C@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1ccoc1 ZINC000153256006 1129030069 /nfs/dbraw/zinc/03/00/69/1129030069.db2.gz UHYMOYJEYFQVEU-INIZCTEOSA-N 2 1 298.430 3.637 20 0 CHADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cccc(C3CC3)c2)CC1 ZINC000421391179 1122111322 /nfs/dbraw/zinc/11/13/22/1122111322.db2.gz NCDKQGQWZRRQNF-UHFFFAOYSA-N 2 1 284.447 3.624 20 0 CHADMP C[C@@H](C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC001182251102 1122124155 /nfs/dbraw/zinc/12/41/55/1122124155.db2.gz MEBWBBJNQKZXNX-HOTGVXAUSA-N 2 1 266.473 3.524 20 0 CHADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000502721297 1122141784 /nfs/dbraw/zinc/14/17/84/1122141784.db2.gz IPDYHIFIXGMJKG-DLBZAZTESA-N 2 1 292.854 3.961 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000502721297 1122141785 /nfs/dbraw/zinc/14/17/85/1122141785.db2.gz IPDYHIFIXGMJKG-DLBZAZTESA-N 2 1 292.854 3.961 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000502721297 1122141787 /nfs/dbraw/zinc/14/17/87/1122141787.db2.gz IPDYHIFIXGMJKG-DLBZAZTESA-N 2 1 292.854 3.961 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000502721297 1122141789 /nfs/dbraw/zinc/14/17/89/1122141789.db2.gz IPDYHIFIXGMJKG-DLBZAZTESA-N 2 1 292.854 3.961 20 0 CHADMP CC(C)C[C@@H]1CCCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000502855862 1122151647 /nfs/dbraw/zinc/15/16/47/1122151647.db2.gz LMTWWPHZYIJMHI-SJORKVTESA-N 2 1 266.473 3.761 20 0 CHADMP CC(C)C[C@@H]1CCCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000502855862 1122151651 /nfs/dbraw/zinc/15/16/51/1122151651.db2.gz LMTWWPHZYIJMHI-SJORKVTESA-N 2 1 266.473 3.761 20 0 CHADMP CC(C)C[C@@H]1CCCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000502855862 1122151654 /nfs/dbraw/zinc/15/16/54/1122151654.db2.gz LMTWWPHZYIJMHI-SJORKVTESA-N 2 1 266.473 3.761 20 0 CHADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@@H]1c1cccc(F)c1 ZINC000502913368 1122155511 /nfs/dbraw/zinc/15/55/11/1122155511.db2.gz IKIWQJAACRIKJY-JLSDUUJJSA-N 2 1 290.426 3.693 20 0 CHADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@@H]1c1cccc(F)c1 ZINC000502913368 1122155515 /nfs/dbraw/zinc/15/55/15/1122155515.db2.gz IKIWQJAACRIKJY-JLSDUUJJSA-N 2 1 290.426 3.693 20 0 CHADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)[C@@H]1c1cccc(F)c1 ZINC000502913368 1122155518 /nfs/dbraw/zinc/15/55/18/1122155518.db2.gz IKIWQJAACRIKJY-JLSDUUJJSA-N 2 1 290.426 3.693 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000271828170 1122178375 /nfs/dbraw/zinc/17/83/75/1122178375.db2.gz IWHYAEMFIVCEBE-SFHVURJKSA-N 2 1 283.419 3.631 20 0 CHADMP C[C@H](CC[N@H+]1CCCC[C@](C)(C[NH3+])C1)CC(C)(C)C ZINC001206540577 1122188299 /nfs/dbraw/zinc/18/82/99/1122188299.db2.gz CIFFJOXNLWGXKU-NVXWUHKLSA-N 2 1 268.489 3.900 20 0 CHADMP CCC(CC)CCC[N@@H+](C)CC1CC[NH+](CC)CC1 ZINC001182960825 1122197023 /nfs/dbraw/zinc/19/70/23/1122197023.db2.gz VJWHRNCPAYGIIF-UHFFFAOYSA-N 2 1 268.489 3.867 20 0 CHADMP C[C@]1([NH3+])CCC[N@@H+](C[C@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001205256137 1122207271 /nfs/dbraw/zinc/20/72/71/1122207271.db2.gz NOUAMGMVTNKNDC-OIISXLGYSA-N 2 1 292.854 3.647 20 0 CHADMP C[C@H]([NH2+]Cc1ccccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272732375 1122211485 /nfs/dbraw/zinc/21/14/85/1122211485.db2.gz ZZGAKUIVPSYQEY-GOEBONIOSA-N 2 1 290.426 3.568 20 0 CHADMP C[C@H]([NH2+]Cc1ccccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272732375 1122211490 /nfs/dbraw/zinc/21/14/90/1122211490.db2.gz ZZGAKUIVPSYQEY-GOEBONIOSA-N 2 1 290.426 3.568 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)c(C)o1 ZINC000273323401 1122227848 /nfs/dbraw/zinc/22/78/48/1122227848.db2.gz RLPUKHKXHIVIPF-CYBMUJFWSA-N 2 1 275.396 3.532 20 0 CHADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc3sccc32)CC1 ZINC001205288688 1122251125 /nfs/dbraw/zinc/25/11/25/1122251125.db2.gz NJAMWTZFWNRTNE-INIZCTEOSA-N 2 1 274.433 3.605 20 0 CHADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc3sccc32)CC1 ZINC001205288690 1122251630 /nfs/dbraw/zinc/25/16/30/1122251630.db2.gz NJAMWTZFWNRTNE-MRXNPFEDSA-N 2 1 274.433 3.605 20 0 CHADMP CC[N@H+](Cc1ccc(Cl)s1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414684629 1122266968 /nfs/dbraw/zinc/26/69/68/1122266968.db2.gz WLNNHFGSRMIBAA-VXGBXAGGSA-N 2 1 286.872 3.612 20 0 CHADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCC(c4ccccc4)CC3)[C@@H]2C1 ZINC001184387483 1122272521 /nfs/dbraw/zinc/27/25/21/1122272521.db2.gz LFGSNAGWLOPSSI-ROOBUULFSA-N 2 1 298.474 3.643 20 0 CHADMP CC1(C)CC[N@@H+](Cc2coc3ccccc23)CC(C)(C)[NH2+]1 ZINC001184374501 1122272821 /nfs/dbraw/zinc/27/28/21/1122272821.db2.gz NXSMBROKXSJHET-UHFFFAOYSA-N 2 1 286.419 3.785 20 0 CHADMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000503941528 1122280870 /nfs/dbraw/zinc/28/08/70/1122280870.db2.gz JRLARJRAIJLKSR-XLSIIYIISA-N 2 1 298.474 3.960 20 0 CHADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCC[N@H+](C)C(C)C ZINC000504927257 1122311608 /nfs/dbraw/zinc/31/16/08/1122311608.db2.gz OAWCXXWLDONYLX-WBVHZDCISA-N 2 1 274.452 3.863 20 0 CHADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccccc1-c1cccs1 ZINC001205326262 1122325729 /nfs/dbraw/zinc/32/57/29/1122325729.db2.gz XDEHSDMAPPROPA-CQSZACIVSA-N 2 1 286.444 3.599 20 0 CHADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccccc1-c1cccs1 ZINC001205326262 1122325736 /nfs/dbraw/zinc/32/57/36/1122325736.db2.gz XDEHSDMAPPROPA-CQSZACIVSA-N 2 1 286.444 3.599 20 0 CHADMP CC[NH+](CC)CCC[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000514141712 1122381871 /nfs/dbraw/zinc/38/18/71/1122381871.db2.gz JCJQVSGULRMCFN-UHFFFAOYSA-N 2 1 280.843 3.651 20 0 CHADMP CC[NH+](CC)C1CC[NH+](Cc2c(C)cccc2C)CC1 ZINC000154986778 1122402656 /nfs/dbraw/zinc/40/26/56/1122402656.db2.gz ROORCXYAGQVTAC-UHFFFAOYSA-N 2 1 274.452 3.610 20 0 CHADMP Cc1ccc2cc([C@@H](C)[NH2+]C[C@@H]3CCCN(C)C3)oc2c1 ZINC000515009362 1122470601 /nfs/dbraw/zinc/47/06/01/1122470601.db2.gz DSJQJHYSKQBDBY-CABCVRRESA-N 2 1 286.419 3.734 20 0 CHADMP Cc1ccc2cc([C@@H](C)[NH2+]C[C@@H]3CCC[N@H+](C)C3)oc2c1 ZINC000515009362 1122470607 /nfs/dbraw/zinc/47/06/07/1122470607.db2.gz DSJQJHYSKQBDBY-CABCVRRESA-N 2 1 286.419 3.734 20 0 CHADMP Cc1ccc2cc([C@@H](C)[NH2+]C[C@@H]3CCC[N@@H+](C)C3)oc2c1 ZINC000515009362 1122470611 /nfs/dbraw/zinc/47/06/11/1122470611.db2.gz DSJQJHYSKQBDBY-CABCVRRESA-N 2 1 286.419 3.734 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000435743207 1122486060 /nfs/dbraw/zinc/48/60/60/1122486060.db2.gz ZOAGBGAGYZHEFN-HLLBOEOZSA-N 2 1 264.457 3.562 20 0 CHADMP C[NH+](C)C1(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CCCC1 ZINC000436273772 1122533236 /nfs/dbraw/zinc/53/32/36/1122533236.db2.gz VBBGRLNNDCYRKI-MSOLQXFVSA-N 2 1 286.463 3.787 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000516038657 1122564625 /nfs/dbraw/zinc/56/46/25/1122564625.db2.gz WVUHWDXTIGIHKM-HZPDHXFCSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@@H]1CCC[C@@H](CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC001191119780 1122574572 /nfs/dbraw/zinc/57/45/72/1122574572.db2.gz AXKDDXSLBYNUGC-SQNIBIBYSA-N 2 1 278.484 3.621 20 0 CHADMP C[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)C1CCCCC1 ZINC001191443920 1122600289 /nfs/dbraw/zinc/60/02/89/1122600289.db2.gz HAIIESVOKOVPKM-WMZOPIPTSA-N 2 1 292.511 3.867 20 0 CHADMP C[C@@H](C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)C1CCCCC1 ZINC001191443920 1122600291 /nfs/dbraw/zinc/60/02/91/1122600291.db2.gz HAIIESVOKOVPKM-WMZOPIPTSA-N 2 1 292.511 3.867 20 0 CHADMP C[C@@H](C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)C1CCCCC1 ZINC001191443920 1122600293 /nfs/dbraw/zinc/60/02/93/1122600293.db2.gz HAIIESVOKOVPKM-WMZOPIPTSA-N 2 1 292.511 3.867 20 0 CHADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCCSc1ccccc1Cl ZINC000516659732 1122619084 /nfs/dbraw/zinc/61/90/84/1122619084.db2.gz CJCANLLJGJSKOZ-STQMWFEESA-N 2 1 298.883 3.634 20 0 CHADMP Clc1ccc(Cl)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000261943003 1122629498 /nfs/dbraw/zinc/62/94/98/1122629498.db2.gz DYZJUZGVSPHXDF-UHFFFAOYSA-N 2 1 299.245 3.569 20 0 CHADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc3ccsc3c2)CC1 ZINC001205580221 1122632102 /nfs/dbraw/zinc/63/21/02/1122632102.db2.gz ROKSCLAHZADBHR-MRXNPFEDSA-N 2 1 292.423 3.554 20 0 CHADMP CCc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)ccc1Cl ZINC001205592829 1122639725 /nfs/dbraw/zinc/63/97/25/1122639725.db2.gz ZJYBMQWXGOYSQO-INIZCTEOSA-N 2 1 298.833 3.555 20 0 CHADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(-c2ccccc2)o1 ZINC000425935552 1122663822 /nfs/dbraw/zinc/66/38/22/1122663822.db2.gz IXTRYYHISJCDKV-LSDHHAIUSA-N 2 1 286.419 3.795 20 0 CHADMP CCCCc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)s1 ZINC001205617492 1122668133 /nfs/dbraw/zinc/66/81/33/1122668133.db2.gz KIXNFNFFRUBWSO-HUUCEWRRSA-N 2 1 294.508 3.898 20 0 CHADMP CCSc1ccccc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC001193392861 1122688438 /nfs/dbraw/zinc/68/84/38/1122688438.db2.gz NQAGDWWFKJCICQ-MRXNPFEDSA-N 2 1 292.492 3.715 20 0 CHADMP CCSc1ccccc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC001193392861 1122688440 /nfs/dbraw/zinc/68/84/40/1122688440.db2.gz NQAGDWWFKJCICQ-MRXNPFEDSA-N 2 1 292.492 3.715 20 0 CHADMP CC(C)c1ccccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205637439 1122699345 /nfs/dbraw/zinc/69/93/45/1122699345.db2.gz HDTYEZROCQFPEB-CVEARBPZSA-N 2 1 274.452 3.617 20 0 CHADMP CC/C=C/CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001194268741 1122763551 /nfs/dbraw/zinc/76/35/51/1122763551.db2.gz JESFNRXPEKZCMG-YADGQWAMSA-N 2 1 298.474 3.941 20 0 CHADMP CC/C=C/CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001194268741 1122763557 /nfs/dbraw/zinc/76/35/57/1122763557.db2.gz JESFNRXPEKZCMG-YADGQWAMSA-N 2 1 298.474 3.941 20 0 CHADMP CC/C=C/CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001194268741 1122763563 /nfs/dbraw/zinc/76/35/63/1122763563.db2.gz JESFNRXPEKZCMG-YADGQWAMSA-N 2 1 298.474 3.941 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc3ccccc3[nH]2)C1 ZINC000775626772 1122830467 /nfs/dbraw/zinc/83/04/67/1122830467.db2.gz JNDOUINVPDDDOB-HOTGVXAUSA-N 2 1 299.462 3.939 20 0 CHADMP CC[C@H](C)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167966599 1122838284 /nfs/dbraw/zinc/83/82/84/1122838284.db2.gz XFGUAJSRWFLBBU-COSYGPSOSA-N 2 1 278.484 3.806 20 0 CHADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccncc1 ZINC001167968328 1122849222 /nfs/dbraw/zinc/84/92/22/1122849222.db2.gz PJIFBJVMOMSISN-IPQPSQTFSA-N 2 1 299.462 3.528 20 0 CHADMP CCC[N@@H+](CC1CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167981772 1122897454 /nfs/dbraw/zinc/89/74/54/1122897454.db2.gz JGKIOSDWAWYNGI-JWTNVVGKSA-N 2 1 276.468 3.514 20 0 CHADMP CCC[NH+](CC1CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981772 1122897458 /nfs/dbraw/zinc/89/74/58/1122897458.db2.gz JGKIOSDWAWYNGI-JWTNVVGKSA-N 2 1 276.468 3.514 20 0 CHADMP CCC[NH+](CC1CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981772 1122897462 /nfs/dbraw/zinc/89/74/62/1122897462.db2.gz JGKIOSDWAWYNGI-JWTNVVGKSA-N 2 1 276.468 3.514 20 0 CHADMP c1ccc(-c2cccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)c2)cc1 ZINC000427109794 1122945543 /nfs/dbraw/zinc/94/55/43/1122945543.db2.gz RZSALAPFMASQGM-PMACEKPBSA-N 2 1 292.426 3.537 20 0 CHADMP Cc1ccc([C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C2CCC2)cc1 ZINC000427525791 1122988654 /nfs/dbraw/zinc/98/86/54/1122988654.db2.gz AJJLZUQGYUVGNQ-IBGZPJMESA-N 2 1 284.447 3.688 20 0 CHADMP F[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001198479804 1122995186 /nfs/dbraw/zinc/99/51/86/1122995186.db2.gz UBNLWSBNBYEYMP-SFHVURJKSA-N 2 1 290.426 3.606 20 0 CHADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC001199248682 1123024810 /nfs/dbraw/zinc/02/48/10/1123024810.db2.gz WMSKYMZZBOFDRM-IRXDYDNUSA-N 2 1 298.515 3.539 20 0 CHADMP C[C@@H]1CCC[C@@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001199335845 1123027802 /nfs/dbraw/zinc/02/78/02/1123027802.db2.gz DFWYIWSTEGJPCP-BRWVUGGUSA-N 2 1 266.473 3.809 20 0 CHADMP C[C@H](C[NH2+]C[C@@H](C1CC1)[NH+](C)C)CC1CCCCC1 ZINC001199420553 1123028739 /nfs/dbraw/zinc/02/87/39/1123028739.db2.gz NUUDRYJYPAKSBV-YOEHRIQHSA-N 2 1 266.473 3.523 20 0 CHADMP CCC(C)(C)CC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000441313399 1123076693 /nfs/dbraw/zinc/07/66/93/1123076693.db2.gz TVLKFRMIEABFBC-UHFFFAOYSA-N 2 1 277.456 3.501 20 0 CHADMP CC[C@@H](c1ccccc1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441342231 1123080445 /nfs/dbraw/zinc/08/04/45/1123080445.db2.gz YDGIDQNXYXRKFQ-MSOLQXFVSA-N 2 1 274.452 3.944 20 0 CHADMP CC[C@@H](c1ccccc1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441342231 1123080448 /nfs/dbraw/zinc/08/04/48/1123080448.db2.gz YDGIDQNXYXRKFQ-MSOLQXFVSA-N 2 1 274.452 3.944 20 0 CHADMP CC[C@@H](c1ccccc1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441342231 1123080449 /nfs/dbraw/zinc/08/04/49/1123080449.db2.gz YDGIDQNXYXRKFQ-MSOLQXFVSA-N 2 1 274.452 3.944 20 0 CHADMP Cc1cc(C)cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000441371939 1123081691 /nfs/dbraw/zinc/08/16/91/1123081691.db2.gz NSBNTAFDDBINMT-SFHVURJKSA-N 2 1 274.452 3.610 20 0 CHADMP Cc1cc(C)cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000441371939 1123081696 /nfs/dbraw/zinc/08/16/96/1123081696.db2.gz NSBNTAFDDBINMT-SFHVURJKSA-N 2 1 274.452 3.610 20 0 CHADMP Cc1cc(C)cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000441371939 1123081701 /nfs/dbraw/zinc/08/17/01/1123081701.db2.gz NSBNTAFDDBINMT-SFHVURJKSA-N 2 1 274.452 3.610 20 0 CHADMP Cc1c(C)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)ccc1Cl ZINC001205915252 1123085703 /nfs/dbraw/zinc/08/57/03/1123085703.db2.gz OYJWFACVWNSUNK-KBPBESRZSA-N 2 1 280.843 3.516 20 0 CHADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC001205915238 1123087061 /nfs/dbraw/zinc/08/70/61/1123087061.db2.gz OXIFHRMDRZMHKQ-RDTXWAMCSA-N 2 1 272.436 3.513 20 0 CHADMP CC(C)(C)C[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001201442896 1123105729 /nfs/dbraw/zinc/10/57/29/1123105729.db2.gz LRFWTIOQNBLKSY-UHFFFAOYSA-N 2 1 286.463 3.555 20 0 CHADMP CC(C)(C)C[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001201442896 1123105731 /nfs/dbraw/zinc/10/57/31/1123105731.db2.gz LRFWTIOQNBLKSY-UHFFFAOYSA-N 2 1 286.463 3.555 20 0 CHADMP CC[C@H](C)C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001201509790 1123113134 /nfs/dbraw/zinc/11/31/34/1123113134.db2.gz VGWWFYZVMSUMOE-INIZCTEOSA-N 2 1 290.451 3.614 20 0 CHADMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1F ZINC001201559504 1123123930 /nfs/dbraw/zinc/12/39/30/1123123930.db2.gz ZDJSUMROPLMPRL-KRWDZBQOSA-N 2 1 292.442 3.592 20 0 CHADMP CCCC[C@@H](CC)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001201565182 1123125027 /nfs/dbraw/zinc/12/50/27/1123125027.db2.gz HKUDEVOYANETBA-MRXNPFEDSA-N 2 1 254.462 3.621 20 0 CHADMP CC[NH+]1CCC2(CCC[N@@H+](Cc3ccc(C)cc3)C2)CC1 ZINC001201581268 1123127381 /nfs/dbraw/zinc/12/73/81/1123127381.db2.gz PVYLCGYLKZLFDE-UHFFFAOYSA-N 2 1 286.463 3.693 20 0 CHADMP Cc1c(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)ccc(F)c1F ZINC001206598767 1129101508 /nfs/dbraw/zinc/10/15/08/1129101508.db2.gz MLAFVPDQFFMQRJ-HNNXBMFYSA-N 2 1 296.405 3.626 20 0 CHADMP CCCCCC[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001201754153 1123146387 /nfs/dbraw/zinc/14/63/87/1123146387.db2.gz OQXUEUNKCCJUTP-IRXDYDNUSA-N 2 1 266.473 3.906 20 0 CHADMP CCCCCC[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001201754153 1123146389 /nfs/dbraw/zinc/14/63/89/1123146389.db2.gz OQXUEUNKCCJUTP-IRXDYDNUSA-N 2 1 266.473 3.906 20 0 CHADMP CCCCCC[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001201754153 1123146390 /nfs/dbraw/zinc/14/63/90/1123146390.db2.gz OQXUEUNKCCJUTP-IRXDYDNUSA-N 2 1 266.473 3.906 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001201981717 1123160616 /nfs/dbraw/zinc/16/06/16/1123160616.db2.gz QXCSBLZVSZJDJW-RCCFBDPRSA-N 2 1 278.484 3.785 20 0 CHADMP CC(C)(C)CC[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001202073797 1123175582 /nfs/dbraw/zinc/17/55/82/1123175582.db2.gz VWCMLLMCXBSIDI-UHFFFAOYSA-N 2 1 278.484 3.763 20 0 CHADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](CC4CCCC4)C3)C2)cc1 ZINC001202166388 1123180715 /nfs/dbraw/zinc/18/07/15/1123180715.db2.gz CHRZQRVJGPDZOO-HXUWFJFHSA-N 2 1 298.474 3.775 20 0 CHADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](CC4CCCC4)C3)C2)cc1 ZINC001202166388 1123180716 /nfs/dbraw/zinc/18/07/16/1123180716.db2.gz CHRZQRVJGPDZOO-HXUWFJFHSA-N 2 1 298.474 3.775 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](CC4CCCC4)C3)C2)cc1 ZINC001202166388 1123180719 /nfs/dbraw/zinc/18/07/19/1123180719.db2.gz CHRZQRVJGPDZOO-HXUWFJFHSA-N 2 1 298.474 3.775 20 0 CHADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000311439696 1129109374 /nfs/dbraw/zinc/10/93/74/1129109374.db2.gz OZYOUBWKWJQTBX-ZIAGYGMSSA-N 2 1 282.859 3.589 20 0 CHADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000311439696 1129109375 /nfs/dbraw/zinc/10/93/75/1129109375.db2.gz OZYOUBWKWJQTBX-ZIAGYGMSSA-N 2 1 282.859 3.589 20 0 CHADMP CSc1ccccc1[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000442642169 1123332039 /nfs/dbraw/zinc/33/20/39/1123332039.db2.gz DWJARSURPGUELE-OAHLLOKOSA-N 2 1 292.492 3.935 20 0 CHADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(C(F)F)CC1 ZINC000442775888 1123337343 /nfs/dbraw/zinc/33/73/43/1123337343.db2.gz CKYZPKKNDZWQTN-ZUJMUWTESA-N 2 1 288.426 3.520 20 0 CHADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(C(F)F)CC1 ZINC000442775888 1123337346 /nfs/dbraw/zinc/33/73/46/1123337346.db2.gz CKYZPKKNDZWQTN-ZUJMUWTESA-N 2 1 288.426 3.520 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1csc(Cl)c1 ZINC000191102515 1123375291 /nfs/dbraw/zinc/37/52/91/1123375291.db2.gz XOUQIBAWHVGQRG-LLVKDONJSA-N 2 1 274.861 3.784 20 0 CHADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CCC13CCCC3)C2 ZINC000474066773 1123408502 /nfs/dbraw/zinc/40/85/02/1123408502.db2.gz QEWBGJKMJPUXLT-LJQANCHMSA-N 2 1 298.474 3.747 20 0 CHADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CCC13CCCC3)C2 ZINC000474066773 1123408503 /nfs/dbraw/zinc/40/85/03/1123408503.db2.gz QEWBGJKMJPUXLT-LJQANCHMSA-N 2 1 298.474 3.747 20 0 CHADMP Clc1csc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000853092682 1123424010 /nfs/dbraw/zinc/42/40/10/1123424010.db2.gz IBHIIGZTUKWKAF-CYBMUJFWSA-N 2 1 298.883 3.613 20 0 CHADMP C[C@H](CSC(C)(C)C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853239625 1123429351 /nfs/dbraw/zinc/42/93/51/1123429351.db2.gz ITIVZORDYWKPIR-GDBMZVCRSA-N 2 1 298.540 3.618 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](CC(C)C)C2)C1 ZINC001648960393 1123447069 /nfs/dbraw/zinc/44/70/69/1123447069.db2.gz OOEAZWAOQRXKFM-KSZLIROESA-N 2 1 280.500 3.913 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCC(F)(F)F)C[C@@H]1C ZINC000443621213 1123448555 /nfs/dbraw/zinc/44/85/55/1123448555.db2.gz LJTWQLAQBFZMHX-STQMWFEESA-N 2 1 280.378 3.524 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCC(F)(F)F)C[C@@H]1C ZINC000443621213 1123448558 /nfs/dbraw/zinc/44/85/58/1123448558.db2.gz LJTWQLAQBFZMHX-STQMWFEESA-N 2 1 280.378 3.524 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCC(F)(F)F)C[C@@H]1C ZINC000443621213 1123448559 /nfs/dbraw/zinc/44/85/59/1123448559.db2.gz LJTWQLAQBFZMHX-STQMWFEESA-N 2 1 280.378 3.524 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2C(C)=CCC[C@H]2C)C1 ZINC000443641904 1123456364 /nfs/dbraw/zinc/45/63/64/1123456364.db2.gz MVOIKYBHHXPUCQ-SQNIBIBYSA-N 2 1 278.484 3.643 20 0 CHADMP CC(C)[C@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000474151244 1123471551 /nfs/dbraw/zinc/47/15/51/1123471551.db2.gz DKUAAXURSGKIHD-HKUYNNGSSA-N 2 1 288.479 3.700 20 0 CHADMP CC(C)[C@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000474151244 1123471552 /nfs/dbraw/zinc/47/15/52/1123471552.db2.gz DKUAAXURSGKIHD-HKUYNNGSSA-N 2 1 288.479 3.700 20 0 CHADMP C[N@H+](CC1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481252 1123488333 /nfs/dbraw/zinc/48/83/33/1123488333.db2.gz ZPQNDHJULNURIC-UHFFFAOYSA-N 2 1 286.463 3.773 20 0 CHADMP C[N@@H+](CC1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481252 1123488336 /nfs/dbraw/zinc/48/83/36/1123488336.db2.gz ZPQNDHJULNURIC-UHFFFAOYSA-N 2 1 286.463 3.773 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2c(F)cccc2CC)C1 ZINC000474262986 1123497148 /nfs/dbraw/zinc/49/71/48/1123497148.db2.gz DXNFTMJCIXQFNJ-HNNXBMFYSA-N 2 1 292.442 3.552 20 0 CHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(F)cccc2CC)C1 ZINC000474262986 1123497150 /nfs/dbraw/zinc/49/71/50/1123497150.db2.gz DXNFTMJCIXQFNJ-HNNXBMFYSA-N 2 1 292.442 3.552 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(F)cccc2CC)C1 ZINC000474262986 1123497152 /nfs/dbraw/zinc/49/71/52/1123497152.db2.gz DXNFTMJCIXQFNJ-HNNXBMFYSA-N 2 1 292.442 3.552 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(F)cccc2CC)C1 ZINC000474262986 1123497153 /nfs/dbraw/zinc/49/71/53/1123497153.db2.gz DXNFTMJCIXQFNJ-HNNXBMFYSA-N 2 1 292.442 3.552 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(F)cccc2CC)C1 ZINC000474262986 1123497154 /nfs/dbraw/zinc/49/71/54/1123497154.db2.gz DXNFTMJCIXQFNJ-HNNXBMFYSA-N 2 1 292.442 3.552 20 0 CHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)C1CCCC1 ZINC000474467372 1123535650 /nfs/dbraw/zinc/53/56/50/1123535650.db2.gz BXZHCGSGKJFAGK-MRXNPFEDSA-N 2 1 286.463 3.603 20 0 CHADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)C1CCCC1 ZINC000474467372 1123535654 /nfs/dbraw/zinc/53/56/54/1123535654.db2.gz BXZHCGSGKJFAGK-MRXNPFEDSA-N 2 1 286.463 3.603 20 0 CHADMP CC[N@H+](CC[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1)C(C)C ZINC000474597394 1123554764 /nfs/dbraw/zinc/55/47/64/1123554764.db2.gz ATXRJWQTKNKDLH-CVEARBPZSA-N 2 1 292.467 3.507 20 0 CHADMP CC[N@@H+](CC[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1)C(C)C ZINC000474597394 1123554768 /nfs/dbraw/zinc/55/47/68/1123554768.db2.gz ATXRJWQTKNKDLH-CVEARBPZSA-N 2 1 292.467 3.507 20 0 CHADMP C[C@@H]1C[C@@H]([NH+]2CCCCC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039179 1123559103 /nfs/dbraw/zinc/55/91/03/1123559103.db2.gz BRDJALROAXHPOR-IZZQQSIFSA-N 2 1 286.463 3.914 20 0 CHADMP C[C@@H]1C[C@@H]([NH+]2CCCCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039179 1123559108 /nfs/dbraw/zinc/55/91/08/1123559108.db2.gz BRDJALROAXHPOR-IZZQQSIFSA-N 2 1 286.463 3.914 20 0 CHADMP Cc1cc(C)c(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(C)c1 ZINC000429533153 1123563846 /nfs/dbraw/zinc/56/38/46/1123563846.db2.gz ZICLNDPGPQVAAD-QGZVFWFLSA-N 2 1 274.452 3.528 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000429538509 1123570534 /nfs/dbraw/zinc/57/05/34/1123570534.db2.gz JJHGNOPGLSNOHM-SFHVURJKSA-N 2 1 288.479 3.900 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C1CCCC1 ZINC000453350918 1123575066 /nfs/dbraw/zinc/57/50/66/1123575066.db2.gz JZTUBBJEGBENMV-LZQZEXGQSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C1CCCC1 ZINC000453350918 1123575072 /nfs/dbraw/zinc/57/50/72/1123575072.db2.gz JZTUBBJEGBENMV-LZQZEXGQSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C1CCCC1 ZINC000453399447 1123581275 /nfs/dbraw/zinc/58/12/75/1123581275.db2.gz JZTUBBJEGBENMV-IPELMVKDSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C1CCCC1 ZINC000453399447 1123581280 /nfs/dbraw/zinc/58/12/80/1123581280.db2.gz JZTUBBJEGBENMV-IPELMVKDSA-N 2 1 286.463 3.990 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC2CCC(C)(C)CC2)CC1 ZINC000429541297 1123595230 /nfs/dbraw/zinc/59/52/30/1123595230.db2.gz OHXJNGZJELDBDN-MRXNPFEDSA-N 2 1 266.473 3.619 20 0 CHADMP CC[NH+]1CCC([N@H+](C)Cc2cc3ccccc3s2)CC1 ZINC000125218318 1123595414 /nfs/dbraw/zinc/59/54/14/1123595414.db2.gz HVNPZKBVWHGSOU-UHFFFAOYSA-N 2 1 288.460 3.817 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)Cc2cc3ccccc3s2)CC1 ZINC000125218318 1123595416 /nfs/dbraw/zinc/59/54/16/1123595416.db2.gz HVNPZKBVWHGSOU-UHFFFAOYSA-N 2 1 288.460 3.817 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]C2CCCCCCC2)CC1(C)C ZINC000858086443 1123630238 /nfs/dbraw/zinc/63/02/38/1123630238.db2.gz IJHMYGHWDGCLGI-OAHLLOKOSA-N 2 1 252.446 3.562 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3ccccc3c2)CC1(C)C ZINC000858110722 1123631565 /nfs/dbraw/zinc/63/15/65/1123631565.db2.gz ZBXPDRPMXDEVKM-SFHVURJKSA-N 2 1 282.431 3.802 20 0 CHADMP CC[N@@H+](Cc1cc(-n2ccnc2)cs1)Cc1ccccc1 ZINC000346156079 1123668525 /nfs/dbraw/zinc/66/85/25/1123668525.db2.gz AFDICMIHLVHSHY-UHFFFAOYSA-N 2 1 297.427 3.956 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000346269099 1123677462 /nfs/dbraw/zinc/67/74/62/1123677462.db2.gz BUWHWYHUIKVNBZ-GOSISDBHSA-N 2 1 283.419 3.713 20 0 CHADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C(F)F)cc1 ZINC000281273637 1123692490 /nfs/dbraw/zinc/69/24/90/1123692490.db2.gz NXNFONXKGOENTJ-UHFFFAOYSA-N 2 1 282.378 3.542 20 0 CHADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C(F)F)cc1 ZINC000281273637 1123692493 /nfs/dbraw/zinc/69/24/93/1123692493.db2.gz NXNFONXKGOENTJ-UHFFFAOYSA-N 2 1 282.378 3.542 20 0 CHADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000346694002 1123706748 /nfs/dbraw/zinc/70/67/48/1123706748.db2.gz RBFYYLJRRZIMIO-ZFWWWQNUSA-N 2 1 286.444 3.584 20 0 CHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(-c4ccccc4)cs3)C[C@@H]12 ZINC000346826982 1123724244 /nfs/dbraw/zinc/72/42/44/1123724244.db2.gz FMBMURKANLASKO-ZTFGCOKTSA-N 2 1 298.455 3.584 20 0 CHADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000444220086 1123772882 /nfs/dbraw/zinc/77/28/82/1123772882.db2.gz ZEAMFYYTYBYMQG-MSOLQXFVSA-N 2 1 286.463 3.864 20 0 CHADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3CC[C@@H]2C3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168063816 1123858598 /nfs/dbraw/zinc/85/85/98/1123858598.db2.gz NMSUTJXMXKRNOQ-ZRSLWSEBSA-N 2 1 298.474 3.912 20 0 CHADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3CC[C@@H]2C3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168063816 1123858603 /nfs/dbraw/zinc/85/86/03/1123858603.db2.gz NMSUTJXMXKRNOQ-ZRSLWSEBSA-N 2 1 298.474 3.912 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CC[C@@H]2C3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168063816 1123858606 /nfs/dbraw/zinc/85/86/06/1123858606.db2.gz NMSUTJXMXKRNOQ-ZRSLWSEBSA-N 2 1 298.474 3.912 20 0 CHADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3CC[C@@H]2C3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168063816 1123858609 /nfs/dbraw/zinc/85/86/09/1123858609.db2.gz NMSUTJXMXKRNOQ-ZRSLWSEBSA-N 2 1 298.474 3.912 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@H](C)SC2)c1 ZINC000655716925 1123875074 /nfs/dbraw/zinc/87/50/74/1123875074.db2.gz QFFWBXIPCLOSCG-WMLDXEAASA-N 2 1 292.492 3.512 20 0 CHADMP C[C@@H](CC[NH+](C)C)Nc1cc[nH+]c2ccc(Cl)cc12 ZINC000301363857 1123894507 /nfs/dbraw/zinc/89/45/07/1123894507.db2.gz MVDGWZSFTCDYJL-NSHDSACASA-N 2 1 277.799 3.640 20 0 CHADMP CC(C)[NH+](CCNc1cc[nH+]c2ccsc21)C(C)C ZINC000301380858 1123895758 /nfs/dbraw/zinc/89/57/58/1123895758.db2.gz YYZNQQYVWQRZPS-UHFFFAOYSA-N 2 1 277.437 3.827 20 0 CHADMP CN(CC[C@@H]1CCCC[N@@H+]1C)c1cc[nH+]c2ccsc21 ZINC000301444125 1123901274 /nfs/dbraw/zinc/90/12/74/1123901274.db2.gz JLOJPHIUIQDYEB-ZDUSSCGKSA-N 2 1 289.448 3.607 20 0 CHADMP CN(CC[C@@H]1CCCC[N@H+]1C)c1cc[nH+]c2ccsc21 ZINC000301444125 1123901276 /nfs/dbraw/zinc/90/12/76/1123901276.db2.gz JLOJPHIUIQDYEB-ZDUSSCGKSA-N 2 1 289.448 3.607 20 0 CHADMP C[NH+](C)[C@H](CNc1cc[nH+]cc1Cl)c1ccc(F)cc1 ZINC000301560358 1123911843 /nfs/dbraw/zinc/91/18/43/1123911843.db2.gz IGGWPXSSRGAAJC-OAHLLOKOSA-N 2 1 293.773 3.589 20 0 CHADMP Cc1cc[nH+]c(NCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000301664089 1123922710 /nfs/dbraw/zinc/92/27/10/1123922710.db2.gz YYMDLBOGACLPRM-UHFFFAOYSA-N 2 1 283.419 3.842 20 0 CHADMP Cc1cc[nH+]c(NCc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000301664089 1123922713 /nfs/dbraw/zinc/92/27/13/1123922713.db2.gz YYMDLBOGACLPRM-UHFFFAOYSA-N 2 1 283.419 3.842 20 0 CHADMP Clc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339067111 1123923224 /nfs/dbraw/zinc/92/32/24/1123923224.db2.gz JAUZFFQKXCTQSP-IGCXYCKISA-N 2 1 290.838 3.544 20 0 CHADMP C[NH+](C)C[C@H]1CC[N@@H+](CCCCc2cccc(Cl)c2)C1 ZINC000621257996 1129153856 /nfs/dbraw/zinc/15/38/56/1129153856.db2.gz UFRVTWYBKYEVGU-MRXNPFEDSA-N 2 1 294.870 3.546 20 0 CHADMP Cc1[nH+]ccn1CCCN(C)c1cc(C)[nH+]c2ccccc21 ZINC000301770816 1123931788 /nfs/dbraw/zinc/93/17/88/1123931788.db2.gz JNPGWRLUYLQSBN-UHFFFAOYSA-N 2 1 294.402 3.575 20 0 CHADMP Cc1[nH+]c2ccccc2c(NCC[N@H+](C)C(C)C)c1C ZINC000302086684 1123954387 /nfs/dbraw/zinc/95/43/87/1123954387.db2.gz NRJJTQWNVZLCRA-UHFFFAOYSA-N 2 1 271.408 3.604 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CCN(c2c(C)c(C)[nH+]c3ccccc32)C1 ZINC000302094468 1123955085 /nfs/dbraw/zinc/95/50/85/1123955085.db2.gz RDDANGFNBGGCGY-INIZCTEOSA-N 2 1 297.446 3.630 20 0 CHADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000794836408 1123971519 /nfs/dbraw/zinc/97/15/19/1123971519.db2.gz OBPVBOWPMPZLCK-FAFZWHIHSA-N 2 1 284.447 3.589 20 0 CHADMP Cc1c(Cl)cccc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000865434989 1123984048 /nfs/dbraw/zinc/98/40/48/1123984048.db2.gz XCPNGPFJEFSUSI-UHFFFAOYSA-N 2 1 292.854 3.755 20 0 CHADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000866706682 1124094632 /nfs/dbraw/zinc/09/46/32/1124094632.db2.gz JODUDDRSKWKZNY-QGZVFWFLSA-N 2 1 296.405 3.821 20 0 CHADMP CCc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000445809180 1124102135 /nfs/dbraw/zinc/10/21/35/1124102135.db2.gz FWWGLDQNEZGJQD-AZUAARDMSA-N 2 1 298.474 3.698 20 0 CHADMP CCc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000445809180 1124102136 /nfs/dbraw/zinc/10/21/36/1124102136.db2.gz FWWGLDQNEZGJQD-AZUAARDMSA-N 2 1 298.474 3.698 20 0 CHADMP CCc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000445809180 1124102139 /nfs/dbraw/zinc/10/21/39/1124102139.db2.gz FWWGLDQNEZGJQD-AZUAARDMSA-N 2 1 298.474 3.698 20 0 CHADMP C[N@H+](C/C=C\c1ccc(Cl)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000508568626 1124115533 /nfs/dbraw/zinc/11/55/33/1124115533.db2.gz KWFHHMHNTFYKSM-OICCZTGUSA-N 2 1 292.854 3.627 20 0 CHADMP C[N@@H+](C/C=C\c1ccc(Cl)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000508568626 1124115536 /nfs/dbraw/zinc/11/55/36/1124115536.db2.gz KWFHHMHNTFYKSM-OICCZTGUSA-N 2 1 292.854 3.627 20 0 CHADMP C[NH+](C/C=C\c1ccc(Cl)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000508568626 1124115538 /nfs/dbraw/zinc/11/55/38/1124115538.db2.gz KWFHHMHNTFYKSM-OICCZTGUSA-N 2 1 292.854 3.627 20 0 CHADMP C[NH+](C/C=C\c1ccc(Cl)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000508568626 1124115540 /nfs/dbraw/zinc/11/55/40/1124115540.db2.gz KWFHHMHNTFYKSM-OICCZTGUSA-N 2 1 292.854 3.627 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1Cl ZINC000447734714 1124516032 /nfs/dbraw/zinc/51/60/32/1124516032.db2.gz YNVAFEWLKDZFFA-DOTOQJQBSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000447734714 1124516043 /nfs/dbraw/zinc/51/60/43/1124516043.db2.gz YNVAFEWLKDZFFA-DOTOQJQBSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1Cl ZINC000447734714 1124516051 /nfs/dbraw/zinc/51/60/51/1124516051.db2.gz YNVAFEWLKDZFFA-DOTOQJQBSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1Cl ZINC000447734714 1124516059 /nfs/dbraw/zinc/51/60/59/1124516059.db2.gz YNVAFEWLKDZFFA-DOTOQJQBSA-N 2 1 292.854 3.565 20 0 CHADMP CC[N@H+]1CCC[C@@H](C[NH2+]CC[C@@H](C)c2ccccc2)C1 ZINC000447820971 1124528005 /nfs/dbraw/zinc/52/80/05/1124528005.db2.gz IUUAGFILIKDIEB-SJORKVTESA-N 2 1 274.452 3.502 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C1CC2(CCC2)C1 ZINC000448077000 1124560936 /nfs/dbraw/zinc/56/09/36/1124560936.db2.gz LBMMTLFIPRPUTM-HNNXBMFYSA-N 2 1 264.457 3.563 20 0 CHADMP Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623392442 1124631063 /nfs/dbraw/zinc/63/10/63/1124631063.db2.gz BYEFRYFHQCOSOD-MRXNPFEDSA-N 2 1 288.479 3.735 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CCCC[C@H]1C ZINC000449175895 1124659876 /nfs/dbraw/zinc/65/98/76/1124659876.db2.gz PCCCURDHPMDKLY-DEFDSWJHSA-N 2 1 278.484 3.806 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CCCC[C@H]1C ZINC000449175895 1124659881 /nfs/dbraw/zinc/65/98/81/1124659881.db2.gz PCCCURDHPMDKLY-DEFDSWJHSA-N 2 1 278.484 3.806 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CCCC[C@H]1C ZINC000449175898 1124660627 /nfs/dbraw/zinc/66/06/27/1124660627.db2.gz PCCCURDHPMDKLY-WVDLQDBSSA-N 2 1 278.484 3.806 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CCCC[C@H]1C ZINC000449175898 1124660629 /nfs/dbraw/zinc/66/06/29/1124660629.db2.gz PCCCURDHPMDKLY-WVDLQDBSSA-N 2 1 278.484 3.806 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@@H]1CCCC[C@H]1C ZINC000449165731 1124662845 /nfs/dbraw/zinc/66/28/45/1124662845.db2.gz XKRFGFPLCBTNGY-BFYDXBDKSA-N 2 1 277.456 3.776 20 0 CHADMP Cc1ccc(C[N@@H+](CCCn2ccnc2)C(C)(C)C)cc1 ZINC000528595269 1124700368 /nfs/dbraw/zinc/70/03/68/1124700368.db2.gz UYQJDOZOJWTHCG-UHFFFAOYSA-N 2 1 285.435 3.882 20 0 CHADMP C[NH+]1CCC([NH2+][C@H](c2ccc(F)c(Cl)c2)C2CC2)CC1 ZINC000449452964 1124745023 /nfs/dbraw/zinc/74/50/23/1124745023.db2.gz VNWMNOOFVYBMDH-INIZCTEOSA-N 2 1 296.817 3.614 20 0 CHADMP CC/C=C/C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449461607 1124755840 /nfs/dbraw/zinc/75/58/40/1124755840.db2.gz UABDYYYNXHMZJX-LOGPRUAHSA-N 2 1 272.436 3.595 20 0 CHADMP CC/C=C/C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449461607 1124755844 /nfs/dbraw/zinc/75/58/44/1124755844.db2.gz UABDYYYNXHMZJX-LOGPRUAHSA-N 2 1 272.436 3.595 20 0 CHADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449482470 1124762604 /nfs/dbraw/zinc/76/26/04/1124762604.db2.gz BVPHBNLMYDEAQW-WZGPROSRSA-N 2 1 286.463 3.675 20 0 CHADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449482470 1124762620 /nfs/dbraw/zinc/76/26/20/1124762620.db2.gz BVPHBNLMYDEAQW-WZGPROSRSA-N 2 1 286.463 3.675 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)C2CC(F)(F)C2)c1 ZINC000529538141 1124992620 /nfs/dbraw/zinc/99/26/20/1124992620.db2.gz LDUCTELSJGZJKJ-CYBMUJFWSA-N 2 1 296.405 3.662 20 0 CHADMP C(=C/c1ccccc1)\CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000450437942 1125025516 /nfs/dbraw/zinc/02/55/16/1125025516.db2.gz LQNHEUVIEPBHOJ-KKSMZRNKSA-N 2 1 298.474 3.898 20 0 CHADMP CCCC[C@@H](CC(C)C)[NH2+]C[C@@]1(F)CCCC[NH2+]C1 ZINC001246112203 1131331010 /nfs/dbraw/zinc/33/10/10/1131331010.db2.gz LGXHCOXAYAXYND-JKSUJKDBSA-N 2 1 272.452 3.663 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCC[C@@H](C(C)(C)C)CC2)CC1 ZINC000392236906 1125142822 /nfs/dbraw/zinc/14/28/22/1125142822.db2.gz GSJAEXKVXADGFT-SJORKVTESA-N 2 1 278.484 3.833 20 0 CHADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(C(C)(C)C)cc1 ZINC000392264687 1125143817 /nfs/dbraw/zinc/14/38/17/1125143817.db2.gz MFAWIMDVDYSYPP-HNNXBMFYSA-N 2 1 286.463 3.897 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000531140107 1125196601 /nfs/dbraw/zinc/19/66/01/1125196601.db2.gz MIQQYZOMROLIGR-BBRMVZONSA-N 2 1 280.843 3.645 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000531140107 1125196605 /nfs/dbraw/zinc/19/66/05/1125196605.db2.gz MIQQYZOMROLIGR-BBRMVZONSA-N 2 1 280.843 3.645 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000531140107 1125196611 /nfs/dbraw/zinc/19/66/11/1125196611.db2.gz MIQQYZOMROLIGR-BBRMVZONSA-N 2 1 280.843 3.645 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000531140107 1125196613 /nfs/dbraw/zinc/19/66/13/1125196613.db2.gz MIQQYZOMROLIGR-BBRMVZONSA-N 2 1 280.843 3.645 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccccc2Cl)C[C@H]1C ZINC000531140590 1125196636 /nfs/dbraw/zinc/19/66/36/1125196636.db2.gz DKIUCFMUTWDKLI-GDBMZVCRSA-N 2 1 294.870 3.687 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccccc2Cl)C[C@H]1C ZINC000531140590 1125196639 /nfs/dbraw/zinc/19/66/39/1125196639.db2.gz DKIUCFMUTWDKLI-GDBMZVCRSA-N 2 1 294.870 3.687 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccccc2Cl)C[C@H]1C ZINC000531140590 1125196643 /nfs/dbraw/zinc/19/66/43/1125196643.db2.gz DKIUCFMUTWDKLI-GDBMZVCRSA-N 2 1 294.870 3.687 20 0 CHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000532198404 1125239593 /nfs/dbraw/zinc/23/95/93/1125239593.db2.gz RSQCEXFKVZCVLU-QGZVFWFLSA-N 2 1 294.442 3.786 20 0 CHADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000532198404 1125239596 /nfs/dbraw/zinc/23/95/96/1125239596.db2.gz RSQCEXFKVZCVLU-QGZVFWFLSA-N 2 1 294.442 3.786 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000532236301 1125244539 /nfs/dbraw/zinc/24/45/39/1125244539.db2.gz ILFAYQSMQUGSKZ-UKPHBRMFSA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000532236301 1125244545 /nfs/dbraw/zinc/24/45/45/1125244545.db2.gz ILFAYQSMQUGSKZ-UKPHBRMFSA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000532236301 1125244549 /nfs/dbraw/zinc/24/45/49/1125244549.db2.gz ILFAYQSMQUGSKZ-UKPHBRMFSA-N 2 1 292.854 3.817 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000532236301 1125244551 /nfs/dbraw/zinc/24/45/51/1125244551.db2.gz ILFAYQSMQUGSKZ-UKPHBRMFSA-N 2 1 292.854 3.817 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2ccsc2[C@@H]1C ZINC000880377485 1125270169 /nfs/dbraw/zinc/27/01/69/1125270169.db2.gz XHOICTUCWJTUCM-ZDUSSCGKSA-N 2 1 289.448 3.653 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2ccsc2[C@@H]1C ZINC000880377485 1125270171 /nfs/dbraw/zinc/27/01/71/1125270171.db2.gz XHOICTUCWJTUCM-ZDUSSCGKSA-N 2 1 289.448 3.653 20 0 CHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)C2CCC2)CC1 ZINC000178392015 1125282272 /nfs/dbraw/zinc/28/22/72/1125282272.db2.gz KSRWGYBSQPRNKR-JKSUJKDBSA-N 2 1 286.463 3.990 20 0 CHADMP Cc1csc(C[N@@H+](C2CCCC2)C2CCN(C)CC2)c1 ZINC001137161427 1125296664 /nfs/dbraw/zinc/29/66/64/1125296664.db2.gz CLUOVEZQFCACME-UHFFFAOYSA-N 2 1 292.492 3.895 20 0 CHADMP c1ccc2c(c1)cccc2C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000035054304 1125301053 /nfs/dbraw/zinc/30/10/53/1125301053.db2.gz UCBFRXBYZKCSCM-UHFFFAOYSA-N 2 1 280.415 3.556 20 0 CHADMP CCCC1CCC([N@@H+](C)CCCn2ccnc2)CC1 ZINC000191425852 1125325553 /nfs/dbraw/zinc/32/55/53/1125325553.db2.gz FAAIVEQRFBPWCW-UHFFFAOYSA-N 2 1 263.429 3.564 20 0 CHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)C ZINC000398173373 1125336090 /nfs/dbraw/zinc/33/60/90/1125336090.db2.gz IKVLIMXWFFLEQZ-RDJZCZTQSA-N 2 1 274.452 3.533 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)C ZINC000398173373 1125336093 /nfs/dbraw/zinc/33/60/93/1125336093.db2.gz IKVLIMXWFFLEQZ-RDJZCZTQSA-N 2 1 274.452 3.533 20 0 CHADMP C/C(=C\c1ccccc1)C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000237674488 1125355193 /nfs/dbraw/zinc/35/51/93/1125355193.db2.gz NCVNORYJZITLFX-WBWKYDSYSA-N 2 1 286.463 3.944 20 0 CHADMP CCCCCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130242913 1125358101 /nfs/dbraw/zinc/35/81/01/1125358101.db2.gz BEJAXUIURSNJSB-HRCADAONSA-N 2 1 252.446 3.562 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCC[C@@H](C)CC2)cn1 ZINC000882905760 1125361288 /nfs/dbraw/zinc/36/12/88/1125361288.db2.gz SSRDKBFHABEXFU-PBHICJAKSA-N 2 1 298.434 3.634 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1sccc1Cl ZINC000883188865 1125375379 /nfs/dbraw/zinc/37/53/79/1125375379.db2.gz RZBPJVYSRRUKOB-YPMHNXCESA-N 2 1 286.872 3.784 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1sccc1Cl ZINC000883188865 1125375381 /nfs/dbraw/zinc/37/53/81/1125375381.db2.gz RZBPJVYSRRUKOB-YPMHNXCESA-N 2 1 286.872 3.784 20 0 CHADMP CCSc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000883244487 1125383012 /nfs/dbraw/zinc/38/30/12/1125383012.db2.gz OGUSQANTRJZLFQ-UHFFFAOYSA-N 2 1 292.492 3.761 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc3ccccc32)C1 ZINC000040620679 1125388782 /nfs/dbraw/zinc/38/87/82/1125388782.db2.gz BEKQGWDPRUEEBI-MRXNPFEDSA-N 2 1 282.431 3.660 20 0 CHADMP CCCC1CCC([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000040622257 1125389348 /nfs/dbraw/zinc/38/93/48/1125389348.db2.gz NRMRCCBXMMZXAO-CGZBRXJRSA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)CC(CC(C)C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000040622370 1125389401 /nfs/dbraw/zinc/38/94/01/1125389401.db2.gz OBLHIZKPGXVSSZ-MRXNPFEDSA-N 2 1 268.489 3.767 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCCCCC1 ZINC000227919214 1125392645 /nfs/dbraw/zinc/39/26/45/1125392645.db2.gz WQNOLHNEIIOKFH-UAGQMJEPSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)C1CCCCCC1 ZINC000227919214 1125392648 /nfs/dbraw/zinc/39/26/48/1125392648.db2.gz WQNOLHNEIIOKFH-UAGQMJEPSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000044533263 1125394561 /nfs/dbraw/zinc/39/45/61/1125394561.db2.gz IBZRSJIIYBJCFH-DLBZAZTESA-N 2 1 288.479 3.674 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC(C)(C)c3ccccc32)C1 ZINC000044535559 1125394615 /nfs/dbraw/zinc/39/46/15/1125394615.db2.gz HYABHIAJFLVFJJ-QAPCUYQASA-N 2 1 286.463 3.731 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)CC[N@@H+]1C ZINC000532525295 1125408464 /nfs/dbraw/zinc/40/84/64/1125408464.db2.gz LIKUAXPAMFJZMH-NKGKWGDASA-N 2 1 290.426 3.534 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)CC[N@H+]1C ZINC000532525295 1125408465 /nfs/dbraw/zinc/40/84/65/1125408465.db2.gz LIKUAXPAMFJZMH-NKGKWGDASA-N 2 1 290.426 3.534 20 0 CHADMP Cc1ccc([C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)s1 ZINC000124020199 1125434241 /nfs/dbraw/zinc/43/42/41/1125434241.db2.gz CKIIULIKIXGELX-GJZGRUSLSA-N 2 1 278.465 3.678 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)s1 ZINC000124020199 1125434243 /nfs/dbraw/zinc/43/42/43/1125434243.db2.gz CKIIULIKIXGELX-GJZGRUSLSA-N 2 1 278.465 3.678 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)s1 ZINC000124020199 1125434246 /nfs/dbraw/zinc/43/42/46/1125434246.db2.gz CKIIULIKIXGELX-GJZGRUSLSA-N 2 1 278.465 3.678 20 0 CHADMP CC[C@@H](Cc1ccccc1)[N@H+](C)CCCCn1cc[nH+]c1C ZINC000124425021 1125439496 /nfs/dbraw/zinc/43/94/96/1125439496.db2.gz ZUVLLNTYSSITMC-IBGZPJMESA-N 2 1 299.462 3.925 20 0 CHADMP CC[C@@H](Cc1ccccc1)[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000124425021 1125439498 /nfs/dbraw/zinc/43/94/98/1125439498.db2.gz ZUVLLNTYSSITMC-IBGZPJMESA-N 2 1 299.462 3.925 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000235999589 1125444945 /nfs/dbraw/zinc/44/49/45/1125444945.db2.gz GITDSRGOXANOSE-RDJZCZTQSA-N 2 1 292.854 3.612 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000235999589 1125444948 /nfs/dbraw/zinc/44/49/48/1125444948.db2.gz GITDSRGOXANOSE-RDJZCZTQSA-N 2 1 292.854 3.612 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)C1CCC(C)(C)CC1 ZINC000125190215 1125445134 /nfs/dbraw/zinc/44/51/34/1125445134.db2.gz LIWWZCMMHZQTLC-UHFFFAOYSA-N 2 1 277.456 3.872 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C1CCC(C)(C)CC1 ZINC000125190215 1125445133 /nfs/dbraw/zinc/44/51/33/1125445133.db2.gz LIWWZCMMHZQTLC-UHFFFAOYSA-N 2 1 277.456 3.872 20 0 CHADMP CC[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000125146872 1125445527 /nfs/dbraw/zinc/44/55/27/1125445527.db2.gz BOCYNNKMFBUKSJ-HUUCEWRRSA-N 2 1 260.425 3.600 20 0 CHADMP CC(C)[C@H](C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1)[NH+]1CCCC1 ZINC000348258467 1125448182 /nfs/dbraw/zinc/44/81/82/1125448182.db2.gz KIYLBFDEKUORBX-OTWHNJEPSA-N 2 1 286.463 3.500 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](C)c1cccs1 ZINC000125471741 1125449173 /nfs/dbraw/zinc/44/91/73/1125449173.db2.gz AXTRBMCYRPKPFB-CYBMUJFWSA-N 2 1 277.437 3.726 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](C)c1cccs1 ZINC000125471741 1125449175 /nfs/dbraw/zinc/44/91/75/1125449175.db2.gz AXTRBMCYRPKPFB-CYBMUJFWSA-N 2 1 277.437 3.726 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000638303942 1129252408 /nfs/dbraw/zinc/25/24/08/1129252408.db2.gz WUZONRAEJOFUHV-UCLAIMLFSA-N 2 1 284.447 3.743 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000638303942 1129252410 /nfs/dbraw/zinc/25/24/10/1129252410.db2.gz WUZONRAEJOFUHV-UCLAIMLFSA-N 2 1 284.447 3.743 20 0 CHADMP c1ccc([C@H]2C[C@H]([NH2+]CCC3CC3)CC[N@@H+]2C2CC2)cc1 ZINC000638715929 1129267387 /nfs/dbraw/zinc/26/73/87/1129267387.db2.gz YECLAAUMDGTSFJ-IEBWSBKVSA-N 2 1 284.447 3.744 20 0 CHADMP c1ccc([C@H]2C[C@H]([NH2+]CCC3CC3)CC[N@H+]2C2CC2)cc1 ZINC000638715929 1129267389 /nfs/dbraw/zinc/26/73/89/1129267389.db2.gz YECLAAUMDGTSFJ-IEBWSBKVSA-N 2 1 284.447 3.744 20 0 CHADMP CC1([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCC1 ZINC000638889563 1129274006 /nfs/dbraw/zinc/27/40/06/1129274006.db2.gz BYJBKNSIESKCMU-AEFFLSMTSA-N 2 1 284.447 3.887 20 0 CHADMP CC1([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCC1 ZINC000638889563 1129274008 /nfs/dbraw/zinc/27/40/08/1129274008.db2.gz BYJBKNSIESKCMU-AEFFLSMTSA-N 2 1 284.447 3.887 20 0 CHADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3[C@@H]4CCC[C@@H]43)CC[N@H+]2C2CC2)cc1 ZINC000639326346 1129302919 /nfs/dbraw/zinc/30/29/19/1129302919.db2.gz ZEHHQIPUQMJOEU-MVBLQPKNSA-N 2 1 296.458 3.743 20 0 CHADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3[C@@H]4CCC[C@@H]43)CC[N@@H+]2C2CC2)cc1 ZINC000639326346 1129302923 /nfs/dbraw/zinc/30/29/23/1129302923.db2.gz ZEHHQIPUQMJOEU-MVBLQPKNSA-N 2 1 296.458 3.743 20 0 CHADMP CC1([NH+]2CCCC2)CC[NH+](CCCc2ccsc2)CC1 ZINC000639984121 1129343642 /nfs/dbraw/zinc/34/36/42/1129343642.db2.gz PPRCBHGAQOYEIC-UHFFFAOYSA-N 2 1 292.492 3.631 20 0 CHADMP CCC1([NH+](C)C)CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000640018227 1129345092 /nfs/dbraw/zinc/34/50/92/1129345092.db2.gz XNALVTOKVVBDKJ-OAHLLOKOSA-N 2 1 290.451 3.562 20 0 CHADMP c1ccc([C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C2CCC2)cc1 ZINC000641771111 1129390903 /nfs/dbraw/zinc/39/09/03/1129390903.db2.gz XJXAMJNUJGTFJZ-BEFAXECRSA-N 2 1 284.447 3.602 20 0 CHADMP C[C@@H](c1ccccc1Cl)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000738312098 1129393205 /nfs/dbraw/zinc/39/32/05/1129393205.db2.gz OFAPMXVOYXYMNZ-ZDUSSCGKSA-N 2 1 280.843 3.675 20 0 CHADMP CCCC[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)s2)CC[NH2+]1 ZINC001246176322 1131374338 /nfs/dbraw/zinc/37/43/38/1131374338.db2.gz OVLVZXNBSAEDJH-RYUDHWBXSA-N 2 1 286.872 3.802 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1)c1c[nH+]ccc1N ZINC000643485041 1129443165 /nfs/dbraw/zinc/44/31/65/1129443165.db2.gz BXTJXZTXHRFVBB-USXIJHARSA-N 2 1 295.430 3.871 20 0 CHADMP Cc1nc([C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c(C)s1 ZINC000643513991 1129443626 /nfs/dbraw/zinc/44/36/26/1129443626.db2.gz BZEPQHYAQWJMST-MNOVXSKESA-N 2 1 289.448 3.630 20 0 CHADMP Clc1cc2c(c(Cl)c1)[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)CC2 ZINC000643522205 1129443900 /nfs/dbraw/zinc/44/39/00/1129443900.db2.gz JNUIUZIVRGBFII-OCCSQVGLSA-N 2 1 299.245 3.712 20 0 CHADMP C[C@@H]1C[N@H+](Cc2sc3ccccc3c2Cl)CC[C@@H]1[NH3+] ZINC000094341720 1129443958 /nfs/dbraw/zinc/44/39/58/1129443958.db2.gz OARHXENBDPLLFJ-PWSUYJOCSA-N 2 1 294.851 3.724 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2sc3ccccc3c2Cl)CC[C@@H]1[NH3+] ZINC000094341720 1129443960 /nfs/dbraw/zinc/44/39/60/1129443960.db2.gz OARHXENBDPLLFJ-PWSUYJOCSA-N 2 1 294.851 3.724 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cccc(Cl)c1F ZINC000643522885 1129444385 /nfs/dbraw/zinc/44/43/85/1129444385.db2.gz UHUSNAZVJAUALW-BXUZGUMPSA-N 2 1 284.806 3.662 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cccc(Cl)c1F ZINC000643522887 1129444481 /nfs/dbraw/zinc/44/44/81/1129444481.db2.gz UHUSNAZVJAUALW-RISCZKNCSA-N 2 1 284.806 3.662 20 0 CHADMP CCCC[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)s2)CC[NH2+]1 ZINC001246176324 1131374555 /nfs/dbraw/zinc/37/45/55/1131374555.db2.gz OVLVZXNBSAEDJH-VXGBXAGGSA-N 2 1 286.872 3.802 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@@H]1CCC(C)(C)C1 ZINC001258606780 1129458091 /nfs/dbraw/zinc/45/80/91/1129458091.db2.gz BYRHEMVCTGOLED-YESZJQIVSA-N 2 1 278.484 3.904 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@@H]1CCC(C)(C)C1 ZINC001258606780 1129458093 /nfs/dbraw/zinc/45/80/93/1129458093.db2.gz BYRHEMVCTGOLED-YESZJQIVSA-N 2 1 278.484 3.904 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@@H]1CCC(C)(C)C1 ZINC001258606780 1129458095 /nfs/dbraw/zinc/45/80/95/1129458095.db2.gz BYRHEMVCTGOLED-YESZJQIVSA-N 2 1 278.484 3.904 20 0 CHADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCc2cc(Cl)ccc21 ZINC000796055724 1129463896 /nfs/dbraw/zinc/46/38/96/1129463896.db2.gz DRJDISQQXPHDTN-KRWDZBQOSA-N 2 1 292.854 3.745 20 0 CHADMP CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000796284153 1129513111 /nfs/dbraw/zinc/51/31/11/1129513111.db2.gz KBDGESDAXJLOLP-UKRRQHHQSA-N 2 1 295.496 3.653 20 0 CHADMP C[C@H](c1cccs1)[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251285567 1129519858 /nfs/dbraw/zinc/51/98/58/1129519858.db2.gz SSTGPKXRPLXJHN-FFHGMXDLSA-N 2 1 278.465 3.662 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]C1(c2ccc(C)cc2)CCC1 ZINC000646130747 1129525609 /nfs/dbraw/zinc/52/56/09/1129525609.db2.gz FKJOXLSMJRMCOE-UHFFFAOYSA-N 2 1 297.446 3.949 20 0 CHADMP Cc1cc(C)c(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c(C)c1 ZINC001239550301 1131381361 /nfs/dbraw/zinc/38/13/61/1131381361.db2.gz NCWGNAKLEZCSMO-UHFFFAOYSA-N 2 1 291.398 3.613 20 0 CHADMP CC(C)C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccncc1 ZINC000647306761 1129566925 /nfs/dbraw/zinc/56/69/25/1129566925.db2.gz HXMKFAOSLYRDTM-GOSISDBHSA-N 2 1 289.467 3.633 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2(c3cccc(Cl)c3)CCC2)CC[N@@H+]1C ZINC000647349577 1129573699 /nfs/dbraw/zinc/57/36/99/1129573699.db2.gz YKTKJAHZVWCSQF-CJNGLKHVSA-N 2 1 292.854 3.792 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]C2(c3cccc(Cl)c3)CCC2)CC[N@H+]1C ZINC000647349577 1129573703 /nfs/dbraw/zinc/57/37/03/1129573703.db2.gz YKTKJAHZVWCSQF-CJNGLKHVSA-N 2 1 292.854 3.792 20 0 CHADMP C(CC1CCCCC1)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482542 1129578389 /nfs/dbraw/zinc/57/83/89/1129578389.db2.gz NOLRLQGROMXPCO-UHFFFAOYSA-N 2 1 264.457 3.563 20 0 CHADMP Cc1ccccc1C[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000647879530 1129587284 /nfs/dbraw/zinc/58/72/84/1129587284.db2.gz IDFYABIVHLBXJE-IBGZPJMESA-N 2 1 294.442 3.607 20 0 CHADMP CC1([NH3+])CC[NH+](Cc2sc3ccccc3c2Cl)CC1 ZINC000647925458 1129588448 /nfs/dbraw/zinc/58/84/48/1129588448.db2.gz JWGFXZVVCDPCPQ-UHFFFAOYSA-N 2 1 294.851 3.868 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2)CCC[C@H]1C[NH3+] ZINC001205996194 1129686911 /nfs/dbraw/zinc/68/69/11/1129686911.db2.gz VWWBBTKPKBHJEB-KXBFYZLASA-N 2 1 282.431 3.647 20 0 CHADMP CCC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccs1 ZINC001169096065 1129696157 /nfs/dbraw/zinc/69/61/57/1129696157.db2.gz UJPJZIHJCKCRPY-LXTVHRRPSA-N 2 1 278.465 3.804 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccc3ccccc3c1)C2 ZINC001169098820 1129696214 /nfs/dbraw/zinc/69/62/14/1129696214.db2.gz LESOKGGGCTUOEN-OWZKRDHZSA-N 2 1 294.442 3.597 20 0 CHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc2c(c1)CCCC2 ZINC001169096758 1129696408 /nfs/dbraw/zinc/69/64/08/1129696408.db2.gz YDUBVAJDMWOHFF-DMSXTEQDSA-N 2 1 298.474 3.841 20 0 CHADMP CCc1ccc([C@@H](CC)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169120164 1129699788 /nfs/dbraw/zinc/69/97/88/1129699788.db2.gz YZOONMLALYTORT-FCGDIQPGSA-N 2 1 286.463 3.915 20 0 CHADMP C[N@@H+](Cc1cccc2ccccc21)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169140215 1129699806 /nfs/dbraw/zinc/69/98/06/1129699806.db2.gz JBEWJOISIFYIPK-BWTSREIZSA-N 2 1 294.442 3.897 20 0 CHADMP C[NH+](Cc1cccc2ccccc21)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169140215 1129699808 /nfs/dbraw/zinc/69/98/08/1129699808.db2.gz JBEWJOISIFYIPK-BWTSREIZSA-N 2 1 294.442 3.897 20 0 CHADMP C[NH+](Cc1cccc2ccccc21)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169140215 1129699810 /nfs/dbraw/zinc/69/98/10/1129699810.db2.gz JBEWJOISIFYIPK-BWTSREIZSA-N 2 1 294.442 3.897 20 0 CHADMP CC(C)C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001169090659 1129699899 /nfs/dbraw/zinc/69/98/99/1129699899.db2.gz KEBYDGAQFKFIGX-FCGDIQPGSA-N 2 1 286.463 3.989 20 0 CHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(F)cc(Cl)c1 ZINC001169123789 1129701320 /nfs/dbraw/zinc/70/13/20/1129701320.db2.gz MWGYJZIWLKRBNV-KCXZSRPNSA-N 2 1 296.817 3.755 20 0 CHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(F)cc(Cl)c1 ZINC001169123789 1129701321 /nfs/dbraw/zinc/70/13/21/1129701321.db2.gz MWGYJZIWLKRBNV-KCXZSRPNSA-N 2 1 296.817 3.755 20 0 CHADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC001169123986 1129701915 /nfs/dbraw/zinc/70/19/15/1129701915.db2.gz OKIDSAZOBKXFMV-NXOAAHMSSA-N 2 1 264.457 3.560 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC001169108962 1129703471 /nfs/dbraw/zinc/70/34/71/1129703471.db2.gz XCSUUDAWFMVVFT-OWLYRPNTSA-N 2 1 272.436 3.579 20 0 CHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1c1ccccc1F)C2 ZINC001169141023 1129704185 /nfs/dbraw/zinc/70/41/85/1129704185.db2.gz NZYKPOOTHUDCHW-LDDOYCOJSA-N 2 1 288.410 3.588 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1c1ccccc1F)C2 ZINC001169141023 1129704186 /nfs/dbraw/zinc/70/41/86/1129704186.db2.gz NZYKPOOTHUDCHW-LDDOYCOJSA-N 2 1 288.410 3.588 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]1c1ccccc1F)C2 ZINC001169141023 1129704189 /nfs/dbraw/zinc/70/41/89/1129704189.db2.gz NZYKPOOTHUDCHW-LDDOYCOJSA-N 2 1 288.410 3.588 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]1c1ccccc1F)C2 ZINC001169141023 1129704191 /nfs/dbraw/zinc/70/41/91/1129704191.db2.gz NZYKPOOTHUDCHW-LDDOYCOJSA-N 2 1 288.410 3.588 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169148440 1129704262 /nfs/dbraw/zinc/70/42/62/1129704262.db2.gz YYPIAPRYCPWOQZ-XMTFNYHQSA-N 2 1 272.436 3.695 20 0 CHADMP CC[C@H](c1ccccc1)[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169148440 1129704263 /nfs/dbraw/zinc/70/42/63/1129704263.db2.gz YYPIAPRYCPWOQZ-XMTFNYHQSA-N 2 1 272.436 3.695 20 0 CHADMP CC[C@H](c1ccccc1)[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169148440 1129704265 /nfs/dbraw/zinc/70/42/65/1129704265.db2.gz YYPIAPRYCPWOQZ-XMTFNYHQSA-N 2 1 272.436 3.695 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H](C3CCCCC3)C1)C2 ZINC001169142187 1129704433 /nfs/dbraw/zinc/70/44/33/1129704433.db2.gz ANSGDJCZHVWUIM-FJIDUMEYSA-N 2 1 276.468 3.514 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@H](C3CCCCC3)C1)C2 ZINC001169142187 1129704437 /nfs/dbraw/zinc/70/44/37/1129704437.db2.gz ANSGDJCZHVWUIM-FJIDUMEYSA-N 2 1 276.468 3.514 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@H](C3CCCCC3)C1)C2 ZINC001169142187 1129704438 /nfs/dbraw/zinc/70/44/38/1129704438.db2.gz ANSGDJCZHVWUIM-FJIDUMEYSA-N 2 1 276.468 3.514 20 0 CHADMP CC[N@@H+](Cc1cccc(Cl)c1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153234 1129705024 /nfs/dbraw/zinc/70/50/24/1129705024.db2.gz HWLIIWHVUVYXPL-FVQHAEBGSA-N 2 1 292.854 3.787 20 0 CHADMP CC[NH+](Cc1cccc(Cl)c1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169153234 1129705025 /nfs/dbraw/zinc/70/50/25/1129705025.db2.gz HWLIIWHVUVYXPL-FVQHAEBGSA-N 2 1 292.854 3.787 20 0 CHADMP CC[NH+](Cc1cccc(Cl)c1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169153234 1129705029 /nfs/dbraw/zinc/70/50/29/1129705029.db2.gz HWLIIWHVUVYXPL-FVQHAEBGSA-N 2 1 292.854 3.787 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](CC(C)C)c2cccc(F)c2)CC1 ZINC001169230064 1129710764 /nfs/dbraw/zinc/71/07/64/1129710764.db2.gz MSYAIYXONUNJKU-SFHVURJKSA-N 2 1 292.442 3.987 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)c(C)c2)CC1 ZINC001169233135 1129711078 /nfs/dbraw/zinc/71/10/78/1129711078.db2.gz MLHSLKQFUICKKB-ZDUSSCGKSA-N 2 1 280.843 3.783 20 0 CHADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(C)cc1C ZINC001169241277 1129712629 /nfs/dbraw/zinc/71/26/29/1129712629.db2.gz RVVCSYPYUYALTR-GOSISDBHSA-N 2 1 274.452 3.828 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CCN1C ZINC000651725762 1129745626 /nfs/dbraw/zinc/74/56/26/1129745626.db2.gz NZEHJKGIUZHQLR-SCDSUCTJSA-N 2 1 296.817 3.539 20 0 CHADMP CC(C)C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000652151431 1129758962 /nfs/dbraw/zinc/75/89/62/1129758962.db2.gz SLWSAVXHLGMNOW-YJBOKZPZSA-N 2 1 292.442 3.844 20 0 CHADMP CC[C@@H](C)C[C@H](CC)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001258798384 1129776957 /nfs/dbraw/zinc/77/69/57/1129776957.db2.gz SREKUMNHXGRZBW-CVEARBPZSA-N 2 1 266.473 3.619 20 0 CHADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000086907830 1129826391 /nfs/dbraw/zinc/82/63/91/1129826391.db2.gz LJKZRCOUYOIWBA-GJZGRUSLSA-N 2 1 254.462 3.665 20 0 CHADMP CCc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)ccc1Cl ZINC001206026671 1129830656 /nfs/dbraw/zinc/83/06/56/1129830656.db2.gz TYIZMMDAZRDKIO-CJNGLKHVSA-N 2 1 294.870 3.709 20 0 CHADMP Cc1ccsc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768199020 1129838721 /nfs/dbraw/zinc/83/87/21/1129838721.db2.gz SKPPLPVYRCWMDI-UHFFFAOYSA-N 2 1 288.460 3.750 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@](C)(F)CC1 ZINC001258907075 1129844749 /nfs/dbraw/zinc/84/47/49/1129844749.db2.gz FEAODRZKTVZHSH-HOTGVXAUSA-N 2 1 272.452 3.711 20 0 CHADMP C[C@H](CC[NH2+]C1CC(C(F)F)C1)[N@@H+](C)Cc1ccccc1 ZINC000768699279 1129869503 /nfs/dbraw/zinc/86/95/03/1129869503.db2.gz ZNOROTVVXDBBNI-IUDNXUCKSA-N 2 1 296.405 3.530 20 0 CHADMP CC[NH+](CC)CCC[NH2+]Cc1c(C)cc(Cl)cc1C ZINC001461002537 1129900270 /nfs/dbraw/zinc/90/02/70/1129900270.db2.gz XYNLHYDJZAKEQT-UHFFFAOYSA-N 2 1 282.859 3.778 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CS1 ZINC001461459777 1129927117 /nfs/dbraw/zinc/92/71/17/1129927117.db2.gz GHGSNHADOCVVJE-HLLBOEOZSA-N 2 1 296.524 3.657 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CS1 ZINC001461459777 1129927119 /nfs/dbraw/zinc/92/71/19/1129927119.db2.gz GHGSNHADOCVVJE-HLLBOEOZSA-N 2 1 296.524 3.657 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CS1 ZINC001461459898 1129927134 /nfs/dbraw/zinc/92/71/34/1129927134.db2.gz GHGSNHADOCVVJE-VYDXJSESSA-N 2 1 296.524 3.657 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CS1 ZINC001461459898 1129927136 /nfs/dbraw/zinc/92/71/36/1129927136.db2.gz GHGSNHADOCVVJE-VYDXJSESSA-N 2 1 296.524 3.657 20 0 CHADMP CCCC[C@@H](CCC)[NH2+]C[C@]1(C)CC[NH2+]CC1(F)F ZINC001246221373 1131409959 /nfs/dbraw/zinc/40/99/59/1131409959.db2.gz NVOCWGNUSKGGNT-KGLIPLIRSA-N 2 1 276.415 3.570 20 0 CHADMP C[C@H]([NH2+]CCSC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000801937935 1129961332 /nfs/dbraw/zinc/96/13/32/1129961332.db2.gz BQAVTNUFJMUZMR-GJZGRUSLSA-N 2 1 298.540 3.761 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C2(C3CCCCC3)CC2)CC1(C)C ZINC000902727642 1130046014 /nfs/dbraw/zinc/04/60/14/1130046014.db2.gz ZAMLYBWCKRNCEY-HNNXBMFYSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@@H]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903076213 1130108660 /nfs/dbraw/zinc/10/86/60/1130108660.db2.gz LNNLKUNMZLGVIV-PETKQJPQSA-N 2 1 276.468 3.560 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H](C)c1ccccc1 ZINC000903105821 1130113916 /nfs/dbraw/zinc/11/39/16/1130113916.db2.gz UTDISVOCUJUGRJ-LXESPVFBSA-N 2 1 298.474 3.926 20 0 CHADMP CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCCCC1 ZINC000903125018 1130116705 /nfs/dbraw/zinc/11/67/05/1130116705.db2.gz JXNSQRRZYZTGPF-ZXFUBFMLSA-N 2 1 276.468 3.704 20 0 CHADMP c1ccc([C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C2CC2)nc1 ZINC000903339910 1130162183 /nfs/dbraw/zinc/16/21/83/1130162183.db2.gz OOLQNCZNMUVYSC-IBGZPJMESA-N 2 1 299.462 3.529 20 0 CHADMP CCCCC[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903385227 1130169994 /nfs/dbraw/zinc/16/99/94/1130169994.db2.gz WIGJAGBUEBPSCQ-WBVHZDCISA-N 2 1 277.456 3.633 20 0 CHADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Cl)cc3ccccc32)C1 ZINC000903447627 1130178732 /nfs/dbraw/zinc/17/87/32/1130178732.db2.gz ZZFFHKZQVQWAAZ-TZMCWYRMSA-N 2 1 288.822 3.662 20 0 CHADMP CC[N@H+](Cc1ccccc1Cl)CC1CC[NH+](C)CC1 ZINC000788475606 1130189055 /nfs/dbraw/zinc/18/90/55/1130189055.db2.gz QRAFQCCAPPBPMB-UHFFFAOYSA-N 2 1 280.843 3.504 20 0 CHADMP Cc1ccc([C@H]2CCCCC[N@@H+]2CC2CC[NH+](C)CC2)o1 ZINC000788481745 1130190288 /nfs/dbraw/zinc/19/02/88/1130190288.db2.gz SNKVMUPVOIVIBA-QGZVFWFLSA-N 2 1 290.451 3.847 20 0 CHADMP CCCC[C@@H](CC)CCN1CCc2sc(CN)nc2C1 ZINC000903942603 1130211545 /nfs/dbraw/zinc/21/15/45/1130211545.db2.gz RVQCKMZLHRARLR-CYBMUJFWSA-N 2 1 295.496 3.566 20 0 CHADMP CC(C)([NH2+]C[C@H]([NH3+])CC(F)F)c1ccc2ccccc2c1 ZINC000903935118 1130211639 /nfs/dbraw/zinc/21/16/39/1130211639.db2.gz NKXITJLJYSITOT-OAHLLOKOSA-N 2 1 292.373 3.647 20 0 CHADMP Cc1c(Cl)ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1F ZINC001206036777 1130254018 /nfs/dbraw/zinc/25/40/18/1130254018.db2.gz PVYQVPFSPFEVNG-YPMHNXCESA-N 2 1 298.833 3.594 20 0 CHADMP C[C@H]1CC[C@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170120121 1130277524 /nfs/dbraw/zinc/27/75/24/1130277524.db2.gz FHTAHRZMEDWFSH-OTRWWLKZSA-N 2 1 264.457 3.690 20 0 CHADMP C[N@@H+]([C@@H]1C=CCCC1)[C@H]1CCC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000677187203 1130295189 /nfs/dbraw/zinc/29/51/89/1130295189.db2.gz YTOMXBOJYORUOO-CEXWTWQISA-N 2 1 288.479 3.990 20 0 CHADMP C[C@H]1CC[C@@H]([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)C1 ZINC001170150705 1130359046 /nfs/dbraw/zinc/35/90/46/1130359046.db2.gz OLXKMFMLLQRSLV-OXJNMPFZSA-N 2 1 298.474 3.698 20 0 CHADMP C[C@H]1CC[C@@H]([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)C1 ZINC001170150705 1130359051 /nfs/dbraw/zinc/35/90/51/1130359051.db2.gz OLXKMFMLLQRSLV-OXJNMPFZSA-N 2 1 298.474 3.698 20 0 CHADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+](CC)CC1 ZINC000678772860 1130453547 /nfs/dbraw/zinc/45/35/47/1130453547.db2.gz GONCVSFDQIRLMA-MRXNPFEDSA-N 2 1 294.870 3.735 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000678776496 1130453747 /nfs/dbraw/zinc/45/37/47/1130453747.db2.gz GAJHQLLQWAQNMV-MSOLQXFVSA-N 2 1 272.436 3.602 20 0 CHADMP FC(F)c1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc1 ZINC001240768213 1130462564 /nfs/dbraw/zinc/46/25/64/1130462564.db2.gz NCXDABNXNFTOOY-UHFFFAOYSA-N 2 1 299.324 3.626 20 0 CHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H]1CCc2ccccc21 ZINC000679535072 1130536046 /nfs/dbraw/zinc/53/60/46/1130536046.db2.gz UNUNPVHNIZIAJU-QZTJIDSGSA-N 2 1 286.463 3.523 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H]1CCc2ccccc21 ZINC000679535072 1130536050 /nfs/dbraw/zinc/53/60/50/1130536050.db2.gz UNUNPVHNIZIAJU-QZTJIDSGSA-N 2 1 286.463 3.523 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H]1CCc2ccccc21 ZINC000679535072 1130536054 /nfs/dbraw/zinc/53/60/54/1130536054.db2.gz UNUNPVHNIZIAJU-QZTJIDSGSA-N 2 1 286.463 3.523 20 0 CHADMP CCC(CC)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000679738936 1130553055 /nfs/dbraw/zinc/55/30/55/1130553055.db2.gz GVHQFAIWSVLKPB-ZBFHGGJFSA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)CC[C@H](C)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001256360035 1130614202 /nfs/dbraw/zinc/61/42/02/1130614202.db2.gz CDAMXPJKSFOSGC-JKSUJKDBSA-N 2 1 254.462 3.652 20 0 CHADMP CC1=C[C@@H](C)C[C@H](C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)C1 ZINC000811500554 1130617556 /nfs/dbraw/zinc/61/75/56/1130617556.db2.gz GUWNBSZZXSNNFK-AEFFLSMTSA-N 2 1 290.495 3.787 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001234999443 1130699951 /nfs/dbraw/zinc/69/99/51/1130699951.db2.gz MDHOQLIPRALBAE-LJQANCHMSA-N 2 1 286.463 3.605 20 0 CHADMP CCc1cccc(C)c1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235037298 1130704226 /nfs/dbraw/zinc/70/42/26/1130704226.db2.gz GBBNPJCCTNTDDY-LJQANCHMSA-N 2 1 286.463 3.666 20 0 CHADMP Cc1ccc(Cl)c(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235041068 1130704440 /nfs/dbraw/zinc/70/44/40/1130704440.db2.gz XLAWNCRCROXHJR-KRWDZBQOSA-N 2 1 292.854 3.757 20 0 CHADMP Cc1ccc(Cl)c(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235041068 1130704446 /nfs/dbraw/zinc/70/44/46/1130704446.db2.gz XLAWNCRCROXHJR-KRWDZBQOSA-N 2 1 292.854 3.757 20 0 CHADMP c1ccc2cc(C[N@H+]3CCC[C@]4(CCC[NH2+]4)CC3)ccc2c1 ZINC001235039895 1130704574 /nfs/dbraw/zinc/70/45/74/1130704574.db2.gz JBEGMJPFUCBHOJ-HXUWFJFHSA-N 2 1 294.442 3.948 20 0 CHADMP c1cc(C2CC2)ccc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235036771 1130704750 /nfs/dbraw/zinc/70/47/50/1130704750.db2.gz BINCAGNMHXADQX-LJQANCHMSA-N 2 1 284.447 3.672 20 0 CHADMP CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1 ZINC001235041828 1130705035 /nfs/dbraw/zinc/70/50/35/1130705035.db2.gz UAMLJLYZCNIIMG-IBGZPJMESA-N 2 1 286.463 3.918 20 0 CHADMP CC1=CC[C@H](CC[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)C1(C)C ZINC001235038284 1130705505 /nfs/dbraw/zinc/70/55/05/1130705505.db2.gz FLDNBGHMTVBXSH-IEBWSBKVSA-N 2 1 290.495 3.977 20 0 CHADMP Cc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)ccc1Cl ZINC001235044706 1130706271 /nfs/dbraw/zinc/70/62/71/1130706271.db2.gz JPBJAYBKNNVERW-KRWDZBQOSA-N 2 1 292.854 3.757 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)ccc1Cl ZINC001235044706 1130706275 /nfs/dbraw/zinc/70/62/75/1130706275.db2.gz JPBJAYBKNNVERW-KRWDZBQOSA-N 2 1 292.854 3.757 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+]1CCC12CC[NH2+]CC2 ZINC001235101916 1130711057 /nfs/dbraw/zinc/71/10/57/1130711057.db2.gz IOCRCCOYQGYFEI-UHFFFAOYSA-N 2 1 286.444 3.538 20 0 CHADMP C[C@H](C[N@@H+]1CCC[C@]12CC[NH2+]C2)c1cccc2ccccc21 ZINC001235111676 1130712108 /nfs/dbraw/zinc/71/21/08/1130712108.db2.gz RXILTTPHYAPXSU-OXQOHEQNSA-N 2 1 294.442 3.771 20 0 CHADMP C[C@H](C[N@H+]1CCC[C@]12CC[NH2+]C2)c1cccc2ccccc21 ZINC001235111676 1130712110 /nfs/dbraw/zinc/71/21/10/1130712110.db2.gz RXILTTPHYAPXSU-OXQOHEQNSA-N 2 1 294.442 3.771 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235125211 1130713059 /nfs/dbraw/zinc/71/30/59/1130713059.db2.gz NQZXDADKKWDSBL-ROUUACIJSA-N 2 1 278.484 3.977 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235125211 1130713063 /nfs/dbraw/zinc/71/30/63/1130713063.db2.gz NQZXDADKKWDSBL-ROUUACIJSA-N 2 1 278.484 3.977 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235124283 1130713672 /nfs/dbraw/zinc/71/36/72/1130713672.db2.gz LNLMYXFARITYKD-IRXDYDNUSA-N 2 1 264.457 3.587 20 0 CHADMP CCc1cc(C[N@@H+]2CCCC23CC[NH2+]CC3)ccc1Cl ZINC001235145219 1130715152 /nfs/dbraw/zinc/71/51/52/1130715152.db2.gz QQDAJQFQHWPDAG-UHFFFAOYSA-N 2 1 292.854 3.620 20 0 CHADMP CCc1cc(C[N@H+]2CCCC23CC[NH2+]CC3)ccc1Cl ZINC001235145219 1130715157 /nfs/dbraw/zinc/71/51/57/1130715157.db2.gz QQDAJQFQHWPDAG-UHFFFAOYSA-N 2 1 292.854 3.620 20 0 CHADMP c1oc2ccccc2c1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235159077 1130716456 /nfs/dbraw/zinc/71/64/56/1130716456.db2.gz VGETXBHCLDPQHQ-SFHVURJKSA-N 2 1 298.430 3.787 20 0 CHADMP c1ccc2c(c1)cccc2C[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235173934 1130717408 /nfs/dbraw/zinc/71/74/08/1130717408.db2.gz RTFLKUBARVANJZ-HXUWFJFHSA-N 2 1 294.442 3.948 20 0 CHADMP c1ccc2c(c1)cccc2C[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235173934 1130717413 /nfs/dbraw/zinc/71/74/13/1130717413.db2.gz RTFLKUBARVANJZ-HXUWFJFHSA-N 2 1 294.442 3.948 20 0 CHADMP CCCC[C@H](CC)C[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235176033 1130718658 /nfs/dbraw/zinc/71/86/58/1130718658.db2.gz YXBANSHTHHZJJA-IRXDYDNUSA-N 2 1 266.473 3.811 20 0 CHADMP CCc1cccc(C)c1C[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235177329 1130718814 /nfs/dbraw/zinc/71/88/14/1130718814.db2.gz IEWRJVAAFXLCFD-LJQANCHMSA-N 2 1 286.463 3.666 20 0 CHADMP CCc1cccc(C)c1C[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235177329 1130718820 /nfs/dbraw/zinc/71/88/20/1130718820.db2.gz IEWRJVAAFXLCFD-LJQANCHMSA-N 2 1 286.463 3.666 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235253685 1130727363 /nfs/dbraw/zinc/72/73/63/1130727363.db2.gz DETLZFGQFDBXHY-DSLCMKTCSA-N 2 1 264.457 3.587 20 0 CHADMP c1ccc([C@H]2C[NH2+]C[C@]23CCC[N@@H+]3C[C@H]2CC=CCC2)cc1 ZINC001235248004 1130727393 /nfs/dbraw/zinc/72/73/93/1130727393.db2.gz KWAMAMZQVBKZPE-DFQSSKMNSA-N 2 1 296.458 3.564 20 0 CHADMP C[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)c1cccc2ccccc21 ZINC001235257015 1130730443 /nfs/dbraw/zinc/73/04/43/1130730443.db2.gz WMYAUSKRLFFIST-WRWLIDTKSA-N 2 1 294.442 3.627 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001235396698 1130739343 /nfs/dbraw/zinc/73/93/43/1130739343.db2.gz KWZYQKWINMYWES-OPCNFVSTSA-N 2 1 296.474 3.912 20 0 CHADMP Clc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235426266 1130741510 /nfs/dbraw/zinc/74/15/10/1130741510.db2.gz OISQJDFQAIASOI-CABCVRRESA-N 2 1 292.854 3.552 20 0 CHADMP Clc1ccccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235426269 1130741842 /nfs/dbraw/zinc/74/18/42/1130741842.db2.gz OISQJDFQAIASOI-GJZGRUSLSA-N 2 1 292.854 3.552 20 0 CHADMP C[C@@H](C1CC1)[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000782181770 1130757775 /nfs/dbraw/zinc/75/77/75/1130757775.db2.gz KYSDSGXCHZAJKX-FXAWDEMLSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@@H](C1CC1)[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000782181770 1130757781 /nfs/dbraw/zinc/75/77/81/1130757781.db2.gz KYSDSGXCHZAJKX-FXAWDEMLSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@@H](C1CC1)[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000782181770 1130757788 /nfs/dbraw/zinc/75/77/88/1130757788.db2.gz KYSDSGXCHZAJKX-FXAWDEMLSA-N 2 1 298.474 3.773 20 0 CHADMP C[C@@H](C1CC1)[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000782181770 1130757792 /nfs/dbraw/zinc/75/77/92/1130757792.db2.gz KYSDSGXCHZAJKX-FXAWDEMLSA-N 2 1 298.474 3.773 20 0 CHADMP C[N@@H+](CCC[NH2+]C1CCCCC1)CCCc1ccccc1 ZINC001235669736 1130763831 /nfs/dbraw/zinc/76/38/31/1130763831.db2.gz JFXRONDFVSYOQU-UHFFFAOYSA-N 2 1 288.479 3.863 20 0 CHADMP CCCC[N@@H+](Cc1ccccc1)Cc1cccc(C[NH3+])c1 ZINC001235664356 1130764583 /nfs/dbraw/zinc/76/45/83/1130764583.db2.gz RSDPXGNCKBVRCW-UHFFFAOYSA-N 2 1 282.431 3.948 20 0 CHADMP [NH3+]Cc1cccc(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)c1 ZINC001235675349 1130765730 /nfs/dbraw/zinc/76/57/30/1130765730.db2.gz WFBBYWLHNASRSX-HXUWFJFHSA-N 2 1 294.442 3.600 20 0 CHADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001235675873 1130766409 /nfs/dbraw/zinc/76/64/09/1130766409.db2.gz MSKQZEAERUPTGB-INIZCTEOSA-N 2 1 280.415 3.524 20 0 CHADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001235675337 1130766864 /nfs/dbraw/zinc/76/68/64/1130766864.db2.gz WBDRUWBTRJDFLA-CQSZACIVSA-N 2 1 299.462 3.636 20 0 CHADMP Fc1ccccc1[C@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001235680538 1130767186 /nfs/dbraw/zinc/76/71/86/1130767186.db2.gz TXRYFGVDGPXYAE-MAUKXSAKSA-N 2 1 290.426 3.742 20 0 CHADMP Cc1ccc([C@H]2CCC[N@H+]2CC[C@H]2CCCC[NH2+]2)cc1 ZINC001235679045 1130767646 /nfs/dbraw/zinc/76/76/46/1130767646.db2.gz OFJJMJOVAMCLLW-QZTJIDSGSA-N 2 1 272.436 3.664 20 0 CHADMP FC1(C[N@H+]2CCC[C@H]2c2ccccc2Cl)CC[NH2+]CC1 ZINC001235693825 1130769574 /nfs/dbraw/zinc/76/95/74/1130769574.db2.gz HVCCQEWCXKLZRB-HNNXBMFYSA-N 2 1 296.817 3.569 20 0 CHADMP C[C@H](C[N@H+]1CCCC2(C[NH2+]C2)C1)c1cccc2ccccc21 ZINC001235711485 1130770927 /nfs/dbraw/zinc/77/09/27/1130770927.db2.gz PUEWYVWFYCBXNK-MRXNPFEDSA-N 2 1 294.442 3.629 20 0 CHADMP Cc1ccc(Cl)c(C[N@@H+](C)CCC2CC[NH2+]CC2)c1F ZINC001235716769 1130771527 /nfs/dbraw/zinc/77/15/27/1130771527.db2.gz KMAYHDZLGDRNRK-UHFFFAOYSA-N 2 1 298.833 3.609 20 0 CHADMP c1csc(-c2ccc(C[N@@H+]3CCCC4(C[NH2+]C4)C3)cc2)c1 ZINC001235714500 1130772441 /nfs/dbraw/zinc/77/24/41/1130772441.db2.gz XMGSQXREMWDXNZ-UHFFFAOYSA-N 2 1 298.455 3.601 20 0 CHADMP c1csc(-c2ccc(C[N@H+]3CCCC4(C[NH2+]C4)C3)cc2)c1 ZINC001235714500 1130772444 /nfs/dbraw/zinc/77/24/44/1130772444.db2.gz XMGSQXREMWDXNZ-UHFFFAOYSA-N 2 1 298.455 3.601 20 0 CHADMP CC[N@@H+](Cc1ccccc1-c1ccccc1)C1CC[NH2+]CC1 ZINC001235763009 1130778390 /nfs/dbraw/zinc/77/83/90/1130778390.db2.gz ZWZCNHNIMYFLNF-UHFFFAOYSA-N 2 1 294.442 3.928 20 0 CHADMP CC[N@@H+](Cc1ccc(-c2ccc(C)o2)cc1)C1CC[NH2+]CC1 ZINC001235762486 1130778792 /nfs/dbraw/zinc/77/87/92/1130778792.db2.gz VAWJOTDMVXYCLV-UHFFFAOYSA-N 2 1 298.430 3.829 20 0 CHADMP C[NH2+]C1CC[NH+](Cc2ccc(-c3cccc(C)c3)cc2)CC1 ZINC001235789443 1130779786 /nfs/dbraw/zinc/77/97/86/1130779786.db2.gz QRNIQRVMIVZNPR-UHFFFAOYSA-N 2 1 294.442 3.846 20 0 CHADMP CCC(C)(C)c1ccc(C[NH+]2CCC([NH2+]C)CC2)cc1 ZINC001235789222 1130779884 /nfs/dbraw/zinc/77/98/84/1130779884.db2.gz NEIAPGOMSFANMA-UHFFFAOYSA-N 2 1 274.452 3.558 20 0 CHADMP Clc1ccccc1[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001235826875 1130784022 /nfs/dbraw/zinc/78/40/22/1130784022.db2.gz FBLDPBHXNFZTIU-CABCVRRESA-N 2 1 292.854 3.519 20 0 CHADMP Cc1c(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)cccc1-c1ccccc1 ZINC001235842587 1130786251 /nfs/dbraw/zinc/78/62/51/1130786251.db2.gz PDVLZEALVONRET-QGZVFWFLSA-N 2 1 294.442 3.703 20 0 CHADMP C[N@H+](Cc1ccc(F)c(-c2ccccc2)c1)C[C@H]1CC[NH2+]C1 ZINC001235840508 1130787414 /nfs/dbraw/zinc/78/74/14/1130787414.db2.gz OPUNSLGHPRNHSV-INIZCTEOSA-N 2 1 298.405 3.534 20 0 CHADMP [NH3+]CCCC[N@H+]1CC[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001235882915 1130792976 /nfs/dbraw/zinc/79/29/76/1130792976.db2.gz SQQJCSDLLYKWQE-GFCCVEGCSA-N 2 1 287.234 3.522 20 0 CHADMP CC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813880232 1130793678 /nfs/dbraw/zinc/79/36/78/1130793678.db2.gz DENPZAOPKQIRHQ-UXDRXVOSSA-N 2 1 286.463 3.960 20 0 CHADMP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC001235892471 1130795326 /nfs/dbraw/zinc/79/53/26/1130795326.db2.gz RITUMEBVEZIIJZ-BEFAXECRSA-N 2 1 280.415 3.665 20 0 CHADMP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC001235892471 1130795333 /nfs/dbraw/zinc/79/53/33/1130795333.db2.gz RITUMEBVEZIIJZ-BEFAXECRSA-N 2 1 280.415 3.665 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1C[C@H]([NH3+])CC[C@H]1C ZINC001235900792 1130799776 /nfs/dbraw/zinc/79/97/76/1130799776.db2.gz BTPLTPBMGMELBA-SJLPKXTDSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1C[C@H]([NH3+])CC[C@H]1C ZINC001235900792 1130799780 /nfs/dbraw/zinc/79/97/80/1130799780.db2.gz BTPLTPBMGMELBA-SJLPKXTDSA-N 2 1 294.442 3.974 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000783221758 1130803451 /nfs/dbraw/zinc/80/34/51/1130803451.db2.gz HQGRMELHEZECKZ-MDZRGWNJSA-N 2 1 286.463 3.807 20 0 CHADMP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1cccc2c3ccccc3oc21 ZINC001235906829 1130803785 /nfs/dbraw/zinc/80/37/85/1130803785.db2.gz OVTLRNBVSYZYEZ-UKRRQHHQSA-N 2 1 294.398 3.898 20 0 CHADMP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1cccc2c3ccccc3oc21 ZINC001235906829 1130803790 /nfs/dbraw/zinc/80/37/90/1130803790.db2.gz OVTLRNBVSYZYEZ-UKRRQHHQSA-N 2 1 294.398 3.898 20 0 CHADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1cccc2c3ccccc3oc21 ZINC001235925599 1130805769 /nfs/dbraw/zinc/80/57/69/1130805769.db2.gz WTQQONBHTKMISA-HNNXBMFYSA-N 2 1 294.398 3.899 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235925537 1130805829 /nfs/dbraw/zinc/80/58/29/1130805829.db2.gz TXHYIYRYYWHIDL-HOTGVXAUSA-N 2 1 252.446 3.572 20 0 CHADMP CC(C)c1cc(C[N@@H+]2CCC[C@H]2CC[NH3+])ccc1Cl ZINC001235926253 1130806197 /nfs/dbraw/zinc/80/61/97/1130806197.db2.gz VNMNXAPQXLNVEM-AWEZNQCLSA-N 2 1 280.843 3.777 20 0 CHADMP CC(C)c1cc(C[N@H+]2CCC[C@H]2CC[NH3+])ccc1Cl ZINC001235926253 1130806204 /nfs/dbraw/zinc/80/62/04/1130806204.db2.gz VNMNXAPQXLNVEM-AWEZNQCLSA-N 2 1 280.843 3.777 20 0 CHADMP CC(C)c1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1Cl ZINC001235933955 1130810002 /nfs/dbraw/zinc/81/00/02/1130810002.db2.gz ANAMOFCFVLQOLN-LSDHHAIUSA-N 2 1 292.854 3.505 20 0 CHADMP CC(C)c1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1Cl ZINC001235933955 1130810005 /nfs/dbraw/zinc/81/00/05/1130810005.db2.gz ANAMOFCFVLQOLN-LSDHHAIUSA-N 2 1 292.854 3.505 20 0 CHADMP c1cc2c(cc1C[N@H+]1CC[C@H](C3CCCCC3)C1)CC[NH2+]C2 ZINC001235949547 1130814240 /nfs/dbraw/zinc/81/42/40/1130814240.db2.gz OPRPZKNVKWRAFP-FQEVSTJZSA-N 2 1 298.474 3.735 20 0 CHADMP CCCCc1ccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)s1 ZINC001235950322 1130814324 /nfs/dbraw/zinc/81/43/24/1130814324.db2.gz ARNHRIZWVYSQIV-AWEZNQCLSA-N 2 1 280.481 3.522 20 0 CHADMP Clc1cccc([C@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)c1 ZINC001235949772 1130814538 /nfs/dbraw/zinc/81/45/38/1130814538.db2.gz HQJMTLMNYYSZPW-INIZCTEOSA-N 2 1 292.854 3.519 20 0 CHADMP COC(C)(C)CCC[C@@H](C)CC[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235952428 1130815272 /nfs/dbraw/zinc/81/52/72/1130815272.db2.gz XQNZIJOVSYBHRL-IAGOWNOFSA-N 2 1 298.515 3.539 20 0 CHADMP Cc1c(C)c(C)c(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c(C)c1C ZINC001235956790 1130816961 /nfs/dbraw/zinc/81/69/61/1130816961.db2.gz IIGHFORZUHHXKV-SFHVURJKSA-N 2 1 288.479 3.660 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+](C)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235960109 1130817298 /nfs/dbraw/zinc/81/72/98/1130817298.db2.gz ODMDAPWRYYAZPY-HXUWFJFHSA-N 2 1 294.442 3.915 20 0 CHADMP CCc1ccc(C[N@@H+](C)Cc2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001235960295 1130819230 /nfs/dbraw/zinc/81/92/30/1130819230.db2.gz RCYWVQSVGADMLJ-UHFFFAOYSA-N 2 1 294.442 3.527 20 0 CHADMP CC/C=C\CCC[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235975220 1130822353 /nfs/dbraw/zinc/82/23/53/1130822353.db2.gz RNNCUPLCIVZAGZ-ARJAWSKDSA-N 2 1 298.474 3.870 20 0 CHADMP Cc1c(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)cccc1-c1ccccc1 ZINC001235990954 1130824247 /nfs/dbraw/zinc/82/42/47/1130824247.db2.gz NLKVRGQLEHUKSJ-QUCCMNQESA-N 2 1 292.426 3.585 20 0 CHADMP Cc1c(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)cccc1-c1ccccc1 ZINC001235990954 1130824253 /nfs/dbraw/zinc/82/42/53/1130824253.db2.gz NLKVRGQLEHUKSJ-QUCCMNQESA-N 2 1 292.426 3.585 20 0 CHADMP Cc1ccc(-c2cccc(C[N@@H+]3C[C@H]4CC[C@]4([NH3+])C3)c2)cc1 ZINC001235990151 1130824773 /nfs/dbraw/zinc/82/47/73/1130824773.db2.gz LLJPTLRYALBZBX-UXHICEINSA-N 2 1 292.426 3.585 20 0 CHADMP Cc1ccc(-c2cccc(C[N@H+]3C[C@H]4CC[C@]4([NH3+])C3)c2)cc1 ZINC001235990151 1130824780 /nfs/dbraw/zinc/82/47/80/1130824780.db2.gz LLJPTLRYALBZBX-UXHICEINSA-N 2 1 292.426 3.585 20 0 CHADMP Clc1ccc(Cl)c(C[NH+]2CC3(C2)CCC[NH2+]CC3)c1 ZINC001236008933 1130832716 /nfs/dbraw/zinc/83/27/16/1130832716.db2.gz NQRJYUYKECDIPR-UHFFFAOYSA-N 2 1 299.245 3.569 20 0 CHADMP C[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001236046409 1130837065 /nfs/dbraw/zinc/83/70/65/1130837065.db2.gz GGPOLPFVGNTJHF-QAPCUYQASA-N 2 1 280.415 3.523 20 0 CHADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001236046409 1130837070 /nfs/dbraw/zinc/83/70/70/1130837070.db2.gz GGPOLPFVGNTJHF-QAPCUYQASA-N 2 1 280.415 3.523 20 0 CHADMP CC[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc2c(c1)C[NH2+]C2 ZINC001236058761 1130842957 /nfs/dbraw/zinc/84/29/57/1130842957.db2.gz AXYUDGDZIPWJAQ-FQEVSTJZSA-N 2 1 292.426 3.799 20 0 CHADMP CC[C@@H]1c2ccccc2CC[N@@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC001236061474 1130843663 /nfs/dbraw/zinc/84/36/63/1130843663.db2.gz XUHWEDAFSDBGPN-FUHWJXTLSA-N 2 1 272.436 3.528 20 0 CHADMP CC[C@@H]1c2ccccc2CC[N@@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001236059812 1130843804 /nfs/dbraw/zinc/84/38/04/1130843804.db2.gz MEAANOKKWMEFQO-LJQANCHMSA-N 2 1 298.474 3.776 20 0 CHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001236066017 1130846245 /nfs/dbraw/zinc/84/62/45/1130846245.db2.gz GLWBFPJCEISZEB-OAHLLOKOSA-N 2 1 298.405 3.534 20 0 CHADMP C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3)cc2)CCC[NH2+]1 ZINC001236094402 1130857399 /nfs/dbraw/zinc/85/73/99/1130857399.db2.gz DMLYMYPZQWIBOS-INIZCTEOSA-N 2 1 280.415 3.537 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)cc2)CCC[NH2+]1 ZINC001236094402 1130857406 /nfs/dbraw/zinc/85/74/06/1130857406.db2.gz DMLYMYPZQWIBOS-INIZCTEOSA-N 2 1 280.415 3.537 20 0 CHADMP CSc1ccccc1[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC001236109670 1130866754 /nfs/dbraw/zinc/86/67/54/1130866754.db2.gz VNVLVDJVOLGJEG-GOEBONIOSA-N 2 1 290.476 3.545 20 0 CHADMP CCC[N@@H+](CCCc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001236180487 1130880242 /nfs/dbraw/zinc/88/02/42/1130880242.db2.gz KNXMCSRQWGCDCO-UHFFFAOYSA-N 2 1 294.870 3.737 20 0 CHADMP CCC[N@@H+](CC[C@H](C)c1ccc(C)o1)C1CC[NH2+]CC1 ZINC001236180817 1130880493 /nfs/dbraw/zinc/88/04/93/1130880493.db2.gz OPLLMKYKRAMESM-AWEZNQCLSA-N 2 1 278.440 3.546 20 0 CHADMP CCC[N@@H+](Cc1cc(Cl)ccc1C)C1CC[NH2+]CC1 ZINC001236185142 1130882436 /nfs/dbraw/zinc/88/24/36/1130882436.db2.gz XOQMFDVNSBAXTF-UHFFFAOYSA-N 2 1 280.843 3.612 20 0 CHADMP Cc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c2ccccc12 ZINC001236211970 1130887185 /nfs/dbraw/zinc/88/71/85/1130887185.db2.gz KMBXCXBUBOCCIA-RBUKOAKNSA-N 2 1 282.431 3.850 20 0 CHADMP C[N@H+](Cc1ccc(C(C)(C)C)cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236211414 1130887883 /nfs/dbraw/zinc/88/78/83/1130887883.db2.gz HWMNYBZHMSXAHL-DLBZAZTESA-N 2 1 274.452 3.686 20 0 CHADMP C[N@@H+](Cc1ccc(C(C)(C)C)cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236211414 1130887889 /nfs/dbraw/zinc/88/78/89/1130887889.db2.gz HWMNYBZHMSXAHL-DLBZAZTESA-N 2 1 274.452 3.686 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215709 1130891181 /nfs/dbraw/zinc/89/11/81/1130891181.db2.gz IGGZLRDHXITWJE-OALUTQOASA-N 2 1 282.431 3.850 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc3ccsc3c2)CC1 ZINC001236214763 1130891588 /nfs/dbraw/zinc/89/15/88/1130891588.db2.gz GSKJFJVDZYSINZ-UHFFFAOYSA-N 2 1 288.460 3.864 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2c3ccoc3ccc2F)CC1 ZINC001236216490 1130892640 /nfs/dbraw/zinc/89/26/40/1130892640.db2.gz OICCTIUURAGIDO-UHFFFAOYSA-N 2 1 290.382 3.534 20 0 CHADMP CCCCc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])s1 ZINC001236216876 1130892877 /nfs/dbraw/zinc/89/28/77/1130892877.db2.gz LTLIGZSVDZUFSX-HOTGVXAUSA-N 2 1 280.481 3.792 20 0 CHADMP CCCCc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])s1 ZINC001236216876 1130892885 /nfs/dbraw/zinc/89/28/85/1130892885.db2.gz LTLIGZSVDZUFSX-HOTGVXAUSA-N 2 1 280.481 3.792 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(F)c3ccoc32)CC1 ZINC001236216267 1130894174 /nfs/dbraw/zinc/89/41/74/1130894174.db2.gz WJQWLLVSOMQGKI-UHFFFAOYSA-N 2 1 290.382 3.534 20 0 CHADMP C[N@@H+](Cc1ccc(-c2ccccc2)cc1)C1(C)CC[NH2+]CC1 ZINC001236222508 1130894726 /nfs/dbraw/zinc/89/47/26/1130894726.db2.gz ITJGIMPGPLCSNM-UHFFFAOYSA-N 2 1 294.442 3.928 20 0 CHADMP C[N@@H+](Cc1c[nH]c2cccc(Cl)c12)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236222825 1130894992 /nfs/dbraw/zinc/89/49/92/1130894992.db2.gz LTRVKUANNVZXOO-JOCQHMNTSA-N 2 1 291.826 3.523 20 0 CHADMP C[N@@H+](Cc1c(Cl)cccc1Cl)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236222821 1130895062 /nfs/dbraw/zinc/89/50/62/1130895062.db2.gz LPJWKFSBAQPLNQ-XYPYZODXSA-N 2 1 287.234 3.695 20 0 CHADMP C[N@@H+](Cc1ccc(F)c2ccccc12)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236223254 1130896465 /nfs/dbraw/zinc/89/64/65/1130896465.db2.gz OGXMZQXROPSSBX-SHTZXODSSA-N 2 1 286.394 3.681 20 0 CHADMP C[N@@H+](Cc1ccc(-c2ccccc2)o1)C1(C)CC[NH2+]CC1 ZINC001236227021 1130896854 /nfs/dbraw/zinc/89/68/54/1130896854.db2.gz XPYKTGRTHDGENJ-UHFFFAOYSA-N 2 1 284.403 3.521 20 0 CHADMP CC(C)(C)C[N@@H+](Cc1ccccc1)C1CCC([NH3+])CC1 ZINC001236227490 1130898118 /nfs/dbraw/zinc/89/81/18/1130898118.db2.gz DYQRKVYAMWJCBQ-UHFFFAOYSA-N 2 1 274.452 3.805 20 0 CHADMP CC[N@H+](Cc1ccc(C(C)(C)CC)cc1)C[C@H]1CC[NH2+]C1 ZINC001236407407 1130931005 /nfs/dbraw/zinc/93/10/05/1130931005.db2.gz FAHAZOAMARSDSK-KRWDZBQOSA-N 2 1 288.479 3.806 20 0 CHADMP Cc1c(C)c(C)c(C[N@H+]2CCC[C@H]([NH3+])[C@H]2C)c(C)c1C ZINC001236421396 1130935856 /nfs/dbraw/zinc/93/58/56/1130935856.db2.gz QRRJPLBXVFBYAG-AEFFLSMTSA-N 2 1 274.452 3.540 20 0 CHADMP Cc1c(C)c(C)c(C[N@@H+]2CCC[C@H]([NH3+])[C@H]2C)c(C)c1C ZINC001236421396 1130935860 /nfs/dbraw/zinc/93/58/60/1130935860.db2.gz QRRJPLBXVFBYAG-AEFFLSMTSA-N 2 1 274.452 3.540 20 0 CHADMP Cc1c(C[N@H+]2CCC[C@@H]([NH3+])[C@H]2C)cccc1-c1ccccc1 ZINC001236421628 1130936280 /nfs/dbraw/zinc/93/62/80/1130936280.db2.gz VVWDNHAFEGAHGH-OXQOHEQNSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1c(C[N@@H+]2CCC[C@@H]([NH3+])[C@H]2C)cccc1-c1ccccc1 ZINC001236421628 1130936285 /nfs/dbraw/zinc/93/62/85/1130936285.db2.gz VVWDNHAFEGAHGH-OXQOHEQNSA-N 2 1 294.442 3.974 20 0 CHADMP CCOC(=[NH2+])c1ccc(-c2cccc(C[NH+](C)C)c2)cc1 ZINC001236426156 1130938232 /nfs/dbraw/zinc/93/82/32/1130938232.db2.gz ULRAIORXSVPDQE-UHFFFAOYSA-N 2 1 282.387 3.777 20 0 CHADMP Clc1ccccc1C[N@H+](CCC1CC1)C1CC[NH2+]CC1 ZINC001236451336 1130945536 /nfs/dbraw/zinc/94/55/36/1130945536.db2.gz PGUWQUHQHDHXIQ-UHFFFAOYSA-N 2 1 292.854 3.694 20 0 CHADMP Clc1ccccc1C[N@@H+](CCC1CC1)C1CC[NH2+]CC1 ZINC001236451336 1130945541 /nfs/dbraw/zinc/94/55/41/1130945541.db2.gz PGUWQUHQHDHXIQ-UHFFFAOYSA-N 2 1 292.854 3.694 20 0 CHADMP CC(C)(C)C[N@@H+](Cc1ccc2cc[nH]c2c1)C1CC[NH2+]CC1 ZINC001236456299 1130946009 /nfs/dbraw/zinc/94/60/09/1130946009.db2.gz BCUUPVCYUZBWBK-UHFFFAOYSA-N 2 1 299.462 3.768 20 0 CHADMP Cc1cc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)sc1C ZINC001236459679 1130946080 /nfs/dbraw/zinc/94/60/80/1130946080.db2.gz XGJHERXHWAJLFU-UHFFFAOYSA-N 2 1 294.508 3.965 20 0 CHADMP CC(C)(C)C[N@@H+](CC1CCCCC1)C1CC[NH2+]CC1 ZINC001236455717 1130946596 /nfs/dbraw/zinc/94/65/96/1130946596.db2.gz YDYOKOSDCQOSLE-UHFFFAOYSA-N 2 1 266.473 3.667 20 0 CHADMP CCC[C@H](C)C[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236454241 1130947325 /nfs/dbraw/zinc/94/73/25/1130947325.db2.gz IZHFKEOTGRXLCX-AWEZNQCLSA-N 2 1 254.462 3.523 20 0 CHADMP CC(C)[N@H+](Cc1ccc(F)c2ccoc21)[C@@H]1CCC[NH2+]C1 ZINC001236470893 1130948771 /nfs/dbraw/zinc/94/87/71/1130948771.db2.gz RQKVXCPTVPKDRG-CQSZACIVSA-N 2 1 290.382 3.534 20 0 CHADMP CC(C)[N@@H+](Cc1ccc(F)c2ccoc21)[C@@H]1CCC[NH2+]C1 ZINC001236470893 1130948776 /nfs/dbraw/zinc/94/87/76/1130948776.db2.gz RQKVXCPTVPKDRG-CQSZACIVSA-N 2 1 290.382 3.534 20 0 CHADMP Cc1cc(F)cc(C)c1C[N@@H+](CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236473895 1130949803 /nfs/dbraw/zinc/94/98/03/1130949803.db2.gz IASVIFXPDDTDCS-QGZVFWFLSA-N 2 1 292.442 3.653 20 0 CHADMP Cc1cc(F)cc(C)c1C[N@H+](CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236473895 1130949807 /nfs/dbraw/zinc/94/98/07/1130949807.db2.gz IASVIFXPDDTDCS-QGZVFWFLSA-N 2 1 292.442 3.653 20 0 CHADMP C[NH+]1CCC2(CCC[N@H+]([C@@H]3C=CCCCCC3)C2)CC1 ZINC000815107006 1130962563 /nfs/dbraw/zinc/96/25/63/1130962563.db2.gz IWGWRMBNMAEMNK-QGZVFWFLSA-N 2 1 276.468 3.683 20 0 CHADMP Cc1cccc(C[N@@H+](CC[C@H]2CCCC[NH2+]2)C2CC2)c1C ZINC001236534148 1130967609 /nfs/dbraw/zinc/96/76/09/1130967609.db2.gz IKDGXJHINPGVOX-GOSISDBHSA-N 2 1 286.463 3.800 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(Cl)o2)CC2CCC2)CC1 ZINC001236542043 1130969307 /nfs/dbraw/zinc/96/93/07/1130969307.db2.gz WFTVRMCPLBXUSQ-HDJSIYSDSA-N 2 1 296.842 3.805 20 0 CHADMP CCc1ccc(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236551768 1130973187 /nfs/dbraw/zinc/97/31/87/1130973187.db2.gz NCYXAOYLDLANSC-WGSAOQKQSA-N 2 1 286.463 3.731 20 0 CHADMP CC(C)C[N@@H+](Cc1cc(F)cc(F)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551512 1130973349 /nfs/dbraw/zinc/97/33/49/1130973349.db2.gz QXHGIVNMNCPFCB-QAQDUYKDSA-N 2 1 296.405 3.693 20 0 CHADMP CC(C)C[N@@H+](CCc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236549941 1130973489 /nfs/dbraw/zinc/97/34/89/1130973489.db2.gz DTVUOQQFEKOBBN-IYARVYRRSA-N 2 1 292.442 3.596 20 0 CHADMP Cc1ccc(C)c(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236553320 1130974447 /nfs/dbraw/zinc/97/44/47/1130974447.db2.gz WHPLFXCEDWNBDH-WGSAOQKQSA-N 2 1 286.463 3.785 20 0 CHADMP Cc1ccccc1C[N@H+](C[C@H]1C[C@@H]1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236556552 1130974938 /nfs/dbraw/zinc/97/49/38/1130974938.db2.gz WPADSGHFOFEPHB-NQYYFHDYSA-N 2 1 286.463 3.723 20 0 CHADMP CCC[C@@H](C)C[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236566049 1130976145 /nfs/dbraw/zinc/97/61/45/1130976145.db2.gz ALRDMAREPDRCJJ-BFYDXBDKSA-N 2 1 266.473 3.937 20 0 CHADMP CCCCCC[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236572495 1130978531 /nfs/dbraw/zinc/97/85/31/1130978531.db2.gz QJCNDTXHCJBBCO-KOMQPUFPSA-N 2 1 252.446 3.691 20 0 CHADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001236603887 1130981991 /nfs/dbraw/zinc/98/19/91/1130981991.db2.gz DEYQATGMTOKAGX-LJQANCHMSA-N 2 1 280.415 3.524 20 0 CHADMP Fc1ccc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)cc1Cl ZINC001236634520 1130987044 /nfs/dbraw/zinc/98/70/44/1130987044.db2.gz VGVXVRZPQPCHKK-UHFFFAOYSA-N 2 1 296.817 3.586 20 0 CHADMP Cc1cc(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)sc1C ZINC001236651126 1130988403 /nfs/dbraw/zinc/98/84/03/1130988403.db2.gz AXLODCUXYPCTAN-INIZCTEOSA-N 2 1 292.492 3.862 20 0 CHADMP Cc1cc(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)sc1C ZINC001236651126 1130988406 /nfs/dbraw/zinc/98/84/06/1130988406.db2.gz AXLODCUXYPCTAN-INIZCTEOSA-N 2 1 292.492 3.862 20 0 CHADMP CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)C[C@H]1CC[NH2+]C1 ZINC001236662488 1130991077 /nfs/dbraw/zinc/99/10/77/1130991077.db2.gz JURIWGRVLLWVRY-OALUTQOASA-N 2 1 288.479 3.719 20 0 CHADMP CC[C@@H](C)C[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236741229 1131003468 /nfs/dbraw/zinc/00/34/68/1131003468.db2.gz ANQUFXGYVFGEOQ-ZTFGCOKTSA-N 2 1 292.442 3.944 20 0 CHADMP Cc1ccc(C[N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)o1 ZINC001236767305 1131004281 /nfs/dbraw/zinc/00/42/81/1131004281.db2.gz GUNHIXGWOABDFM-SHTZXODSSA-N 2 1 278.440 3.706 20 0 CHADMP CC(C)(C)C[N@@H+](Cc1ccsc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236769480 1131004663 /nfs/dbraw/zinc/00/46/63/1131004663.db2.gz WEIBKIFNTFSXFK-SHTZXODSSA-N 2 1 280.481 3.866 20 0 CHADMP CCC(CC)[N@@H+](CCc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236783575 1131005679 /nfs/dbraw/zinc/00/56/79/1131005679.db2.gz UXGQRJSVRPBOCQ-UAPYVXQJSA-N 2 1 288.479 3.990 20 0 CHADMP CC(C)c1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1Cl ZINC001236828391 1131015419 /nfs/dbraw/zinc/01/54/19/1131015419.db2.gz IOPSAWYOTJOVCM-JLJPHGGASA-N 2 1 292.854 3.633 20 0 CHADMP CC/C=C\CCCCC[N@H+](CCC)C[C@@H]1CC[NH2+]C1 ZINC001236827859 1131015877 /nfs/dbraw/zinc/01/58/77/1131015877.db2.gz HADBIBNEAHWBFZ-KEGWNNHHSA-N 2 1 266.473 3.835 20 0 CHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(C4CCCCC4)cc3)C[C@@H]12 ZINC001236833752 1131018308 /nfs/dbraw/zinc/01/83/08/1131018308.db2.gz ZRAWGLMCMORGAV-XUVXKRRUSA-N 2 1 298.474 3.903 20 0 CHADMP CCC(CC)[N@@H+](C[C@H]1[C@@H]2C[NH2+]C[C@H]12)[C@H](C)c1ccccc1 ZINC001236858595 1131022616 /nfs/dbraw/zinc/02/26/16/1131022616.db2.gz DGQJUOMRMYYKPF-OAOYMFHYSA-N 2 1 286.463 3.704 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001237060312 1131043438 /nfs/dbraw/zinc/04/34/38/1131043438.db2.gz ZRLZKDIZIKZURR-HXUWFJFHSA-N 2 1 294.442 3.914 20 0 CHADMP C[C@H](CC[N@H+]1CCC[C@@](C)(C[NH3+])C1)CC(C)(C)C ZINC001237056076 1131043984 /nfs/dbraw/zinc/04/39/84/1131043984.db2.gz FXKOWMFEGZVKCF-ZBFHGGJFSA-N 2 1 254.462 3.510 20 0 CHADMP C[C@]1(C[NH3+])CCC[N@@H+](CC2(c3ccccc3)CCCC2)C1 ZINC001237059199 1131044186 /nfs/dbraw/zinc/04/41/86/1131044186.db2.gz RQISVIOXDBQETM-GOSISDBHSA-N 2 1 286.463 3.559 20 0 CHADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c2ccccc12 ZINC001237082790 1131047190 /nfs/dbraw/zinc/04/71/90/1131047190.db2.gz WZZCFBMZTKRRCD-VHRNVKJDSA-N 2 1 298.405 3.681 20 0 CHADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(C4CCC4)cc3)C2)CC1 ZINC001237110525 1131052187 /nfs/dbraw/zinc/05/21/87/1131052187.db2.gz LJUPVVOOGVCOSK-UHFFFAOYSA-N 2 1 298.474 3.872 20 0 CHADMP c1cc2c(cccc2C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)o1 ZINC001237155235 1131060362 /nfs/dbraw/zinc/06/03/62/1131060362.db2.gz HMGRUQXXVUTJMZ-INIZCTEOSA-N 2 1 284.403 3.539 20 0 CHADMP c1cc2c(cccc2C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)o1 ZINC001237155235 1131060367 /nfs/dbraw/zinc/06/03/67/1131060367.db2.gz HMGRUQXXVUTJMZ-INIZCTEOSA-N 2 1 284.403 3.539 20 0 CHADMP C[C@@H]1CCC[C@H](C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)C1 ZINC000798957151 1131064740 /nfs/dbraw/zinc/06/47/40/1131064740.db2.gz WMAUNCXMDHAANI-SJORKVTESA-N 2 1 278.484 3.621 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237375505 1131092523 /nfs/dbraw/zinc/09/25/23/1131092523.db2.gz NDOTWBBVYVDNAY-RCCFBDPRSA-N 2 1 278.484 3.833 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237375505 1131092529 /nfs/dbraw/zinc/09/25/29/1131092529.db2.gz NDOTWBBVYVDNAY-RCCFBDPRSA-N 2 1 278.484 3.833 20 0 CHADMP c1ccc(C2(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)CCCC2)cc1 ZINC001237381236 1131092683 /nfs/dbraw/zinc/09/26/83/1131092683.db2.gz IIISACWTQMMXLP-MJGOQNOKSA-N 2 1 298.474 3.572 20 0 CHADMP CC/C=C\CCCCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237379609 1131092936 /nfs/dbraw/zinc/09/29/36/1131092936.db2.gz BZVTZVLWNFFILY-DSLCMKTCSA-N 2 1 264.457 3.587 20 0 CHADMP Cc1c(Cl)ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1C ZINC001237416035 1131096891 /nfs/dbraw/zinc/09/68/91/1131096891.db2.gz REULXDPRGZFTTH-WBVHZDCISA-N 2 1 292.854 3.531 20 0 CHADMP Cc1c(Cl)ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1C ZINC001237416035 1131096895 /nfs/dbraw/zinc/09/68/95/1131096895.db2.gz REULXDPRGZFTTH-WBVHZDCISA-N 2 1 292.854 3.531 20 0 CHADMP CC(C)(C[NH3+])c1ccc(Nc2ccc3[nH]c[nH+]c3c2)cc1 ZINC001159579492 1131135639 /nfs/dbraw/zinc/13/56/39/1131135639.db2.gz CQJFFMAQKMYOLJ-UHFFFAOYSA-N 2 1 280.375 3.543 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC001116410091 1131144309 /nfs/dbraw/zinc/14/43/09/1131144309.db2.gz SSEOZAXSZDOPBB-DYVFJYSZSA-N 2 1 292.854 3.649 20 0 CHADMP Cc1sccc1C[N@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC001237975291 1131156273 /nfs/dbraw/zinc/15/62/73/1131156273.db2.gz YVGIFMVRAKAQEX-UHFFFAOYSA-N 2 1 297.427 3.874 20 0 CHADMP Cc1c(Cl)ccc(C[N@H+](C)CCC[NH+]2CCCC2)c1C ZINC001238217768 1131183112 /nfs/dbraw/zinc/18/31/12/1131183112.db2.gz CSQNHDDTUZIZNB-UHFFFAOYSA-N 2 1 294.870 3.875 20 0 CHADMP Cc1c(Cl)ccc(C[N@@H+](C)CCC[NH+]2CCCC2)c1C ZINC001238217768 1131183115 /nfs/dbraw/zinc/18/31/15/1131183115.db2.gz CSQNHDDTUZIZNB-UHFFFAOYSA-N 2 1 294.870 3.875 20 0 CHADMP C[C@@H]([NH3+])CCNc1[nH+]ccc2cc(-c3ccc(F)cc3)[nH]c21 ZINC001170889900 1131203033 /nfs/dbraw/zinc/20/30/33/1131203033.db2.gz YNTPFYHNVDFUGQ-LLVKDONJSA-N 2 1 298.365 3.518 20 0 CHADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1cc2cc(C)c(C)cc2o1 ZINC001118059057 1131207958 /nfs/dbraw/zinc/20/79/58/1131207958.db2.gz NCDAIVORNHIUAF-UONOGXRCSA-N 2 1 274.408 3.698 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@H](C)C[C@@H]2C)cc1 ZINC001138547228 1131518445 /nfs/dbraw/zinc/51/84/45/1131518445.db2.gz IEDAFOFSWKVKEN-GJZGRUSLSA-N 2 1 283.419 3.801 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C)cc1 ZINC001138547228 1131518449 /nfs/dbraw/zinc/51/84/49/1131518449.db2.gz IEDAFOFSWKVKEN-GJZGRUSLSA-N 2 1 283.419 3.801 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2C)cc1 ZINC001138547072 1131518823 /nfs/dbraw/zinc/51/88/23/1131518823.db2.gz DPKPYVGFQXNDQZ-GJZGRUSLSA-N 2 1 283.419 3.801 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)cc1 ZINC001138547072 1131518827 /nfs/dbraw/zinc/51/88/27/1131518827.db2.gz DPKPYVGFQXNDQZ-GJZGRUSLSA-N 2 1 283.419 3.801 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)CC2CCCC2)cc1 ZINC001138548280 1131520025 /nfs/dbraw/zinc/52/00/25/1131520025.db2.gz CXSNBMRTTJAWMX-UHFFFAOYSA-N 2 1 283.419 3.803 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)CC2CCCC2)cc1 ZINC001138548280 1131520028 /nfs/dbraw/zinc/52/00/28/1131520028.db2.gz CXSNBMRTTJAWMX-UHFFFAOYSA-N 2 1 283.419 3.803 20 0 CHADMP C[N@@H+](Cc1csc(C2CCCC2)n1)C1CCC([NH3+])CC1 ZINC000844220908 1131537017 /nfs/dbraw/zinc/53/70/17/1131537017.db2.gz OLPMTVWSXVGMHL-UHFFFAOYSA-N 2 1 293.480 3.502 20 0 CHADMP CCCCCC1CCC([N@H+]2CCC[C@@H]([NH3+])CC2)CC1 ZINC001246548426 1131598432 /nfs/dbraw/zinc/59/84/32/1131598432.db2.gz TYUGEMXOJROGGV-AQFXKWCLSA-N 2 1 266.473 3.939 20 0 CHADMP CCCCCC[C@@H](CC)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246555500 1131616341 /nfs/dbraw/zinc/61/63/41/1131616341.db2.gz XQOLSSYTBQWQLE-HZPDHXFCSA-N 2 1 254.462 3.939 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc(CC)c2)CC1 ZINC001144329278 1131618661 /nfs/dbraw/zinc/61/86/61/1131618661.db2.gz UGGBFMOQZSQYRR-UHFFFAOYSA-N 2 1 288.479 3.945 20 0 CHADMP CCCC1CCC([N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC001246559497 1131621568 /nfs/dbraw/zinc/62/15/68/1131621568.db2.gz ANMRFDJWFNXGGN-SOEBMCCKSA-N 2 1 266.473 3.652 20 0 CHADMP CCCCC[C@H](CCC)[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001246564312 1131628466 /nfs/dbraw/zinc/62/84/66/1131628466.db2.gz MNHZRLPECFKWPV-XHSDSOJGSA-N 2 1 254.462 3.795 20 0 CHADMP CCCC[C@H](CC(C)C)[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001246566716 1131633745 /nfs/dbraw/zinc/63/37/45/1131633745.db2.gz UYZUMAIXQIOVLP-BZUAXINKSA-N 2 1 254.462 3.651 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccccc1C(F)F ZINC001139802068 1131637702 /nfs/dbraw/zinc/63/77/02/1131637702.db2.gz IEPLHFFHEYVDME-UHFFFAOYSA-N 2 1 284.394 3.788 20 0 CHADMP CCCC[N@@H+](CC)Cc1ccccc1-n1ccnc1C ZINC001140023824 1131657808 /nfs/dbraw/zinc/65/78/08/1131657808.db2.gz YWOOXIJZGSLARJ-UHFFFAOYSA-N 2 1 271.408 3.803 20 0 CHADMP CCCC[N@H+](CC)Cc1ccccc1-n1cc[nH+]c1C ZINC001140023824 1131657811 /nfs/dbraw/zinc/65/78/11/1131657811.db2.gz YWOOXIJZGSLARJ-UHFFFAOYSA-N 2 1 271.408 3.803 20 0 CHADMP CCCC[N@@H+](CC)Cc1ccccc1-n1cc[nH+]c1C ZINC001140023824 1131657813 /nfs/dbraw/zinc/65/78/13/1131657813.db2.gz YWOOXIJZGSLARJ-UHFFFAOYSA-N 2 1 271.408 3.803 20 0 CHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000845995286 1131679421 /nfs/dbraw/zinc/67/94/21/1131679421.db2.gz BMOCAFIKZNLJQQ-ZIAGYGMSSA-N 2 1 294.405 3.675 20 0 CHADMP CCC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)C1CCC1 ZINC000834522640 1131680833 /nfs/dbraw/zinc/68/08/33/1131680833.db2.gz HMFLKFVLFABYLB-QGZVFWFLSA-N 2 1 298.434 3.634 20 0 CHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)CC(C)(C)C1 ZINC001246581329 1131685144 /nfs/dbraw/zinc/68/51/44/1131685144.db2.gz YWSLJBXHGJARAK-INMHGKMJSA-N 2 1 266.473 3.652 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246584492 1131689149 /nfs/dbraw/zinc/68/91/49/1131689149.db2.gz XAEOWBKCLGRFJQ-JYJNAYRXSA-N 2 1 272.452 3.600 20 0 CHADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246584492 1131689153 /nfs/dbraw/zinc/68/91/53/1131689153.db2.gz XAEOWBKCLGRFJQ-JYJNAYRXSA-N 2 1 272.452 3.600 20 0 CHADMP CCCC[C@H]1C[C@H]([NH+]2CCC(C(F)(F)F)CC2)CC[NH2+]1 ZINC001246597093 1131710808 /nfs/dbraw/zinc/71/08/08/1131710808.db2.gz DUYNMTDTFMVMQD-UONOGXRCSA-N 2 1 292.389 3.572 20 0 CHADMP CC1(C)CCC[C@H]([N@H+]2CCC[C@]23CCC[NH2+]CC3)C1 ZINC001246606929 1131714815 /nfs/dbraw/zinc/71/48/15/1131714815.db2.gz OPRFOYLHVWEUHZ-RDJZCZTQSA-N 2 1 264.457 3.563 20 0 CHADMP CCCC[C@H](CCC)[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001246620410 1131719321 /nfs/dbraw/zinc/71/93/21/1131719321.db2.gz BIVGYISMNIXQMK-HNNXBMFYSA-N 2 1 252.446 3.563 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1CC1 ZINC000834908355 1131730326 /nfs/dbraw/zinc/73/03/26/1131730326.db2.gz DESUMNOLYJACSM-BRWVUGGUSA-N 2 1 278.484 3.809 20 0 CHADMP CC[C@H](C[C@@H](C)CC)[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246628970 1131734391 /nfs/dbraw/zinc/73/43/91/1131734391.db2.gz DAAAHEZDVGHDIJ-GVDBMIGSSA-N 2 1 266.473 3.809 20 0 CHADMP CC[C@H](C[C@@H](C)CC)[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246628970 1131734396 /nfs/dbraw/zinc/73/43/96/1131734396.db2.gz DAAAHEZDVGHDIJ-GVDBMIGSSA-N 2 1 266.473 3.809 20 0 CHADMP CCCC[C@H](CCC)[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246634427 1131741654 /nfs/dbraw/zinc/74/16/54/1131741654.db2.gz NQHUEORKNVLETQ-DLBZAZTESA-N 2 1 266.473 3.953 20 0 CHADMP CCCC[C@H](CCC)[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246634427 1131741657 /nfs/dbraw/zinc/74/16/57/1131741657.db2.gz NQHUEORKNVLETQ-DLBZAZTESA-N 2 1 266.473 3.953 20 0 CHADMP CCCCC[C@H](CC)[N@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001246641088 1131760854 /nfs/dbraw/zinc/76/08/54/1131760854.db2.gz VZRQJDNIDJTGDV-GJZGRUSLSA-N 2 1 288.426 3.666 20 0 CHADMP CCCCC[C@@H](CCC)[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246643565 1131767122 /nfs/dbraw/zinc/76/71/22/1131767122.db2.gz NNUDWGDIMUHJJT-SJORKVTESA-N 2 1 266.473 3.953 20 0 CHADMP CCCCCC[C@@H](CCC)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001246659966 1131778564 /nfs/dbraw/zinc/77/85/64/1131778564.db2.gz CALNMGAAVLPTQR-OAGGEKHMSA-N 2 1 252.446 3.562 20 0 CHADMP CCCCCC[C@@H](CCC)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001246659966 1131778570 /nfs/dbraw/zinc/77/85/70/1131778570.db2.gz CALNMGAAVLPTQR-OAGGEKHMSA-N 2 1 252.446 3.562 20 0 CHADMP CCCC[C@H](CC(C)C)[N@H+]1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001246689308 1131780633 /nfs/dbraw/zinc/78/06/33/1131780633.db2.gz INTDLKHXRBRWHH-ARFHVFGLSA-N 2 1 284.463 3.600 20 0 CHADMP C[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246801023 1131784337 /nfs/dbraw/zinc/78/43/37/1131784337.db2.gz XQHMFVCTZRXVMN-HZPDHXFCSA-N 2 1 294.870 3.939 20 0 CHADMP CCCC[C@H]1C[C@H]([N@@H+](C)CC2CCCCC2)CC[NH2+]1 ZINC001246843471 1131786607 /nfs/dbraw/zinc/78/66/07/1131786607.db2.gz CPGDQZZKGHKDLV-DLBZAZTESA-N 2 1 266.473 3.809 20 0 CHADMP CC[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246845268 1131788872 /nfs/dbraw/zinc/78/88/72/1131788872.db2.gz MDYACTQTMSPKHL-YWVIFJGQSA-N 2 1 280.843 3.691 20 0 CHADMP CC[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246850028 1131789729 /nfs/dbraw/zinc/78/97/29/1131789729.db2.gz SYRFPBGFVILXKP-HZPDHXFCSA-N 2 1 264.457 3.563 20 0 CHADMP C[C@@H](c1ccccc1Cl)[N@H+](C)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246908728 1131806899 /nfs/dbraw/zinc/80/68/99/1131806899.db2.gz MHOYLBKQIZKIRB-UPJWGTAASA-N 2 1 280.843 3.862 20 0 CHADMP C[C@@H](c1ccccc1Cl)[N@@H+](C)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246908728 1131806904 /nfs/dbraw/zinc/80/69/04/1131806904.db2.gz MHOYLBKQIZKIRB-UPJWGTAASA-N 2 1 280.843 3.862 20 0 CHADMP CC1(C)CC[C@H]([N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)C1 ZINC001246937897 1131823134 /nfs/dbraw/zinc/82/31/34/1131823134.db2.gz NKAOUUKGIWWSBA-RDJZCZTQSA-N 2 1 278.484 3.809 20 0 CHADMP CCC[C@@H](C)CC[C@@H](C)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246936740 1131824152 /nfs/dbraw/zinc/82/41/52/1131824152.db2.gz WYIDIASHUYJHRX-VQHPVUNQSA-N 2 1 266.473 3.523 20 0 CHADMP C[N@@H+](Cc1c[nH]c2ccncc12)[C@@H]1CCc2ccccc21 ZINC001140806927 1131930128 /nfs/dbraw/zinc/93/01/28/1131930128.db2.gz XTJSXLJVOINCIC-GOSISDBHSA-N 2 1 277.371 3.682 20 0 CHADMP C[N@H+](Cc1cnc2cc[nH]cc1-2)[C@@H]1CCc2ccccc21 ZINC001140806927 1131930132 /nfs/dbraw/zinc/93/01/32/1131930132.db2.gz XTJSXLJVOINCIC-GOSISDBHSA-N 2 1 277.371 3.682 20 0 CHADMP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)[C@@H]1CCc2ccccc21 ZINC001140806927 1131930147 /nfs/dbraw/zinc/93/01/47/1131930147.db2.gz XTJSXLJVOINCIC-GOSISDBHSA-N 2 1 277.371 3.682 20 0 CHADMP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)[C@@H]1CCc2ccccc21 ZINC001140806927 1131930153 /nfs/dbraw/zinc/93/01/53/1131930153.db2.gz XTJSXLJVOINCIC-GOSISDBHSA-N 2 1 277.371 3.682 20 0 CHADMP c1[nH]c2ccncc2c1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001140807096 1131930952 /nfs/dbraw/zinc/93/09/52/1131930952.db2.gz LTHHTYCRGDVVQS-INIZCTEOSA-N 2 1 291.398 3.628 20 0 CHADMP c1nc2cc[nH]cc-2c1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001140807096 1131930960 /nfs/dbraw/zinc/93/09/60/1131930960.db2.gz LTHHTYCRGDVVQS-INIZCTEOSA-N 2 1 291.398 3.628 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001140807096 1131930968 /nfs/dbraw/zinc/93/09/68/1131930968.db2.gz LTHHTYCRGDVVQS-INIZCTEOSA-N 2 1 291.398 3.628 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001140807096 1131930976 /nfs/dbraw/zinc/93/09/76/1131930976.db2.gz LTHHTYCRGDVVQS-INIZCTEOSA-N 2 1 291.398 3.628 20 0 CHADMP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CCC1 ZINC000716634469 1132028669 /nfs/dbraw/zinc/02/86/69/1132028669.db2.gz BDVIMWUFTWKQQP-UUXHPUJUSA-N 2 1 298.474 3.818 20 0 CHADMP C[NH+]1C(C)(C)CC([NH2+]C(C)(C)c2cccnc2)CC1(C)C ZINC001171613701 1132065063 /nfs/dbraw/zinc/06/50/63/1132065063.db2.gz NQRQDXLTULOVSC-UHFFFAOYSA-N 2 1 289.467 3.558 20 0 CHADMP Cc1cc(F)cc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171621580 1132066028 /nfs/dbraw/zinc/06/60/28/1132066028.db2.gz NNVYHGJACXEYJW-UHFFFAOYSA-N 2 1 292.442 3.875 20 0 CHADMP Cc1cccc([C@@H](C)[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)n1 ZINC001171623059 1132066860 /nfs/dbraw/zinc/06/68/60/1132066860.db2.gz IZCZDLGDJMZAKL-CQSZACIVSA-N 2 1 289.467 3.692 20 0 CHADMP Cc1ccc(CC[C@@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001171657563 1132068977 /nfs/dbraw/zinc/06/89/77/1132068977.db2.gz ILDUSPGAHXLGTQ-OQIJWPOYSA-N 2 1 286.463 3.531 20 0 CHADMP Cc1ccc(CC[C@@H](C)[N@H+](CC[NH3+])Cc2ccccc2)cc1 ZINC001171654770 1132069198 /nfs/dbraw/zinc/06/91/98/1132069198.db2.gz ANRJCTOYTDCMGI-GOSISDBHSA-N 2 1 296.458 3.777 20 0 CHADMP Cc1ccc(CC[C@@H](C)[N@@H+](CC[NH3+])Cc2ccccc2)cc1 ZINC001171654770 1132069205 /nfs/dbraw/zinc/06/92/05/1132069205.db2.gz ANRJCTOYTDCMGI-GOSISDBHSA-N 2 1 296.458 3.777 20 0 CHADMP C[C@H]1CCCCC[N@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171638499 1132080280 /nfs/dbraw/zinc/08/02/80/1132080280.db2.gz ZOTHTKKZWXCENH-AWEZNQCLSA-N 2 1 266.473 3.902 20 0 CHADMP C[N@@H+](C1CCCC1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171636972 1132082403 /nfs/dbraw/zinc/08/24/03/1132082403.db2.gz KZZJJEDEEOMCLL-UHFFFAOYSA-N 2 1 252.446 3.512 20 0 CHADMP C[C@H]1CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976145 1132118508 /nfs/dbraw/zinc/11/85/08/1132118508.db2.gz INRFGAHXRJFQOA-WMZOPIPTSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976145 1132118513 /nfs/dbraw/zinc/11/85/13/1132118513.db2.gz INRFGAHXRJFQOA-WMZOPIPTSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976145 1132118519 /nfs/dbraw/zinc/11/85/19/1132118519.db2.gz INRFGAHXRJFQOA-WMZOPIPTSA-N 2 1 286.463 3.771 20 0 CHADMP C[C@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976145 1132118524 /nfs/dbraw/zinc/11/85/24/1132118524.db2.gz INRFGAHXRJFQOA-WMZOPIPTSA-N 2 1 286.463 3.771 20 0 CHADMP CC1(C)C[C@H]([NH+]2CC3(CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171982345 1132120069 /nfs/dbraw/zinc/12/00/69/1132120069.db2.gz QYFOQDKHTVDDBQ-GOSISDBHSA-N 2 1 298.474 3.916 20 0 CHADMP C[N@H+](CC1CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172080324 1132123432 /nfs/dbraw/zinc/12/34/32/1132123432.db2.gz SZVYTHRXVFDEAA-PMOLBWCYSA-N 2 1 298.474 3.914 20 0 CHADMP C[N@@H+](CC1CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172080324 1132123434 /nfs/dbraw/zinc/12/34/34/1132123434.db2.gz SZVYTHRXVFDEAA-PMOLBWCYSA-N 2 1 298.474 3.914 20 0 CHADMP C[NH+](CC1CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172080324 1132123435 /nfs/dbraw/zinc/12/34/35/1132123435.db2.gz SZVYTHRXVFDEAA-PMOLBWCYSA-N 2 1 298.474 3.914 20 0 CHADMP C[NH+](CC1CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172080324 1132123436 /nfs/dbraw/zinc/12/34/36/1132123436.db2.gz SZVYTHRXVFDEAA-PMOLBWCYSA-N 2 1 298.474 3.914 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(F)cc1Cl)C2 ZINC001172101671 1132123967 /nfs/dbraw/zinc/12/39/67/1132123967.db2.gz HLZSACXWJWZPLR-QDMKHBRRSA-N 2 1 296.817 3.584 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(F)cc1Cl)C2 ZINC001172101671 1132123972 /nfs/dbraw/zinc/12/39/72/1132123972.db2.gz HLZSACXWJWZPLR-QDMKHBRRSA-N 2 1 296.817 3.584 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]C2CCC2)C3)cc1 ZINC001172063771 1132125582 /nfs/dbraw/zinc/12/55/82/1132125582.db2.gz CJGATUMCXNABKT-REPLKXPHSA-N 2 1 284.447 3.714 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H](C3CCCCC3)C1)C2 ZINC001172127609 1132126306 /nfs/dbraw/zinc/12/63/06/1132126306.db2.gz JVSRBAMZAZRLMN-INDMIFKZSA-N 2 1 290.495 3.904 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H](C3CCCCC3)C1)C2 ZINC001172127609 1132126308 /nfs/dbraw/zinc/12/63/08/1132126308.db2.gz JVSRBAMZAZRLMN-INDMIFKZSA-N 2 1 290.495 3.904 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@H](C3CCCCC3)C1)C2 ZINC001172127609 1132126311 /nfs/dbraw/zinc/12/63/11/1132126311.db2.gz JVSRBAMZAZRLMN-INDMIFKZSA-N 2 1 290.495 3.904 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@H](C3CCCCC3)C1)C2 ZINC001172127609 1132126312 /nfs/dbraw/zinc/12/63/12/1132126312.db2.gz JVSRBAMZAZRLMN-INDMIFKZSA-N 2 1 290.495 3.904 20 0 CHADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC001172102618 1132127872 /nfs/dbraw/zinc/12/78/72/1132127872.db2.gz NNDZBMFBFDMWMQ-XMTFNYHQSA-N 2 1 272.436 3.743 20 0 CHADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001172102618 1132127875 /nfs/dbraw/zinc/12/78/75/1132127875.db2.gz NNDZBMFBFDMWMQ-XMTFNYHQSA-N 2 1 272.436 3.743 20 0 CHADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(F)c1 ZINC001172107592 1132130034 /nfs/dbraw/zinc/13/00/34/1132130034.db2.gz FPFSCUJUAXIAIS-XMTFNYHQSA-N 2 1 290.426 3.882 20 0 CHADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC001172107592 1132130039 /nfs/dbraw/zinc/13/00/39/1132130039.db2.gz FPFSCUJUAXIAIS-XMTFNYHQSA-N 2 1 290.426 3.882 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1ccc(Cl)s1)C2 ZINC001172110885 1132130436 /nfs/dbraw/zinc/13/04/36/1132130436.db2.gz QPADOUXWCPHFQL-CLLJXQQHSA-N 2 1 298.883 3.549 20 0 CHADMP CSc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172103470 1132130471 /nfs/dbraw/zinc/13/04/71/1132130471.db2.gz USSAUVQRVZJCLG-MUJYYYPQSA-N 2 1 290.476 3.513 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]1c1cccs1)C2 ZINC001172121544 1132136002 /nfs/dbraw/zinc/13/60/02/1132136002.db2.gz KOFDEEYKRPKWDG-JJXSEGSLSA-N 2 1 290.476 3.900 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]1c1cccs1)C2 ZINC001172121544 1132136006 /nfs/dbraw/zinc/13/60/06/1132136006.db2.gz KOFDEEYKRPKWDG-JJXSEGSLSA-N 2 1 290.476 3.900 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H]1c1cccs1)C2 ZINC001172121544 1132136011 /nfs/dbraw/zinc/13/60/11/1132136011.db2.gz KOFDEEYKRPKWDG-JJXSEGSLSA-N 2 1 290.476 3.900 20 0 CHADMP C[C@@H]1CC[C@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H]1C ZINC001172372610 1132167001 /nfs/dbraw/zinc/16/70/01/1132167001.db2.gz YJFOXJNXVGQRFK-RKYPPNDESA-N 2 1 278.484 3.936 20 0 CHADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC001172375416 1132168768 /nfs/dbraw/zinc/16/87/68/1132168768.db2.gz UPVBPIHBYCBFAY-NUJGCVRESA-N 2 1 280.500 3.863 20 0 CHADMP CCCCCC[C@H](CCC)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001172380182 1132171022 /nfs/dbraw/zinc/17/10/22/1132171022.db2.gz ZPEYSDMHRSRTLL-CVEARBPZSA-N 2 1 254.462 3.667 20 0 CHADMP CC[C@@H](C)OCC[C@H](C)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172327933 1132171207 /nfs/dbraw/zinc/17/12/07/1132171207.db2.gz FYWZBEYFTPHRRS-DFGXFYAUSA-N 2 1 296.499 3.705 20 0 CHADMP CCOCC[C@H](C)[N@@H+](C(CC)CC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172415435 1132202340 /nfs/dbraw/zinc/20/23/40/1132202340.db2.gz ZIFQYLWCCZGTJL-ZOBUZTSGSA-N 2 1 284.488 3.562 20 0 CHADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H](CC)CC(C)C)C1 ZINC001172394380 1132218805 /nfs/dbraw/zinc/21/88/05/1132218805.db2.gz SJESYVJEBPEGFO-GJZGRUSLSA-N 2 1 254.462 3.664 20 0 CHADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H](CC)CC(C)C)C1 ZINC001172394380 1132218811 /nfs/dbraw/zinc/21/88/11/1132218811.db2.gz SJESYVJEBPEGFO-GJZGRUSLSA-N 2 1 254.462 3.664 20 0 CHADMP CC[C@@H](CC(C)C)[N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172398812 1132221383 /nfs/dbraw/zinc/22/13/83/1132221383.db2.gz ICQMQXLFSXLZJT-JYJNAYRXSA-N 2 1 254.462 3.791 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172559507 1132268857 /nfs/dbraw/zinc/26/88/57/1132268857.db2.gz MJZRVLHNGOQYGQ-WAPOTWQKSA-N 2 1 298.474 3.928 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172559507 1132268860 /nfs/dbraw/zinc/26/88/60/1132268860.db2.gz MJZRVLHNGOQYGQ-WAPOTWQKSA-N 2 1 298.474 3.928 20 0 CHADMP C[N@@H+](C1CC1)C1CC[NH+]([C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172567409 1132273251 /nfs/dbraw/zinc/27/32/51/1132273251.db2.gz DCGVFSMUEKYODC-XLIONFOSSA-N 2 1 298.474 3.881 20 0 CHADMP CCC[N@@H+](CCC[NH3+])[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172538835 1132275804 /nfs/dbraw/zinc/27/58/04/1132275804.db2.gz UQNFAHMBDANJFQ-MSOLQXFVSA-N 2 1 274.452 3.774 20 0 CHADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172541771 1132277320 /nfs/dbraw/zinc/27/73/20/1132277320.db2.gz DRBXPIDCIHHWSM-QYZOEREBSA-N 2 1 286.463 3.787 20 0 CHADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CCC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172548314 1132280210 /nfs/dbraw/zinc/28/02/10/1132280210.db2.gz CBIQNDSYFHPQDJ-HSALFYBXSA-N 2 1 298.474 3.740 20 0 CHADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CCC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172548314 1132280215 /nfs/dbraw/zinc/28/02/15/1132280215.db2.gz CBIQNDSYFHPQDJ-HSALFYBXSA-N 2 1 298.474 3.740 20 0 CHADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3CCC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172548314 1132280218 /nfs/dbraw/zinc/28/02/18/1132280218.db2.gz CBIQNDSYFHPQDJ-HSALFYBXSA-N 2 1 298.474 3.740 20 0 CHADMP [NH3+]CCCc1[nH+]ccn1[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172547600 1132280887 /nfs/dbraw/zinc/28/08/87/1132280887.db2.gz WGFUJXCDCOQART-SJORKVTESA-N 2 1 283.419 3.673 20 0 CHADMP C[N@@H+](CCC[NH+]1CCCC1)C1CCC2(CCCC2)CC1 ZINC001172728965 1132302235 /nfs/dbraw/zinc/30/22/35/1132302235.db2.gz NBMYDDFDKZDZRP-UHFFFAOYSA-N 2 1 278.484 3.907 20 0 CHADMP COc1cc[nH+]c(Nc2ccc(C3CC[NH+](C)CC3)cc2)c1 ZINC001212687983 1132350305 /nfs/dbraw/zinc/35/03/05/1132350305.db2.gz YKCUSUZDFPHBNN-UHFFFAOYSA-N 2 1 297.402 3.643 20 0 CHADMP CCCCc1ccc(C[N@@H+](CC)CCn2ccnc2)cc1 ZINC001231781084 1132358880 /nfs/dbraw/zinc/35/88/80/1132358880.db2.gz CERDZAXKTYYSNW-UHFFFAOYSA-N 2 1 285.435 3.748 20 0 CHADMP CC(C)c1ccccc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001231875379 1132388541 /nfs/dbraw/zinc/38/85/41/1132388541.db2.gz SNWNBNMMNAVHSP-UHFFFAOYSA-N 2 1 286.463 3.870 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H](C)[C@H]2C)CC1 ZINC001173112139 1132393350 /nfs/dbraw/zinc/39/33/50/1132393350.db2.gz QZZZTGQEPPLMII-NJINODPHSA-N 2 1 266.473 3.760 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](C)CC2)CC1 ZINC001173109955 1132393376 /nfs/dbraw/zinc/39/33/76/1132393376.db2.gz LZUQWRQZEYCPNS-KLAILNCOSA-N 2 1 266.473 3.761 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCC(F)(F)[C@@H](C)C2)CC1 ZINC001173110123 1132394240 /nfs/dbraw/zinc/39/42/40/1132394240.db2.gz PDLHGCUNZJHCOJ-NFOMZHRRSA-N 2 1 288.426 3.617 20 0 CHADMP CC[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1ccccc1 ZINC001232011966 1132410603 /nfs/dbraw/zinc/41/06/03/1132410603.db2.gz QUMSYJUBBYCHOK-UHFFFAOYSA-N 2 1 265.360 3.585 20 0 CHADMP CCCC[C@H](CC(C)C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001173248056 1132418648 /nfs/dbraw/zinc/41/86/48/1132418648.db2.gz BMJKQHQAOUCZOW-HZPDHXFCSA-N 2 1 254.462 3.523 20 0 CHADMP COc1ccccc1[C@@H]1CCC[N@H+]1CCCCCCC[NH3+] ZINC000842471802 1132433328 /nfs/dbraw/zinc/43/33/28/1132433328.db2.gz AYFPWGZDKFGSTH-KRWDZBQOSA-N 2 1 290.451 3.741 20 0 CHADMP CC[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)C1 ZINC001173269033 1132434428 /nfs/dbraw/zinc/43/44/28/1132434428.db2.gz FSFZCJQNLGOCLI-RHSMWYFYSA-N 2 1 290.426 3.654 20 0 CHADMP CC[C@@H]1CC[C@H]([N@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])C1 ZINC001173272851 1132437557 /nfs/dbraw/zinc/43/75/57/1132437557.db2.gz LNLCIFRWRUKATM-JZXOWHBKSA-N 2 1 274.452 3.662 20 0 CHADMP CCSC[C@@H](C)[N@@H+](C(CC)CC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173295936 1132444375 /nfs/dbraw/zinc/44/43/75/1132444375.db2.gz OUDFYVOMTBBREO-IIAWOOMASA-N 2 1 286.529 3.889 20 0 CHADMP CC[C@@H]1CC[C@@H](N(c2cccc(C)[nH+]2)C2CC[NH2+]CC2)C1 ZINC001173284466 1132456320 /nfs/dbraw/zinc/45/63/20/1132456320.db2.gz POTSUCGMWMGXMV-NVXWUHKLSA-N 2 1 287.451 3.527 20 0 CHADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCCC4(CCCCC4)C3)C[C@@H]2C1 ZINC001173350495 1132475501 /nfs/dbraw/zinc/47/55/01/1132475501.db2.gz WDPDTCLMKSBYLO-KSZLIROESA-N 2 1 290.495 3.763 20 0 CHADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H]3CCCC4(CCCCC4)C3)C[C@@H]2C1 ZINC001173350495 1132475506 /nfs/dbraw/zinc/47/55/06/1132475506.db2.gz WDPDTCLMKSBYLO-KSZLIROESA-N 2 1 290.495 3.763 20 0 CHADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCCC4(CCCCC4)C3)C[C@@H]2C1 ZINC001173350495 1132475511 /nfs/dbraw/zinc/47/55/11/1132475511.db2.gz WDPDTCLMKSBYLO-KSZLIROESA-N 2 1 290.495 3.763 20 0 CHADMP Cc1ccc2c(C)cc(N[C@@H]3CCC[C@H]([NH3+])C3)[nH+]c2c1C ZINC001154988120 1132635369 /nfs/dbraw/zinc/63/53/69/1132635369.db2.gz OJFVXMUECPYTLE-LSDHHAIUSA-N 2 1 283.419 3.842 20 0 CHADMP Cc1cccc2c1cc[nH+]c2NC[C@H]1CCC[NH2+]C[C@H]1C ZINC001155025336 1132636563 /nfs/dbraw/zinc/63/65/63/1132636563.db2.gz NLKZONGXSVWZMX-HUUCEWRRSA-N 2 1 283.419 3.591 20 0 CHADMP Cc1cccc2cc[nH+]c(NCC[C@@H]3CCC[N@@H+](C)C3)c12 ZINC001156386553 1132690060 /nfs/dbraw/zinc/69/00/60/1132690060.db2.gz XQDNWLGRZVONIY-HNNXBMFYSA-N 2 1 283.419 3.687 20 0 CHADMP Cc1cccc2cc[nH+]c(NCC[C@@H]3CCC[N@H+](C)C3)c12 ZINC001156386553 1132690063 /nfs/dbraw/zinc/69/00/63/1132690063.db2.gz XQDNWLGRZVONIY-HNNXBMFYSA-N 2 1 283.419 3.687 20 0 CHADMP c1cc2c(c(Nc3ccc4c[nH+]ccc4c3)c1)C[NH2+]C2 ZINC001159767160 1132905960 /nfs/dbraw/zinc/90/59/60/1132905960.db2.gz MHPHXDAGHUNGAE-UHFFFAOYSA-N 2 1 261.328 3.582 20 0 CHADMP Cc1ccc2cc[nH+]c(NCc3ccccc3C[NH3+])c2c1 ZINC001160907686 1132986673 /nfs/dbraw/zinc/98/66/73/1132986673.db2.gz ZOZZMGSXAWWYFV-UHFFFAOYSA-N 2 1 277.371 3.614 20 0 CHADMP CC(C)C[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC000299822549 1132992461 /nfs/dbraw/zinc/99/24/61/1132992461.db2.gz AJOIBIIICFESCC-WJFTUGDTSA-N 2 1 288.479 3.537 20 0 CHADMP CC(C)C[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC000299822549 1132992464 /nfs/dbraw/zinc/99/24/64/1132992464.db2.gz AJOIBIIICFESCC-WJFTUGDTSA-N 2 1 288.479 3.537 20 0 CHADMP CC(C)C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000299822549 1132992467 /nfs/dbraw/zinc/99/24/67/1132992467.db2.gz AJOIBIIICFESCC-WJFTUGDTSA-N 2 1 288.479 3.537 20 0 CHADMP CC(C)C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000299822549 1132992471 /nfs/dbraw/zinc/99/24/71/1132992471.db2.gz AJOIBIIICFESCC-WJFTUGDTSA-N 2 1 288.479 3.537 20 0 CHADMP Cc1cc2[nH]ccc2c(N[C@H]2CC[N@@H+](CC3CCCC3)C2)[nH+]1 ZINC001161186537 1132995063 /nfs/dbraw/zinc/99/50/63/1132995063.db2.gz OKUUZOSVHAFABT-HNNXBMFYSA-N 2 1 298.434 3.548 20 0 CHADMP c1cc(C2CC2)cc(NCC2CC[NH+](CC3CCC3)CC2)[nH+]1 ZINC001161233075 1132995102 /nfs/dbraw/zinc/99/51/02/1132995102.db2.gz HWCBVFVBRPVCNM-UHFFFAOYSA-N 2 1 299.462 3.883 20 0 CHADMP Cc1ccc2c(C)cc(N[C@H]3CCC[C@@H]([NH3+])C3)[nH+]c2c1 ZINC001162396366 1133074028 /nfs/dbraw/zinc/07/40/28/1133074028.db2.gz ZAHIRQIJFMRWAZ-KGLIPLIRSA-N 2 1 269.392 3.533 20 0 CHADMP Cc1cc[nH+]c(NC2CC[NH+](C[C@H]3CC=CCC3)CC2)c1 ZINC001163314542 1133141721 /nfs/dbraw/zinc/14/17/21/1133141721.db2.gz VXPADGPUEVSLNH-INIZCTEOSA-N 2 1 285.435 3.623 20 0 CHADMP Cc1cc(C)c(C[N@@H+](C)CCC[NH+]2CCCC2)c(C)c1 ZINC001203745049 1133363351 /nfs/dbraw/zinc/36/33/51/1133363351.db2.gz LKMDJXHEAFUWSD-UHFFFAOYSA-N 2 1 274.452 3.530 20 0 CHADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc4ccccc4c3)C2)CC1 ZINC001203999837 1133397381 /nfs/dbraw/zinc/39/73/81/1133397381.db2.gz ODLMJSWYUVSQHZ-UHFFFAOYSA-N 2 1 294.442 3.758 20 0 CHADMP c1ccc2cc(C[NH+]3CCC([NH+]4CCC4)CC3)ccc2c1 ZINC001204002742 1133397695 /nfs/dbraw/zinc/39/76/95/1133397695.db2.gz YDYOPSLWHMPNGP-UHFFFAOYSA-N 2 1 280.415 3.510 20 0 CHADMP CCc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)o1 ZINC001204392549 1133441690 /nfs/dbraw/zinc/44/16/90/1133441690.db2.gz HLKJEMAVZRZKNR-INIZCTEOSA-N 2 1 290.451 3.682 20 0 CHADMP CCc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)o1 ZINC001204392549 1133441692 /nfs/dbraw/zinc/44/16/92/1133441692.db2.gz HLKJEMAVZRZKNR-INIZCTEOSA-N 2 1 290.451 3.682 20 0 CHADMP Cc1cc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)oc1C ZINC001204534235 1133460041 /nfs/dbraw/zinc/46/00/41/1133460041.db2.gz WUNVZWPBHWMRFJ-DLBZAZTESA-N 2 1 290.451 3.735 20 0 CHADMP Cc1cc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)oc1C ZINC001204534235 1133460046 /nfs/dbraw/zinc/46/00/46/1133460046.db2.gz WUNVZWPBHWMRFJ-DLBZAZTESA-N 2 1 290.451 3.735 20 0 CHADMP C[C@]1([NH3+])CC[N@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC001204782258 1133485808 /nfs/dbraw/zinc/48/58/08/1133485808.db2.gz BJCKNUSESSBTRP-SFHVURJKSA-N 2 1 280.371 3.509 20 0 CHADMP C[C@]1([NH3+])CC[N@@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC001204782258 1133485811 /nfs/dbraw/zinc/48/58/11/1133485811.db2.gz BJCKNUSESSBTRP-SFHVURJKSA-N 2 1 280.371 3.509 20 0 CHADMP CC(C)[NH2+]C1CC[NH+]([C@H](C)c2nccc3ccccc32)CC1 ZINC001204915826 1133499334 /nfs/dbraw/zinc/49/93/34/1133499334.db2.gz MIBZLCUZBBGWNF-OAHLLOKOSA-N 2 1 297.446 3.758 20 0 CHADMP Cc1c(C)c(C)c(C[N@@H+]2CCCC[C@H]2C[NH3+])c(C)c1C ZINC001204933430 1133501982 /nfs/dbraw/zinc/50/19/82/1133501982.db2.gz TYSAIPATYBKZTA-KRWDZBQOSA-N 2 1 274.452 3.542 20 0 CHADMP Cc1c(C)c(C)c(C[N@H+]2CCCC[C@H]2C[NH3+])c(C)c1C ZINC001204933430 1133501984 /nfs/dbraw/zinc/50/19/84/1133501984.db2.gz TYSAIPATYBKZTA-KRWDZBQOSA-N 2 1 274.452 3.542 20 0 CHADMP C[C@@H](C[N@H+]1CCC[C@H]([NH3+])CC1)c1cccc2ccccc21 ZINC001205094568 1133528924 /nfs/dbraw/zinc/52/89/24/1133528924.db2.gz MZAINSWHSNCAGU-RDJZCZTQSA-N 2 1 282.431 3.757 20 0 CHADMP [NH3+]Cc1ccc(C[N@H+]2CCCC[C@H]2c2ccccc2)cc1 ZINC001205170829 1133540568 /nfs/dbraw/zinc/54/05/68/1133540568.db2.gz FXPXYDJENNVQMM-IBGZPJMESA-N 2 1 280.415 3.873 20 0 CHADMP CC(C)=CCCC1=CC[C@@H](C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)CC1 ZINC001205171143 1133541102 /nfs/dbraw/zinc/54/11/02/1133541102.db2.gz LEKJLOMJEGASQT-KBAYOESNSA-N 2 1 276.468 3.881 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205255492 1133549656 /nfs/dbraw/zinc/54/96/56/1133549656.db2.gz JMTGJCFPRYGUNC-SJORKVTESA-N 2 1 266.473 3.962 20 0 CHADMP CC(C)Cc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1 ZINC001205280746 1133554813 /nfs/dbraw/zinc/55/48/13/1133554813.db2.gz HSMKJQXJZKVBIJ-SFHVURJKSA-N 2 1 274.452 3.588 20 0 CHADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc3ccsc3c2)CC1 ZINC001205281520 1133555094 /nfs/dbraw/zinc/55/50/94/1133555094.db2.gz UIXATDJABFCJAS-INIZCTEOSA-N 2 1 274.433 3.605 20 0 CHADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205296201 1133555921 /nfs/dbraw/zinc/55/59/21/1133555921.db2.gz ITFUAHIOUPJRRA-GVDBMIGSSA-N 2 1 298.515 3.525 20 0 CHADMP C[C@H](C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)c1cccc2ccccc21 ZINC001205296077 1133556252 /nfs/dbraw/zinc/55/62/52/1133556252.db2.gz GEVJZTLDRKQFBH-JZXOWHBKSA-N 2 1 296.458 3.860 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205305005 1133556546 /nfs/dbraw/zinc/55/65/46/1133556546.db2.gz QMGOSBITWQJQGG-GXTWGEPZSA-N 2 1 288.460 3.626 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2)C[C@H]1C[NH3+] ZINC001205305033 1133558212 /nfs/dbraw/zinc/55/82/12/1133558212.db2.gz QOTXRWUJYAUALK-OXJNMPFZSA-N 2 1 294.442 3.770 20 0 CHADMP Cc1ccc(F)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1Cl ZINC001205617233 1133594949 /nfs/dbraw/zinc/59/49/49/1133594949.db2.gz INOPYZKAIWAQLW-YPMHNXCESA-N 2 1 298.833 3.594 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)CC[C@H]1C[NH3+] ZINC001205639174 1133597791 /nfs/dbraw/zinc/59/77/91/1133597791.db2.gz WYKNWJHCXXXZMY-RDJZCZTQSA-N 2 1 298.430 3.753 20 0 CHADMP CCc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)ccc1Cl ZINC001205652450 1133600410 /nfs/dbraw/zinc/60/04/10/1133600410.db2.gz PQKZGMZQYZULPK-BBRMVZONSA-N 2 1 294.870 3.709 20 0 CHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1CC=CCC1 ZINC001205677610 1133601866 /nfs/dbraw/zinc/60/18/66/1133601866.db2.gz DEYUJTRWGVTOKX-QGZVFWFLSA-N 2 1 286.463 3.926 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H](C)c1ccc(F)cc1 ZINC001205696647 1133604023 /nfs/dbraw/zinc/60/40/23/1133604023.db2.gz LYJVPBBKKNIXOV-HNNXBMFYSA-N 2 1 280.431 3.593 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H](C)CC[C@@H]3CN)cc2)o1 ZINC001205830491 1133620023 /nfs/dbraw/zinc/62/00/23/1133620023.db2.gz STSKLRABHYASGL-RDTXWAMCSA-N 2 1 298.430 3.814 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@H](C)CC[C@@H]3CN)cc2)o1 ZINC001205830491 1133620025 /nfs/dbraw/zinc/62/00/25/1133620025.db2.gz STSKLRABHYASGL-RDTXWAMCSA-N 2 1 298.430 3.814 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H](C)CC[C@@H]3C[NH3+])cc2)o1 ZINC001205830491 1133620029 /nfs/dbraw/zinc/62/00/29/1133620029.db2.gz STSKLRABHYASGL-RDTXWAMCSA-N 2 1 298.430 3.814 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@H](C)CC[C@@H]3C[NH3+])cc2)o1 ZINC001205830491 1133620033 /nfs/dbraw/zinc/62/00/33/1133620033.db2.gz STSKLRABHYASGL-RDTXWAMCSA-N 2 1 298.430 3.814 20 0 CHADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001205852595 1133622081 /nfs/dbraw/zinc/62/20/81/1133622081.db2.gz GYIVQUPFTOIWJG-KDOFPFPSSA-N 2 1 272.436 3.513 20 0 CHADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001205852595 1133622085 /nfs/dbraw/zinc/62/20/85/1133622085.db2.gz GYIVQUPFTOIWJG-KDOFPFPSSA-N 2 1 272.436 3.513 20 0 CHADMP C[C@@H]1CC[N@H+](Cc2cccc3c4ccccc4oc32)C[C@@H]1[NH3+] ZINC001205872256 1133625343 /nfs/dbraw/zinc/62/53/43/1133625343.db2.gz JCCITYYVZFXMEH-DYVFJYSZSA-N 2 1 294.398 3.755 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2cccc3c4ccccc4oc32)C[C@@H]1[NH3+] ZINC001205872256 1133625346 /nfs/dbraw/zinc/62/53/46/1133625346.db2.gz JCCITYYVZFXMEH-DYVFJYSZSA-N 2 1 294.398 3.755 20 0 CHADMP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc(C)c1Cl ZINC001205913430 1133630310 /nfs/dbraw/zinc/63/03/10/1133630310.db2.gz IGKGWOQKOSFHBC-HIFRSBDPSA-N 2 1 280.843 3.516 20 0 CHADMP [NH3+][C@H]1CCCC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC001205932263 1133633336 /nfs/dbraw/zinc/63/33/36/1133633336.db2.gz PEWRLOMWHCXCTN-IBGZPJMESA-N 2 1 280.415 3.667 20 0 CHADMP [NH3+][C@H]1CCCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC001205932263 1133633339 /nfs/dbraw/zinc/63/33/39/1133633339.db2.gz PEWRLOMWHCXCTN-IBGZPJMESA-N 2 1 280.415 3.667 20 0 CHADMP CC(C)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001205995776 1133639442 /nfs/dbraw/zinc/63/94/42/1133639442.db2.gz QEGBVDHNGCVBAC-MAUKXSAKSA-N 2 1 274.452 3.617 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2cccc3ccccc32)CCC[C@@H]1C[NH3+] ZINC001205992558 1133639480 /nfs/dbraw/zinc/63/94/80/1133639480.db2.gz FHNYUHHJEJTXIR-NVXWUHKLSA-N 2 1 282.431 3.647 20 0 CHADMP C[C@H]1C[N@@H+](Cc2csc3ccccc23)CCC[C@@H]1C[NH3+] ZINC001206003536 1133640272 /nfs/dbraw/zinc/64/02/72/1133640272.db2.gz JBKFTVHAZICFQU-UONOGXRCSA-N 2 1 288.460 3.708 20 0 CHADMP Cc1c(F)ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1Cl ZINC001206023239 1133643151 /nfs/dbraw/zinc/64/31/51/1133643151.db2.gz DTZGUKADROICDU-WCQYABFASA-N 2 1 298.833 3.594 20 0 CHADMP Cc1cc(F)cc(Cl)c1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206036736 1133646527 /nfs/dbraw/zinc/64/65/27/1133646527.db2.gz PDOYZZCNMWVZBO-CHWSQXEVSA-N 2 1 298.833 3.594 20 0 CHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)CC1CCCC1 ZINC001206127852 1133661100 /nfs/dbraw/zinc/66/11/00/1133661100.db2.gz LQUZMONKOGMJCN-GJZGRUSLSA-N 2 1 254.462 3.665 20 0 CHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)CC1CCCC1 ZINC001206127852 1133661102 /nfs/dbraw/zinc/66/11/02/1133661102.db2.gz LQUZMONKOGMJCN-GJZGRUSLSA-N 2 1 254.462 3.665 20 0 CHADMP C[C@H](CC[N@H+]1CCC[C@](C)(C[NH3+])CC1)CC(C)(C)C ZINC001206295875 1133684854 /nfs/dbraw/zinc/68/48/54/1133684854.db2.gz OLGWZKKQSYEFBD-WBVHZDCISA-N 2 1 268.489 3.900 20 0 CHADMP CCCc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)s1 ZINC001206304471 1133686826 /nfs/dbraw/zinc/68/68/26/1133686826.db2.gz LFMMYTLFGGZOCA-INIZCTEOSA-N 2 1 280.481 3.652 20 0 CHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc3sccc32)CC1 ZINC001206327322 1133690154 /nfs/dbraw/zinc/69/01/54/1133690154.db2.gz VKZQRCMYQXIUOG-QGZVFWFLSA-N 2 1 288.460 3.852 20 0 CHADMP CC1=CC[C@H](CC[N@@H+]2CCCC[C@](F)(C[NH3+])C2)C1(C)C ZINC001206338257 1133691463 /nfs/dbraw/zinc/69/14/63/1133691463.db2.gz YQXWQXORFCIKSB-WBVHZDCISA-N 2 1 282.447 3.522 20 0 CHADMP CC1=CC[C@H](CC[N@H+]2CCCC[C@](F)(C[NH3+])C2)C1(C)C ZINC001206338257 1133691469 /nfs/dbraw/zinc/69/14/69/1133691469.db2.gz YQXWQXORFCIKSB-WBVHZDCISA-N 2 1 282.447 3.522 20 0 CHADMP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001206370665 1133695480 /nfs/dbraw/zinc/69/54/80/1133695480.db2.gz OOUBPMWFEAHMDL-SFHVURJKSA-N 2 1 290.426 3.607 20 0 CHADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001206370665 1133695483 /nfs/dbraw/zinc/69/54/83/1133695483.db2.gz OOUBPMWFEAHMDL-SFHVURJKSA-N 2 1 290.426 3.607 20 0 CHADMP CC(C)(CC[N@H+]1CCCC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC001206541817 1133715535 /nfs/dbraw/zinc/71/55/35/1133715535.db2.gz KVFXHSNCRZBAPQ-IBGZPJMESA-N 2 1 288.479 3.805 20 0 CHADMP Cc1cccc2c(C[N@H+](C(C)C)[C@H]3CCC[NH2+]CC3)c[nH]c21 ZINC001206582276 1133721859 /nfs/dbraw/zinc/72/18/59/1133721859.db2.gz NJXAHLQTLOPREL-KRWDZBQOSA-N 2 1 299.462 3.829 20 0 CHADMP Cc1ccc([C@H](C)CC[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)o1 ZINC001206580939 1133722106 /nfs/dbraw/zinc/72/21/06/1133722106.db2.gz GNWAUIDVDOVEFQ-NVXWUHKLSA-N 2 1 292.467 3.934 20 0 CHADMP CCc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)s1 ZINC001206592225 1133724296 /nfs/dbraw/zinc/72/42/96/1133724296.db2.gz YUNUPSOFQJEXDH-CQSZACIVSA-N 2 1 280.481 3.663 20 0 CHADMP Cc1cccc2[nH]cc(C[N@H+](C(C)C)[C@@H]3CCC[NH2+]CC3)c21 ZINC001206592181 1133724387 /nfs/dbraw/zinc/72/43/87/1133724387.db2.gz XYEMDMNFQYQYGQ-QGZVFWFLSA-N 2 1 299.462 3.829 20 0 CHADMP Cc1c2ccccc2[nH]c1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206591652 1133724605 /nfs/dbraw/zinc/72/46/05/1133724605.db2.gz URWOMQBCWFZACM-MRXNPFEDSA-N 2 1 299.462 3.829 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206616898 1133727864 /nfs/dbraw/zinc/72/78/64/1133727864.db2.gz SZRAARQXCOTBES-AWEZNQCLSA-N 2 1 288.460 3.771 20 0 CHADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001206624260 1133729245 /nfs/dbraw/zinc/72/92/45/1133729245.db2.gz SFGNFRDDQANOPZ-CQSZACIVSA-N 2 1 286.394 3.540 20 0 CHADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccccc1-c1ccccc1 ZINC001206771852 1133746773 /nfs/dbraw/zinc/74/67/73/1133746773.db2.gz YIQSIXVOFNXSKW-DLBZAZTESA-N 2 1 294.442 3.913 20 0 CHADMP Cc1cc(C)c(Cl)c(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206810048 1133751355 /nfs/dbraw/zinc/75/13/55/1133751355.db2.gz MXKBPWLGZGGISD-KBPBESRZSA-N 2 1 280.843 3.516 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000164606493 1133759270 /nfs/dbraw/zinc/75/92/70/1133759270.db2.gz JABGKNXUBBIUEO-CVEARBPZSA-N 2 1 285.435 3.754 20 0 CHADMP CC[N@@H+](CCC1CC[NH+](C)CC1)Cc1cccc(Cl)c1 ZINC001207487513 1133805730 /nfs/dbraw/zinc/80/57/30/1133805730.db2.gz LUCSEGZIWJQQSO-UHFFFAOYSA-N 2 1 294.870 3.894 20 0 CHADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001207627230 1133832620 /nfs/dbraw/zinc/83/26/20/1133832620.db2.gz UNYOHMFZXPXQFZ-WJFTUGDTSA-N 2 1 288.479 3.539 20 0 CHADMP c1ccc(C2(C[NH+]3CCC([NH+]4CCCCC4)CC3)CC2)cc1 ZINC001207830694 1133852002 /nfs/dbraw/zinc/85/20/02/1133852002.db2.gz IBCQQYDBXCHWBL-UHFFFAOYSA-N 2 1 298.474 3.669 20 0 CHADMP CC[NH+](CC)C1CC[NH+](CC2(c3ccccc3)CC2)CC1 ZINC001207838831 1133852338 /nfs/dbraw/zinc/85/23/38/1133852338.db2.gz UOZVQRRNTQTWER-UHFFFAOYSA-N 2 1 286.463 3.524 20 0 CHADMP Cc1ccc(CCC[N@H+](C)CC2CC[NH+](C(C)C)CC2)o1 ZINC001207947784 1133869257 /nfs/dbraw/zinc/86/92/57/1133869257.db2.gz JYBOYPIWGOHXKX-UHFFFAOYSA-N 2 1 292.467 3.573 20 0 CHADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@H]2c2cccs2)CC1 ZINC001208105671 1133876522 /nfs/dbraw/zinc/87/65/22/1133876522.db2.gz APALKBGTQQNGEL-AWEZNQCLSA-N 2 1 278.465 3.617 20 0 CHADMP C[NH+](C)CC1(C[N@H+]2CC[C@H](c3ccccc3)C2)CCCC1 ZINC001208183751 1133900814 /nfs/dbraw/zinc/90/08/14/1133900814.db2.gz FRUVEYOWSBWUQO-SFHVURJKSA-N 2 1 286.463 3.598 20 0 CHADMP C[NH+](C)CC1(C[N@@H+](C)CCCc2ccccc2)CCCC1 ZINC001208191783 1133903485 /nfs/dbraw/zinc/90/34/85/1133903485.db2.gz PUTUQCLJEVELFI-UHFFFAOYSA-N 2 1 288.479 3.673 20 0 CHADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC001208599432 1133918182 /nfs/dbraw/zinc/91/81/82/1133918182.db2.gz HPUMPJHMPVWEHC-GOSISDBHSA-N 2 1 272.436 3.555 20 0 CHADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H]2c2ccccc2)CC1 ZINC001208599437 1133918191 /nfs/dbraw/zinc/91/81/91/1133918191.db2.gz HPUMPJHMPVWEHC-SFHVURJKSA-N 2 1 272.436 3.555 20 0 CHADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H]2c2cccs2)CC1 ZINC001208600780 1133919212 /nfs/dbraw/zinc/91/92/12/1133919212.db2.gz WIJXCWBNFFYYAL-HNNXBMFYSA-N 2 1 278.465 3.617 20 0 CHADMP CC[N@@H+](C)C1CC[NH+](CC[C@@H](C)CC(C)(C)C)CC1 ZINC001208664310 1133924336 /nfs/dbraw/zinc/92/43/36/1133924336.db2.gz SZLNFOPIYMFMHA-OAHLLOKOSA-N 2 1 268.489 3.865 20 0 CHADMP C[N@@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)CC(C)(C)C ZINC001208931677 1133967577 /nfs/dbraw/zinc/96/75/77/1133967577.db2.gz CGAMYQHZJCBSBR-SFHVURJKSA-N 2 1 288.479 3.877 20 0 CHADMP C[NH+](C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)CC(C)(C)C ZINC001208931677 1133967581 /nfs/dbraw/zinc/96/75/81/1133967581.db2.gz CGAMYQHZJCBSBR-SFHVURJKSA-N 2 1 288.479 3.877 20 0 CHADMP C[NH+](C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)CC(C)(C)C ZINC001208931677 1133967585 /nfs/dbraw/zinc/96/75/85/1133967585.db2.gz CGAMYQHZJCBSBR-SFHVURJKSA-N 2 1 288.479 3.877 20 0 CHADMP CC[N@H+](CCC[NH+]1CCCCC1)Cc1ccc(F)cc1 ZINC001209449864 1134025019 /nfs/dbraw/zinc/02/50/19/1134025019.db2.gz BMWDNYJIJGBKPZ-UHFFFAOYSA-N 2 1 278.415 3.524 20 0 CHADMP CC[N@@H+](CCC[NH+]1CCCCC1)Cc1ccc(F)cc1 ZINC001209449864 1134025023 /nfs/dbraw/zinc/02/50/23/1134025023.db2.gz BMWDNYJIJGBKPZ-UHFFFAOYSA-N 2 1 278.415 3.524 20 0 CHADMP Cc1cc(N)[nH+]cc1Nc1ccccc1C[NH+]1CCCCC1 ZINC001209966496 1134111124 /nfs/dbraw/zinc/11/11/24/1134111124.db2.gz CJOHKMSIBCEAOT-UHFFFAOYSA-N 2 1 296.418 3.702 20 0 CHADMP c1cc2cc(Nc3cc[nH+]c(N4CCCC4)c3)ccc2c[nH+]1 ZINC001210046343 1134134118 /nfs/dbraw/zinc/13/41/18/1134134118.db2.gz DZRKDFPEDPPHKC-UHFFFAOYSA-N 2 1 290.370 3.974 20 0 CHADMP CCCCC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1 ZINC000401759993 1134618830 /nfs/dbraw/zinc/61/88/30/1134618830.db2.gz HLGRSJPFOPXNTK-GOSISDBHSA-N 2 1 285.435 3.874 20 0 CHADMP CCCCC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1 ZINC000401759995 1134618934 /nfs/dbraw/zinc/61/89/34/1134618934.db2.gz HLGRSJPFOPXNTK-SFHVURJKSA-N 2 1 285.435 3.874 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000309931838 1135118853 /nfs/dbraw/zinc/11/88/53/1135118853.db2.gz WPFPVZLIVCWSDY-XIKSMUEASA-N 2 1 298.474 3.675 20 0 CHADMP CC(C)CC[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000190759284 1135136910 /nfs/dbraw/zinc/13/69/10/1135136910.db2.gz ZXJBHOZNILNNFL-INIZCTEOSA-N 2 1 274.452 3.848 20 0 CHADMP C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C[C@H]1C[NH3+] ZINC000317926504 1135176049 /nfs/dbraw/zinc/17/60/49/1135176049.db2.gz PFMAPLDZXNPKBZ-OXJNMPFZSA-N 2 1 294.442 3.770 20 0 CHADMP Fc1cccc2c(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cccc12 ZINC001222155113 1135200965 /nfs/dbraw/zinc/20/09/65/1135200965.db2.gz WCGOXYWJSVZNGZ-IBGZPJMESA-N 2 1 298.405 3.554 20 0 CHADMP c1cc2c(cccc2C[N@@H+]2CCC[C@]23CCC[NH2+]C3)s1 ZINC001222252447 1135214712 /nfs/dbraw/zinc/21/47/12/1135214712.db2.gz DNNXSSLWIHOXON-KRWDZBQOSA-N 2 1 286.444 3.619 20 0 CHADMP c1cc2c(cccc2C[N@H+]2CCC[C@]23CCC[NH2+]C3)s1 ZINC001222252447 1135214715 /nfs/dbraw/zinc/21/47/15/1135214715.db2.gz DNNXSSLWIHOXON-KRWDZBQOSA-N 2 1 286.444 3.619 20 0 CHADMP CC(C)c1cccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222252190 1135215020 /nfs/dbraw/zinc/21/50/20/1135215020.db2.gz AFGQAUHWQVKXGJ-SFHVURJKSA-N 2 1 272.436 3.528 20 0 CHADMP CC(C)c1cccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222252190 1135215023 /nfs/dbraw/zinc/21/50/23/1135215023.db2.gz AFGQAUHWQVKXGJ-SFHVURJKSA-N 2 1 272.436 3.528 20 0 CHADMP Cc1ccc([C@@H](C)CC[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)o1 ZINC001222259054 1135216177 /nfs/dbraw/zinc/21/61/77/1135216177.db2.gz JIFPFNJSCFKBML-YJBOKZPZSA-N 2 1 290.451 3.547 20 0 CHADMP c1ccc(CCCC[NH+]2CCC3(CCCC[NH2+]3)CC2)cc1 ZINC001222287651 1135218439 /nfs/dbraw/zinc/21/84/39/1135218439.db2.gz ORJSZZFQZGQSTQ-UHFFFAOYSA-N 2 1 286.463 3.617 20 0 CHADMP CC1=CC[C@H](CC[N@H+]2CCC[C@@]23CCC[NH2+]CC3)C1(C)C ZINC001222307845 1135221881 /nfs/dbraw/zinc/22/18/81/1135221881.db2.gz CFNYKMHNJDPWSF-IEBWSBKVSA-N 2 1 290.495 3.977 20 0 CHADMP Cc1ccc2[nH]cc(C[N@H+]3CCC[C@]34CCC[NH2+]CC4)c2c1 ZINC001222308688 1135222644 /nfs/dbraw/zinc/22/26/44/1135222644.db2.gz LJALYSCROCNJOE-IBGZPJMESA-N 2 1 297.446 3.584 20 0 CHADMP Cc1ccc2c(C[N@H+]3CCC[C@@]34CCC[NH2+]CC4)c[nH]c2c1 ZINC001222310908 1135222672 /nfs/dbraw/zinc/22/26/72/1135222672.db2.gz YJXGPECDFNKKSL-LJQANCHMSA-N 2 1 297.446 3.584 20 0 CHADMP Cc1ccc([C@@H](C)CC[N@H+]2CCC[C@]23CCC[NH2+]CC3)o1 ZINC001222310426 1135222822 /nfs/dbraw/zinc/22/28/22/1135222822.db2.gz UYSRBBLNKQPSAF-YJBOKZPZSA-N 2 1 290.451 3.690 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc1C ZINC001222314226 1135224018 /nfs/dbraw/zinc/22/40/18/1135224018.db2.gz DBXKZRXZKKAJBC-IBGZPJMESA-N 2 1 286.463 3.720 20 0 CHADMP Cc1ccc2[nH]c(C[N@H+]3CCC[C@@]34CCC[NH2+]CC4)cc2c1 ZINC001222316100 1135224152 /nfs/dbraw/zinc/22/41/52/1135224152.db2.gz SMKCKSPMCWLLRF-LJQANCHMSA-N 2 1 297.446 3.584 20 0 CHADMP CC(C)c1ccccc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222315412 1135224523 /nfs/dbraw/zinc/22/45/23/1135224523.db2.gz NJBFTBSEQVIQAG-IBGZPJMESA-N 2 1 286.463 3.918 20 0 CHADMP CC(C)c1cccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222320329 1135225127 /nfs/dbraw/zinc/22/51/27/1135225127.db2.gz GNOVBZGVTPZEBZ-LJQANCHMSA-N 2 1 286.463 3.918 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc(C)c1F ZINC001222316802 1135225288 /nfs/dbraw/zinc/22/52/88/1135225288.db2.gz YOQNUAMXGVOFJT-SFHVURJKSA-N 2 1 290.426 3.551 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)c2ccccc12 ZINC001222345222 1135229578 /nfs/dbraw/zinc/22/95/78/1135229578.db2.gz JMAGEXSFCINULK-HXUWFJFHSA-N 2 1 294.442 3.866 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)c2ccccc12 ZINC001222345222 1135229581 /nfs/dbraw/zinc/22/95/81/1135229581.db2.gz JMAGEXSFCINULK-HXUWFJFHSA-N 2 1 294.442 3.866 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222353497 1135230952 /nfs/dbraw/zinc/23/09/52/1135230952.db2.gz BNSSLTZXKVPEDW-HXUWFJFHSA-N 2 1 294.442 3.866 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222353497 1135230956 /nfs/dbraw/zinc/23/09/56/1135230956.db2.gz BNSSLTZXKVPEDW-HXUWFJFHSA-N 2 1 294.442 3.866 20 0 CHADMP C(CC1CCCC1)C[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385593 1135233749 /nfs/dbraw/zinc/23/37/49/1135233749.db2.gz RFASTSLOFNIMRO-QGZVFWFLSA-N 2 1 264.457 3.565 20 0 CHADMP C(CC1CCCC1)C[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385593 1135233753 /nfs/dbraw/zinc/23/37/53/1135233753.db2.gz RFASTSLOFNIMRO-QGZVFWFLSA-N 2 1 264.457 3.565 20 0 CHADMP CC(C)(CC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2)c1ccccc1 ZINC001222420825 1135239747 /nfs/dbraw/zinc/23/97/47/1135239747.db2.gz HCXZZHQPGPLCEY-LJQANCHMSA-N 2 1 286.463 3.572 20 0 CHADMP CC(C)(CC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2)c1ccccc1 ZINC001222420825 1135239751 /nfs/dbraw/zinc/23/97/51/1135239751.db2.gz HCXZZHQPGPLCEY-LJQANCHMSA-N 2 1 286.463 3.572 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222623831 1135256675 /nfs/dbraw/zinc/25/66/75/1135256675.db2.gz NWBNUPTZVUNVQB-KURKYZTESA-N 2 1 278.484 3.690 20 0 CHADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2cccc(Cl)c2F)CC1 ZINC000355033044 530051072 /nfs/dbraw/zinc/05/10/72/530051072.db2.gz BGCDIMRQMNCDTP-UHFFFAOYSA-N 2 1 296.817 3.539 20 0 CHADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cccc(Cl)c2F)CC1 ZINC000355033044 530051073 /nfs/dbraw/zinc/05/10/73/530051073.db2.gz BGCDIMRQMNCDTP-UHFFFAOYSA-N 2 1 296.817 3.539 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c(C)o1 ZINC000036907060 260049237 /nfs/dbraw/zinc/04/92/37/260049237.db2.gz XQKYCXIUIXBMRL-DZGCQCFKSA-N 2 1 278.440 3.812 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c(C)o1 ZINC000036907060 260049239 /nfs/dbraw/zinc/04/92/39/260049239.db2.gz XQKYCXIUIXBMRL-DZGCQCFKSA-N 2 1 278.440 3.812 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1cc2ccccc2o1)C(C)C ZINC000341870916 130098039 /nfs/dbraw/zinc/09/80/39/130098039.db2.gz AROXFEIQPDNBDU-SFHVURJKSA-N 2 1 297.402 3.925 20 0 CHADMP CC[C@@H](CSC)[N@@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000575095881 335064628 /nfs/dbraw/zinc/06/46/28/335064628.db2.gz ZVWBYGYSCMGIGF-LBPRGKRZSA-N 2 1 295.477 3.507 20 0 CHADMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1F ZINC000020143273 171028830 /nfs/dbraw/zinc/02/88/30/171028830.db2.gz AOIPLRHRTHTQRD-GFCCVEGCSA-N 2 1 278.415 3.786 20 0 CHADMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(F)c(F)c1 ZINC000020143364 171029067 /nfs/dbraw/zinc/02/90/67/171029067.db2.gz JWUFRMLMWIPPHH-LLVKDONJSA-N 2 1 296.405 3.925 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c(C)o1 ZINC000020439121 171202990 /nfs/dbraw/zinc/20/29/90/171202990.db2.gz XLTSJWBRGWDOSR-GFCCVEGCSA-N 2 1 278.440 3.856 20 0 CHADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000037423340 173198087 /nfs/dbraw/zinc/19/80/87/173198087.db2.gz FHYXYAYHMBPAQW-UHFFFAOYSA-N 2 1 289.250 3.671 20 0 CHADMP CCC(C)(C)C1CCC([N@H+]2CC[C@H](C[NH2+]C)C2)CC1 ZINC000071142140 176039997 /nfs/dbraw/zinc/03/99/97/176039997.db2.gz ROPBJJMRBUTBQK-QQFBHYJXSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)cs2)CC[C@H]1[NH3+] ZINC000347041427 226023952 /nfs/dbraw/zinc/02/39/52/226023952.db2.gz KVZDQQHXPYQCHB-CXAGYDPISA-N 2 1 286.444 3.584 20 0 CHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC000347045666 226026977 /nfs/dbraw/zinc/02/69/77/226026977.db2.gz NVFQACYZBBMNPR-OXJNMPFZSA-N 2 1 294.442 3.913 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cccc(CC(C)C)c1 ZINC000353499465 228110976 /nfs/dbraw/zinc/11/09/76/228110976.db2.gz UIDJMIMIYFSZCD-OAHLLOKOSA-N 2 1 285.435 3.741 20 0 CHADMP Cc1ccc(CCC[N@H+](C)Cc2ccc(F)cc2F)cn1 ZINC000353366360 228091916 /nfs/dbraw/zinc/09/19/16/228091916.db2.gz YFUKXPWQCQTHIH-UHFFFAOYSA-N 2 1 290.357 3.733 20 0 CHADMP Cc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353679006 228143754 /nfs/dbraw/zinc/14/37/54/228143754.db2.gz FRHKATPLFHUVEH-KBAYOESNSA-N 2 1 298.430 3.704 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2CCCCc3ccccc32)CC1 ZINC000038097900 260125867 /nfs/dbraw/zinc/12/58/67/260125867.db2.gz VRWLLYBNZHOMHG-SFHVURJKSA-N 2 1 272.436 3.528 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC23CCCCC3)CC[N@@H+]1C ZINC000312991784 260229379 /nfs/dbraw/zinc/22/93/79/260229379.db2.gz NISSQBQMIMLIGG-BZUAXINKSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC23CCCCC3)CC[N@H+]1C ZINC000312991784 260229381 /nfs/dbraw/zinc/22/93/81/260229381.db2.gz NISSQBQMIMLIGG-BZUAXINKSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000311426216 260248069 /nfs/dbraw/zinc/24/80/69/260248069.db2.gz BPWGYRQDKCCFOB-IJEWVQPXSA-N 2 1 266.473 3.521 20 0 CHADMP COc1ccccc1[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093496491 260290208 /nfs/dbraw/zinc/29/02/08/260290208.db2.gz YMNJIWRPBCSJJE-JYJNAYRXSA-N 2 1 290.451 3.657 20 0 CHADMP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCC1 ZINC000313396180 260290699 /nfs/dbraw/zinc/29/06/99/260290699.db2.gz HWZIVTXIWQHMKC-NPYXIHBLSA-N 2 1 264.457 3.560 20 0 CHADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000094021610 260342678 /nfs/dbraw/zinc/34/26/78/260342678.db2.gz QMUMEBMSSTVKQA-ZDUSSCGKSA-N 2 1 292.854 3.865 20 0 CHADMP C/C(=C\c1ccccc1)C[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000518269488 260364774 /nfs/dbraw/zinc/36/47/74/260364774.db2.gz DCWOTZMICKNYQQ-UMEYKSNOSA-N 2 1 286.463 3.800 20 0 CHADMP CCCC[C@H](CCC)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000161610130 261099020 /nfs/dbraw/zinc/09/90/20/261099020.db2.gz BHKFMHSGXPIIIX-ARFHVFGLSA-N 2 1 252.446 3.562 20 0 CHADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157136543 261141462 /nfs/dbraw/zinc/14/14/62/261141462.db2.gz KTWGWPUGRDYAHS-WMZOPIPTSA-N 2 1 272.436 3.698 20 0 CHADMP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000449073533 261149924 /nfs/dbraw/zinc/14/99/24/261149924.db2.gz JBIUELORMSYUQZ-BRWVUGGUSA-N 2 1 278.484 3.665 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC000249059466 261239197 /nfs/dbraw/zinc/23/91/97/261239197.db2.gz ZQCLAHPYVPZRTG-UVKRDEOUSA-N 2 1 284.447 3.840 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000165638067 261374203 /nfs/dbraw/zinc/37/42/03/261374203.db2.gz AXPABZCMMXXTTL-ZDUSSCGKSA-N 2 1 283.375 3.679 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCC2 ZINC000166050414 261381757 /nfs/dbraw/zinc/38/17/57/261381757.db2.gz ZYUHZNFVESPDLV-LJQANCHMSA-N 2 1 284.447 3.589 20 0 CHADMP Cc1nc(C(C)C)sc1[C@H](C)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000361764553 261390021 /nfs/dbraw/zinc/39/00/21/261390021.db2.gz MPQBWULHDDUHFN-OBJOEFQTSA-N 2 1 295.496 3.708 20 0 CHADMP C[N@@H+](CCC1CCCCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000394551384 261587936 /nfs/dbraw/zinc/58/79/36/261587936.db2.gz AOAVTIJWCUEIAA-SJPCQFCGSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)C1(c2ccccc2)CCCC1 ZINC000186756071 262108621 /nfs/dbraw/zinc/10/86/21/262108621.db2.gz GUDPGXGIVLANTD-MRXNPFEDSA-N 2 1 286.463 3.571 20 0 CHADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000094339105 262197831 /nfs/dbraw/zinc/19/78/31/262197831.db2.gz XTZFYPMPALEZND-KEYYUXOJSA-N 2 1 260.425 3.540 20 0 CHADMP CC(C)C[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000499627023 262204669 /nfs/dbraw/zinc/20/46/69/262204669.db2.gz RETPPRISYJQMIG-YESZJQIVSA-N 2 1 280.500 3.911 20 0 CHADMP CC(C)[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390612297 262229055 /nfs/dbraw/zinc/22/90/55/262229055.db2.gz XDDNSEBTLWPWIE-SJLPKXTDSA-N 2 1 288.479 3.921 20 0 CHADMP CC(C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390612297 262229057 /nfs/dbraw/zinc/22/90/57/262229057.db2.gz XDDNSEBTLWPWIE-SJLPKXTDSA-N 2 1 288.479 3.921 20 0 CHADMP CCC(C)(C)CC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000525787698 262238476 /nfs/dbraw/zinc/23/84/76/262238476.db2.gz SZRXCCKQKRIMQY-UHFFFAOYSA-N 2 1 268.489 3.865 20 0 CHADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2occc21 ZINC000122065754 262343522 /nfs/dbraw/zinc/34/35/22/262343522.db2.gz SHXFXWJAWFBHJA-GDBMZVCRSA-N 2 1 276.424 3.511 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCc2occc21 ZINC000122065754 262343523 /nfs/dbraw/zinc/34/35/23/262343523.db2.gz SHXFXWJAWFBHJA-GDBMZVCRSA-N 2 1 276.424 3.511 20 0 CHADMP CC1(C)CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000390775381 262345430 /nfs/dbraw/zinc/34/54/30/262345430.db2.gz MMDKODVUKMIKQI-ROUUACIJSA-N 2 1 286.463 3.677 20 0 CHADMP CC(C)[C@@H](C[NH2+]C[C@@H](C)c1ccccc1)[NH+]1CCCC1 ZINC000021044994 262374618 /nfs/dbraw/zinc/37/46/18/262374618.db2.gz FEJDUKMCJJEFEC-SJLPKXTDSA-N 2 1 274.452 3.500 20 0 CHADMP C[C@H]1CCC[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)C1 ZINC000021053717 262375258 /nfs/dbraw/zinc/37/52/58/262375258.db2.gz MDIZDWABVHQUGZ-FUHWJXTLSA-N 2 1 274.452 3.677 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000187160586 262387215 /nfs/dbraw/zinc/38/72/15/262387215.db2.gz XMMHFTTXPPFURK-APWZRJJASA-N 2 1 299.462 3.685 20 0 CHADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000414170435 262813462 /nfs/dbraw/zinc/81/34/62/262813462.db2.gz CAMWFAHNJFHGGX-RHSMWYFYSA-N 2 1 278.415 3.598 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000436283363 262818212 /nfs/dbraw/zinc/81/82/12/262818212.db2.gz UUHBLQLMKRDMPY-ROUUACIJSA-N 2 1 274.452 3.643 20 0 CHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2F)CC1 ZINC000414283747 262835727 /nfs/dbraw/zinc/83/57/27/262835727.db2.gz JQTSGZOQXNQPKT-VDHUWJSZSA-N 2 1 296.474 3.900 20 0 CHADMP Cc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CC[NH2+][C@@H](C)C2)s1 ZINC000414687932 263032595 /nfs/dbraw/zinc/03/25/95/263032595.db2.gz CTVMEFQRYGZLDO-QEJZJMRPSA-N 2 1 278.465 3.582 20 0 CHADMP c1ccc2cc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)ccc2c1 ZINC000414787714 263048269 /nfs/dbraw/zinc/04/82/69/263048269.db2.gz VXGXBTZJLQVLOH-WOJBJXKFSA-N 2 1 294.442 3.661 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+]C1CCC(c2ccccc2)CC1 ZINC000414812260 263053444 /nfs/dbraw/zinc/05/34/44/263053444.db2.gz KPNDXAZITJIZOS-ABHNRTSZSA-N 2 1 274.452 3.820 20 0 CHADMP C[C@@H]1[C@H]([NH2+][C@@H](C[NH3+])C2CCCCC2)C[C@@H]1c1ccccc1 ZINC000414834042 263056791 /nfs/dbraw/zinc/05/67/91/263056791.db2.gz GHOBJIQWYIUAOS-FZDIXFNVSA-N 2 1 286.463 3.676 20 0 CHADMP C[C@H](CCc1cccc(F)c1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414835804 263057093 /nfs/dbraw/zinc/05/70/93/263057093.db2.gz HXMGPZDKABPRTI-KDOFPFPSSA-N 2 1 292.442 3.644 20 0 CHADMP C[C@@H](CC[NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000414854816 263071432 /nfs/dbraw/zinc/07/14/32/263071432.db2.gz VPRDVQSIGPAUTJ-YJBOKZPZSA-N 2 1 274.452 3.677 20 0 CHADMP CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414855091 263071721 /nfs/dbraw/zinc/07/17/21/263071721.db2.gz WDIKXRWUZSSSSU-ROUUACIJSA-N 2 1 274.452 3.505 20 0 CHADMP c1cncc(C[NH2+]CCC[NH2+]CCCC2CCCCC2)c1 ZINC000414862102 263075704 /nfs/dbraw/zinc/07/57/04/263075704.db2.gz UPXIGFZBHFPSKO-UHFFFAOYSA-N 2 1 289.467 3.511 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](Cc1ccccc1C)C1CC1 ZINC000284131955 263085865 /nfs/dbraw/zinc/08/58/65/263085865.db2.gz CXRNOGHWICQYRQ-LJQANCHMSA-N 2 1 297.446 3.501 20 0 CHADMP CCCC1CCC([NH2+]CCC[NH2+]Cc2cccnc2)CC1 ZINC000414875798 263090595 /nfs/dbraw/zinc/09/05/95/263090595.db2.gz JTYHBEBKCCLOAW-UHFFFAOYSA-N 2 1 289.467 3.510 20 0 CHADMP Cc1ccc(-c2ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])s2)cc1 ZINC000415002024 263202469 /nfs/dbraw/zinc/20/24/69/263202469.db2.gz DEBRKLJLOOVIGJ-STQMWFEESA-N 2 1 274.433 3.549 20 0 CHADMP CCn1c2ccccc2c2cc(C[NH2+][C@H](C)[C@H](C)[NH3+])ccc21 ZINC000415006647 263218526 /nfs/dbraw/zinc/21/85/26/263218526.db2.gz KUFHYLQQAPKPCE-UONOGXRCSA-N 2 1 295.430 3.640 20 0 CHADMP [NH3+]C[C@H]([NH2+]CCCc1c(F)cccc1Cl)C1CCCC1 ZINC000415063989 263258577 /nfs/dbraw/zinc/25/85/77/263258577.db2.gz JNKRFXFUHMFANF-INIZCTEOSA-N 2 1 298.833 3.519 20 0 CHADMP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1Cl ZINC000415060156 263258856 /nfs/dbraw/zinc/25/88/56/263258856.db2.gz YFIWACCCDQSLNV-DOTOQJQBSA-N 2 1 292.854 3.612 20 0 CHADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1Cl ZINC000415060156 263258858 /nfs/dbraw/zinc/25/88/58/263258858.db2.gz YFIWACCCDQSLNV-DOTOQJQBSA-N 2 1 292.854 3.612 20 0 CHADMP [NH3+]C[C@H]([NH2+]Cc1csc2ccccc12)C1CCCC1 ZINC000415061391 263259020 /nfs/dbraw/zinc/25/90/20/263259020.db2.gz COQMVGLVGVRBRM-HNNXBMFYSA-N 2 1 274.433 3.508 20 0 CHADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)s1 ZINC000415086960 263271277 /nfs/dbraw/zinc/27/12/77/263271277.db2.gz SILJKQGHXCRXNP-DOTOQJQBSA-N 2 1 286.444 3.639 20 0 CHADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000070169578 264225437 /nfs/dbraw/zinc/22/54/37/264225437.db2.gz STQBRQGIMXWFEK-LLVKDONJSA-N 2 1 287.234 3.554 20 0 CHADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1cccs1 ZINC000132197785 264386467 /nfs/dbraw/zinc/38/64/67/264386467.db2.gz UGXQILIUPGCGKE-GDLCADMTSA-N 2 1 258.390 3.544 20 0 CHADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000314750082 266005024 /nfs/dbraw/zinc/00/50/24/266005024.db2.gz DSOXJTLHFGJUII-INIZCTEOSA-N 2 1 298.430 3.909 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000356391286 266106524 /nfs/dbraw/zinc/10/65/24/266106524.db2.gz PRGOILDXDHHTGC-GDWUOILNSA-N 2 1 295.430 3.759 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000356391286 266106527 /nfs/dbraw/zinc/10/65/27/266106527.db2.gz PRGOILDXDHHTGC-GDWUOILNSA-N 2 1 295.430 3.759 20 0 CHADMP C[N@@H+](CCC[NH2+]C1CCC2(CC2)CC1)Cc1ccccc1 ZINC000362921768 267061436 /nfs/dbraw/zinc/06/14/36/267061436.db2.gz IZXDYYCCOBRLCU-UHFFFAOYSA-N 2 1 286.463 3.821 20 0 CHADMP CC1(C)Cc2occc2[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000370670583 267336186 /nfs/dbraw/zinc/33/61/86/267336186.db2.gz FCTCLJHIRJKVNE-SQWLQELKSA-N 2 1 288.435 3.510 20 0 CHADMP CC1(C)Cc2occc2[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000370670583 267336189 /nfs/dbraw/zinc/33/61/89/267336189.db2.gz FCTCLJHIRJKVNE-SQWLQELKSA-N 2 1 288.435 3.510 20 0 CHADMP Cn1cc[nH+]c1CC1CC[NH+](CCCC2CCCC2)CC1 ZINC000120553587 267474974 /nfs/dbraw/zinc/47/49/74/267474974.db2.gz HPQUVPIPZNMCFV-UHFFFAOYSA-N 2 1 289.467 3.645 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000121439184 267655326 /nfs/dbraw/zinc/65/53/26/267655326.db2.gz SLPIJNXFAPVWEQ-CABCVRRESA-N 2 1 297.446 3.667 20 0 CHADMP CC(C)=CCC[C@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000164617868 327722797 /nfs/dbraw/zinc/72/27/97/327722797.db2.gz KPJKTEXDXYGFSF-HNNXBMFYSA-N 2 1 263.429 3.696 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(F)cc1F ZINC000164615525 327722801 /nfs/dbraw/zinc/72/28/01/327722801.db2.gz DCVLSPYKJKUQAS-GFCCVEGCSA-N 2 1 293.361 3.601 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@@H]3CCCC34CCC4)C2)cc1 ZINC000394754627 328006755 /nfs/dbraw/zinc/00/67/55/328006755.db2.gz AHZDUZYSGFJUDY-RBUKOAKNSA-N 2 1 298.474 3.821 20 0 CHADMP CC[C@@H](CN[C@@H]1CCc2c1cccc2Cl)[NH+]1CCCC1 ZINC000531685681 328021552 /nfs/dbraw/zinc/02/15/52/328021552.db2.gz LAYYGNVGNONJMM-SUMWQHHRSA-N 2 1 292.854 3.791 20 0 CHADMP CC[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000531701200 328025993 /nfs/dbraw/zinc/02/59/93/328025993.db2.gz JONAZJGNJJZXOO-DOTOQJQBSA-N 2 1 288.479 3.984 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(CC)s2)CC1 ZINC000041203141 328030138 /nfs/dbraw/zinc/03/01/38/328030138.db2.gz GRUATQAODUSWIH-ZDUSSCGKSA-N 2 1 280.481 3.836 20 0 CHADMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000194001540 329064666 /nfs/dbraw/zinc/06/46/66/329064666.db2.gz IHOHAGBELLCCMW-UKRRQHHQSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1Cl ZINC000194001540 329064667 /nfs/dbraw/zinc/06/46/67/329064667.db2.gz IHOHAGBELLCCMW-UKRRQHHQSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1Cl ZINC000194001540 329064668 /nfs/dbraw/zinc/06/46/68/329064668.db2.gz IHOHAGBELLCCMW-UKRRQHHQSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1Cl ZINC000194001540 329064669 /nfs/dbraw/zinc/06/46/69/329064669.db2.gz IHOHAGBELLCCMW-UKRRQHHQSA-N 2 1 280.843 3.563 20 0 CHADMP C[C@@H]1[C@@H](N2CCCC2)CC[N@H+]1C[C@@H]1CCCC(C)(C)C1 ZINC000571448017 328122718 /nfs/dbraw/zinc/12/27/18/328122718.db2.gz OBRRLZHIVVLUIS-ZACQAIPSSA-N 2 1 278.484 3.761 20 0 CHADMP Cn1cncc1CCC[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000571460138 328123093 /nfs/dbraw/zinc/12/30/93/328123093.db2.gz MFPIOOFHQBCEKO-LJQANCHMSA-N 2 1 295.430 3.505 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000571460138 328123094 /nfs/dbraw/zinc/12/30/94/328123094.db2.gz MFPIOOFHQBCEKO-LJQANCHMSA-N 2 1 295.430 3.505 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000571460138 328123095 /nfs/dbraw/zinc/12/30/95/328123095.db2.gz MFPIOOFHQBCEKO-LJQANCHMSA-N 2 1 295.430 3.505 20 0 CHADMP COc1ccccc1-c1ccc([C@@H](C)[N@@H+](C)CCC[NH3+])cc1 ZINC000414750766 328219080 /nfs/dbraw/zinc/21/90/80/328219080.db2.gz YROGHGOWTBSJQW-OAHLLOKOSA-N 2 1 298.430 3.704 20 0 CHADMP c1ccc(C2CCC(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC000414769700 328221669 /nfs/dbraw/zinc/22/16/69/328221669.db2.gz XBODRHNEZBWPQL-UUKMXZOPSA-N 2 1 298.474 3.646 20 0 CHADMP Cc1ccc(-c2ccc(C[NH2+]CC(C)(C)[NH3+])s2)cc1 ZINC000414800824 328230655 /nfs/dbraw/zinc/23/06/55/328230655.db2.gz IUUWDYHVDZBWDY-UHFFFAOYSA-N 2 1 274.433 3.550 20 0 CHADMP CCSCC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000531910266 328308451 /nfs/dbraw/zinc/30/84/51/328308451.db2.gz LELCNXSATLFODV-INIZCTEOSA-N 2 1 298.540 3.716 20 0 CHADMP CC(C)[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000531947344 328328521 /nfs/dbraw/zinc/32/85/21/328328521.db2.gz VPGNDGFBZPFJBW-JZXOWHBKSA-N 2 1 280.500 3.769 20 0 CHADMP CC(C)[C@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000531957200 328339132 /nfs/dbraw/zinc/33/91/32/328339132.db2.gz FJUAIAFTVJVNJS-HOCLYGCPSA-N 2 1 266.473 3.521 20 0 CHADMP CC(C)[C@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC000531957200 328339133 /nfs/dbraw/zinc/33/91/33/328339133.db2.gz FJUAIAFTVJVNJS-HOCLYGCPSA-N 2 1 266.473 3.521 20 0 CHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC=C(C(C)(C)C)CC1 ZINC000534691165 328356411 /nfs/dbraw/zinc/35/64/11/328356411.db2.gz KGUWMOWUYUCBRN-MRXNPFEDSA-N 2 1 264.457 3.539 20 0 CHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000534691165 328356413 /nfs/dbraw/zinc/35/64/13/328356413.db2.gz KGUWMOWUYUCBRN-MRXNPFEDSA-N 2 1 264.457 3.539 20 0 CHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000534691165 328356414 /nfs/dbraw/zinc/35/64/14/328356414.db2.gz KGUWMOWUYUCBRN-MRXNPFEDSA-N 2 1 264.457 3.539 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000534757888 328360362 /nfs/dbraw/zinc/36/03/62/328360362.db2.gz DQUHVGOGBBLCPR-XJKSGUPXSA-N 2 1 280.843 3.817 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000534757888 328360363 /nfs/dbraw/zinc/36/03/63/328360363.db2.gz DQUHVGOGBBLCPR-XJKSGUPXSA-N 2 1 280.843 3.817 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000534757888 328360365 /nfs/dbraw/zinc/36/03/65/328360365.db2.gz DQUHVGOGBBLCPR-XJKSGUPXSA-N 2 1 280.843 3.817 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000534757888 328360367 /nfs/dbraw/zinc/36/03/67/328360367.db2.gz DQUHVGOGBBLCPR-XJKSGUPXSA-N 2 1 280.843 3.817 20 0 CHADMP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000049554375 328371630 /nfs/dbraw/zinc/37/16/30/328371630.db2.gz BYKQRCWEAHMCID-NWDGAFQWSA-N 2 1 297.512 3.740 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccccc1C(F)(F)F ZINC000049553099 328371654 /nfs/dbraw/zinc/37/16/54/328371654.db2.gz NWGZSNPFWLFYJN-NWDGAFQWSA-N 2 1 288.357 3.696 20 0 CHADMP Cc1ccsc1[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000070089655 328381854 /nfs/dbraw/zinc/38/18/54/328381854.db2.gz KPOUILXTPVQOBA-GJZGRUSLSA-N 2 1 280.481 3.972 20 0 CHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc4ccccc43)CC[C@H]21 ZINC000531988603 328383040 /nfs/dbraw/zinc/38/30/40/328383040.db2.gz LLLHCOHOUZQLPK-AZUAARDMSA-N 2 1 294.442 3.756 20 0 CHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc4ccccc43)CC[C@H]21 ZINC000531988603 328383041 /nfs/dbraw/zinc/38/30/41/328383041.db2.gz LLLHCOHOUZQLPK-AZUAARDMSA-N 2 1 294.442 3.756 20 0 CHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc4ccccc43)CC[C@H]21 ZINC000531988603 328383042 /nfs/dbraw/zinc/38/30/42/328383042.db2.gz LLLHCOHOUZQLPK-AZUAARDMSA-N 2 1 294.442 3.756 20 0 CHADMP c1ccc([C@@H](CC2CC2)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000531989760 328384692 /nfs/dbraw/zinc/38/46/92/328384692.db2.gz VPRWCAGNIMODLQ-LJQANCHMSA-N 2 1 284.447 3.744 20 0 CHADMP C1CC1[NH+]1CCC([NH2+][C@@H]2CCCCC23CCCC3)CC1 ZINC000312761391 326962782 /nfs/dbraw/zinc/96/27/82/326962782.db2.gz NQPDBTZPWIIIQA-QGZVFWFLSA-N 2 1 276.468 3.706 20 0 CHADMP CCCC[C@@H](C)[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000558160315 327076778 /nfs/dbraw/zinc/07/67/78/327076778.db2.gz ZMJJNPUPGHHFRO-DQIHPLBOSA-N 2 1 266.473 3.806 20 0 CHADMP CCCC[C@@H](C)[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000558160315 327076780 /nfs/dbraw/zinc/07/67/80/327076780.db2.gz ZMJJNPUPGHHFRO-DQIHPLBOSA-N 2 1 266.473 3.806 20 0 CHADMP C[C@@H]1C[N@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000262047288 327088741 /nfs/dbraw/zinc/08/87/41/327088741.db2.gz CNCILXXYNZUJBF-BEFAXECRSA-N 2 1 296.414 3.648 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000262047288 327088742 /nfs/dbraw/zinc/08/87/42/327088742.db2.gz CNCILXXYNZUJBF-BEFAXECRSA-N 2 1 296.414 3.648 20 0 CHADMP CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000558490906 327098338 /nfs/dbraw/zinc/09/83/38/327098338.db2.gz LQDIVKOYWKIUFN-USXIJHARSA-N 2 1 276.468 3.585 20 0 CHADMP CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000558490906 327098340 /nfs/dbraw/zinc/09/83/40/327098340.db2.gz LQDIVKOYWKIUFN-USXIJHARSA-N 2 1 276.468 3.585 20 0 CHADMP Cc1cc(Cl)cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000559247272 327149806 /nfs/dbraw/zinc/14/98/06/327149806.db2.gz MQAZMIBMOGHHHQ-UHFFFAOYSA-N 2 1 292.854 3.755 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261597677 327151990 /nfs/dbraw/zinc/15/19/90/327151990.db2.gz ATBSQOGTTQQEHN-MDASCCDHSA-N 2 1 280.415 3.585 20 0 CHADMP FCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000569604165 327209345 /nfs/dbraw/zinc/20/93/45/327209345.db2.gz LOCQUJSFOLGDHU-QGZVFWFLSA-N 2 1 290.426 3.523 20 0 CHADMP FCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000569604165 327209346 /nfs/dbraw/zinc/20/93/46/327209346.db2.gz LOCQUJSFOLGDHU-QGZVFWFLSA-N 2 1 290.426 3.523 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]CC23CCC(CC2)C3)C[C@@H]1c1ccccc1 ZINC000559788062 327261324 /nfs/dbraw/zinc/26/13/24/327261324.db2.gz BZHAYWCTFXIAOU-UMIMFARRSA-N 2 1 298.474 3.992 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC23CCC(CC2)C3)C[C@@H]1c1ccccc1 ZINC000559788062 327261325 /nfs/dbraw/zinc/26/13/25/327261325.db2.gz BZHAYWCTFXIAOU-UMIMFARRSA-N 2 1 298.474 3.992 20 0 CHADMP CCC1CC([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000560248496 327293533 /nfs/dbraw/zinc/29/35/33/327293533.db2.gz MUGZTJZWVRVBES-RYTJFDOTSA-N 2 1 266.473 3.523 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000521943964 327313705 /nfs/dbraw/zinc/31/37/05/327313705.db2.gz ADGXVUULJWPJLO-MRXNPFEDSA-N 2 1 278.484 3.811 20 0 CHADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000560527665 327318822 /nfs/dbraw/zinc/31/88/22/327318822.db2.gz NLUDYOCYGABFQR-KBPBESRZSA-N 2 1 298.421 3.606 20 0 CHADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000560527665 327318823 /nfs/dbraw/zinc/31/88/23/327318823.db2.gz NLUDYOCYGABFQR-KBPBESRZSA-N 2 1 298.421 3.606 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@H]2C(C)C)c1 ZINC000560530289 327319836 /nfs/dbraw/zinc/31/98/36/327319836.db2.gz QBYJVEUDIXRDDR-ZWKOTPCHSA-N 2 1 274.452 3.663 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C2CCCC2)[C@H]2CCC[C@@H]21 ZINC000560542668 327321855 /nfs/dbraw/zinc/32/18/55/327321855.db2.gz FCZUOPIFOLVPMN-IKGGRYGDSA-N 2 1 278.484 3.665 20 0 CHADMP C[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C)c1cccc(Cl)c1 ZINC000574846856 327386110 /nfs/dbraw/zinc/38/61/10/327386110.db2.gz VALDJTLWCIGESG-JKIFEVAISA-N 2 1 294.870 3.716 20 0 CHADMP C[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C)c1cccc(Cl)c1 ZINC000574846856 327386111 /nfs/dbraw/zinc/38/61/11/327386111.db2.gz VALDJTLWCIGESG-JKIFEVAISA-N 2 1 294.870 3.716 20 0 CHADMP C[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C)c1cccc(Cl)c1 ZINC000574846856 327386112 /nfs/dbraw/zinc/38/61/12/327386112.db2.gz VALDJTLWCIGESG-JKIFEVAISA-N 2 1 294.870 3.716 20 0 CHADMP C[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)c1cccc(Cl)c1 ZINC000574846856 327386114 /nfs/dbraw/zinc/38/61/14/327386114.db2.gz VALDJTLWCIGESG-JKIFEVAISA-N 2 1 294.870 3.716 20 0 CHADMP CCc1cccnc1[C@H](C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000507460416 332806674 /nfs/dbraw/zinc/80/66/74/332806674.db2.gz ICLOZTUIEITVSR-ZDUSSCGKSA-N 2 1 289.467 3.604 20 0 CHADMP CCC[C@H]([NH2+]CCn1cc[nH+]c1C)C1CCCCC1 ZINC000532495116 328782427 /nfs/dbraw/zinc/78/24/27/328782427.db2.gz YWFFTELLZYGNAX-INIZCTEOSA-N 2 1 263.429 3.530 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000193998570 329064598 /nfs/dbraw/zinc/06/45/98/329064598.db2.gz FFXFFSUGPMLJJY-LMMKCTJWSA-N 2 1 288.479 3.842 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000193998570 329064600 /nfs/dbraw/zinc/06/46/00/329064600.db2.gz FFXFFSUGPMLJJY-LMMKCTJWSA-N 2 1 288.479 3.842 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000193998570 329064601 /nfs/dbraw/zinc/06/46/01/329064601.db2.gz FFXFFSUGPMLJJY-LMMKCTJWSA-N 2 1 288.479 3.842 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CC[C@H](C)c1ccccc1 ZINC000194193974 329067143 /nfs/dbraw/zinc/06/71/43/329067143.db2.gz DFHJLCVCISNXLZ-HOTGVXAUSA-N 2 1 285.435 3.611 20 0 CHADMP CC1=C[C@H](C)C[C@H](C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000582479471 329095304 /nfs/dbraw/zinc/09/53/04/329095304.db2.gz YNXGVPZIWSMLKQ-IPELMVKDSA-N 2 1 290.495 3.643 20 0 CHADMP CC1=C[C@H](C)C[C@H](C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000582479471 329095305 /nfs/dbraw/zinc/09/53/05/329095305.db2.gz YNXGVPZIWSMLKQ-IPELMVKDSA-N 2 1 290.495 3.643 20 0 CHADMP CC1=C[C@H](C)C[C@H](C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000582479471 329095306 /nfs/dbraw/zinc/09/53/06/329095306.db2.gz YNXGVPZIWSMLKQ-IPELMVKDSA-N 2 1 290.495 3.643 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@H]3CC=CCC3)CC23CC3)cc1 ZINC000582486755 329096833 /nfs/dbraw/zinc/09/68/33/329096833.db2.gz QXPUNPPRLIOAOS-RBUKOAKNSA-N 2 1 296.458 3.882 20 0 CHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+][C@H]3CC=CCC3)CC23CC3)cc1 ZINC000582486755 329096835 /nfs/dbraw/zinc/09/68/35/329096835.db2.gz QXPUNPPRLIOAOS-RBUKOAKNSA-N 2 1 296.458 3.882 20 0 CHADMP CC[C@@H]1CCC[C@@H](C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000394505769 329124375 /nfs/dbraw/zinc/12/43/75/329124375.db2.gz GIRWECUMJCKKRF-BRWVUGGUSA-N 2 1 266.473 3.523 20 0 CHADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)CC2CC2)c1 ZINC000177978765 329191039 /nfs/dbraw/zinc/19/10/39/329191039.db2.gz VGJAGAOCUOCZOM-HNNXBMFYSA-N 2 1 274.452 3.805 20 0 CHADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1CCC1 ZINC000178392027 329199514 /nfs/dbraw/zinc/19/95/14/329199514.db2.gz KSRWGYBSQPRNKR-CVEARBPZSA-N 2 1 286.463 3.990 20 0 CHADMP c1ccc([C@@H]2CCCCC[N@@H+]2CC2CC[NH2+]CC2)cc1 ZINC000178959458 329203367 /nfs/dbraw/zinc/20/33/67/329203367.db2.gz ZQDTYKJVUSZYQI-SFHVURJKSA-N 2 1 272.436 3.603 20 0 CHADMP CC[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@@H]1c1ccccc1 ZINC000178976866 329203635 /nfs/dbraw/zinc/20/36/35/329203635.db2.gz TUSUALKRJMMNPO-MJGOQNOKSA-N 2 1 286.463 3.502 20 0 CHADMP CC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccccc1F ZINC000180442502 329216962 /nfs/dbraw/zinc/21/69/62/329216962.db2.gz BQNISMAIUXENOJ-SUMWQHHRSA-N 2 1 289.398 3.708 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000183185234 329245440 /nfs/dbraw/zinc/24/54/40/329245440.db2.gz PJCPGKAVYNRHDI-OWCLPIDISA-N 2 1 290.451 3.892 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000183185234 329245441 /nfs/dbraw/zinc/24/54/41/329245441.db2.gz PJCPGKAVYNRHDI-OWCLPIDISA-N 2 1 290.451 3.892 20 0 CHADMP CC1=CCC[C@H](C)[C@H]1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000584378549 329306934 /nfs/dbraw/zinc/30/69/34/329306934.db2.gz NYFLATXQIJMOKJ-WDSOQIARSA-N 2 1 290.495 3.643 20 0 CHADMP CCC1(CC)CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000186540530 329345026 /nfs/dbraw/zinc/34/50/26/329345026.db2.gz DAXXEKYKBGHAHF-UHFFFAOYSA-N 2 1 277.456 3.874 20 0 CHADMP CC(C)[N@@H+](C)CCCN[C@H](C)c1csc(Cl)c1 ZINC000230407766 329367643 /nfs/dbraw/zinc/36/76/43/329367643.db2.gz OJJUVOKCQPQABB-LLVKDONJSA-N 2 1 274.861 3.782 20 0 CHADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1csc(Cl)c1 ZINC000230407766 329367645 /nfs/dbraw/zinc/36/76/45/329367645.db2.gz OJJUVOKCQPQABB-LLVKDONJSA-N 2 1 274.861 3.782 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1csc(Cl)c1 ZINC000230407766 329367646 /nfs/dbraw/zinc/36/76/46/329367646.db2.gz OJJUVOKCQPQABB-LLVKDONJSA-N 2 1 274.861 3.782 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1C[C@H]1C ZINC000321750474 329396393 /nfs/dbraw/zinc/39/63/93/329396393.db2.gz ASHZBFRBXWWKQK-VYDRJQSISA-N 2 1 286.463 3.674 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1C[C@H]1C ZINC000321750474 329396394 /nfs/dbraw/zinc/39/63/94/329396394.db2.gz ASHZBFRBXWWKQK-VYDRJQSISA-N 2 1 286.463 3.674 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)C(C)C)CC1 ZINC000162135696 329973895 /nfs/dbraw/zinc/97/38/95/329973895.db2.gz UUOZRWPULUNCEP-INIZCTEOSA-N 2 1 274.452 3.594 20 0 CHADMP CC[C@@H](C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000421871768 330100445 /nfs/dbraw/zinc/10/04/45/330100445.db2.gz GEHSZLNSVJVAHH-OQIJWPOYSA-N 2 1 286.463 3.818 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379626007 330143214 /nfs/dbraw/zinc/14/32/14/330143214.db2.gz GMAFYXKXWHPZPV-QFBILLFUSA-N 2 1 286.463 3.819 20 0 CHADMP C[C@H]1C[C@H]([NH2+]CC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000379626007 330143215 /nfs/dbraw/zinc/14/32/15/330143215.db2.gz GMAFYXKXWHPZPV-QFBILLFUSA-N 2 1 286.463 3.819 20 0 CHADMP CCC(CC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379656118 330146513 /nfs/dbraw/zinc/14/65/13/330146513.db2.gz OBOQRDAHCXGMQR-MAUKXSAKSA-N 2 1 274.452 3.818 20 0 CHADMP CCC(CC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379656118 330146515 /nfs/dbraw/zinc/14/65/15/330146515.db2.gz OBOQRDAHCXGMQR-MAUKXSAKSA-N 2 1 274.452 3.818 20 0 CHADMP c1ccc(CCC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000422730308 330152416 /nfs/dbraw/zinc/15/24/16/330152416.db2.gz JNYUFYQISXPUQP-UXHICEINSA-N 2 1 294.442 3.702 20 0 CHADMP Cc1cccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000422810152 330156158 /nfs/dbraw/zinc/15/61/58/330156158.db2.gz SVUIWHPJCHEZHY-RTBURBONSA-N 2 1 280.415 3.578 20 0 CHADMP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000423297184 330188771 /nfs/dbraw/zinc/18/87/71/330188771.db2.gz JBVFXQFOSKSHPW-IONNQARKSA-N 2 1 293.263 3.617 20 0 CHADMP CCc1ccc(C(C)(C)C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000422841463 330157300 /nfs/dbraw/zinc/15/73/00/330157300.db2.gz VXEJJFHPIAVFIC-AWEZNQCLSA-N 2 1 297.446 3.685 20 0 CHADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000422850521 330157433 /nfs/dbraw/zinc/15/74/33/330157433.db2.gz VZFSPIZTKJXCIC-QLFBSQMISA-N 2 1 294.439 3.612 20 0 CHADMP CCC(CC)C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422859132 330157784 /nfs/dbraw/zinc/15/77/84/330157784.db2.gz JLLMOUNUNDLIJY-DLBZAZTESA-N 2 1 260.425 3.506 20 0 CHADMP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccccc1Oc1ccccc1 ZINC000422883510 330159200 /nfs/dbraw/zinc/15/92/00/330159200.db2.gz VDMWKFOBHGQBEV-HUUCEWRRSA-N 2 1 296.414 3.737 20 0 CHADMP C[C@H]([NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1)[C@@H]1CC[NH2+]C1 ZINC000422940339 330161599 /nfs/dbraw/zinc/16/15/99/330161599.db2.gz MXVJXSOTTOXHSI-WDEREUQCSA-N 2 1 299.245 3.570 20 0 CHADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422941252 330161708 /nfs/dbraw/zinc/16/17/08/330161708.db2.gz UTESFAIVNOBRAK-QYZOEREBSA-N 2 1 278.399 3.717 20 0 CHADMP C(=C\c1ccccc1)\C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422972812 330164625 /nfs/dbraw/zinc/16/46/25/330164625.db2.gz AKFSUCSFSAISKM-MCFDBRLESA-N 2 1 292.426 3.783 20 0 CHADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000423121351 330171120 /nfs/dbraw/zinc/17/11/20/330171120.db2.gz IKTFDIGLAXSWDG-IJLUTSLNSA-N 2 1 284.856 3.638 20 0 CHADMP CC(F)(F)c1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000423127298 330171523 /nfs/dbraw/zinc/17/15/23/330171523.db2.gz BUGZWXFMFLAHQV-LSDHHAIUSA-N 2 1 282.378 3.548 20 0 CHADMP Cc1ccc(C(C)(C)C[NH2+][C@H](C)c2c[nH+]ccc2N)c(C)c1 ZINC000423132470 330171795 /nfs/dbraw/zinc/17/17/95/330171795.db2.gz PDILWRDGXYNHSE-OAHLLOKOSA-N 2 1 297.446 3.739 20 0 CHADMP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccc(F)c2ccccc21 ZINC000423130904 330171982 /nfs/dbraw/zinc/17/19/82/330171982.db2.gz SMYRNHHEMHNDJN-SNUQEOBHSA-N 2 1 286.394 3.770 20 0 CHADMP CC[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000423148164 330172776 /nfs/dbraw/zinc/17/27/76/330172776.db2.gz UQFFYEVDRNAZBA-KFZJALRRSA-N 2 1 292.854 3.706 20 0 CHADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c(F)cccc32)c2ccccc21 ZINC000423149502 330172902 /nfs/dbraw/zinc/17/29/02/330172902.db2.gz XNLIOCMRKGSLSV-CEXWTWQISA-N 2 1 296.389 3.938 20 0 CHADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1cnc2ccsc2c1 ZINC000423175651 330174901 /nfs/dbraw/zinc/17/49/01/330174901.db2.gz FGMWQIFOEUWRPT-LBPRGKRZSA-N 2 1 289.448 3.609 20 0 CHADMP CC(C)[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccccc1 ZINC000423180985 330175466 /nfs/dbraw/zinc/17/54/66/330175466.db2.gz BQZWNGNOZJNPOX-IBGZPJMESA-N 2 1 297.446 3.548 20 0 CHADMP CC[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)C1CCCCC1 ZINC000423194536 330176332 /nfs/dbraw/zinc/17/63/32/330176332.db2.gz YYPVNULTRXOGEV-SFHVURJKSA-N 2 1 289.467 3.510 20 0 CHADMP C[NH2+]CCC[NH2+][C@H](c1ccccc1)c1cc(C)ccc1C ZINC000423201883 330176791 /nfs/dbraw/zinc/17/67/91/330176791.db2.gz QDMZGUHIXYJNOM-LJQANCHMSA-N 2 1 282.431 3.592 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1F ZINC000423211312 330177906 /nfs/dbraw/zinc/17/79/06/330177906.db2.gz KWTLBVNREHFVSD-BXUZGUMPSA-N 2 1 284.806 3.519 20 0 CHADMP c1ccc2c(c1)sc1c2CCC[C@H]1[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423233564 330181194 /nfs/dbraw/zinc/18/11/94/330181194.db2.gz KCJOCTZDDXWFAZ-IUODEOHRSA-N 2 1 286.444 3.620 20 0 CHADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000423258484 330183492 /nfs/dbraw/zinc/18/34/92/330183492.db2.gz BODAGHORSNNLMJ-TVQRCGJNSA-N 2 1 275.223 3.627 20 0 CHADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423259987 330183720 /nfs/dbraw/zinc/18/37/20/330183720.db2.gz GJISUAGYCSALHV-BEFAXECRSA-N 2 1 297.446 3.773 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000423260683 330183851 /nfs/dbraw/zinc/18/38/51/330183851.db2.gz IBKIJYXWVUEVJN-USXIJHARSA-N 2 1 294.870 3.939 20 0 CHADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(F)c(F)c1 ZINC000423266790 330184192 /nfs/dbraw/zinc/18/41/92/330184192.db2.gz SDLLHDSDMHPVNT-MEDUHNTESA-N 2 1 282.378 3.523 20 0 CHADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000423267677 330184407 /nfs/dbraw/zinc/18/44/07/330184407.db2.gz DBCAOUCMNYIXEN-KBPBESRZSA-N 2 1 287.234 3.771 20 0 CHADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(-c2ccccc2)cc1 ZINC000423272351 330184723 /nfs/dbraw/zinc/18/47/23/330184723.db2.gz HWFBQRPDJJJHIP-KUHUBIRLSA-N 2 1 280.415 3.742 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000423271492 330184741 /nfs/dbraw/zinc/18/47/41/330184741.db2.gz XUHSIKISJLTCBN-GFJIZPEISA-N 2 1 294.405 3.707 20 0 CHADMP CCC[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000423272019 330184822 /nfs/dbraw/zinc/18/48/22/330184822.db2.gz HURGVLXZMHBAPJ-CABCVRRESA-N 2 1 266.816 3.508 20 0 CHADMP [NH3+]C[C@@H]([NH2+][C@H]1CCCc2c3ccccc3sc21)C1CC1 ZINC000423276189 330185191 /nfs/dbraw/zinc/18/51/91/330185191.db2.gz MPJOECTZEPLEFE-LSDHHAIUSA-N 2 1 286.444 3.606 20 0 CHADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc(-c2ccccc2)c1 ZINC000423282493 330185786 /nfs/dbraw/zinc/18/57/86/330185786.db2.gz VDTJBVWPJWGEEE-AUUYWEPGSA-N 2 1 280.415 3.742 20 0 CHADMP CC[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000423286451 330186139 /nfs/dbraw/zinc/18/61/39/330186139.db2.gz HJJFEMNNNHVQJP-LBPRGKRZSA-N 2 1 275.223 3.771 20 0 CHADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000423289530 330186438 /nfs/dbraw/zinc/18/64/38/330186438.db2.gz XKHDJQBARIYYHH-GFCCVEGCSA-N 2 1 266.454 3.577 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000423294287 330187933 /nfs/dbraw/zinc/18/79/33/330187933.db2.gz BSTLFIKCNUOIIQ-SMDDNHRTSA-N 2 1 254.805 3.508 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000423297060 330188497 /nfs/dbraw/zinc/18/84/97/330188497.db2.gz IOHBFJZWNZAIFX-OCCSQVGLSA-N 2 1 266.454 3.577 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](CCC)c1ccsc1 ZINC000423297356 330188573 /nfs/dbraw/zinc/18/85/73/330188573.db2.gz JXSYIQOIPGCZDQ-UONOGXRCSA-N 2 1 254.443 3.696 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000423304322 330189294 /nfs/dbraw/zinc/18/92/94/330189294.db2.gz YJDDSLGMFAZAKU-SUMWQHHRSA-N 2 1 285.435 3.652 20 0 CHADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(F)cc1Cl ZINC000423327550 330190764 /nfs/dbraw/zinc/19/07/64/330190764.db2.gz LJGVTQPCKVUZID-NHYWBVRUSA-N 2 1 284.806 3.519 20 0 CHADMP [NH3+]C1(C[NH2+][C@@H]2CCCSc3ccc(Cl)cc32)CCC1 ZINC000423338285 330191812 /nfs/dbraw/zinc/19/18/12/330191812.db2.gz WACGZHNXOSIPKR-CYBMUJFWSA-N 2 1 296.867 3.738 20 0 CHADMP [NH3+]C1(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)CCC1 ZINC000423335920 330191883 /nfs/dbraw/zinc/19/18/83/330191883.db2.gz UJVPWGNRVADOPC-AWEZNQCLSA-N 2 1 298.352 3.628 20 0 CHADMP CC(C)[C@@H]([NH2+][C@H](C)C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000423340122 330192135 /nfs/dbraw/zinc/19/21/35/330192135.db2.gz WWTXMRCVBYLZOM-NOZJJQNGSA-N 2 1 275.223 3.627 20 0 CHADMP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(Cl)cc1F ZINC000423367918 330194737 /nfs/dbraw/zinc/19/47/37/330194737.db2.gz AUHDTOYEKQRYGT-KFNAQCHYSA-N 2 1 298.833 3.906 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(SC2CCCC2)cc1 ZINC000423373839 330195630 /nfs/dbraw/zinc/19/56/30/330195630.db2.gz SJCFDMRBIBKPMK-QWHCGFSZSA-N 2 1 278.465 3.719 20 0 CHADMP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423396432 330195704 /nfs/dbraw/zinc/19/57/04/330195704.db2.gz UEEPZWHMWXDLLT-DYEKYZERSA-N 2 1 296.842 3.530 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)C2CCCC2)o1 ZINC000423404138 330196600 /nfs/dbraw/zinc/19/66/00/330196600.db2.gz YTQDDYMAVIEGEB-SRCQZFHVSA-N 2 1 276.424 3.549 20 0 CHADMP CC(C)[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(Cl)cc1F ZINC000423405862 330196747 /nfs/dbraw/zinc/19/67/47/330196747.db2.gz UEKAVFUUAXMZSZ-UVBJJODRSA-N 2 1 298.833 3.764 20 0 CHADMP C[C@@H](C[NH3+])[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000423404729 330196768 /nfs/dbraw/zinc/19/67/68/330196768.db2.gz SRZYDQJWZHTCGA-NHYWBVRUSA-N 2 1 266.816 3.508 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC[NH2+]1 ZINC000423379315 330198914 /nfs/dbraw/zinc/19/89/14/330198914.db2.gz NBBOAGNJMBIRBK-SCDSUCTJSA-N 2 1 296.867 3.607 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)C1CCC(F)(F)CC1 ZINC000423390576 330200443 /nfs/dbraw/zinc/20/04/43/330200443.db2.gz ONQROURPQBQNHH-TZMCWYRMSA-N 2 1 288.426 3.568 20 0 CHADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2ccccc2)c1 ZINC000423434574 330201091 /nfs/dbraw/zinc/20/10/91/330201091.db2.gz CZOMIAJSXBASKF-KFWWJZLASA-N 2 1 268.404 3.740 20 0 CHADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000423432761 330201099 /nfs/dbraw/zinc/20/10/99/330201099.db2.gz BMJZCLRDJCALFT-SLEUVZQESA-N 2 1 266.404 3.628 20 0 CHADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000423459457 330203872 /nfs/dbraw/zinc/20/38/72/330203872.db2.gz IBQWXGYXYAUTQG-PBHICJAKSA-N 2 1 298.430 3.750 20 0 CHADMP Cc1ccc([C@@H]([NH2+]CCC[NH2+]C2CC2)C2CCCC2)o1 ZINC000423570000 330212146 /nfs/dbraw/zinc/21/21/46/330212146.db2.gz WOJURDOZVWHNSD-KRWDZBQOSA-N 2 1 276.424 3.551 20 0 CHADMP Cc1c(C)c(C)c(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1C ZINC000536841625 330236209 /nfs/dbraw/zinc/23/62/09/330236209.db2.gz VZPLHOWOZBJPNB-SGTLLEGYSA-N 2 1 288.479 3.801 20 0 CHADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000527726295 330277503 /nfs/dbraw/zinc/27/75/03/330277503.db2.gz HCKJJTCNVHRNLH-MSOLQXFVSA-N 2 1 297.446 3.669 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)[C@@H]2CC23CC3)cc1F ZINC000527851826 330288475 /nfs/dbraw/zinc/28/84/75/330288475.db2.gz MWPYADKNAMARJM-DOMZBBRYSA-N 2 1 299.393 3.598 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)CCc2ccccc2)C1 ZINC000527855326 330288864 /nfs/dbraw/zinc/28/88/64/330288864.db2.gz WAYUZHBNFUUNNI-RBUKOAKNSA-N 2 1 288.479 3.719 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC12CC2 ZINC000527887972 330292000 /nfs/dbraw/zinc/29/20/00/330292000.db2.gz VEJRTLQROBQMLE-QFHJOOASSA-N 2 1 298.474 3.675 20 0 CHADMP CC[C@@H](CCc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000527901033 330293537 /nfs/dbraw/zinc/29/35/37/330293537.db2.gz ANVHDJNOSJUPHA-QBUWPKIASA-N 2 1 286.463 3.613 20 0 CHADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc3ccccc3c1)CC[NH2+]CC2 ZINC000424296797 330336277 /nfs/dbraw/zinc/33/62/77/330336277.db2.gz SIDVAWSFGGCXKN-MRXNPFEDSA-N 2 1 294.442 3.804 20 0 CHADMP C[C@H]([NH2+][C@@H]1C[C@H]1C1CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424315518 330339215 /nfs/dbraw/zinc/33/92/15/330339215.db2.gz AAOCYNKKSBVRDM-JOCLIGHLSA-N 2 1 298.474 3.675 20 0 CHADMP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424375737 330348405 /nfs/dbraw/zinc/34/84/05/330348405.db2.gz NUEWUSGFMNMQJE-RAIGVLPGSA-N 2 1 295.496 3.670 20 0 CHADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424375736 330348469 /nfs/dbraw/zinc/34/84/69/330348469.db2.gz NUEWUSGFMNMQJE-CYZMBNFOSA-N 2 1 295.496 3.670 20 0 CHADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000045689603 330348651 /nfs/dbraw/zinc/34/86/51/330348651.db2.gz HUDLQVBNAPXDHT-KKUMJFAQSA-N 2 1 254.462 3.521 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000129460018 330375692 /nfs/dbraw/zinc/37/56/92/330375692.db2.gz STQUMQHQVYAFGD-INIZCTEOSA-N 2 1 280.843 3.649 20 0 CHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000120834058 330392848 /nfs/dbraw/zinc/39/28/48/330392848.db2.gz OFKHAABIMWXDQZ-INIZCTEOSA-N 2 1 299.462 3.626 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC000090585370 330393825 /nfs/dbraw/zinc/39/38/25/330393825.db2.gz CVSHIRQZOZOBBN-CVEARBPZSA-N 2 1 278.440 3.607 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)o1 ZINC000090585370 330393826 /nfs/dbraw/zinc/39/38/26/330393826.db2.gz CVSHIRQZOZOBBN-CVEARBPZSA-N 2 1 278.440 3.607 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000315528216 330476727 /nfs/dbraw/zinc/47/67/27/330476727.db2.gz FTQMAHKXQGASMM-OAHLLOKOSA-N 2 1 285.435 3.741 20 0 CHADMP CCCCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434661976 330642608 /nfs/dbraw/zinc/64/26/08/330642608.db2.gz KKFDRIXLGFZEIJ-UHFFFAOYSA-N 2 1 275.440 3.589 20 0 CHADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H](C)C1CCSCC1 ZINC000449383346 330921304 /nfs/dbraw/zinc/92/13/04/330921304.db2.gz GRAJCJUBNIVKMT-RDJZCZTQSA-N 2 1 298.540 3.618 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000451300732 331023681 /nfs/dbraw/zinc/02/36/81/331023681.db2.gz VSGIEBCEKQWDKH-IHRRRGAJSA-N 2 1 292.389 3.572 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2sccc21 ZINC000453076623 331086968 /nfs/dbraw/zinc/08/69/68/331086968.db2.gz JIVCWDKBTGFLFR-WWGRRREGSA-N 2 1 290.476 3.760 20 0 CHADMP CC(C)=CCC[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453389393 331127086 /nfs/dbraw/zinc/12/70/86/331127086.db2.gz CGPNCZUMBUSTSF-HNNXBMFYSA-N 2 1 252.446 3.585 20 0 CHADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@H]1CCCC[C@H]1C ZINC000453389989 331127167 /nfs/dbraw/zinc/12/71/67/331127167.db2.gz CPNYATBBTAROID-HLLBOEOZSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1ccc(CC[C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000453394512 331127868 /nfs/dbraw/zinc/12/78/68/331127868.db2.gz GXGDFXWAAMKIEG-KRWDZBQOSA-N 2 1 288.479 3.780 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@H](C)C2 ZINC000453400421 331128646 /nfs/dbraw/zinc/12/86/46/331128646.db2.gz MCHBHGGWEFXGHC-DNVCBOLYSA-N 2 1 286.463 3.692 20 0 CHADMP C[N@@H+](CCCC[NH2+][C@H]1CCCc2ccccc21)C1CC1 ZINC000453421276 331130677 /nfs/dbraw/zinc/13/06/77/331130677.db2.gz LGWDXBUCEDJKQM-SFHVURJKSA-N 2 1 272.436 3.528 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000453444957 331132105 /nfs/dbraw/zinc/13/21/05/331132105.db2.gz ZIZQUFCUFOEUKK-HNNXBMFYSA-N 2 1 260.425 3.520 20 0 CHADMP C[C@@H](CC[NH2+]CCCC[N@@H+](C)C1CC1)c1ccccc1 ZINC000453595749 331135442 /nfs/dbraw/zinc/13/54/42/331135442.db2.gz KRHGWTCEPLAEDV-INIZCTEOSA-N 2 1 274.452 3.644 20 0 CHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(C3CC3)cc2)C1 ZINC000459341884 331276989 /nfs/dbraw/zinc/27/69/89/331276989.db2.gz OTEUHDKUWUWJRN-SFHVURJKSA-N 2 1 298.474 3.728 20 0 CHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000459341884 331276990 /nfs/dbraw/zinc/27/69/90/331276990.db2.gz OTEUHDKUWUWJRN-SFHVURJKSA-N 2 1 298.474 3.728 20 0 CHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000459341884 331276991 /nfs/dbraw/zinc/27/69/91/331276991.db2.gz OTEUHDKUWUWJRN-SFHVURJKSA-N 2 1 298.474 3.728 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000459427373 331280853 /nfs/dbraw/zinc/28/08/53/331280853.db2.gz NIXZWZXXGXIFKQ-KRWDZBQOSA-N 2 1 286.463 3.774 20 0 CHADMP COc1ccc(C)cc1[C@@H](C)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000459655932 331292413 /nfs/dbraw/zinc/29/24/13/331292413.db2.gz JBVYAHVWXCHTHU-HZPDHXFCSA-N 2 1 290.451 3.529 20 0 CHADMP COc1ccc(C)cc1[C@@H](C)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000459655932 331292414 /nfs/dbraw/zinc/29/24/14/331292414.db2.gz JBVYAHVWXCHTHU-HZPDHXFCSA-N 2 1 290.451 3.529 20 0 CHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000459726832 331296161 /nfs/dbraw/zinc/29/61/61/331296161.db2.gz BVIOYAJEEHPROY-NZSAHSFTSA-N 2 1 286.463 3.644 20 0 CHADMP Cc1cccc(CC[C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000459729686 331296414 /nfs/dbraw/zinc/29/64/14/331296414.db2.gz DILDNPYRCFKHIX-PKOBYXMFSA-N 2 1 288.479 3.638 20 0 CHADMP CCSc1cccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000459732337 331296523 /nfs/dbraw/zinc/29/65/23/331296523.db2.gz FTFOVOXZISRBPN-OAHLLOKOSA-N 2 1 292.492 3.620 20 0 CHADMP C[C@H](CCC(C)(C)C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459794431 331301341 /nfs/dbraw/zinc/30/13/41/331301341.db2.gz UTTHLPNOVJAULN-HUUCEWRRSA-N 2 1 254.462 3.523 20 0 CHADMP CC[NH+](CC)[C@@H](C)C[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000510685149 332911577 /nfs/dbraw/zinc/91/15/77/332911577.db2.gz JVLSTRQBBUOFAZ-KBPBESRZSA-N 2 1 298.421 3.606 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000474472819 331588660 /nfs/dbraw/zinc/58/86/60/331588660.db2.gz OTYKJPDKSJJBKO-OIISXLGYSA-N 2 1 277.456 3.632 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000510962949 332922181 /nfs/dbraw/zinc/92/21/81/332922181.db2.gz SRCSDDCXMVPURB-RBUKOAKNSA-N 2 1 297.446 3.898 20 0 CHADMP C[C@@H](c1ccc2c(c1)CCC2)[N@@H+](C)C[C@@H]1CCCN(C)C1 ZINC000489845909 332069971 /nfs/dbraw/zinc/06/99/71/332069971.db2.gz ZKEIUONXRBLUJF-JKSUJKDBSA-N 2 1 286.463 3.510 20 0 CHADMP C[C@@H](c1ccc2c(c1)CCC2)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000489845909 332069972 /nfs/dbraw/zinc/06/99/72/332069972.db2.gz ZKEIUONXRBLUJF-JKSUJKDBSA-N 2 1 286.463 3.510 20 0 CHADMP C[C@@H](c1ccc2c(c1)CCC2)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000489845909 332069973 /nfs/dbraw/zinc/06/99/73/332069973.db2.gz ZKEIUONXRBLUJF-JKSUJKDBSA-N 2 1 286.463 3.510 20 0 CHADMP C[C@@H](c1ccc2c(c1)CCC2)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000489845909 332069974 /nfs/dbraw/zinc/06/99/74/332069974.db2.gz ZKEIUONXRBLUJF-JKSUJKDBSA-N 2 1 286.463 3.510 20 0 CHADMP C[C@@H](c1ccc2c(c1)CCC2)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000489845909 332069975 /nfs/dbraw/zinc/06/99/75/332069975.db2.gz ZKEIUONXRBLUJF-JKSUJKDBSA-N 2 1 286.463 3.510 20 0 CHADMP Cc1ccc([C@@H]2C[C@@H](C)[N@H+](CC[C@H]3CCC[NH+]3C)C2)cc1 ZINC000490033632 332077515 /nfs/dbraw/zinc/07/75/15/332077515.db2.gz PYPDPMCFNMADKI-BHIYHBOVSA-N 2 1 286.463 3.657 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC000490043021 332077988 /nfs/dbraw/zinc/07/79/88/332077988.db2.gz PIINYIGNAZOPAH-VQIMIIECSA-N 2 1 297.446 3.768 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC000490043021 332077989 /nfs/dbraw/zinc/07/79/89/332077989.db2.gz PIINYIGNAZOPAH-VQIMIIECSA-N 2 1 297.446 3.768 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)CCC2 ZINC000490228096 332085070 /nfs/dbraw/zinc/08/50/70/332085070.db2.gz YTXUAEIGBBBYMV-QGWWYQLQSA-N 2 1 286.463 3.691 20 0 CHADMP C(CC[NH+]1CC[C@@H](C2CC2)C1)CC[N@H+]1CC[C@@H](C2CC2)C1 ZINC000491115234 332151088 /nfs/dbraw/zinc/15/10/88/332151088.db2.gz DSUUGVJJMOKWAB-RTBURBONSA-N 2 1 290.495 3.621 20 0 CHADMP C[N@@H+](C1CCN(Cc2ccccc2)CC1)[C@@H]1C=CCCC1 ZINC000172268912 335099002 /nfs/dbraw/zinc/09/90/02/335099002.db2.gz VMWNIFYOEKWHBB-GOSISDBHSA-N 2 1 284.447 3.692 20 0 CHADMP C[C@@H](C[NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000252203443 334376857 /nfs/dbraw/zinc/37/68/57/334376857.db2.gz UOYWQACWGYAADK-DLBZAZTESA-N 2 1 274.452 3.644 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCc2c1cccc2Cl ZINC000554721589 334448468 /nfs/dbraw/zinc/44/84/68/334448468.db2.gz YADOFTLAWRLBLY-INIZCTEOSA-N 2 1 289.810 3.512 20 0 CHADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000575790449 335115285 /nfs/dbraw/zinc/11/52/85/335115285.db2.gz MBXXABNCUSLTOM-UONOGXRCSA-N 2 1 282.859 3.762 20 0 CHADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000575790449 335115286 /nfs/dbraw/zinc/11/52/86/335115286.db2.gz MBXXABNCUSLTOM-UONOGXRCSA-N 2 1 282.859 3.762 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000513111775 333004849 /nfs/dbraw/zinc/00/48/49/333004849.db2.gz MJHINGVVAHEFKT-MCIONIFRSA-N 2 1 292.389 3.572 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000513111775 333004850 /nfs/dbraw/zinc/00/48/50/333004850.db2.gz MJHINGVVAHEFKT-MCIONIFRSA-N 2 1 292.389 3.572 20 0 CHADMP C[C@@H]1C[C@@H](CC[NH2+]C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000513545566 333024778 /nfs/dbraw/zinc/02/47/78/333024778.db2.gz RGVASHMYGIDCJY-SJLPKXTDSA-N 2 1 286.463 3.819 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309681507 333047211 /nfs/dbraw/zinc/04/72/11/333047211.db2.gz ASKYQNGKGNPEAR-DWRORGKVSA-N 2 1 288.479 3.921 20 0 CHADMP CCC(CC)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309759386 333048968 /nfs/dbraw/zinc/04/89/68/333048968.db2.gz CQCQKKBNDKBEIT-LPHOPBHVSA-N 2 1 288.479 3.923 20 0 CHADMP C[C@@H]([NH2+]C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309813908 333049807 /nfs/dbraw/zinc/04/98/07/333049807.db2.gz XHNTVCMSPNKWLV-AEFFLSMTSA-N 2 1 286.463 3.819 20 0 CHADMP CC(C)CC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309891352 333050992 /nfs/dbraw/zinc/05/09/92/333050992.db2.gz DUBDXCBVQVOYCN-SJLPKXTDSA-N 2 1 274.452 3.533 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)C2CCCCC2)C1 ZINC000177299214 333057095 /nfs/dbraw/zinc/05/70/95/333057095.db2.gz CPGXIRYLKOORBA-HOTGVXAUSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000516711867 333081180 /nfs/dbraw/zinc/08/11/80/333081180.db2.gz XFMCZWZAXIWVAS-BBWFWOEESA-N 2 1 278.484 3.689 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1CCC[C@H](C)C1 ZINC000516815291 333083276 /nfs/dbraw/zinc/08/32/76/333083276.db2.gz MRPMABHELFKDTB-DLBZAZTESA-N 2 1 291.483 3.984 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1CCC[C@H](C)C1 ZINC000516815291 333083277 /nfs/dbraw/zinc/08/32/77/333083277.db2.gz MRPMABHELFKDTB-DLBZAZTESA-N 2 1 291.483 3.984 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)C2CCCCCC2)C1 ZINC000517439400 333098991 /nfs/dbraw/zinc/09/89/91/333098991.db2.gz WVHFOVUHAAVWAL-HZPDHXFCSA-N 2 1 266.473 3.665 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC(C)=C[C@H](C)C2)C1 ZINC000520904363 333107698 /nfs/dbraw/zinc/10/76/98/333107698.db2.gz IFKGARGEQJPPAS-RYQLBKOJSA-N 2 1 278.484 3.643 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CC(C)=C[C@H](C)C2)C1 ZINC000520904363 333107699 /nfs/dbraw/zinc/10/76/99/333107699.db2.gz IFKGARGEQJPPAS-RYQLBKOJSA-N 2 1 278.484 3.643 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CC(C)=C[C@H](C)C2)C1 ZINC000520904363 333107700 /nfs/dbraw/zinc/10/77/00/333107700.db2.gz IFKGARGEQJPPAS-RYQLBKOJSA-N 2 1 278.484 3.643 20 0 CHADMP CC[C@@H](F)CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000521253648 333116636 /nfs/dbraw/zinc/11/66/36/333116636.db2.gz CQYVDTVNMDSKSI-LSDHHAIUSA-N 2 1 298.471 3.558 20 0 CHADMP Cc1cccc([C@H]2CC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)c1 ZINC000564157469 333124873 /nfs/dbraw/zinc/12/48/73/333124873.db2.gz OYHINVOFYJFREF-RBUKOAKNSA-N 2 1 286.463 3.659 20 0 CHADMP Cc1cccc([C@@H]2CC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)c1 ZINC000564157462 333124952 /nfs/dbraw/zinc/12/49/52/333124952.db2.gz OYHINVOFYJFREF-MOPGFXCFSA-N 2 1 286.463 3.659 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(SCC)c2)C1 ZINC000185487360 333141460 /nfs/dbraw/zinc/14/14/60/333141460.db2.gz JNYZGVQFTIPKRD-INIZCTEOSA-N 2 1 292.492 3.620 20 0 CHADMP CSc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000219149034 333142959 /nfs/dbraw/zinc/14/29/59/333142959.db2.gz JVNBEHJOIWVCFC-CQSZACIVSA-N 2 1 280.481 3.789 20 0 CHADMP COc1ccsc1[C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000186184490 333156487 /nfs/dbraw/zinc/15/64/87/333156487.db2.gz VPRSTGLNUZFOJN-CQSZACIVSA-N 2 1 298.496 3.916 20 0 CHADMP CCc1ccc([C@H](CC)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000224111135 333216919 /nfs/dbraw/zinc/21/69/19/333216919.db2.gz KPIIDHVZCXHACW-QGTPRVQTSA-N 2 1 274.452 3.772 20 0 CHADMP CCc1ccc([C@H](CC)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000224111135 333216920 /nfs/dbraw/zinc/21/69/20/333216920.db2.gz KPIIDHVZCXHACW-QGTPRVQTSA-N 2 1 274.452 3.772 20 0 CHADMP C[C@@H](c1ccc(F)cc1)[N@H+](C)CCC[NH+]1CCCCC1 ZINC000195632299 333258050 /nfs/dbraw/zinc/25/80/50/333258050.db2.gz ZIHNLYSEIGOQRV-HNNXBMFYSA-N 2 1 278.415 3.695 20 0 CHADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000195632299 333258052 /nfs/dbraw/zinc/25/80/52/333258052.db2.gz ZIHNLYSEIGOQRV-HNNXBMFYSA-N 2 1 278.415 3.695 20 0 CHADMP C[C@@H]1CCC[C@H](CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000226858727 333271052 /nfs/dbraw/zinc/27/10/52/333271052.db2.gz GFQRVPHKZDVFHZ-ZHCJQAHYSA-N 2 1 266.473 3.521 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2cccs2)C2CCCC2)C1 ZINC000226918735 333272151 /nfs/dbraw/zinc/27/21/51/333272151.db2.gz SZAUIFLXOZCTFI-YOEHRIQHSA-N 2 1 292.492 3.911 20 0 CHADMP Cc1oc2ccccc2c1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000230154724 333315177 /nfs/dbraw/zinc/31/51/77/333315177.db2.gz ABYYUPJPTGIBOF-UHFFFAOYSA-N 2 1 274.408 3.561 20 0 CHADMP Cc1oc2ccccc2c1C[NH2+]CCC[N@H+](C)C(C)C ZINC000230154724 333315178 /nfs/dbraw/zinc/31/51/78/333315178.db2.gz ABYYUPJPTGIBOF-UHFFFAOYSA-N 2 1 274.408 3.561 20 0 CHADMP Cc1cc(C)cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000524757733 333387154 /nfs/dbraw/zinc/38/71/54/333387154.db2.gz HKEURCLOEUZVCF-GOSISDBHSA-N 2 1 286.463 3.611 20 0 CHADMP CCCC[C@H](CC)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000546930634 334055774 /nfs/dbraw/zinc/05/57/74/334055774.db2.gz KQYQNGCBZOSJPC-ULQDDVLXSA-N 2 1 266.473 3.619 20 0 CHADMP CCCC[C@H](CC)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000546930634 334055775 /nfs/dbraw/zinc/05/57/75/334055775.db2.gz KQYQNGCBZOSJPC-ULQDDVLXSA-N 2 1 266.473 3.619 20 0 CHADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C=CCCC1 ZINC000076109774 334072776 /nfs/dbraw/zinc/07/27/76/334072776.db2.gz OCOMCFQUCYFCEC-MOPGFXCFSA-N 2 1 284.447 3.549 20 0 CHADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C=CCCC1 ZINC000076109774 334072777 /nfs/dbraw/zinc/07/27/77/334072777.db2.gz OCOMCFQUCYFCEC-MOPGFXCFSA-N 2 1 284.447 3.549 20 0 CHADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C=CCCC1 ZINC000076109774 334072778 /nfs/dbraw/zinc/07/27/78/334072778.db2.gz OCOMCFQUCYFCEC-MOPGFXCFSA-N 2 1 284.447 3.549 20 0 CHADMP CCC[N@H+](C/C=C\c1ccc(F)cc1)CCC[NH+](C)C ZINC000564322410 334092814 /nfs/dbraw/zinc/09/28/14/334092814.db2.gz MSLZUMXSSCDKHT-ALCCZGGFSA-N 2 1 278.415 3.503 20 0 CHADMP CCC[C@@H]1CCCC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000547832341 334124895 /nfs/dbraw/zinc/12/48/95/334124895.db2.gz SSUJPSAWHXWFOZ-HZPDHXFCSA-N 2 1 263.429 3.530 20 0 CHADMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2ccccc2F)C1 ZINC000245417087 334191401 /nfs/dbraw/zinc/19/14/01/334191401.db2.gz FTDGPIHZLMGREF-CABCVRRESA-N 2 1 278.415 3.550 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2ccccc2F)C1 ZINC000245417087 334191403 /nfs/dbraw/zinc/19/14/03/334191403.db2.gz FTDGPIHZLMGREF-CABCVRRESA-N 2 1 278.415 3.550 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC000245417087 334191405 /nfs/dbraw/zinc/19/14/05/334191405.db2.gz FTDGPIHZLMGREF-CABCVRRESA-N 2 1 278.415 3.550 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2ccccc2F)C1 ZINC000245417087 334191407 /nfs/dbraw/zinc/19/14/07/334191407.db2.gz FTDGPIHZLMGREF-CABCVRRESA-N 2 1 278.415 3.550 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CCN([C@H](C)c2ccc(F)cc2F)C1 ZINC000245428088 334192326 /nfs/dbraw/zinc/19/23/26/334192326.db2.gz MKTSPBIMKTUMAL-ZIAGYGMSSA-N 2 1 296.405 3.690 20 0 CHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(F)c(F)c2)C1 ZINC000245456808 334194444 /nfs/dbraw/zinc/19/44/44/334194444.db2.gz JGDXCOWLJNLWDC-KGLIPLIRSA-N 2 1 296.405 3.736 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(F)c(F)c2)C1 ZINC000245456808 334194445 /nfs/dbraw/zinc/19/44/45/334194445.db2.gz JGDXCOWLJNLWDC-KGLIPLIRSA-N 2 1 296.405 3.736 20 0 CHADMP C1=C[C@H]([N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCCCC1 ZINC000549464168 334194682 /nfs/dbraw/zinc/19/46/82/334194682.db2.gz LEAPTGPBWSVOGO-ROUUACIJSA-N 2 1 276.468 3.826 20 0 CHADMP C[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)C1CCCCC1 ZINC000549471878 334194924 /nfs/dbraw/zinc/19/49/24/334194924.db2.gz PJWIWNRNQWTHEO-BPQIPLTHSA-N 2 1 278.484 3.619 20 0 CHADMP C[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C1CCCCC1 ZINC000549471878 334194925 /nfs/dbraw/zinc/19/49/25/334194925.db2.gz PJWIWNRNQWTHEO-BPQIPLTHSA-N 2 1 278.484 3.619 20 0 CHADMP C[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C1CCCCC1 ZINC000549471878 334194926 /nfs/dbraw/zinc/19/49/26/334194926.db2.gz PJWIWNRNQWTHEO-BPQIPLTHSA-N 2 1 278.484 3.619 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000081568194 334196944 /nfs/dbraw/zinc/19/69/44/334196944.db2.gz LVRADUGFSNRJIX-QFBILLFUSA-N 2 1 286.463 3.728 20 0 CHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCc2ccccc2Cl)C1 ZINC000081570061 334197204 /nfs/dbraw/zinc/19/72/04/334197204.db2.gz AOMRHGYZBNYSOB-HNNXBMFYSA-N 2 1 294.870 3.546 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCc2ccccc2Cl)C1 ZINC000081570061 334197205 /nfs/dbraw/zinc/19/72/05/334197205.db2.gz AOMRHGYZBNYSOB-HNNXBMFYSA-N 2 1 294.870 3.546 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCc2ccccc2Cl)C1 ZINC000081570061 334197206 /nfs/dbraw/zinc/19/72/06/334197206.db2.gz AOMRHGYZBNYSOB-HNNXBMFYSA-N 2 1 294.870 3.546 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccccc2Cl)C1 ZINC000081570061 334197207 /nfs/dbraw/zinc/19/72/07/334197207.db2.gz AOMRHGYZBNYSOB-HNNXBMFYSA-N 2 1 294.870 3.546 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]CCc1ccc(C(C)C)cc1 ZINC000138597528 334222087 /nfs/dbraw/zinc/22/20/87/334222087.db2.gz XQEZLXKHANOPCM-UHFFFAOYSA-N 2 1 299.462 3.927 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]CC2CCCC2)C[C@H]1c1ccccc1 ZINC000550621564 334225437 /nfs/dbraw/zinc/22/54/37/334225437.db2.gz BIQWBAPECXCWNR-ROUUACIJSA-N 2 1 272.436 3.602 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC2CCCC2)C[C@H]1c1ccccc1 ZINC000550621564 334225438 /nfs/dbraw/zinc/22/54/38/334225438.db2.gz BIQWBAPECXCWNR-ROUUACIJSA-N 2 1 272.436 3.602 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]C2CCCCC2)C[C@@H]1c1ccccc1 ZINC000550996310 334235762 /nfs/dbraw/zinc/23/57/62/334235762.db2.gz RINJRTICHNDLIX-QZTJIDSGSA-N 2 1 272.436 3.744 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]C2CCCCC2)C[C@@H]1c1ccccc1 ZINC000550996310 334235763 /nfs/dbraw/zinc/23/57/63/334235763.db2.gz RINJRTICHNDLIX-QZTJIDSGSA-N 2 1 272.436 3.744 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(C2CC2)c1 ZINC000551050630 334237177 /nfs/dbraw/zinc/23/71/77/334237177.db2.gz JKAHUXPTOMLHHN-LSDHHAIUSA-N 2 1 272.436 3.556 20 0 CHADMP C[N@@H+](CCCC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000564381297 334257528 /nfs/dbraw/zinc/25/75/28/334257528.db2.gz RJEPHNCYMXWOEN-JWTNVVGKSA-N 2 1 278.484 3.904 20 0 CHADMP C[NH+](CCCC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000564381297 334257529 /nfs/dbraw/zinc/25/75/29/334257529.db2.gz RJEPHNCYMXWOEN-JWTNVVGKSA-N 2 1 278.484 3.904 20 0 CHADMP C[NH+](CCCC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000564381297 334257531 /nfs/dbraw/zinc/25/75/31/334257531.db2.gz RJEPHNCYMXWOEN-JWTNVVGKSA-N 2 1 278.484 3.904 20 0 CHADMP CC[C@H](CSc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246455167 334258371 /nfs/dbraw/zinc/25/83/71/334258371.db2.gz PLRHBWRKSNKRKK-ARFHVFGLSA-N 2 1 292.492 3.630 20 0 CHADMP CC[C@H](CSc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246455167 334258372 /nfs/dbraw/zinc/25/83/72/334258372.db2.gz PLRHBWRKSNKRKK-ARFHVFGLSA-N 2 1 292.492 3.630 20 0 CHADMP CC(C)C1CCC([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000246866707 334270880 /nfs/dbraw/zinc/27/08/80/334270880.db2.gz CTSWUPQNAQNAEO-VAZJSPDQSA-N 2 1 266.473 3.520 20 0 CHADMP CCc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000246861215 334270931 /nfs/dbraw/zinc/27/09/31/334270931.db2.gz CLZJTUYUXGSJKL-MAUKXSAKSA-N 2 1 288.479 3.599 20 0 CHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC000246880851 334271098 /nfs/dbraw/zinc/27/10/98/334271098.db2.gz DAAMAGIQCOKUIR-HUUCEWRRSA-N 2 1 278.415 3.597 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC000246880825 334271165 /nfs/dbraw/zinc/27/11/65/334271165.db2.gz DAAMAGIQCOKUIR-CABCVRRESA-N 2 1 278.415 3.597 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)c2cccc(C)c2)C1 ZINC000247521397 334284071 /nfs/dbraw/zinc/28/40/71/334284071.db2.gz NKISXFISDZQGOS-IAGOWNOFSA-N 2 1 274.452 3.720 20 0 CHADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247949357 334291964 /nfs/dbraw/zinc/29/19/64/334291964.db2.gz DXAVUFMQUADJBK-KYZVSKTDSA-N 2 1 290.426 3.521 20 0 CHADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247949357 334291965 /nfs/dbraw/zinc/29/19/65/334291965.db2.gz DXAVUFMQUADJBK-KYZVSKTDSA-N 2 1 290.426 3.521 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000247967736 334292386 /nfs/dbraw/zinc/29/23/86/334292386.db2.gz FATHSGGOIZHWPB-MOPGFXCFSA-N 2 1 286.463 3.568 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000247967736 334292388 /nfs/dbraw/zinc/29/23/88/334292388.db2.gz FATHSGGOIZHWPB-MOPGFXCFSA-N 2 1 286.463 3.568 20 0 CHADMP CC1=CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000552133215 334293509 /nfs/dbraw/zinc/29/35/09/334293509.db2.gz BNGLXSIIPQIZAM-IHPCNDPISA-N 2 1 298.474 3.985 20 0 CHADMP CC1=CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000552133215 334293510 /nfs/dbraw/zinc/29/35/10/334293510.db2.gz BNGLXSIIPQIZAM-IHPCNDPISA-N 2 1 298.474 3.985 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000552248724 334308589 /nfs/dbraw/zinc/30/85/89/334308589.db2.gz QWCKWZYFQGGAGQ-AABGKKOBSA-N 2 1 294.442 3.802 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1csc(Cl)c1 ZINC000248722505 334315011 /nfs/dbraw/zinc/31/50/11/334315011.db2.gz SYSQBHRZUWPGBL-CYZMBNFOSA-N 2 1 286.872 3.925 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2ccccc2o1 ZINC000248790810 334317523 /nfs/dbraw/zinc/31/75/23/334317523.db2.gz DILJQEMXINZUNJ-BPUTZDHNSA-N 2 1 284.403 3.710 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc2ccccc2o1 ZINC000248790810 334317524 /nfs/dbraw/zinc/31/75/24/334317524.db2.gz DILJQEMXINZUNJ-BPUTZDHNSA-N 2 1 284.403 3.710 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1C ZINC000552337195 334318182 /nfs/dbraw/zinc/31/81/82/334318182.db2.gz PJJYERVBCRBPBG-HOTGVXAUSA-N 2 1 260.425 3.520 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1C ZINC000552337195 334318183 /nfs/dbraw/zinc/31/81/83/334318183.db2.gz PJJYERVBCRBPBG-HOTGVXAUSA-N 2 1 260.425 3.520 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC[C@H](C)c2ccccc2)C1 ZINC000248830180 334319091 /nfs/dbraw/zinc/31/90/91/334319091.db2.gz HDFOYQUGVGNRRS-ROUUACIJSA-N 2 1 288.479 3.844 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)CCC2CC2)C1 ZINC000248992145 334323981 /nfs/dbraw/zinc/32/39/81/334323981.db2.gz LHCAPZSCEDURTJ-NVXWUHKLSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000249086905 334327117 /nfs/dbraw/zinc/32/71/17/334327117.db2.gz JCFBJZKGPWRUQG-QRQLOZEOSA-N 2 1 286.463 3.677 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](C)c2cccc(Cl)c2)C1 ZINC000249250153 334330495 /nfs/dbraw/zinc/33/04/95/334330495.db2.gz BWZBXTVZQLCQEC-GJZGRUSLSA-N 2 1 294.870 3.765 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cccc(O)c1 ZINC000249410632 334333598 /nfs/dbraw/zinc/33/35/98/334333598.db2.gz CSYMXYBUBUBLAC-HZPDHXFCSA-N 2 1 290.451 3.555 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(C)cc2)C2CCC2)C1 ZINC000249838351 334340962 /nfs/dbraw/zinc/34/09/62/334340962.db2.gz FRANYLXMAQJEJF-APWZRJJASA-N 2 1 286.463 3.768 20 0 CHADMP Cc1ccsc1[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000250871211 334352473 /nfs/dbraw/zinc/35/24/73/334352473.db2.gz KPOUILXTPVQOBA-CABCVRRESA-N 2 1 280.481 3.972 20 0 CHADMP CCC(C)(C)C1CCC([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000252715731 334386162 /nfs/dbraw/zinc/38/61/62/334386162.db2.gz WOBLRRKFTNIWJO-RDHHWEPZSA-N 2 1 280.500 3.911 20 0 CHADMP CCC(C)(C)C1CCC([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000252715731 334386164 /nfs/dbraw/zinc/38/61/64/334386164.db2.gz WOBLRRKFTNIWJO-RDHHWEPZSA-N 2 1 280.500 3.911 20 0 CHADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000252732703 334387925 /nfs/dbraw/zinc/38/79/25/334387925.db2.gz WIFKKZDEDGMRFI-JEWKTJRQSA-N 2 1 292.854 3.516 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000252732703 334387926 /nfs/dbraw/zinc/38/79/26/334387926.db2.gz WIFKKZDEDGMRFI-JEWKTJRQSA-N 2 1 292.854 3.516 20 0 CHADMP CC[C@H](NCCC[N@H+]1CCCC[C@H]1C)c1ccc(F)cn1 ZINC000252769397 334392034 /nfs/dbraw/zinc/39/20/34/334392034.db2.gz JVPRNBMYUARFHP-ZBFHGGJFSA-N 2 1 293.430 3.526 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000267253004 334696156 /nfs/dbraw/zinc/69/61/56/334696156.db2.gz ONYGJCQQNDQRKK-QGZVFWFLSA-N 2 1 271.408 3.569 20 0 CHADMP CCC[C@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000576464813 335207284 /nfs/dbraw/zinc/20/72/84/335207284.db2.gz QNRNHEVIWPXEIQ-UCHQMPSGSA-N 2 1 264.457 3.560 20 0 CHADMP CC(C)C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000344299161 335246535 /nfs/dbraw/zinc/24/65/35/335246535.db2.gz OQTQVPVPYFWWNX-GOSISDBHSA-N 2 1 272.436 3.625 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000576907768 335262753 /nfs/dbraw/zinc/26/27/53/335262753.db2.gz PMDLPKKTKMKIQQ-NZSAHSFTSA-N 2 1 286.463 3.643 20 0 CHADMP C[C@@H](C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1cccc(Cl)c1 ZINC000577062580 335293914 /nfs/dbraw/zinc/29/39/14/335293914.db2.gz LOGQTASFDZIMLW-WMLDXEAASA-N 2 1 292.854 3.519 20 0 CHADMP CC(C)=CCC[C@@H](C)CC[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000192947259 335329065 /nfs/dbraw/zinc/32/90/65/335329065.db2.gz KWNIVFRXWAOBRM-SJORKVTESA-N 2 1 278.484 3.833 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+](C)C1CCC(C(C)(C)C)CC1 ZINC000577742079 335395462 /nfs/dbraw/zinc/39/54/62/335395462.db2.gz VYBUVHRRTWXYQK-UHFFFAOYSA-N 2 1 291.483 3.889 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+](C)C1CCC(C(C)(C)C)CC1 ZINC000577742079 335395464 /nfs/dbraw/zinc/39/54/64/335395464.db2.gz VYBUVHRRTWXYQK-UHFFFAOYSA-N 2 1 291.483 3.889 20 0 CHADMP Cc1ccc(C2CC([NH2+][C@H](C)C[N@H+](C)C(C)C)C2)cc1 ZINC000380954242 336040816 /nfs/dbraw/zinc/04/08/16/336040816.db2.gz KVFJNCXBDUXXFD-FAEJEUNOSA-N 2 1 274.452 3.559 20 0 CHADMP Cc1ccc(C2CC([NH2+][C@H](C)C[N@@H+](C)C(C)C)C2)cc1 ZINC000380954242 336040817 /nfs/dbraw/zinc/04/08/17/336040817.db2.gz KVFJNCXBDUXXFD-FAEJEUNOSA-N 2 1 274.452 3.559 20 0 CHADMP C[NH+](C)CCC[N@H+](C)Cc1cc(-c2ccccc2)cs1 ZINC000581422230 336074331 /nfs/dbraw/zinc/07/43/31/336074331.db2.gz ZKXYNAUPJAUNFD-UHFFFAOYSA-N 2 1 288.460 3.799 20 0 CHADMP C[NH+](C)CCC[N@@H+](C)Cc1cc(-c2ccccc2)cs1 ZINC000581422230 336074332 /nfs/dbraw/zinc/07/43/32/336074332.db2.gz ZKXYNAUPJAUNFD-UHFFFAOYSA-N 2 1 288.460 3.799 20 0 CHADMP CC(C)C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1cccs1 ZINC000581496398 336089910 /nfs/dbraw/zinc/08/99/10/336089910.db2.gz CGZPDXZXFUKUPH-HNNXBMFYSA-N 2 1 291.464 3.791 20 0 CHADMP C[C@H]1C[C@H]([N@@H+](C)CCC2CCCCCC2)CCN1C ZINC000581778398 336145963 /nfs/dbraw/zinc/14/59/63/336145963.db2.gz LXHDXMQXOHFMQY-DOTOQJQBSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)CCC2CCCCCC2)CC[N@@H+]1C ZINC000581778398 336145965 /nfs/dbraw/zinc/14/59/65/336145965.db2.gz LXHDXMQXOHFMQY-DOTOQJQBSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@H]1C[C@H]([NH+](C)CCC2CCCCCC2)CC[N@H+]1C ZINC000581778398 336145966 /nfs/dbraw/zinc/14/59/66/336145966.db2.gz LXHDXMQXOHFMQY-DOTOQJQBSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@H]1C[C@H]([N@H+](C)CCC2CCCCCC2)CC[NH+]1C ZINC000581778398 336145968 /nfs/dbraw/zinc/14/59/68/336145968.db2.gz LXHDXMQXOHFMQY-DOTOQJQBSA-N 2 1 266.473 3.761 20 0 CHADMP C[C@H]1C[C@H]([N@@H+](C)CCC2CCCCCC2)CC[NH+]1C ZINC000581778398 336145970 /nfs/dbraw/zinc/14/59/70/336145970.db2.gz LXHDXMQXOHFMQY-DOTOQJQBSA-N 2 1 266.473 3.761 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]CC2CCCCC2)C[C@@H]1c1ccccc1 ZINC000581838629 336150531 /nfs/dbraw/zinc/15/05/31/336150531.db2.gz WCFPQVOVQQIRIH-RBUKOAKNSA-N 2 1 286.463 3.992 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC2CCCCC2)C[C@@H]1c1ccccc1 ZINC000581838629 336150533 /nfs/dbraw/zinc/15/05/33/336150533.db2.gz WCFPQVOVQQIRIH-RBUKOAKNSA-N 2 1 286.463 3.992 20 0 CHADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(C(F)(F)F)s1 ZINC000339408459 519796279 /nfs/dbraw/zinc/79/62/79/519796279.db2.gz HTARIZVGNVNAFU-NSHDSACASA-N 2 1 294.386 3.572 20 0 CHADMP C[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)[C@@H](C)c1ccc(Cl)cc1 ZINC000474616231 518183218 /nfs/dbraw/zinc/18/32/18/518183218.db2.gz YOJZLXIEYKWOBJ-IIYDPXPESA-N 2 1 294.870 3.762 20 0 CHADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc(C(F)(F)F)s1 ZINC000339408459 519796278 /nfs/dbraw/zinc/79/62/78/519796278.db2.gz HTARIZVGNVNAFU-NSHDSACASA-N 2 1 294.386 3.572 20 0 CHADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000127846505 519821603 /nfs/dbraw/zinc/82/16/03/519821603.db2.gz BGPAQWZNTRRHPU-KURKYZTESA-N 2 1 272.436 3.600 20 0 CHADMP CC(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000275491063 519839197 /nfs/dbraw/zinc/83/91/97/519839197.db2.gz JBICBQWVYJAYKN-HZPDHXFCSA-N 2 1 297.446 3.920 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000264988542 520400477 /nfs/dbraw/zinc/40/04/77/520400477.db2.gz MJLLWGJNCWXSQL-INIZCTEOSA-N 2 1 289.467 3.587 20 0 CHADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(OC)c2)CC1 ZINC000037150434 520577382 /nfs/dbraw/zinc/57/73/82/520577382.db2.gz IHVUJJUVVCDMDH-HNNXBMFYSA-N 2 1 290.451 3.610 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000068690435 520623691 /nfs/dbraw/zinc/62/36/91/520623691.db2.gz LLLLJQYLYHSYLX-ZDUSSCGKSA-N 2 1 291.464 3.679 20 0 CHADMP CC[NH+](CC)Cc1cccc(CNc2cccc(C)[nH+]2)c1 ZINC000157132158 520755132 /nfs/dbraw/zinc/75/51/32/520755132.db2.gz ZUGSEHDTEZAQMP-UHFFFAOYSA-N 2 1 283.419 3.844 20 0 CHADMP CC1=C[C@@H](C)C[C@@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000365660593 520880570 /nfs/dbraw/zinc/88/05/70/520880570.db2.gz GKOSZZMFLIZTSG-KTALTATCSA-N 2 1 276.468 3.536 20 0 CHADMP CC1=C[C@@H](C)C[C@@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000365660593 520880581 /nfs/dbraw/zinc/88/05/81/520880581.db2.gz GKOSZZMFLIZTSG-KTALTATCSA-N 2 1 276.468 3.536 20 0 CHADMP CC1=C[C@@H](C)C[C@@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000365660593 520880587 /nfs/dbraw/zinc/88/05/87/520880587.db2.gz GKOSZZMFLIZTSG-KTALTATCSA-N 2 1 276.468 3.536 20 0 CHADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000275782135 521582897 /nfs/dbraw/zinc/58/28/97/521582897.db2.gz XFNUFKKFCHDGMS-OALUTQOASA-N 2 1 286.463 3.571 20 0 CHADMP C[NH+]1CCC([NH2+][C@@H](c2ccc(F)cc2)C(C)(C)C)CC1 ZINC000037119041 523777702 /nfs/dbraw/zinc/77/77/02/523777702.db2.gz NBVDDWFKEMXJNL-INIZCTEOSA-N 2 1 278.415 3.597 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]CCC2(F)CCC2)C[C@H]1c1ccccc1 ZINC000340394295 523987609 /nfs/dbraw/zinc/98/76/09/523987609.db2.gz ORLFSEIKKGFNKS-IRXDYDNUSA-N 2 1 290.426 3.694 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CCC2(F)CCC2)C[C@H]1c1ccccc1 ZINC000340394295 523987612 /nfs/dbraw/zinc/98/76/12/523987612.db2.gz ORLFSEIKKGFNKS-IRXDYDNUSA-N 2 1 290.426 3.694 20 0 CHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ccco2)C1 ZINC000069706743 524236326 /nfs/dbraw/zinc/23/63/26/524236326.db2.gz AOUQJSDDADQBDO-MRXNPFEDSA-N 2 1 298.430 3.801 20 0 CHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccco2)C1 ZINC000069706743 524236332 /nfs/dbraw/zinc/23/63/32/524236332.db2.gz AOUQJSDDADQBDO-MRXNPFEDSA-N 2 1 298.430 3.801 20 0 CHADMP C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000119704913 524370998 /nfs/dbraw/zinc/37/09/98/524370998.db2.gz NQKKSPDYDBRVHA-IFXJQAMLSA-N 2 1 284.447 3.841 20 0 CHADMP C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)s1)C[NH+]1CCCC1 ZINC000062078375 524494587 /nfs/dbraw/zinc/49/45/87/524494587.db2.gz CZYOIBVAZRSGNY-NEPJUHHUSA-N 2 1 286.872 3.784 20 0 CHADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)o1 ZINC000067668379 524586338 /nfs/dbraw/zinc/58/63/38/524586338.db2.gz UBURQOSRSGMPOI-UHFFFAOYSA-N 2 1 286.419 3.718 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000129666087 524804340 /nfs/dbraw/zinc/80/43/40/524804340.db2.gz JNZNKAWWMVEMRZ-BBRMVZONSA-N 2 1 294.870 3.690 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc2ccccc2c1 ZINC000037248822 525293516 /nfs/dbraw/zinc/29/35/16/525293516.db2.gz UBXLQVDIGINFSP-AWEZNQCLSA-N 2 1 268.404 3.585 20 0 CHADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cc2ccccc2s1 ZINC000276683402 525373563 /nfs/dbraw/zinc/37/35/63/525373563.db2.gz QWQIVNMFBGDERY-LBPRGKRZSA-N 2 1 285.416 3.528 20 0 CHADMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(Cl)cn1 ZINC000274740682 525395333 /nfs/dbraw/zinc/39/53/33/525395333.db2.gz AEFBVUOIBRIIFR-LLVKDONJSA-N 2 1 295.858 3.695 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)CC[N@@H+]1C ZINC000275418913 525448251 /nfs/dbraw/zinc/44/82/51/525448251.db2.gz BUNUEIVYMMTDJA-LFVTVUPYSA-N 2 1 290.426 3.534 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)CC[N@H+]1C ZINC000275418913 525448260 /nfs/dbraw/zinc/44/82/60/525448260.db2.gz BUNUEIVYMMTDJA-LFVTVUPYSA-N 2 1 290.426 3.534 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2ccccc2c1 ZINC000093978076 525567185 /nfs/dbraw/zinc/56/71/85/525567185.db2.gz ZCEYHYFIYXPBTR-ZRGWGRIASA-N 2 1 282.431 3.973 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2ccccc2c1 ZINC000093978076 525567190 /nfs/dbraw/zinc/56/71/90/525567190.db2.gz ZCEYHYFIYXPBTR-ZRGWGRIASA-N 2 1 282.431 3.973 20 0 CHADMP c1ccc([C@@H]2CC[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000130341856 526492932 /nfs/dbraw/zinc/49/29/32/526492932.db2.gz XNBRYFCXUYQHDG-SJLPKXTDSA-N 2 1 284.447 3.539 20 0 CHADMP c1coc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000057970659 526567656 /nfs/dbraw/zinc/56/76/56/526567656.db2.gz SVIFRPTZTIUDRC-UHFFFAOYSA-N 2 1 298.430 3.945 20 0 CHADMP Cc1oc2ccccc2c1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000290395760 526786697 /nfs/dbraw/zinc/78/66/97/526786697.db2.gz JBEVLEWOYNJBDR-GUYCJALGSA-N 2 1 286.419 3.513 20 0 CHADMP Cc1oc2ccccc2c1C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000290395760 526786700 /nfs/dbraw/zinc/78/67/00/526786700.db2.gz JBEVLEWOYNJBDR-GUYCJALGSA-N 2 1 286.419 3.513 20 0 CHADMP Cc1oc2ccccc2c1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000290395760 526786702 /nfs/dbraw/zinc/78/67/02/526786702.db2.gz JBEVLEWOYNJBDR-GUYCJALGSA-N 2 1 286.419 3.513 20 0 CHADMP Cc1oc2ccccc2c1C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000290395760 526786704 /nfs/dbraw/zinc/78/67/04/526786704.db2.gz JBEVLEWOYNJBDR-GUYCJALGSA-N 2 1 286.419 3.513 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCSC1CCCCC1 ZINC000337321529 527408561 /nfs/dbraw/zinc/40/85/61/527408561.db2.gz QHADDKRFLAFYIT-UHFFFAOYSA-N 2 1 295.496 3.579 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)CCSC1CCCCC1 ZINC000337321529 527408566 /nfs/dbraw/zinc/40/85/66/527408566.db2.gz QHADDKRFLAFYIT-UHFFFAOYSA-N 2 1 295.496 3.579 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(F)F)c2)C[C@H]1C ZINC000348057849 527757468 /nfs/dbraw/zinc/75/74/68/527757468.db2.gz UESBDFCYUIVEII-CZUORRHYSA-N 2 1 296.405 3.929 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(F)F)c2)C[C@H]1C ZINC000348057849 527757474 /nfs/dbraw/zinc/75/74/74/527757474.db2.gz UESBDFCYUIVEII-CZUORRHYSA-N 2 1 296.405 3.929 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C(F)F)c2)C[C@H]1C ZINC000348057849 527757476 /nfs/dbraw/zinc/75/74/76/527757476.db2.gz UESBDFCYUIVEII-CZUORRHYSA-N 2 1 296.405 3.929 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C(F)F)c2)C[C@H]1C ZINC000348057849 527757479 /nfs/dbraw/zinc/75/74/79/527757479.db2.gz UESBDFCYUIVEII-CZUORRHYSA-N 2 1 296.405 3.929 20 0 CHADMP CC[NH+](CC)Cc1ccccc1CNc1cccc(C)[nH+]1 ZINC000114183859 528199917 /nfs/dbraw/zinc/19/99/17/528199917.db2.gz KVRGPABWOLBWCE-UHFFFAOYSA-N 2 1 283.419 3.844 20 0 CHADMP CC(C)c1ncc(C[N@@H+](CCC[NH3+])CC2CCCC2)s1 ZINC000352535718 528349731 /nfs/dbraw/zinc/34/97/31/528349731.db2.gz UTBVQGYKSWZWEU-UHFFFAOYSA-N 2 1 295.496 3.608 20 0 CHADMP CCCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192933111 528893526 /nfs/dbraw/zinc/89/35/26/528893526.db2.gz IKYYUGWXPGUPSY-WMZOPIPTSA-N 2 1 274.452 3.677 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCCCC1 ZINC000222024823 1125472060 /nfs/dbraw/zinc/47/20/60/1125472060.db2.gz PXHOCDZPBORMQC-BBWFWOEESA-N 2 1 264.457 3.562 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)C1CCCCC1 ZINC000222024823 1125472065 /nfs/dbraw/zinc/47/20/65/1125472065.db2.gz PXHOCDZPBORMQC-BBWFWOEESA-N 2 1 264.457 3.562 20 0 CHADMP Cc1nc(C)c([C@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)s1 ZINC000184499616 1118054201 /nfs/dbraw/zinc/05/42/01/1118054201.db2.gz HKRJSOGFACILTQ-STQMWFEESA-N 2 1 295.496 3.675 20 0 CHADMP CC1=C(C)C[C@H]([C@@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC001659951230 1118494760 /nfs/dbraw/zinc/49/47/60/1118494760.db2.gz FVRGRBXIYVASSX-BRWVUGGUSA-N 2 1 266.473 3.830 20 0 CHADMP CC1=C(C)C[C@H]([C@@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C)CC1 ZINC001659951230 1118494759 /nfs/dbraw/zinc/49/47/59/1118494759.db2.gz FVRGRBXIYVASSX-BRWVUGGUSA-N 2 1 266.473 3.830 20 0 CHADMP FC(F)(F)CCCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000154062302 1119300554 /nfs/dbraw/zinc/30/05/54/1119300554.db2.gz KUIYPAUNAXMSPA-CQSZACIVSA-N 2 1 292.389 3.669 20 0 CHADMP FC(F)(F)CCCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000154062302 1119300556 /nfs/dbraw/zinc/30/05/56/1119300556.db2.gz KUIYPAUNAXMSPA-CQSZACIVSA-N 2 1 292.389 3.669 20 0 CHADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000132116734 1125500018 /nfs/dbraw/zinc/50/00/18/1125500018.db2.gz XOKUYPKGLVAZCF-LBPRGKRZSA-N 2 1 297.512 3.813 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)(C)C(F)F ZINC000658229239 1119706667 /nfs/dbraw/zinc/70/66/67/1119706667.db2.gz BBAUSGXFSWGZKW-CHWSQXEVSA-N 2 1 288.426 3.663 20 0 CHADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414198945 1119934933 /nfs/dbraw/zinc/93/49/33/1119934933.db2.gz XADYARSRZFMWRS-ULQDDVLXSA-N 2 1 266.473 3.523 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](C)CC(C)C ZINC000499734683 1120496481 /nfs/dbraw/zinc/49/64/81/1120496481.db2.gz NSBZVURQEAWBCH-INIZCTEOSA-N 2 1 279.472 3.840 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](C)CC(C)C ZINC000499734683 1120496485 /nfs/dbraw/zinc/49/64/85/1120496485.db2.gz NSBZVURQEAWBCH-INIZCTEOSA-N 2 1 279.472 3.840 20 0 CHADMP CC[C@@]1(C)CCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000651720133 1120724675 /nfs/dbraw/zinc/72/46/75/1120724675.db2.gz RBORZMUSFUCZGI-HOTGVXAUSA-N 2 1 263.429 3.530 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCSC2CCCCC2)[C@@H](C)C1 ZINC000501035657 1121946552 /nfs/dbraw/zinc/94/65/52/1121946552.db2.gz IPXRGOXLDFGRSG-RDJZCZTQSA-N 2 1 298.540 3.714 20 0 CHADMP CC(C)C[C@H]1CCCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000502855860 1122152345 /nfs/dbraw/zinc/15/23/45/1122152345.db2.gz LMTWWPHZYIJMHI-IAGOWNOFSA-N 2 1 266.473 3.761 20 0 CHADMP CC(C)C[C@H]1CCCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000502855860 1122152349 /nfs/dbraw/zinc/15/23/49/1122152349.db2.gz LMTWWPHZYIJMHI-IAGOWNOFSA-N 2 1 266.473 3.761 20 0 CHADMP CC(C)C[C@H]1CCCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000502855860 1122152352 /nfs/dbraw/zinc/15/23/52/1122152352.db2.gz LMTWWPHZYIJMHI-IAGOWNOFSA-N 2 1 266.473 3.761 20 0 CHADMP CCCC(CCC)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001182959830 1122197580 /nfs/dbraw/zinc/19/75/80/1122197580.db2.gz MOFAAFPZPIESKG-INIZCTEOSA-N 2 1 266.473 3.952 20 0 CHADMP CCCC(CCC)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001182959830 1122197584 /nfs/dbraw/zinc/19/75/84/1122197584.db2.gz MOFAAFPZPIESKG-INIZCTEOSA-N 2 1 266.473 3.952 20 0 CHADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC001191259416 1122586176 /nfs/dbraw/zinc/58/61/76/1122586176.db2.gz VMSPCWSVYZXBKZ-ZACQAIPSSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H]1CCCC[C@@H]1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC001191259416 1122586179 /nfs/dbraw/zinc/58/61/79/1122586179.db2.gz VMSPCWSVYZXBKZ-ZACQAIPSSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H]1CCCC[C@@H]1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC001191259416 1122586183 /nfs/dbraw/zinc/58/61/83/1122586183.db2.gz VMSPCWSVYZXBKZ-ZACQAIPSSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H](C[NH+]1CCC2(CCC[N@H+]2C)CC1)CC(C)(C)C ZINC001192536251 1122651719 /nfs/dbraw/zinc/65/17/19/1122651719.db2.gz LPNXUVUQLRTBJA-OAHLLOKOSA-N 2 1 266.473 3.619 20 0 CHADMP [NH3+]C1(C[NH2+][C@H]2CCSc3ccc(Cl)cc32)CCCC1 ZINC000665248989 1123259059 /nfs/dbraw/zinc/25/90/59/1123259059.db2.gz HNQSWEKSJNLGKF-ZDUSSCGKSA-N 2 1 296.867 3.738 20 0 CHADMP Cc1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cs1 ZINC000449082638 1124642957 /nfs/dbraw/zinc/64/29/57/1124642957.db2.gz OQQPWDAFHDHCBI-CQSZACIVSA-N 2 1 280.481 3.801 20 0 CHADMP C/C(Cl)=C\CN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000528381663 1124654673 /nfs/dbraw/zinc/65/46/73/1124654673.db2.gz NPYKAPUUUDBTIR-XFCDKJKVSA-N 2 1 284.875 3.715 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)C1CCC1 ZINC000449212461 1124670269 /nfs/dbraw/zinc/67/02/69/1124670269.db2.gz SQJPIBFIPBLMTE-NVXWUHKLSA-N 2 1 266.473 3.523 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(Cl)c2)C[C@@H]1C ZINC000530662719 1125170803 /nfs/dbraw/zinc/17/08/03/1125170803.db2.gz JCGCAJGUAQNBJO-BBRMVZONSA-N 2 1 280.843 3.645 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(Cl)c2)C[C@@H]1C ZINC000530662719 1125170807 /nfs/dbraw/zinc/17/08/07/1125170807.db2.gz JCGCAJGUAQNBJO-BBRMVZONSA-N 2 1 280.843 3.645 20 0 CHADMP CC[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000125146491 1125444856 /nfs/dbraw/zinc/44/48/56/1125444856.db2.gz BOCYNNKMFBUKSJ-CABCVRRESA-N 2 1 260.425 3.600 20 0 CHADMP CCCC[C@H](CC(C)C)[NH2+]CC[C@H]1CC[NH2+]CC1(F)F ZINC001246479835 1131522236 /nfs/dbraw/zinc/52/22/36/1131522236.db2.gz AHYVNZVBBNNHEG-HUUCEWRRSA-N 2 1 290.442 3.816 20 0 CHADMP CCCCC[C@@H](CCC)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246548313 1131598166 /nfs/dbraw/zinc/59/81/66/1131598166.db2.gz FWBHIBYPKCXPAS-CVEARBPZSA-N 2 1 254.462 3.939 20 0 CHADMP CSC(C)(C)C[C@H](C)[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001246605968 1131715798 /nfs/dbraw/zinc/71/57/98/1131715798.db2.gz LOQYDEIZALUVJC-HOCLYGCPSA-N 2 1 284.513 3.515 20 0 CHADMP CCC[C@@H](C)CC[C@H](C)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246936735 1131825106 /nfs/dbraw/zinc/82/51/06/1131825106.db2.gz WYIDIASHUYJHRX-TWMKSMIVSA-N 2 1 266.473 3.523 20 0 CHADMP CCCCC[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104670 1132130579 /nfs/dbraw/zinc/13/05/79/1132130579.db2.gz DXNBLHQMGQXSRT-YHUYYLMFSA-N 2 1 252.446 3.560 20 0 CHADMP CCCCC[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104670 1132130584 /nfs/dbraw/zinc/13/05/84/1132130584.db2.gz DXNBLHQMGQXSRT-YHUYYLMFSA-N 2 1 252.446 3.560 20 0 CHADMP C[N@@H+](CCCCCCC[NH3+])[C@H]1CCc2ccccc21 ZINC000842471464 1132433784 /nfs/dbraw/zinc/43/37/84/1132433784.db2.gz CQBNQXRQKHRERM-KRWDZBQOSA-N 2 1 260.425 3.515 20 0 CHADMP CS[C@@H](C)CC[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001208151736 1133885844 /nfs/dbraw/zinc/88/58/44/1133885844.db2.gz XXYDJLWVJDWVOO-HNNXBMFYSA-N 2 1 298.540 3.857 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000121504649 1125561071 /nfs/dbraw/zinc/56/10/71/1125561071.db2.gz YDXJPUIJNAZLSY-OLZOCXBDSA-N 2 1 291.826 3.832 20 0 CHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccsc2)C1 ZINC000245553250 1125580256 /nfs/dbraw/zinc/58/02/56/1125580256.db2.gz FJRDADFIDBPVKY-CVEARBPZSA-N 2 1 292.492 3.835 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)CCC2 ZINC000245627345 1125585514 /nfs/dbraw/zinc/58/55/14/1125585514.db2.gz YTXUAEIGBBBYMV-WTLGNFPFSA-N 2 1 286.463 3.691 20 0 CHADMP Cc1nccn1CCCC[N@@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000245713798 1125591104 /nfs/dbraw/zinc/59/11/04/1125591104.db2.gz TUPMQOUHOHHIEG-APWZRJJASA-N 2 1 297.446 3.850 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000245713798 1125591109 /nfs/dbraw/zinc/59/11/09/1125591109.db2.gz TUPMQOUHOHHIEG-APWZRJJASA-N 2 1 297.446 3.850 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000245713798 1125591113 /nfs/dbraw/zinc/59/11/13/1125591113.db2.gz TUPMQOUHOHHIEG-APWZRJJASA-N 2 1 297.446 3.850 20 0 CHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](CC)c2ccccc2F)C1 ZINC000245988546 1125600633 /nfs/dbraw/zinc/60/06/33/1125600633.db2.gz QJOSFVUZDJTGEM-RHSMWYFYSA-N 2 1 278.415 3.598 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)c2ccccc2F)C1 ZINC000245988546 1125600637 /nfs/dbraw/zinc/60/06/37/1125600637.db2.gz QJOSFVUZDJTGEM-RHSMWYFYSA-N 2 1 278.415 3.598 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000246192593 1125608658 /nfs/dbraw/zinc/60/86/58/1125608658.db2.gz LIWIMHBMJLTZFX-YOEHRIQHSA-N 2 1 290.476 3.505 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000246192593 1125608666 /nfs/dbraw/zinc/60/86/66/1125608666.db2.gz LIWIMHBMJLTZFX-YOEHRIQHSA-N 2 1 290.476 3.505 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000246192593 1125608670 /nfs/dbraw/zinc/60/86/70/1125608670.db2.gz LIWIMHBMJLTZFX-YOEHRIQHSA-N 2 1 290.476 3.505 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccccc2C(C)(C)C)C1 ZINC000533638722 1125620090 /nfs/dbraw/zinc/62/00/90/1125620090.db2.gz MOPDLRMCLFBBSW-HZPDHXFCSA-N 2 1 288.479 3.977 20 0 CHADMP Cc1coc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)c1 ZINC000885949279 1125630418 /nfs/dbraw/zinc/63/04/18/1125630418.db2.gz SGGZXLKJTWVZPO-UHFFFAOYSA-N 2 1 286.419 3.718 20 0 CHADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247040634 1125653500 /nfs/dbraw/zinc/65/35/00/1125653500.db2.gz KTWGWPUGRDYAHS-FUHWJXTLSA-N 2 1 272.436 3.698 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000248426577 1125669409 /nfs/dbraw/zinc/66/94/09/1125669409.db2.gz NENQUTSNSDJOAN-XWDNEUNKSA-N 2 1 276.468 3.584 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)C1 ZINC000248634471 1125672877 /nfs/dbraw/zinc/67/28/77/1125672877.db2.gz JLWZNUVIVOXXOD-NXHRZFHOSA-N 2 1 286.463 3.500 20 0 CHADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000248994702 1125677948 /nfs/dbraw/zinc/67/79/48/1125677948.db2.gz ONOATHOTTLMEGW-UDTPNQRGSA-N 2 1 284.447 3.570 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C1CCSCC1 ZINC000250139399 1125685565 /nfs/dbraw/zinc/68/55/65/1125685565.db2.gz YTIVGKUQWHYSBU-JKSUJKDBSA-N 2 1 298.540 3.620 20 0 CHADMP Cc1[nH]c(C2CC[NH+]([C@H](C)c3ccccc3)CC2)[nH+]c1C ZINC000886665949 1125705520 /nfs/dbraw/zinc/70/55/20/1125705520.db2.gz JYMXBPZJQMOCKT-OAHLLOKOSA-N 2 1 283.419 3.967 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2cc3c(s2)CCC3)CC1 ZINC000161623764 1125707847 /nfs/dbraw/zinc/70/78/47/1125707847.db2.gz PVZXFSNJIHFYJG-ZDUSSCGKSA-N 2 1 292.492 3.762 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(C)c1 ZINC000285647512 1125714738 /nfs/dbraw/zinc/71/47/38/1125714738.db2.gz MDUAOPTVHIDJMO-MAUKXSAKSA-N 2 1 272.436 3.520 20 0 CHADMP Cc1ccccc1[C@@H](C(C)C)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261994342 1125748817 /nfs/dbraw/zinc/74/88/17/1125748817.db2.gz KPJNOLFIMGJWAZ-QZTJIDSGSA-N 2 1 274.452 3.624 20 0 CHADMP Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)CC2CC[NH2+]CC2)cc1 ZINC000262114326 1125752220 /nfs/dbraw/zinc/75/22/20/1125752220.db2.gz BIQXUESNZIBREX-RBUKOAKNSA-N 2 1 286.463 3.563 20 0 CHADMP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262017769 1125751374 /nfs/dbraw/zinc/75/13/74/1125751374.db2.gz MXPROPSWLCVIKE-GUDVDZBRSA-N 2 1 286.463 3.644 20 0 CHADMP CCCC[C@@H](CC)CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430125691 1125760375 /nfs/dbraw/zinc/76/03/75/1125760375.db2.gz CNDJOXDXKOXFQU-SJORKVTESA-N 2 1 266.473 3.621 20 0 CHADMP CCCC[C@@H](CC)CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000430125691 1125760379 /nfs/dbraw/zinc/76/03/79/1125760379.db2.gz CNDJOXDXKOXFQU-SJORKVTESA-N 2 1 266.473 3.621 20 0 CHADMP CCCC[C@@H](CC)CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000430125691 1125760384 /nfs/dbraw/zinc/76/03/84/1125760384.db2.gz CNDJOXDXKOXFQU-SJORKVTESA-N 2 1 266.473 3.621 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)C[C@@]2(C)C[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000638117244 1129244892 /nfs/dbraw/zinc/24/48/92/1129244892.db2.gz PVKMAZQGPZLNCH-GDAAHCPNSA-N 2 1 286.463 3.595 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)C[C@@]2(C)C[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000638117244 1129244896 /nfs/dbraw/zinc/24/48/96/1129244896.db2.gz PVKMAZQGPZLNCH-GDAAHCPNSA-N 2 1 286.463 3.595 20 0 CHADMP C[C@H]1C[C@@H]([N@H+](C)C[C@@]2(C)C[C@@H]2c2ccccc2)CC[NH+]1C ZINC000638117244 1129244899 /nfs/dbraw/zinc/24/48/99/1129244899.db2.gz PVKMAZQGPZLNCH-GDAAHCPNSA-N 2 1 286.463 3.595 20 0 CHADMP C[C@H]1C[C@@H]([N@@H+](C)C[C@@]2(C)C[C@@H]2c2ccccc2)CC[NH+]1C ZINC000638117244 1129244902 /nfs/dbraw/zinc/24/49/02/1129244902.db2.gz PVKMAZQGPZLNCH-GDAAHCPNSA-N 2 1 286.463 3.595 20 0 CHADMP C[C@@H]([NH2+]CC1(C2CC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508691195 1125773585 /nfs/dbraw/zinc/77/35/85/1125773585.db2.gz MBBUVEUQXSICLS-SJLPKXTDSA-N 2 1 298.474 3.677 20 0 CHADMP CCSc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000533785288 1125781101 /nfs/dbraw/zinc/78/11/01/1125781101.db2.gz RBHPTSYPZMIXRX-GJZGRUSLSA-N 2 1 292.492 3.791 20 0 CHADMP CCCc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)s1 ZINC000621724434 1129186355 /nfs/dbraw/zinc/18/63/55/1129186355.db2.gz IUDHROZSUCQASE-CQSZACIVSA-N 2 1 280.481 3.617 20 0 CHADMP CCCc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)s1 ZINC000621724434 1129186371 /nfs/dbraw/zinc/18/63/71/1129186371.db2.gz IUDHROZSUCQASE-CQSZACIVSA-N 2 1 280.481 3.617 20 0 CHADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(C)(C)SC)C1 ZINC001258327903 1129204775 /nfs/dbraw/zinc/20/47/75/1129204775.db2.gz PQLSKDWCKCHTIK-KBPBESRZSA-N 2 1 286.529 3.759 20 0 CHADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(C)(C)SC)C1 ZINC001258327903 1129204778 /nfs/dbraw/zinc/20/47/78/1129204778.db2.gz PQLSKDWCKCHTIK-KBPBESRZSA-N 2 1 286.529 3.759 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)c1 ZINC000337990116 1126706428 /nfs/dbraw/zinc/70/64/28/1126706428.db2.gz CBCWLHOYZQPEMC-RBUKOAKNSA-N 2 1 286.463 3.807 20 0 CHADMP Cc1cccc(N2CCC([NH2+][C@@H]3CC[C@H]3C3CCC3)CC2)[nH+]1 ZINC000337997773 1126708387 /nfs/dbraw/zinc/70/83/87/1126708387.db2.gz MUMPJVBVNWSABB-ZWKOTPCHSA-N 2 1 299.462 3.527 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000338012306 1126709782 /nfs/dbraw/zinc/70/97/82/1126709782.db2.gz PPMYPPBPJPWPKI-AWEZNQCLSA-N 2 1 289.398 3.688 20 0 CHADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1cccc(Cl)c1 ZINC000338017849 1126711940 /nfs/dbraw/zinc/71/19/40/1126711940.db2.gz WMFNDFHWMDIVEI-MRXNPFEDSA-N 2 1 291.826 3.976 20 0 CHADMP CC[NH+](CC)CCC[NH+]1CCC(c2ccsc2)CC1 ZINC000338278280 1126730113 /nfs/dbraw/zinc/73/01/13/1126730113.db2.gz GWNKSFNMFSQMPE-UHFFFAOYSA-N 2 1 280.481 3.659 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)C(C)(C)C)c1 ZINC000482355629 1126752105 /nfs/dbraw/zinc/75/21/05/1126752105.db2.gz GAEANSDSYJCPAU-CQSZACIVSA-N 2 1 262.441 3.663 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000482358661 1126752725 /nfs/dbraw/zinc/75/27/25/1126752725.db2.gz OTNVLTJEAUEFAU-KBXCAEBGSA-N 2 1 290.426 3.523 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)s1 ZINC000483127237 1126768997 /nfs/dbraw/zinc/76/89/97/1126768997.db2.gz MLVNSZDCZQDAIG-WOPDTQHZSA-N 2 1 286.872 3.925 20 0 CHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)s1 ZINC000483127237 1126768999 /nfs/dbraw/zinc/76/89/99/1126768999.db2.gz MLVNSZDCZQDAIG-WOPDTQHZSA-N 2 1 286.872 3.925 20 0 CHADMP C(CC1CCCC1)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000483200424 1126772706 /nfs/dbraw/zinc/77/27/06/1126772706.db2.gz QKPRANWRVIBUDE-SFHVURJKSA-N 2 1 278.484 3.907 20 0 CHADMP CC(C)(C)C[C@H]1CC[N@@H+](Cc2ccnn2-c2ccncc2)C1 ZINC000668228866 1126776482 /nfs/dbraw/zinc/77/64/82/1126776482.db2.gz SNJPRYBUKZVCPH-OAHLLOKOSA-N 2 1 298.434 3.525 20 0 CHADMP CC(C)(C)C[C@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668228866 1126776486 /nfs/dbraw/zinc/77/64/86/1126776486.db2.gz SNJPRYBUKZVCPH-OAHLLOKOSA-N 2 1 298.434 3.525 20 0 CHADMP CC(C)(C)C[C@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668228866 1126776487 /nfs/dbraw/zinc/77/64/87/1126776487.db2.gz SNJPRYBUKZVCPH-OAHLLOKOSA-N 2 1 298.434 3.525 20 0 CHADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1c1ccccc1OC ZINC000191782041 1126777681 /nfs/dbraw/zinc/77/76/81/1126777681.db2.gz LTHYSZPBFGNOKR-QGZVFWFLSA-N 2 1 290.451 3.564 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1c1ccccc1OC ZINC000191782041 1126777685 /nfs/dbraw/zinc/77/76/85/1126777685.db2.gz LTHYSZPBFGNOKR-QGZVFWFLSA-N 2 1 290.451 3.564 20 0 CHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cc[nH]c2)cc1 ZINC000175697857 1126784555 /nfs/dbraw/zinc/78/45/55/1126784555.db2.gz AZPNWTRZGNJYQP-INIZCTEOSA-N 2 1 297.446 3.679 20 0 CHADMP Cc1ccc(C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C(C)C)cc1 ZINC000483731812 1126799194 /nfs/dbraw/zinc/79/91/94/1126799194.db2.gz REVJYZUEYFXJSP-UHOSZYNNSA-N 2 1 288.479 3.634 20 0 CHADMP Cc1ccc(C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)C)cc1 ZINC000483731812 1126799197 /nfs/dbraw/zinc/79/91/97/1126799197.db2.gz REVJYZUEYFXJSP-UHOSZYNNSA-N 2 1 288.479 3.634 20 0 CHADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc2ccccc2n1 ZINC000178244351 1126810577 /nfs/dbraw/zinc/81/05/77/1126810577.db2.gz SWTZKCQGJUIDQD-JKSUJKDBSA-N 2 1 297.446 3.617 20 0 CHADMP CCOc1ccccc1[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000484475860 1126820031 /nfs/dbraw/zinc/82/00/31/1126820031.db2.gz OROUPYUCIJKJER-HRCADAONSA-N 2 1 290.451 3.609 20 0 CHADMP C[C@H](NCCC[N@H+]1CCCC[C@@H]1C)c1ccc(Cl)nc1 ZINC000179096953 1126822754 /nfs/dbraw/zinc/82/27/54/1126822754.db2.gz SOHQVJQQLSYGLZ-KBPBESRZSA-N 2 1 295.858 3.650 20 0 CHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(Cl)nc1 ZINC000179096953 1126822757 /nfs/dbraw/zinc/82/27/57/1126822757.db2.gz SOHQVJQQLSYGLZ-KBPBESRZSA-N 2 1 295.858 3.650 20 0 CHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(Cl)nc1 ZINC000179096953 1126822762 /nfs/dbraw/zinc/82/27/62/1126822762.db2.gz SOHQVJQQLSYGLZ-KBPBESRZSA-N 2 1 295.858 3.650 20 0 CHADMP CC(C)CC[C@@H](C)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001256360031 1130614307 /nfs/dbraw/zinc/61/43/07/1130614307.db2.gz CDAMXPJKSFOSGC-HZPDHXFCSA-N 2 1 254.462 3.652 20 0 CHADMP C[C@@H](c1ccccc1)[N@@H+](CC1CCC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904322573 1126845861 /nfs/dbraw/zinc/84/58/61/1126845861.db2.gz DFZYKPUKNYOIJS-QILLFSRXSA-N 2 1 272.436 3.587 20 0 CHADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252418000 1126853443 /nfs/dbraw/zinc/85/34/43/1126853443.db2.gz UHVJWNUOGIZLET-RCCFBDPRSA-N 2 1 272.436 3.602 20 0 CHADMP C[C@@H]([NH2+]C[C@H]([NH3+])CC(F)F)c1csc2ccccc21 ZINC000904483675 1126854083 /nfs/dbraw/zinc/85/40/83/1126854083.db2.gz LKJYPBMGVGFSPN-NXEZZACHSA-N 2 1 284.375 3.534 20 0 CHADMP CC[C@H](CSc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000181666961 1126859829 /nfs/dbraw/zinc/85/98/29/1126859829.db2.gz PLRHBWRKSNKRKK-BZUAXINKSA-N 2 1 292.492 3.630 20 0 CHADMP CC[C@H](CSc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181666961 1126859834 /nfs/dbraw/zinc/85/98/34/1126859834.db2.gz PLRHBWRKSNKRKK-BZUAXINKSA-N 2 1 292.492 3.630 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183188322 1126883152 /nfs/dbraw/zinc/88/31/52/1126883152.db2.gz ICVXLZSOBBQCCT-LZLYRXPVSA-N 2 1 286.463 3.990 20 0 CHADMP FC(F)c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252704183 1126900346 /nfs/dbraw/zinc/90/03/46/1126900346.db2.gz MKGVAFAPXVXUQJ-HZPDHXFCSA-N 2 1 294.389 3.588 20 0 CHADMP CCC[N@H+](C/C=C\c1ccc(F)c(F)c1)CCC[NH+](C)C ZINC000568917709 1126906543 /nfs/dbraw/zinc/90/65/43/1126906543.db2.gz CPFKWKOZRKAJRK-ALCCZGGFSA-N 2 1 296.405 3.642 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(F)ccc1Cl ZINC000189257802 1126929684 /nfs/dbraw/zinc/92/96/84/1126929684.db2.gz VBVPTPVBOCTZLN-UHFFFAOYSA-N 2 1 295.789 3.506 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(F)ccc1Cl ZINC000189257802 1126929687 /nfs/dbraw/zinc/92/96/87/1126929687.db2.gz VBVPTPVBOCTZLN-UHFFFAOYSA-N 2 1 295.789 3.506 20 0 CHADMP CCCCNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000906526718 1126957173 /nfs/dbraw/zinc/95/71/73/1126957173.db2.gz KPKXGRJEYSWUPG-UHFFFAOYSA-N 2 1 289.467 3.677 20 0 CHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)cs2)C1 ZINC000193087034 1126966796 /nfs/dbraw/zinc/96/67/96/1126966796.db2.gz VQBSVLKNDBIHCX-LBPRGKRZSA-N 2 1 286.872 3.612 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)cs2)C1 ZINC000193087034 1126966800 /nfs/dbraw/zinc/96/68/00/1126966800.db2.gz VQBSVLKNDBIHCX-LBPRGKRZSA-N 2 1 286.872 3.612 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CCN([C@H](C)c2ccc(Cl)cc2)C1 ZINC000266600733 1126984884 /nfs/dbraw/zinc/98/48/84/1126984884.db2.gz DAPPSVROUDFXPP-KGLIPLIRSA-N 2 1 280.843 3.675 20 0 CHADMP C[N@@H+](CCCC[NH3+])Cc1cc(Cl)c(Cl)c(Cl)c1 ZINC001236141918 1130874559 /nfs/dbraw/zinc/87/45/59/1130874559.db2.gz OOTZJQVEEMVXDY-UHFFFAOYSA-N 2 1 295.641 3.818 20 0 CHADMP CSc1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000266930528 1126990559 /nfs/dbraw/zinc/99/05/59/1126990559.db2.gz OQCVDQOSTGXZOK-CQSZACIVSA-N 2 1 287.432 3.511 20 0 CHADMP CC[NH+](c1ccc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1)C(C)C ZINC000245612113 1129214006 /nfs/dbraw/zinc/21/40/06/1129214006.db2.gz KSEPUJAKGHNZSS-DOTOQJQBSA-N 2 1 289.467 3.816 20 0 CHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000267374183 1126998689 /nfs/dbraw/zinc/99/86/89/1126998689.db2.gz KZQGKORWRYSVNV-MRXNPFEDSA-N 2 1 289.467 3.587 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)[C@H]1CC1(C)C ZINC000486950112 1127010927 /nfs/dbraw/zinc/01/09/27/1127010927.db2.gz KNWFOFCPJQPKQW-OWCLPIDISA-N 2 1 266.473 3.523 20 0 CHADMP Cc1cc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)c(C)s1 ZINC000268779744 1127023923 /nfs/dbraw/zinc/02/39/23/1127023923.db2.gz CQYMSOOJILQAHX-LBPRGKRZSA-N 2 1 277.437 3.611 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000165294363 1129214132 /nfs/dbraw/zinc/21/41/32/1129214132.db2.gz WCJUMTPWANMLHI-LNLFQRSKSA-N 2 1 288.479 3.575 20 0 CHADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(Cl)s1 ZINC000268837199 1127026040 /nfs/dbraw/zinc/02/60/40/1127026040.db2.gz UVRUMPFQGSGDNJ-NSHDSACASA-N 2 1 283.828 3.647 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccco1)C1CCCC1 ZINC000269132987 1127035248 /nfs/dbraw/zinc/03/52/48/1127035248.db2.gz NPTWVAOVUUVBHY-UHFFFAOYSA-N 2 1 287.407 3.619 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccco1)C1CCCC1 ZINC000269132987 1127035251 /nfs/dbraw/zinc/03/52/51/1127035251.db2.gz NPTWVAOVUUVBHY-UHFFFAOYSA-N 2 1 287.407 3.619 20 0 CHADMP Cc1nccn1CC[N@H+](C)[C@H](C)c1ccccc1Cl ZINC000270681875 1127060684 /nfs/dbraw/zinc/06/06/84/1127060684.db2.gz VCWXGTACTHTNKR-GFCCVEGCSA-N 2 1 277.799 3.538 20 0 CHADMP Cc1cc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C2CC2)ccc1F ZINC000271540228 1127090053 /nfs/dbraw/zinc/09/00/53/1127090053.db2.gz QSXOZFJPAXQQGG-FDQGKXFDSA-N 2 1 290.426 3.658 20 0 CHADMP Cc1cc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C2CC2)ccc1F ZINC000271540228 1127090055 /nfs/dbraw/zinc/09/00/55/1127090055.db2.gz QSXOZFJPAXQQGG-FDQGKXFDSA-N 2 1 290.426 3.658 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCCC(C)C ZINC000349158197 1127141933 /nfs/dbraw/zinc/14/19/33/1127141933.db2.gz ZSDORQWWTIGEDB-UHFFFAOYSA-N 2 1 265.445 3.594 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCCC(C)C ZINC000349158197 1127141934 /nfs/dbraw/zinc/14/19/34/1127141934.db2.gz ZSDORQWWTIGEDB-UHFFFAOYSA-N 2 1 265.445 3.594 20 0 CHADMP c1csc([C@@H]2CCC[N@@H+]2C2CC[NH+](CC3CC3)CC2)c1 ZINC001168379414 1127162741 /nfs/dbraw/zinc/16/27/41/1127162741.db2.gz JVCSAFLDPIDAQJ-INIZCTEOSA-N 2 1 290.476 3.759 20 0 CHADMP c1ccc([C@H]2CCC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168379760 1127164850 /nfs/dbraw/zinc/16/48/50/1127164850.db2.gz PBCRXIQSUYGBJW-IBGZPJMESA-N 2 1 298.474 3.740 20 0 CHADMP CC1(C)CC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000571826163 1127177415 /nfs/dbraw/zinc/17/74/15/1127177415.db2.gz JRCPMZKRCPDRNB-HZPDHXFCSA-N 2 1 264.457 3.562 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](C)CCc1ccsc1 ZINC000571930856 1127183852 /nfs/dbraw/zinc/18/38/52/1127183852.db2.gz LMOJSKURQPODFS-LSDHHAIUSA-N 2 1 282.497 3.779 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](C)CCc1ccsc1 ZINC000571930856 1127183855 /nfs/dbraw/zinc/18/38/55/1127183855.db2.gz LMOJSKURQPODFS-LSDHHAIUSA-N 2 1 282.497 3.779 20 0 CHADMP C[N@@H+](Cc1cccc(C(F)F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285346063 1127223196 /nfs/dbraw/zinc/22/31/96/1127223196.db2.gz AOBUNROCRSPEPA-XYPWUTKMSA-N 2 1 294.389 3.681 20 0 CHADMP C[NH+](Cc1cccc(C(F)F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285346063 1127223200 /nfs/dbraw/zinc/22/32/00/1127223200.db2.gz AOBUNROCRSPEPA-XYPWUTKMSA-N 2 1 294.389 3.681 20 0 CHADMP C[NH+](Cc1cccc(C(F)F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285346063 1127223203 /nfs/dbraw/zinc/22/32/03/1127223203.db2.gz AOBUNROCRSPEPA-XYPWUTKMSA-N 2 1 294.389 3.681 20 0 CHADMP CCC[C@H]1CCCC[N@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168391676 1127226356 /nfs/dbraw/zinc/22/63/56/1127226356.db2.gz MMGSSVPMWUJISF-INIZCTEOSA-N 2 1 264.457 3.515 20 0 CHADMP Cc1ccnc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000285464728 1127229878 /nfs/dbraw/zinc/22/98/78/1127229878.db2.gz AJVHAGSIKVJGHB-DLBZAZTESA-N 2 1 289.467 3.553 20 0 CHADMP c1cc2cc(C[NH2+]C3CC[NH+](C4CCC4)CC3)ccc2o1 ZINC000285570449 1127238451 /nfs/dbraw/zinc/23/84/51/1127238451.db2.gz WFXFGPVERJOPPN-UHFFFAOYSA-N 2 1 284.403 3.539 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CCC(C)C)c1ccoc1 ZINC000285945929 1127247712 /nfs/dbraw/zinc/24/77/12/1127247712.db2.gz FZFBOASUHWGWEV-QGZVFWFLSA-N 2 1 289.423 3.942 20 0 CHADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000510740654 1127271223 /nfs/dbraw/zinc/27/12/23/1127271223.db2.gz VRHSBZADGVKLSU-KGLIPLIRSA-N 2 1 298.421 3.606 20 0 CHADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000510740656 1127271585 /nfs/dbraw/zinc/27/15/85/1127271585.db2.gz VRHSBZADGVKLSU-ZIAGYGMSSA-N 2 1 298.421 3.606 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000353946387 1127281114 /nfs/dbraw/zinc/28/11/14/1127281114.db2.gz VNDPVSQCZSKOPH-QFBILLFUSA-N 2 1 299.462 3.857 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000356309839 1127382254 /nfs/dbraw/zinc/38/22/54/1127382254.db2.gz ULQGAZZOXWUIAO-PBHICJAKSA-N 2 1 275.440 3.506 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000356309839 1127382258 /nfs/dbraw/zinc/38/22/58/1127382258.db2.gz ULQGAZZOXWUIAO-PBHICJAKSA-N 2 1 275.440 3.506 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)o1 ZINC000480910413 1127383660 /nfs/dbraw/zinc/38/36/60/1127383660.db2.gz KECRTJQIUPKNNE-LSDHHAIUSA-N 2 1 278.440 3.615 20 0 CHADMP CC[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(OC)cc1 ZINC000356871058 1127384633 /nfs/dbraw/zinc/38/46/33/1127384633.db2.gz IYTQQEBDDBOYKL-AEFFLSMTSA-N 2 1 290.451 3.610 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)C2CCC2)c1 ZINC000358045789 1127398853 /nfs/dbraw/zinc/39/88/53/1127398853.db2.gz JRRGVVUJWZRDRQ-HNNXBMFYSA-N 2 1 274.452 3.805 20 0 CHADMP Cc1ccc([C@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000359230878 1127454829 /nfs/dbraw/zinc/45/48/29/1127454829.db2.gz ZAZSTYLUHHMKEM-GOSISDBHSA-N 2 1 272.436 3.522 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)s1 ZINC000227539566 1127481586 /nfs/dbraw/zinc/48/15/86/1127481586.db2.gz OAEWESSSOOHQJH-NILFDRSVSA-N 2 1 272.417 3.852 20 0 CHADMP CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(F)cc1F ZINC000360433838 1127499028 /nfs/dbraw/zinc/49/90/28/1127499028.db2.gz OUQZVPHTUSVWBG-SUMWQHHRSA-N 2 1 296.405 3.737 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C(C)(F)F)cc2)[C@H](C)C1 ZINC000293777075 1127519619 /nfs/dbraw/zinc/51/96/19/1127519619.db2.gz SPGPOUQAQWBKAV-CZUORRHYSA-N 2 1 296.405 3.618 20 0 CHADMP Cc1nc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000361080215 1127536434 /nfs/dbraw/zinc/53/64/34/1127536434.db2.gz NDHOLQDOGRNYGC-ZIAGYGMSSA-N 2 1 295.496 3.614 20 0 CHADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)CCC(F)(F)F ZINC000361714625 1127583489 /nfs/dbraw/zinc/58/34/89/1127583489.db2.gz RUJVQMQWBDKHOI-UHFFFAOYSA-N 2 1 297.324 3.565 20 0 CHADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC(C)(C)Cc3occc32)C1 ZINC000361970706 1127603820 /nfs/dbraw/zinc/60/38/20/1127603820.db2.gz IZDPVOABNFKAGP-LZWOXQAQSA-N 2 1 290.451 3.756 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc2ccccc2n1 ZINC000295946673 1127657803 /nfs/dbraw/zinc/65/78/03/1127657803.db2.gz LVZXHHUHSMDZEH-LNRIEFBSSA-N 2 1 295.430 3.511 20 0 CHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc2ccccc2n1 ZINC000295946673 1127657805 /nfs/dbraw/zinc/65/78/05/1127657805.db2.gz LVZXHHUHSMDZEH-LNRIEFBSSA-N 2 1 295.430 3.511 20 0 CHADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCc1cncn1C ZINC000297748381 1127706360 /nfs/dbraw/zinc/70/63/60/1127706360.db2.gz KYRMWDQESNHPNR-MOPGFXCFSA-N 2 1 297.446 3.621 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cs1 ZINC000297948439 1127712256 /nfs/dbraw/zinc/71/22/56/1127712256.db2.gz YOAGEQZVDRGQFQ-ZDUSSCGKSA-N 2 1 278.465 3.724 20 0 CHADMP C[C@@H]1CCC[NH+](C/C=C\C[N@@H+]2CCC[C@H](C)[C@@H]2C)[C@@H]1C ZINC000607740356 1127823265 /nfs/dbraw/zinc/82/32/65/1127823265.db2.gz NGCWKCNMOFGQLQ-HMBYZQHASA-N 2 1 278.484 3.783 20 0 CHADMP C[C@@H]1CCC[N@@H+](C/C=C\C[NH+]2CCC[C@H](C)[C@@H]2C)[C@@H]1C ZINC000607740356 1127823266 /nfs/dbraw/zinc/82/32/66/1127823266.db2.gz NGCWKCNMOFGQLQ-HMBYZQHASA-N 2 1 278.484 3.783 20 0 CHADMP C[C@@H]1CCC[N@H+](C/C=C\C[NH+]2CCC[C@H](C)[C@@H]2C)[C@@H]1C ZINC000607740356 1127823268 /nfs/dbraw/zinc/82/32/68/1127823268.db2.gz NGCWKCNMOFGQLQ-HMBYZQHASA-N 2 1 278.484 3.783 20 0 CHADMP Cc1cccc([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000373519746 1127847965 /nfs/dbraw/zinc/84/79/65/1127847965.db2.gz GLKBYMZOIQYRSV-ZLPCBKJTSA-N 2 1 272.436 3.663 20 0 CHADMP CC(C)(C[NH2+]C[C@H]1C[C@H]1c1ccccc1)[NH+]1CCCCC1 ZINC000539406192 1127921729 /nfs/dbraw/zinc/92/17/29/1127921729.db2.gz ZUYCAENRFXVKEL-MSOLQXFVSA-N 2 1 286.463 3.644 20 0 CHADMP CCC[C@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000539409045 1127922376 /nfs/dbraw/zinc/92/23/76/1127922376.db2.gz WLLGNAZUCQFCFV-PKOBYXMFSA-N 2 1 288.479 3.844 20 0 CHADMP CCC[C@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000539409045 1127922377 /nfs/dbraw/zinc/92/23/77/1127922377.db2.gz WLLGNAZUCQFCFV-PKOBYXMFSA-N 2 1 288.479 3.844 20 0 CHADMP CCC[C@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000539409045 1127922380 /nfs/dbraw/zinc/92/23/80/1127922380.db2.gz WLLGNAZUCQFCFV-PKOBYXMFSA-N 2 1 288.479 3.844 20 0 CHADMP C[C@H]([NH2+][C@@H](c1ccccc1)C(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000400429688 1127928849 /nfs/dbraw/zinc/92/88/49/1127928849.db2.gz ZSKXXPUGSFPLRQ-BPUTZDHNSA-N 2 1 260.425 3.504 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C)CCCCCC2)[C@@H](C)C1 ZINC000539560329 1127930377 /nfs/dbraw/zinc/93/03/77/1127930377.db2.gz OGMGGDUGEVIXFX-HOTGVXAUSA-N 2 1 266.473 3.667 20 0 CHADMP CCCc1[nH+]ccn1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000413003048 1127938099 /nfs/dbraw/zinc/93/80/99/1127938099.db2.gz SSTJUMVZHSLNPR-UHFFFAOYSA-N 2 1 297.446 3.870 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(C)C)cc2)C1 ZINC000539820448 1127943239 /nfs/dbraw/zinc/94/32/39/1127943239.db2.gz KDUOJBNIOROIAY-SFHVURJKSA-N 2 1 288.479 3.974 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2)C1 ZINC000539820448 1127943241 /nfs/dbraw/zinc/94/32/41/1127943241.db2.gz KDUOJBNIOROIAY-SFHVURJKSA-N 2 1 288.479 3.974 20 0 CHADMP CC/C=C\CC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000467187791 1127957995 /nfs/dbraw/zinc/95/79/95/1127957995.db2.gz SJFIIVHANRBROK-MSNYOWOLSA-N 2 1 264.457 3.585 20 0 CHADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000544348974 1127968942 /nfs/dbraw/zinc/96/89/42/1127968942.db2.gz OAAMCKIGLBRPJO-VSZNYVQBSA-N 2 1 278.484 3.619 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000544348974 1127968946 /nfs/dbraw/zinc/96/89/46/1127968946.db2.gz OAAMCKIGLBRPJO-VSZNYVQBSA-N 2 1 278.484 3.619 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000544348974 1127968949 /nfs/dbraw/zinc/96/89/49/1127968949.db2.gz OAAMCKIGLBRPJO-VSZNYVQBSA-N 2 1 278.484 3.619 20 0 CHADMP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1cccc(F)c1 ZINC000544374411 1127970877 /nfs/dbraw/zinc/97/08/77/1127970877.db2.gz MXJNCIMWFABEQU-LSDHHAIUSA-N 2 1 278.415 3.741 20 0 CHADMP CCc1ccc([C@H]([NH2+]C[C@H]2CC[N@H+](CC)C2)C(C)C)cc1 ZINC000540259194 1127971707 /nfs/dbraw/zinc/97/17/07/1127971707.db2.gz ONPUGBHIWUKNPA-IEBWSBKVSA-N 2 1 288.479 3.878 20 0 CHADMP Cc1ccccc1[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC000540360147 1127976736 /nfs/dbraw/zinc/97/67/36/1127976736.db2.gz PLTGFBXZLIFFGM-WMZOPIPTSA-N 2 1 274.452 3.766 20 0 CHADMP C[C@@H]1CC[N@@H+](Cc2cccc3nccn32)[C@H]2CCCC[C@H]12 ZINC000540507849 1127981499 /nfs/dbraw/zinc/98/14/99/1127981499.db2.gz PXRMFPNCHVUZSR-OIISXLGYSA-N 2 1 283.419 3.735 20 0 CHADMP C[C@@H]1CCN(Cc2cccc3nccn32)[C@H]2CCCC[C@H]12 ZINC000540507849 1127981503 /nfs/dbraw/zinc/98/15/03/1127981503.db2.gz PXRMFPNCHVUZSR-OIISXLGYSA-N 2 1 283.419 3.735 20 0 CHADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000468355162 1128003320 /nfs/dbraw/zinc/00/33/20/1128003320.db2.gz CXGOPLQYQJMWBX-ZRNYENFQSA-N 2 1 298.474 3.848 20 0 CHADMP CCC[C@@H](CCc1ccccc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000545191749 1128003625 /nfs/dbraw/zinc/00/36/25/1128003625.db2.gz VBZQYKFGTLOTIQ-IBGZPJMESA-N 2 1 286.463 3.639 20 0 CHADMP Cc1cccc(C)c1[C@H](C)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000545517628 1128018178 /nfs/dbraw/zinc/01/81/78/1128018178.db2.gz RBDGRXFCVKFZNH-DLBZAZTESA-N 2 1 274.452 3.828 20 0 CHADMP Cc1cccc(C)c1[C@H](C)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000545517630 1128018376 /nfs/dbraw/zinc/01/83/76/1128018376.db2.gz RBDGRXFCVKFZNH-IRXDYDNUSA-N 2 1 274.452 3.828 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1C=CCCC1 ZINC000469777327 1128053843 /nfs/dbraw/zinc/05/38/43/1128053843.db2.gz WYLJCXUSWVDIJR-BWPNAZKDSA-N 2 1 298.474 3.841 20 0 CHADMP Cc1ccccc1-c1cccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000469861764 1128055837 /nfs/dbraw/zinc/05/58/37/1128055837.db2.gz XZXLGYOPVOTGBF-FUHWJXTLSA-N 2 1 294.442 3.831 20 0 CHADMP CC(C)c1ccc(CC[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000469917971 1128057423 /nfs/dbraw/zinc/05/74/23/1128057423.db2.gz MOTLXDOGTLVCGL-UHFFFAOYSA-N 2 1 288.479 3.626 20 0 CHADMP C[N@H+]1CCCC12CC[NH+]([C@@H]1CCCc3ccccc31)CC2 ZINC000542266289 1128061280 /nfs/dbraw/zinc/06/12/80/1128061280.db2.gz ULKJEROGEPQGMJ-GOSISDBHSA-N 2 1 284.447 3.624 20 0 CHADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000470019482 1128062164 /nfs/dbraw/zinc/06/21/64/1128062164.db2.gz FLWYGZGDXQTRKL-HNNXBMFYSA-N 2 1 298.405 3.534 20 0 CHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000470019482 1128062168 /nfs/dbraw/zinc/06/21/68/1128062168.db2.gz FLWYGZGDXQTRKL-HNNXBMFYSA-N 2 1 298.405 3.534 20 0 CHADMP CC[C@H]([NH2+][C@H](C)CC[NH+](C)C)c1ccc(Cl)s1 ZINC000470251559 1128067045 /nfs/dbraw/zinc/06/70/45/1128067045.db2.gz BVGBNMDHGJPODQ-MNOVXSKESA-N 2 1 274.861 3.782 20 0 CHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000470363840 1128070319 /nfs/dbraw/zinc/07/03/19/1128070319.db2.gz QPOAOAXFQAVGGU-DVOMOZLQSA-N 2 1 280.843 3.516 20 0 CHADMP C[C@@H](c1ccccc1F)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470977524 1128084363 /nfs/dbraw/zinc/08/43/63/1128084363.db2.gz WXHUOMPBGMEURI-HOCLYGCPSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@@H](c1ccccc1F)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470977524 1128084367 /nfs/dbraw/zinc/08/43/67/1128084367.db2.gz WXHUOMPBGMEURI-HOCLYGCPSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@@H](c1ccccc1F)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470977524 1128084371 /nfs/dbraw/zinc/08/43/71/1128084371.db2.gz WXHUOMPBGMEURI-HOCLYGCPSA-N 2 1 290.426 3.550 20 0 CHADMP C[C@@H](c1ccccc1F)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470977524 1128084376 /nfs/dbraw/zinc/08/43/76/1128084376.db2.gz WXHUOMPBGMEURI-HOCLYGCPSA-N 2 1 290.426 3.550 20 0 CHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000173388883 1128087556 /nfs/dbraw/zinc/08/75/56/1128087556.db2.gz JGDXCOWLJNLWDC-KBPBESRZSA-N 2 1 296.405 3.736 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000173388883 1128087559 /nfs/dbraw/zinc/08/75/59/1128087559.db2.gz JGDXCOWLJNLWDC-KBPBESRZSA-N 2 1 296.405 3.736 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCC[C@H]2C)C[C@H]1C ZINC000542464674 1128129582 /nfs/dbraw/zinc/12/95/82/1128129582.db2.gz FLSNIBSYHLKCOR-NCOADZHNSA-N 2 1 266.473 3.617 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCC[C@H]2C)C[C@H]1C ZINC000542464674 1128129584 /nfs/dbraw/zinc/12/95/84/1128129584.db2.gz FLSNIBSYHLKCOR-NCOADZHNSA-N 2 1 266.473 3.617 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCC[C@H]2C)C[C@H]1C ZINC000542464674 1128129587 /nfs/dbraw/zinc/12/95/87/1128129587.db2.gz FLSNIBSYHLKCOR-NCOADZHNSA-N 2 1 266.473 3.617 20 0 CHADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2coc3ccccc32)CC1 ZINC000925303003 1128128307 /nfs/dbraw/zinc/12/83/07/1128128307.db2.gz KUVHDRKGVRKCGA-CQSZACIVSA-N 2 1 286.419 3.956 20 0 CHADMP CSCCCCCC[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925637210 1128135011 /nfs/dbraw/zinc/13/50/11/1128135011.db2.gz ISPRBDRDAGTMJK-ZBFHGGJFSA-N 2 1 280.481 3.588 20 0 CHADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000925825648 1128143285 /nfs/dbraw/zinc/14/32/85/1128143285.db2.gz BDCOHGBICKZFPF-IGNZVWTISA-N 2 1 284.378 3.930 20 0 CHADMP C/C(=C/c1ccccc1)C[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000494234848 1128167409 /nfs/dbraw/zinc/16/74/09/1128167409.db2.gz RUVPSSHURWRAJK-BROZXCPCSA-N 2 1 272.436 3.506 20 0 CHADMP C/C(=C/c1ccccc1)C[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000494234848 1128167410 /nfs/dbraw/zinc/16/74/10/1128167410.db2.gz RUVPSSHURWRAJK-BROZXCPCSA-N 2 1 272.436 3.506 20 0 CHADMP C/C(=C/c1ccccc1)C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000494234848 1128167414 /nfs/dbraw/zinc/16/74/14/1128167414.db2.gz RUVPSSHURWRAJK-BROZXCPCSA-N 2 1 272.436 3.506 20 0 CHADMP C/C(=C/c1ccccc1)C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000494234848 1128167416 /nfs/dbraw/zinc/16/74/16/1128167416.db2.gz RUVPSSHURWRAJK-BROZXCPCSA-N 2 1 272.436 3.506 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc2ccccc2[nH]1 ZINC000926753298 1128192146 /nfs/dbraw/zinc/19/21/46/1128192146.db2.gz MYQPSRVJJCXGMF-GJZGRUSLSA-N 2 1 285.435 3.550 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)[C@H]1C ZINC000495039677 1128225377 /nfs/dbraw/zinc/22/53/77/1128225377.db2.gz CXEXCFBILGSAGJ-DLTWYDFYSA-N 2 1 292.492 3.594 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)[C@H]1C ZINC000495039677 1128225380 /nfs/dbraw/zinc/22/53/80/1128225380.db2.gz CXEXCFBILGSAGJ-DLTWYDFYSA-N 2 1 292.492 3.594 20 0 CHADMP FCc1ccccc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000929688059 1128282627 /nfs/dbraw/zinc/28/26/27/1128282627.db2.gz OPANRNPGEMXARX-GOSISDBHSA-N 2 1 290.426 3.606 20 0 CHADMP FCc1ccccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000929688059 1128282629 /nfs/dbraw/zinc/28/26/29/1128282629.db2.gz OPANRNPGEMXARX-GOSISDBHSA-N 2 1 290.426 3.606 20 0 CHADMP CC(C)=CCC[C@H](C)C[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235174175 1128311625 /nfs/dbraw/zinc/31/16/25/1128311625.db2.gz SJCMMJHHGIEZIN-ROUUACIJSA-N 2 1 278.484 3.977 20 0 CHADMP CCCC[N@@H+](CCC[C@@H](C)O)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034140 1128344992 /nfs/dbraw/zinc/34/49/92/1128344992.db2.gz OQZJVZUCRJLPFY-OAHLLOKOSA-N 2 1 298.515 3.559 20 0 CHADMP CC(C)C(C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000394068916 1128351263 /nfs/dbraw/zinc/35/12/63/1128351263.db2.gz IOTQUUBSGPYCMF-MQVJKMGUSA-N 2 1 266.473 3.520 20 0 CHADMP C[N@H+]1CCC[C@@H]1CCN1CC(C)(C)[C@@H]1c1cccs1 ZINC000561961425 1128365942 /nfs/dbraw/zinc/36/59/42/1128365942.db2.gz JRQMAHVLRGYSTL-HIFRSBDPSA-N 2 1 278.465 3.615 20 0 CHADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000561961425 1128365946 /nfs/dbraw/zinc/36/59/46/1128365946.db2.gz JRQMAHVLRGYSTL-HIFRSBDPSA-N 2 1 278.465 3.615 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000561961425 1128365951 /nfs/dbraw/zinc/36/59/51/1128365951.db2.gz JRQMAHVLRGYSTL-HIFRSBDPSA-N 2 1 278.465 3.615 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000561961425 1128365956 /nfs/dbraw/zinc/36/59/56/1128365956.db2.gz JRQMAHVLRGYSTL-HIFRSBDPSA-N 2 1 278.465 3.615 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000561961425 1128365959 /nfs/dbraw/zinc/36/59/59/1128365959.db2.gz JRQMAHVLRGYSTL-HIFRSBDPSA-N 2 1 278.465 3.615 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000562017927 1128371641 /nfs/dbraw/zinc/37/16/41/1128371641.db2.gz MGZRLPCUOFTNIO-ATLSCFEFSA-N 2 1 278.484 3.523 20 0 CHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000562040239 1128373209 /nfs/dbraw/zinc/37/32/09/1128373209.db2.gz WSSMLNZFKNOXCZ-CDHQVMDDSA-N 2 1 298.474 3.990 20 0 CHADMP CC1(C)CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000562058759 1128375259 /nfs/dbraw/zinc/37/52/59/1128375259.db2.gz RQMIWHUHJCIHMG-AKHDSKFASA-N 2 1 298.474 3.960 20 0 CHADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C)cc1 ZINC000562090620 1128378263 /nfs/dbraw/zinc/37/82/63/1128378263.db2.gz CMDLILGKGUNUHT-XHSDSOJGSA-N 2 1 292.467 3.506 20 0 CHADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000562090620 1128378266 /nfs/dbraw/zinc/37/82/66/1128378266.db2.gz CMDLILGKGUNUHT-XHSDSOJGSA-N 2 1 292.467 3.506 20 0 CHADMP Cc1[nH]c(C2CC[NH+](CCCC(C)(F)F)CC2)[nH+]c1C ZINC000931748747 1128379864 /nfs/dbraw/zinc/37/98/64/1128379864.db2.gz NJWFNYPLDVTWPT-UHFFFAOYSA-N 2 1 285.382 3.641 20 0 CHADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccc(-c2cccs2)s1 ZINC001235925254 1128393996 /nfs/dbraw/zinc/39/39/96/1128393996.db2.gz NCNKHVHFLJBLDE-LBPRGKRZSA-N 2 1 292.473 3.790 20 0 CHADMP CSc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996652 1128404940 /nfs/dbraw/zinc/40/49/40/1128404940.db2.gz LCFBNQKYUCWLFB-RRQGHBQHSA-N 2 1 290.476 3.686 20 0 CHADMP CSc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996652 1128404942 /nfs/dbraw/zinc/40/49/42/1128404942.db2.gz LCFBNQKYUCWLFB-RRQGHBQHSA-N 2 1 290.476 3.686 20 0 CHADMP C[C@H](CC[N@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000562580088 1128411589 /nfs/dbraw/zinc/41/15/89/1128411589.db2.gz TWMMKOBAVNNLQG-AEFFLSMTSA-N 2 1 274.452 3.596 20 0 CHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC000037643706 1128434117 /nfs/dbraw/zinc/43/41/17/1128434117.db2.gz VKYOMCKVEQZLCI-HOTGVXAUSA-N 2 1 274.452 3.802 20 0 CHADMP CC(C)c1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649525 1128434964 /nfs/dbraw/zinc/43/49/64/1128434964.db2.gz PSYXUHPSSFFXPK-JKSUJKDBSA-N 2 1 286.463 3.945 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000125436633 1128449623 /nfs/dbraw/zinc/44/96/23/1128449623.db2.gz OVDRLSQCIQWWLK-LJQANCHMSA-N 2 1 297.446 3.679 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000125436633 1128449625 /nfs/dbraw/zinc/44/96/25/1128449625.db2.gz OVDRLSQCIQWWLK-LJQANCHMSA-N 2 1 297.446 3.679 20 0 CHADMP Cc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000125752900 1128452972 /nfs/dbraw/zinc/45/29/72/1128452972.db2.gz LDRFNBYFVLPZLI-VQIMIIECSA-N 2 1 286.463 3.692 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000563121602 1128450775 /nfs/dbraw/zinc/45/07/75/1128450775.db2.gz RZBMJQCOAPJXQX-YJBOKZPZSA-N 2 1 284.447 3.572 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000563121602 1128450777 /nfs/dbraw/zinc/45/07/77/1128450777.db2.gz RZBMJQCOAPJXQX-YJBOKZPZSA-N 2 1 284.447 3.572 20 0 CHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000125871748 1128455855 /nfs/dbraw/zinc/45/58/55/1128455855.db2.gz SZNYMYKVSHYMCD-KBPBESRZSA-N 2 1 296.405 3.736 20 0 CHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000125871748 1128455856 /nfs/dbraw/zinc/45/58/56/1128455856.db2.gz SZNYMYKVSHYMCD-KBPBESRZSA-N 2 1 296.405 3.736 20 0 CHADMP CC[C@H](C)[N@@H+](CCCn1ccnc1C)Cc1ccccc1 ZINC000127295654 1128474597 /nfs/dbraw/zinc/47/45/97/1128474597.db2.gz YGFBOSSSLFXMIC-INIZCTEOSA-N 2 1 285.435 3.882 20 0 CHADMP CC[C@H](C)[N@H+](CCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000127295654 1128474599 /nfs/dbraw/zinc/47/45/99/1128474599.db2.gz YGFBOSSSLFXMIC-INIZCTEOSA-N 2 1 285.435 3.882 20 0 CHADMP CC[C@H](C)[N@@H+](CCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000127295654 1128474602 /nfs/dbraw/zinc/47/46/02/1128474602.db2.gz YGFBOSSSLFXMIC-INIZCTEOSA-N 2 1 285.435 3.882 20 0 CHADMP CC[C@@H](C)[N@@H+](CCCn1ccnc1C)Cc1ccccc1 ZINC000127295415 1128474777 /nfs/dbraw/zinc/47/47/77/1128474777.db2.gz YGFBOSSSLFXMIC-MRXNPFEDSA-N 2 1 285.435 3.882 20 0 CHADMP CC[C@@H](C)[N@H+](CCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000127295415 1128474778 /nfs/dbraw/zinc/47/47/78/1128474778.db2.gz YGFBOSSSLFXMIC-MRXNPFEDSA-N 2 1 285.435 3.882 20 0 CHADMP CC[C@@H](C)[N@@H+](CCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000127295415 1128474780 /nfs/dbraw/zinc/47/47/80/1128474780.db2.gz YGFBOSSSLFXMIC-MRXNPFEDSA-N 2 1 285.435 3.882 20 0 CHADMP C[C@H](CCc1ccco1)[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000226701769 1128487533 /nfs/dbraw/zinc/48/75/33/1128487533.db2.gz JNEDYONREJPKOW-NUJGCVRESA-N 2 1 292.467 3.701 20 0 CHADMP CCCCCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040622460 1128525101 /nfs/dbraw/zinc/52/51/01/1128525101.db2.gz MOVFOPUFFDOOGI-HOTGVXAUSA-N 2 1 254.462 3.665 20 0 CHADMP CCC[C@H]1[C@@H](C)CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000129082073 1128530619 /nfs/dbraw/zinc/53/06/19/1128530619.db2.gz OMUKCAVDZGRLQK-RDJZCZTQSA-N 2 1 277.456 3.872 20 0 CHADMP CCC[C@H]1[C@@H](C)CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000129082073 1128530625 /nfs/dbraw/zinc/53/06/25/1128530625.db2.gz OMUKCAVDZGRLQK-RDJZCZTQSA-N 2 1 277.456 3.872 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]CCCC2CC2)C[C@@H]1c1ccccc1 ZINC000556118374 1128550201 /nfs/dbraw/zinc/55/02/01/1128550201.db2.gz NLBZYQSABQRCES-ZWKOTPCHSA-N 2 1 272.436 3.602 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CCCC2CC2)C[C@@H]1c1ccccc1 ZINC000556118374 1128550204 /nfs/dbraw/zinc/55/02/04/1128550204.db2.gz NLBZYQSABQRCES-ZWKOTPCHSA-N 2 1 272.436 3.602 20 0 CHADMP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000130121328 1128566943 /nfs/dbraw/zinc/56/69/43/1128566943.db2.gz URBYSIREIAAGAA-JYJNAYRXSA-N 2 1 290.451 3.607 20 0 CHADMP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000130121328 1128566946 /nfs/dbraw/zinc/56/69/46/1128566946.db2.gz URBYSIREIAAGAA-JYJNAYRXSA-N 2 1 290.451 3.607 20 0 CHADMP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000130121328 1128566949 /nfs/dbraw/zinc/56/69/49/1128566949.db2.gz URBYSIREIAAGAA-JYJNAYRXSA-N 2 1 290.451 3.607 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000567648356 1128569530 /nfs/dbraw/zinc/56/95/30/1128569530.db2.gz CKYGPOCEXONALB-USXIJHARSA-N 2 1 295.430 3.556 20 0 CHADMP CCC[N@H+](C)C[C@H]1CCN(c2[nH+]ccc3c(C)cccc32)C1 ZINC000567751818 1128570871 /nfs/dbraw/zinc/57/08/71/1128570871.db2.gz ONEBEIZLGKPPMP-MRXNPFEDSA-N 2 1 297.446 3.711 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CCN(c2[nH+]ccc3c(C)cccc32)C1 ZINC000567751818 1128570873 /nfs/dbraw/zinc/57/08/73/1128570873.db2.gz ONEBEIZLGKPPMP-MRXNPFEDSA-N 2 1 297.446 3.711 20 0 CHADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+](C)CCCC[NH3+] ZINC001236143205 1128580061 /nfs/dbraw/zinc/58/00/61/1128580061.db2.gz TYBHJSOXXXDPDO-MRXNPFEDSA-N 2 1 290.495 3.833 20 0 CHADMP CC(C)(C)C1CCC(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000131331512 1128614858 /nfs/dbraw/zinc/61/48/58/1128614858.db2.gz DIPNGPMYSVIUEO-CGZBRXJRSA-N 2 1 292.511 3.913 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)CCC2CCCC2)C1 ZINC000568564738 1128587604 /nfs/dbraw/zinc/58/76/04/1128587604.db2.gz ARDCUSGGMWZIKA-NVXWUHKLSA-N 2 1 266.473 3.665 20 0 CHADMP CC(C)CC1(C)CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000568648854 1128588931 /nfs/dbraw/zinc/58/89/31/1128588931.db2.gz GLDMOJIITUFEAG-UHFFFAOYSA-N 2 1 277.456 3.501 20 0 CHADMP CC[C@H](F)CN[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000569022409 1128596877 /nfs/dbraw/zinc/59/68/77/1128596877.db2.gz QYRVPWDSUCCGCE-DLBZAZTESA-N 2 1 292.442 3.625 20 0 CHADMP CC[C@H](F)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000569022409 1128596880 /nfs/dbraw/zinc/59/68/80/1128596880.db2.gz QYRVPWDSUCCGCE-DLBZAZTESA-N 2 1 292.442 3.625 20 0 CHADMP CC[C@H](F)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000569022409 1128596883 /nfs/dbraw/zinc/59/68/83/1128596883.db2.gz QYRVPWDSUCCGCE-DLBZAZTESA-N 2 1 292.442 3.625 20 0 CHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2F)CC1 ZINC000569024437 1128597093 /nfs/dbraw/zinc/59/70/93/1128597093.db2.gz IYSZEZXZYGBLJS-XLNGHYISSA-N 2 1 282.447 3.510 20 0 CHADMP Cc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])c(C)c1Cl ZINC001236213562 1128615871 /nfs/dbraw/zinc/61/58/71/1128615871.db2.gz CAKJELRXHQUAGO-CABCVRRESA-N 2 1 280.843 3.659 20 0 CHADMP Cc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])c(C)c1Cl ZINC001236213562 1128615872 /nfs/dbraw/zinc/61/58/72/1128615872.db2.gz CAKJELRXHQUAGO-CABCVRRESA-N 2 1 280.843 3.659 20 0 CHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)C1CCCCC1 ZINC000556870858 1128632801 /nfs/dbraw/zinc/63/28/01/1128632801.db2.gz QYMNGDDVCVQBPM-VDHUWJSZSA-N 2 1 278.484 3.665 20 0 CHADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000556885318 1128633652 /nfs/dbraw/zinc/63/36/52/1128633652.db2.gz FKXASQJZBMTZFK-ZACQAIPSSA-N 2 1 284.463 3.615 20 0 CHADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000556885318 1128633655 /nfs/dbraw/zinc/63/36/55/1128633655.db2.gz FKXASQJZBMTZFK-ZACQAIPSSA-N 2 1 284.463 3.615 20 0 CHADMP CCCCC[N@H+](CCn1cc[nH+]c1C)[C@H](C)CCC ZINC000499067963 1128637907 /nfs/dbraw/zinc/63/79/07/1128637907.db2.gz DLMIRDPUNHXJAM-OAHLLOKOSA-N 2 1 265.445 3.872 20 0 CHADMP CCCCC[N@@H+](CCn1cc[nH+]c1C)[C@H](C)CCC ZINC000499067963 1128637910 /nfs/dbraw/zinc/63/79/10/1128637910.db2.gz DLMIRDPUNHXJAM-OAHLLOKOSA-N 2 1 265.445 3.872 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)(c2ccccc2)CC1 ZINC000131805192 1128638690 /nfs/dbraw/zinc/63/86/90/1128638690.db2.gz BEFHSDONNOZDSS-SFHVURJKSA-N 2 1 286.463 3.524 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000572689457 1128647117 /nfs/dbraw/zinc/64/71/17/1128647117.db2.gz MBNKDMIJJXHUBC-ROUUACIJSA-N 2 1 283.419 3.666 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000572738102 1128647819 /nfs/dbraw/zinc/64/78/19/1128647819.db2.gz VXQQKWRJBPQXKL-IPELMVKDSA-N 2 1 286.463 3.805 20 0 CHADMP CC[N@H+](CCCc1c[nH+]cn1C)Cc1cccc(Cl)c1 ZINC000573621995 1128656028 /nfs/dbraw/zinc/65/60/28/1128656028.db2.gz SZWHDKBPJFHYGK-UHFFFAOYSA-N 2 1 291.826 3.528 20 0 CHADMP CC[N@@H+](CCCc1c[nH+]cn1C)Cc1cccc(Cl)c1 ZINC000573621995 1128656030 /nfs/dbraw/zinc/65/60/30/1128656030.db2.gz SZWHDKBPJFHYGK-UHFFFAOYSA-N 2 1 291.826 3.528 20 0 CHADMP CSc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)s1 ZINC000578404161 1128717025 /nfs/dbraw/zinc/71/70/25/1128717025.db2.gz ITYNQRUQVOCOQT-ZDUSSCGKSA-N 2 1 298.521 3.680 20 0 CHADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000578778422 1128729525 /nfs/dbraw/zinc/72/95/25/1128729525.db2.gz UXEWKHNXBSXXTQ-AWEZNQCLSA-N 2 1 298.405 3.664 20 0 CHADMP Cc1cccc([C@@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000799177880 1128731542 /nfs/dbraw/zinc/73/15/42/1128731542.db2.gz WUWDRPQHRXGWAW-QGZVFWFLSA-N 2 1 286.463 3.864 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000578904019 1128732900 /nfs/dbraw/zinc/73/29/00/1128732900.db2.gz FFTMNGLDWXSCOW-RTBURBONSA-N 2 1 297.446 3.621 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000578904019 1128732904 /nfs/dbraw/zinc/73/29/04/1128732904.db2.gz FFTMNGLDWXSCOW-RTBURBONSA-N 2 1 297.446 3.621 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)s1 ZINC000643546264 1117793718 /nfs/dbraw/zinc/79/37/18/1117793718.db2.gz LMFDTHGYXDKXKC-QWRGUYRKSA-N 2 1 284.856 3.727 20 0 CHADMP CCCC[C@H](CC)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623336783 1117834615 /nfs/dbraw/zinc/83/46/15/1117834615.db2.gz DYAKWZYVTLYHSD-GJZGRUSLSA-N 2 1 254.462 3.665 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc3ccccc3c2)CC1(C)C ZINC000623380633 1117846630 /nfs/dbraw/zinc/84/66/30/1117846630.db2.gz IJBFCBLHMIYSGJ-IBGZPJMESA-N 2 1 296.458 3.845 20 0 CHADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000623379975 1117847603 /nfs/dbraw/zinc/84/76/03/1117847603.db2.gz NCYQRZRBMNGTDB-GOEBONIOSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c(C)c1 ZINC000623410871 1117851633 /nfs/dbraw/zinc/85/16/33/1117851633.db2.gz JEABBYOWLSUQHN-WMZOPIPTSA-N 2 1 288.479 3.697 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[C@@H](C)c1ccccc1 ZINC000623438993 1117856537 /nfs/dbraw/zinc/85/65/37/1117856537.db2.gz RTXOPZKXOXGJPN-HLLBOEOZSA-N 2 1 274.452 3.641 20 0 CHADMP CC(C)CC1(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCC1 ZINC000623445511 1117858120 /nfs/dbraw/zinc/85/81/20/1117858120.db2.gz UFUHZZFBCIPZEW-HNNXBMFYSA-N 2 1 266.473 3.665 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3sccc32)CC1(C)C ZINC000623494341 1117862529 /nfs/dbraw/zinc/86/25/29/1117862529.db2.gz NIECYCYPLMWLJQ-GXTWGEPZSA-N 2 1 278.465 3.588 20 0 CHADMP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623506841 1117862819 /nfs/dbraw/zinc/86/28/19/1117862819.db2.gz JJFCHHWJSHAFKU-VXGBXAGGSA-N 2 1 280.378 3.570 20 0 CHADMP CSc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623514397 1117864126 /nfs/dbraw/zinc/86/41/26/1117864126.db2.gz MLLMHBQRJFFGSH-UONOGXRCSA-N 2 1 292.492 3.932 20 0 CHADMP CSc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623514397 1117864131 /nfs/dbraw/zinc/86/41/31/1117864131.db2.gz MLLMHBQRJFFGSH-UONOGXRCSA-N 2 1 292.492 3.932 20 0 CHADMP CC(C)=CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623537855 1117869903 /nfs/dbraw/zinc/86/99/03/1117869903.db2.gz KOXJRTQQDOGCNK-CABCVRRESA-N 2 1 252.446 3.584 20 0 CHADMP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623562586 1117872614 /nfs/dbraw/zinc/87/26/14/1117872614.db2.gz WGHPAZYDVACCJC-IAGOWNOFSA-N 2 1 292.442 3.609 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000579185597 1128740910 /nfs/dbraw/zinc/74/09/10/1128740910.db2.gz ZJIVTBYNGOHXKE-GOSISDBHSA-N 2 1 274.452 3.848 20 0 CHADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1F ZINC000623564789 1117873260 /nfs/dbraw/zinc/87/32/60/1117873260.db2.gz QYURXFRVQLTRQC-PBHICJAKSA-N 2 1 292.442 3.985 20 0 CHADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1F ZINC000623564789 1117873267 /nfs/dbraw/zinc/87/32/67/1117873267.db2.gz QYURXFRVQLTRQC-PBHICJAKSA-N 2 1 292.442 3.985 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc3ccccc3c2)[C@H](C)C1 ZINC000178025522 1117883519 /nfs/dbraw/zinc/88/35/19/1117883519.db2.gz JXVPBUMZWCKRET-UZLBHIALSA-N 2 1 296.458 3.702 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C2CCCCC2)CC[N@H+]1C ZINC000179548128 1117907141 /nfs/dbraw/zinc/90/71/41/1117907141.db2.gz TYIPIDAJCXYVMA-HOCLYGCPSA-N 2 1 266.473 3.665 20 0 CHADMP CCN1CCC([N@@H+](C)[C@@H](C)CCc2cccc(F)c2)CC1 ZINC000543985914 1117936672 /nfs/dbraw/zinc/93/66/72/1117936672.db2.gz DPAQPLVOMNKUQK-HNNXBMFYSA-N 2 1 292.442 3.563 20 0 CHADMP CC[NH+]1CCC([N@H+](C)[C@@H](C)CCc2cccc(F)c2)CC1 ZINC000543985914 1117936674 /nfs/dbraw/zinc/93/66/74/1117936674.db2.gz DPAQPLVOMNKUQK-HNNXBMFYSA-N 2 1 292.442 3.563 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)[C@@H](C)CCc2cccc(F)c2)CC1 ZINC000543985914 1117936675 /nfs/dbraw/zinc/93/66/75/1117936675.db2.gz DPAQPLVOMNKUQK-HNNXBMFYSA-N 2 1 292.442 3.563 20 0 CHADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCCC34CC4)CC2)cc1 ZINC000623825103 1117942341 /nfs/dbraw/zinc/94/23/41/1117942341.db2.gz WVJFBCUACMBUQN-SFHVURJKSA-N 2 1 298.474 3.821 20 0 CHADMP CC[C@H](CCc1ccccc1)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000623886487 1117952232 /nfs/dbraw/zinc/95/22/32/1117952232.db2.gz BITBFBIKFGEVJD-VQIMIIECSA-N 2 1 299.462 3.829 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc2c(c1)CCC2 ZINC000624120021 1117983414 /nfs/dbraw/zinc/98/34/14/1117983414.db2.gz PRCUPTUWRHBRQT-HOTGVXAUSA-N 2 1 286.463 3.558 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc2c(c1)CCC2 ZINC000624120023 1117983617 /nfs/dbraw/zinc/98/36/17/1117983617.db2.gz PRCUPTUWRHBRQT-JKSUJKDBSA-N 2 1 286.463 3.558 20 0 CHADMP Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1C ZINC000624120924 1117984488 /nfs/dbraw/zinc/98/44/88/1117984488.db2.gz KIGGADGZBYGEKK-IRXDYDNUSA-N 2 1 274.452 3.686 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000624122970 1117984579 /nfs/dbraw/zinc/98/45/79/1117984579.db2.gz BZLRAUUJNHHDNX-CAMMJAKZSA-N 2 1 286.463 3.500 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)s1 ZINC000624120112 1117984850 /nfs/dbraw/zinc/98/48/50/1117984850.db2.gz RLJGOPDYQWZVFV-VXGBXAGGSA-N 2 1 286.872 3.784 20 0 CHADMP Cc1ccc([C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)C2CC2)cc1 ZINC000624122148 1117984989 /nfs/dbraw/zinc/98/49/89/1117984989.db2.gz KWKJJEQSBZTPDF-APWZRJJASA-N 2 1 286.463 3.768 20 0 CHADMP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)s1 ZINC000624120312 1117985150 /nfs/dbraw/zinc/98/51/50/1117985150.db2.gz WCKTYCOLSGOBDB-KGLIPLIRSA-N 2 1 280.481 3.693 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(C)c1 ZINC000624124003 1117985213 /nfs/dbraw/zinc/98/52/13/1117985213.db2.gz VLVUKYKWQUGAFS-AEFFLSMTSA-N 2 1 274.452 3.768 20 0 CHADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000624120892 1117985487 /nfs/dbraw/zinc/98/54/87/1117985487.db2.gz JJOSSXXSVVUCJJ-SUMWQHHRSA-N 2 1 292.854 3.649 20 0 CHADMP Cc1ccccc1C1CC([NH2+]C[C@H]2CCCC[N@H+](C)C2)C1 ZINC000624122106 1117985974 /nfs/dbraw/zinc/98/59/74/1117985974.db2.gz JWVRSUWZDDOULM-WWDZGPRUSA-N 2 1 286.463 3.563 20 0 CHADMP C[C@@H]1C[C@H]([N@@H+](C)CCCc2ccccc2Cl)CC[NH+]1C ZINC000181946283 1118010561 /nfs/dbraw/zinc/01/05/61/1118010561.db2.gz PNHLEEPAFOLPJC-GDBMZVCRSA-N 2 1 294.870 3.687 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)CCCc2ccccc2Cl)CC[N@@H+]1C ZINC000181946283 1118010553 /nfs/dbraw/zinc/01/05/53/1118010553.db2.gz PNHLEEPAFOLPJC-GDBMZVCRSA-N 2 1 294.870 3.687 20 0 CHADMP C[C@@H]1C[C@H]([NH+](C)CCCc2ccccc2Cl)CC[N@H+]1C ZINC000181946283 1118010555 /nfs/dbraw/zinc/01/05/55/1118010555.db2.gz PNHLEEPAFOLPJC-GDBMZVCRSA-N 2 1 294.870 3.687 20 0 CHADMP C[C@@H]1C[C@H]([N@H+](C)CCCc2ccccc2Cl)CC[NH+]1C ZINC000181946283 1118010559 /nfs/dbraw/zinc/01/05/59/1118010559.db2.gz PNHLEEPAFOLPJC-GDBMZVCRSA-N 2 1 294.870 3.687 20 0 CHADMP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC000182073317 1118012892 /nfs/dbraw/zinc/01/28/92/1118012892.db2.gz QUJXBOKCFNIFSO-SUMWQHHRSA-N 2 1 296.405 3.593 20 0 CHADMP C[C@H](CC[NH2+][C@H](C)C1(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000361735384 1118030683 /nfs/dbraw/zinc/03/06/83/1118030683.db2.gz IVTAHDWYWNWZIX-HZPDHXFCSA-N 2 1 274.452 3.675 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccc(Cl)cc1 ZINC000037644081 1118033255 /nfs/dbraw/zinc/03/32/55/1118033255.db2.gz QMZLUPMQQXYCKX-CJNGLKHVSA-N 2 1 280.843 3.723 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccc(Cl)cc1 ZINC000037644082 1118033450 /nfs/dbraw/zinc/03/34/50/1118033450.db2.gz QMZLUPMQQXYCKX-CZUORRHYSA-N 2 1 280.843 3.723 20 0 CHADMP C[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211318491 1118040450 /nfs/dbraw/zinc/04/04/50/1118040450.db2.gz BWYIPLFVYRUHAH-CYBMUJFWSA-N 2 1 298.455 3.513 20 0 CHADMP CC(C)=CCC[C@@H](C)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001258085986 1128752112 /nfs/dbraw/zinc/75/21/12/1128752112.db2.gz PIGVLUMDHQWWPM-SJORKVTESA-N 2 1 266.473 3.962 20 0 CHADMP C[C@@H](c1cccs1)[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211953421 1118056270 /nfs/dbraw/zinc/05/62/70/1118056270.db2.gz AUMCMHZCAPJKJL-ZDUSSCGKSA-N 2 1 286.444 3.587 20 0 CHADMP CCC[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cccnc1 ZINC000184898299 1118058697 /nfs/dbraw/zinc/05/86/97/1118058697.db2.gz ZZJFJBYBFLHXQX-SFHVURJKSA-N 2 1 289.467 3.634 20 0 CHADMP C[C@@H]([NH2+]CCC1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185725446 1118063647 /nfs/dbraw/zinc/06/36/47/1118063647.db2.gz UISUSVYPZZDNMI-WBVHZDCISA-N 2 1 278.484 3.809 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000340174649 1118099167 /nfs/dbraw/zinc/09/91/67/1118099167.db2.gz QUKCHISWYNLFIC-OAHLLOKOSA-N 2 1 274.452 3.945 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCCC12CCCC2 ZINC000340232332 1118117196 /nfs/dbraw/zinc/11/71/96/1118117196.db2.gz RYDCSHORZIMGCJ-WBVHZDCISA-N 2 1 289.467 3.920 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H](C)SC2)c1 ZINC000655716924 1118192953 /nfs/dbraw/zinc/19/29/53/1118192953.db2.gz QFFWBXIPCLOSCG-RHSMWYFYSA-N 2 1 292.492 3.512 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[C@H](C)SC2)c1 ZINC000655716926 1118193245 /nfs/dbraw/zinc/19/32/45/1118193245.db2.gz QFFWBXIPCLOSCG-YOEHRIQHSA-N 2 1 292.492 3.512 20 0 CHADMP Cc1cc2c(c(C)c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC000655773046 1118206939 /nfs/dbraw/zinc/20/69/39/1118206939.db2.gz WQLGAQRVBQAROR-HQSKLWIPSA-N 2 1 284.447 3.506 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCC=CO2)cc1 ZINC000188581309 1128763190 /nfs/dbraw/zinc/76/31/90/1128763190.db2.gz XFBHZQNVKMQPAL-RDTXWAMCSA-N 2 1 297.402 3.524 20 0 CHADMP CC[C@@H](C)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001167322149 1118284129 /nfs/dbraw/zinc/28/41/29/1118284129.db2.gz QNTGNWXUZIDPOK-SJORKVTESA-N 2 1 266.473 3.621 20 0 CHADMP C[NH+](C)C1(C[NH2+]C2CCC(C)(C)CC2)CCCCC1 ZINC000079620063 1118307759 /nfs/dbraw/zinc/30/77/59/1118307759.db2.gz LCRPLNUOVBKWSB-UHFFFAOYSA-N 2 1 266.473 3.809 20 0 CHADMP CC(C)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123577437 1118339280 /nfs/dbraw/zinc/33/92/80/1118339280.db2.gz DBFCCOLSOIVMCP-CRAIPNDOSA-N 2 1 274.452 3.725 20 0 CHADMP CC(C)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123577437 1118339285 /nfs/dbraw/zinc/33/92/85/1118339285.db2.gz DBFCCOLSOIVMCP-CRAIPNDOSA-N 2 1 274.452 3.725 20 0 CHADMP CC(C)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123577437 1118339289 /nfs/dbraw/zinc/33/92/89/1118339289.db2.gz DBFCCOLSOIVMCP-CRAIPNDOSA-N 2 1 274.452 3.725 20 0 CHADMP CC(C)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123577437 1118339294 /nfs/dbraw/zinc/33/92/94/1118339294.db2.gz DBFCCOLSOIVMCP-CRAIPNDOSA-N 2 1 274.452 3.725 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000069754004 1118370463 /nfs/dbraw/zinc/37/04/63/1118370463.db2.gz NMJJCXQOZUCFGT-UHFFFAOYSA-N 2 1 298.217 3.678 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c(Cl)cccc1Cl ZINC000069754047 1118371071 /nfs/dbraw/zinc/37/10/71/1118371071.db2.gz RWHOUOSMJXGKKD-UHFFFAOYSA-N 2 1 298.217 3.678 20 0 CHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc2cnccc2c1 ZINC000683831434 1118397837 /nfs/dbraw/zinc/39/78/37/1118397837.db2.gz XOGXBKHZSILDBV-IBGZPJMESA-N 2 1 297.446 3.541 20 0 CHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc2cnccc2c1 ZINC000683831434 1118397842 /nfs/dbraw/zinc/39/78/42/1118397842.db2.gz XOGXBKHZSILDBV-IBGZPJMESA-N 2 1 297.446 3.541 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc2cnccc2c1 ZINC000683831434 1118397847 /nfs/dbraw/zinc/39/78/47/1118397847.db2.gz XOGXBKHZSILDBV-IBGZPJMESA-N 2 1 297.446 3.541 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc2cnccc2c1 ZINC000683831434 1118397852 /nfs/dbraw/zinc/39/78/52/1118397852.db2.gz XOGXBKHZSILDBV-IBGZPJMESA-N 2 1 297.446 3.541 20 0 CHADMP C[C@@]1(C[NH2+][C@@H]2CCCC23CC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000706528259 1118427662 /nfs/dbraw/zinc/42/76/62/1118427662.db2.gz HFPXDVYRFOYJQI-MOPGFXCFSA-N 2 1 298.474 3.821 20 0 CHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)C1CCCCC1 ZINC000556870857 1118431957 /nfs/dbraw/zinc/43/19/57/1118431957.db2.gz QYMNGDDVCVQBPM-SPUZQDLCSA-N 2 1 278.484 3.665 20 0 CHADMP Cc1ccc([C@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)C2CCC2)o1 ZINC000580379387 1118440898 /nfs/dbraw/zinc/44/08/98/1118440898.db2.gz YKPZUUVUJRLNRK-KBXCAEBGSA-N 2 1 290.451 3.751 20 0 CHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000683926927 1118446495 /nfs/dbraw/zinc/44/64/95/1118446495.db2.gz AXQZNFXNQLFOIJ-INIZCTEOSA-N 2 1 299.462 3.770 20 0 CHADMP C[N@@H+](CCC[NH2+]Cc1cc2ccccc2[nH]1)C1CCCCC1 ZINC000683927564 1118447043 /nfs/dbraw/zinc/44/70/43/1118447043.db2.gz LIEMPYBPTUCVKS-UHFFFAOYSA-N 2 1 299.462 3.912 20 0 CHADMP Cc1nccn1CCC[N@H+](C)C[C@H](C)CC(C)(C)C ZINC001657849977 1118460625 /nfs/dbraw/zinc/46/06/25/1118460625.db2.gz RTYFASOVNLVUMD-CQSZACIVSA-N 2 1 265.445 3.586 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](C)CC(C)(C)C ZINC001657849977 1118460626 /nfs/dbraw/zinc/46/06/26/1118460626.db2.gz RTYFASOVNLVUMD-CQSZACIVSA-N 2 1 265.445 3.586 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](C)CC(C)(C)C ZINC001657849977 1118460628 /nfs/dbraw/zinc/46/06/28/1118460628.db2.gz RTYFASOVNLVUMD-CQSZACIVSA-N 2 1 265.445 3.586 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCC(C)(C)C2)CC1(C)C ZINC001658138508 1118462860 /nfs/dbraw/zinc/46/28/60/1118462860.db2.gz FDDSKFXMCMDQCH-HUUCEWRRSA-N 2 1 266.473 3.665 20 0 CHADMP CCC[C@@H](CC)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000050402500 1118491631 /nfs/dbraw/zinc/49/16/31/1118491631.db2.gz GUFWWPKJTXDVAI-GOSISDBHSA-N 2 1 288.479 3.862 20 0 CHADMP C1CC1[NH+]1CCC([NH2+][C@H]2CCCC23CCCCC3)CC1 ZINC000313023524 1118529121 /nfs/dbraw/zinc/52/91/21/1118529121.db2.gz CLNLQQPAFRXWNO-KRWDZBQOSA-N 2 1 276.468 3.706 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2CC(C)=C[C@@H](C)C2)CC1 ZINC000581042439 1118535379 /nfs/dbraw/zinc/53/53/79/1118535379.db2.gz IPKZOJXIQNXWCK-WBVHZDCISA-N 2 1 278.484 3.785 20 0 CHADMP CC(C)(CC[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000656489705 1118564386 /nfs/dbraw/zinc/56/43/86/1118564386.db2.gz LNSBAQKMYYIRSA-UHFFFAOYSA-N 2 1 286.463 3.571 20 0 CHADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc(Cl)c1 ZINC000341106601 1118602994 /nfs/dbraw/zinc/60/29/94/1118602994.db2.gz QUUPOAOXWFRTAI-JKSUJKDBSA-N 2 1 280.843 3.865 20 0 CHADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000109943873 1118612603 /nfs/dbraw/zinc/61/26/03/1118612603.db2.gz AWQRDCKBCHNOAH-FHERZECASA-N 2 1 268.489 3.911 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CC[N@H+](C)C2CCCC2)CC(C)(C)C1 ZINC000109964446 1118626726 /nfs/dbraw/zinc/62/67/26/1118626726.db2.gz UVLIDICYSZIGJB-LSDHHAIUSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CC[N@@H+](C)C2CCCC2)CC(C)(C)C1 ZINC000109964446 1118626729 /nfs/dbraw/zinc/62/67/29/1118626729.db2.gz UVLIDICYSZIGJB-LSDHHAIUSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1sccc1C[N@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554069 1128795094 /nfs/dbraw/zinc/79/50/94/1128795094.db2.gz BPAKQQNTRZWPSL-WKILWMFISA-N 2 1 280.481 3.784 20 0 CHADMP c1c2ccccc2oc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656786240 1118656745 /nfs/dbraw/zinc/65/67/45/1118656745.db2.gz QOWDKQYKLZOOKF-KRWDZBQOSA-N 2 1 298.430 3.644 20 0 CHADMP c1ccc([C@H]2C[C@@H]([NH2+][C@@H]3CCc4ccccc43)CC[NH2+]2)cc1 ZINC000656791011 1118658312 /nfs/dbraw/zinc/65/83/12/1118658312.db2.gz PQHVBZCXLMQLOD-DFQSSKMNSA-N 2 1 292.426 3.757 20 0 CHADMP C[C@H](C1CC1)[NH+](C)CCCCC[N@H+](C)[C@@H](C)C1CC1 ZINC000157644174 1118742121 /nfs/dbraw/zinc/74/21/21/1118742121.db2.gz ZKXORQYHXMEQGT-GASCZTMLSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@H](C1CC1)[N@@H+](C)CCCCC[NH+](C)[C@@H](C)C1CC1 ZINC000157644174 1118742125 /nfs/dbraw/zinc/74/21/25/1118742125.db2.gz ZKXORQYHXMEQGT-GASCZTMLSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@H](C1CC1)[N@H+](C)CCCCC[NH+](C)[C@@H](C)C1CC1 ZINC000157644174 1118742128 /nfs/dbraw/zinc/74/21/28/1118742128.db2.gz ZKXORQYHXMEQGT-GASCZTMLSA-N 2 1 266.473 3.617 20 0 CHADMP CCSc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC)C2)c1 ZINC000349564328 1118755164 /nfs/dbraw/zinc/75/51/64/1118755164.db2.gz KGKIDOXTFBSPLN-INIZCTEOSA-N 2 1 292.492 3.620 20 0 CHADMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1C ZINC000535815205 1118889362 /nfs/dbraw/zinc/88/93/62/1118889362.db2.gz BDYBJRBRDRDVLE-UHFFFAOYSA-N 2 1 288.479 3.856 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(C)sc2C)C1 ZINC000151100276 1118921318 /nfs/dbraw/zinc/92/13/18/1118921318.db2.gz IOVGXPJSGSFZPD-ZFWWWQNUSA-N 2 1 280.481 3.747 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000511009725 1118943100 /nfs/dbraw/zinc/94/31/00/1118943100.db2.gz CMCAPVREWLBVPP-RTBURBONSA-N 2 1 297.446 3.816 20 0 CHADMP CCC(CC)C[NH2+]C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000103980381 1118965820 /nfs/dbraw/zinc/96/58/20/1118965820.db2.gz FTXWGLWAGOZIKS-GOEBONIOSA-N 2 1 254.462 3.523 20 0 CHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1C=CCCCCC1 ZINC001167509072 1118969834 /nfs/dbraw/zinc/96/98/34/1118969834.db2.gz KQHACZFUQXLOOM-IAGOWNOFSA-N 2 1 264.457 3.682 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@@H]1C=CCCCCC1 ZINC001167509072 1118969837 /nfs/dbraw/zinc/96/98/37/1118969837.db2.gz KQHACZFUQXLOOM-IAGOWNOFSA-N 2 1 264.457 3.682 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@@H]1C=CCCCCC1 ZINC001167509072 1118969839 /nfs/dbraw/zinc/96/98/39/1118969839.db2.gz KQHACZFUQXLOOM-IAGOWNOFSA-N 2 1 264.457 3.682 20 0 CHADMP CC[C@H]1CCC[C@H]([NH2+]CCCn2cc[nH+]c2C)CC1 ZINC000657317589 1118997340 /nfs/dbraw/zinc/99/73/40/1118997340.db2.gz CRAQBBQJZMNKRM-HOTGVXAUSA-N 2 1 263.429 3.530 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCC(C(F)F)CC1 ZINC000582205103 1119034527 /nfs/dbraw/zinc/03/45/27/1119034527.db2.gz YFLPAEBXSROPAA-HSBZDZAISA-N 2 1 276.415 3.520 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCC(C(F)F)CC1 ZINC000582205103 1119034530 /nfs/dbraw/zinc/03/45/30/1119034530.db2.gz YFLPAEBXSROPAA-HSBZDZAISA-N 2 1 276.415 3.520 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@H+](C)CCCc1c[nH+]cn1C ZINC000582309065 1119049029 /nfs/dbraw/zinc/04/90/29/1119049029.db2.gz LDGAVAMRCSIXMR-CYBMUJFWSA-N 2 1 291.826 3.699 20 0 CHADMP C[C@H](c1ccccc1Cl)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000582309065 1119049034 /nfs/dbraw/zinc/04/90/34/1119049034.db2.gz LDGAVAMRCSIXMR-CYBMUJFWSA-N 2 1 291.826 3.699 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCC1(C)C ZINC000342622120 1119102524 /nfs/dbraw/zinc/10/25/24/1119102524.db2.gz CPJBBYRCZDERNF-KRWDZBQOSA-N 2 1 274.452 3.805 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000342859378 1119212338 /nfs/dbraw/zinc/21/23/38/1119212338.db2.gz JJOFMUWTTFLJTO-APWZRJJASA-N 2 1 297.446 3.535 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000342859378 1119212341 /nfs/dbraw/zinc/21/23/41/1119212341.db2.gz JJOFMUWTTFLJTO-APWZRJJASA-N 2 1 297.446 3.535 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1csc2ccccc12 ZINC000342861497 1119214379 /nfs/dbraw/zinc/21/43/79/1119214379.db2.gz XNCNRELAKQIWQN-UHFFFAOYSA-N 2 1 299.443 3.928 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1csc2ccccc12 ZINC000342861497 1119214383 /nfs/dbraw/zinc/21/43/83/1119214383.db2.gz XNCNRELAKQIWQN-UHFFFAOYSA-N 2 1 299.443 3.928 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC000342860740 1119216373 /nfs/dbraw/zinc/21/63/73/1119216373.db2.gz UEOIYLPTQOCYCO-INIZCTEOSA-N 2 1 285.435 3.891 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC000342860740 1119216374 /nfs/dbraw/zinc/21/63/74/1119216374.db2.gz UEOIYLPTQOCYCO-INIZCTEOSA-N 2 1 285.435 3.891 20 0 CHADMP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000119702598 1119220381 /nfs/dbraw/zinc/22/03/81/1119220381.db2.gz TUSLHFRYFOBKEU-FXAWDEMLSA-N 2 1 298.474 3.614 20 0 CHADMP FC(F)c1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000131976585 1119291627 /nfs/dbraw/zinc/29/16/27/1119291627.db2.gz WEXHTMTUIAQPSN-HOTGVXAUSA-N 2 1 294.389 3.588 20 0 CHADMP FC(F)c1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000131976585 1119291628 /nfs/dbraw/zinc/29/16/28/1119291628.db2.gz WEXHTMTUIAQPSN-HOTGVXAUSA-N 2 1 294.389 3.588 20 0 CHADMP CC(C)(C)[N@@H+](Cc1ccccc1)C[C@H]([NH3+])Cc1ccccc1 ZINC001204604712 1119309868 /nfs/dbraw/zinc/30/98/68/1119309868.db2.gz WCVWKRDHHCDMMZ-LJQANCHMSA-N 2 1 296.458 3.857 20 0 CHADMP CC(C)(C)[N@H+](Cc1ccccc1)C[C@H]([NH3+])Cc1ccccc1 ZINC001204604712 1119309871 /nfs/dbraw/zinc/30/98/71/1119309871.db2.gz WCVWKRDHHCDMMZ-LJQANCHMSA-N 2 1 296.458 3.857 20 0 CHADMP Clc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000343112355 1119315074 /nfs/dbraw/zinc/31/50/74/1119315074.db2.gz XWMHPVNOVXCODL-KRWDZBQOSA-N 2 1 290.838 3.544 20 0 CHADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000349855324 1119320091 /nfs/dbraw/zinc/32/00/91/1119320091.db2.gz XLEOMOLKXVLSKQ-NUJGCVRESA-N 2 1 286.463 3.753 20 0 CHADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000349855324 1119320093 /nfs/dbraw/zinc/32/00/93/1119320093.db2.gz XLEOMOLKXVLSKQ-NUJGCVRESA-N 2 1 286.463 3.753 20 0 CHADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCC(C(C)(C)C)CC2)C1 ZINC000044535182 1119343147 /nfs/dbraw/zinc/34/31/47/1119343147.db2.gz MEADABIQHUIGMT-QQFBHYJXSA-N 2 1 266.473 3.523 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000343191865 1119345015 /nfs/dbraw/zinc/34/50/15/1119345015.db2.gz IVYYZUMZJZXQLL-DLBZAZTESA-N 2 1 299.462 3.686 20 0 CHADMP CC[C@H]1CCCC[C@@H]1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000628272943 1128840426 /nfs/dbraw/zinc/84/04/26/1128840426.db2.gz CTRDCPJREGYRCV-IIQAOJFUSA-N 2 1 278.484 3.760 20 0 CHADMP CC[C@H]1CCCC[C@@H]1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000628272943 1128840430 /nfs/dbraw/zinc/84/04/30/1128840430.db2.gz CTRDCPJREGYRCV-IIQAOJFUSA-N 2 1 278.484 3.760 20 0 CHADMP CC[C@H]1CCCC[C@@H]1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000628272943 1128840435 /nfs/dbraw/zinc/84/04/35/1128840435.db2.gz CTRDCPJREGYRCV-IIQAOJFUSA-N 2 1 278.484 3.760 20 0 CHADMP CC1(C)C[C@]1(C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657761862 1119361821 /nfs/dbraw/zinc/36/18/21/1119361821.db2.gz TXKANVGTMNRTQM-MJGOQNOKSA-N 2 1 298.474 3.962 20 0 CHADMP CC1(C)C[C@]1(C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657761862 1119361823 /nfs/dbraw/zinc/36/18/23/1119361823.db2.gz TXKANVGTMNRTQM-MJGOQNOKSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@H](CC1CCC1)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000635002099 1119366980 /nfs/dbraw/zinc/36/69/80/1119366980.db2.gz LMGXXCZVRYQBJT-ZTFGCOKTSA-N 2 1 272.436 3.648 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000564415456 1119373407 /nfs/dbraw/zinc/37/34/07/1119373407.db2.gz PXXXAEIBSFITOR-MRXNPFEDSA-N 2 1 278.484 3.811 20 0 CHADMP CCCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000151041177 1119375652 /nfs/dbraw/zinc/37/56/52/1119375652.db2.gz GSPOKNIMLCFDRA-ZDUSSCGKSA-N 2 1 257.381 3.631 20 0 CHADMP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@H]1CC[N@@H+](CCC)C1 ZINC000151123947 1119404648 /nfs/dbraw/zinc/40/46/48/1119404648.db2.gz PVDFKXUILUNPKZ-HRCADAONSA-N 2 1 254.462 3.523 20 0 CHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc3ccccc3o2)C1 ZINC000151138764 1119410108 /nfs/dbraw/zinc/41/01/08/1119410108.db2.gz NIIXPEJQUXOAKF-GJZGRUSLSA-N 2 1 286.419 3.815 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc3ccccc3o2)C1 ZINC000151138764 1119410109 /nfs/dbraw/zinc/41/01/09/1119410109.db2.gz NIIXPEJQUXOAKF-GJZGRUSLSA-N 2 1 286.419 3.815 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccccc2C)C1 ZINC000151337135 1119451631 /nfs/dbraw/zinc/45/16/31/1119451631.db2.gz LPDIDHCWKPFNJB-DLBZAZTESA-N 2 1 274.452 3.720 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC000151337135 1119451632 /nfs/dbraw/zinc/45/16/32/1119451632.db2.gz LPDIDHCWKPFNJB-DLBZAZTESA-N 2 1 274.452 3.720 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC000151337135 1119451633 /nfs/dbraw/zinc/45/16/33/1119451633.db2.gz LPDIDHCWKPFNJB-DLBZAZTESA-N 2 1 274.452 3.720 20 0 CHADMP Cn1c[nH+]cc1CC[NH2+]C(C)(C)c1ccc2ccccc2c1 ZINC000626115793 1119460722 /nfs/dbraw/zinc/46/07/22/1119460722.db2.gz FJYJNFCEFYLYGQ-UHFFFAOYSA-N 2 1 293.414 3.641 20 0 CHADMP CC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1F ZINC000168749428 1119474722 /nfs/dbraw/zinc/47/47/22/1119474722.db2.gz IPYVFJJLIQRZIT-QGZVFWFLSA-N 2 1 278.415 3.742 20 0 CHADMP CC[C@@H]1c2ccccc2CC[N@H+]1CCCn1cc[nH+]c1C ZINC000127359630 1119486847 /nfs/dbraw/zinc/48/68/47/1119486847.db2.gz VZYUTYKVPNDDCC-GOSISDBHSA-N 2 1 283.419 3.591 20 0 CHADMP CC[C@@H]1c2ccccc2CC[N@@H+]1CCCn1cc[nH+]c1C ZINC000127359630 1119486849 /nfs/dbraw/zinc/48/68/49/1119486849.db2.gz VZYUTYKVPNDDCC-GOSISDBHSA-N 2 1 283.419 3.591 20 0 CHADMP CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1F ZINC000169129474 1119495858 /nfs/dbraw/zinc/49/58/58/1119495858.db2.gz GYAWQMQCOZXWLP-MUSFGAPCSA-N 2 1 290.426 3.882 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C(C)(C)C(F)F ZINC000657838800 1119502876 /nfs/dbraw/zinc/50/28/76/1119502876.db2.gz YFOGVKJJBSOBIL-ZIAGYGMSSA-N 2 1 290.442 3.768 20 0 CHADMP c1ccc([C@@H]2C[C@@H]2C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563893 1119571528 /nfs/dbraw/zinc/57/15/28/1119571528.db2.gz VZXIKUFMBLGGRH-AABGKKOBSA-N 2 1 298.474 3.740 20 0 CHADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCC(OCC)CC1 ZINC000657872895 1119585245 /nfs/dbraw/zinc/58/52/45/1119585245.db2.gz QBJJWUMOYKYYBN-ADKAHSJRSA-N 2 1 296.499 3.578 20 0 CHADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+]C1CCC(OCC)CC1 ZINC000657872895 1119585246 /nfs/dbraw/zinc/58/52/46/1119585246.db2.gz QBJJWUMOYKYYBN-ADKAHSJRSA-N 2 1 296.499 3.578 20 0 CHADMP C[NH+]1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000202214103 1119586891 /nfs/dbraw/zinc/58/68/91/1119586891.db2.gz WHWOHVXDUOHCBB-UHFFFAOYSA-N 2 1 294.442 3.783 20 0 CHADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCSCC1 ZINC000657874083 1119588443 /nfs/dbraw/zinc/58/84/43/1119588443.db2.gz YAUIBBQOKQCRKZ-HZPDHXFCSA-N 2 1 284.513 3.516 20 0 CHADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCSCC1 ZINC000657874083 1119588445 /nfs/dbraw/zinc/58/84/45/1119588445.db2.gz YAUIBBQOKQCRKZ-HZPDHXFCSA-N 2 1 284.513 3.516 20 0 CHADMP CC(C)Sc1ccc([C@@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000151937526 1119605552 /nfs/dbraw/zinc/60/55/52/1119605552.db2.gz YPPUPFBZNMYSCT-CQSZACIVSA-N 2 1 280.481 3.789 20 0 CHADMP Cc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1Cl ZINC000685470848 1119612740 /nfs/dbraw/zinc/61/27/40/1119612740.db2.gz VZZRFNUCDBSBAW-DOTOQJQBSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1Cl ZINC000685470848 1119612741 /nfs/dbraw/zinc/61/27/41/1119612741.db2.gz VZZRFNUCDBSBAW-DOTOQJQBSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1Cl ZINC000685470848 1119612742 /nfs/dbraw/zinc/61/27/42/1119612742.db2.gz VZZRFNUCDBSBAW-DOTOQJQBSA-N 2 1 292.854 3.565 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1Cl ZINC000685470848 1119612744 /nfs/dbraw/zinc/61/27/44/1119612744.db2.gz VZZRFNUCDBSBAW-DOTOQJQBSA-N 2 1 292.854 3.565 20 0 CHADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000708569538 1119616797 /nfs/dbraw/zinc/61/67/97/1119616797.db2.gz ZFVFYOQEVPWYDA-ZAWLATJESA-N 2 1 286.463 3.533 20 0 CHADMP C[C@@H](CC[NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000628425641 1128859191 /nfs/dbraw/zinc/85/91/91/1128859191.db2.gz QUNOLUZZODMMGD-IRXDYDNUSA-N 2 1 274.452 3.502 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CCSCC1 ZINC000658227954 1119706239 /nfs/dbraw/zinc/70/62/39/1119706239.db2.gz FCNXLFAUIPKWOY-GOEBONIOSA-N 2 1 296.524 3.515 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)C1CCSCC1 ZINC000658227954 1119706240 /nfs/dbraw/zinc/70/62/40/1119706240.db2.gz FCNXLFAUIPKWOY-GOEBONIOSA-N 2 1 296.524 3.515 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C(F)F ZINC000658229239 1119706665 /nfs/dbraw/zinc/70/66/65/1119706665.db2.gz BBAUSGXFSWGZKW-CHWSQXEVSA-N 2 1 288.426 3.663 20 0 CHADMP C[C@H]([NH2+][C@]1(C)CC1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658306688 1119717452 /nfs/dbraw/zinc/71/74/52/1119717452.db2.gz YVWAAVMQQUIYSS-KVSKMBFKSA-N 2 1 286.463 3.675 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]C2CC(C)(C)C2)C[C@H]1c1ccccc1 ZINC000658347131 1119728987 /nfs/dbraw/zinc/72/89/87/1119728987.db2.gz ZOUDGZSDEAUCDC-WBVHZDCISA-N 2 1 272.436 3.600 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]C2CC(C)(C)C2)C[C@H]1c1ccccc1 ZINC000658347131 1119728990 /nfs/dbraw/zinc/72/89/90/1119728990.db2.gz ZOUDGZSDEAUCDC-WBVHZDCISA-N 2 1 272.436 3.600 20 0 CHADMP Cc1oc(C(C)(C)C)cc1C[NH2+]C1CCN(C2CC2)CC1 ZINC000892492372 1119781909 /nfs/dbraw/zinc/78/19/09/1119781909.db2.gz OPBTXVUSVZRUCO-UHFFFAOYSA-N 2 1 290.451 3.602 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CCSc2ccccc2)C[C@@H]1C ZINC000531140090 1119793404 /nfs/dbraw/zinc/79/34/04/1119793404.db2.gz LABFIWVCSVDDGO-HOTGVXAUSA-N 2 1 292.492 3.583 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CCSc2ccccc2)C[C@@H]1C ZINC000531140090 1119793407 /nfs/dbraw/zinc/79/34/07/1119793407.db2.gz LABFIWVCSVDDGO-HOTGVXAUSA-N 2 1 292.492 3.583 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCSc2ccccc2)C[C@@H]1C ZINC000531140090 1119793408 /nfs/dbraw/zinc/79/34/08/1119793408.db2.gz LABFIWVCSVDDGO-HOTGVXAUSA-N 2 1 292.492 3.583 20 0 CHADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CC[C@@H]1CCCC[NH+]1C ZINC000472445067 1119805214 /nfs/dbraw/zinc/80/52/14/1119805214.db2.gz CYRILCAITBMOLK-NZSAHSFTSA-N 2 1 286.463 3.739 20 0 CHADMP C[C@@H]1[C@H](c2ccccc2)CC[NH+]1CC[C@@H]1CCCC[N@@H+]1C ZINC000472445067 1119805218 /nfs/dbraw/zinc/80/52/18/1119805218.db2.gz CYRILCAITBMOLK-NZSAHSFTSA-N 2 1 286.463 3.739 20 0 CHADMP C[C@@H]1[C@H](c2ccccc2)CC[NH+]1CC[C@@H]1CCCC[N@H+]1C ZINC000472445067 1119805225 /nfs/dbraw/zinc/80/52/25/1119805225.db2.gz CYRILCAITBMOLK-NZSAHSFTSA-N 2 1 286.463 3.739 20 0 CHADMP CC1CCC([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000570256165 1119814770 /nfs/dbraw/zinc/81/47/70/1119814770.db2.gz BJZGPCAXRFXTQL-UHFFFAOYSA-N 2 1 286.463 3.603 20 0 CHADMP CC1CCC([NH2+]CCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000570256165 1119814773 /nfs/dbraw/zinc/81/47/73/1119814773.db2.gz BJZGPCAXRFXTQL-UHFFFAOYSA-N 2 1 286.463 3.603 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000309761420 1119835323 /nfs/dbraw/zinc/83/53/23/1119835323.db2.gz YDSGLAYKFNZYST-OALUTQOASA-N 2 1 288.479 3.923 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000414179658 1119928631 /nfs/dbraw/zinc/92/86/31/1119928631.db2.gz LLDVZNZBTBJIQU-DOTOQJQBSA-N 2 1 274.452 3.632 20 0 CHADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(C)c1 ZINC000414202503 1119936853 /nfs/dbraw/zinc/93/68/53/1119936853.db2.gz YWUCQRDQTBPMFG-FUHWJXTLSA-N 2 1 274.452 3.768 20 0 CHADMP [NH3+]CCC[N@H+](Cc1ccc2cnccc2c1)CC1CCCC1 ZINC000647541392 1120002096 /nfs/dbraw/zinc/00/20/96/1120002096.db2.gz LEUSTMGBSQUFOX-UHFFFAOYSA-N 2 1 297.446 3.576 20 0 CHADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000187399430 1120020140 /nfs/dbraw/zinc/02/01/40/1120020140.db2.gz FTHBDFYHEFDENN-HUUCEWRRSA-N 2 1 294.870 3.717 20 0 CHADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000187399430 1120020143 /nfs/dbraw/zinc/02/01/43/1120020143.db2.gz FTHBDFYHEFDENN-HUUCEWRRSA-N 2 1 294.870 3.717 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000187399430 1120020148 /nfs/dbraw/zinc/02/01/48/1120020148.db2.gz FTHBDFYHEFDENN-HUUCEWRRSA-N 2 1 294.870 3.717 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000187399430 1120020151 /nfs/dbraw/zinc/02/01/51/1120020151.db2.gz FTHBDFYHEFDENN-HUUCEWRRSA-N 2 1 294.870 3.717 20 0 CHADMP c1ccc2c(c1)-c1ccccc1C2[NH2+]CCC[NH+]1CCCC1 ZINC000177270641 1120030205 /nfs/dbraw/zinc/03/02/05/1120030205.db2.gz OPCKOAYDRRYQLQ-UHFFFAOYSA-N 2 1 292.426 3.832 20 0 CHADMP CC(C)[NH+](CC[NH2+][C@H]1CCC[C@@H](C)CC1)C(C)C ZINC000086878138 1120034432 /nfs/dbraw/zinc/03/44/32/1120034432.db2.gz RBWCEZRPQBSTLW-CVEARBPZSA-N 2 1 254.462 3.664 20 0 CHADMP CCSc1cccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000623657551 1120066156 /nfs/dbraw/zinc/06/61/56/1120066156.db2.gz UHCJPNQQDZGUAI-INIZCTEOSA-N 2 1 292.492 3.620 20 0 CHADMP C[C@@H](Cc1cccc(F)c1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000252711289 1128896331 /nfs/dbraw/zinc/89/63/31/1128896331.db2.gz JDTUUQPCXMYRMN-JKSUJKDBSA-N 2 1 292.442 3.611 20 0 CHADMP C[C@@H](C[NH2+]C(c1ccccc1)c1ccccc1)C[NH+](C)C ZINC000314324570 1120185286 /nfs/dbraw/zinc/18/52/86/1120185286.db2.gz NNAPMPMAMXLHAW-INIZCTEOSA-N 2 1 282.431 3.563 20 0 CHADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000311439694 1120323327 /nfs/dbraw/zinc/32/33/27/1120323327.db2.gz OZYOUBWKWJQTBX-KGLIPLIRSA-N 2 1 282.859 3.589 20 0 CHADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000311439694 1120323331 /nfs/dbraw/zinc/32/33/31/1120323331.db2.gz OZYOUBWKWJQTBX-KGLIPLIRSA-N 2 1 282.859 3.589 20 0 CHADMP CC(C)C[C@H](C)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309852739 1120368472 /nfs/dbraw/zinc/36/84/72/1120368472.db2.gz BFVDHUHPAAIJEN-HKUYNNGSSA-N 2 1 288.479 3.923 20 0 CHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCC23CCCCC3)C1 ZINC000313042171 1120382171 /nfs/dbraw/zinc/38/21/71/1120382171.db2.gz QNCIMRXVMPZCBT-DLBZAZTESA-N 2 1 278.484 3.809 20 0 CHADMP CCC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)C1CCCC1 ZINC000313413511 1120396453 /nfs/dbraw/zinc/39/64/53/1120396453.db2.gz QQHKJHNNJSATNL-DOTOQJQBSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000629522452 1128913748 /nfs/dbraw/zinc/91/37/48/1128913748.db2.gz AHFFKRGFTGTSHM-FZMZJTMJSA-N 2 1 292.810 3.564 20 0 CHADMP CCc1nc(C(C)C)ccc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000629514633 1128914135 /nfs/dbraw/zinc/91/41/35/1128914135.db2.gz SEJQLOQUIJDVKF-MRXNPFEDSA-N 2 1 291.483 3.573 20 0 CHADMP CCc1nc(C(C)C)ccc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000629514633 1128914140 /nfs/dbraw/zinc/91/41/40/1128914140.db2.gz SEJQLOQUIJDVKF-MRXNPFEDSA-N 2 1 291.483 3.573 20 0 CHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC(C)(C)CC)[C@@H](C)C1 ZINC000682536433 1120418252 /nfs/dbraw/zinc/41/82/52/1120418252.db2.gz SSZKUJYGUNLSBV-IRXDYDNUSA-N 2 1 298.515 3.539 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417325576 1120427545 /nfs/dbraw/zinc/42/75/45/1120427545.db2.gz FIOFQRFNVBFUQC-APIJFGDWSA-N 2 1 280.481 3.560 20 0 CHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417331949 1120428677 /nfs/dbraw/zinc/42/86/77/1120428677.db2.gz WRMYNXQRKAJJHA-QLFBSQMISA-N 2 1 280.481 3.560 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C2CC2)cc1 ZINC000417355302 1120434788 /nfs/dbraw/zinc/43/47/88/1120434788.db2.gz NJCHHVWKZAEOKE-KYNGSXCRSA-N 2 1 284.447 3.841 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000660204940 1120440118 /nfs/dbraw/zinc/44/01/18/1120440118.db2.gz REGSLENLJBHRSX-LFVTVUPYSA-N 2 1 295.430 3.877 20 0 CHADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000019905677 1120490337 /nfs/dbraw/zinc/49/03/37/1120490337.db2.gz JYRCWGAXXPQGOE-UHFFFAOYSA-N 2 1 289.250 3.671 20 0 CHADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000657614530 1120501249 /nfs/dbraw/zinc/50/12/49/1120501249.db2.gz DQOJPGLBBWUUCZ-VKJFTORMSA-N 2 1 290.426 3.739 20 0 CHADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000657614530 1120501252 /nfs/dbraw/zinc/50/12/52/1120501252.db2.gz DQOJPGLBBWUUCZ-VKJFTORMSA-N 2 1 290.426 3.739 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)CCSC2CCCCC2)CC1 ZINC000500068616 1120502837 /nfs/dbraw/zinc/50/28/37/1120502837.db2.gz BZEQGUGXBSDFSX-UHFFFAOYSA-N 2 1 298.540 3.859 20 0 CHADMP CCC[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000500073865 1120503708 /nfs/dbraw/zinc/50/37/08/1120503708.db2.gz JBGPKGFWQSQUMT-BBWFWOEESA-N 2 1 266.473 3.761 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000019913019 1120548593 /nfs/dbraw/zinc/54/85/93/1120548593.db2.gz JHXWZMUYSKAAJG-SJORKVTESA-N 2 1 274.452 3.910 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000499910640 1120549827 /nfs/dbraw/zinc/54/98/27/1120549827.db2.gz WQBGSPXGATWHLG-CQSZACIVSA-N 2 1 280.843 3.819 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000499910640 1120549829 /nfs/dbraw/zinc/54/98/29/1120549829.db2.gz WQBGSPXGATWHLG-CQSZACIVSA-N 2 1 280.843 3.819 20 0 CHADMP CC(C)c1cccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000660415714 1120591475 /nfs/dbraw/zinc/59/14/75/1120591475.db2.gz IJYFADPUCDKUNH-GOSISDBHSA-N 2 1 274.452 3.726 20 0 CHADMP CC[C@H](c1ccc(Cl)cc1)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000428997021 1120605827 /nfs/dbraw/zinc/60/58/27/1120605827.db2.gz DYIBECZQAMXDOK-SJORKVTESA-N 2 1 292.854 3.819 20 0 CHADMP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000428997021 1120605832 /nfs/dbraw/zinc/60/58/32/1120605832.db2.gz DYIBECZQAMXDOK-SJORKVTESA-N 2 1 292.854 3.819 20 0 CHADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000428997021 1120605834 /nfs/dbraw/zinc/60/58/34/1120605834.db2.gz DYIBECZQAMXDOK-SJORKVTESA-N 2 1 292.854 3.819 20 0 CHADMP CC[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000428997021 1120605837 /nfs/dbraw/zinc/60/58/37/1120605837.db2.gz DYIBECZQAMXDOK-SJORKVTESA-N 2 1 292.854 3.819 20 0 CHADMP CC[N@@H+](CCC1CC[NH+](CC[C@H](C)F)CC1)CC(C)C ZINC000509036353 1120608495 /nfs/dbraw/zinc/60/84/95/1120608495.db2.gz XHAZULYMDRZEEF-INIZCTEOSA-N 2 1 286.479 3.815 20 0 CHADMP C1CCC2(C1)CCC([NH2+][C@H]1CC[N@@H+]3CCCC[C@H]13)CC2 ZINC000253365772 1128928534 /nfs/dbraw/zinc/92/85/34/1128928534.db2.gz PNKAAPCYPRWYPK-DLBZAZTESA-N 2 1 276.468 3.706 20 0 CHADMP C1CCC2(C1)CCC([NH2+][C@H]1CC[N@H+]3CCCC[C@H]13)CC2 ZINC000253365772 1128928536 /nfs/dbraw/zinc/92/85/36/1128928536.db2.gz PNKAAPCYPRWYPK-DLBZAZTESA-N 2 1 276.468 3.706 20 0 CHADMP CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000429017188 1120617753 /nfs/dbraw/zinc/61/77/53/1120617753.db2.gz DUAZEDRIBQACLK-VQIMIIECSA-N 2 1 286.463 3.899 20 0 CHADMP CC(C)c1ccc([C@@H](C)[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000429017188 1120617755 /nfs/dbraw/zinc/61/77/55/1120617755.db2.gz DUAZEDRIBQACLK-VQIMIIECSA-N 2 1 286.463 3.899 20 0 CHADMP CC(C)c1ccc([C@@H](C)[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000429017188 1120617758 /nfs/dbraw/zinc/61/77/58/1120617758.db2.gz DUAZEDRIBQACLK-VQIMIIECSA-N 2 1 286.463 3.899 20 0 CHADMP Cc1ccc2ccccc2c1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429026733 1120621329 /nfs/dbraw/zinc/62/13/29/1120621329.db2.gz ZZTPZNDWONNKQE-FQEVSTJZSA-N 2 1 294.442 3.676 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429026733 1120621333 /nfs/dbraw/zinc/62/13/33/1120621333.db2.gz ZZTPZNDWONNKQE-FQEVSTJZSA-N 2 1 294.442 3.676 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429026733 1120621337 /nfs/dbraw/zinc/62/13/37/1120621337.db2.gz ZZTPZNDWONNKQE-FQEVSTJZSA-N 2 1 294.442 3.676 20 0 CHADMP CC[C@H](C[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+])CC(F)(F)F ZINC000925697425 1120622268 /nfs/dbraw/zinc/62/22/68/1120622268.db2.gz NLOWJSCFNRWVCD-MBNYWOFBSA-N 2 1 288.357 3.643 20 0 CHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CC=CC1 ZINC000660485885 1120638242 /nfs/dbraw/zinc/63/82/42/1120638242.db2.gz GIIYPIIQECNWLG-LJQANCHMSA-N 2 1 298.474 3.843 20 0 CHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CC=CC1 ZINC000660485885 1120638243 /nfs/dbraw/zinc/63/82/43/1120638243.db2.gz GIIYPIIQECNWLG-LJQANCHMSA-N 2 1 298.474 3.843 20 0 CHADMP CCCC[N@@H+](C)CCNc1cc[nH+]c2cc(F)ccc12 ZINC000500431641 1120654905 /nfs/dbraw/zinc/65/49/05/1120654905.db2.gz LFIVANVTHMGSST-UHFFFAOYSA-N 2 1 275.371 3.518 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660656451 1120674357 /nfs/dbraw/zinc/67/43/57/1120674357.db2.gz UJIAUNNJXSCGHK-YOEHRIQHSA-N 2 1 292.854 3.819 20 0 CHADMP CSc1ccccc1[C@@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000282467570 1120694938 /nfs/dbraw/zinc/69/49/38/1120694938.db2.gz GGCHSUJQMWGLSX-MJBXVCDLSA-N 2 1 278.465 3.542 20 0 CHADMP CSc1ccccc1[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000282467570 1120694941 /nfs/dbraw/zinc/69/49/41/1120694941.db2.gz GGCHSUJQMWGLSX-MJBXVCDLSA-N 2 1 278.465 3.542 20 0 CHADMP C[C@@H](CC[N@H+]1C[C@@H]2CCCC[C@@H]21)[NH+]1C[C@@H]2CCCC[C@@H]21 ZINC000660933784 1120705200 /nfs/dbraw/zinc/70/52/00/1120705200.db2.gz YIJZXIPBZJHRDV-ATIWLJMLSA-N 2 1 276.468 3.514 20 0 CHADMP C[C@@H](CC[NH+]1C[C@@H]2CCCC[C@@H]21)[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660933784 1120705205 /nfs/dbraw/zinc/70/52/05/1120705205.db2.gz YIJZXIPBZJHRDV-ATIWLJMLSA-N 2 1 276.468 3.514 20 0 CHADMP C[C@@H](CC[NH+]1C[C@@H]2CCCC[C@@H]21)[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660933784 1120705207 /nfs/dbraw/zinc/70/52/07/1120705207.db2.gz YIJZXIPBZJHRDV-ATIWLJMLSA-N 2 1 276.468 3.514 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccsc1)C(C)(C)C ZINC000661136848 1120726079 /nfs/dbraw/zinc/72/60/79/1120726079.db2.gz WZCXGGAWBUUQTA-UHFFFAOYSA-N 2 1 291.464 3.944 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccsc1)C(C)(C)C ZINC000661136848 1120726082 /nfs/dbraw/zinc/72/60/82/1120726082.db2.gz WZCXGGAWBUUQTA-UHFFFAOYSA-N 2 1 291.464 3.944 20 0 CHADMP Cc1cccc(C)c1[C@@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000661137957 1120726953 /nfs/dbraw/zinc/72/69/53/1120726953.db2.gz USMFRZQTZMPAMD-SFHVURJKSA-N 2 1 297.446 3.807 20 0 CHADMP Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000661137957 1120726955 /nfs/dbraw/zinc/72/69/55/1120726955.db2.gz USMFRZQTZMPAMD-SFHVURJKSA-N 2 1 297.446 3.807 20 0 CHADMP CC[N@@H+](CCC[NH2+]C1CCC(OC)CC1)C1CCCCC1 ZINC000651910490 1120775793 /nfs/dbraw/zinc/77/57/93/1120775793.db2.gz VVUFCQIUVNCJLK-UHFFFAOYSA-N 2 1 296.499 3.578 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+][C@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652173362 1120797600 /nfs/dbraw/zinc/79/76/00/1120797600.db2.gz GKDPPIPXMVAHMO-IBGZPJMESA-N 2 1 299.462 3.555 20 0 CHADMP CC(C)(C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)CC(F)F ZINC000925734732 1120841811 /nfs/dbraw/zinc/84/18/11/1120841811.db2.gz UIGCEXMVTMNCMT-CABCVRRESA-N 2 1 296.405 3.751 20 0 CHADMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1ccccc1Cl ZINC000050953069 1120882121 /nfs/dbraw/zinc/88/21/21/1120882121.db2.gz IHAHGUSJYZNMAW-UHFFFAOYSA-N 2 1 280.843 3.552 20 0 CHADMP C[C@@H](c1cccs1)[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000050953578 1120882162 /nfs/dbraw/zinc/88/21/62/1120882162.db2.gz XADRLLLEXJUMEH-ZDUSSCGKSA-N 2 1 266.454 3.521 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1CC1CCC1 ZINC000662158784 1120888992 /nfs/dbraw/zinc/88/89/92/1120888992.db2.gz XFKLCXVTTPJWBE-QGZVFWFLSA-N 2 1 275.440 3.626 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC000662158784 1120888997 /nfs/dbraw/zinc/88/89/97/1120888997.db2.gz XFKLCXVTTPJWBE-QGZVFWFLSA-N 2 1 275.440 3.626 20 0 CHADMP Cc1ccc([C@H](C)C[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000628304866 1120911102 /nfs/dbraw/zinc/91/11/02/1120911102.db2.gz YPBGLJQNFQSIRL-MRXNPFEDSA-N 2 1 274.452 3.563 20 0 CHADMP c1cc([C@H]2CCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)cs1 ZINC000662250681 1120912069 /nfs/dbraw/zinc/91/20/69/1120912069.db2.gz LTCICOSAWHUZPE-GOSISDBHSA-N 2 1 298.455 3.731 20 0 CHADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000662273712 1120916690 /nfs/dbraw/zinc/91/66/90/1120916690.db2.gz YUSKYOVZMAFJFS-RWQQGDIJSA-N 2 1 286.463 3.630 20 0 CHADMP CC1([NH+]2CCCC2)CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC000630073844 1128949658 /nfs/dbraw/zinc/94/96/58/1128949658.db2.gz XIQOYTBJVWOTSI-UHFFFAOYSA-N 2 1 298.474 3.626 20 0 CHADMP CC12CC(C1)C[N@H+]2Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000662385716 1120932493 /nfs/dbraw/zinc/93/24/93/1120932493.db2.gz CDLZXEYZBRMYQO-UHFFFAOYSA-N 2 1 284.447 3.657 20 0 CHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)C2(C)CC2)CC1 ZINC000162156934 1120936971 /nfs/dbraw/zinc/93/69/71/1120936971.db2.gz FCZVSCFLSSVPJO-MRXNPFEDSA-N 2 1 286.463 3.738 20 0 CHADMP Cc1ccc([C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C2CCC2)cc1 ZINC000186993912 1120943376 /nfs/dbraw/zinc/94/33/76/1120943376.db2.gz RPBNJJZOIRTMNW-OXJNMPFZSA-N 2 1 298.474 3.910 20 0 CHADMP Cc1ccc([C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C2CCC2)cc1 ZINC000186993944 1120943887 /nfs/dbraw/zinc/94/38/87/1120943887.db2.gz RPBNJJZOIRTMNW-OXQOHEQNSA-N 2 1 298.474 3.910 20 0 CHADMP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cccc(O)c1 ZINC000020827456 1120951570 /nfs/dbraw/zinc/95/15/70/1120951570.db2.gz HJGBOIUWQGMNPL-MRXNPFEDSA-N 2 1 298.430 3.565 20 0 CHADMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cccc(O)c1 ZINC000020827456 1120951574 /nfs/dbraw/zinc/95/15/74/1120951574.db2.gz HJGBOIUWQGMNPL-MRXNPFEDSA-N 2 1 298.430 3.565 20 0 CHADMP C([NH2+][C@H](C1CC1)C1CCCC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663464997 1120979891 /nfs/dbraw/zinc/97/98/91/1120979891.db2.gz HWILUSWABPLYKU-LPHOPBHVSA-N 2 1 290.495 3.667 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)oc1C ZINC000663463716 1120980073 /nfs/dbraw/zinc/98/00/73/1120980073.db2.gz BEQDXOZVALQXPB-PBHICJAKSA-N 2 1 290.451 3.669 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)oc1C ZINC000663463716 1120980079 /nfs/dbraw/zinc/98/00/79/1120980079.db2.gz BEQDXOZVALQXPB-PBHICJAKSA-N 2 1 290.451 3.669 20 0 CHADMP c1ccc([C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C2CC2)cc1 ZINC000663467686 1120983951 /nfs/dbraw/zinc/98/39/51/1120983951.db2.gz HCMWFCXJRLIGPC-YLJYHZDGSA-N 2 1 298.474 3.849 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469597 1120984856 /nfs/dbraw/zinc/98/48/56/1120984856.db2.gz QWWQMVKWKKGAAA-OKZBNKHCSA-N 2 1 278.484 3.523 20 0 CHADMP CCC[C@H]([NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)c1ccccn1 ZINC000643453411 1120993789 /nfs/dbraw/zinc/99/37/89/1120993789.db2.gz VRLKWNFZBFUEBJ-BQFCYCMXSA-N 2 1 289.467 3.823 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1Cc2cccc(F)c2C1 ZINC001167824685 1120997978 /nfs/dbraw/zinc/99/79/78/1120997978.db2.gz FGNHRWNZKBJDRH-CQSZACIVSA-N 2 1 278.415 3.652 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1cccc(OC)c1 ZINC001167826287 1121000949 /nfs/dbraw/zinc/00/09/49/1121000949.db2.gz OKVJCHRIMJMWMB-INIZCTEOSA-N 2 1 292.467 3.638 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)CCc1cccs1 ZINC001167826587 1121001741 /nfs/dbraw/zinc/00/17/41/1121001741.db2.gz QXQXWOJMKSSKRQ-HNNXBMFYSA-N 2 1 282.497 3.733 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H]1c1ccccc1 ZINC001167833639 1121016909 /nfs/dbraw/zinc/01/69/09/1121016909.db2.gz CZGFTLQEFMBSFP-WMZOPIPTSA-N 2 1 274.452 3.944 20 0 CHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2cc(C)ccc2C1 ZINC001167835942 1121036937 /nfs/dbraw/zinc/03/69/37/1121036937.db2.gz WFEWYULOJMFAGH-QGZVFWFLSA-N 2 1 288.479 3.864 20 0 CHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001167839489 1121042445 /nfs/dbraw/zinc/04/24/45/1121042445.db2.gz YHLKKNYEUBTEKV-BBWFWOEESA-N 2 1 266.473 3.761 20 0 CHADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432409936 1121054406 /nfs/dbraw/zinc/05/44/06/1121054406.db2.gz KJHCWCYJKBQALH-KSZLIROESA-N 2 1 298.515 3.538 20 0 CHADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432409936 1121054418 /nfs/dbraw/zinc/05/44/18/1121054418.db2.gz KJHCWCYJKBQALH-KSZLIROESA-N 2 1 298.515 3.538 20 0 CHADMP C([NH2+][C@@H]1CCCSCC1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000658005081 1121095636 /nfs/dbraw/zinc/09/56/36/1121095636.db2.gz ZSYXHFPBUTXCEJ-NVXWUHKLSA-N 2 1 296.524 3.659 20 0 CHADMP C([NH2+][C@@H]1CCCSCC1)[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000658005087 1121096314 /nfs/dbraw/zinc/09/63/14/1121096314.db2.gz ZSYXHFPBUTXCEJ-WBVHZDCISA-N 2 1 296.524 3.659 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C(C)(C)C)s2)CC[N@@H+]1C ZINC000093644573 1128967122 /nfs/dbraw/zinc/96/71/22/1128967122.db2.gz OHVYMXMMGIIOHI-KGLIPLIRSA-N 2 1 294.508 3.960 20 0 CHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C(C)(C)C)s2)CC[N@H+]1C ZINC000093644573 1128967124 /nfs/dbraw/zinc/96/71/24/1128967124.db2.gz OHVYMXMMGIIOHI-KGLIPLIRSA-N 2 1 294.508 3.960 20 0 CHADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C(C)(C)C)s2)CC[NH+]1C ZINC000093644573 1128967126 /nfs/dbraw/zinc/96/71/26/1128967126.db2.gz OHVYMXMMGIIOHI-KGLIPLIRSA-N 2 1 294.508 3.960 20 0 CHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C(C)(C)C)s2)CC[NH+]1C ZINC000093644573 1128967127 /nfs/dbraw/zinc/96/71/27/1128967127.db2.gz OHVYMXMMGIIOHI-KGLIPLIRSA-N 2 1 294.508 3.960 20 0 CHADMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000062018826 1121185452 /nfs/dbraw/zinc/18/54/52/1121185452.db2.gz QMXTWEVVTLFRSQ-ZDUSSCGKSA-N 2 1 280.843 3.723 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2CCC(c3ccccc3)CC2)CC[N@@H+]1C ZINC000122890420 1121245309 /nfs/dbraw/zinc/24/53/09/1121245309.db2.gz RXMMEDPWJXGRBT-GWFLUQINSA-N 2 1 286.463 3.785 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2CCC(c3ccccc3)CC2)CC[N@H+]1C ZINC000122890420 1121245315 /nfs/dbraw/zinc/24/53/15/1121245315.db2.gz RXMMEDPWJXGRBT-GWFLUQINSA-N 2 1 286.463 3.785 20 0 CHADMP CC(C)=CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512292219 1121248959 /nfs/dbraw/zinc/24/89/59/1121248959.db2.gz PBHIARFIUPLGOQ-IBGZPJMESA-N 2 1 284.447 3.551 20 0 CHADMP CC(C)=CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512292219 1121248962 /nfs/dbraw/zinc/24/89/62/1121248962.db2.gz PBHIARFIUPLGOQ-IBGZPJMESA-N 2 1 284.447 3.551 20 0 CHADMP CC(C)=CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512292219 1121248967 /nfs/dbraw/zinc/24/89/67/1121248967.db2.gz PBHIARFIUPLGOQ-IBGZPJMESA-N 2 1 284.447 3.551 20 0 CHADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000338032465 1121265952 /nfs/dbraw/zinc/26/59/52/1121265952.db2.gz VZKTYGIUFVNHDK-CVEARBPZSA-N 2 1 263.429 3.530 20 0 CHADMP CC(C)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512334058 1121270790 /nfs/dbraw/zinc/27/07/90/1121270790.db2.gz ZFEWIPSLUFAGKA-HRCADAONSA-N 2 1 266.473 3.664 20 0 CHADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246241543 1121286949 /nfs/dbraw/zinc/28/69/49/1121286949.db2.gz UWNPGIRYSBHHRT-WMZOPIPTSA-N 2 1 272.436 3.555 20 0 CHADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc(F)cc1 ZINC000675515104 1121321526 /nfs/dbraw/zinc/32/15/26/1121321526.db2.gz PQNHRLQIWSENAT-UHFFFAOYSA-N 2 1 278.415 3.524 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](C)C2CC2)cc1 ZINC000675778247 1121355607 /nfs/dbraw/zinc/35/56/07/1121355607.db2.gz ANOAIPVECYMNNA-UONOGXRCSA-N 2 1 283.419 3.877 20 0 CHADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000675779203 1121355724 /nfs/dbraw/zinc/35/57/24/1121355724.db2.gz RNFZWAMKDGQNJI-JTDSTZFVSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000675779203 1121355732 /nfs/dbraw/zinc/35/57/32/1121355732.db2.gz RNFZWAMKDGQNJI-JTDSTZFVSA-N 2 1 286.463 3.675 20 0 CHADMP Cc1cc2[nH]c(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)cc2c(C)c1 ZINC000432799977 1121361866 /nfs/dbraw/zinc/36/18/66/1121361866.db2.gz JHYITQQZANJFAP-KRWDZBQOSA-N 2 1 299.462 3.701 20 0 CHADMP Cc1cc2[nH]c(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)cc2c(C)c1 ZINC000432799977 1121361874 /nfs/dbraw/zinc/36/18/74/1121361874.db2.gz JHYITQQZANJFAP-KRWDZBQOSA-N 2 1 299.462 3.701 20 0 CHADMP CC(C)C[N@@H+](CC[C@@H]1C[C@H]1C1CC1)CC1CC[NH+](C)CC1 ZINC001175600866 1121382627 /nfs/dbraw/zinc/38/26/27/1121382627.db2.gz DPSSARRFPCOHET-MOPGFXCFSA-N 2 1 292.511 3.722 20 0 CHADMP Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000219380339 1121478822 /nfs/dbraw/zinc/47/88/22/1121478822.db2.gz SFQDQDBXCPIYFP-RDJZCZTQSA-N 2 1 292.854 3.612 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000219380339 1121478827 /nfs/dbraw/zinc/47/88/27/1121478827.db2.gz SFQDQDBXCPIYFP-RDJZCZTQSA-N 2 1 292.854 3.612 20 0 CHADMP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1CCC1 ZINC000411298671 1121559926 /nfs/dbraw/zinc/55/99/26/1121559926.db2.gz SXXVWMFMXTWYGA-UHFFFAOYSA-N 2 1 272.436 3.657 20 0 CHADMP Cc1[nH+]c2c(Nc3ccc(C[NH+](C)C)cc3)cccn2c1C ZINC001176290700 1121590926 /nfs/dbraw/zinc/59/09/26/1121590926.db2.gz OWWHLZZTOATLIE-UHFFFAOYSA-N 2 1 294.402 3.756 20 0 CHADMP Cc1ccccc1C[N@@H+]([C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001167918671 1121614834 /nfs/dbraw/zinc/61/48/34/1121614834.db2.gz LMLHCTKQEHYYFY-JSYLVRCQSA-N 2 1 298.474 3.865 20 0 CHADMP Cc1cc(C)cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000052004067 1121619918 /nfs/dbraw/zinc/61/99/18/1121619918.db2.gz XIOAWVBTIIMMJM-UHFFFAOYSA-N 2 1 286.463 3.754 20 0 CHADMP CCCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250796927 1121626143 /nfs/dbraw/zinc/62/61/43/1121626143.db2.gz BEJAXUIURSNJSB-XHSDSOJGSA-N 2 1 252.446 3.562 20 0 CHADMP C[N@H+]1C[C@]23C[NH+](CC4CCCCCC4)C[C@@]2(C1)CCCC3 ZINC001177009090 1121706222 /nfs/dbraw/zinc/70/62/22/1121706222.db2.gz XAZNPPCLGWLYHC-KDURUIRLSA-N 2 1 290.495 3.765 20 0 CHADMP C[NH+]1C[C@]23C[N@H+](CC4CCCCCC4)C[C@@]2(C1)CCCC3 ZINC001177009090 1121706226 /nfs/dbraw/zinc/70/62/26/1121706226.db2.gz XAZNPPCLGWLYHC-KDURUIRLSA-N 2 1 290.495 3.765 20 0 CHADMP C[NH+]1C[C@]23C[N@@H+](CC4CCCCCC4)C[C@@]2(C1)CCCC3 ZINC001177009090 1121706229 /nfs/dbraw/zinc/70/62/29/1121706229.db2.gz XAZNPPCLGWLYHC-KDURUIRLSA-N 2 1 290.495 3.765 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1(C)C ZINC001177148328 1121715419 /nfs/dbraw/zinc/71/54/19/1121715419.db2.gz DNBUBJUDRJWPJB-VQHPVUNQSA-N 2 1 278.484 3.808 20 0 CHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccoc2)cc1 ZINC000727465829 1121720715 /nfs/dbraw/zinc/72/07/15/1121720715.db2.gz LJIXAJDJSIEOMC-INIZCTEOSA-N 2 1 298.430 3.944 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@@](C)([NH3+])C1 ZINC001204939040 1121757795 /nfs/dbraw/zinc/75/77/95/1121757795.db2.gz PENPFZSAISFXLM-JKSUJKDBSA-N 2 1 252.446 3.572 20 0 CHADMP CC[N@@H+](CCC1CC[NH+](C/C=C/Cl)CC1)CC(C)C ZINC000773733391 1121773711 /nfs/dbraw/zinc/77/37/11/1121773711.db2.gz ZNQXIXGMKQROIF-WEVVVXLNSA-N 2 1 286.891 3.819 20 0 CHADMP CCSc1ccccc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206335549 1121796224 /nfs/dbraw/zinc/79/62/24/1121796224.db2.gz GCDCPQIHMKTKDB-QGZVFWFLSA-N 2 1 292.492 3.750 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC001178628711 1121803191 /nfs/dbraw/zinc/80/31/91/1121803191.db2.gz BGOYIVIJNZHKHF-OAGGEKHMSA-N 2 1 254.462 3.521 20 0 CHADMP c1cc2nccc(NC[C@@H]3CCCC[N@H+]3C3CC3)c2s1 ZINC000433806979 1121810931 /nfs/dbraw/zinc/81/09/31/1121810931.db2.gz AUWLQDMXSXWIMX-ZDUSSCGKSA-N 2 1 287.432 3.725 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC001178871911 1121825030 /nfs/dbraw/zinc/82/50/30/1121825030.db2.gz DLTVAFGXOXRPEJ-CVEARBPZSA-N 2 1 266.473 3.667 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC001180058437 1121944583 /nfs/dbraw/zinc/94/45/83/1121944583.db2.gz RACNMFAEOHRJDP-SJORKVTESA-N 2 1 280.500 3.867 20 0 CHADMP CSc1ccccc1[C@@H](C)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000501502520 1121984605 /nfs/dbraw/zinc/98/46/05/1121984605.db2.gz JJTSHHVANFVMOA-CABCVRRESA-N 2 1 292.492 3.934 20 0 CHADMP CSc1ccccc1[C@@H](C)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000501502520 1121984608 /nfs/dbraw/zinc/98/46/08/1121984608.db2.gz JJTSHHVANFVMOA-CABCVRRESA-N 2 1 292.492 3.934 20 0 CHADMP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420296314 1121994965 /nfs/dbraw/zinc/99/49/65/1121994965.db2.gz BJMHTFZCEWXWEC-LSDHHAIUSA-N 2 1 286.419 3.815 20 0 CHADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1csc2ccccc12 ZINC000420297768 1121995765 /nfs/dbraw/zinc/99/57/65/1121995765.db2.gz DNEWTEVCVZZDFK-AWEZNQCLSA-N 2 1 288.460 3.723 20 0 CHADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@@H]1c1ccccc1 ZINC000420301207 1121997415 /nfs/dbraw/zinc/99/74/15/1121997415.db2.gz LDTOIKFEISHYPG-AOIWGVFYSA-N 2 1 286.463 3.502 20 0 CHADMP Cc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)s1 ZINC000420298875 1121998135 /nfs/dbraw/zinc/99/81/35/1121998135.db2.gz IDSLBNABZSHHBR-LSDHHAIUSA-N 2 1 278.465 3.583 20 0 CHADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1Oc1ccccc1 ZINC000420322318 1121999158 /nfs/dbraw/zinc/99/91/58/1121999158.db2.gz SLHQQLQONYABGN-CVEARBPZSA-N 2 1 296.414 3.648 20 0 CHADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420315162 1121999348 /nfs/dbraw/zinc/99/93/48/1121999348.db2.gz ZWDVBGIRMMROCS-HOCLYGCPSA-N 2 1 294.870 3.593 20 0 CHADMP C[C@@H](c1ccccc1Cl)[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000420321729 1122000364 /nfs/dbraw/zinc/00/03/64/1122000364.db2.gz RNKAOOPNORXNDH-KBPBESRZSA-N 2 1 292.854 3.865 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420326074 1122001125 /nfs/dbraw/zinc/00/11/25/1122001125.db2.gz JEXDLWAXVFTNFT-BMFZPTHFSA-N 2 1 292.854 3.723 20 0 CHADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420326077 1122001601 /nfs/dbraw/zinc/00/16/01/1122001601.db2.gz JEXDLWAXVFTNFT-KBMXLJTQSA-N 2 1 292.854 3.723 20 0 CHADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420330910 1122001854 /nfs/dbraw/zinc/00/18/54/1122001854.db2.gz QGEYLKGQORUZKM-KBMXLJTQSA-N 2 1 292.854 3.723 20 0 CHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420946053 1122048120 /nfs/dbraw/zinc/04/81/20/1122048120.db2.gz LMQIXPMOMHTETJ-KGLIPLIRSA-N 2 1 292.389 3.525 20 0 CHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420946053 1122048124 /nfs/dbraw/zinc/04/81/24/1122048124.db2.gz LMQIXPMOMHTETJ-KGLIPLIRSA-N 2 1 292.389 3.525 20 0 CHADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420946053 1122048126 /nfs/dbraw/zinc/04/81/26/1122048126.db2.gz LMQIXPMOMHTETJ-KGLIPLIRSA-N 2 1 292.389 3.525 20 0 CHADMP CC[NH+](CC)CCC[N@@H+](CC)CCc1ccc(Cl)cc1 ZINC001181507194 1122059526 /nfs/dbraw/zinc/05/95/26/1122059526.db2.gz ZZMRUIKCUQEKJX-UHFFFAOYSA-N 2 1 296.886 3.936 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](c2ccccc2)C1(C)C ZINC000421030090 1122062725 /nfs/dbraw/zinc/06/27/25/1122062725.db2.gz YDIYDZNLZNNDTN-SFHVURJKSA-N 2 1 297.446 3.850 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](c2ccccc2)C1(C)C ZINC000421030090 1122062732 /nfs/dbraw/zinc/06/27/32/1122062732.db2.gz YDIYDZNLZNNDTN-SFHVURJKSA-N 2 1 297.446 3.850 20 0 CHADMP CCC[N@H+](CCCc1ccc(F)c(F)c1)CCC[NH+](C)C ZINC001181515294 1122064023 /nfs/dbraw/zinc/06/40/23/1122064023.db2.gz RMHCMCYLGASDOO-UHFFFAOYSA-N 2 1 298.421 3.561 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@@H]1CCCC[C@@H]1C ZINC001181586832 1122064154 /nfs/dbraw/zinc/06/41/54/1122064154.db2.gz DLVUMGCGSTXXLH-VVLHAWIVSA-N 2 1 266.473 3.665 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@@H]1CCCC[C@@H]1C ZINC001181586832 1122064163 /nfs/dbraw/zinc/06/41/63/1122064163.db2.gz DLVUMGCGSTXXLH-VVLHAWIVSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)C1 ZINC000502283154 1122069840 /nfs/dbraw/zinc/06/98/40/1122069840.db2.gz OXYHAASDSCUZRS-TVFCKZIOSA-N 2 1 278.484 3.667 20 0 CHADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001203263053 1122078929 /nfs/dbraw/zinc/07/89/29/1122078929.db2.gz FIIKEEAWIXTPLZ-YTQUADARSA-N 2 1 290.495 3.690 20 0 CHADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001203263052 1122079268 /nfs/dbraw/zinc/07/92/68/1122079268.db2.gz FIIKEEAWIXTPLZ-WDSOQIARSA-N 2 1 290.495 3.690 20 0 CHADMP Cc1ccccc1C(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000153260963 1129030632 /nfs/dbraw/zinc/03/06/32/1129030632.db2.gz IAFKTJFZJRWGAF-XYJFISCASA-N 2 1 288.479 3.591 20 0 CHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc(C3CC3)c2)C1 ZINC000421318672 1122096841 /nfs/dbraw/zinc/09/68/41/1122096841.db2.gz HCANCXMZEYMOCW-GOSISDBHSA-N 2 1 298.474 3.728 20 0 CHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cccc(C3CC3)c2)C1 ZINC000421318672 1122096849 /nfs/dbraw/zinc/09/68/49/1122096849.db2.gz HCANCXMZEYMOCW-GOSISDBHSA-N 2 1 298.474 3.728 20 0 CHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000421318672 1122096857 /nfs/dbraw/zinc/09/68/57/1122096857.db2.gz HCANCXMZEYMOCW-GOSISDBHSA-N 2 1 298.474 3.728 20 0 CHADMP CC(C)[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(F)cc1 ZINC000502536438 1122100226 /nfs/dbraw/zinc/10/02/26/1122100226.db2.gz WPGNRACAIXHVBO-IRXDYDNUSA-N 2 1 278.415 3.597 20 0 CHADMP FC(F)C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000421375527 1122104059 /nfs/dbraw/zinc/10/40/59/1122104059.db2.gz QFNNJOHWBJTADC-OAGGEKHMSA-N 2 1 294.389 3.599 20 0 CHADMP FC(F)C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000421375527 1122104061 /nfs/dbraw/zinc/10/40/61/1122104061.db2.gz QFNNJOHWBJTADC-OAGGEKHMSA-N 2 1 294.389 3.599 20 0 CHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](CC)Cc1ccccc1 ZINC001182115412 1122110653 /nfs/dbraw/zinc/11/06/53/1122110653.db2.gz IMGLRLGUIKCQQO-AEFFLSMTSA-N 2 1 276.468 3.718 20 0 CHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](CC)Cc1ccccc1 ZINC001182115412 1122110657 /nfs/dbraw/zinc/11/06/57/1122110657.db2.gz IMGLRLGUIKCQQO-AEFFLSMTSA-N 2 1 276.468 3.718 20 0 CHADMP Cc1ccc(C)c([C@H](C)[N@@H+](C)CC[C@H]2CCC[NH+]2C)c1 ZINC000502690049 1122133966 /nfs/dbraw/zinc/13/39/66/1122133966.db2.gz PUOOZCVYZRAENL-DLBZAZTESA-N 2 1 274.452 3.781 20 0 CHADMP Cc1ccc(C)c([C@H](C)[NH+](C)CC[C@H]2CCC[N@@H+]2C)c1 ZINC000502690049 1122133969 /nfs/dbraw/zinc/13/39/69/1122133969.db2.gz PUOOZCVYZRAENL-DLBZAZTESA-N 2 1 274.452 3.781 20 0 CHADMP Cc1ccc(C)c([C@H](C)[NH+](C)CC[C@H]2CCC[N@H+]2C)c1 ZINC000502690049 1122133971 /nfs/dbraw/zinc/13/39/71/1122133971.db2.gz PUOOZCVYZRAENL-DLBZAZTESA-N 2 1 274.452 3.781 20 0 CHADMP Cc1ccc(C)c([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)c1 ZINC000503064542 1122164129 /nfs/dbraw/zinc/16/41/29/1122164129.db2.gz RFWKTOQUBSDCIX-MJGOQNOKSA-N 2 1 286.463 3.925 20 0 CHADMP Cc1ccc(C)c([C@@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)c1 ZINC000503064542 1122164131 /nfs/dbraw/zinc/16/41/31/1122164131.db2.gz RFWKTOQUBSDCIX-MJGOQNOKSA-N 2 1 286.463 3.925 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000503094211 1122167720 /nfs/dbraw/zinc/16/77/20/1122167720.db2.gz HUMVELUOYYZYSI-ROUUACIJSA-N 2 1 286.463 3.596 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000271841599 1122179221 /nfs/dbraw/zinc/17/92/21/1122179221.db2.gz WAEYVQNNMLVLIF-UHFFFAOYSA-N 2 1 291.826 3.760 20 0 CHADMP CCC1(CC)CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC001182881433 1122193993 /nfs/dbraw/zinc/19/39/93/1122193993.db2.gz NSUQDJBLYJMLBH-UHFFFAOYSA-N 2 1 298.434 3.670 20 0 CHADMP CCC1(CC)CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC001182881433 1122193996 /nfs/dbraw/zinc/19/39/96/1122193996.db2.gz NSUQDJBLYJMLBH-UHFFFAOYSA-N 2 1 298.434 3.670 20 0 CHADMP CC1=CC[C@@H](CC[N@H+]2CCC[C@](C)([NH3+])CC2)C1(C)C ZINC001205256097 1122207718 /nfs/dbraw/zinc/20/77/18/1122207718.db2.gz MYZUNZNHOYQTQA-RDJZCZTQSA-N 2 1 264.457 3.572 20 0 CHADMP C[C@H]([NH2+]Cc1ccccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272732377 1122211084 /nfs/dbraw/zinc/21/10/84/1122211084.db2.gz ZZGAKUIVPSYQEY-HOCLYGCPSA-N 2 1 290.426 3.568 20 0 CHADMP C[C@H]([NH2+]Cc1ccccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272732377 1122211087 /nfs/dbraw/zinc/21/10/87/1122211087.db2.gz ZZGAKUIVPSYQEY-HOCLYGCPSA-N 2 1 290.426 3.568 20 0 CHADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc3ccccc32)CC1 ZINC001205263996 1122218485 /nfs/dbraw/zinc/21/84/85/1122218485.db2.gz GOYCULMUENETQY-SFHVURJKSA-N 2 1 268.404 3.543 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205281532 1122239806 /nfs/dbraw/zinc/23/98/06/1122239806.db2.gz UMCOHILJCORZJQ-KRWDZBQOSA-N 2 1 288.460 3.913 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000273581522 1122240562 /nfs/dbraw/zinc/24/05/62/1122240562.db2.gz MSZSULZEWVHWSN-INIZCTEOSA-N 2 1 289.810 3.512 20 0 CHADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC001205324700 1122323028 /nfs/dbraw/zinc/32/30/28/1122323028.db2.gz FLDZQXIBVPCMNZ-INIZCTEOSA-N 2 1 280.415 3.537 20 0 CHADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC001205324700 1122323030 /nfs/dbraw/zinc/32/30/30/1122323030.db2.gz FLDZQXIBVPCMNZ-INIZCTEOSA-N 2 1 280.415 3.537 20 0 CHADMP CC(C)CCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434663019 1122391994 /nfs/dbraw/zinc/39/19/94/1122391994.db2.gz JXFGPMVUNBQILI-UHFFFAOYSA-N 2 1 289.467 3.835 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc2c(c1)CCCC2 ZINC000430079614 1122400039 /nfs/dbraw/zinc/40/00/39/1122400039.db2.gz MPZQUIMROGQVJG-UHFFFAOYSA-N 2 1 297.446 3.592 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc2c(c1)CCCC2 ZINC000430079614 1122400042 /nfs/dbraw/zinc/40/00/42/1122400042.db2.gz MPZQUIMROGQVJG-UHFFFAOYSA-N 2 1 297.446 3.592 20 0 CHADMP C[C@H](CC1CCCCC1)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430115204 1122406679 /nfs/dbraw/zinc/40/66/79/1122406679.db2.gz FWQHXPHIHMUJBG-SJLPKXTDSA-N 2 1 278.484 3.621 20 0 CHADMP C[C@H](CC1CCCCC1)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000430115204 1122406681 /nfs/dbraw/zinc/40/66/81/1122406681.db2.gz FWQHXPHIHMUJBG-SJLPKXTDSA-N 2 1 278.484 3.621 20 0 CHADMP C[C@H](CC1CCCCC1)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000430115204 1122406685 /nfs/dbraw/zinc/40/66/85/1122406685.db2.gz FWQHXPHIHMUJBG-SJLPKXTDSA-N 2 1 278.484 3.621 20 0 CHADMP CCSc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000435382300 1122462365 /nfs/dbraw/zinc/46/23/65/1122462365.db2.gz YLILVTNNOGGHIX-XYPWUTKMSA-N 2 1 290.476 3.513 20 0 CHADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccc1 ZINC001167959385 1122475445 /nfs/dbraw/zinc/47/54/45/1122475445.db2.gz NRWOVIDYAHJNLW-FAXKSRBJSA-N 2 1 298.474 3.785 20 0 CHADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000435745296 1122487199 /nfs/dbraw/zinc/48/71/99/1122487199.db2.gz LOXZZLNNPSKAKY-OIISXLGYSA-N 2 1 264.457 3.562 20 0 CHADMP CC[C@H](C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1)[NH+]1CCCC1 ZINC000436285239 1122531278 /nfs/dbraw/zinc/53/12/78/1122531278.db2.gz CYBOJPUMXXWWEE-IPMKNSEASA-N 2 1 286.463 3.787 20 0 CHADMP CCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000436305775 1122536679 /nfs/dbraw/zinc/53/66/79/1122536679.db2.gz HIQGDDCZSSTCFC-HOCLYGCPSA-N 2 1 252.446 3.562 20 0 CHADMP CC(C)[C@H]1CCCC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC001191021148 1122564955 /nfs/dbraw/zinc/56/49/55/1122564955.db2.gz CDGGMETUEAIUSD-GOSISDBHSA-N 2 1 283.419 3.883 20 0 CHADMP C[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)CC(C)(C)C ZINC001191070330 1122568216 /nfs/dbraw/zinc/56/82/16/1122568216.db2.gz KNKPQHFHGSOPHW-IRXDYDNUSA-N 2 1 280.500 3.867 20 0 CHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1csc2ccccc12 ZINC000925011488 1122577694 /nfs/dbraw/zinc/57/76/94/1122577694.db2.gz QJLOHXYUSBFZAZ-KBPBESRZSA-N 2 1 288.460 3.894 20 0 CHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](C)C2CCCCC2)C1 ZINC001191260070 1122585497 /nfs/dbraw/zinc/58/54/97/1122585497.db2.gz ZCZAUMDDVDZVOI-IRXDYDNUSA-N 2 1 280.500 3.867 20 0 CHADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC001191789048 1122615144 /nfs/dbraw/zinc/61/51/44/1122615144.db2.gz FLMVAYIRKPXGMT-DLBZAZTESA-N 2 1 266.473 3.763 20 0 CHADMP C[C@@H](C[NH+]1CCC2(CCC[N@@H+]2C)CC1)CC(C)(C)C ZINC001192536251 1122651717 /nfs/dbraw/zinc/65/17/17/1122651717.db2.gz LPNXUVUQLRTBJA-OAHLLOKOSA-N 2 1 266.473 3.619 20 0 CHADMP c1ccc(C[C@@H]2CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)C2)cc1 ZINC000438085865 1122674827 /nfs/dbraw/zinc/67/48/27/1122674827.db2.gz QMYWAEMKSMWFQZ-MUGJNUQGSA-N 2 1 298.474 3.614 20 0 CHADMP c1ccc(C[C@@H]2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)C2)cc1 ZINC000438085865 1122674832 /nfs/dbraw/zinc/67/48/32/1122674832.db2.gz QMYWAEMKSMWFQZ-MUGJNUQGSA-N 2 1 298.474 3.614 20 0 CHADMP C=Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167965659 1122813619 /nfs/dbraw/zinc/81/36/19/1122813619.db2.gz JMTNFTWFTSPINC-IHWFROFDSA-N 2 1 296.458 3.825 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cc2ccccc2[nH]1 ZINC000775627769 1122831432 /nfs/dbraw/zinc/83/14/32/1122831432.db2.gz OFDKAIJCSQACNB-KBPBESRZSA-N 2 1 296.418 3.660 20 0 CHADMP c1ccc([C@@H]2C[C@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167967969 1122848229 /nfs/dbraw/zinc/84/82/29/1122848229.db2.gz NGDNLINFNQUUOQ-OLPBJYBYSA-N 2 1 296.458 3.538 20 0 CHADMP C[C@@]1(F)CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167983804 1122908205 /nfs/dbraw/zinc/90/82/05/1122908205.db2.gz IDAGGMSYDNCODS-UJJTZGENSA-N 2 1 294.458 3.606 20 0 CHADMP C[C@@]1(F)CCCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167983804 1122908208 /nfs/dbraw/zinc/90/82/08/1122908208.db2.gz IDAGGMSYDNCODS-UJJTZGENSA-N 2 1 294.458 3.606 20 0 CHADMP C[C@@]1(F)CCCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167983804 1122908212 /nfs/dbraw/zinc/90/82/12/1122908212.db2.gz IDAGGMSYDNCODS-UJJTZGENSA-N 2 1 294.458 3.606 20 0 CHADMP Cc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167984366 1122918900 /nfs/dbraw/zinc/91/89/00/1122918900.db2.gz NSMHYKOFYBXRLG-YOFSQIOKSA-N 2 1 298.474 3.832 20 0 CHADMP Cc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167984366 1122918901 /nfs/dbraw/zinc/91/89/01/1122918901.db2.gz NSMHYKOFYBXRLG-YOFSQIOKSA-N 2 1 298.474 3.832 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000267214798 1129088189 /nfs/dbraw/zinc/08/81/89/1129088189.db2.gz IDVUQUOAQHDFPR-CQSZACIVSA-N 2 1 279.387 3.696 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000267519491 1129089542 /nfs/dbraw/zinc/08/95/42/1129089542.db2.gz NCVBSEXDRPTUKA-YJBOKZPZSA-N 2 1 272.436 3.572 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000267519491 1129089546 /nfs/dbraw/zinc/08/95/46/1129089546.db2.gz NCVBSEXDRPTUKA-YJBOKZPZSA-N 2 1 272.436 3.572 20 0 CHADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CC[C@@H]3CCC[C@H]3C1)C2 ZINC001167986546 1122978224 /nfs/dbraw/zinc/97/82/24/1122978224.db2.gz GRCIOTUOUIPBDM-ZWKKMZQASA-N 2 1 288.479 3.514 20 0 CHADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@@H+]1CC[C@@H]3CCC[C@H]3C1)C2 ZINC001167986546 1122978226 /nfs/dbraw/zinc/97/82/26/1122978226.db2.gz GRCIOTUOUIPBDM-ZWKKMZQASA-N 2 1 288.479 3.514 20 0 CHADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@H+]1CC[C@@H]3CCC[C@H]3C1)C2 ZINC001167986546 1122978228 /nfs/dbraw/zinc/97/82/28/1122978228.db2.gz GRCIOTUOUIPBDM-ZWKKMZQASA-N 2 1 288.479 3.514 20 0 CHADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](c2ccccc2)CC1(C)C ZINC001198287987 1122986288 /nfs/dbraw/zinc/98/62/88/1122986288.db2.gz CXTAVSONKWXDQK-SFHVURJKSA-N 2 1 288.479 3.986 20 0 CHADMP c1cc(-c2ccccc2)oc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262075377 1122998130 /nfs/dbraw/zinc/99/81/30/1122998130.db2.gz SNLCWJCEGWJHRJ-UHFFFAOYSA-N 2 1 296.414 3.522 20 0 CHADMP Cc1cccc([C@@H](C)[N@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)c1 ZINC001198820939 1123012267 /nfs/dbraw/zinc/01/22/67/1123012267.db2.gz OCXJSZCYBKUZTF-RLLQIKCJSA-N 2 1 298.474 3.864 20 0 CHADMP Cc1cccc([C@@H](C)[NH+]2C[C@@]34C[N@H+](C)C[C@]3(C2)CCCC4)c1 ZINC001198820939 1123012270 /nfs/dbraw/zinc/01/22/70/1123012270.db2.gz OCXJSZCYBKUZTF-RLLQIKCJSA-N 2 1 298.474 3.864 20 0 CHADMP Cc1cccc([C@@H](C)[NH+]2C[C@@]34C[N@@H+](C)C[C@]3(C2)CCCC4)c1 ZINC001198820939 1123012276 /nfs/dbraw/zinc/01/22/76/1123012276.db2.gz OCXJSZCYBKUZTF-RLLQIKCJSA-N 2 1 298.474 3.864 20 0 CHADMP C[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)CC(C)(C)C ZINC000188030465 1123012357 /nfs/dbraw/zinc/01/23/57/1123012357.db2.gz KDAJYYFFZURNDK-QLFBSQMISA-N 2 1 254.462 3.521 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000164592760 1123021696 /nfs/dbraw/zinc/02/16/96/1123021696.db2.gz LNNKYYXOGDASCP-LJQANCHMSA-N 2 1 297.446 3.583 20 0 CHADMP CC[C@H](C[NH2+]C[C@@H](C)[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC001199268469 1123025576 /nfs/dbraw/zinc/02/55/76/1123025576.db2.gz YBKYKHGHXMCFMO-RCCFBDPRSA-N 2 1 288.479 3.890 20 0 CHADMP CC[C@H](C[NH2+]C[C@@H](C)[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC001199268469 1123025580 /nfs/dbraw/zinc/02/55/80/1123025580.db2.gz YBKYKHGHXMCFMO-RCCFBDPRSA-N 2 1 288.479 3.890 20 0 CHADMP CCC1CCC([NH2+][C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC001199709408 1123037883 /nfs/dbraw/zinc/03/78/83/1123037883.db2.gz YGHVUPHATFCDHY-NJINODPHSA-N 2 1 266.473 3.665 20 0 CHADMP CCC1CCC([NH2+][C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001199709408 1123037879 /nfs/dbraw/zinc/03/78/79/1123037879.db2.gz YGHVUPHATFCDHY-NJINODPHSA-N 2 1 266.473 3.665 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c(C)cc(C)cc1C ZINC000105443627 1123052044 /nfs/dbraw/zinc/05/20/44/1123052044.db2.gz MVFREQBEZIDKQZ-AWEZNQCLSA-N 2 1 285.435 3.543 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C[C@H]1CC=CCC1 ZINC001201423673 1123099042 /nfs/dbraw/zinc/09/90/42/1123099042.db2.gz RKHFGWQSRIHNPJ-BZSNNMDCSA-N 2 1 276.468 3.682 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C[C@H]1CC=CCC1 ZINC001201423673 1123099047 /nfs/dbraw/zinc/09/90/47/1123099047.db2.gz RKHFGWQSRIHNPJ-BZSNNMDCSA-N 2 1 276.468 3.682 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C[C@H]1CC=CCC1 ZINC001201423673 1123099052 /nfs/dbraw/zinc/09/90/52/1123099052.db2.gz RKHFGWQSRIHNPJ-BZSNNMDCSA-N 2 1 276.468 3.682 20 0 CHADMP CC[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167994341 1123103651 /nfs/dbraw/zinc/10/36/51/1123103651.db2.gz BUWCDLUNMVOBMY-QTXGHNMQSA-N 2 1 276.468 3.514 20 0 CHADMP CC[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167994341 1123103654 /nfs/dbraw/zinc/10/36/54/1123103654.db2.gz BUWCDLUNMVOBMY-QTXGHNMQSA-N 2 1 276.468 3.514 20 0 CHADMP CC[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167994341 1123103657 /nfs/dbraw/zinc/10/36/57/1123103657.db2.gz BUWCDLUNMVOBMY-QTXGHNMQSA-N 2 1 276.468 3.514 20 0 CHADMP CN(Cc1ccsc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995589 1123107651 /nfs/dbraw/zinc/10/76/51/1123107651.db2.gz KCUOTXDKYSVBAY-SJPCQFCGSA-N 2 1 290.476 3.585 20 0 CHADMP C[N@H+](Cc1ccsc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995589 1123107653 /nfs/dbraw/zinc/10/76/53/1123107653.db2.gz KCUOTXDKYSVBAY-SJPCQFCGSA-N 2 1 290.476 3.585 20 0 CHADMP C[N@@H+](Cc1ccsc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995589 1123107658 /nfs/dbraw/zinc/10/76/58/1123107658.db2.gz KCUOTXDKYSVBAY-SJPCQFCGSA-N 2 1 290.476 3.585 20 0 CHADMP C[NH+](Cc1ccsc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995589 1123107661 /nfs/dbraw/zinc/10/76/61/1123107661.db2.gz KCUOTXDKYSVBAY-SJPCQFCGSA-N 2 1 290.476 3.585 20 0 CHADMP C[NH+](Cc1ccsc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995589 1123107665 /nfs/dbraw/zinc/10/76/65/1123107665.db2.gz KCUOTXDKYSVBAY-SJPCQFCGSA-N 2 1 290.476 3.585 20 0 CHADMP CSc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205922933 1123122724 /nfs/dbraw/zinc/12/27/24/1123122724.db2.gz DSJSRVLZNAMRSC-VXGBXAGGSA-N 2 1 298.883 3.621 20 0 CHADMP CSc1ccc(Cl)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205922933 1123122726 /nfs/dbraw/zinc/12/27/26/1123122726.db2.gz DSJSRVLZNAMRSC-VXGBXAGGSA-N 2 1 298.883 3.621 20 0 CHADMP Cc1cccc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1C ZINC001201558160 1123123648 /nfs/dbraw/zinc/12/36/48/1123123648.db2.gz PVDNXELKPAPBFG-GOSISDBHSA-N 2 1 288.479 3.761 20 0 CHADMP CCCCC[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001201734519 1123149725 /nfs/dbraw/zinc/14/97/25/1123149725.db2.gz DZDZWIHAKVYQRH-MRXNPFEDSA-N 2 1 252.446 3.517 20 0 CHADMP C(C1CC1)[N@H+]1CCCC12CC[NH+](CC1CCCC1)CC2 ZINC001202140260 1123178060 /nfs/dbraw/zinc/17/80/60/1123178060.db2.gz ZNWHXYVEKXGWLY-UHFFFAOYSA-N 2 1 276.468 3.517 20 0 CHADMP C(C[NH+]1CCCC1)[C@@H]1CCCC[N@H+]1CC1CCCC1 ZINC001202167784 1123180533 /nfs/dbraw/zinc/18/05/33/1123180533.db2.gz VBODFQZVFRITIX-KRWDZBQOSA-N 2 1 264.457 3.517 20 0 CHADMP CCc1cccc(Cl)c1CNC[C@H]1CCC[N@H+](CC)C1 ZINC000474006050 1123205165 /nfs/dbraw/zinc/20/51/65/1123205165.db2.gz DIHRRTDCPMYXCL-CQSZACIVSA-N 2 1 294.870 3.724 20 0 CHADMP CCc1cccc(Cl)c1C[NH2+]C[C@H]1CCC[N@@H+](CC)C1 ZINC000474006050 1123205169 /nfs/dbraw/zinc/20/51/69/1123205169.db2.gz DIHRRTDCPMYXCL-CQSZACIVSA-N 2 1 294.870 3.724 20 0 CHADMP CCc1cccc(Cl)c1C[NH2+]C[C@H]1CCC[N@H+](CC)C1 ZINC000474006050 1123205173 /nfs/dbraw/zinc/20/51/73/1123205173.db2.gz DIHRRTDCPMYXCL-CQSZACIVSA-N 2 1 294.870 3.724 20 0 CHADMP C[N@@H+](CCCC(F)(F)F)Cc1ccc(-n2ccnc2)cc1 ZINC001202441994 1123208390 /nfs/dbraw/zinc/20/83/90/1123208390.db2.gz JTZOXFFDASESCI-UHFFFAOYSA-N 2 1 297.324 3.647 20 0 CHADMP Cc1cc(C)cc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000665245709 1123253048 /nfs/dbraw/zinc/25/30/48/1123253048.db2.gz PRZGVJUOWUTTIU-MSOLQXFVSA-N 2 1 266.388 3.538 20 0 CHADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000665248854 1123260316 /nfs/dbraw/zinc/26/03/16/1123260316.db2.gz DQIAFUNDZOFOPL-LLVKDONJSA-N 2 1 286.341 3.628 20 0 CHADMP CCSc1ccccc1[C@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665249498 1123264013 /nfs/dbraw/zinc/26/40/13/1123264013.db2.gz ROZHXQICRHGFCX-ZDUSSCGKSA-N 2 1 278.465 3.721 20 0 CHADMP C(C[N@H+]1CCC[C@H]1C1CCCCC1)C[NH+]1CCCCC1 ZINC000508195819 1123269526 /nfs/dbraw/zinc/26/95/26/1123269526.db2.gz PFFWUUUBJITFEO-SFHVURJKSA-N 2 1 278.484 3.907 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2C=CCC2)cc1 ZINC000850509929 1123277726 /nfs/dbraw/zinc/27/77/26/1123277726.db2.gz QAMXLSGRJODTER-XJKSGUPXSA-N 2 1 267.376 3.550 20 0 CHADMP C[C@@H]1C[C@@H](n2cccc2C[NH3+])C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012510 1123292955 /nfs/dbraw/zinc/29/29/55/1123292955.db2.gz BHAXJDCOJITYCY-HGKCTWBKSA-N 2 1 297.446 3.561 20 0 CHADMP CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc2ccccc21 ZINC000665279578 1123311768 /nfs/dbraw/zinc/31/17/68/1123311768.db2.gz GKHPHUFXQIXQDE-PJOPYLDSSA-N 2 1 280.415 3.633 20 0 CHADMP Cc1cccc2c1CCC[C@H]2[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000665283515 1123317305 /nfs/dbraw/zinc/31/73/05/1123317305.db2.gz PFERDPUKQLQAMI-SCLBCKFNSA-N 2 1 281.403 3.531 20 0 CHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000272370097 1129118664 /nfs/dbraw/zinc/11/86/64/1129118664.db2.gz UPJOWMSBPGICKE-XYJFISCASA-N 2 1 298.430 3.841 20 0 CHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000272370097 1129118667 /nfs/dbraw/zinc/11/86/67/1129118667.db2.gz UPJOWMSBPGICKE-XYJFISCASA-N 2 1 298.430 3.841 20 0 CHADMP CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000443413256 1123397845 /nfs/dbraw/zinc/39/78/45/1123397845.db2.gz FPSLWHXLJDUTJS-XHSDSOJGSA-N 2 1 273.424 3.582 20 0 CHADMP C(C1CCCC1)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000474064343 1123407694 /nfs/dbraw/zinc/40/76/94/1123407694.db2.gz CNVXFEYILPVUDI-SJORKVTESA-N 2 1 276.468 3.563 20 0 CHADMP C(C1CCCC1)[N@H+]1CC[C@@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000474064343 1123407695 /nfs/dbraw/zinc/40/76/95/1123407695.db2.gz CNVXFEYILPVUDI-SJORKVTESA-N 2 1 276.468 3.563 20 0 CHADMP CC(C)[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000474281876 1123499627 /nfs/dbraw/zinc/49/96/27/1123499627.db2.gz FTRHUJRXGPZWML-UHOSZYNNSA-N 2 1 288.479 3.841 20 0 CHADMP CC(C)[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000474281876 1123499629 /nfs/dbraw/zinc/49/96/29/1123499629.db2.gz FTRHUJRXGPZWML-UHOSZYNNSA-N 2 1 288.479 3.841 20 0 CHADMP CC(C)[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000474281876 1123499630 /nfs/dbraw/zinc/49/96/30/1123499630.db2.gz FTRHUJRXGPZWML-UHOSZYNNSA-N 2 1 288.479 3.841 20 0 CHADMP CC(C)[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000474281876 1123499632 /nfs/dbraw/zinc/49/96/32/1123499632.db2.gz FTRHUJRXGPZWML-UHOSZYNNSA-N 2 1 288.479 3.841 20 0 CHADMP CCC1(CC)CCC([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000474424183 1123526019 /nfs/dbraw/zinc/52/60/19/1123526019.db2.gz BCFYWWNVOSABIX-ZBFHGGJFSA-N 2 1 266.473 3.665 20 0 CHADMP CCC1(CC)CCC([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000474424183 1123526022 /nfs/dbraw/zinc/52/60/22/1123526022.db2.gz BCFYWWNVOSABIX-ZBFHGGJFSA-N 2 1 266.473 3.665 20 0 CHADMP CCC1(CC)CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000474432532 1123529008 /nfs/dbraw/zinc/52/90/08/1123529008.db2.gz QWDYGCXGPOMEPP-IAGOWNOFSA-N 2 1 278.484 3.952 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000474457300 1123532882 /nfs/dbraw/zinc/53/28/82/1123532882.db2.gz GAUBBBYXPYHDPW-OWCLPIDISA-N 2 1 292.467 3.507 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H](C)C2CCCCC2)C1 ZINC000474465692 1123534878 /nfs/dbraw/zinc/53/48/78/1123534878.db2.gz DXJXHZOLOBLTSZ-HRCADAONSA-N 2 1 266.473 3.523 20 0 CHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000474465199 1123535100 /nfs/dbraw/zinc/53/51/00/1123535100.db2.gz WOKRTFRPXFWHEQ-CVEARBPZSA-N 2 1 292.467 3.507 20 0 CHADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)C1CCCC1 ZINC000474467370 1123535579 /nfs/dbraw/zinc/53/55/79/1123535579.db2.gz BXZHCGSGKJFAGK-INIZCTEOSA-N 2 1 286.463 3.603 20 0 CHADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)C1CCCC1 ZINC000474467370 1123535582 /nfs/dbraw/zinc/53/55/82/1123535582.db2.gz BXZHCGSGKJFAGK-INIZCTEOSA-N 2 1 286.463 3.603 20 0 CHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CCCC1 ZINC000474473606 1123536372 /nfs/dbraw/zinc/53/63/72/1123536372.db2.gz FKLLFLIYJMFVRT-BBWFWOEESA-N 2 1 280.500 3.913 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](C(C)C)C2)C1 ZINC000474602596 1123556763 /nfs/dbraw/zinc/55/67/63/1123556763.db2.gz NCNONADIBIFKGY-ZACQAIPSSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@H]([NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1)C1CCSCC1 ZINC000474608952 1123557864 /nfs/dbraw/zinc/55/78/64/1123557864.db2.gz ZQSYUVFUXUUYGR-HLLBOEOZSA-N 2 1 298.540 3.618 20 0 CHADMP C[C@H]1CC[N@@H+]1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168038972 1123559303 /nfs/dbraw/zinc/55/93/03/1123559303.db2.gz AQGNHSLKJBKQKB-ARFHVFGLSA-N 2 1 272.436 3.522 20 0 CHADMP C[C@H]1CC[N@H+]1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168038972 1123559306 /nfs/dbraw/zinc/55/93/06/1123559306.db2.gz AQGNHSLKJBKQKB-ARFHVFGLSA-N 2 1 272.436 3.522 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@H+](CCCc2ccccc2Cl)CC1 ZINC000429536931 1123564368 /nfs/dbraw/zinc/56/43/68/1123564368.db2.gz LMJGXUMCUMVYDX-MRXNPFEDSA-N 2 1 294.870 3.689 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCc2ccccc2Cl)CC1 ZINC000429536931 1123564370 /nfs/dbraw/zinc/56/43/70/1123564370.db2.gz LMJGXUMCUMVYDX-MRXNPFEDSA-N 2 1 294.870 3.689 20 0 CHADMP CC[NH+](CC)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168041822 1123590149 /nfs/dbraw/zinc/59/01/49/1123590149.db2.gz VYQVBVPWGQNRMJ-ALXJQNPVSA-N 2 1 274.452 3.770 20 0 CHADMP CC[NH+](CC)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168041822 1123590155 /nfs/dbraw/zinc/59/01/55/1123590155.db2.gz VYQVBVPWGQNRMJ-ALXJQNPVSA-N 2 1 274.452 3.770 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCNc1cc[nH+]c2ccccc12 ZINC000041720326 1123594828 /nfs/dbraw/zinc/59/48/28/1123594828.db2.gz SMWOLBGOZCZJJC-OAHLLOKOSA-N 2 1 283.419 3.911 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1OC ZINC000858095141 1123631151 /nfs/dbraw/zinc/63/11/51/1123631151.db2.gz LUXXPHAJHPKTCI-ZBFHGGJFSA-N 2 1 290.451 3.609 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1OC ZINC000858095141 1123631153 /nfs/dbraw/zinc/63/11/53/1123631153.db2.gz LUXXPHAJHPKTCI-ZBFHGGJFSA-N 2 1 290.451 3.609 20 0 CHADMP C[C@@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858098073 1123631282 /nfs/dbraw/zinc/63/12/82/1123631282.db2.gz GELORNLOSSXYIE-ZFWWWQNUSA-N 2 1 294.870 3.733 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C(C)(C)C ZINC000157944901 1129135094 /nfs/dbraw/zinc/13/50/94/1129135094.db2.gz JJHCCVXGOZAVIL-CABCVRRESA-N 2 1 254.462 3.523 20 0 CHADMP CCC[C@H](C)CCC[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000858345970 1123647006 /nfs/dbraw/zinc/64/70/06/1123647006.db2.gz DNBYBWDSKXXPHQ-LSDHHAIUSA-N 2 1 254.462 3.665 20 0 CHADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000858491627 1123657521 /nfs/dbraw/zinc/65/75/21/1123657521.db2.gz MDBWVIAOXBTRCG-CABCVRRESA-N 2 1 278.415 3.517 20 0 CHADMP CC(C)[C@H](C)[N@@H+](Cc1cc(-n2ccnc2)cs1)C1CC1 ZINC000346129103 1123665589 /nfs/dbraw/zinc/66/55/89/1123665589.db2.gz FZMCOSUXSOVQJK-ZDUSSCGKSA-N 2 1 289.448 3.943 20 0 CHADMP Cc1nccn1CC[N@H+]1CCC[C@@H]1c1cc(C)ccc1C ZINC000346312292 1123679507 /nfs/dbraw/zinc/67/95/07/1123679507.db2.gz PBBSYNWXWAUMFY-GOSISDBHSA-N 2 1 283.419 3.645 20 0 CHADMP CC(C)=CCC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213136 1123690153 /nfs/dbraw/zinc/69/01/53/1123690153.db2.gz MHQJWKHCRCLJRB-UHFFFAOYSA-N 2 1 260.425 3.536 20 0 CHADMP CCC1(CC)CCC[N@H+](CCCn2cc[nH+]c2C)CC1 ZINC000346491139 1123690698 /nfs/dbraw/zinc/69/06/98/1123690698.db2.gz PBSMCQOVWGDWEB-UHFFFAOYSA-N 2 1 277.456 3.874 20 0 CHADMP CCC1(CC)CCC[N@@H+](CCCn2cc[nH+]c2C)CC1 ZINC000346491139 1123690701 /nfs/dbraw/zinc/69/07/01/1123690701.db2.gz PBSMCQOVWGDWEB-UHFFFAOYSA-N 2 1 277.456 3.874 20 0 CHADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cccc(-c2ccccn2)c1 ZINC000346671779 1123705551 /nfs/dbraw/zinc/70/55/51/1123705551.db2.gz HDRSGYFYKQLENY-GOSISDBHSA-N 2 1 297.446 3.554 20 0 CHADMP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000346984137 1123740056 /nfs/dbraw/zinc/74/00/56/1123740056.db2.gz OIFIQGZLXMZKBB-UONOGXRCSA-N 2 1 295.496 3.567 20 0 CHADMP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000346984137 1123740059 /nfs/dbraw/zinc/74/00/59/1123740059.db2.gz OIFIQGZLXMZKBB-UONOGXRCSA-N 2 1 295.496 3.567 20 0 CHADMP CSc1ccccc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000281885527 1123748193 /nfs/dbraw/zinc/74/81/93/1123748193.db2.gz ANRILCCRSQQLAN-ZIAGYGMSSA-N 2 1 278.465 3.543 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429550116 1123833398 /nfs/dbraw/zinc/83/33/98/1123833398.db2.gz SVJUVMRHUXPFLI-MRXNPFEDSA-N 2 1 280.843 3.565 20 0 CHADMP Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429550116 1123833401 /nfs/dbraw/zinc/83/34/01/1123833401.db2.gz SVJUVMRHUXPFLI-MRXNPFEDSA-N 2 1 280.843 3.565 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CC(c2ccccc2C)C1 ZINC000475350455 1123846649 /nfs/dbraw/zinc/84/66/49/1123846649.db2.gz JVINEKCMPWQKOF-KLAILNCOSA-N 2 1 274.452 3.561 20 0 CHADMP C[NH+](C)[C@@H](CNc1cc[nH+]cc1Cl)c1ccc(F)cc1 ZINC000301560357 1123911363 /nfs/dbraw/zinc/91/13/63/1123911363.db2.gz IGGWPXSSRGAAJC-HNNXBMFYSA-N 2 1 293.773 3.589 20 0 CHADMP Clc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339067109 1123923718 /nfs/dbraw/zinc/92/37/18/1123923718.db2.gz JAUZFFQKXCTQSP-DCGLDWPTSA-N 2 1 290.838 3.544 20 0 CHADMP CCC[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000444639280 1124049628 /nfs/dbraw/zinc/04/96/28/1124049628.db2.gz MXIQGEGQTCOXBN-MRXNPFEDSA-N 2 1 252.446 3.517 20 0 CHADMP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623344980 1124074809 /nfs/dbraw/zinc/07/48/09/1124074809.db2.gz LQCMUMNWHWWSAV-GOEBONIOSA-N 2 1 290.451 3.609 20 0 CHADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000445998700 1124107618 /nfs/dbraw/zinc/10/76/18/1124107618.db2.gz MPJJPLUGSBPVTR-QYZOEREBSA-N 2 1 286.463 3.787 20 0 CHADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000445998698 1124107723 /nfs/dbraw/zinc/10/77/23/1124107723.db2.gz MPJJPLUGSBPVTR-GUDVDZBRSA-N 2 1 286.463 3.787 20 0 CHADMP C[C@@H](CC[N@H+]1CCCC12CC[NH+](C)CC2)c1ccccc1 ZINC000446793432 1124122428 /nfs/dbraw/zinc/12/24/28/1124122428.db2.gz DSWSIXIULWELGY-KRWDZBQOSA-N 2 1 286.463 3.740 20 0 CHADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000414728185 1129178370 /nfs/dbraw/zinc/17/83/70/1129178370.db2.gz CGTMRCJHKHQJDS-SOLBZPMBSA-N 2 1 272.436 3.602 20 0 CHADMP C[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000525694080 1124458371 /nfs/dbraw/zinc/45/83/71/1124458371.db2.gz LXOKJVAZKYQPBO-WCXIOVBPSA-N 2 1 266.473 3.523 20 0 CHADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc21 ZINC000447542247 1124486585 /nfs/dbraw/zinc/48/65/85/1124486585.db2.gz INWLQYCGDSGEMI-PDWMJMLSSA-N 2 1 286.463 3.943 20 0 CHADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc21 ZINC000447542247 1124486591 /nfs/dbraw/zinc/48/65/91/1124486591.db2.gz INWLQYCGDSGEMI-PDWMJMLSSA-N 2 1 286.463 3.943 20 0 CHADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc21 ZINC000447542250 1124486904 /nfs/dbraw/zinc/48/69/04/1124486904.db2.gz INWLQYCGDSGEMI-QXGSTGNESA-N 2 1 286.463 3.943 20 0 CHADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc21 ZINC000447542250 1124486909 /nfs/dbraw/zinc/48/69/09/1124486909.db2.gz INWLQYCGDSGEMI-QXGSTGNESA-N 2 1 286.463 3.943 20 0 CHADMP CC(C)[NH+]1CCC([N@@H+](C)CC[C@H](C)c2ccccc2)CC1 ZINC000447797488 1124524657 /nfs/dbraw/zinc/52/46/57/1124524657.db2.gz KMVIAUDBIGKJMR-KRWDZBQOSA-N 2 1 288.479 3.985 20 0 CHADMP CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCC)C1)C1CCCC1 ZINC000449095470 1124650695 /nfs/dbraw/zinc/65/06/95/1124650695.db2.gz YQICEXRMRKSOFY-RDJZCZTQSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@@H](Cc1ccoc1)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000449302800 1124687448 /nfs/dbraw/zinc/68/74/48/1124687448.db2.gz WEGORMSDMBWEFD-YJBOKZPZSA-N 2 1 290.451 3.597 20 0 CHADMP CCC[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C(C)(C)C ZINC000449471878 1124751913 /nfs/dbraw/zinc/75/19/13/1124751913.db2.gz PJWGRDLVLDXKFJ-CYBMUJFWSA-N 2 1 283.485 3.509 20 0 CHADMP C[N@@H+](CCCCCC[NH3+])Cc1cccc(-c2ccccn2)c1 ZINC000873231919 1124752304 /nfs/dbraw/zinc/75/23/04/1124752304.db2.gz YXSNXTFEAXMYKC-UHFFFAOYSA-N 2 1 297.446 3.700 20 0 CHADMP C[N@@H+](CCCCCC[NH3+])Cc1cnc(C2CCCC2)s1 ZINC000873231922 1124753260 /nfs/dbraw/zinc/75/32/60/1124753260.db2.gz ZHVXOYQOIVJOQL-UHFFFAOYSA-N 2 1 295.496 3.752 20 0 CHADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449485636 1124764448 /nfs/dbraw/zinc/76/44/48/1124764448.db2.gz QVQVRYMKFIZBKX-AITUJVMLSA-N 2 1 286.463 3.533 20 0 CHADMP CCCC[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560030 1124803737 /nfs/dbraw/zinc/80/37/37/1124803737.db2.gz FFNAZKBGWKNSCH-AKBNIOSXSA-N 2 1 264.457 3.560 20 0 CHADMP CCC[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449735133 1124853008 /nfs/dbraw/zinc/85/30/08/1124853008.db2.gz PNTLLNOEJSZUNT-ZJPYXAASSA-N 2 1 278.484 3.809 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000449743356 1124857507 /nfs/dbraw/zinc/85/75/07/1124857507.db2.gz WXZXDTDSRPFTRQ-NMLACTOBSA-N 2 1 298.474 3.675 20 0 CHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000449743356 1124857516 /nfs/dbraw/zinc/85/75/16/1124857516.db2.gz WXZXDTDSRPFTRQ-NMLACTOBSA-N 2 1 298.474 3.675 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449739680 1124858407 /nfs/dbraw/zinc/85/84/07/1124858407.db2.gz BVYXSAARJYVLKO-XCLNPWKQSA-N 2 1 298.474 3.533 20 0 CHADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000449773396 1124867193 /nfs/dbraw/zinc/86/71/93/1124867193.db2.gz MXWSCSZTQADBGN-WMLDXEAASA-N 2 1 292.854 3.660 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H](C)CC(C)(C)C)[C@@H](C)C1 ZINC000443197561 1124907484 /nfs/dbraw/zinc/90/74/84/1124907484.db2.gz XOPPEOOXWFLTJX-PMPSAXMXSA-N 2 1 268.489 3.769 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)CCC2=CCCCC2)CC1 ZINC000450469401 1125038937 /nfs/dbraw/zinc/03/89/37/1125038937.db2.gz RBCAKRJNLKVCON-UHFFFAOYSA-N 2 1 264.457 3.683 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CC/C=C/c2ccccc2)[C@H](C)C1 ZINC000450562146 1125058158 /nfs/dbraw/zinc/05/81/58/1125058158.db2.gz HVUAHAMKEFELLG-JWIPOZPYSA-N 2 1 286.463 3.752 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CC/C=C/c2ccccc2)[C@H](C)C1 ZINC000450562146 1125058166 /nfs/dbraw/zinc/05/81/66/1125058166.db2.gz HVUAHAMKEFELLG-JWIPOZPYSA-N 2 1 286.463 3.752 20 0 CHADMP CCCC[C@H](CC(C)C)[NH2+]C[C@@]1(F)CCCC[NH2+]C1 ZINC001246112162 1131330510 /nfs/dbraw/zinc/33/05/10/1131330510.db2.gz LGXHCOXAYAXYND-HZPDHXFCSA-N 2 1 272.452 3.663 20 0 CHADMP CCC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000121409478 1125120067 /nfs/dbraw/zinc/12/00/67/1125120067.db2.gz FCBUEUBSCAEHPY-QAPCUYQASA-N 2 1 285.435 3.959 20 0 CHADMP C(C1CC2(CCC2)C1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000878120419 1125121926 /nfs/dbraw/zinc/12/19/26/1125121926.db2.gz IHMKOQPNDQAMFV-KRWDZBQOSA-N 2 1 276.468 3.517 20 0 CHADMP c1cn(Cc2ccc(C[NH+]3CCCCC3)cc2)c(C2CC2)[nH+]1 ZINC000530130981 1125124037 /nfs/dbraw/zinc/12/40/37/1125124037.db2.gz VJMVFDRAWWTTEG-UHFFFAOYSA-N 2 1 295.430 3.795 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H]2CCCC2(F)F)C[C@@H]1C ZINC000878163833 1125126125 /nfs/dbraw/zinc/12/61/25/1125126125.db2.gz XGQCWYHQJOWJCC-ZNMIVQPWSA-N 2 1 288.426 3.617 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H]2CCCC2(F)F)C[C@@H]1C ZINC000878163833 1125126130 /nfs/dbraw/zinc/12/61/30/1125126130.db2.gz XGQCWYHQJOWJCC-ZNMIVQPWSA-N 2 1 288.426 3.617 20 0 CHADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000392244968 1125142896 /nfs/dbraw/zinc/14/28/96/1125142896.db2.gz OVOLHBWIBLPULJ-UHFFFAOYSA-N 2 1 292.426 3.705 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+]C1CC([NH+]3CCCCC3)C1)[C@H](C)C2 ZINC000530424445 1125152785 /nfs/dbraw/zinc/15/27/85/1125152785.db2.gz WLFQICOZWALAOL-CNXCKVANSA-N 2 1 298.474 3.835 20 0 CHADMP CC(C)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000530469505 1125157126 /nfs/dbraw/zinc/15/71/26/1125157126.db2.gz GHHTZGYRBINPQQ-PKOBYXMFSA-N 2 1 286.463 3.533 20 0 CHADMP c1[nH+]c(C2CC[NH+](CCCC3CC3)CC2)n2c1CCCC2 ZINC000878528268 1125159509 /nfs/dbraw/zinc/15/95/09/1125159509.db2.gz MKFLLLYVLREOGJ-UHFFFAOYSA-N 2 1 287.451 3.589 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(Cl)c2)C[C@@H]1C ZINC000530662719 1125170799 /nfs/dbraw/zinc/17/07/99/1125170799.db2.gz JCGCAJGUAQNBJO-BBRMVZONSA-N 2 1 280.843 3.645 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(Cl)c2)C[C@@H]1C ZINC000530662719 1125170797 /nfs/dbraw/zinc/17/07/97/1125170797.db2.gz JCGCAJGUAQNBJO-BBRMVZONSA-N 2 1 280.843 3.645 20 0 CHADMP CCc1ccc(CC[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000530901507 1125185560 /nfs/dbraw/zinc/18/55/60/1125185560.db2.gz GNVRNFKHUQHJAC-APWZRJJASA-N 2 1 288.479 3.596 20 0 CHADMP CCc1ccc(CC[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)cc1 ZINC000530901507 1125185561 /nfs/dbraw/zinc/18/55/61/1125185561.db2.gz GNVRNFKHUQHJAC-APWZRJJASA-N 2 1 288.479 3.596 20 0 CHADMP CCc1ccc(CC[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)cc1 ZINC000530901507 1125185563 /nfs/dbraw/zinc/18/55/63/1125185563.db2.gz GNVRNFKHUQHJAC-APWZRJJASA-N 2 1 288.479 3.596 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]CCCC2CCCCC2)[C@@H](C)C1 ZINC000532195402 1125239973 /nfs/dbraw/zinc/23/99/73/1125239973.db2.gz IFQXFGYEMVHDMR-RDJZCZTQSA-N 2 1 266.473 3.667 20 0 CHADMP CC[C@H](C[NH2+][C@@H](CC)CCC(F)(F)F)[NH+]1CCCC1 ZINC000872020876 1125263166 /nfs/dbraw/zinc/26/31/66/1125263166.db2.gz KUNWKCFIBFSODA-QWHCGFSZSA-N 2 1 280.378 3.572 20 0 CHADMP c1ccc2cc(C[NH2+]C3CC[NH+](C4CC4)CC3)ccc2c1 ZINC000035054355 1125302326 /nfs/dbraw/zinc/30/23/26/1125302326.db2.gz GVTSDQPQTVYVCC-UHFFFAOYSA-N 2 1 280.415 3.556 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398074692 1125332198 /nfs/dbraw/zinc/33/21/98/1125332198.db2.gz FKIBUNUCSDWXIK-MJQMVNBJSA-N 2 1 288.479 3.921 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398074692 1125332200 /nfs/dbraw/zinc/33/22/00/1125332200.db2.gz FKIBUNUCSDWXIK-MJQMVNBJSA-N 2 1 288.479 3.921 20 0 CHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC1CC1 ZINC000398124848 1125335214 /nfs/dbraw/zinc/33/52/14/1125335214.db2.gz HXZMIBSSVMZHFT-QFBILLFUSA-N 2 1 286.463 3.677 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC1CC1 ZINC000398124848 1125335218 /nfs/dbraw/zinc/33/52/18/1125335218.db2.gz HXZMIBSSVMZHFT-QFBILLFUSA-N 2 1 286.463 3.677 20 0 CHADMP [NH3+][C@@H]1C[C@@H]([NH2+]C2(c3ccc(F)cc3)CCC2)c2ccccc21 ZINC000643467818 1125362666 /nfs/dbraw/zinc/36/26/66/1125362666.db2.gz UWNYIRSKXIJBDO-QZTJIDSGSA-N 2 1 296.389 3.939 20 0 CHADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)cc2OC)CC1 ZINC000037236929 1125364470 /nfs/dbraw/zinc/36/44/70/1125364470.db2.gz YQKRNAPQWBMLTK-HNNXBMFYSA-N 2 1 290.451 3.529 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC001168190729 1125370743 /nfs/dbraw/zinc/37/07/43/1125370743.db2.gz CTKPPPLOGNEJOQ-HNNXBMFYSA-N 2 1 296.886 3.935 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1sccc1Cl ZINC000883172170 1125375018 /nfs/dbraw/zinc/37/50/18/1125375018.db2.gz YPOUXWVGHHHSOM-FZMZJTMJSA-N 2 1 298.883 3.927 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1sccc1Cl ZINC000883172170 1125375020 /nfs/dbraw/zinc/37/50/20/1125375020.db2.gz YPOUXWVGHHHSOM-FZMZJTMJSA-N 2 1 298.883 3.927 20 0 CHADMP CC[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000532459620 1125392597 /nfs/dbraw/zinc/39/25/97/1125392597.db2.gz OFGZMISLUHCBMQ-CVEARBPZSA-N 2 1 274.452 3.807 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)CC[N@@H+]1C ZINC000532525291 1125408633 /nfs/dbraw/zinc/40/86/33/1125408633.db2.gz LIKUAXPAMFJZMH-BNEJOLLZSA-N 2 1 290.426 3.534 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)CC[N@H+]1C ZINC000532525291 1125408634 /nfs/dbraw/zinc/40/86/34/1125408634.db2.gz LIKUAXPAMFJZMH-BNEJOLLZSA-N 2 1 290.426 3.534 20 0 CHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3)CC[C@H]21 ZINC000532536503 1125409284 /nfs/dbraw/zinc/40/92/84/1125409284.db2.gz OAGMSUNIGKRZAT-WOJBJXKFSA-N 2 1 294.442 3.756 20 0 CHADMP CC(C)[N@@H+](C1CCC(C)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168205624 1125411843 /nfs/dbraw/zinc/41/18/43/1125411843.db2.gz HHXVBEJNRWMPQE-DHAXNPMCSA-N 2 1 252.446 3.545 20 0 CHADMP CC1CCC([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001168219512 1125418834 /nfs/dbraw/zinc/41/88/34/1125418834.db2.gz IHUDQYDWLSPBRK-JUNHRQJPSA-N 2 1 298.474 3.629 20 0 CHADMP CC1CCC([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001168219512 1125418835 /nfs/dbraw/zinc/41/88/35/1125418835.db2.gz IHUDQYDWLSPBRK-JUNHRQJPSA-N 2 1 298.474 3.629 20 0 CHADMP C[C@H]([NH2+]CCC[NH3+])c1ccc(Cl)c(Cl)c1Cl ZINC000037713763 1125428390 /nfs/dbraw/zinc/42/83/90/1125428390.db2.gz MRUATVDACOBTLZ-ZETCQYMHSA-N 2 1 281.614 3.646 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)Cc2csc3ccccc23)CC[N@@H+]1C ZINC000123778882 1125432974 /nfs/dbraw/zinc/43/29/74/1125432974.db2.gz CMQICMXTFKDIOH-ZFWWWQNUSA-N 2 1 288.460 3.816 20 0 CHADMP C[C@H]1C[C@@H]([NH+](C)Cc2csc3ccccc23)CC[N@H+]1C ZINC000123778882 1125432975 /nfs/dbraw/zinc/43/29/75/1125432975.db2.gz CMQICMXTFKDIOH-ZFWWWQNUSA-N 2 1 288.460 3.816 20 0 CHADMP C[C@H]1C[C@@H]([N@H+](C)Cc2csc3ccccc23)CC[NH+]1C ZINC000123778882 1125432978 /nfs/dbraw/zinc/43/29/78/1125432978.db2.gz CMQICMXTFKDIOH-ZFWWWQNUSA-N 2 1 288.460 3.816 20 0 CHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2csc3ccccc23)CC[NH+]1C ZINC000123778882 1125432979 /nfs/dbraw/zinc/43/29/79/1125432979.db2.gz CMQICMXTFKDIOH-ZFWWWQNUSA-N 2 1 288.460 3.816 20 0 CHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC[C@H]1CCC[C@H](C)C1 ZINC000348253933 1125441816 /nfs/dbraw/zinc/44/18/16/1125441816.db2.gz BLIWBWJTIJATNS-DOTOQJQBSA-N 2 1 277.456 3.730 20 0 CHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC[C@H]1CCC[C@H](C)C1 ZINC000348253933 1125441818 /nfs/dbraw/zinc/44/18/18/1125441818.db2.gz BLIWBWJTIJATNS-DOTOQJQBSA-N 2 1 277.456 3.730 20 0 CHADMP CCC[C@H](C)[C@H]1CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000125600967 1125450059 /nfs/dbraw/zinc/45/00/59/1125450059.db2.gz OMIYJBOXESSLOJ-DOTOQJQBSA-N 2 1 277.456 3.872 20 0 CHADMP CCC[C@H](C)[C@H]1CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000125600967 1125450061 /nfs/dbraw/zinc/45/00/61/1125450061.db2.gz OMIYJBOXESSLOJ-DOTOQJQBSA-N 2 1 277.456 3.872 20 0 CHADMP C[C@@H]([NH2+]CC1CC(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000621738403 1129188432 /nfs/dbraw/zinc/18/84/32/1129188432.db2.gz FVIXSYPALLGFJY-JGJLBUBWSA-N 2 1 286.463 3.533 20 0 CHADMP CC[N@@H+](c1ccc(N[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1)C(C)C ZINC000245612113 1129213998 /nfs/dbraw/zinc/21/39/98/1129213998.db2.gz KSEPUJAKGHNZSS-DOTOQJQBSA-N 2 1 289.467 3.816 20 0 CHADMP CC[N@H+](c1ccc(N[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1)C(C)C ZINC000245612113 1129214001 /nfs/dbraw/zinc/21/40/01/1129214001.db2.gz KSEPUJAKGHNZSS-DOTOQJQBSA-N 2 1 289.467 3.816 20 0 CHADMP CC[NH+](c1ccc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1)C(C)C ZINC000245612113 1129214003 /nfs/dbraw/zinc/21/40/03/1129214003.db2.gz KSEPUJAKGHNZSS-DOTOQJQBSA-N 2 1 289.467 3.816 20 0 CHADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(C)C ZINC000165322504 1129215278 /nfs/dbraw/zinc/21/52/78/1129215278.db2.gz KPPGEGUESRUZFD-RTBURBONSA-N 2 1 288.479 3.575 20 0 CHADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc(C)c1F ZINC000166407032 1129224246 /nfs/dbraw/zinc/22/42/46/1129224246.db2.gz VNILHATXDHFHCC-YCPHGPKFSA-N 2 1 278.415 3.576 20 0 CHADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc(C)c1F ZINC000166407032 1129224248 /nfs/dbraw/zinc/22/42/48/1129224248.db2.gz VNILHATXDHFHCC-YCPHGPKFSA-N 2 1 278.415 3.576 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3ncccc23)C[C@H]1C ZINC000638111124 1129243938 /nfs/dbraw/zinc/24/39/38/1129243938.db2.gz RIYXVLOEGZHUDD-NVXWUHKLSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3ncccc23)C[C@H]1C ZINC000638111124 1129243940 /nfs/dbraw/zinc/24/39/40/1129243940.db2.gz RIYXVLOEGZHUDD-NVXWUHKLSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3ncccc23)C[C@H]1C ZINC000638111124 1129243942 /nfs/dbraw/zinc/24/39/42/1129243942.db2.gz RIYXVLOEGZHUDD-NVXWUHKLSA-N 2 1 297.446 3.539 20 0 CHADMP c1ccc([C@@H]2C[C@@H]([NH2+]C3CCCC3)CC[N@H+]2C2CC2)cc1 ZINC000638287268 1129252892 /nfs/dbraw/zinc/25/28/92/1129252892.db2.gz WBPGVRDMRGVALO-HKUYNNGSSA-N 2 1 284.447 3.887 20 0 CHADMP c1ccc([C@@H]2C[C@@H]([NH2+]C3CCCC3)CC[N@@H+]2C2CC2)cc1 ZINC000638287268 1129252894 /nfs/dbraw/zinc/25/28/94/1129252894.db2.gz WBPGVRDMRGVALO-HKUYNNGSSA-N 2 1 284.447 3.887 20 0 CHADMP C1=CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638760991 1129269590 /nfs/dbraw/zinc/26/95/90/1129269590.db2.gz VBXOCDPBIIABCY-MJGOQNOKSA-N 2 1 282.431 3.663 20 0 CHADMP C1=CCC([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638760991 1129269591 /nfs/dbraw/zinc/26/95/91/1129269591.db2.gz VBXOCDPBIIABCY-MJGOQNOKSA-N 2 1 282.431 3.663 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccccc1C)C1CC1 ZINC000348066792 1129279259 /nfs/dbraw/zinc/27/92/59/1129279259.db2.gz CUKAMPRHINQOPB-UHFFFAOYSA-N 2 1 297.446 3.945 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccccc1C)C1CC1 ZINC000348066792 1129279262 /nfs/dbraw/zinc/27/92/62/1129279262.db2.gz CUKAMPRHINQOPB-UHFFFAOYSA-N 2 1 297.446 3.945 20 0 CHADMP C[C@H](F)CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639210583 1129292975 /nfs/dbraw/zinc/29/29/75/1129292975.db2.gz MWIVDHUNPXJRHE-QILLFSRXSA-N 2 1 290.426 3.692 20 0 CHADMP C[C@H](F)CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639210583 1129292977 /nfs/dbraw/zinc/29/29/77/1129292977.db2.gz MWIVDHUNPXJRHE-QILLFSRXSA-N 2 1 290.426 3.692 20 0 CHADMP CC[C@@H](CC(F)F)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534650 1129361277 /nfs/dbraw/zinc/36/12/77/1129361277.db2.gz RDILBWYHXDGTHR-HNNXBMFYSA-N 2 1 290.442 3.866 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206606311 1129381423 /nfs/dbraw/zinc/38/14/23/1129381423.db2.gz KDKVKLFNGQJVAA-DLBZAZTESA-N 2 1 266.473 3.820 20 0 CHADMP c1ccc([C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C2CCC2)cc1 ZINC000641771112 1129391444 /nfs/dbraw/zinc/39/14/44/1129391444.db2.gz XJXAMJNUJGTFJZ-DNVCBOLYSA-N 2 1 284.447 3.602 20 0 CHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000643369370 1129440991 /nfs/dbraw/zinc/44/09/91/1129440991.db2.gz KMFZKSGDUXRKHT-RTBURBONSA-N 2 1 286.463 3.595 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)s1 ZINC000643546265 1129445392 /nfs/dbraw/zinc/44/53/92/1129445392.db2.gz LMFDTHGYXDKXKC-WDEREUQCSA-N 2 1 284.856 3.727 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1Cl ZINC000643546812 1129445688 /nfs/dbraw/zinc/44/56/88/1129445688.db2.gz VGWSWKZJEVTOSW-STQMWFEESA-N 2 1 278.827 3.665 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@@H+]([C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000796042551 1129464924 /nfs/dbraw/zinc/46/49/24/1129464924.db2.gz VQFKVQVCAMXYAY-WBVHZDCISA-N 2 1 292.854 3.743 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@H+]([C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000796042551 1129464926 /nfs/dbraw/zinc/46/49/26/1129464926.db2.gz VQFKVQVCAMXYAY-WBVHZDCISA-N 2 1 292.854 3.743 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(C)(C)c2ccccc2)C1 ZINC000180486471 1129483259 /nfs/dbraw/zinc/48/32/59/1129483259.db2.gz PKMZTRQABPJQNL-QGZVFWFLSA-N 2 1 288.479 3.628 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]CCC2CCCC2)C[C@@H]1c1ccccc1 ZINC000645384103 1129496170 /nfs/dbraw/zinc/49/61/70/1129496170.db2.gz JUWQDGYPJCGHMO-RBUKOAKNSA-N 2 1 286.463 3.992 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CCC2CCCC2)C[C@@H]1c1ccccc1 ZINC000645384103 1129496171 /nfs/dbraw/zinc/49/61/71/1129496171.db2.gz JUWQDGYPJCGHMO-RBUKOAKNSA-N 2 1 286.463 3.992 20 0 CHADMP CCCCCC(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250813300 1129499518 /nfs/dbraw/zinc/49/95/18/1129499518.db2.gz IAUSLSVGPULCDN-HOTGVXAUSA-N 2 1 266.473 3.809 20 0 CHADMP CC1(C)CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000251118083 1129511055 /nfs/dbraw/zinc/51/10/55/1129511055.db2.gz DRSPGFJXWDYWST-JYJNAYRXSA-N 2 1 264.457 3.562 20 0 CHADMP CCC[C@H]1CCCC[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000796284155 1129513816 /nfs/dbraw/zinc/51/38/16/1129513816.db2.gz KBDGESDAXJLOLP-ZFWWWQNUSA-N 2 1 295.496 3.653 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]C1(c2ccccc2C)CC1 ZINC000645980378 1129516209 /nfs/dbraw/zinc/51/62/09/1129516209.db2.gz CWXDEXYKKXAVOG-UHFFFAOYSA-N 2 1 283.419 3.559 20 0 CHADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1csc(C)c1 ZINC000646128420 1129525512 /nfs/dbraw/zinc/52/55/12/1129525512.db2.gz CKDQAPQZYBXOAP-OAHLLOKOSA-N 2 1 277.437 3.692 20 0 CHADMP C[C@H]1C[C@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)CC(C)(C)C1 ZINC001258702425 1129528069 /nfs/dbraw/zinc/52/80/69/1129528069.db2.gz YHGNLRAFISAIFR-HOTGVXAUSA-N 2 1 278.484 3.619 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CCC1 ZINC000647196548 1129556121 /nfs/dbraw/zinc/55/61/21/1129556121.db2.gz DAWQQBPKGSFWHY-VQIMIIECSA-N 2 1 298.474 3.962 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CCC1 ZINC000647196548 1129556123 /nfs/dbraw/zinc/55/61/23/1129556123.db2.gz DAWQQBPKGSFWHY-VQIMIIECSA-N 2 1 298.474 3.962 20 0 CHADMP Cc1ccccc1C1([NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000647316210 1129566799 /nfs/dbraw/zinc/56/67/99/1129566799.db2.gz UWPLCKWJNBBJCE-UHFFFAOYSA-N 2 1 286.463 3.837 20 0 CHADMP Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000647479976 1129578448 /nfs/dbraw/zinc/57/84/48/1129578448.db2.gz ZMATZNWXOOHEHH-WBVHZDCISA-N 2 1 292.854 3.612 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000647479976 1129578452 /nfs/dbraw/zinc/57/84/52/1129578452.db2.gz ZMATZNWXOOHEHH-WBVHZDCISA-N 2 1 292.854 3.612 20 0 CHADMP CCCCOc1cccc(C[N@H+](CC)CCC[NH+](C)C)c1 ZINC001138957038 1129583080 /nfs/dbraw/zinc/58/30/80/1129583080.db2.gz WRKGWUFSIFMZDQ-UHFFFAOYSA-N 2 1 292.467 3.639 20 0 CHADMP CCCCOc1cccc(C[N@@H+](CC)CCC[NH+](C)C)c1 ZINC001138957038 1129583084 /nfs/dbraw/zinc/58/30/84/1129583084.db2.gz WRKGWUFSIFMZDQ-UHFFFAOYSA-N 2 1 292.467 3.639 20 0 CHADMP C[C@@H](c1ccc2ccccc2c1)[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000647882038 1129586794 /nfs/dbraw/zinc/58/67/94/1129586794.db2.gz DIKQETHSEWEPJB-JKSUJKDBSA-N 2 1 294.442 3.975 20 0 CHADMP Clc1ccccc1C[N@@H+](C[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000647884352 1129587052 /nfs/dbraw/zinc/58/70/52/1129587052.db2.gz GBKONUQSBKGTHJ-AWEZNQCLSA-N 2 1 292.854 3.694 20 0 CHADMP CC[C@H](c1ccccc1)[N@@H+](CC(C)C)C[C@H]1CC[NH2+]C1 ZINC000647884874 1129587159 /nfs/dbraw/zinc/58/71/59/1129587159.db2.gz CIASHRVMHJOPBL-FUHWJXTLSA-N 2 1 274.452 3.705 20 0 CHADMP C[C@@H](c1ccc2ccccc2c1)[N@@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000647882036 1129587175 /nfs/dbraw/zinc/58/71/75/1129587175.db2.gz DIKQETHSEWEPJB-HOTGVXAUSA-N 2 1 294.442 3.975 20 0 CHADMP CC(C)C[C@@H](C)C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000648068359 1129594815 /nfs/dbraw/zinc/59/48/15/1129594815.db2.gz UJPPSNYHOWIPBY-QRQLOZEOSA-N 2 1 288.479 3.604 20 0 CHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc2cnccc21 ZINC000183357636 1129624362 /nfs/dbraw/zinc/62/43/62/1129624362.db2.gz LFOKKGRYFNVKOA-SFHVURJKSA-N 2 1 297.446 3.541 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc2cnccc21 ZINC000183357636 1129624364 /nfs/dbraw/zinc/62/43/64/1129624364.db2.gz LFOKKGRYFNVKOA-SFHVURJKSA-N 2 1 297.446 3.541 20 0 CHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccc2cnccc21 ZINC000183357636 1129624366 /nfs/dbraw/zinc/62/43/66/1129624366.db2.gz LFOKKGRYFNVKOA-SFHVURJKSA-N 2 1 297.446 3.541 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000390792857 1129659060 /nfs/dbraw/zinc/65/90/60/1129659060.db2.gz XNWCVHBSSASXHP-LNLFQRSKSA-N 2 1 288.479 3.923 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000390792856 1129659274 /nfs/dbraw/zinc/65/92/74/1129659274.db2.gz XNWCVHBSSASXHP-JENIJYKNSA-N 2 1 288.479 3.923 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2ccccc2[C@H](C)C1 ZINC000649836069 1129681787 /nfs/dbraw/zinc/68/17/87/1129681787.db2.gz ZFYAGKZJFVQLTG-MRXNPFEDSA-N 2 1 297.446 3.634 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2ccccc2[C@H](C)C1 ZINC000649836069 1129681789 /nfs/dbraw/zinc/68/17/89/1129681789.db2.gz ZFYAGKZJFVQLTG-MRXNPFEDSA-N 2 1 297.446 3.634 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)CC(C)C)CC1 ZINC001169050543 1129692003 /nfs/dbraw/zinc/69/20/03/1129692003.db2.gz QETWDKXMAJXQEY-LJQANCHMSA-N 2 1 288.479 3.718 20 0 CHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)c(F)c1 ZINC001169097844 1129696323 /nfs/dbraw/zinc/69/63/23/1129696323.db2.gz CMNUBZBPLYLCBZ-ZRJCITRHSA-N 2 1 296.817 3.755 20 0 CHADMP Cc1c(C)n([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccc(C[NH3+])cc12 ZINC001169092905 1129696444 /nfs/dbraw/zinc/69/64/44/1129696444.db2.gz DSQVGVKKJYQYGK-FVQHAEBGSA-N 2 1 297.446 3.515 20 0 CHADMP CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(C)cc1 ZINC001169099323 1129696481 /nfs/dbraw/zinc/69/64/81/1129696481.db2.gz PTUGUJFWLZWPPQ-MHORFTMASA-N 2 1 272.436 3.661 20 0 CHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC001169094499 1129696909 /nfs/dbraw/zinc/69/69/09/1129696909.db2.gz LXPBAYLEKRELBB-MPESAESLSA-N 2 1 278.827 3.616 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](c1ccccc1)C(C)(C)C)C2 ZINC001169091437 1129699845 /nfs/dbraw/zinc/69/98/45/1129699845.db2.gz QZRFTRJSEVQFEP-ZJPYXAASSA-N 2 1 286.463 3.989 20 0 CHADMP CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)c(C)c1 ZINC001169119580 1129700606 /nfs/dbraw/zinc/70/06/06/1129700606.db2.gz UYNFAEPLQMHOHK-DFGXFYAUSA-N 2 1 290.426 3.800 20 0 CHADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(F)cc(F)c1 ZINC001169119560 1129700716 /nfs/dbraw/zinc/70/07/16/1129700716.db2.gz ULAMKJLVFQTSDV-YYIAUSFCSA-N 2 1 294.389 3.631 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCCCc3ccccc31)C2 ZINC001169122763 1129700731 /nfs/dbraw/zinc/70/07/31/1129700731.db2.gz CZSXDYNMWXVQAT-SFNKJDCFSA-N 2 1 284.447 3.669 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(C(C)(C)C)cc1)C2 ZINC001169090893 1129700864 /nfs/dbraw/zinc/70/08/64/1129700864.db2.gz NKJZKWCTRYBNOK-NNZMDNLPSA-N 2 1 286.463 3.699 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2 ZINC001169124370 1129701525 /nfs/dbraw/zinc/70/15/25/1129701525.db2.gz QNLAMVSBSRTBSE-VXIBKDFQSA-N 2 1 284.447 3.587 20 0 CHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H](Cc3ccccc3)C1)C2 ZINC001169139266 1129702317 /nfs/dbraw/zinc/70/23/17/1129702317.db2.gz AFNLRYQXRGNTRM-ZRNYENFQSA-N 2 1 298.474 3.566 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H](Cc3ccccc3)C1)C2 ZINC001169139266 1129702320 /nfs/dbraw/zinc/70/23/20/1129702320.db2.gz AFNLRYQXRGNTRM-ZRNYENFQSA-N 2 1 298.474 3.566 20 0 CHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H](Cc3ccccc3)C1)C2 ZINC001169139266 1129702321 /nfs/dbraw/zinc/70/23/21/1129702321.db2.gz AFNLRYQXRGNTRM-ZRNYENFQSA-N 2 1 298.474 3.566 20 0 CHADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(C)c(C)c1 ZINC001169107140 1129703532 /nfs/dbraw/zinc/70/35/32/1129703532.db2.gz DZFNYISYLPFCJE-FCGDIQPGSA-N 2 1 286.463 3.969 20 0 CHADMP CC[C@H](C)C1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169112740 1129703604 /nfs/dbraw/zinc/70/36/04/1129703604.db2.gz SEHVBHYHCIATIS-PVLWBWMXSA-N 2 1 278.484 3.806 20 0 CHADMP CCc1ccc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)[nH+]c1 ZINC001169149220 1129705339 /nfs/dbraw/zinc/70/53/39/1129705339.db2.gz YRFPZSNIOVCBCW-YOEHRIQHSA-N 2 1 275.440 3.600 20 0 CHADMP C[N@H+]([C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C)C(C)(C)Cc1ccccc1 ZINC001169155284 1129706188 /nfs/dbraw/zinc/70/61/88/1129706188.db2.gz MGYJDNHQYZOWSI-BCDXTJNWSA-N 2 1 286.463 3.565 20 0 CHADMP C[N@@H+]([C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C)C(C)(C)Cc1ccccc1 ZINC001169155284 1129706192 /nfs/dbraw/zinc/70/61/92/1129706192.db2.gz MGYJDNHQYZOWSI-BCDXTJNWSA-N 2 1 286.463 3.565 20 0 CHADMP C[NH+]([C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)(C)Cc1ccccc1 ZINC001169155284 1129706194 /nfs/dbraw/zinc/70/61/94/1129706194.db2.gz MGYJDNHQYZOWSI-BCDXTJNWSA-N 2 1 286.463 3.565 20 0 CHADMP C[NH+]([C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)Cc1ccccc1 ZINC001169155284 1129706197 /nfs/dbraw/zinc/70/61/97/1129706197.db2.gz MGYJDNHQYZOWSI-BCDXTJNWSA-N 2 1 286.463 3.565 20 0 CHADMP CCN1CCC([N@H+](Cc2ccccc2)CC(C)C)CC1 ZINC001169246749 1129712054 /nfs/dbraw/zinc/71/20/54/1129712054.db2.gz WDZGXRANCWHCSG-UHFFFAOYSA-N 2 1 274.452 3.629 20 0 CHADMP CC[NH+]1CCC([N@@H+](Cc2ccccc2)CC(C)C)CC1 ZINC001169246749 1129712056 /nfs/dbraw/zinc/71/20/56/1129712056.db2.gz WDZGXRANCWHCSG-UHFFFAOYSA-N 2 1 274.452 3.629 20 0 CHADMP CC[NH+]1CCC([N@H+](Cc2ccccc2)CC(C)C)CC1 ZINC001169246749 1129712058 /nfs/dbraw/zinc/71/20/58/1129712058.db2.gz WDZGXRANCWHCSG-UHFFFAOYSA-N 2 1 274.452 3.629 20 0 CHADMP C/C(=C\c1ccccc1)C[N@H+](C)CCC[NH+]1CCCCC1 ZINC001169243262 1129712165 /nfs/dbraw/zinc/71/21/65/1129712165.db2.gz MKABPOBRUKILEW-FBMGVBCBSA-N 2 1 286.463 3.898 20 0 CHADMP C/C(=C\c1ccccc1)C[N@@H+](C)CCC[NH+]1CCCCC1 ZINC001169243262 1129712167 /nfs/dbraw/zinc/71/21/67/1129712167.db2.gz MKABPOBRUKILEW-FBMGVBCBSA-N 2 1 286.463 3.898 20 0 CHADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(F)c(C)c1 ZINC001169241146 1129712342 /nfs/dbraw/zinc/71/23/42/1129712342.db2.gz IKNVLADYNHGARH-KRWDZBQOSA-N 2 1 278.415 3.659 20 0 CHADMP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cccn2c[nH+]cc12 ZINC001169689631 1129746765 /nfs/dbraw/zinc/74/67/65/1129746765.db2.gz GRKCKBRSYNGGPV-HNNXBMFYSA-N 2 1 292.386 3.574 20 0 CHADMP CC(C)C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000652151430 1129758924 /nfs/dbraw/zinc/75/89/24/1129758924.db2.gz SLWSAVXHLGMNOW-QAPCUYQASA-N 2 1 292.442 3.844 20 0 CHADMP Cc1cc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)o1 ZINC000767359412 1129788280 /nfs/dbraw/zinc/78/82/80/1129788280.db2.gz HOHAMCUUVYTJCI-GASCZTMLSA-N 2 1 292.467 3.744 20 0 CHADMP C[C@@H]([C@H](C)[NH2+]CCCc1c[nH+]cn1C)C1CCCCC1 ZINC000653614100 1129788758 /nfs/dbraw/zinc/78/87/58/1129788758.db2.gz NYTYEGQADFRFHN-GJZGRUSLSA-N 2 1 277.456 3.547 20 0 CHADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC000653777475 1129794988 /nfs/dbraw/zinc/79/49/88/1129794988.db2.gz NBVAQVUDWZKWEE-NVXWUHKLSA-N 2 1 289.467 3.501 20 0 CHADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC000653777475 1129794990 /nfs/dbraw/zinc/79/49/90/1129794990.db2.gz NBVAQVUDWZKWEE-NVXWUHKLSA-N 2 1 289.467 3.501 20 0 CHADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@H]2CCC[C@H](C)C2)CC1 ZINC001258824226 1129826901 /nfs/dbraw/zinc/82/69/01/1129826901.db2.gz RVYBTNNZQCCPHT-RDJZCZTQSA-N 2 1 266.473 3.617 20 0 CHADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)CC1 ZINC001258824224 1129827453 /nfs/dbraw/zinc/82/74/53/1129827453.db2.gz RVYBTNNZQCCPHT-DOTOQJQBSA-N 2 1 266.473 3.617 20 0 CHADMP C[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768197669 1129843495 /nfs/dbraw/zinc/84/34/95/1129843495.db2.gz LEVRLTOJBBVJQJ-MRXNPFEDSA-N 2 1 282.431 3.941 20 0 CHADMP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)CC2CCC2)CC1 ZINC001202791635 1129844029 /nfs/dbraw/zinc/84/40/29/1129844029.db2.gz BELOHUUVAYOOPG-UHFFFAOYSA-N 2 1 290.426 3.522 20 0 CHADMP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)CC2CCC2)CC1 ZINC001202791635 1129844031 /nfs/dbraw/zinc/84/40/31/1129844031.db2.gz BELOHUUVAYOOPG-UHFFFAOYSA-N 2 1 290.426 3.522 20 0 CHADMP CC[N@@H+](CCC[NH2+][C@@H]1C[C@@H]2CCC[C@H]12)C1CCCCC1 ZINC001206559789 1129856123 /nfs/dbraw/zinc/85/61/23/1129856123.db2.gz HCPOHFLVYLDXSV-RYQLBKOJSA-N 2 1 278.484 3.809 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C1CC(C(F)F)C1 ZINC000768710996 1129869300 /nfs/dbraw/zinc/86/93/00/1129869300.db2.gz DOVORJCUROPQOP-UHFFFAOYSA-N 2 1 296.405 3.660 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H](C)[NH2+][C@@H](C)C1)c1ccc(Cl)c(F)c1 ZINC001246213632 1131403312 /nfs/dbraw/zinc/40/33/12/1131403312.db2.gz RDUCQWDERYOHEL-GARJFASQSA-N 2 1 284.806 3.659 20 0 CHADMP C[C@@H](CC[NH2+]C1CC(C(F)F)C1)[N@@H+](C)Cc1ccccc1 ZINC000768699280 1129869573 /nfs/dbraw/zinc/86/95/73/1129869573.db2.gz ZNOROTVVXDBBNI-JEYLPNPQSA-N 2 1 296.405 3.530 20 0 CHADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC000769404596 1129907186 /nfs/dbraw/zinc/90/71/86/1129907186.db2.gz OYRIODIUSRWIDO-QGZVFWFLSA-N 2 1 294.442 3.737 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C(C)(C)C)s2)[C@H](C)C1 ZINC000769929144 1129933133 /nfs/dbraw/zinc/93/31/33/1129933133.db2.gz VTYVGKNDXJWWEO-UKRRQHHQSA-N 2 1 294.508 3.866 20 0 CHADMP C(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)CC1CCCC1 ZINC000903061150 1130106476 /nfs/dbraw/zinc/10/64/76/1130106476.db2.gz BQAZQXKDULYPRV-ZNXRZULTSA-N 2 1 276.468 3.704 20 0 CHADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903083788 1130109331 /nfs/dbraw/zinc/10/93/31/1130109331.db2.gz NPYLVVHUQASGKX-WQHGSSGSSA-N 2 1 296.458 3.730 20 0 CHADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1C[C@H]1C1CCCCC1)C2 ZINC000903122442 1130116171 /nfs/dbraw/zinc/11/61/71/1130116171.db2.gz YZHMNQKCYBFKML-FWCIAMDOSA-N 2 1 288.479 3.703 20 0 CHADMP CCCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCC1 ZINC000903126362 1130116694 /nfs/dbraw/zinc/11/66/94/1130116694.db2.gz QVTVMBSMXINWJJ-ZXFUBFMLSA-N 2 1 276.468 3.704 20 0 CHADMP C[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[C@H]1C ZINC000903153715 1130120287 /nfs/dbraw/zinc/12/02/87/1130120287.db2.gz RFYSNJGHFWPAKJ-IUKIWRMHSA-N 2 1 276.468 3.559 20 0 CHADMP CC1(C)CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903159184 1130120622 /nfs/dbraw/zinc/12/06/22/1130120622.db2.gz WLDKRTHKLXPIPK-ZBSSRIJBSA-N 2 1 276.468 3.703 20 0 CHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccsc1 ZINC000903166585 1130122636 /nfs/dbraw/zinc/12/26/36/1130122636.db2.gz SWGLGIHPHWTAPH-BPZRQAJTSA-N 2 1 276.449 3.557 20 0 CHADMP CC1(C)CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903177240 1130124997 /nfs/dbraw/zinc/12/49/97/1130124997.db2.gz JDNGJHZPWBRGAZ-YTTRVJOFSA-N 2 1 276.468 3.560 20 0 CHADMP CC[C@@H]1CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903179047 1130125081 /nfs/dbraw/zinc/12/50/81/1130125081.db2.gz LRSWANPHSQTBIR-XILPPMENSA-N 2 1 276.468 3.560 20 0 CHADMP CC(C)c1ccccc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001239866373 1130141181 /nfs/dbraw/zinc/14/11/81/1130141181.db2.gz HCQRWCYLPSVEDQ-UHFFFAOYSA-N 2 1 291.398 3.812 20 0 CHADMP C[N@H+](Cc1cccc(Cl)c1Cl)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903425928 1130175018 /nfs/dbraw/zinc/17/50/18/1130175018.db2.gz AVRMCZVTKQVMIW-PWSUYJOCSA-N 2 1 287.234 3.553 20 0 CHADMP C[N@H+]1CCCC[C@H]1c1ccc(-c2ccc3nccn3c2)nc1 ZINC001240217539 1130235651 /nfs/dbraw/zinc/23/56/51/1130235651.db2.gz QFGDHPVHSQRBSK-KRWDZBQOSA-N 2 1 292.386 3.553 20 0 CHADMP Cc1c(Cl)ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1F ZINC001206036774 1130254523 /nfs/dbraw/zinc/25/45/23/1130254523.db2.gz PVYQVPFSPFEVNG-AAEUAGOBSA-N 2 1 298.833 3.594 20 0 CHADMP C[C@H]1CC[C@H]([NH+]2CCC([NH3+])(c3ccccc3Cl)CC2)C1 ZINC001170122988 1130283723 /nfs/dbraw/zinc/28/37/23/1130283723.db2.gz RJMWZHRXXKCZQM-KBPBESRZSA-N 2 1 292.854 3.778 20 0 CHADMP C[C@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3ccccc3Cl)CC2)C1 ZINC001170122990 1130283774 /nfs/dbraw/zinc/28/37/74/1130283774.db2.gz RJMWZHRXXKCZQM-UONOGXRCSA-N 2 1 292.854 3.778 20 0 CHADMP c1ccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CCCC2)cc1 ZINC000677236718 1130296293 /nfs/dbraw/zinc/29/62/93/1130296293.db2.gz UBWTZMQOQRQTJW-OALUTQOASA-N 2 1 298.474 3.715 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C2CCCC2)CC1 ZINC000678079498 1130348424 /nfs/dbraw/zinc/34/84/24/1130348424.db2.gz ZCVHLSWBYCLUCW-UHFFFAOYSA-N 2 1 289.467 3.874 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000678079006 1130349269 /nfs/dbraw/zinc/34/92/69/1130349269.db2.gz LHRZXLYJLXCGBS-KRWDZBQOSA-N 2 1 287.382 3.558 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000678079006 1130349273 /nfs/dbraw/zinc/34/92/73/1130349273.db2.gz LHRZXLYJLXCGBS-KRWDZBQOSA-N 2 1 287.382 3.558 20 0 CHADMP C[C@@H]1CC[C@H]([N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)C1 ZINC001170153324 1130362670 /nfs/dbraw/zinc/36/26/70/1130362670.db2.gz ZYPCEPXGEZDFTH-QZWWFDLISA-N 2 1 264.457 3.514 20 0 CHADMP C[C@@H]1CC[C@H]([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)C1 ZINC001170153324 1130362672 /nfs/dbraw/zinc/36/26/72/1130362672.db2.gz ZYPCEPXGEZDFTH-QZWWFDLISA-N 2 1 264.457 3.514 20 0 CHADMP C[C@@H]1CC[C@H]([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)C1 ZINC001170153324 1130362676 /nfs/dbraw/zinc/36/26/76/1130362676.db2.gz ZYPCEPXGEZDFTH-QZWWFDLISA-N 2 1 264.457 3.514 20 0 CHADMP C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)C1 ZINC001170153328 1130363542 /nfs/dbraw/zinc/36/35/42/1130363542.db2.gz ZYPCEPXGEZDFTH-YYIAUSFCSA-N 2 1 264.457 3.514 20 0 CHADMP C[C@@H]1CC[C@@H]([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)C1 ZINC001170153328 1130363549 /nfs/dbraw/zinc/36/35/49/1130363549.db2.gz ZYPCEPXGEZDFTH-YYIAUSFCSA-N 2 1 264.457 3.514 20 0 CHADMP C[C@@H]1CC[C@@H]([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)C1 ZINC001170153328 1130363556 /nfs/dbraw/zinc/36/35/56/1130363556.db2.gz ZYPCEPXGEZDFTH-YYIAUSFCSA-N 2 1 264.457 3.514 20 0 CHADMP CC[N@@H+](CCC(F)(F)F)Cc1ccc(C[NH+](C)C)cc1 ZINC000678222603 1130373842 /nfs/dbraw/zinc/37/38/42/1130373842.db2.gz QIRFMLXYUDZTQO-UHFFFAOYSA-N 2 1 288.357 3.523 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2C2CC2)[C@@H](C)C1 ZINC000678277433 1130389411 /nfs/dbraw/zinc/38/94/11/1130389411.db2.gz JHNNTKUKKZQPPB-HNAYVOBHSA-N 2 1 286.463 3.726 20 0 CHADMP CC[N@H+]1CC[C@@H](N(C)Cc2nccc3ccccc32)C[C@@H]1C ZINC000678277346 1130389586 /nfs/dbraw/zinc/38/95/86/1130389586.db2.gz SSYVBSDOHUPUDJ-DOTOQJQBSA-N 2 1 297.446 3.539 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nccc3ccccc32)C[C@@H]1C ZINC000678277346 1130389592 /nfs/dbraw/zinc/38/95/92/1130389592.db2.gz SSYVBSDOHUPUDJ-DOTOQJQBSA-N 2 1 297.446 3.539 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nccc3ccccc32)C[C@@H]1C ZINC000678277346 1130389599 /nfs/dbraw/zinc/38/95/99/1130389599.db2.gz SSYVBSDOHUPUDJ-DOTOQJQBSA-N 2 1 297.446 3.539 20 0 CHADMP c1ccc(C2CC2)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000678281438 1130391372 /nfs/dbraw/zinc/39/13/72/1130391372.db2.gz PKCWXZFMVKGBGV-KRWDZBQOSA-N 2 1 298.474 3.872 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c(C)n1 ZINC000678411432 1130412298 /nfs/dbraw/zinc/41/22/98/1130412298.db2.gz CYERXMHBBNECCY-HZPDHXFCSA-N 2 1 289.467 3.614 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c(C)n1 ZINC000678411432 1130412300 /nfs/dbraw/zinc/41/23/00/1130412300.db2.gz CYERXMHBBNECCY-HZPDHXFCSA-N 2 1 289.467 3.614 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1c2ccccc2CC[C@@H]1C ZINC000678771490 1130452616 /nfs/dbraw/zinc/45/26/16/1130452616.db2.gz VXYCWTXWOCRYNN-KXBFYZLASA-N 2 1 297.446 3.885 20 0 CHADMP CC[C@@H]1C[C@@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170197474 1130461749 /nfs/dbraw/zinc/46/17/49/1130461749.db2.gz XAYZPZXSCTTXPU-LUKYLMHMSA-N 2 1 296.499 3.562 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)[C@H](C)Cc1ccccc1Cl ZINC001170294379 1130475264 /nfs/dbraw/zinc/47/52/64/1130475264.db2.gz PKEGJCBBZVKIPU-OAHLLOKOSA-N 2 1 296.886 3.935 20 0 CHADMP CCCCCCc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC001234981873 1130700466 /nfs/dbraw/zinc/70/04/66/1130700466.db2.gz PKYKPTGJOIDXOQ-GASCZTMLSA-N 2 1 292.492 3.522 20 0 CHADMP c1ccc(C2(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)CCCC2)cc1 ZINC001234993465 1130701382 /nfs/dbraw/zinc/70/13/82/1130701382.db2.gz NYVRNYDMXQHHHD-IBGZPJMESA-N 2 1 298.474 3.574 20 0 CHADMP Cc1ccc(Cl)cc1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235038981 1130704179 /nfs/dbraw/zinc/70/41/79/1130704179.db2.gz LVSXPAIWWORHHQ-QGZVFWFLSA-N 2 1 292.854 3.757 20 0 CHADMP Cc1ccc(Cl)cc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235038981 1130704186 /nfs/dbraw/zinc/70/41/86/1130704186.db2.gz LVSXPAIWWORHHQ-QGZVFWFLSA-N 2 1 292.854 3.757 20 0 CHADMP Cc1cc(F)cc(C)c1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235038392 1130704620 /nfs/dbraw/zinc/70/46/20/1130704620.db2.gz IYIMADSRNCFDSN-SFHVURJKSA-N 2 1 290.426 3.551 20 0 CHADMP Cc1c(Cl)cccc1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235041308 1130705007 /nfs/dbraw/zinc/70/50/07/1130705007.db2.gz YROIDOKRCVYGCT-QGZVFWFLSA-N 2 1 292.854 3.757 20 0 CHADMP Cc1c(Cl)cccc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235041308 1130705010 /nfs/dbraw/zinc/70/50/10/1130705010.db2.gz YROIDOKRCVYGCT-QGZVFWFLSA-N 2 1 292.854 3.757 20 0 CHADMP CSc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1 ZINC001235038281 1130705448 /nfs/dbraw/zinc/70/54/48/1130705448.db2.gz FKZAKQCHKRXRQP-QGZVFWFLSA-N 2 1 290.476 3.517 20 0 CHADMP Cc1cc(C)c(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1C ZINC001235042354 1130705655 /nfs/dbraw/zinc/70/56/55/1130705655.db2.gz AVMVPEBWLVCSBN-IBGZPJMESA-N 2 1 286.463 3.720 20 0 CHADMP CC1(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)CCCCC1 ZINC001235042176 1130705937 /nfs/dbraw/zinc/70/59/37/1130705937.db2.gz VFFFEIUIQULDGE-KRWDZBQOSA-N 2 1 264.457 3.565 20 0 CHADMP CC(C)=CCC[C@@H](C)C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235124284 1130713858 /nfs/dbraw/zinc/71/38/58/1130713858.db2.gz LNLMYXFARITYKD-SJORKVTESA-N 2 1 264.457 3.587 20 0 CHADMP Cc1ccc(C)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235152590 1130714402 /nfs/dbraw/zinc/71/44/02/1130714402.db2.gz OOXGKCPEYSNWGG-IBGZPJMESA-N 2 1 286.463 3.658 20 0 CHADMP Clc1cccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235159177 1130715656 /nfs/dbraw/zinc/71/56/56/1130715656.db2.gz VXSLYINHBKHSAG-KRWDZBQOSA-N 2 1 292.854 3.694 20 0 CHADMP C(CC1CCCC1)C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235153179 1130715999 /nfs/dbraw/zinc/71/59/99/1130715999.db2.gz QIXMWYDMDWRHBV-SFHVURJKSA-N 2 1 278.484 3.811 20 0 CHADMP CCc1ccccc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235159798 1130716031 /nfs/dbraw/zinc/71/60/31/1130716031.db2.gz ORGDATCUDXAOOJ-LJQANCHMSA-N 2 1 286.463 3.603 20 0 CHADMP Cc1cc(CN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)o1 ZINC000781417445 1130716391 /nfs/dbraw/zinc/71/63/91/1130716391.db2.gz VFJPGZBQMIGZFB-HOCLYGCPSA-N 2 1 290.451 3.639 20 0 CHADMP Cc1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)o1 ZINC000781417445 1130716397 /nfs/dbraw/zinc/71/63/97/1130716397.db2.gz VFJPGZBQMIGZFB-HOCLYGCPSA-N 2 1 290.451 3.639 20 0 CHADMP Cc1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)o1 ZINC000781417445 1130716402 /nfs/dbraw/zinc/71/64/02/1130716402.db2.gz VFJPGZBQMIGZFB-HOCLYGCPSA-N 2 1 290.451 3.639 20 0 CHADMP Clc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)s1 ZINC001235153347 1130716598 /nfs/dbraw/zinc/71/65/98/1130716598.db2.gz JQZSYNLASRRVGL-AWEZNQCLSA-N 2 1 298.883 3.756 20 0 CHADMP Cc1c(Cl)cccc1C[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001235191238 1130720601 /nfs/dbraw/zinc/72/06/01/1130720601.db2.gz OUXIJERTJHAETD-UHFFFAOYSA-N 2 1 292.854 3.757 20 0 CHADMP Cc1c(Cl)cccc1C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235191238 1130720604 /nfs/dbraw/zinc/72/06/04/1130720604.db2.gz OUXIJERTJHAETD-UHFFFAOYSA-N 2 1 292.854 3.757 20 0 CHADMP CSc1ccc(C[N@H+]2CCCCC23CC[NH2+]CC3)cc1 ZINC001235191069 1130720840 /nfs/dbraw/zinc/72/08/40/1130720840.db2.gz PGLWTRCMHUVULV-UHFFFAOYSA-N 2 1 290.476 3.517 20 0 CHADMP Cc1ccc(Cl)c(C[N@@H+]2CCCCC23CC[NH2+]CC3)c1 ZINC001235190095 1130720912 /nfs/dbraw/zinc/72/09/12/1130720912.db2.gz DCCXCAHSNCJMPH-UHFFFAOYSA-N 2 1 292.854 3.757 20 0 CHADMP Cc1ccc(Cl)c(C[N@H+]2CCCCC23CC[NH2+]CC3)c1 ZINC001235190095 1130720917 /nfs/dbraw/zinc/72/09/17/1130720917.db2.gz DCCXCAHSNCJMPH-UHFFFAOYSA-N 2 1 292.854 3.757 20 0 CHADMP CC(C)CCC[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235248723 1130726800 /nfs/dbraw/zinc/72/68/00/1130726800.db2.gz ZGKASBFKPDFBAV-RTBURBONSA-N 2 1 286.463 3.644 20 0 CHADMP CC(C)CCC[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235248723 1130726807 /nfs/dbraw/zinc/72/68/07/1130726807.db2.gz ZGKASBFKPDFBAV-RTBURBONSA-N 2 1 286.463 3.644 20 0 CHADMP c1csc(-c2ccccc2C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC001235276610 1130731439 /nfs/dbraw/zinc/73/14/39/1130731439.db2.gz ZRFPDIFIAUMNSJ-DOTOQJQBSA-N 2 1 298.455 3.599 20 0 CHADMP CCC(CC)C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235348218 1130735596 /nfs/dbraw/zinc/73/55/96/1130735596.db2.gz DHJJCNSAGLMAQS-RTBURBONSA-N 2 1 286.463 3.502 20 0 CHADMP c1ccc(C2CC2)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235423687 1130742119 /nfs/dbraw/zinc/74/21/19/1130742119.db2.gz GIJFURSBNYMXGW-ROUUACIJSA-N 2 1 298.474 3.776 20 0 CHADMP C[C@H](C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC001235422588 1130742216 /nfs/dbraw/zinc/74/22/16/1130742216.db2.gz CTKNXKAOZIEMOO-NZSAHSFTSA-N 2 1 286.463 3.502 20 0 CHADMP C[C@H](C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC001235422579 1130742568 /nfs/dbraw/zinc/74/25/68/1130742568.db2.gz CTKNXKAOZIEMOO-BHIYHBOVSA-N 2 1 286.463 3.502 20 0 CHADMP Cc1ccccc1[C@H]1CCC[N@H+]1CC1(C)CC[NH2+]CC1 ZINC001235439087 1130743047 /nfs/dbraw/zinc/74/30/47/1130743047.db2.gz AYVOBDIFRLNTOL-QGZVFWFLSA-N 2 1 272.436 3.522 20 0 CHADMP CCCC[N@@H+](CCC12CC([NH3+])(C1)C2)Cc1ccccc1 ZINC001235664740 1130763571 /nfs/dbraw/zinc/76/35/71/1130763571.db2.gz UVINFRJBESCAGY-UHFFFAOYSA-N 2 1 272.436 3.560 20 0 CHADMP CC(C)c1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)ccc1Cl ZINC001235675905 1130766504 /nfs/dbraw/zinc/76/65/04/1130766504.db2.gz NIFOFWLOXQIBID-CQSZACIVSA-N 2 1 280.843 3.634 20 0 CHADMP CC(C)c1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)ccc1Cl ZINC001235675905 1130766508 /nfs/dbraw/zinc/76/65/08/1130766508.db2.gz NIFOFWLOXQIBID-CQSZACIVSA-N 2 1 280.843 3.634 20 0 CHADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc2cccccc1-2 ZINC001235718339 1130773034 /nfs/dbraw/zinc/77/30/34/1130773034.db2.gz YWFYBKTVOYHPOE-UHFFFAOYSA-N 2 1 282.431 3.613 20 0 CHADMP Fc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)C[NH2+]C2 ZINC001235719028 1130774119 /nfs/dbraw/zinc/77/41/19/1130774119.db2.gz QNPHWTUQNFQZOC-IBGZPJMESA-N 2 1 296.389 3.766 20 0 CHADMP C[NH2+]C1CC[NH+](Cc2cccc(-c3ccsc3)c2)CC1 ZINC001235788567 1130777849 /nfs/dbraw/zinc/77/78/49/1130777849.db2.gz IWSSOOJEDCGYBS-UHFFFAOYSA-N 2 1 286.444 3.599 20 0 CHADMP Clc1ccc([C@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)s1 ZINC001235838908 1130785158 /nfs/dbraw/zinc/78/51/58/1130785158.db2.gz FDDJPJDRIZDQCN-CYBMUJFWSA-N 2 1 298.883 3.928 20 0 CHADMP C[N@H+](Cc1cccc(-c2ccc(F)cc2)c1)C[C@H]1CC[NH2+]C1 ZINC001235841688 1130786372 /nfs/dbraw/zinc/78/63/72/1130786372.db2.gz HJSDLWYRLBICJU-INIZCTEOSA-N 2 1 298.405 3.534 20 0 CHADMP C[N@H+](Cc1cccc(Oc2ccccc2)c1)C[C@H]1CC[NH2+]C1 ZINC001235841903 1130786500 /nfs/dbraw/zinc/78/65/00/1130786500.db2.gz JQYSMHYBTGHUJQ-KRWDZBQOSA-N 2 1 296.414 3.520 20 0 CHADMP C[N@H+](Cc1ccc(C2CCCCC2)cc1)C[C@@H]1CC[NH2+]C1 ZINC001235840467 1130786536 /nfs/dbraw/zinc/78/65/36/1130786536.db2.gz MEYBTMMFHVEHEY-QGZVFWFLSA-N 2 1 286.463 3.776 20 0 CHADMP C[N@H+](Cc1cccc(Oc2ccccc2)c1)C[C@@H]1CC[NH2+]C1 ZINC001235841904 1130787168 /nfs/dbraw/zinc/78/71/68/1130787168.db2.gz JQYSMHYBTGHUJQ-QGZVFWFLSA-N 2 1 296.414 3.520 20 0 CHADMP C[N@H+](Cc1ccc2oc3ccccc3c2c1)C[C@H]1CC[NH2+]C1 ZINC001235842347 1130787563 /nfs/dbraw/zinc/78/75/63/1130787563.db2.gz OGXBGLOLJAWLJY-HNNXBMFYSA-N 2 1 294.398 3.627 20 0 CHADMP c1c(C[N@H+]2CCC[C@H]3CCCC[C@H]32)sc2c1CC[NH2+]C2 ZINC001235867426 1130790497 /nfs/dbraw/zinc/79/04/97/1130790497.db2.gz PTUDPGUPCQQUHH-CZUORRHYSA-N 2 1 290.476 3.548 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@H+]1C[C@@H]([NH3+])CC[C@H]1C ZINC001235900788 1130798651 /nfs/dbraw/zinc/79/86/51/1130798651.db2.gz BTPLTPBMGMELBA-AEFFLSMTSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1ccccc1-c1ccccc1C[N@@H+]1C[C@@H]([NH3+])CC[C@H]1C ZINC001235900788 1130798655 /nfs/dbraw/zinc/79/86/55/1130798655.db2.gz BTPLTPBMGMELBA-AEFFLSMTSA-N 2 1 294.442 3.974 20 0 CHADMP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001235903035 1130801334 /nfs/dbraw/zinc/80/13/34/1130801334.db2.gz ICTVNXUURZKSRQ-LIRRHRJNSA-N 2 1 298.405 3.804 20 0 CHADMP C[C@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001235903035 1130801339 /nfs/dbraw/zinc/80/13/39/1130801339.db2.gz ICTVNXUURZKSRQ-LIRRHRJNSA-N 2 1 298.405 3.804 20 0 CHADMP Cc1c(C)c(C)c(C[N@H+]2C[C@H]([NH3+])CC[C@@H]2C)c(C)c1C ZINC001235905050 1130801475 /nfs/dbraw/zinc/80/14/75/1130801475.db2.gz KPAJBFSCOJQOMK-APPDUMDISA-N 2 1 274.452 3.540 20 0 CHADMP Cc1c(C)c(C)c(C[N@@H+]2C[C@H]([NH3+])CC[C@@H]2C)c(C)c1C ZINC001235905050 1130801482 /nfs/dbraw/zinc/80/14/82/1130801482.db2.gz KPAJBFSCOJQOMK-APPDUMDISA-N 2 1 274.452 3.540 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@@H]([NH3+])CC[C@@H]3C)cc2)cc1 ZINC001235909040 1130803402 /nfs/dbraw/zinc/80/34/02/1130803402.db2.gz YUSLWVCFDCSTLJ-JXFKEZNVSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@@H]([NH3+])CC[C@@H]3C)cc2)cc1 ZINC001235909040 1130803407 /nfs/dbraw/zinc/80/34/07/1130803407.db2.gz YUSLWVCFDCSTLJ-JXFKEZNVSA-N 2 1 294.442 3.974 20 0 CHADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001235925965 1130805941 /nfs/dbraw/zinc/80/59/41/1130805941.db2.gz UGOWJDHINQCNIC-SFHVURJKSA-N 2 1 298.405 3.806 20 0 CHADMP COCCC[N@@H+](CC[C@H](C)CC(C)(C)C)C1CC[NH2+]CC1 ZINC001235937824 1130810785 /nfs/dbraw/zinc/81/07/85/1130810785.db2.gz RCYLHDHXNQDRDP-INIZCTEOSA-N 2 1 298.515 3.539 20 0 CHADMP [NH3+]CCCCC[N@H+]1CCSC[C@H]1c1cccc(Cl)c1 ZINC001235946710 1130812191 /nfs/dbraw/zinc/81/21/91/1130812191.db2.gz QFIMWZHVHYYZSI-HNNXBMFYSA-N 2 1 298.883 3.559 20 0 CHADMP CC(C)[N@H+](CC[NH3+])Cc1cccc(-c2ccccc2)c1 ZINC001235946917 1130812298 /nfs/dbraw/zinc/81/22/98/1130812298.db2.gz CWPKJQKSXMBEFN-UHFFFAOYSA-N 2 1 268.404 3.523 20 0 CHADMP CC(C)[N@@H+](CC[NH3+])Cc1cccc(-c2ccccc2)c1 ZINC001235946917 1130812304 /nfs/dbraw/zinc/81/23/04/1130812304.db2.gz CWPKJQKSXMBEFN-UHFFFAOYSA-N 2 1 268.404 3.523 20 0 CHADMP c1cc2c(cc1C[N@H+]1CC[C@H](C3CCCCC3)C1)C[NH2+]CC2 ZINC001235949295 1130814483 /nfs/dbraw/zinc/81/44/83/1130814483.db2.gz CWOZKNKTAGMTOZ-IBGZPJMESA-N 2 1 298.474 3.735 20 0 CHADMP Clc1cccc([C@@H]2CC[N@H+](CC[C@H]3CCCC[NH2+]3)C2)c1 ZINC001235949732 1130815360 /nfs/dbraw/zinc/81/53/60/1130815360.db2.gz GULXIZPKMFKEJU-NVXWUHKLSA-N 2 1 292.854 3.662 20 0 CHADMP Clc1cccc([C@@H]2CC[N@@H+](CC[C@H]3CCCC[NH2+]3)C2)c1 ZINC001235949732 1130815368 /nfs/dbraw/zinc/81/53/68/1130815368.db2.gz GULXIZPKMFKEJU-NVXWUHKLSA-N 2 1 292.854 3.662 20 0 CHADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc(-c3ccccc3)cc1)C2 ZINC001235958687 1130816736 /nfs/dbraw/zinc/81/67/36/1130816736.db2.gz IIESDKCWMZZCKA-ACDBMABISA-N 2 1 292.426 3.523 20 0 CHADMP CC[C@H]1CO[C@](C)(CCC(C)C)[N@H+]1CCC12CC([NH3+])(C1)C2 ZINC001235962208 1130818468 /nfs/dbraw/zinc/81/84/68/1130818468.db2.gz MRANZFBWEXNNSX-KNXWPPODSA-N 2 1 294.483 3.521 20 0 CHADMP C[N@@H+](C/C=C/c1ccccc1)Cc1cc2c(s1)C[NH2+]CC2 ZINC001235963787 1130820247 /nfs/dbraw/zinc/82/02/47/1130820247.db2.gz VFOUBBVNLXFSJY-VMPITWQZSA-N 2 1 298.455 3.539 20 0 CHADMP CC[N@H+](Cc1ccccc1-c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236006981 1130830611 /nfs/dbraw/zinc/83/06/11/1130830611.db2.gz LTKNYMZNQOBIKG-LJQANCHMSA-N 2 1 294.442 3.928 20 0 CHADMP CC[N@@H+](Cc1ccccc1-c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236006981 1130830619 /nfs/dbraw/zinc/83/06/19/1130830619.db2.gz LTKNYMZNQOBIKG-LJQANCHMSA-N 2 1 294.442 3.928 20 0 CHADMP CC[N@H+](CCC[NH2+]C1CCCCC1)Cc1cccc(F)c1 ZINC001236042031 1130835237 /nfs/dbraw/zinc/83/52/37/1130835237.db2.gz KYOLTEMTASQUGF-UHFFFAOYSA-N 2 1 292.442 3.960 20 0 CHADMP CC[N@@H+](CCC[NH2+]C1CCCCC1)Cc1cccc(F)c1 ZINC001236042031 1130835242 /nfs/dbraw/zinc/83/52/42/1130835242.db2.gz KYOLTEMTASQUGF-UHFFFAOYSA-N 2 1 292.442 3.960 20 0 CHADMP CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cccc(C[NH3+])c1 ZINC001236059743 1130842740 /nfs/dbraw/zinc/84/27/40/1130842740.db2.gz KQIOANRMOOTCBD-LJQANCHMSA-N 2 1 280.415 3.655 20 0 CHADMP CC[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC001236059377 1130843646 /nfs/dbraw/zinc/84/36/46/1130843646.db2.gz GXDZQJUCCHZNMM-IBGZPJMESA-N 2 1 280.415 3.655 20 0 CHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(C)c3)cc2)C1 ZINC001236066838 1130846046 /nfs/dbraw/zinc/84/60/46/1130846046.db2.gz LNQCOUNYWZEFQV-SFHVURJKSA-N 2 1 294.442 3.703 20 0 CHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001236067665 1130846203 /nfs/dbraw/zinc/84/62/03/1130846203.db2.gz SIZYVNFIMLEOLL-MRXNPFEDSA-N 2 1 298.405 3.534 20 0 CHADMP CC1(C)C[N@@H+](Cc2ccc3c(c2)C[NH2+]C3)Cc2ccccc21 ZINC001236084485 1130852849 /nfs/dbraw/zinc/85/28/49/1130852849.db2.gz AGYBKVNNIPGSKZ-UHFFFAOYSA-N 2 1 292.426 3.583 20 0 CHADMP C[N@@H+](CCCC[NH3+])Cc1ccc(-c2cccs2)cc1 ZINC001236141049 1130874832 /nfs/dbraw/zinc/87/48/32/1130874832.db2.gz DOMIDDPFLLJGES-UHFFFAOYSA-N 2 1 274.433 3.586 20 0 CHADMP CCC[N@H+](Cc1cc(C)ccc1Cl)C1CC[NH2+]CC1 ZINC001236185051 1130882168 /nfs/dbraw/zinc/88/21/68/1130882168.db2.gz UPKYYWBHQDLCPW-UHFFFAOYSA-N 2 1 280.843 3.612 20 0 CHADMP CCC[N@@H+](Cc1cc(C)ccc1Cl)C1CC[NH2+]CC1 ZINC001236185051 1130882178 /nfs/dbraw/zinc/88/21/78/1130882178.db2.gz UPKYYWBHQDLCPW-UHFFFAOYSA-N 2 1 280.843 3.612 20 0 CHADMP c1[nH]c2ccccc2c1[C@H]1CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001236191091 1130883391 /nfs/dbraw/zinc/88/33/91/1130883391.db2.gz KEHJJUAWNMXUHN-DNVCBOLYSA-N 2 1 297.446 3.695 20 0 CHADMP C[N@H+](Cc1cccc2c(F)cccc12)[C@@]1(C)CCC[NH2+]C1 ZINC001236207019 1130886714 /nfs/dbraw/zinc/88/67/14/1130886714.db2.gz NAVUHIHYFMMBHE-SFHVURJKSA-N 2 1 286.394 3.553 20 0 CHADMP C[N@@H+](Cc1cccc2c(F)cccc12)[C@@]1(C)CCC[NH2+]C1 ZINC001236207019 1130886719 /nfs/dbraw/zinc/88/67/19/1130886719.db2.gz NAVUHIHYFMMBHE-SFHVURJKSA-N 2 1 286.394 3.553 20 0 CHADMP C[NH2+]C1CCC([N@@H+](C)Cc2cccc3c2CCCC3)CC1 ZINC001236214388 1130890492 /nfs/dbraw/zinc/89/04/92/1130890492.db2.gz CUBZDHMYTLGNOK-UHFFFAOYSA-N 2 1 286.463 3.528 20 0 CHADMP C[N@H+](Cc1c[nH]c2ccc(Cl)cc12)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236212956 1130890543 /nfs/dbraw/zinc/89/05/43/1130890543.db2.gz MWCLREHYNDGFBT-HOCLYGCPSA-N 2 1 291.826 3.523 20 0 CHADMP C[N@@H+](Cc1c[nH]c2ccc(Cl)cc12)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236212956 1130890549 /nfs/dbraw/zinc/89/05/49/1130890549.db2.gz MWCLREHYNDGFBT-HOCLYGCPSA-N 2 1 291.826 3.523 20 0 CHADMP C[N@H+](Cc1c[nH]c2cccc(Cl)c12)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215321 1130890922 /nfs/dbraw/zinc/89/09/22/1130890922.db2.gz GVZXXGMGRZPGQZ-DZGCQCFKSA-N 2 1 291.826 3.523 20 0 CHADMP C[N@@H+](Cc1c[nH]c2cccc(Cl)c12)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215321 1130890928 /nfs/dbraw/zinc/89/09/28/1130890928.db2.gz GVZXXGMGRZPGQZ-DZGCQCFKSA-N 2 1 291.826 3.523 20 0 CHADMP CC(C)c1cccc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236214070 1130891105 /nfs/dbraw/zinc/89/11/05/1130891105.db2.gz DUKJBQMQIXDRBZ-IRXDYDNUSA-N 2 1 260.425 3.512 20 0 CHADMP CC(C)c1cccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236214070 1130891110 /nfs/dbraw/zinc/89/11/10/1130891110.db2.gz DUKJBQMQIXDRBZ-IRXDYDNUSA-N 2 1 260.425 3.512 20 0 CHADMP COc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c2ccccc12 ZINC001236215832 1130892502 /nfs/dbraw/zinc/89/25/02/1130892502.db2.gz YGWMCPAVWVIYPV-ROUUACIJSA-N 2 1 298.430 3.550 20 0 CHADMP CCc1cccc(C)c1C[N@@H+](C)C1CCC([NH2+]C)CC1 ZINC001236215910 1130893681 /nfs/dbraw/zinc/89/36/81/1130893681.db2.gz SFJBHUOSDCHCDA-UHFFFAOYSA-N 2 1 274.452 3.520 20 0 CHADMP C[N@@H+](Cc1ccc(F)c2ccccc12)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236220636 1130895825 /nfs/dbraw/zinc/89/58/25/1130895825.db2.gz ZCCSGZBJBALBQD-ROUUACIJSA-N 2 1 286.394 3.681 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170759816 1130898315 /nfs/dbraw/zinc/89/83/15/1130898315.db2.gz DLRJEHLSGQKUEO-FLXSYLCISA-N 2 1 290.495 3.760 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170759816 1130898319 /nfs/dbraw/zinc/89/83/19/1130898319.db2.gz DLRJEHLSGQKUEO-FLXSYLCISA-N 2 1 290.495 3.760 20 0 CHADMP Cc1ccc([C@@H]2CCCC[N@H+]2CCCC[NH3+])cc1C ZINC001236244506 1130903026 /nfs/dbraw/zinc/90/30/26/1130903026.db2.gz LKINRNQGCKIEAC-KRWDZBQOSA-N 2 1 260.425 3.569 20 0 CHADMP CC[N@@H+](Cc1ccc(C)cc1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236246196 1130904123 /nfs/dbraw/zinc/90/41/23/1130904123.db2.gz ZIVLFQGRMCNBFQ-UHFFFAOYSA-N 2 1 294.442 3.663 20 0 CHADMP CC[N@@H+](CCCC[NH3+])Cc1ccc(Cl)cc1Cl ZINC001236265853 1130909766 /nfs/dbraw/zinc/90/97/66/1130909766.db2.gz NZIOJKQFMCYKJP-UHFFFAOYSA-N 2 1 275.223 3.554 20 0 CHADMP CC(C)(C)CC[N@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236271256 1130910041 /nfs/dbraw/zinc/91/00/41/1130910041.db2.gz ZUTARCJUHHYCDE-QGZVFWFLSA-N 2 1 274.452 3.677 20 0 CHADMP CC(C)(C)CC[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236271256 1130910046 /nfs/dbraw/zinc/91/00/46/1130910046.db2.gz ZUTARCJUHHYCDE-QGZVFWFLSA-N 2 1 274.452 3.677 20 0 CHADMP Cc1ccc2ccccc2c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320644 1130914681 /nfs/dbraw/zinc/91/46/81/1130914681.db2.gz SLIPOTDXTRZKRC-HDICACEKSA-N 2 1 294.442 3.580 20 0 CHADMP Cc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)s1 ZINC001236372015 1130922076 /nfs/dbraw/zinc/92/20/76/1130922076.db2.gz ABFKDOKLKMLOMN-HNNXBMFYSA-N 2 1 292.492 3.801 20 0 CHADMP CC/C=C\CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373274 1130923263 /nfs/dbraw/zinc/92/32/63/1130923263.db2.gz VVWBOTRVLRWILT-MJSXRHKHSA-N 2 1 264.457 3.587 20 0 CHADMP CC/C=C\CCC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373159 1130923646 /nfs/dbraw/zinc/92/36/46/1130923646.db2.gz UIESAGJUZBILCH-LIMHQNJXSA-N 2 1 278.484 3.977 20 0 CHADMP Cc1ccc(-c2cccc(C[N@H+]3CCC[C@@H]([NH3+])[C@H]3C)c2)cc1 ZINC001236419905 1130935471 /nfs/dbraw/zinc/93/54/71/1130935471.db2.gz MNWKKUYETBTWHL-OXQOHEQNSA-N 2 1 294.442 3.974 20 0 CHADMP Cc1ccc(-c2cccc(C[N@@H+]3CCC[C@@H]([NH3+])[C@H]3C)c2)cc1 ZINC001236419905 1130935472 /nfs/dbraw/zinc/93/54/72/1130935472.db2.gz MNWKKUYETBTWHL-OXQOHEQNSA-N 2 1 294.442 3.974 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1-c1ccccc1C ZINC001236422737 1130937641 /nfs/dbraw/zinc/93/76/41/1130937641.db2.gz XRJQREDQUMYTPZ-GOSISDBHSA-N 2 1 294.442 3.846 20 0 CHADMP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1-c1ccccc1C ZINC001236422737 1130937643 /nfs/dbraw/zinc/93/76/43/1130937643.db2.gz XRJQREDQUMYTPZ-GOSISDBHSA-N 2 1 294.442 3.846 20 0 CHADMP C[NH+](C)Cc1cccc(-c2cc(F)c3c(c2)C[N@H+](C)CC3)c1 ZINC001236425030 1130938150 /nfs/dbraw/zinc/93/81/50/1130938150.db2.gz CVICGOBHRMSFAD-UHFFFAOYSA-N 2 1 298.405 3.542 20 0 CHADMP c1ccc(C[N@@H+](Cc2ccc3c(c2)C[NH2+]C3)C2CCC2)cc1 ZINC001236442948 1130942424 /nfs/dbraw/zinc/94/24/24/1130942424.db2.gz SEABOYNYDDHWEQ-UHFFFAOYSA-N 2 1 292.426 3.845 20 0 CHADMP C[C@H]1C[C@H]1C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001236452566 1130945101 /nfs/dbraw/zinc/94/51/01/1130945101.db2.gz FVTIAFFBRZFKNZ-ZFWWWQNUSA-N 2 1 292.854 3.550 20 0 CHADMP CC(C)(C)C[N@@H+](CCC1CCCC1)C1CC[NH2+]CC1 ZINC001236458885 1130946275 /nfs/dbraw/zinc/94/62/75/1130946275.db2.gz ZROSSQMHFSYHGA-UHFFFAOYSA-N 2 1 266.473 3.667 20 0 CHADMP Cc1ccc(C)c(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236458798 1130946346 /nfs/dbraw/zinc/94/63/46/1130946346.db2.gz YMQHGCKEMXVXMF-UHFFFAOYSA-N 2 1 288.479 3.904 20 0 CHADMP Cc1csc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236458092 1130946435 /nfs/dbraw/zinc/94/64/35/1130946435.db2.gz RFYRFCJLCWCKHH-UHFFFAOYSA-N 2 1 280.481 3.657 20 0 CHADMP Cc1ccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)s1 ZINC001236457463 1130947104 /nfs/dbraw/zinc/94/71/04/1130947104.db2.gz LBUAHALBTDANRS-UHFFFAOYSA-N 2 1 280.481 3.657 20 0 CHADMP CC(C)[N@H+](Cc1ccccc1C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236468421 1130949583 /nfs/dbraw/zinc/94/95/83/1130949583.db2.gz MYLPTEQDJVQBLP-QGZVFWFLSA-N 2 1 272.436 3.526 20 0 CHADMP CC(C)[N@@H+](Cc1ccccc1C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236468421 1130949594 /nfs/dbraw/zinc/94/95/94/1130949594.db2.gz MYLPTEQDJVQBLP-QGZVFWFLSA-N 2 1 272.436 3.526 20 0 CHADMP CC(C)C[N@H+](Cc1cccc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC001236474070 1130950326 /nfs/dbraw/zinc/95/03/26/1130950326.db2.gz MNQUMIZPKJBDOG-MRXNPFEDSA-N 2 1 280.843 3.550 20 0 CHADMP CC(C)C[N@@H+](Cc1cccc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC001236474070 1130950329 /nfs/dbraw/zinc/95/03/29/1130950329.db2.gz MNQUMIZPKJBDOG-MRXNPFEDSA-N 2 1 280.843 3.550 20 0 CHADMP CCCC[N@@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236533942 1130967678 /nfs/dbraw/zinc/96/76/78/1130967678.db2.gz KRUOQCDNSQXXHX-WKILWMFISA-N 2 1 278.415 3.698 20 0 CHADMP Cc1cccc(C[N@@H+](Cc2cccc(C[NH3+])c2)C2CC2)c1C ZINC001236533849 1130967689 /nfs/dbraw/zinc/96/76/89/1130967689.db2.gz BTCRHVMGGOIUQW-UHFFFAOYSA-N 2 1 294.442 3.927 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCC2)CC2CCCC2)CC1 ZINC001236539813 1130967859 /nfs/dbraw/zinc/96/78/59/1130967859.db2.gz BFUFIWRSOSCYEH-QAQDUYKDSA-N 2 1 264.457 3.549 20 0 CHADMP Cc1ccc(F)c(C[N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236550039 1130973663 /nfs/dbraw/zinc/97/36/63/1130973663.db2.gz FYEJCVAFXRLUIV-QAQDUYKDSA-N 2 1 292.442 3.862 20 0 CHADMP CCc1cccc(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236553044 1130974170 /nfs/dbraw/zinc/97/41/70/1130974170.db2.gz LWYDVNJRAZGWCK-WGSAOQKQSA-N 2 1 286.463 3.731 20 0 CHADMP Cc1cc(F)ccc1C[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236553878 1130974784 /nfs/dbraw/zinc/97/47/84/1130974784.db2.gz UQMXFWVIKRKLAI-IYARVYRRSA-N 2 1 290.426 3.616 20 0 CHADMP CCC(CC)C[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236571871 1130974891 /nfs/dbraw/zinc/97/48/91/1130974891.db2.gz IULOHZOXJLIRAP-KOMQPUFPSA-N 2 1 252.446 3.547 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCCC2)C2CCC2)CC1 ZINC001236572599 1130978160 /nfs/dbraw/zinc/97/81/60/1130978160.db2.gz TVFISEUGCRRYDX-JCNLHEQBSA-N 2 1 264.457 3.691 20 0 CHADMP Cc1ccccc1C[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236572194 1130978245 /nfs/dbraw/zinc/97/82/45/1130978245.db2.gz NNVWHXWBFAYPFM-SAABIXHNSA-N 2 1 272.436 3.619 20 0 CHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(Cl)o2)C2CCCC2)CC1 ZINC001236573485 1130978405 /nfs/dbraw/zinc/97/84/05/1130978405.db2.gz DEMOEKPDQISPIM-MQMHXKEQSA-N 2 1 296.842 3.948 20 0 CHADMP CCC[C@@H](C)C[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236571423 1130978791 /nfs/dbraw/zinc/97/87/91/1130978791.db2.gz CPMHOTBLUYTYPI-IIAWOOMASA-N 2 1 252.446 3.547 20 0 CHADMP C(CC1CCCCC1)C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236632872 1130985727 /nfs/dbraw/zinc/98/57/27/1130985727.db2.gz BVHZCTXULVXKCC-UHFFFAOYSA-N 2 1 278.484 3.953 20 0 CHADMP CC1=CC[C@@H](CC[N@@H+](C2CCC2)C2CC[NH2+]CC2)C1(C)C ZINC001236633698 1130987199 /nfs/dbraw/zinc/98/71/99/1130987199.db2.gz KGZCIAIKFVRVGP-INIZCTEOSA-N 2 1 290.495 3.975 20 0 CHADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000815576591 1131001372 /nfs/dbraw/zinc/00/13/72/1131001372.db2.gz UHMCHBRDCLGUTE-HZPDHXFCSA-N 2 1 292.442 3.905 20 0 CHADMP C[C@H]1C[C@@H]1C[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236741294 1131002650 /nfs/dbraw/zinc/00/26/50/1131002650.db2.gz DHNQZHGIYBUUDF-DHXZDTOLSA-N 2 1 290.426 3.554 20 0 CHADMP CC[C@H](C)C[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236769018 1131004064 /nfs/dbraw/zinc/00/40/64/1131004064.db2.gz UJVSULYWXICBQG-KKUMJFAQSA-N 2 1 254.462 3.651 20 0 CHADMP CC1([NH+]2CCCC2)CC[NH+](Cc2cccc3ccoc32)CC1 ZINC001236744007 1131004881 /nfs/dbraw/zinc/00/48/81/1131004881.db2.gz VZJAUELOBVLVLH-UHFFFAOYSA-N 2 1 298.430 3.883 20 0 CHADMP CCC(CC)[N@@H+](CC[C@H](C)SC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236783569 1131007154 /nfs/dbraw/zinc/00/71/54/1131007154.db2.gz URMMIHQVGQWCCP-DZKIICNBSA-N 2 1 286.529 3.889 20 0 CHADMP CCC(CC)[N@@H+](CCC(C)(C)OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236783310 1131007575 /nfs/dbraw/zinc/00/75/75/1131007575.db2.gz SHZPETFTTJXDCP-KOMQPUFPSA-N 2 1 284.488 3.562 20 0 CHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3-c3cccs3)C[C@@H]12 ZINC001236819765 1131014388 /nfs/dbraw/zinc/01/43/88/1131014388.db2.gz OEYZUQKRFQXZMY-DJIMGWMZSA-N 2 1 298.455 3.584 20 0 CHADMP CCC[N@@H+](CCCCCc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC001236832972 1131018600 /nfs/dbraw/zinc/01/86/00/1131018600.db2.gz YCAFIQJFUWXIKT-IBGZPJMESA-N 2 1 288.479 3.721 20 0 CHADMP CCC[N@H+](Cc1ccc(C(C)(C)C)cc1)C[C@H]1CC[NH2+]C1 ZINC001236834898 1131018784 /nfs/dbraw/zinc/01/87/84/1131018784.db2.gz JNQAFLHBRIJEBH-KRWDZBQOSA-N 2 1 288.479 3.806 20 0 CHADMP CCC[N@H+](Cc1cccc(C(C)(C)C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236836823 1131019079 /nfs/dbraw/zinc/01/90/79/1131019079.db2.gz YGSGQHVUFXFLPG-QGZVFWFLSA-N 2 1 288.479 3.806 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c2ccccc12 ZINC001138016475 1131019671 /nfs/dbraw/zinc/01/96/71/1131019671.db2.gz IKTWTAKFIDTMOT-HXUWFJFHSA-N 2 1 294.442 3.676 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c2ccccc12 ZINC001138016475 1131019676 /nfs/dbraw/zinc/01/96/76/1131019676.db2.gz IKTWTAKFIDTMOT-HXUWFJFHSA-N 2 1 294.442 3.676 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c2ccccc12 ZINC001138016475 1131019681 /nfs/dbraw/zinc/01/96/81/1131019681.db2.gz IKTWTAKFIDTMOT-HXUWFJFHSA-N 2 1 294.442 3.676 20 0 CHADMP C[C@@H](CC[N@H+]1CCC[C@@](C)(C[NH3+])C1)CC(C)(C)C ZINC001237056075 1131043956 /nfs/dbraw/zinc/04/39/56/1131043956.db2.gz FXKOWMFEGZVKCF-HOCLYGCPSA-N 2 1 254.462 3.510 20 0 CHADMP CCC[C@H](C)C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237277234 1131077290 /nfs/dbraw/zinc/07/72/90/1131077290.db2.gz XUNNMPPBLANYGE-INIZCTEOSA-N 2 1 286.463 3.560 20 0 CHADMP CCc1cccc(C)c1C[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001237329715 1131084636 /nfs/dbraw/zinc/08/46/36/1131084636.db2.gz MAOQSSDQDSGTQM-UHFFFAOYSA-N 2 1 286.463 3.616 20 0 CHADMP CCc1cccc(C)c1C[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001237329715 1131084643 /nfs/dbraw/zinc/08/46/43/1131084643.db2.gz MAOQSSDQDSGTQM-UHFFFAOYSA-N 2 1 286.463 3.616 20 0 CHADMP CC(C)(C)CC[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001237358087 1131090638 /nfs/dbraw/zinc/09/06/38/1131090638.db2.gz BMMLVTFRJIJVAU-UHFFFAOYSA-N 2 1 272.436 3.517 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c(C)c1Cl ZINC001237408391 1131096574 /nfs/dbraw/zinc/09/65/74/1131096574.db2.gz BFARJZWVGDODAI-CVEARBPZSA-N 2 1 292.854 3.531 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c(C)c1Cl ZINC001237408391 1131096580 /nfs/dbraw/zinc/09/65/80/1131096580.db2.gz BFARJZWVGDODAI-CVEARBPZSA-N 2 1 292.854 3.531 20 0 CHADMP c1cc(-c2ccccc2)oc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237405081 1131097783 /nfs/dbraw/zinc/09/77/83/1131097783.db2.gz PCYOPTDWKNCGGG-SJLPKXTDSA-N 2 1 296.414 3.521 20 0 CHADMP c1cc(-c2ccccc2)oc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237405081 1131097788 /nfs/dbraw/zinc/09/77/88/1131097788.db2.gz PCYOPTDWKNCGGG-SJLPKXTDSA-N 2 1 296.414 3.521 20 0 CHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1CCc2c1cccc2F ZINC001116195866 1131133432 /nfs/dbraw/zinc/13/34/32/1131133432.db2.gz QMWXUAPYRHUJPX-RDTXWAMCSA-N 2 1 290.426 3.619 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCc2c1cccc2F ZINC001116195866 1131133434 /nfs/dbraw/zinc/13/34/34/1131133434.db2.gz QMWXUAPYRHUJPX-RDTXWAMCSA-N 2 1 290.426 3.619 20 0 CHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@@H]1CCc2c1cccc2F ZINC001116195866 1131133439 /nfs/dbraw/zinc/13/34/39/1131133439.db2.gz QMWXUAPYRHUJPX-RDTXWAMCSA-N 2 1 290.426 3.619 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C(C)C)C1 ZINC001116288547 1131138627 /nfs/dbraw/zinc/13/86/27/1131138627.db2.gz INDLIIADZDJXEE-BRWVUGGUSA-N 2 1 266.473 3.523 20 0 CHADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH+](C)C)C1CCC(F)(F)CC1 ZINC001116861435 1131167624 /nfs/dbraw/zinc/16/76/24/1131167624.db2.gz RFABBGZWEMKILX-NWANDNLSSA-N 2 1 288.426 3.663 20 0 CHADMP CC(C)C[N@@H+](Cc1ccccc1)Cc1cccc2c[nH+]cn21 ZINC001238102618 1131172557 /nfs/dbraw/zinc/17/25/57/1131172557.db2.gz FZBHYXOQFYJICH-UHFFFAOYSA-N 2 1 293.414 3.993 20 0 CHADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccccc1SC(C)(C)C ZINC000817961377 1131192790 /nfs/dbraw/zinc/19/27/90/1131192790.db2.gz XVJWSAAJHJQFJS-IUODEOHRSA-N 2 1 292.492 3.965 20 0 CHADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccccc1SC(C)(C)C ZINC000817977352 1131195234 /nfs/dbraw/zinc/19/52/34/1131195234.db2.gz ILXHMDQIVRIFFX-AGIUHOORSA-N 2 1 280.481 3.964 20 0 CHADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1cc2cc(C)c(C)cc2o1 ZINC001118059053 1131207934 /nfs/dbraw/zinc/20/79/34/1131207934.db2.gz NCDAIVORNHIUAF-KBPBESRZSA-N 2 1 274.408 3.698 20 0 CHADMP CC(C)CC(CC(C)C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001246339257 1131477169 /nfs/dbraw/zinc/47/71/69/1131477169.db2.gz CNVLJVRMTRWISE-UONOGXRCSA-N 2 1 294.405 3.577 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)Cc2ccccc2)cc1 ZINC001138543407 1131518610 /nfs/dbraw/zinc/51/86/10/1131518610.db2.gz NUMJVVIOAWWIOY-UHFFFAOYSA-N 2 1 291.398 3.813 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)Cc2ccccc2)cc1 ZINC001138543407 1131518615 /nfs/dbraw/zinc/51/86/15/1131518615.db2.gz NUMJVVIOAWWIOY-UHFFFAOYSA-N 2 1 291.398 3.813 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCCC2(C)C)cc1 ZINC001138543380 1131518653 /nfs/dbraw/zinc/51/86/53/1131518653.db2.gz NDWFTYRDZMSBLC-UHFFFAOYSA-N 2 1 269.392 3.555 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCCC2(C)C)cc1 ZINC001138543380 1131518656 /nfs/dbraw/zinc/51/86/56/1131518656.db2.gz NDWFTYRDZMSBLC-UHFFFAOYSA-N 2 1 269.392 3.555 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@](C)(F)C2)cc1 ZINC001138544214 1131518771 /nfs/dbraw/zinc/51/87/71/1131518771.db2.gz DRIGCWQUFLKSGD-KRWDZBQOSA-N 2 1 287.382 3.505 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@](C)(F)C2)cc1 ZINC001138544214 1131518773 /nfs/dbraw/zinc/51/87/73/1131518773.db2.gz DRIGCWQUFLKSGD-KRWDZBQOSA-N 2 1 287.382 3.505 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)Cc2ccsc2)cc1 ZINC001138547172 1131519127 /nfs/dbraw/zinc/51/91/27/1131519127.db2.gz GRMXREGZIFYUOT-UHFFFAOYSA-N 2 1 297.427 3.874 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)Cc2ccsc2)cc1 ZINC001138547172 1131519129 /nfs/dbraw/zinc/51/91/29/1131519129.db2.gz GRMXREGZIFYUOT-UHFFFAOYSA-N 2 1 297.427 3.874 20 0 CHADMP Cc1nccn1-c1ccc(C[N@@H+](C)C[C@H]2CC2(C)C)cc1 ZINC001138549080 1131519743 /nfs/dbraw/zinc/51/97/43/1131519743.db2.gz QLEWHENYENWKHB-MRXNPFEDSA-N 2 1 283.419 3.659 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)C[C@H]2CC2(C)C)cc1 ZINC001138549080 1131519745 /nfs/dbraw/zinc/51/97/45/1131519745.db2.gz QLEWHENYENWKHB-MRXNPFEDSA-N 2 1 283.419 3.659 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)C[C@H]2CC2(C)C)cc1 ZINC001138549080 1131519748 /nfs/dbraw/zinc/51/97/48/1131519748.db2.gz QLEWHENYENWKHB-MRXNPFEDSA-N 2 1 283.419 3.659 20 0 CHADMP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1CC[NH2+]CC[C@@H]1C ZINC001246547088 1131596498 /nfs/dbraw/zinc/59/64/98/1131596498.db2.gz BCEOVQWPSYOWCY-QWHCGFSZSA-N 2 1 298.883 3.504 20 0 CHADMP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CC[NH2+]CC[C@@H]1C ZINC001246547088 1131596502 /nfs/dbraw/zinc/59/65/02/1131596502.db2.gz BCEOVQWPSYOWCY-QWHCGFSZSA-N 2 1 298.883 3.504 20 0 CHADMP CCCC[C@H](CC(C)C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246556497 1131617793 /nfs/dbraw/zinc/61/77/93/1131617793.db2.gz HMDBDNJZVXJZOS-BRWVUGGUSA-N 2 1 268.489 3.898 20 0 CHADMP CCOc1ccc(C[N@H+](CC)CCC[NH+](C)C)cc1Cl ZINC001139597559 1131620960 /nfs/dbraw/zinc/62/09/60/1131620960.db2.gz CXQLIYLVIXRLDE-UHFFFAOYSA-N 2 1 298.858 3.512 20 0 CHADMP CCOc1ccc(C[N@@H+](CC)CCC[NH+](C)C)cc1Cl ZINC001139597559 1131620962 /nfs/dbraw/zinc/62/09/62/1131620962.db2.gz CXQLIYLVIXRLDE-UHFFFAOYSA-N 2 1 298.858 3.512 20 0 CHADMP CCCC[C@H](CC(C)C)[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246564640 1131625908 /nfs/dbraw/zinc/62/59/08/1131625908.db2.gz YCZOOLDMLAWQKF-GVDBMIGSSA-N 2 1 268.489 3.898 20 0 CHADMP C[N@H+](Cc1ccc(F)c2ccccc12)C1CC[NH+](C)CC1 ZINC001139888949 1131648257 /nfs/dbraw/zinc/64/82/57/1131648257.db2.gz RIYSXPVBDBYYGQ-UHFFFAOYSA-N 2 1 286.394 3.505 20 0 CHADMP C[N@@H+](Cc1ccc(F)c2ccccc12)C1CC[NH+](C)CC1 ZINC001139888949 1131648258 /nfs/dbraw/zinc/64/82/58/1131648258.db2.gz RIYSXPVBDBYYGQ-UHFFFAOYSA-N 2 1 286.394 3.505 20 0 CHADMP CC[N@H+](CCC[NH2+]Cc1ccc(C)nc1)C1CCCCC1 ZINC000846021242 1131678333 /nfs/dbraw/zinc/67/83/33/1131678333.db2.gz CDKVWQPPYPWPNP-UHFFFAOYSA-N 2 1 289.467 3.524 20 0 CHADMP CC[N@@H+](CCC[NH2+]Cc1ccc(C)nc1)C1CCCCC1 ZINC000846021242 1131678335 /nfs/dbraw/zinc/67/83/35/1131678335.db2.gz CDKVWQPPYPWPNP-UHFFFAOYSA-N 2 1 289.467 3.524 20 0 CHADMP CC[N@@H+](CCCCCC[NH3+])Cc1ccc(Cl)s1 ZINC000846218171 1131700618 /nfs/dbraw/zinc/70/06/18/1131700618.db2.gz SUOAXQGRWSDZSA-UHFFFAOYSA-N 2 1 274.861 3.743 20 0 CHADMP Cc1ccc(C[C@H]2CCC[N@H+]2CCCCCC[NH3+])cc1 ZINC000846218688 1131700704 /nfs/dbraw/zinc/70/07/04/1131700704.db2.gz WIZXTSVXPCFOKW-GOSISDBHSA-N 2 1 274.452 3.521 20 0 CHADMP CCCCCC[C@@H](C)[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246588002 1131701712 /nfs/dbraw/zinc/70/17/12/1131701712.db2.gz XLMBUZHIQZBDBR-HZPDHXFCSA-N 2 1 254.462 3.796 20 0 CHADMP C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCCCCC[NH3+])C1 ZINC000846219578 1131702124 /nfs/dbraw/zinc/70/21/24/1131702124.db2.gz SMYWKDFAZDEHLQ-WMLDXEAASA-N 2 1 278.415 3.728 20 0 CHADMP C1CC2(CCCCC2)[N@H+]1[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246617789 1131719911 /nfs/dbraw/zinc/71/99/11/1131719911.db2.gz ZIAGGFCIKKAOTD-INIZCTEOSA-N 2 1 276.468 3.850 20 0 CHADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001246624618 1131722355 /nfs/dbraw/zinc/72/23/55/1131722355.db2.gz VNVILLJLSDRATR-GVDBMIGSSA-N 2 1 266.473 3.665 20 0 CHADMP CC[C@H](C)C[C@H](CC)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001246676517 1131780041 /nfs/dbraw/zinc/78/00/41/1131780041.db2.gz BYNQIABUVVMHIZ-XSLAGTTESA-N 2 1 280.500 3.913 20 0 CHADMP Cc1ccc(C[N@H+](C)[C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)cc1 ZINC001246771404 1131781648 /nfs/dbraw/zinc/78/16/48/1131781648.db2.gz YSRCCSAIVGVQRN-DLBZAZTESA-N 2 1 274.452 3.594 20 0 CHADMP CC[N@@H+](Cc1cccc(Cl)c1)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246907189 1131806565 /nfs/dbraw/zinc/80/65/65/1131806565.db2.gz PSYSFWPBIQWHKO-STQMWFEESA-N 2 1 280.843 3.691 20 0 CHADMP CCC[N@@H+](CC(C)C)[C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246912774 1131813865 /nfs/dbraw/zinc/81/38/65/1131813865.db2.gz SRDDMFJPVFFWRJ-ZSHCYNCHSA-N 2 1 254.462 3.664 20 0 CHADMP CCC1CCC([N@H+](C)CCCCn2cc[nH+]c2C)CC1 ZINC000348203140 1131906187 /nfs/dbraw/zinc/90/61/87/1131906187.db2.gz OOGCYGKALRHRHV-UHFFFAOYSA-N 2 1 277.456 3.872 20 0 CHADMP CCC1CCC([N@@H+](C)CCCCn2cc[nH+]c2C)CC1 ZINC000348203140 1131906193 /nfs/dbraw/zinc/90/61/93/1131906193.db2.gz OOGCYGKALRHRHV-UHFFFAOYSA-N 2 1 277.456 3.872 20 0 CHADMP c1[nH]c2cc[nH+]cc2c1C[NH+]1CCC2(CCCC2)CC1 ZINC001140801872 1131923563 /nfs/dbraw/zinc/92/35/63/1131923563.db2.gz JHEUONQIHVGIBW-UHFFFAOYSA-N 2 1 269.392 3.719 20 0 CHADMP CCc1ccc(C[N@H+](C)Cc2c[nH]c3cc[nH+]cc23)cc1 ZINC001140804693 1131929453 /nfs/dbraw/zinc/92/94/53/1131929453.db2.gz AERRGXLSMXYXHK-UHFFFAOYSA-N 2 1 279.387 3.757 20 0 CHADMP CCc1ccc(C[N@@H+](C)Cc2c[nH]c3cc[nH+]cc23)cc1 ZINC001140804693 1131929466 /nfs/dbraw/zinc/92/94/66/1131929466.db2.gz AERRGXLSMXYXHK-UHFFFAOYSA-N 2 1 279.387 3.757 20 0 CHADMP Fc1cccc([C@@H]2CC[N@@H+](Cc3c[nH]c4ccncc34)C2)c1 ZINC001140807076 1131929501 /nfs/dbraw/zinc/92/95/01/1131929501.db2.gz KPTTZZIAOXBWGV-CQSZACIVSA-N 2 1 295.361 3.692 20 0 CHADMP Fc1cccc([C@@H]2CC[N@H+](Cc3cnc4cc[nH]cc3-4)C2)c1 ZINC001140807076 1131929511 /nfs/dbraw/zinc/92/95/11/1131929511.db2.gz KPTTZZIAOXBWGV-CQSZACIVSA-N 2 1 295.361 3.692 20 0 CHADMP Fc1cccc([C@@H]2CC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)c1 ZINC001140807076 1131929526 /nfs/dbraw/zinc/92/95/26/1131929526.db2.gz KPTTZZIAOXBWGV-CQSZACIVSA-N 2 1 295.361 3.692 20 0 CHADMP Fc1cccc([C@@H]2CC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)c1 ZINC001140807076 1131929534 /nfs/dbraw/zinc/92/95/34/1131929534.db2.gz KPTTZZIAOXBWGV-CQSZACIVSA-N 2 1 295.361 3.692 20 0 CHADMP COc1ccccc1[C@@H](C)[N@H+](C)Cc1c[nH]c2cc[nH+]cc12 ZINC001140805138 1131931270 /nfs/dbraw/zinc/93/12/70/1131931270.db2.gz TVTIRYDAHRSZRB-CYBMUJFWSA-N 2 1 295.386 3.765 20 0 CHADMP COc1ccccc1[C@@H](C)[N@@H+](C)Cc1c[nH]c2cc[nH+]cc12 ZINC001140805138 1131931275 /nfs/dbraw/zinc/93/12/75/1131931275.db2.gz TVTIRYDAHRSZRB-CYBMUJFWSA-N 2 1 295.386 3.765 20 0 CHADMP C[NH+](C)CCC[N@@H+](C)Cc1ccccc1-c1cccs1 ZINC001141092842 1132012177 /nfs/dbraw/zinc/01/21/77/1132012177.db2.gz GMWYMNCOSODLIP-UHFFFAOYSA-N 2 1 288.460 3.799 20 0 CHADMP C[NH+]1C(C)(C)CC([NH2+]Cc2cccc(F)c2)CC1(C)C ZINC001171617186 1132066186 /nfs/dbraw/zinc/06/61/86/1132066186.db2.gz HMOVHFBZBYTUFF-UHFFFAOYSA-N 2 1 278.415 3.567 20 0 CHADMP C[C@@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1ccoc1 ZINC001171624508 1132067325 /nfs/dbraw/zinc/06/73/25/1132067325.db2.gz UPBVXXUTKYFKFE-GFCCVEGCSA-N 2 1 264.413 3.582 20 0 CHADMP Cc1cccc([C@H](C)[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)n1 ZINC001171623058 1132067630 /nfs/dbraw/zinc/06/76/30/1132067630.db2.gz IZCZDLGDJMZAKL-AWEZNQCLSA-N 2 1 289.467 3.692 20 0 CHADMP CC[NH+]1CCC([N@H+](C)[C@H](C)CCc2ccc(C)cc2)CC1 ZINC001171679224 1132079220 /nfs/dbraw/zinc/07/92/20/1132079220.db2.gz JIALIJIUMIBJJC-QGZVFWFLSA-N 2 1 288.479 3.732 20 0 CHADMP CC[NH+]1CCC([N@@H+](C)[C@H](C)CCc2ccc(C)cc2)CC1 ZINC001171679224 1132079227 /nfs/dbraw/zinc/07/92/27/1132079227.db2.gz JIALIJIUMIBJJC-QGZVFWFLSA-N 2 1 288.479 3.732 20 0 CHADMP CC[N@H+](Cc1ccccn1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639486 1132082054 /nfs/dbraw/zinc/08/20/54/1132082054.db2.gz LZRGRHPKOLHFEF-UHFFFAOYSA-N 2 1 289.467 3.555 20 0 CHADMP CC[N@@H+](Cc1ccccn1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639486 1132082063 /nfs/dbraw/zinc/08/20/63/1132082063.db2.gz LZRGRHPKOLHFEF-UHFFFAOYSA-N 2 1 289.467 3.555 20 0 CHADMP CC1(C)C[C@H]([NH2+]C2CC=CC2)CC[N@H+]1Cc1ccccc1 ZINC001171963655 1132112749 /nfs/dbraw/zinc/11/27/49/1132112749.db2.gz DUGQRGMTXPAGFZ-GOSISDBHSA-N 2 1 284.447 3.738 20 0 CHADMP CC1(C)C[C@@H]([NH2+]CC2CCC2)CC[N@H+]1Cc1ccccc1 ZINC001171964071 1132113352 /nfs/dbraw/zinc/11/33/52/1132113352.db2.gz KFWBMWMLBIHTIR-SFHVURJKSA-N 2 1 286.463 3.819 20 0 CHADMP CC[N@H+](C1CC1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976875 1132117677 /nfs/dbraw/zinc/11/76/77/1132117677.db2.gz NZRTUBLVNUHJDA-SFHVURJKSA-N 2 1 286.463 3.914 20 0 CHADMP CC[N@@H+](C1CC1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976875 1132117678 /nfs/dbraw/zinc/11/76/78/1132117678.db2.gz NZRTUBLVNUHJDA-SFHVURJKSA-N 2 1 286.463 3.914 20 0 CHADMP CC[NH+](C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976875 1132117682 /nfs/dbraw/zinc/11/76/82/1132117682.db2.gz NZRTUBLVNUHJDA-SFHVURJKSA-N 2 1 286.463 3.914 20 0 CHADMP CC[NH+](C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976875 1132117684 /nfs/dbraw/zinc/11/76/84/1132117684.db2.gz NZRTUBLVNUHJDA-SFHVURJKSA-N 2 1 286.463 3.914 20 0 CHADMP CC1(C)C[C@@H]([NH2+][C@H]2CC23CCC3)CC[N@H+]1Cc1ccccc1 ZINC001171978660 1132118922 /nfs/dbraw/zinc/11/89/22/1132118922.db2.gz IDKZHKCZTNMTSU-ROUUACIJSA-N 2 1 298.474 3.962 20 0 CHADMP CCCC[NH+]1CCC([N@H+](C)Cc2csc(C)c2)CC1 ZINC001248804465 1132120117 /nfs/dbraw/zinc/12/01/17/1132120117.db2.gz FLNMDFWOPQQCPQ-UHFFFAOYSA-N 2 1 280.481 3.753 20 0 CHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2csc(C)c2)CC1 ZINC001248804465 1132120119 /nfs/dbraw/zinc/12/01/19/1132120119.db2.gz FLNMDFWOPQQCPQ-UHFFFAOYSA-N 2 1 280.481 3.753 20 0 CHADMP CC1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172078806 1132122554 /nfs/dbraw/zinc/12/25/54/1132122554.db2.gz IYQKJVOBRWCDHO-BWTSREIZSA-N 2 1 284.447 3.524 20 0 CHADMP CC1(C)C[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077958 1132123948 /nfs/dbraw/zinc/12/39/48/1132123948.db2.gz VZTKABHBAJTKRA-FCGDIQPGSA-N 2 1 298.474 3.960 20 0 CHADMP C[C@@H](CCc1ccccc1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172099795 1132125502 /nfs/dbraw/zinc/12/55/02/1132125502.db2.gz KKBUIWSFUPFOJH-DSLXNQLJSA-N 2 1 286.463 3.613 20 0 CHADMP C[C@@H](CCc1ccccc1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099795 1132125505 /nfs/dbraw/zinc/12/55/05/1132125505.db2.gz KKBUIWSFUPFOJH-DSLXNQLJSA-N 2 1 286.463 3.613 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H](C3CCCCC3)C1)C2 ZINC001172127611 1132126063 /nfs/dbraw/zinc/12/60/63/1132126063.db2.gz JVSRBAMZAZRLMN-YRXWBPOGSA-N 2 1 290.495 3.904 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H](C3CCCCC3)C1)C2 ZINC001172127611 1132126066 /nfs/dbraw/zinc/12/60/66/1132126066.db2.gz JVSRBAMZAZRLMN-YRXWBPOGSA-N 2 1 290.495 3.904 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](C3CCCCC3)C1)C2 ZINC001172127611 1132126071 /nfs/dbraw/zinc/12/60/71/1132126071.db2.gz JVSRBAMZAZRLMN-YRXWBPOGSA-N 2 1 290.495 3.904 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@H](C3CCCCC3)C1)C2 ZINC001172127611 1132126074 /nfs/dbraw/zinc/12/60/74/1132126074.db2.gz JVSRBAMZAZRLMN-YRXWBPOGSA-N 2 1 290.495 3.904 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(C(F)F)c1)C2 ZINC001172099126 1132126172 /nfs/dbraw/zinc/12/61/72/1132126172.db2.gz JBSWIQIQSSBRQM-MUJYYYPQSA-N 2 1 294.389 3.729 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172100553 1132126316 /nfs/dbraw/zinc/12/63/16/1132126316.db2.gz DYOIEYYOWBZRQX-NRSFXHEJSA-N 2 1 272.436 3.661 20 0 CHADMP Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172100553 1132126318 /nfs/dbraw/zinc/12/63/18/1132126318.db2.gz DYOIEYYOWBZRQX-NRSFXHEJSA-N 2 1 272.436 3.661 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@H]3CCCC[C@H]3C1)C2 ZINC001172126188 1132126337 /nfs/dbraw/zinc/12/63/37/1132126337.db2.gz UCVHNSNFTYFCNE-WKULXVSPSA-N 2 1 276.468 3.514 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@H]3CCCC[C@H]3C1)C2 ZINC001172126188 1132126338 /nfs/dbraw/zinc/12/63/38/1132126338.db2.gz UCVHNSNFTYFCNE-WKULXVSPSA-N 2 1 276.468 3.514 20 0 CHADMP CC[N@@H+](Cc1cccs1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129281 1132126970 /nfs/dbraw/zinc/12/69/70/1132126970.db2.gz XYNFAXJZDZGYRQ-FICVDOATSA-N 2 1 278.465 3.585 20 0 CHADMP CC[NH+](Cc1cccs1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172129281 1132126973 /nfs/dbraw/zinc/12/69/73/1132126973.db2.gz XYNFAXJZDZGYRQ-FICVDOATSA-N 2 1 278.465 3.585 20 0 CHADMP CC[NH+](Cc1cccs1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172129281 1132126975 /nfs/dbraw/zinc/12/69/75/1132126975.db2.gz XYNFAXJZDZGYRQ-FICVDOATSA-N 2 1 278.465 3.585 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c2ccccc21 ZINC001172105953 1132128982 /nfs/dbraw/zinc/12/89/82/1132128982.db2.gz LNWCGVFRWDNKLH-RUEZSYAVSA-N 2 1 284.447 3.840 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC001172105953 1132128986 /nfs/dbraw/zinc/12/89/86/1132128986.db2.gz LNWCGVFRWDNKLH-RUEZSYAVSA-N 2 1 284.447 3.840 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172107377 1132129556 /nfs/dbraw/zinc/12/95/56/1132129556.db2.gz WHGFSTCPJNZJOM-SFNKJDCFSA-N 2 1 284.447 3.587 20 0 CHADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172107377 1132129558 /nfs/dbraw/zinc/12/95/58/1132129558.db2.gz WHGFSTCPJNZJOM-SFNKJDCFSA-N 2 1 284.447 3.587 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C13CC4CC(CC(C4)C1)C3)C2 ZINC001172102768 1132129727 /nfs/dbraw/zinc/12/97/27/1132129727.db2.gz OWGGKZNOBSIBRY-NAKGGRRYSA-N 2 1 288.479 3.560 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C13CC4CC(CC(C4)C1)C3)C2 ZINC001172102768 1132129730 /nfs/dbraw/zinc/12/97/30/1132129730.db2.gz OWGGKZNOBSIBRY-NAKGGRRYSA-N 2 1 288.479 3.560 20 0 CHADMP CCCC[C@H](CC)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172107529 1132130989 /nfs/dbraw/zinc/13/09/89/1132130989.db2.gz ZFGRKRWNWIYMQF-LUKYLMHMSA-N 2 1 266.473 3.808 20 0 CHADMP CCCCC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172117252 1132131405 /nfs/dbraw/zinc/13/14/05/1132131405.db2.gz IFMXGXFUOFLBSB-BCDXTJNWSA-N 2 1 278.484 3.904 20 0 CHADMP CCCCC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172117252 1132131412 /nfs/dbraw/zinc/13/14/12/1132131412.db2.gz IFMXGXFUOFLBSB-BCDXTJNWSA-N 2 1 278.484 3.904 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H]1c1ccccc1)C2 ZINC001172120398 1132131826 /nfs/dbraw/zinc/13/18/26/1132131826.db2.gz FEDSNAWSVVIKER-RDGPPVDQSA-N 2 1 284.447 3.839 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H]1c1ccccc1)C2 ZINC001172120398 1132131831 /nfs/dbraw/zinc/13/18/31/1132131831.db2.gz FEDSNAWSVVIKER-RDGPPVDQSA-N 2 1 284.447 3.839 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@H]1c1ccccc1)C2 ZINC001172120398 1132131835 /nfs/dbraw/zinc/13/18/35/1132131835.db2.gz FEDSNAWSVVIKER-RDGPPVDQSA-N 2 1 284.447 3.839 20 0 CHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H]1c1ccccc1)C2 ZINC001172120398 1132131841 /nfs/dbraw/zinc/13/18/41/1132131841.db2.gz FEDSNAWSVVIKER-RDGPPVDQSA-N 2 1 284.447 3.839 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC(C)(C)CC1CCC1)C2 ZINC001172112073 1132132178 /nfs/dbraw/zinc/13/21/78/1132132178.db2.gz REPMHPPVTREGKF-OSYLJGHBSA-N 2 1 278.484 3.808 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCC(C)(C)CC1)C2 ZINC001172116271 1132132875 /nfs/dbraw/zinc/13/28/75/1132132875.db2.gz GEEIETIFWHKULP-MUJYYYPQSA-N 2 1 264.457 3.560 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCC(C)(C)CC1)C2 ZINC001172116271 1132132880 /nfs/dbraw/zinc/13/28/80/1132132880.db2.gz GEEIETIFWHKULP-MUJYYYPQSA-N 2 1 264.457 3.560 20 0 CHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC13CCC(F)(F)CC3)C2 ZINC001172113680 1132134258 /nfs/dbraw/zinc/13/42/58/1132134258.db2.gz IOMSHUFQVHFURZ-XQLPTFJDSA-N 2 1 298.421 3.559 20 0 CHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC13CCC(F)(F)CC3)C2 ZINC001172113680 1132134263 /nfs/dbraw/zinc/13/42/63/1132134263.db2.gz IOMSHUFQVHFURZ-XQLPTFJDSA-N 2 1 298.421 3.559 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1F ZINC001172111837 1132134454 /nfs/dbraw/zinc/13/44/54/1132134454.db2.gz WUIQQAHVDAWJOL-LLLHUVSDSA-N 2 1 290.426 3.800 20 0 CHADMP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1F ZINC001172111837 1132134456 /nfs/dbraw/zinc/13/44/56/1132134456.db2.gz WUIQQAHVDAWJOL-LLLHUVSDSA-N 2 1 290.426 3.800 20 0 CHADMP C[NH2+]Cc1ccc2c(ccn2[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172121893 1132135532 /nfs/dbraw/zinc/13/55/32/1132135532.db2.gz VGKUMPLEOZTKGI-BCDXTJNWSA-N 2 1 297.446 3.549 20 0 CHADMP CC[C@H](C)OCC[C@@H](C)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172326971 1132162067 /nfs/dbraw/zinc/16/20/67/1132162067.db2.gz CVRSJSLHJRYMIJ-CYGHRXIMSA-N 2 1 296.499 3.562 20 0 CHADMP CC[C@H](C)OCC[C@@H](C)[N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172338339 1132176695 /nfs/dbraw/zinc/17/66/95/1132176695.db2.gz YIZAKVXHICLCAU-YYIAUSFCSA-N 2 1 284.488 3.560 20 0 CHADMP CC[C@@H](CC(C)C)N(c1cccc(C)[nH+]1)C1CC[NH2+]CC1 ZINC001172405496 1132196853 /nfs/dbraw/zinc/19/68/53/1132196853.db2.gz YJKLVODKDDPRIH-INIZCTEOSA-N 2 1 289.467 3.773 20 0 CHADMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172548313 1132279971 /nfs/dbraw/zinc/27/99/71/1132279971.db2.gz CBIQNDSYFHPQDJ-AQNXPRMDSA-N 2 1 298.474 3.740 20 0 CHADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172548313 1132279978 /nfs/dbraw/zinc/27/99/78/1132279978.db2.gz CBIQNDSYFHPQDJ-AQNXPRMDSA-N 2 1 298.474 3.740 20 0 CHADMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCC[C@@H](c4ccccc4)C3)C2)C1 ZINC001172548313 1132279983 /nfs/dbraw/zinc/27/99/83/1132279983.db2.gz CBIQNDSYFHPQDJ-AQNXPRMDSA-N 2 1 298.474 3.740 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172649639 1132288510 /nfs/dbraw/zinc/28/85/10/1132288510.db2.gz RIARWRITCGSBLN-OAHLLOKOSA-N 2 1 296.499 3.577 20 0 CHADMP Cc1c[nH+]c(CC[NH3+])n1C1CCC(Cc2ccccc2)CC1 ZINC001172818460 1132316772 /nfs/dbraw/zinc/31/67/72/1132316772.db2.gz MRXQPEVMJFAEPJ-UHFFFAOYSA-N 2 1 297.446 3.667 20 0 CHADMP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001172857588 1132344046 /nfs/dbraw/zinc/34/40/46/1132344046.db2.gz XJKQMTLYNSMAAK-VCANKDNSSA-N 2 1 298.833 3.612 20 0 CHADMP CO[C@@H]1CCC[C@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172928249 1132364529 /nfs/dbraw/zinc/36/45/29/1132364529.db2.gz JNUUNOUXCUEVOH-LUKYLMHMSA-N 2 1 296.499 3.562 20 0 CHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H]2C(C)C)CC1 ZINC001173112454 1132395081 /nfs/dbraw/zinc/39/50/81/1132395081.db2.gz BFRBSCAIYZVNPJ-OFLPRAFFSA-N 2 1 266.473 3.760 20 0 CHADMP CCCC[C@@H](CC(C)C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001173248767 1132419267 /nfs/dbraw/zinc/41/92/67/1132419267.db2.gz FYNWSYBACGNXFS-HOTGVXAUSA-N 2 1 254.462 3.665 20 0 CHADMP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC001232011470 1132410999 /nfs/dbraw/zinc/41/09/99/1132410999.db2.gz LUEUZXSFCWNWKR-HNNXBMFYSA-N 2 1 277.371 3.552 20 0 CHADMP C[C@@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@H]([NH3+])C1 ZINC001173206884 1132415023 /nfs/dbraw/zinc/41/50/23/1132415023.db2.gz XYJNKIQAHINHSB-LPHOPBHVSA-N 2 1 294.442 3.630 20 0 CHADMP C[C@@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@H]([NH3+])C1 ZINC001173206884 1132415028 /nfs/dbraw/zinc/41/50/28/1132415028.db2.gz XYJNKIQAHINHSB-LPHOPBHVSA-N 2 1 294.442 3.630 20 0 CHADMP CCc1ccc(C[C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001173235741 1132415086 /nfs/dbraw/zinc/41/50/86/1132415086.db2.gz OPACEIMOPSLQIH-VQIMIIECSA-N 2 1 288.479 3.502 20 0 CHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCCC[C@@](C)(F)C2)c1 ZINC001232143543 1132426922 /nfs/dbraw/zinc/42/69/22/1132426922.db2.gz ANQLWQXBBUWWTI-QGZVFWFLSA-N 2 1 296.405 3.601 20 0 CHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCCC[C@@](C)(F)C2)c1 ZINC001232143543 1132426931 /nfs/dbraw/zinc/42/69/31/1132426931.db2.gz ANQLWQXBBUWWTI-QGZVFWFLSA-N 2 1 296.405 3.601 20 0 CHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC001232145223 1132427150 /nfs/dbraw/zinc/42/71/50/1132427150.db2.gz YQIMIRWMOGEAKI-DLBZAZTESA-N 2 1 290.426 3.509 20 0 CHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+](C)Cc2ccccc2)c1 ZINC001232145533 1132427551 /nfs/dbraw/zinc/42/75/51/1132427551.db2.gz VAXYVDAIIAWDGZ-UHFFFAOYSA-N 2 1 286.394 3.519 20 0 CHADMP [NH3+]CCCCCCC[N@@H+](C1CC1)C1CCCCC1 ZINC000842471604 1132433535 /nfs/dbraw/zinc/43/35/35/1132433535.db2.gz LOKOZDQYQQQRNC-UHFFFAOYSA-N 2 1 252.446 3.693 20 0 CHADMP CC[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)C1 ZINC001173271049 1132436100 /nfs/dbraw/zinc/43/61/00/1132436100.db2.gz PCOVYKUVVYBWJW-HUUCEWRRSA-N 2 1 290.426 3.654 20 0 CHADMP CC[C@H]1CC[C@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)C1 ZINC001173271048 1132436660 /nfs/dbraw/zinc/43/66/60/1132436660.db2.gz PCOVYKUVVYBWJW-GJZGRUSLSA-N 2 1 290.426 3.654 20 0 CHADMP CC[C@H]1CC[C@H](N(c2cccc(C)[nH+]2)C2CC[NH2+]CC2)C1 ZINC001173284467 1132455838 /nfs/dbraw/zinc/45/58/38/1132455838.db2.gz POTSUCGMWMGXMV-RDJZCZTQSA-N 2 1 287.451 3.527 20 0 CHADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cc2ccccc2s1 ZINC000843053978 1132495222 /nfs/dbraw/zinc/49/52/22/1132495222.db2.gz ODOKHSRFAMNRQJ-GOOCMWNKSA-N 2 1 286.444 3.746 20 0 CHADMP Cc1[nH+]c2c(Nc3ccc(C(C)(C)[NH3+])cc3)cccn2c1C ZINC001159397558 1132837880 /nfs/dbraw/zinc/83/78/80/1132837880.db2.gz RKDKMDADBKHXPQ-UHFFFAOYSA-N 2 1 294.402 3.889 20 0 CHADMP CC[NH+](CC)c1ccc(Nc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC001159616090 1132876205 /nfs/dbraw/zinc/87/62/05/1132876205.db2.gz ZWPHQDUAQKWVHV-UHFFFAOYSA-N 2 1 295.430 3.922 20 0 CHADMP C[N@@H+](Cc1ccccc1NC1=CCC[NH2+]C1)C1CCCCC1 ZINC001159791315 1132909130 /nfs/dbraw/zinc/90/91/30/1132909130.db2.gz LQHQBVCDNDYNEI-UHFFFAOYSA-N 2 1 299.462 3.740 20 0 CHADMP Cc1cc(C)[nH+]c(Nc2ccc(C[NH3+])cc2C(F)(F)F)c1 ZINC001160417903 1132970098 /nfs/dbraw/zinc/97/00/98/1132970098.db2.gz OJSRSJBQRNPMBW-UHFFFAOYSA-N 2 1 295.308 3.920 20 0 CHADMP Cc1cc([NH+]2CCCCC2)ccc1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001162404569 1133074908 /nfs/dbraw/zinc/07/49/08/1133074908.db2.gz OIROYJFHNVSBLE-HZPDHXFCSA-N 2 1 287.451 3.667 20 0 CHADMP Cc1cc(-n2ccc3cc([C@H](C)[NH3+])ccc32)c2[nH+]ccn2c1 ZINC001162907720 1133121140 /nfs/dbraw/zinc/12/11/40/1133121140.db2.gz GGPGCYYLXMAYSB-ZDUSSCGKSA-N 2 1 290.370 3.606 20 0 CHADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC001203806445 1133371350 /nfs/dbraw/zinc/37/13/50/1133371350.db2.gz FRVYMZOBQIFHOT-UHFFFAOYSA-N 2 1 289.250 3.767 20 0 CHADMP CCC[NH+]1CCC([N@H+](C)Cc2cccc(Cl)c2C)CC1 ZINC001204713336 1133478386 /nfs/dbraw/zinc/47/83/86/1133478386.db2.gz BYEJJOXFBXXXMQ-UHFFFAOYSA-N 2 1 294.870 3.955 20 0 CHADMP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(Cl)c2C)CC1 ZINC001204713336 1133478389 /nfs/dbraw/zinc/47/83/89/1133478389.db2.gz BYEJJOXFBXXXMQ-UHFFFAOYSA-N 2 1 294.870 3.955 20 0 CHADMP Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc3c(c2)C[NH2+]C3)c1 ZINC001204848235 1133491451 /nfs/dbraw/zinc/49/14/51/1133491451.db2.gz MACXEXYWXIZKBY-FQEVSTJZSA-N 2 1 292.426 3.935 20 0 CHADMP c1cncc([C@@H]2CCC[N@H+]2CCC[NH2+]C2CCCCC2)c1 ZINC001204848620 1133491957 /nfs/dbraw/zinc/49/19/57/1133491957.db2.gz PLEVRJONQTWNMW-SFHVURJKSA-N 2 1 287.451 3.531 20 0 CHADMP c1cncc([C@@H]2CCC[N@@H+]2CCC[NH2+]C2CCCCC2)c1 ZINC001204848620 1133491959 /nfs/dbraw/zinc/49/19/59/1133491959.db2.gz PLEVRJONQTWNMW-SFHVURJKSA-N 2 1 287.451 3.531 20 0 CHADMP [NH3+]CCCCC[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001204869765 1133494364 /nfs/dbraw/zinc/49/43/64/1133494364.db2.gz IOSGKPGMPRDNOZ-UHFFFAOYSA-N 2 1 278.827 3.558 20 0 CHADMP [NH3+][C@H]1CCC[N@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC001204877233 1133495007 /nfs/dbraw/zinc/49/50/07/1133495007.db2.gz FGLPEQBQFSPGKB-AWEZNQCLSA-N 2 1 296.439 3.978 20 0 CHADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC001204877233 1133495009 /nfs/dbraw/zinc/49/50/09/1133495009.db2.gz FGLPEQBQFSPGKB-AWEZNQCLSA-N 2 1 296.439 3.978 20 0 CHADMP Cc1sc2ccccc2c1C[N@@H+]1CCC[C@@](C)([NH3+])C1 ZINC001204946568 1133505731 /nfs/dbraw/zinc/50/57/31/1133505731.db2.gz PSRKFQJVIZEWJG-MRXNPFEDSA-N 2 1 274.433 3.523 20 0 CHADMP Cc1sc2ccccc2c1C[N@H+]1CCC[C@@](C)([NH3+])C1 ZINC001204946568 1133505735 /nfs/dbraw/zinc/50/57/35/1133505735.db2.gz PSRKFQJVIZEWJG-MRXNPFEDSA-N 2 1 274.433 3.523 20 0 CHADMP C[NH2+]CCC[N@H+]1CC=C(c2cc(Cl)cc(Cl)c2)CC1 ZINC001205000268 1133515147 /nfs/dbraw/zinc/51/51/47/1133515147.db2.gz BSTBKKBSMUOMLP-UHFFFAOYSA-N 2 1 299.245 3.692 20 0 CHADMP C[NH2+]CCC[N@@H+]1CC=C(c2cc(Cl)cc(Cl)c2)CC1 ZINC001205000268 1133515152 /nfs/dbraw/zinc/51/51/52/1133515152.db2.gz BSTBKKBSMUOMLP-UHFFFAOYSA-N 2 1 299.245 3.692 20 0 CHADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205093897 1133528174 /nfs/dbraw/zinc/52/81/74/1133528174.db2.gz HMVDFYCDBRKKCC-VQIMIIECSA-N 2 1 288.479 3.802 20 0 CHADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccccc2-c2ccc(F)cc2)CC1 ZINC001205117718 1133531912 /nfs/dbraw/zinc/53/19/12/1133531912.db2.gz SLXDJKCTMACLJN-SFHVURJKSA-N 2 1 298.405 3.806 20 0 CHADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(Cc3ccccc3)cc2)CC1 ZINC001205116560 1133532408 /nfs/dbraw/zinc/53/24/08/1133532408.db2.gz CNIQRXDYAXEQFX-HXUWFJFHSA-N 2 1 294.442 3.591 20 0 CHADMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C[C@H]1C[NH3+] ZINC001205135904 1133535669 /nfs/dbraw/zinc/53/56/69/1133535669.db2.gz DYSWRFPIEGMJLD-KBXCAEBGSA-N 2 1 298.405 3.519 20 0 CHADMP C[C@H]1c2ccccc2CC[N@H+]1CCC[NH2+]C1CCCCC1 ZINC001205164351 1133539323 /nfs/dbraw/zinc/53/93/23/1133539323.db2.gz DESCIPZQGKBCCZ-INIZCTEOSA-N 2 1 286.463 3.918 20 0 CHADMP C[C@H]1c2ccccc2CC[N@@H+]1CCC[NH2+]C1CCCCC1 ZINC001205164351 1133539327 /nfs/dbraw/zinc/53/93/27/1133539327.db2.gz DESCIPZQGKBCCZ-INIZCTEOSA-N 2 1 286.463 3.918 20 0 CHADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2c[nH]c3cc(Cl)ccc23)CC1 ZINC001205273267 1133553837 /nfs/dbraw/zinc/55/38/37/1133553837.db2.gz JBHDFWUILWYZNB-MRXNPFEDSA-N 2 1 291.826 3.525 20 0 CHADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001205324674 1133560853 /nfs/dbraw/zinc/56/08/53/1133560853.db2.gz DSVQKLKZSVTCKB-HNNXBMFYSA-N 2 1 298.405 3.677 20 0 CHADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001205324674 1133560856 /nfs/dbraw/zinc/56/08/56/1133560856.db2.gz DSVQKLKZSVTCKB-HNNXBMFYSA-N 2 1 298.405 3.677 20 0 CHADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1cccc(-c2ccc(F)cc2)c1 ZINC001205326292 1133561488 /nfs/dbraw/zinc/56/14/88/1133561488.db2.gz XXPYSNUYAGSUQQ-OAHLLOKOSA-N 2 1 298.405 3.677 20 0 CHADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1cccc(-c2ccc(F)cc2)c1 ZINC001205326292 1133561491 /nfs/dbraw/zinc/56/14/91/1133561491.db2.gz XXPYSNUYAGSUQQ-OAHLLOKOSA-N 2 1 298.405 3.677 20 0 CHADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001205324676 1133561663 /nfs/dbraw/zinc/56/16/63/1133561663.db2.gz DSVQKLKZSVTCKB-OAHLLOKOSA-N 2 1 298.405 3.677 20 0 CHADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001205324676 1133561665 /nfs/dbraw/zinc/56/16/65/1133561665.db2.gz DSVQKLKZSVTCKB-OAHLLOKOSA-N 2 1 298.405 3.677 20 0 CHADMP Cc1cc(C)cc(C2=CC[N@@H+](CC3CC[NH+](C)CC3)CC2)c1 ZINC001205359570 1133570188 /nfs/dbraw/zinc/57/01/88/1133570188.db2.gz ALXCOWZJFWLXCV-UHFFFAOYSA-N 2 1 298.474 3.734 20 0 CHADMP C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000084981673 1133582649 /nfs/dbraw/zinc/58/26/49/1133582649.db2.gz ZSRYVRFTBWIUER-AOIWGVFYSA-N 2 1 288.479 3.923 20 0 CHADMP CC1=CC[C@H](CC[N@H+]2CCC[C@@](F)(C[NH3+])CC2)C1(C)C ZINC001205536774 1133585473 /nfs/dbraw/zinc/58/54/73/1133585473.db2.gz ATEIRVWRQCOSBO-WBVHZDCISA-N 2 1 282.447 3.522 20 0 CHADMP CC(C)c1ccc(CC[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1 ZINC001205538398 1133586290 /nfs/dbraw/zinc/58/62/90/1133586290.db2.gz LPLZCTZCFHBVIU-GOSISDBHSA-N 2 1 292.442 3.505 20 0 CHADMP C([NH2+][C@H]1CC[C@H]1C1CCC1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001205554308 1133586676 /nfs/dbraw/zinc/58/66/76/1133586676.db2.gz CJLLMLFFWSVOMJ-QYZOEREBSA-N 2 1 290.495 3.952 20 0 CHADMP C[C@@H](CC[N@H+]1CCC[C@](F)(C[NH3+])CC1)CC(C)(C)C ZINC001205545764 1133586899 /nfs/dbraw/zinc/58/68/99/1133586899.db2.gz MYDZFPZXXJVDAE-GOEBONIOSA-N 2 1 272.452 3.602 20 0 CHADMP C[C@H](CC[N@H+]1CCC[C@](F)(C[NH3+])CC1)CC(C)(C)C ZINC001205545763 1133587133 /nfs/dbraw/zinc/58/71/33/1133587133.db2.gz MYDZFPZXXJVDAE-GDBMZVCRSA-N 2 1 272.452 3.602 20 0 CHADMP Cc1csc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1Cl ZINC001205616164 1133594861 /nfs/dbraw/zinc/59/48/61/1133594861.db2.gz DFBWCLZBLGTOKK-JQWIXIFHSA-N 2 1 286.872 3.517 20 0 CHADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H](C)c1ccc(F)cc1 ZINC001205696648 1133603533 /nfs/dbraw/zinc/60/35/33/1133603533.db2.gz LYJVPBBKKNIXOV-OAHLLOKOSA-N 2 1 280.431 3.593 20 0 CHADMP Cc1ccc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])c2ccccc12 ZINC001205819079 1133619165 /nfs/dbraw/zinc/61/91/65/1133619165.db2.gz WWQBKVVSUAUMPP-PBHICJAKSA-N 2 1 282.431 3.707 20 0 CHADMP Cc1ccc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])c2ccccc12 ZINC001205819079 1133619167 /nfs/dbraw/zinc/61/91/67/1133619167.db2.gz WWQBKVVSUAUMPP-PBHICJAKSA-N 2 1 282.431 3.707 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001205828950 1133619964 /nfs/dbraw/zinc/61/99/64/1133619964.db2.gz NLVGKBWPLSSXPW-LPHOPBHVSA-N 2 1 294.442 3.913 20 0 CHADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001205828950 1133619966 /nfs/dbraw/zinc/61/99/66/1133619966.db2.gz NLVGKBWPLSSXPW-LPHOPBHVSA-N 2 1 294.442 3.913 20 0 CHADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205902994 1133628363 /nfs/dbraw/zinc/62/83/63/1133628363.db2.gz MHQRCIYDFDGVNN-ULQDDVLXSA-N 2 1 298.515 3.667 20 0 CHADMP CCCCc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)s1 ZINC001205901006 1133628900 /nfs/dbraw/zinc/62/89/00/1133628900.db2.gz AMGLBUKCEKCVGL-KBPBESRZSA-N 2 1 280.481 3.650 20 0 CHADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1C[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001205901712 1133628947 /nfs/dbraw/zinc/62/89/47/1133628947.db2.gz FNHRYOPWCDGUAO-DUFGSWQCSA-N 2 1 292.854 3.503 20 0 CHADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc2c(F)cccc12 ZINC001205914491 1133630188 /nfs/dbraw/zinc/63/01/88/1133630188.db2.gz MMHVVNJVTHOLCH-ZIAGYGMSSA-N 2 1 286.394 3.538 20 0 CHADMP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc(C)c1Cl ZINC001205913431 1133630300 /nfs/dbraw/zinc/63/03/00/1133630300.db2.gz IGKGWOQKOSFHBC-UKRRQHHQSA-N 2 1 280.843 3.516 20 0 CHADMP [NH3+][C@@H]1CCCC[N@H+](Cc2ccc(-c3cccs3)cc2)C1 ZINC001205930586 1133630937 /nfs/dbraw/zinc/63/09/37/1133630937.db2.gz AWUYZWMTMGLRCX-MRXNPFEDSA-N 2 1 286.444 3.728 20 0 CHADMP [NH3+][C@@H]1CCCC[N@@H+](Cc2ccc(-c3cccs3)cc2)C1 ZINC001205930586 1133630939 /nfs/dbraw/zinc/63/09/39/1133630939.db2.gz AWUYZWMTMGLRCX-MRXNPFEDSA-N 2 1 286.444 3.728 20 0 CHADMP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c(C)c1Cl ZINC001205923049 1133631161 /nfs/dbraw/zinc/63/11/61/1133631161.db2.gz HGWAOEGSEICSTI-ZIAGYGMSSA-N 2 1 280.843 3.516 20 0 CHADMP CC(C)C[N@@H+](CC[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC001205922842 1133631625 /nfs/dbraw/zinc/63/16/25/1133631625.db2.gz BNXPACZTBPHQJC-GOSISDBHSA-N 2 1 274.452 3.677 20 0 CHADMP Cc1c(C)c(C)c(C[N@H+]2CCCC[C@@H]([NH3+])C2)c(C)c1C ZINC001205931518 1133632314 /nfs/dbraw/zinc/63/23/14/1133632314.db2.gz KKQIPFDYNZSGPK-QGZVFWFLSA-N 2 1 274.452 3.542 20 0 CHADMP Cc1c2ccccc2sc1C[N@@H+]1CCCC[C@H]([NH3+])C1 ZINC001205931831 1133632370 /nfs/dbraw/zinc/63/23/70/1133632370.db2.gz LRYYOFMFSLKINA-ZDUSSCGKSA-N 2 1 274.433 3.523 20 0 CHADMP Cc1c2ccccc2sc1C[N@H+]1CCCC[C@H]([NH3+])C1 ZINC001205931831 1133632372 /nfs/dbraw/zinc/63/23/72/1133632372.db2.gz LRYYOFMFSLKINA-ZDUSSCGKSA-N 2 1 274.433 3.523 20 0 CHADMP [NH3+][C@H]1CCCC[N@@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC001205932293 1133633235 /nfs/dbraw/zinc/63/32/35/1133633235.db2.gz PZCMJOXNQOWKCU-HNNXBMFYSA-N 2 1 294.398 3.899 20 0 CHADMP C[C@@H]1C[N@@H+](CCCC2CCCCC2)CCC[C@H]1C[NH3+] ZINC001205981924 1133637916 /nfs/dbraw/zinc/63/79/16/1133637916.db2.gz JGGBXBSEMNHAHF-WBVHZDCISA-N 2 1 266.473 3.654 20 0 CHADMP C[C@@H]1C[N@@H+](CCCc2ccc(Cl)cc2)CCC[C@H]1C[NH3+] ZINC001205984223 1133638254 /nfs/dbraw/zinc/63/82/54/1133638254.db2.gz RLKUULCQXXJACD-ZBFHGGJFSA-N 2 1 294.870 3.579 20 0 CHADMP Cc1ccc(F)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1Cl ZINC001205992086 1133639109 /nfs/dbraw/zinc/63/91/09/1133639109.db2.gz DKHSBJHTCABDMH-OLZOCXBDSA-N 2 1 298.833 3.594 20 0 CHADMP Cc1ccc2ccccc2c1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206013152 1133641134 /nfs/dbraw/zinc/64/11/34/1133641134.db2.gz PRYAMNSNTKSVHD-SJLPKXTDSA-N 2 1 296.458 3.955 20 0 CHADMP CC(C)c1ccccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206014034 1133641395 /nfs/dbraw/zinc/64/13/95/1133641395.db2.gz VLENQTYBAPNHOU-HOTGVXAUSA-N 2 1 274.452 3.617 20 0 CHADMP C[C@H]1C[N@@H+](Cc2cccc3sccc32)CCC[C@@H]1C[NH3+] ZINC001206026924 1133643920 /nfs/dbraw/zinc/64/39/20/1133643920.db2.gz VCICTJWURHVKRH-UONOGXRCSA-N 2 1 288.460 3.708 20 0 CHADMP CC/C=C\CCCCCC[N@H+]1CCC[NH2+]C[C@@H]1C ZINC001206258366 1133677509 /nfs/dbraw/zinc/67/75/09/1133677509.db2.gz XHTNBJTYPIFSPU-AWFCHZOYSA-N 2 1 252.446 3.587 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC001206256208 1133677964 /nfs/dbraw/zinc/67/79/64/1133677964.db2.gz NHVJEEKSEHJSFE-CVEARBPZSA-N 2 1 266.473 3.667 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC001206256208 1133677967 /nfs/dbraw/zinc/67/79/67/1133677967.db2.gz NHVJEEKSEHJSFE-CVEARBPZSA-N 2 1 266.473 3.667 20 0 CHADMP Cc1ccc(-c2ccc(C[N@H+]3CCC[NH2+]C[C@@H]3C)cc2)cc1 ZINC001206263066 1133678237 /nfs/dbraw/zinc/67/82/37/1133678237.db2.gz MZUXTHRGROSDNY-KRWDZBQOSA-N 2 1 294.442 3.846 20 0 CHADMP Cc1ccc(-c2ccc(C[N@@H+]3CCC[NH2+]C[C@@H]3C)cc2)cc1 ZINC001206263066 1133678239 /nfs/dbraw/zinc/67/82/39/1133678239.db2.gz MZUXTHRGROSDNY-KRWDZBQOSA-N 2 1 294.442 3.846 20 0 CHADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccccc1-c1ccccc1 ZINC001206263213 1133678733 /nfs/dbraw/zinc/67/87/33/1133678733.db2.gz ROAPNHZEFBUYQB-INIZCTEOSA-N 2 1 280.415 3.537 20 0 CHADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001206276755 1133680750 /nfs/dbraw/zinc/68/07/50/1133680750.db2.gz HZMPCSBEHDTPJK-OAHLLOKOSA-N 2 1 298.405 3.534 20 0 CHADMP Cc1cccc(Cl)c1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206304489 1133686553 /nfs/dbraw/zinc/68/65/53/1133686553.db2.gz LJAZHEDWVWLFHH-MRXNPFEDSA-N 2 1 280.843 3.599 20 0 CHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc(C(F)F)c2)CC1 ZINC001206303613 1133686912 /nfs/dbraw/zinc/68/69/12/1133686912.db2.gz DWKKNUYDPBWPGZ-MRXNPFEDSA-N 2 1 282.378 3.575 20 0 CHADMP Cc1cccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1Cl ZINC001206327775 1133689774 /nfs/dbraw/zinc/68/97/74/1133689774.db2.gz XPEJEQDDDYCUKV-MRXNPFEDSA-N 2 1 280.843 3.599 20 0 CHADMP CC(C)[N@@H+](CCCc1cccc(F)c1)[C@H]1CCC[NH2+]CC1 ZINC001206584370 1133721634 /nfs/dbraw/zinc/72/16/34/1133721634.db2.gz YSFDVUAFLHNADB-SFHVURJKSA-N 2 1 292.442 3.611 20 0 CHADMP CC(C)[N@H+](Cc1ccc(F)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC001206580113 1133721651 /nfs/dbraw/zinc/72/16/51/1133721651.db2.gz CHGAVCRWGCJBBU-HNNXBMFYSA-N 2 1 298.833 3.832 20 0 CHADMP CC(C)[N@@H+](Cc1ccc(F)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC001206580113 1133721654 /nfs/dbraw/zinc/72/16/54/1133721654.db2.gz CHGAVCRWGCJBBU-HNNXBMFYSA-N 2 1 298.833 3.832 20 0 CHADMP Cc1cccc2c(C[N@H+](C(C)C)[C@@H]3CCC[NH2+]CC3)c[nH]c21 ZINC001206582278 1133721723 /nfs/dbraw/zinc/72/17/23/1133721723.db2.gz NJXAHLQTLOPREL-QGZVFWFLSA-N 2 1 299.462 3.829 20 0 CHADMP CCc1ccc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc1 ZINC001206580558 1133722292 /nfs/dbraw/zinc/72/22/92/1133722292.db2.gz DZUZDYXTMNJOFP-SFHVURJKSA-N 2 1 274.452 3.602 20 0 CHADMP CC(C)[N@@H+](Cc1cccc2c1ccn2C)[C@@H]1CCC[NH2+]CC1 ZINC001206591296 1133723726 /nfs/dbraw/zinc/72/37/26/1133723726.db2.gz QUDYTNOZFLCOPD-QGZVFWFLSA-N 2 1 299.462 3.531 20 0 CHADMP Cc1ccc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(F)c1F ZINC001206591799 1133723987 /nfs/dbraw/zinc/72/39/87/1133723987.db2.gz WEUYSWAHHIXERV-HNNXBMFYSA-N 2 1 296.405 3.626 20 0 CHADMP Cc1ccc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(F)c1F ZINC001206591799 1133723991 /nfs/dbraw/zinc/72/39/91/1133723991.db2.gz WEUYSWAHHIXERV-HNNXBMFYSA-N 2 1 296.405 3.626 20 0 CHADMP [NH3+]C[C@@H]1CCCC[N@@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001206606559 1133726737 /nfs/dbraw/zinc/72/67/37/1133726737.db2.gz PHFGOPMOCPKKKX-JLJPHGGASA-N 2 1 292.854 3.504 20 0 CHADMP C[C@@H](CC[N@H+]1CCCC[C@H](C[NH3+])C1)CC(C)(C)C ZINC001206606457 1133727025 /nfs/dbraw/zinc/72/70/25/1133727025.db2.gz NOXNNASPNSHQMX-LSDHHAIUSA-N 2 1 254.462 3.510 20 0 CHADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1CC1(c2ccccc2)CCCC1 ZINC001206760533 1133743102 /nfs/dbraw/zinc/74/31/02/1133743102.db2.gz JCRAOKMRKWHCLY-DLBZAZTESA-N 2 1 286.463 3.558 20 0 CHADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC001206767395 1133745883 /nfs/dbraw/zinc/74/58/83/1133745883.db2.gz AGYRDAVKDCYXLB-HUUCEWRRSA-N 2 1 284.403 3.506 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC001207285386 1133789029 /nfs/dbraw/zinc/78/90/29/1133789029.db2.gz IXEMXDVMUVIQAU-CQSZACIVSA-N 2 1 294.870 3.717 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC001207285386 1133789034 /nfs/dbraw/zinc/78/90/34/1133789034.db2.gz IXEMXDVMUVIQAU-CQSZACIVSA-N 2 1 294.870 3.717 20 0 CHADMP C[NH+]1CCC(CC[N@H+]2CCC[C@@H]2c2cccs2)CC1 ZINC001207485625 1133805821 /nfs/dbraw/zinc/80/58/21/1133805821.db2.gz YPZYTQPDHABZLB-OAHLLOKOSA-N 2 1 278.465 3.617 20 0 CHADMP C[NH+]1CCC(CC[N@H+]2CCC[C@H]2c2cccc(F)c2)CC1 ZINC001207484791 1133806716 /nfs/dbraw/zinc/80/67/16/1133806716.db2.gz NKTPIVRRDIJOQX-SFHVURJKSA-N 2 1 290.426 3.695 20 0 CHADMP CC[C@H]1CCCC[C@H]1C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC001207738559 1133843969 /nfs/dbraw/zinc/84/39/69/1133843969.db2.gz CYNWUIOHHWYATP-HOTGVXAUSA-N 2 1 268.489 3.722 20 0 CHADMP C[NH+](C)CC(C)(C)C[N@@H+](C)C[C@@H]1CCCC(C)(C)C1 ZINC001207738976 1133844037 /nfs/dbraw/zinc/84/40/37/1133844037.db2.gz SGOISWWPICYUGE-OAHLLOKOSA-N 2 1 268.489 3.722 20 0 CHADMP CC1(C)CC[N@H+](CCc2cccc(Cl)c2)CC(C)(C)[NH2+]1 ZINC001207838162 1133851533 /nfs/dbraw/zinc/85/15/33/1133851533.db2.gz WUZXGXMOWPSCRJ-UHFFFAOYSA-N 2 1 294.870 3.735 20 0 CHADMP CC1(C)CC[N@@H+](CCc2cccc(Cl)c2)CC(C)(C)[NH2+]1 ZINC001207838162 1133851546 /nfs/dbraw/zinc/85/15/46/1133851546.db2.gz WUZXGXMOWPSCRJ-UHFFFAOYSA-N 2 1 294.870 3.735 20 0 CHADMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1F ZINC000165605421 1133871825 /nfs/dbraw/zinc/87/18/25/1133871825.db2.gz ADAIUCZXUCACHP-AWEZNQCLSA-N 2 1 290.426 3.659 20 0 CHADMP Cc1cccc([C@H]2CCC[N@@H+]2CC2(C)CC[NH+](C)CC2)c1 ZINC001208105776 1133876325 /nfs/dbraw/zinc/87/63/25/1133876325.db2.gz BRFBCIDVWUZDMP-GOSISDBHSA-N 2 1 286.463 3.864 20 0 CHADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@H](C3CCCCC3)C2)CC1 ZINC001208109260 1133877313 /nfs/dbraw/zinc/87/73/13/1133877313.db2.gz MLNMRJDLONAVQI-KRWDZBQOSA-N 2 1 278.484 3.621 20 0 CHADMP CC(C)C[N@@H+](Cc1ccccc1)CC1(C)CC[NH+](C)CC1 ZINC001208108073 1133877509 /nfs/dbraw/zinc/87/75/09/1133877509.db2.gz PJYPLDYHTNJATG-UHFFFAOYSA-N 2 1 288.479 3.877 20 0 CHADMP CC/C=C\CCC[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001208131900 1133882581 /nfs/dbraw/zinc/88/25/81/1133882581.db2.gz GMWJUNGWCRXKFY-SREVYHEPSA-N 2 1 266.473 3.785 20 0 CHADMP C[C@@H]1C[N@@H+](CC2(C[NH+](C)C)CCCC2)Cc2ccccc21 ZINC001208184147 1133901677 /nfs/dbraw/zinc/90/16/77/1133901677.db2.gz KLCVKXXISXTNIQ-MRXNPFEDSA-N 2 1 286.463 3.728 20 0 CHADMP C[NH+](C)CC1(C[N@@H+](C)[C@H]2CCc3ccccc32)CCCC1 ZINC001208189671 1133903249 /nfs/dbraw/zinc/90/32/49/1133903249.db2.gz YCRZMHYQGSWGOS-SFHVURJKSA-N 2 1 286.463 3.728 20 0 CHADMP C[C@@H]1c2ccccc2CC[N@@H+]1CC1(C[NH+](C)C)CCCC1 ZINC001208184460 1133903428 /nfs/dbraw/zinc/90/34/28/1133903428.db2.gz LLNPDWXPVBCBAL-MRXNPFEDSA-N 2 1 286.463 3.728 20 0 CHADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2c2ccccc2)C1 ZINC001208604598 1133918589 /nfs/dbraw/zinc/91/85/89/1133918589.db2.gz QZDJUGNBAFYWJW-SJLPKXTDSA-N 2 1 272.436 3.555 20 0 CHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2c2ccccc2)C1 ZINC001208604598 1133918593 /nfs/dbraw/zinc/91/85/93/1133918593.db2.gz QZDJUGNBAFYWJW-SJLPKXTDSA-N 2 1 272.436 3.555 20 0 CHADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2c2ccccc2)C1 ZINC001208604598 1133918595 /nfs/dbraw/zinc/91/85/95/1133918595.db2.gz QZDJUGNBAFYWJW-SJLPKXTDSA-N 2 1 272.436 3.555 20 0 CHADMP C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2c2ccccc2)C1 ZINC001208604598 1133918599 /nfs/dbraw/zinc/91/85/99/1133918599.db2.gz QZDJUGNBAFYWJW-SJLPKXTDSA-N 2 1 272.436 3.555 20 0 CHADMP CC[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC001208616994 1133919814 /nfs/dbraw/zinc/91/98/14/1133919814.db2.gz LTMAVWMUFNLCBB-OAHLLOKOSA-N 2 1 280.843 3.504 20 0 CHADMP CC[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC001208616994 1133919818 /nfs/dbraw/zinc/91/98/18/1133919818.db2.gz LTMAVWMUFNLCBB-OAHLLOKOSA-N 2 1 280.843 3.504 20 0 CHADMP CC[NH+](Cc1cccc(Cl)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC001208616994 1133919823 /nfs/dbraw/zinc/91/98/23/1133919823.db2.gz LTMAVWMUFNLCBB-OAHLLOKOSA-N 2 1 280.843 3.504 20 0 CHADMP CC[NH+](Cc1cccc(Cl)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208616994 1133919825 /nfs/dbraw/zinc/91/98/25/1133919825.db2.gz LTMAVWMUFNLCBB-OAHLLOKOSA-N 2 1 280.843 3.504 20 0 CHADMP C[C@H]1CCCCC[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208952415 1133965082 /nfs/dbraw/zinc/96/50/82/1133965082.db2.gz SCGMFHOKWXOPEB-HKUYNNGSSA-N 2 1 286.463 3.773 20 0 CHADMP C[C@H]1CCCCC[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208952415 1133965085 /nfs/dbraw/zinc/96/50/85/1133965085.db2.gz SCGMFHOKWXOPEB-HKUYNNGSSA-N 2 1 286.463 3.773 20 0 CHADMP C[C@H]1CCCCC[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208952415 1133965088 /nfs/dbraw/zinc/96/50/88/1133965088.db2.gz SCGMFHOKWXOPEB-HKUYNNGSSA-N 2 1 286.463 3.773 20 0 CHADMP C[N@@H+](CCC1CC1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208939111 1133965286 /nfs/dbraw/zinc/96/52/86/1133965286.db2.gz FDJRKASBNYJYGQ-LJQANCHMSA-N 2 1 286.463 3.631 20 0 CHADMP C[NH+](CCC1CC1)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208939111 1133965289 /nfs/dbraw/zinc/96/52/89/1133965289.db2.gz FDJRKASBNYJYGQ-LJQANCHMSA-N 2 1 286.463 3.631 20 0 CHADMP C[NH+](CCC1CC1)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208939111 1133965292 /nfs/dbraw/zinc/96/52/92/1133965292.db2.gz FDJRKASBNYJYGQ-LJQANCHMSA-N 2 1 286.463 3.631 20 0 CHADMP C[C@@H]1CC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001208950369 1133965386 /nfs/dbraw/zinc/96/53/86/1133965386.db2.gz SNYQSENBYGWFTL-LMMKCTJWSA-N 2 1 286.463 3.629 20 0 CHADMP C[C@@H]1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001208950369 1133965391 /nfs/dbraw/zinc/96/53/91/1133965391.db2.gz SNYQSENBYGWFTL-LMMKCTJWSA-N 2 1 286.463 3.629 20 0 CHADMP C[C@@H]1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001208950369 1133965395 /nfs/dbraw/zinc/96/53/95/1133965395.db2.gz SNYQSENBYGWFTL-LMMKCTJWSA-N 2 1 286.463 3.629 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3C[C@@H]4CCC[C@@H]4C3)C2)cc1 ZINC001208933152 1133965708 /nfs/dbraw/zinc/96/57/08/1133965708.db2.gz UCYBXQLZCOWFJF-AQNXPRMDSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3C[C@@H]4CCC[C@@H]4C3)C2)cc1 ZINC001208933152 1133965711 /nfs/dbraw/zinc/96/57/11/1133965711.db2.gz UCYBXQLZCOWFJF-AQNXPRMDSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3C[C@@H]4CCC[C@@H]4C3)C2)cc1 ZINC001208933152 1133965715 /nfs/dbraw/zinc/96/57/15/1133965715.db2.gz UCYBXQLZCOWFJF-AQNXPRMDSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC[C@H]4CCC[C@H]4C3)C2)cc1 ZINC001208943221 1133965908 /nfs/dbraw/zinc/96/59/08/1133965908.db2.gz SAPYMXCAWBJYSB-ZCNNSNEGSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@H]4CCC[C@H]4C3)C2)cc1 ZINC001208943221 1133965916 /nfs/dbraw/zinc/96/59/16/1133965916.db2.gz SAPYMXCAWBJYSB-ZCNNSNEGSA-N 2 1 298.474 3.631 20 0 CHADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@H]4CCC[C@H]4C3)C2)cc1 ZINC001208943221 1133965921 /nfs/dbraw/zinc/96/59/21/1133965921.db2.gz SAPYMXCAWBJYSB-ZCNNSNEGSA-N 2 1 298.474 3.631 20 0 CHADMP C[N@@H+](CC1CCC1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208935479 1133966793 /nfs/dbraw/zinc/96/67/93/1133966793.db2.gz KFGNLGLOKMXINP-IBGZPJMESA-N 2 1 286.463 3.631 20 0 CHADMP C[NH+](CC1CCC1)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208935479 1133966796 /nfs/dbraw/zinc/96/67/96/1133966796.db2.gz KFGNLGLOKMXINP-IBGZPJMESA-N 2 1 286.463 3.631 20 0 CHADMP C[NH+](CC1CCC1)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208935479 1133966801 /nfs/dbraw/zinc/96/68/01/1133966801.db2.gz KFGNLGLOKMXINP-IBGZPJMESA-N 2 1 286.463 3.631 20 0 CHADMP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCC34CC4)C2)cc1 ZINC001208939986 1133966924 /nfs/dbraw/zinc/96/69/24/1133966924.db2.gz MYZYPAGZCNMICF-IBGZPJMESA-N 2 1 298.474 3.917 20 0 CHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCC34CC4)C2)cc1 ZINC001208939986 1133966929 /nfs/dbraw/zinc/96/69/29/1133966929.db2.gz MYZYPAGZCNMICF-IBGZPJMESA-N 2 1 298.474 3.917 20 0 CHADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCCC34CC4)C2)cc1 ZINC001208939986 1133966934 /nfs/dbraw/zinc/96/69/34/1133966934.db2.gz MYZYPAGZCNMICF-IBGZPJMESA-N 2 1 298.474 3.917 20 0 CHADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCCC34CC4)C2)cc1 ZINC001208939986 1133966941 /nfs/dbraw/zinc/96/69/41/1133966941.db2.gz MYZYPAGZCNMICF-IBGZPJMESA-N 2 1 298.474 3.917 20 0 CHADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC001208947465 1133967145 /nfs/dbraw/zinc/96/71/45/1133967145.db2.gz KLTWQNMXUCUDDR-GOSISDBHSA-N 2 1 286.463 3.773 20 0 CHADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC001208947465 1133967148 /nfs/dbraw/zinc/96/71/48/1133967148.db2.gz KLTWQNMXUCUDDR-GOSISDBHSA-N 2 1 286.463 3.773 20 0 CHADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC001208947465 1133967153 /nfs/dbraw/zinc/96/71/53/1133967153.db2.gz KLTWQNMXUCUDDR-GOSISDBHSA-N 2 1 286.463 3.773 20 0 CHADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001208943274 1133968198 /nfs/dbraw/zinc/96/81/98/1133968198.db2.gz UBUHSGIVBMAJMG-MJGOQNOKSA-N 2 1 286.463 3.631 20 0 CHADMP C[C@@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208943274 1133968200 /nfs/dbraw/zinc/96/82/00/1133968200.db2.gz UBUHSGIVBMAJMG-MJGOQNOKSA-N 2 1 286.463 3.631 20 0 CHADMP C[C@@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208943274 1133968204 /nfs/dbraw/zinc/96/82/04/1133968204.db2.gz UBUHSGIVBMAJMG-MJGOQNOKSA-N 2 1 286.463 3.631 20 0 CHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3C[C@@H]4CCCC[C@H]4C3)C2)cc1 ZINC001208960263 1133969592 /nfs/dbraw/zinc/96/95/92/1133969592.db2.gz VKWPKXKPEJBACJ-AABGKKOBSA-N 2 1 298.474 3.631 20 0 CHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1CCc1cccs1 ZINC001209227103 1133991598 /nfs/dbraw/zinc/99/15/98/1133991598.db2.gz JAVFVTDFBAFHNK-JKSUJKDBSA-N 2 1 292.492 3.629 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CCc1cccs1 ZINC001209227103 1133991600 /nfs/dbraw/zinc/99/16/00/1133991600.db2.gz JAVFVTDFBAFHNK-JKSUJKDBSA-N 2 1 292.492 3.629 20 0 CHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1CCc1cccs1 ZINC001209227103 1133991604 /nfs/dbraw/zinc/99/16/04/1133991604.db2.gz JAVFVTDFBAFHNK-JKSUJKDBSA-N 2 1 292.492 3.629 20 0 CHADMP C[N@H+](CCC[NH+]1CCCCC1)Cc1cccc(Cl)c1 ZINC001209448662 1134025295 /nfs/dbraw/zinc/02/52/95/1134025295.db2.gz HBGLRYWBKQLWLD-UHFFFAOYSA-N 2 1 280.843 3.648 20 0 CHADMP C[N@@H+](CCC[NH+]1CCCCC1)Cc1cccc(Cl)c1 ZINC001209448662 1134025301 /nfs/dbraw/zinc/02/53/01/1134025301.db2.gz HBGLRYWBKQLWLD-UHFFFAOYSA-N 2 1 280.843 3.648 20 0 CHADMP CC[NH+](CC)Cc1ccc(Nc2cc(OC)cc[nH+]2)cc1 ZINC001209821434 1134071559 /nfs/dbraw/zinc/07/15/59/1134071559.db2.gz NEQKFYZZNXUHAB-UHFFFAOYSA-N 2 1 285.391 3.676 20 0 CHADMP c1cc2cc(Nc3c[nH+]ccc3N3CCCC3)ccc2c[nH+]1 ZINC001210046991 1134134259 /nfs/dbraw/zinc/13/42/59/1134134259.db2.gz DGSMRQGAYDLTJS-UHFFFAOYSA-N 2 1 290.370 3.974 20 0 CHADMP Cn1c[nH+]c2cccc(NC3=CC[C@@H]([NH+]4CCCC4)CC3)c21 ZINC001210714515 1134280247 /nfs/dbraw/zinc/28/02/47/1134280247.db2.gz XEEIFRSTIWMASA-OAHLLOKOSA-N 2 1 296.418 3.517 20 0 CHADMP Cc1cccc2[nH+]cc(Nc3cccc(C[NH+](C)C)c3F)n21 ZINC001216228470 1134812625 /nfs/dbraw/zinc/81/26/25/1134812625.db2.gz IEJRJBJWYSXMGS-UHFFFAOYSA-N 2 1 298.365 3.587 20 0 CHADMP CCCCc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001222148432 1135199878 /nfs/dbraw/zinc/19/98/78/1135199878.db2.gz OQKRHWSOMIWVIM-LJQANCHMSA-N 2 1 286.463 3.605 20 0 CHADMP CC(C)(C)CC[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222154963 1135201076 /nfs/dbraw/zinc/20/10/76/1135201076.db2.gz USCHRXLYBDKSLG-QGZVFWFLSA-N 2 1 266.473 3.668 20 0 CHADMP c1csc(CC[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222161855 1135203535 /nfs/dbraw/zinc/20/35/35/1135203535.db2.gz ROWQVSSXFMUVCM-QGZVFWFLSA-N 2 1 292.492 3.536 20 0 CHADMP Cc1cc(F)cc(C)c1C[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001222298473 1135219415 /nfs/dbraw/zinc/21/94/15/1135219415.db2.gz VJMOYRNZUZWENQ-UHFFFAOYSA-N 2 1 290.426 3.551 20 0 CHADMP CSc1ccccc1C[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001222297549 1135219451 /nfs/dbraw/zinc/21/94/51/1135219451.db2.gz HNDGWFPXPVLDCM-UHFFFAOYSA-N 2 1 290.476 3.517 20 0 CHADMP Fc1cc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)ccc1Cl ZINC001222308716 1135222472 /nfs/dbraw/zinc/22/24/72/1135222472.db2.gz LURZPMHIHNCFDU-INIZCTEOSA-N 2 1 296.817 3.587 20 0 CHADMP Fc1cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)ccc1Cl ZINC001222308716 1135222476 /nfs/dbraw/zinc/22/24/76/1135222476.db2.gz LURZPMHIHNCFDU-INIZCTEOSA-N 2 1 296.817 3.587 20 0 CHADMP Cc1cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)ccc1Cl ZINC001222315493 1135224481 /nfs/dbraw/zinc/22/44/81/1135224481.db2.gz NVFLROOSHXJXQI-KRWDZBQOSA-N 2 1 292.854 3.757 20 0 CHADMP c1cc2c(cccc2C[N@H+]2CCC[C@]23CCC[NH2+]CC3)o1 ZINC001222321424 1135225240 /nfs/dbraw/zinc/22/52/40/1135225240.db2.gz VVZCPHBOEOCSSD-SFHVURJKSA-N 2 1 284.403 3.541 20 0 CHADMP Cc1c(Cl)cccc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222321362 1135225359 /nfs/dbraw/zinc/22/53/59/1135225359.db2.gz UFRWHSQOBWUMTR-QGZVFWFLSA-N 2 1 292.854 3.757 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222344640 1135229914 /nfs/dbraw/zinc/22/99/14/1135229914.db2.gz BBJMYDKSQUROOX-ZWKOTPCHSA-N 2 1 278.484 3.977 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222344640 1135229920 /nfs/dbraw/zinc/22/99/20/1135229920.db2.gz BBJMYDKSQUROOX-ZWKOTPCHSA-N 2 1 278.484 3.977 20 0 CHADMP CC1(C[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)CCCCC1 ZINC001222385221 1135233622 /nfs/dbraw/zinc/23/36/22/1135233622.db2.gz HVYRLUUTWNJWRT-KRWDZBQOSA-N 2 1 264.457 3.565 20 0 CHADMP CCc1cccc(C)c1C[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222396881 1135236061 /nfs/dbraw/zinc/23/60/61/1135236061.db2.gz XIIIBJNTQABVTO-LJQANCHMSA-N 2 1 286.463 3.666 20 0 CHADMP CCc1cccc(C)c1C[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222396881 1135236063 /nfs/dbraw/zinc/23/60/63/1135236063.db2.gz XIIIBJNTQABVTO-LJQANCHMSA-N 2 1 286.463 3.666 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222422221 1135240498 /nfs/dbraw/zinc/24/04/98/1135240498.db2.gz SVNOOJGNRZNGMD-ZWKOTPCHSA-N 2 1 278.484 3.977 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222422221 1135240501 /nfs/dbraw/zinc/24/05/01/1135240501.db2.gz SVNOOJGNRZNGMD-ZWKOTPCHSA-N 2 1 278.484 3.977 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222464728 1135244852 /nfs/dbraw/zinc/24/48/52/1135244852.db2.gz DLGFAFNBJHCVOC-IRXDYDNUSA-N 2 1 264.457 3.587 20 0 CHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222464728 1135244856 /nfs/dbraw/zinc/24/48/56/1135244856.db2.gz DLGFAFNBJHCVOC-IRXDYDNUSA-N 2 1 264.457 3.587 20 0 CHADMP C[C@@H](CC[NH+]1CCC2(CCC[NH2+]2)CC1)CC(C)(C)C ZINC001226783961 1135740989 /nfs/dbraw/zinc/74/09/89/1135740989.db2.gz INDDYOOKNMTVGR-HNNXBMFYSA-N 2 1 266.473 3.667 20 0 CHADMP CC(C)=CCC[C@H](C)CC[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000574220675 335002340 /nfs/dbraw/zinc/00/23/40/335002340.db2.gz IXTHAAQJXJPVJL-IRXDYDNUSA-N 2 1 266.473 3.690 20 0 CHADMP CC[NH+](CC)[C@@H](C[NH2+]C1CCCCC1)CC(C)C ZINC000574477940 335023038 /nfs/dbraw/zinc/02/30/38/335023038.db2.gz PDRKFYNFROHQAT-MRXNPFEDSA-N 2 1 254.462 3.665 20 0 CHADMP CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000574766168 335046050 /nfs/dbraw/zinc/04/60/50/335046050.db2.gz FMAWGMXCFSASEH-WBVHZDCISA-N 2 1 277.456 3.547 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C)cc1 ZINC000221744320 262294212 /nfs/dbraw/zinc/29/42/12/262294212.db2.gz MMZSTQMJWWLDQV-UAGQMJEPSA-N 2 1 260.425 3.518 20 0 CHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C)cc1 ZINC000221744320 262294214 /nfs/dbraw/zinc/29/42/14/262294214.db2.gz MMZSTQMJWWLDQV-UAGQMJEPSA-N 2 1 260.425 3.518 20 0 CHADMP FCCCCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000342125930 130282753 /nfs/dbraw/zinc/28/27/53/130282753.db2.gz JJCBDNAAXLWCQV-UHFFFAOYSA-N 2 1 293.430 3.539 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cccc2ccccc21 ZINC000020136788 171024339 /nfs/dbraw/zinc/02/43/39/171024339.db2.gz KVLVFWODYMLDNE-AWEZNQCLSA-N 2 1 268.404 3.585 20 0 CHADMP COc1ccccc1[C@H](C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000020143230 171028862 /nfs/dbraw/zinc/02/88/62/171028862.db2.gz SHXKGZOMSRDJNI-ZDUSSCGKSA-N 2 1 290.451 3.655 20 0 CHADMP CCC1CCC([NH2+]CC[NH+](C(C)C)C(C)C)CC1 ZINC000021504433 171307277 /nfs/dbraw/zinc/30/72/77/171307277.db2.gz ZINABCQOKZVVSH-UHFFFAOYSA-N 2 1 254.462 3.664 20 0 CHADMP CC1CC[NH+](CCC[NH2+]Cc2ccc(Cl)s2)CC1 ZINC000021510960 171310287 /nfs/dbraw/zinc/31/02/87/171310287.db2.gz LDQJVNFVXKCRMD-UHFFFAOYSA-N 2 1 286.872 3.613 20 0 CHADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC000347045669 226026621 /nfs/dbraw/zinc/02/66/21/226026621.db2.gz NVFQACYZBBMNPR-UZLBHIALSA-N 2 1 294.442 3.913 20 0 CHADMP C[C@H]1CC2(C[N@H+]1Cc1cccc(C(F)F)c1)CC[NH2+]CC2 ZINC000335280508 226207911 /nfs/dbraw/zinc/20/79/11/226207911.db2.gz UCDSBMAQNVTYEZ-ZDUSSCGKSA-N 2 1 294.389 3.588 20 0 CHADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352757025 227207689 /nfs/dbraw/zinc/20/76/89/227207689.db2.gz CYZXIJHIUYVSAZ-OCCSQVGLSA-N 2 1 295.496 3.509 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cccc(CC(C)C)c1 ZINC000353499454 228111067 /nfs/dbraw/zinc/11/10/67/228111067.db2.gz UIDJMIMIYFSZCD-HNNXBMFYSA-N 2 1 285.435 3.741 20 0 CHADMP Cc1ccc(CCC[N@@H+](Cc2ccccc2)C2CC2)cn1 ZINC000353365716 228091198 /nfs/dbraw/zinc/09/11/98/228091198.db2.gz VTAZIQZJYVLCAN-UHFFFAOYSA-N 2 1 280.415 3.987 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[C@H]2C)cc1 ZINC000353777239 228152372 /nfs/dbraw/zinc/15/23/72/228152372.db2.gz XDSMBAGTRYFRRW-IGCXYCKISA-N 2 1 269.392 3.630 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2ccccc2[C@H]1C ZINC000179426206 260047783 /nfs/dbraw/zinc/04/77/83/260047783.db2.gz FWUSFVCKOHCWRV-OAHLLOKOSA-N 2 1 283.419 3.591 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2ccccc2[C@H]1C ZINC000179426206 260047785 /nfs/dbraw/zinc/04/77/85/260047785.db2.gz FWUSFVCKOHCWRV-OAHLLOKOSA-N 2 1 283.419 3.591 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[C@@H](C)c2c1cccc2C ZINC000179419403 260048161 /nfs/dbraw/zinc/04/81/61/260048161.db2.gz NBTSRKQPMIVBFS-SIIHOXLZSA-N 2 1 297.446 3.974 20 0 CHADMP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1Cl ZINC000180437719 260101801 /nfs/dbraw/zinc/10/18/01/260101801.db2.gz JAAPXWULQYUZIK-HIFRSBDPSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1Cl ZINC000180437719 260101802 /nfs/dbraw/zinc/10/18/02/260101802.db2.gz JAAPXWULQYUZIK-HIFRSBDPSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1Cl ZINC000180437719 260101804 /nfs/dbraw/zinc/10/18/04/260101804.db2.gz JAAPXWULQYUZIK-HIFRSBDPSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1Cl ZINC000180437719 260101806 /nfs/dbraw/zinc/10/18/06/260101806.db2.gz JAAPXWULQYUZIK-HIFRSBDPSA-N 2 1 280.843 3.563 20 0 CHADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000037649103 260115382 /nfs/dbraw/zinc/11/53/82/260115382.db2.gz CPWICGKPQTUAFJ-DYVFJYSZSA-N 2 1 292.854 3.865 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000037649139 260115599 /nfs/dbraw/zinc/11/55/99/260115599.db2.gz MBWCJTLJAHBZCI-GUYCJALGSA-N 2 1 292.854 3.865 20 0 CHADMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC000086955380 260210825 /nfs/dbraw/zinc/21/08/25/260210825.db2.gz HKIZMPDMIBBHOW-LSDHHAIUSA-N 2 1 266.473 3.665 20 0 CHADMP C[NH+]1CCC([NH2+][C@H]2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC000086955376 260211020 /nfs/dbraw/zinc/21/10/20/260211020.db2.gz HKIZMPDMIBBHOW-GJZGRUSLSA-N 2 1 266.473 3.665 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC23CCCCC3)CC[N@@H+]1C ZINC000312991785 260229352 /nfs/dbraw/zinc/22/93/52/260229352.db2.gz NISSQBQMIMLIGG-OAGGEKHMSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC23CCCCC3)CC[N@H+]1C ZINC000312991785 260229354 /nfs/dbraw/zinc/22/93/54/260229354.db2.gz NISSQBQMIMLIGG-OAGGEKHMSA-N 2 1 264.457 3.562 20 0 CHADMP CSc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000091959901 260267217 /nfs/dbraw/zinc/26/72/17/260267217.db2.gz LJMYAGNKCUUPPZ-YDHLFZDLSA-N 2 1 278.465 3.542 20 0 CHADMP CSc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000091959901 260267219 /nfs/dbraw/zinc/26/72/19/260267219.db2.gz LJMYAGNKCUUPPZ-YDHLFZDLSA-N 2 1 278.465 3.542 20 0 CHADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000313428951 260293143 /nfs/dbraw/zinc/29/31/43/260293143.db2.gz OSANKKKQJWFYAB-IKGGRYGDSA-N 2 1 264.457 3.562 20 0 CHADMP CCC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)C1CCCC1 ZINC000449075693 261151026 /nfs/dbraw/zinc/15/10/26/261151026.db2.gz RLXHRTWIHNUGIU-WMLDXEAASA-N 2 1 277.456 3.776 20 0 CHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccco1 ZINC000157890936 261154528 /nfs/dbraw/zinc/15/45/28/261154528.db2.gz ULWIRZDMIORSBA-CABCVRRESA-N 2 1 264.413 3.585 20 0 CHADMP CC[NH+](CC)[C@@H](CNc1cc(C)[nH+]c(C)n1)c1ccccc1 ZINC000301089080 261330159 /nfs/dbraw/zinc/33/01/59/261330159.db2.gz RJMRRAYKAMQMLW-KRWDZBQOSA-N 2 1 298.434 3.588 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000164592990 261355310 /nfs/dbraw/zinc/35/53/10/261355310.db2.gz QIQBTGPTHIKTNA-MRXNPFEDSA-N 2 1 299.462 3.928 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cncc(C)c2)c1 ZINC000184344432 262017499 /nfs/dbraw/zinc/01/74/99/262017499.db2.gz WKXOQWVBZWHSJG-MRXNPFEDSA-N 2 1 297.446 3.693 20 0 CHADMP Cc1cncc([C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)c1 ZINC000184376273 262018118 /nfs/dbraw/zinc/01/81/18/262018118.db2.gz ZSUYDJJOAAUZDM-MRXNPFEDSA-N 2 1 277.456 3.550 20 0 CHADMP Cc1ccc(SC[C@@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000186471010 262094558 /nfs/dbraw/zinc/09/45/58/262094558.db2.gz ZHGUTISOVCOGEZ-BZUAXINKSA-N 2 1 292.492 3.548 20 0 CHADMP Cc1ccc(SC[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000186471010 262094559 /nfs/dbraw/zinc/09/45/59/262094559.db2.gz ZHGUTISOVCOGEZ-BZUAXINKSA-N 2 1 292.492 3.548 20 0 CHADMP CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000514085698 262159876 /nfs/dbraw/zinc/15/98/76/262159876.db2.gz WQXFPZSTEQYWJL-CEXWTWQISA-N 2 1 286.463 3.677 20 0 CHADMP CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000514085700 262159914 /nfs/dbraw/zinc/15/99/14/262159914.db2.gz WQXFPZSTEQYWJL-GUDVDZBRSA-N 2 1 286.463 3.677 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CCC2)[C@H]2CCC[C@@H]21 ZINC000514088534 262185322 /nfs/dbraw/zinc/18/53/22/262185322.db2.gz MBNVPHFZMMMIDW-QYZOEREBSA-N 2 1 298.474 3.571 20 0 CHADMP CC(C)C[C@H](C)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000499627019 262204713 /nfs/dbraw/zinc/20/47/13/262204713.db2.gz RETPPRISYJQMIG-BBWFWOEESA-N 2 1 280.500 3.911 20 0 CHADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(F)cc1 ZINC000019913067 262205934 /nfs/dbraw/zinc/20/59/34/262205934.db2.gz QRVPFUQPXOKAHO-CABCVRRESA-N 2 1 278.415 3.741 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000390530882 262209731 /nfs/dbraw/zinc/20/97/31/262209731.db2.gz DRGLFUIYVRUDOC-YJBOKZPZSA-N 2 1 286.463 3.675 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000390530882 262209732 /nfs/dbraw/zinc/20/97/32/262209732.db2.gz DRGLFUIYVRUDOC-YJBOKZPZSA-N 2 1 286.463 3.675 20 0 CHADMP CC[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390563498 262218485 /nfs/dbraw/zinc/21/84/85/262218485.db2.gz NAEYEJLITPOOBJ-FUHWJXTLSA-N 2 1 288.479 3.923 20 0 CHADMP CC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390563498 262218486 /nfs/dbraw/zinc/21/84/86/262218486.db2.gz NAEYEJLITPOOBJ-FUHWJXTLSA-N 2 1 288.479 3.923 20 0 CHADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000502721299 262225906 /nfs/dbraw/zinc/22/59/06/262225906.db2.gz IPDYHIFIXGMJKG-IRXDYDNUSA-N 2 1 292.854 3.961 20 0 CHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000502721299 262225909 /nfs/dbraw/zinc/22/59/09/262225909.db2.gz IPDYHIFIXGMJKG-IRXDYDNUSA-N 2 1 292.854 3.961 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000502721299 262225910 /nfs/dbraw/zinc/22/59/10/262225910.db2.gz IPDYHIFIXGMJKG-IRXDYDNUSA-N 2 1 292.854 3.961 20 0 CHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000502721299 262225911 /nfs/dbraw/zinc/22/59/11/262225911.db2.gz IPDYHIFIXGMJKG-IRXDYDNUSA-N 2 1 292.854 3.961 20 0 CHADMP C[C@@H](NCCC[N@@H+](C)C1CCCCC1)c1cncc(F)c1 ZINC000120776825 262230174 /nfs/dbraw/zinc/23/01/74/262230174.db2.gz CQNQJXZXVFLHQV-CQSZACIVSA-N 2 1 293.430 3.526 20 0 CHADMP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1cncc(F)c1 ZINC000120776825 262230175 /nfs/dbraw/zinc/23/01/75/262230175.db2.gz CQNQJXZXVFLHQV-CQSZACIVSA-N 2 1 293.430 3.526 20 0 CHADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cncc(F)c1 ZINC000120776825 262230177 /nfs/dbraw/zinc/23/01/77/262230177.db2.gz CQNQJXZXVFLHQV-CQSZACIVSA-N 2 1 293.430 3.526 20 0 CHADMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1F ZINC000020143276 262231468 /nfs/dbraw/zinc/23/14/68/262231468.db2.gz AOIPLRHRTHTQRD-LBPRGKRZSA-N 2 1 278.415 3.786 20 0 CHADMP CC(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390730141 262248012 /nfs/dbraw/zinc/24/80/12/262248012.db2.gz NBEGSIWBFMTUSX-QGZVFWFLSA-N 2 1 274.452 3.533 20 0 CHADMP CC(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390730141 262248013 /nfs/dbraw/zinc/24/80/13/262248013.db2.gz NBEGSIWBFMTUSX-QGZVFWFLSA-N 2 1 274.452 3.533 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCC23CCCC3)CC[N@@H+]1C ZINC000311429850 262249612 /nfs/dbraw/zinc/24/96/12/262249612.db2.gz CMKCGHFNZALTBR-OAGGEKHMSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCC23CCCC3)CC[N@H+]1C ZINC000311429850 262249614 /nfs/dbraw/zinc/24/96/14/262249614.db2.gz CMKCGHFNZALTBR-OAGGEKHMSA-N 2 1 264.457 3.562 20 0 CHADMP CC[C@H](C)[C@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000020552316 262250461 /nfs/dbraw/zinc/25/04/61/262250461.db2.gz TYUXYVSIWYYNNQ-HOTGVXAUSA-N 2 1 262.441 3.533 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCc2sccc21 ZINC000061324534 262393985 /nfs/dbraw/zinc/39/39/85/262393985.db2.gz YFBSIWLQXVZCIZ-GOEBONIOSA-N 2 1 292.492 3.980 20 0 CHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000414170845 262813469 /nfs/dbraw/zinc/81/34/69/262813469.db2.gz CKDRDQNUXGXLAN-GOEBONIOSA-N 2 1 290.476 3.545 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C(C)(C)c1ccccc1 ZINC000414177083 262814771 /nfs/dbraw/zinc/81/47/71/262814771.db2.gz JMFMJZFWOXJBAY-IRXDYDNUSA-N 2 1 288.479 3.674 20 0 CHADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2csc3ccccc23)CC[NH2+]1 ZINC000414691675 263032839 /nfs/dbraw/zinc/03/28/39/263032839.db2.gz AAKGQXSQSAYXSR-KGLIPLIRSA-N 2 1 288.460 3.721 20 0 CHADMP [NH3+]CCC[N@H+]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414700011 263033218 /nfs/dbraw/zinc/03/32/18/263033218.db2.gz ULMNYNKIVKUPRL-CQSZACIVSA-N 2 1 286.341 3.581 20 0 CHADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC000414703965 263033230 /nfs/dbraw/zinc/03/32/30/263033230.db2.gz VYMQHFBLXPYFGN-IJEWVQPXSA-N 2 1 292.854 3.517 20 0 CHADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCC[C@@H](CC[NH3+])C2)C1 ZINC000414746261 263037312 /nfs/dbraw/zinc/03/73/12/263037312.db2.gz YUDYIFAASXFGMA-WDSOQIARSA-N 2 1 286.463 3.558 20 0 CHADMP c1ccc2cc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)ccc2c1 ZINC000414787708 263048291 /nfs/dbraw/zinc/04/82/91/263048291.db2.gz VXGXBTZJLQVLOH-UXHICEINSA-N 2 1 294.442 3.661 20 0 CHADMP C[C@@H](CCc1cccc(F)c1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414835803 263056973 /nfs/dbraw/zinc/05/69/73/263056973.db2.gz HXMGPZDKABPRTI-KBXCAEBGSA-N 2 1 292.442 3.644 20 0 CHADMP C[C@@H](CCc1ccc(F)cc1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414855085 263071727 /nfs/dbraw/zinc/07/17/27/263071727.db2.gz WDEIBWWTCFDBFS-KBXCAEBGSA-N 2 1 292.442 3.644 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]CC2(C3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000340310289 263108868 /nfs/dbraw/zinc/10/88/68/263108868.db2.gz WMTULADHKZTTHB-ZWKOTPCHSA-N 2 1 284.447 3.602 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC2(C3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000340310289 263108869 /nfs/dbraw/zinc/10/88/69/263108869.db2.gz WMTULADHKZTTHB-ZWKOTPCHSA-N 2 1 284.447 3.602 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3)cc2F)CC[NH2+]1 ZINC000414943590 263153075 /nfs/dbraw/zinc/15/30/75/263153075.db2.gz FORWZYNNUHSYAJ-KDOFPFPSSA-N 2 1 298.405 3.723 20 0 CHADMP CCC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(F)cc1F ZINC000415078297 263267913 /nfs/dbraw/zinc/26/79/13/263267913.db2.gz GKRHZUKIPNEGNK-XJKSGUPXSA-N 2 1 282.378 3.538 20 0 CHADMP CCC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(F)cc1F ZINC000415078292 263268105 /nfs/dbraw/zinc/26/81/05/263268105.db2.gz GKRHZUKIPNEGNK-BBRMVZONSA-N 2 1 282.378 3.538 20 0 CHADMP CC(C)(C)CC[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000187816851 263269511 /nfs/dbraw/zinc/26/95/11/263269511.db2.gz KPSNRJSVHKQDRN-GOSISDBHSA-N 2 1 288.479 3.577 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccc(Cl)c1Cl ZINC000415091256 263272771 /nfs/dbraw/zinc/27/27/71/263272771.db2.gz QDAVFYGHYLQATO-MNOVXSKESA-N 2 1 287.234 3.644 20 0 CHADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1F ZINC000415106142 263273935 /nfs/dbraw/zinc/27/39/35/263273935.db2.gz MQMUYVIGGXXQOS-IEBWSBKVSA-N 2 1 298.405 3.717 20 0 CHADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@H]2CCC[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000415113856 263274277 /nfs/dbraw/zinc/27/42/77/263274277.db2.gz SABYJFAHGXZXHF-RWQQGDIJSA-N 2 1 286.463 3.643 20 0 CHADMP CCSc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000425952057 264070660 /nfs/dbraw/zinc/07/06/60/264070660.db2.gz RPGSMIPQGUTECH-ZIAGYGMSSA-N 2 1 280.481 3.647 20 0 CHADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000425958542 264226622 /nfs/dbraw/zinc/22/66/22/264226622.db2.gz NTLZTNJBEVGVND-VFVRVIDISA-N 2 1 290.426 3.521 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000425958542 264226624 /nfs/dbraw/zinc/22/66/24/264226624.db2.gz NTLZTNJBEVGVND-VFVRVIDISA-N 2 1 290.426 3.521 20 0 CHADMP CC(C)C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000093978102 265206404 /nfs/dbraw/zinc/20/64/04/265206404.db2.gz VVEXBXDTJRSNSK-NJAFHUGGSA-N 2 1 274.452 3.846 20 0 CHADMP CC(C)C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000093978102 265206406 /nfs/dbraw/zinc/20/64/06/265206406.db2.gz VVEXBXDTJRSNSK-NJAFHUGGSA-N 2 1 274.452 3.846 20 0 CHADMP C[N@@H+](CCC[NH2+][C@H]1CC(C)(C)OC1(C)C)C1CCCCC1 ZINC000094423979 265243159 /nfs/dbraw/zinc/24/31/59/265243159.db2.gz PEQDHFIBLIEMKH-INIZCTEOSA-N 2 1 296.499 3.577 20 0 CHADMP CSC1(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)CCC1 ZINC000356184005 266065071 /nfs/dbraw/zinc/06/50/71/266065071.db2.gz RVCBXGBOTRKSJL-OAHLLOKOSA-N 2 1 284.513 3.516 20 0 CHADMP CC[C@@H](C)[N@@H+](C)CCNc1cc[nH+]c2cc(F)ccc12 ZINC000357260156 266267957 /nfs/dbraw/zinc/26/79/57/266267957.db2.gz IALNLRGCHOCQIP-GFCCVEGCSA-N 2 1 275.371 3.516 20 0 CHADMP CC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)c1cc(C)ccc1OC ZINC000357779804 266359310 /nfs/dbraw/zinc/35/93/10/266359310.db2.gz SRFAXSYZHJYKOA-QGZVFWFLSA-N 2 1 292.467 3.775 20 0 CHADMP CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1cc(C)ccc1OC ZINC000357779804 266359312 /nfs/dbraw/zinc/35/93/12/266359312.db2.gz SRFAXSYZHJYKOA-QGZVFWFLSA-N 2 1 292.467 3.775 20 0 CHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CCC3(CC3)CC2)C1 ZINC000362919088 267061044 /nfs/dbraw/zinc/06/10/44/267061044.db2.gz RJKSZXLMMGMJAO-MRXNPFEDSA-N 2 1 278.484 3.811 20 0 CHADMP CCCCc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000314802914 267079268 /nfs/dbraw/zinc/07/92/68/267079268.db2.gz NWQLVZJYBFOGLV-HNNXBMFYSA-N 2 1 285.435 3.885 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1nccc2ccccc21 ZINC000368126690 267146609 /nfs/dbraw/zinc/14/66/09/267146609.db2.gz SVSCLYLGRLRQJZ-UAGQMJEPSA-N 2 1 295.430 3.512 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1nccc2ccccc21 ZINC000368126690 267146611 /nfs/dbraw/zinc/14/66/11/267146611.db2.gz SVSCLYLGRLRQJZ-UAGQMJEPSA-N 2 1 295.430 3.512 20 0 CHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H]1CC=CCC1 ZINC000119086788 267296308 /nfs/dbraw/zinc/29/63/08/267296308.db2.gz GPUHUZFNIPVCPB-SJORKVTESA-N 2 1 264.457 3.587 20 0 CHADMP Cc1cc(Cl)cc(C)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000371088930 267350323 /nfs/dbraw/zinc/35/03/23/267350323.db2.gz PTZPVLVLAWXDSN-HZPDHXFCSA-N 2 1 292.854 3.673 20 0 CHADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000580301818 327773521 /nfs/dbraw/zinc/77/35/21/327773521.db2.gz NMAUEARWLGQVLE-JTQLQIEISA-N 2 1 275.223 3.644 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(C)cc1Cl ZINC000563252162 328000931 /nfs/dbraw/zinc/00/09/31/328000931.db2.gz MGCOVLASZPJVSA-CYBMUJFWSA-N 2 1 291.826 3.579 20 0 CHADMP C[C@@H]([NH2+][C@H](C)C(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000563270776 328005726 /nfs/dbraw/zinc/00/57/26/328005726.db2.gz AIFDJUFQKVXSLL-JFIYKMOQSA-N 2 1 288.479 3.921 20 0 CHADMP CC[N@H+]1CC[C@@H](NCc2ccc(-c3ccccc3)o2)[C@H](C)C1 ZINC000531683889 328021058 /nfs/dbraw/zinc/02/10/58/328021058.db2.gz SEJBQIMSLBZVEA-CRAIPNDOSA-N 2 1 298.430 3.767 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3)o2)[C@H](C)C1 ZINC000531683889 328021061 /nfs/dbraw/zinc/02/10/61/328021061.db2.gz SEJBQIMSLBZVEA-CRAIPNDOSA-N 2 1 298.430 3.767 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCCC1CCCC1 ZINC000531729103 328023991 /nfs/dbraw/zinc/02/39/91/328023991.db2.gz AEXJQQVMZIAYAH-BFYDXBDKSA-N 2 1 266.473 3.665 20 0 CHADMP CC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000531691488 328024590 /nfs/dbraw/zinc/02/45/90/328024590.db2.gz NFKQCVMBGMJCCK-HZPDHXFCSA-N 2 1 274.452 3.807 20 0 CHADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1ccccc1Cl ZINC000534019864 328033092 /nfs/dbraw/zinc/03/30/92/328033092.db2.gz LTGOTTGCWSGMFB-RHSMWYFYSA-N 2 1 292.854 3.961 20 0 CHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1ccccc1Cl ZINC000534019864 328033093 /nfs/dbraw/zinc/03/30/93/328033093.db2.gz LTGOTTGCWSGMFB-RHSMWYFYSA-N 2 1 292.854 3.961 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000534019864 328033095 /nfs/dbraw/zinc/03/30/95/328033095.db2.gz LTGOTTGCWSGMFB-RHSMWYFYSA-N 2 1 292.854 3.961 20 0 CHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000534019864 328033096 /nfs/dbraw/zinc/03/30/96/328033096.db2.gz LTGOTTGCWSGMFB-RHSMWYFYSA-N 2 1 292.854 3.961 20 0 CHADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](CCC2CC2)CC3)cc1 ZINC000534232785 328040096 /nfs/dbraw/zinc/04/00/96/328040096.db2.gz QLXBIVJBPWNDFV-UHFFFAOYSA-N 2 1 298.474 3.775 20 0 CHADMP CC(C)[C@@H](C)[NH+](C)CCCC[N@H+](C)[C@@H](C)C(C)C ZINC000534274713 328043319 /nfs/dbraw/zinc/04/33/19/328043319.db2.gz AIGWPYXPGPCZQH-IYBDPMFKSA-N 2 1 256.478 3.719 20 0 CHADMP CC(C)[C@@H](C)[N@@H+](C)CCCC[NH+](C)[C@@H](C)C(C)C ZINC000534274713 328043320 /nfs/dbraw/zinc/04/33/20/328043320.db2.gz AIGWPYXPGPCZQH-IYBDPMFKSA-N 2 1 256.478 3.719 20 0 CHADMP CC(C)[C@@H](C)[N@H+](C)CCCC[NH+](C)[C@@H](C)C(C)C ZINC000534274713 328043321 /nfs/dbraw/zinc/04/33/21/328043321.db2.gz AIGWPYXPGPCZQH-IYBDPMFKSA-N 2 1 256.478 3.719 20 0 CHADMP CC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1cccs1 ZINC000178700350 329202508 /nfs/dbraw/zinc/20/25/08/329202508.db2.gz HRRQJSACFJFXGR-GXTWGEPZSA-N 2 1 277.437 3.630 20 0 CHADMP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296064926 328288826 /nfs/dbraw/zinc/28/88/26/328288826.db2.gz WESDGZPMESYEEW-XTOXLMAPSA-N 2 1 284.447 3.758 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000453408638 328302900 /nfs/dbraw/zinc/30/29/00/328302900.db2.gz FNGRAJAWAJEVJO-CYBMUJFWSA-N 2 1 280.843 3.865 20 0 CHADMP CCSCC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000531910267 328308279 /nfs/dbraw/zinc/30/82/79/328308279.db2.gz LELCNXSATLFODV-MRXNPFEDSA-N 2 1 298.540 3.716 20 0 CHADMP CC(C)[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000531947346 328328550 /nfs/dbraw/zinc/32/85/50/328328550.db2.gz VPGNDGFBZPFJBW-SOLBZPMBSA-N 2 1 280.500 3.769 20 0 CHADMP CC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC000531958281 328340516 /nfs/dbraw/zinc/34/05/16/328340516.db2.gz BLTZUVWQEZAXGS-ZWKOTPCHSA-N 2 1 274.452 3.807 20 0 CHADMP C[NH2+]C1CC[NH+]([C@@H](C)c2ccc(C(C)(C)C)cc2)CC1 ZINC000261706127 327007019 /nfs/dbraw/zinc/00/70/19/327007019.db2.gz JAKHMOUIPRATJY-AWEZNQCLSA-N 2 1 274.452 3.729 20 0 CHADMP CCC[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000576681646 327037673 /nfs/dbraw/zinc/03/76/73/327037673.db2.gz BORDJRCAKOVRCS-YOEHRIQHSA-N 2 1 264.457 3.562 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000558242404 327080966 /nfs/dbraw/zinc/08/09/66/327080966.db2.gz XPMBOGRBHLKKFZ-TTYHFUOFSA-N 2 1 298.474 3.675 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000558242404 327080968 /nfs/dbraw/zinc/08/09/68/327080968.db2.gz XPMBOGRBHLKKFZ-TTYHFUOFSA-N 2 1 298.474 3.675 20 0 CHADMP CCC(CC)(CC)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000090400291 327096164 /nfs/dbraw/zinc/09/61/64/327096164.db2.gz LVKQHCFORLIKBF-RRFJBIMHSA-N 2 1 254.462 3.521 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000558569601 327106912 /nfs/dbraw/zinc/10/69/12/327106912.db2.gz KEJFUMJFJBKFGJ-JKSUJKDBSA-N 2 1 262.441 3.500 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000558569601 327106913 /nfs/dbraw/zinc/10/69/13/327106913.db2.gz KEJFUMJFJBKFGJ-JKSUJKDBSA-N 2 1 262.441 3.500 20 0 CHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000558699248 327115462 /nfs/dbraw/zinc/11/54/62/327115462.db2.gz FTBHGLNHBZOLKW-IPMKNSEASA-N 2 1 286.463 3.805 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261597676 327151760 /nfs/dbraw/zinc/15/17/60/327151760.db2.gz ATBSQOGTTQQEHN-CCKFTAQKSA-N 2 1 280.415 3.585 20 0 CHADMP Cc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC000520950428 327192040 /nfs/dbraw/zinc/19/20/40/327192040.db2.gz UGKXEGRMFRDWJL-MRXNPFEDSA-N 2 1 288.479 3.905 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)C1 ZINC000536496437 327241500 /nfs/dbraw/zinc/24/15/00/327241500.db2.gz GZRZJOZVFBDJPR-CXAGYDPISA-N 2 1 292.854 3.649 20 0 CHADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000559788123 327261291 /nfs/dbraw/zinc/26/12/91/327261291.db2.gz DHJIPZWINZGHNB-DSLXNQLJSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000559788123 327261293 /nfs/dbraw/zinc/26/12/93/327261293.db2.gz DHJIPZWINZGHNB-DSLXNQLJSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCC[C@H]3F)CC2)C1 ZINC000559920476 327271847 /nfs/dbraw/zinc/27/18/47/327271847.db2.gz ZPSWHTJVTYNZGZ-XBVQOTNRSA-N 2 1 282.447 3.510 20 0 CHADMP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000560537671 327320973 /nfs/dbraw/zinc/32/09/73/327320973.db2.gz QGUOPYXFIQAIEV-CEXWTWQISA-N 2 1 286.463 3.533 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C2CCCC2)[C@@H]2CCC[C@H]21 ZINC000560542675 327321953 /nfs/dbraw/zinc/32/19/53/327321953.db2.gz FCZUOPIFOLVPMN-YESZJQIVSA-N 2 1 278.484 3.665 20 0 CHADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000560594614 327329048 /nfs/dbraw/zinc/32/90/48/327329048.db2.gz FOMNECPNWZIVGD-FGTMMUONSA-N 2 1 278.484 3.621 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)C1 ZINC000560594614 327329049 /nfs/dbraw/zinc/32/90/49/327329049.db2.gz FOMNECPNWZIVGD-FGTMMUONSA-N 2 1 278.484 3.621 20 0 CHADMP CC[C@@H]1CCC[C@H](C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000560594614 327329050 /nfs/dbraw/zinc/32/90/50/327329050.db2.gz FOMNECPNWZIVGD-FGTMMUONSA-N 2 1 278.484 3.621 20 0 CHADMP C[C@H](CC[NH2+][C@@H]1CC[C@@H]1C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000582128622 327358599 /nfs/dbraw/zinc/35/85/99/327358599.db2.gz YVWVEGBJJJHKKP-ATZDWAIDSA-N 2 1 286.463 3.675 20 0 CHADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000570389145 327587933 /nfs/dbraw/zinc/58/79/33/327587933.db2.gz OKLMANBNPSZQAN-OAHLLOKOSA-N 2 1 296.842 3.531 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@H](C(C)C)[C@@H](C)C1 ZINC000536138305 328657842 /nfs/dbraw/zinc/65/78/42/328657842.db2.gz XVKODLVDVQFBQE-CYGHRXIMSA-N 2 1 291.483 3.878 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCC2(CCCC2)CC1 ZINC000352835444 328811820 /nfs/dbraw/zinc/81/18/20/328811820.db2.gz OZIGMZFDCMIABT-HNNXBMFYSA-N 2 1 289.467 3.920 20 0 CHADMP CC1=CCC[C@@H](C)[C@@H]1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377621156 329021014 /nfs/dbraw/zinc/02/10/14/329021014.db2.gz GPIRWPRBUFGQQL-FNNOIMFVSA-N 2 1 276.468 3.536 20 0 CHADMP CC1=CCC[C@@H](C)[C@@H]1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377621156 329021016 /nfs/dbraw/zinc/02/10/16/329021016.db2.gz GPIRWPRBUFGQQL-FNNOIMFVSA-N 2 1 276.468 3.536 20 0 CHADMP CC1=CCC[C@@H](C)[C@@H]1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000377621156 329021017 /nfs/dbraw/zinc/02/10/17/329021017.db2.gz GPIRWPRBUFGQQL-FNNOIMFVSA-N 2 1 276.468 3.536 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2ccccc2n1 ZINC000360038260 329070473 /nfs/dbraw/zinc/07/04/73/329070473.db2.gz UBRRFCATMJLZBB-USXIJHARSA-N 2 1 295.430 3.512 20 0 CHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2ccccc2n1 ZINC000360038260 329070475 /nfs/dbraw/zinc/07/04/75/329070475.db2.gz UBRRFCATMJLZBB-USXIJHARSA-N 2 1 295.430 3.512 20 0 CHADMP C[C@H]([NH2+]CCCC1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000394547916 329125883 /nfs/dbraw/zinc/12/58/83/329125883.db2.gz FSIQHMZCYPKYCD-LPHOPBHVSA-N 2 1 286.463 3.677 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(SC)cc2)[C@H](C)C1 ZINC000174775711 329161168 /nfs/dbraw/zinc/16/11/68/329161168.db2.gz XTTHDYXQRXGRAP-RHSMWYFYSA-N 2 1 292.492 3.571 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(SC)cc2)[C@H](C)C1 ZINC000174775711 329161170 /nfs/dbraw/zinc/16/11/70/329161170.db2.gz XTTHDYXQRXGRAP-RHSMWYFYSA-N 2 1 292.492 3.571 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(SC)cc2)[C@H](C)C1 ZINC000174775711 329161172 /nfs/dbraw/zinc/16/11/72/329161172.db2.gz XTTHDYXQRXGRAP-RHSMWYFYSA-N 2 1 292.492 3.571 20 0 CHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)C1CCC1 ZINC000178011903 329191456 /nfs/dbraw/zinc/19/14/56/329191456.db2.gz BYOPVUZLNYWDKS-OAHLLOKOSA-N 2 1 274.452 3.805 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CCC1 ZINC000178233643 329194926 /nfs/dbraw/zinc/19/49/26/329194926.db2.gz KKESHEAPMYKGOJ-HUUCEWRRSA-N 2 1 292.492 3.738 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CCC1 ZINC000178233643 329194927 /nfs/dbraw/zinc/19/49/27/329194927.db2.gz KKESHEAPMYKGOJ-HUUCEWRRSA-N 2 1 292.492 3.738 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C1CCC1 ZINC000178793628 329200442 /nfs/dbraw/zinc/20/04/42/329200442.db2.gz LWONBRDRMWTBEG-LXZKKBNFSA-N 2 1 292.492 3.909 20 0 CHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CCC1 ZINC000178793628 329200443 /nfs/dbraw/zinc/20/04/43/329200443.db2.gz LWONBRDRMWTBEG-LXZKKBNFSA-N 2 1 292.492 3.909 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)C2CCC2)cc1F ZINC000178625155 329201599 /nfs/dbraw/zinc/20/15/99/329201599.db2.gz XYVYHFRYUGAJQI-GFCCVEGCSA-N 2 1 287.382 3.598 20 0 CHADMP CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1cccs1 ZINC000178700341 329202502 /nfs/dbraw/zinc/20/25/02/329202502.db2.gz HRRQJSACFJFXGR-JSGCOSHPSA-N 2 1 277.437 3.630 20 0 CHADMP Cc1cc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(C)s1 ZINC000178696905 329202506 /nfs/dbraw/zinc/20/25/06/329202506.db2.gz GGEUKWMXJFDFBV-YPMHNXCESA-N 2 1 291.464 3.857 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCCc2ccccc21 ZINC000178704990 329202543 /nfs/dbraw/zinc/20/25/43/329202543.db2.gz BPIZYQFFKOSFFU-KXBFYZLASA-N 2 1 297.446 3.885 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCCc2ccccc21 ZINC000178704978 329202790 /nfs/dbraw/zinc/20/27/90/329202790.db2.gz BPIZYQFFKOSFFU-DNVCBOLYSA-N 2 1 297.446 3.885 20 0 CHADMP CC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1F ZINC000180166988 329218183 /nfs/dbraw/zinc/21/81/83/329218183.db2.gz KQNXKXXQXDGSQY-GOSISDBHSA-N 2 1 290.426 3.741 20 0 CHADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000583110939 329313091 /nfs/dbraw/zinc/31/30/91/329313091.db2.gz ARYJUCGGYTXYRD-MAUKXSAKSA-N 2 1 288.479 3.756 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000583110939 329313092 /nfs/dbraw/zinc/31/30/92/329313092.db2.gz ARYJUCGGYTXYRD-MAUKXSAKSA-N 2 1 288.479 3.756 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000583110939 329313093 /nfs/dbraw/zinc/31/30/93/329313093.db2.gz ARYJUCGGYTXYRD-MAUKXSAKSA-N 2 1 288.479 3.756 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000583110939 329313094 /nfs/dbraw/zinc/31/30/94/329313094.db2.gz ARYJUCGGYTXYRD-MAUKXSAKSA-N 2 1 288.479 3.756 20 0 CHADMP CC[NH+](CC)[C@H](C)C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000186585243 329345550 /nfs/dbraw/zinc/34/55/50/329345550.db2.gz OXBOZHMVOMFDOZ-IYXRBSQSSA-N 2 1 294.405 3.675 20 0 CHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CCC(F)(F)CC1 ZINC000459787662 329393495 /nfs/dbraw/zinc/39/34/95/329393495.db2.gz PRSXWWRIFRUXLJ-KGLIPLIRSA-N 2 1 288.426 3.522 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379624750 330143245 /nfs/dbraw/zinc/14/32/45/330143245.db2.gz DYFJFKBDGVQYHD-QFBILLFUSA-N 2 1 286.463 3.962 20 0 CHADMP C[C@H]1C[C@H]([NH2+]C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000379624750 330143247 /nfs/dbraw/zinc/14/32/47/330143247.db2.gz DYFJFKBDGVQYHD-QFBILLFUSA-N 2 1 286.463 3.962 20 0 CHADMP C[C@H](CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21)[N@@H+](C)Cc1ccccc1 ZINC000379649781 330145386 /nfs/dbraw/zinc/14/53/86/330145386.db2.gz PQPYCSZNZIBECX-QXCFHYIPSA-N 2 1 286.463 3.675 20 0 CHADMP CC(C)[C@@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379652706 330145886 /nfs/dbraw/zinc/14/58/86/330145886.db2.gz XTVMYYGAGQSYDF-HZPDHXFCSA-N 2 1 262.441 3.531 20 0 CHADMP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)C1CCC1 ZINC000379639768 330145927 /nfs/dbraw/zinc/14/59/27/330145927.db2.gz BATCKIYURAYLSJ-JKSUJKDBSA-N 2 1 274.452 3.675 20 0 CHADMP CC1(C)CCC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422841535 330157292 /nfs/dbraw/zinc/15/72/92/330157292.db2.gz WINWWXOVOKRJNC-IKGGRYGDSA-N 2 1 272.436 3.648 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccccc1Oc1ccccc1 ZINC000422883511 330159266 /nfs/dbraw/zinc/15/92/66/330159266.db2.gz VDMWKFOBHGQBEV-LSDHHAIUSA-N 2 1 296.414 3.737 20 0 CHADMP C[C@H](CCC[NH3+])Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000422925008 330160732 /nfs/dbraw/zinc/16/07/32/330160732.db2.gz URVFQIYGCYVIRU-CVEARBPZSA-N 2 1 289.467 3.600 20 0 CHADMP CC1(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCCC1 ZINC000422952058 330164034 /nfs/dbraw/zinc/16/40/34/330164034.db2.gz BLTMJTPPCCAALJ-IAGOWNOFSA-N 2 1 272.436 3.650 20 0 CHADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CCC34CCCC4)CC[NH2+]2)cc1 ZINC000423068857 330168274 /nfs/dbraw/zinc/16/82/74/330168274.db2.gz ABSBMFSFEOHKFT-BZSNNMDCSA-N 2 1 284.447 3.792 20 0 CHADMP Cc1cc2cc(C[NH2+][C@H]3C[C@H]([NH3+])c4ccccc43)ccc2[nH]1 ZINC000423101145 330170192 /nfs/dbraw/zinc/17/01/92/330170192.db2.gz CNRPJWGKGQKFQA-HKUYNNGSSA-N 2 1 291.398 3.711 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(F)c2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000423130902 330171783 /nfs/dbraw/zinc/17/17/83/330171783.db2.gz SMYRNHHEMHNDJN-JCGVRSQUSA-N 2 1 286.394 3.770 20 0 CHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(F)c2ccccc21)[C@H]1CCC[NH2+]1 ZINC000423130906 330171976 /nfs/dbraw/zinc/17/19/76/330171976.db2.gz SMYRNHHEMHNDJN-VEVIJQCQSA-N 2 1 286.394 3.770 20 0 CHADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1cc2ccccc2o1 ZINC000423178937 330175180 /nfs/dbraw/zinc/17/51/80/330175180.db2.gz LIYQJSAZZYEHNS-ZDUSSCGKSA-N 2 1 272.392 3.745 20 0 CHADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccccc1OC(F)F ZINC000423183396 330175497 /nfs/dbraw/zinc/17/54/97/330175497.db2.gz RPDJZFNNHTTWTJ-LBPRGKRZSA-N 2 1 298.377 3.600 20 0 CHADMP [NH3+]CCC[NH2+][C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000423186922 330175763 /nfs/dbraw/zinc/17/57/63/330175763.db2.gz KOQIKYRTQOFYMP-MRXNPFEDSA-N 2 1 292.785 3.507 20 0 CHADMP CCC[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccccn1 ZINC000423200040 330176480 /nfs/dbraw/zinc/17/64/80/330176480.db2.gz LNCCTYRFAMININ-HNNXBMFYSA-N 2 1 275.440 3.564 20 0 CHADMP CC(C)C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccccn1 ZINC000423198822 330176492 /nfs/dbraw/zinc/17/64/92/330176492.db2.gz ICTJNYWABHTZBN-KRWDZBQOSA-N 2 1 289.467 3.810 20 0 CHADMP COc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCCCC2)cc1F ZINC000423203659 330177148 /nfs/dbraw/zinc/17/71/48/330177148.db2.gz SVWOCYGRJFKCHR-CYBMUJFWSA-N 2 1 294.414 3.537 20 0 CHADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000423258483 330183509 /nfs/dbraw/zinc/18/35/09/330183509.db2.gz BODAGHORSNNLMJ-RNCFNFMXSA-N 2 1 275.223 3.627 20 0 CHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H](C)c2ccsc21 ZINC000423260434 330183803 /nfs/dbraw/zinc/18/38/03/330183803.db2.gz HLMHESUVETZUAM-YRGRVCCFSA-N 2 1 266.454 3.650 20 0 CHADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1nccc2ccccc21 ZINC000423264733 330184177 /nfs/dbraw/zinc/18/41/77/330184177.db2.gz QHDWDHQMYKVONU-KSSFIOAISA-N 2 1 297.446 3.793 20 0 CHADMP CC(C)=CCC[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423269595 330184305 /nfs/dbraw/zinc/18/43/05/330184305.db2.gz VXADBZUQBAMAAB-HOCLYGCPSA-N 2 1 252.446 3.619 20 0 CHADMP CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423277471 330185017 /nfs/dbraw/zinc/18/50/17/330185017.db2.gz OEMKGPNPPYFETP-UKRRQHHQSA-N 2 1 298.883 3.538 20 0 CHADMP CC(C)Sc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000423281371 330185336 /nfs/dbraw/zinc/18/53/36/330185336.db2.gz BDFNUMLAFIWCPD-GFCCVEGCSA-N 2 1 266.454 3.575 20 0 CHADMP CC(C)Sc1ccc([C@@H](C)[NH2+][C@@H](CN)C2CC2)cc1 ZINC000423280154 330185531 /nfs/dbraw/zinc/18/55/31/330185531.db2.gz SHZOGQCCWJGJNV-WBMJQRKESA-N 2 1 278.465 3.575 20 0 CHADMP CC(C)Sc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000423280154 330185533 /nfs/dbraw/zinc/18/55/33/330185533.db2.gz SHZOGQCCWJGJNV-WBMJQRKESA-N 2 1 278.465 3.575 20 0 CHADMP C[NH2+]C[C@H](C)C[NH2+][C@H](c1ccccc1)c1ccccc1C ZINC000423283064 330185704 /nfs/dbraw/zinc/18/57/04/330185704.db2.gz WZZUFZUFHWGAAY-HNAYVOBHSA-N 2 1 282.431 3.530 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000423294284 330188121 /nfs/dbraw/zinc/18/81/21/330188121.db2.gz BSTLFIKCNUOIIQ-BXUZGUMPSA-N 2 1 254.805 3.508 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000423297830 330188549 /nfs/dbraw/zinc/18/85/49/330188549.db2.gz MBHRBOKZWATKPK-BXUZGUMPSA-N 2 1 254.805 3.508 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000423298128 330188732 /nfs/dbraw/zinc/18/87/32/330188732.db2.gz NHARIQPQWURROR-GOEBONIOSA-N 2 1 278.440 3.642 20 0 CHADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423302024 330188945 /nfs/dbraw/zinc/18/89/45/330188945.db2.gz VAGVKKMNYCWDDV-KXBFYZLASA-N 2 1 297.446 3.917 20 0 CHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000423303962 330189010 /nfs/dbraw/zinc/18/90/10/330189010.db2.gz XVDNLCWMCUIPPX-KZNAEPCWSA-N 2 1 274.452 3.505 20 0 CHADMP CC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000423312261 330189544 /nfs/dbraw/zinc/18/95/44/330189544.db2.gz DBCHQZOMPMEGQW-KGLIPLIRSA-N 2 1 287.234 3.771 20 0 CHADMP C[C@H](C[NH3+])[NH2+][C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000423315657 330189741 /nfs/dbraw/zinc/18/97/41/330189741.db2.gz AFBBUOXAMJMFSB-KCXAZCMYSA-N 2 1 280.843 3.693 20 0 CHADMP [NH3+][C@H](C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1)C1CC1 ZINC000423313174 330189881 /nfs/dbraw/zinc/18/98/81/330189881.db2.gz FGWSNIGBKHQCOE-CABCVRRESA-N 2 1 299.245 3.771 20 0 CHADMP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000423316559 330189993 /nfs/dbraw/zinc/18/99/93/330189993.db2.gz BUYFJOJRMHNEQN-GFCCVEGCSA-N 2 1 272.392 3.527 20 0 CHADMP CC(C)Sc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423317879 330190047 /nfs/dbraw/zinc/19/00/47/330190047.db2.gz KUCZZZNYBGTMSB-BLLLJJGKSA-N 2 1 278.465 3.575 20 0 CHADMP Cc1ccc2cc([C@@H](C)[NH2+]C[C@]3(C)CCC[NH2+]C3)oc2c1 ZINC000423327157 330190511 /nfs/dbraw/zinc/19/05/11/330190511.db2.gz CXSXKBVHBQKWQB-RDTXWAMCSA-N 2 1 286.419 3.782 20 0 CHADMP CC(C)[C@H]([NH2+]CC1([NH3+])CCC1)c1cc2ccccc2o1 ZINC000423326988 330190586 /nfs/dbraw/zinc/19/05/86/330190586.db2.gz MQLUCQIGOGCWLK-INIZCTEOSA-N 2 1 272.392 3.601 20 0 CHADMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-c2c(F)cccc2F)cc1 ZINC000423341500 330192057 /nfs/dbraw/zinc/19/20/57/330192057.db2.gz XYCBSUIDRBGFBL-NEPJUHHUSA-N 2 1 290.357 3.630 20 0 CHADMP C[C@@H](C[NH3+])[NH2+][C@H](Cc1ccccc1Cl)c1cccs1 ZINC000423361593 330193652 /nfs/dbraw/zinc/19/36/52/330193652.db2.gz AHBBIACNASJJHP-SMDDNHRTSA-N 2 1 294.851 3.622 20 0 CHADMP CCC[C@H]([NH2+][C@@H](C)C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000423362838 330194049 /nfs/dbraw/zinc/19/40/49/330194049.db2.gz IJYXPORFRMECQF-ZANVPECISA-N 2 1 275.223 3.771 20 0 CHADMP CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cccc(Cl)c1F ZINC000423367731 330194615 /nfs/dbraw/zinc/19/46/15/330194615.db2.gz RJSHUUCRFOVWAI-RISCZKNCSA-N 2 1 284.806 3.662 20 0 CHADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(-c2ccccc2)o1 ZINC000423365347 330194683 /nfs/dbraw/zinc/19/46/83/330194683.db2.gz BOBHCNNXDVIPEZ-FMKPAKJESA-N 2 1 284.403 3.738 20 0 CHADMP Cc1ccc([C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C2CCCC2)o1 ZINC000423371304 330195270 /nfs/dbraw/zinc/19/52/70/330195270.db2.gz VBECHXIHDTYOOL-WBVHZDCISA-N 2 1 276.424 3.551 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)c2ccc(F)cc2)CC[NH2+]1 ZINC000423373751 330195549 /nfs/dbraw/zinc/19/55/49/330195549.db2.gz JKYKBXYIPIRWPV-NIKGAXFTSA-N 2 1 298.405 3.645 20 0 CHADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cc2cc(Cl)ccc2o1 ZINC000423377435 330198704 /nfs/dbraw/zinc/19/87/04/330198704.db2.gz YSVJZFYFBWCBMY-SMDDNHRTSA-N 2 1 292.810 3.879 20 0 CHADMP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000423452444 330203160 /nfs/dbraw/zinc/20/31/60/330203160.db2.gz WIFDXRAGGYLPSH-WOPDTQHZSA-N 2 1 289.448 3.505 20 0 CHADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000423459461 330203880 /nfs/dbraw/zinc/20/38/80/330203880.db2.gz IBQWXGYXYAUTQG-YOEHRIQHSA-N 2 1 298.430 3.750 20 0 CHADMP CCC[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccsc1 ZINC000423498289 330208154 /nfs/dbraw/zinc/20/81/54/330208154.db2.gz HWZABWBJFCNHJE-HUUCEWRRSA-N 2 1 266.454 3.696 20 0 CHADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000423512505 330209381 /nfs/dbraw/zinc/20/93/81/330209381.db2.gz UTAMHPZYVBVSRF-IIYDPXPESA-N 2 1 294.870 3.939 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000527649825 330272165 /nfs/dbraw/zinc/27/21/65/330272165.db2.gz KOTFVLVOVGQMKE-RTBURBONSA-N 2 1 297.446 3.898 20 0 CHADMP Cc1cccc([C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C(C)C)c1 ZINC000527848865 330287963 /nfs/dbraw/zinc/28/79/63/330287963.db2.gz KFSMMYVLWZLEQP-LPHOPBHVSA-N 2 1 286.463 3.766 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cccc(C(C)C)c1 ZINC000527852321 330288394 /nfs/dbraw/zinc/28/83/94/330288394.db2.gz CJBKLZGXCLTTLT-AWEZNQCLSA-N 2 1 271.408 3.666 20 0 CHADMP CC(C)c1cccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000527876398 330291297 /nfs/dbraw/zinc/29/12/97/330291297.db2.gz NAZPPHSMFPVKGP-HNNXBMFYSA-N 2 1 272.436 3.723 20 0 CHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C1CCC1)C1CCC1 ZINC000527926080 330296598 /nfs/dbraw/zinc/29/65/98/330296598.db2.gz OJVUDAGHJLLYLJ-GLJUWKHASA-N 2 1 278.484 3.521 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000424188944 330321992 /nfs/dbraw/zinc/32/19/92/330321992.db2.gz CTQVFVMBMJQVCC-GEALJGNFSA-N 2 1 298.474 3.818 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000424188944 330321993 /nfs/dbraw/zinc/32/19/93/330321993.db2.gz CTQVFVMBMJQVCC-GEALJGNFSA-N 2 1 298.474 3.818 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000533072664 330326869 /nfs/dbraw/zinc/32/68/69/330326869.db2.gz WZBXYBBOSYBNBI-IEBWSBKVSA-N 2 1 288.479 3.774 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000533072664 330326870 /nfs/dbraw/zinc/32/68/70/330326870.db2.gz WZBXYBBOSYBNBI-IEBWSBKVSA-N 2 1 288.479 3.774 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000533072664 330326871 /nfs/dbraw/zinc/32/68/71/330326871.db2.gz WZBXYBBOSYBNBI-IEBWSBKVSA-N 2 1 288.479 3.774 20 0 CHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000044533113 330329805 /nfs/dbraw/zinc/32/98/05/330329805.db2.gz AWDUOWBXJYXDTQ-GJZGRUSLSA-N 2 1 286.419 3.734 20 0 CHADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044533113 330329806 /nfs/dbraw/zinc/32/98/06/330329806.db2.gz AWDUOWBXJYXDTQ-GJZGRUSLSA-N 2 1 286.419 3.734 20 0 CHADMP CC(C)Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534592 330329892 /nfs/dbraw/zinc/32/98/92/330329892.db2.gz FHZWOOBSUGIPED-WMZOPIPTSA-N 2 1 288.479 3.878 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc2ccccc21 ZINC000044534676 330329899 /nfs/dbraw/zinc/32/98/99/330329899.db2.gz WCBNBWFIOAITNW-HZPDHXFCSA-N 2 1 282.431 3.832 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc2ccccc2c1 ZINC000044535111 330330047 /nfs/dbraw/zinc/33/00/47/330330047.db2.gz GVFPGJWSLLOYAZ-HZPDHXFCSA-N 2 1 282.431 3.832 20 0 CHADMP CCC(C)(C)C1CCC([NH2+]C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000044535150 330330080 /nfs/dbraw/zinc/33/00/80/330330080.db2.gz AWUNAHRBQYSQNI-KLAILNCOSA-N 2 1 280.500 3.913 20 0 CHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424328364 330341641 /nfs/dbraw/zinc/34/16/41/330341641.db2.gz NZVPURQPEXLUGK-XWPNQZOQSA-N 2 1 298.474 3.675 20 0 CHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424328364 330341642 /nfs/dbraw/zinc/34/16/42/330341642.db2.gz NZVPURQPEXLUGK-XWPNQZOQSA-N 2 1 298.474 3.675 20 0 CHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H]2C[C@H]4C[C@H]4C2)C3)cc1 ZINC000424342860 330342944 /nfs/dbraw/zinc/34/29/44/330342944.db2.gz GFWTVRXXJKAKSZ-FXYHRWFLSA-N 2 1 296.458 3.570 20 0 CHADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000045692238 330348769 /nfs/dbraw/zinc/34/87/69/330348769.db2.gz PBZHJZWUMBNEJM-KTAKPFMOSA-N 2 1 294.870 3.906 20 0 CHADMP CCCCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000117883725 330366331 /nfs/dbraw/zinc/36/63/31/330366331.db2.gz WVXPRBXDUJFEJI-UHFFFAOYSA-N 2 1 274.452 3.773 20 0 CHADMP CCCCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000117883725 330366332 /nfs/dbraw/zinc/36/63/32/330366332.db2.gz WVXPRBXDUJFEJI-UHFFFAOYSA-N 2 1 274.452 3.773 20 0 CHADMP CC[N@H+]1CC[C@H](NCc2ccc(C)cc2SC)[C@H](C)C1 ZINC000119271371 330371550 /nfs/dbraw/zinc/37/15/50/330371550.db2.gz DMQBWLNZMZSTTH-ZBFHGGJFSA-N 2 1 292.492 3.537 20 0 CHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2SC)[C@H](C)C1 ZINC000119271371 330371552 /nfs/dbraw/zinc/37/15/52/330371552.db2.gz DMQBWLNZMZSTTH-ZBFHGGJFSA-N 2 1 292.492 3.537 20 0 CHADMP CCCCC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088163828 330375006 /nfs/dbraw/zinc/37/50/06/330375006.db2.gz DXNBLHQMGQXSRT-WZYMTQMTSA-N 2 1 252.446 3.560 20 0 CHADMP CCCCC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088163828 330375007 /nfs/dbraw/zinc/37/50/07/330375007.db2.gz DXNBLHQMGQXSRT-WZYMTQMTSA-N 2 1 252.446 3.560 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC2CC2)cc1 ZINC000090118463 330390637 /nfs/dbraw/zinc/39/06/37/330390637.db2.gz VIFABWPGNRLZSL-CYBMUJFWSA-N 2 1 269.392 3.631 20 0 CHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC2CC2)cc1 ZINC000090118464 330390687 /nfs/dbraw/zinc/39/06/87/330390687.db2.gz VIFABWPGNRLZSL-ZDUSSCGKSA-N 2 1 269.392 3.631 20 0 CHADMP CC(C)[NH2+]C1CC[NH+](Cc2ccc3c(c2)CCCC3)CC1 ZINC000430247362 330565197 /nfs/dbraw/zinc/56/51/97/330565197.db2.gz VDKCDCDNVQMJEX-UHFFFAOYSA-N 2 1 286.463 3.528 20 0 CHADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000430694618 330570665 /nfs/dbraw/zinc/57/06/65/330570665.db2.gz DUHZHNHPTNELIY-USXIJHARSA-N 2 1 277.456 3.776 20 0 CHADMP CC[C@@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000157435732 330775547 /nfs/dbraw/zinc/77/55/47/330775547.db2.gz IXPJAADLKYITRS-RCCFBDPRSA-N 2 1 266.388 3.872 20 0 CHADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000449773395 330949128 /nfs/dbraw/zinc/94/91/28/330949128.db2.gz MXWSCSZTQADBGN-RHSMWYFYSA-N 2 1 292.854 3.660 20 0 CHADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000163259745 331010669 /nfs/dbraw/zinc/01/06/69/331010669.db2.gz CVODNTPXIGSOIX-MNOVXSKESA-N 2 1 294.851 3.724 20 0 CHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453067535 331086137 /nfs/dbraw/zinc/08/61/37/331086137.db2.gz XWGZGDVWHRYGCF-MAUKXSAKSA-N 2 1 278.484 3.809 20 0 CHADMP CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCC)C1)C(C)(C)C ZINC000453086555 331087917 /nfs/dbraw/zinc/08/79/17/331087917.db2.gz HZQQKHDVCGYYHF-GJZGRUSLSA-N 2 1 254.462 3.523 20 0 CHADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](C)c3ccsc32)CC1 ZINC000453097640 331088993 /nfs/dbraw/zinc/08/89/93/331088993.db2.gz UTKQFNIGMTVRTB-SWLSCSKDSA-N 2 1 278.465 3.760 20 0 CHADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)C1CCC(F)(F)CC1 ZINC000453388657 331127079 /nfs/dbraw/zinc/12/70/79/331127079.db2.gz BVPUQLYFJRSHBP-CYBMUJFWSA-N 2 1 288.426 3.664 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C2=CCCC2)[C@H]2CCC[C@H]21 ZINC000453405948 331129354 /nfs/dbraw/zinc/12/93/54/331129354.db2.gz SWPKFPIRKKVVHF-IXDOHACOSA-N 2 1 276.468 3.585 20 0 CHADMP C[C@@H]1[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C[C@H]1c1ccccc1 ZINC000453415017 331130156 /nfs/dbraw/zinc/13/01/56/331130156.db2.gz WYMVIDOWSMRTEF-KFKAGJAMSA-N 2 1 286.463 3.643 20 0 CHADMP C[N@@H+](CCCC[NH2+]C1CC(c2ccc(F)cc2)C1)C1CC1 ZINC000453419320 331130441 /nfs/dbraw/zinc/13/04/41/331130441.db2.gz YSOMHFZDGZHCPD-UHFFFAOYSA-N 2 1 290.426 3.536 20 0 CHADMP C/C(=C/c1ccccc1)C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453594947 331135350 /nfs/dbraw/zinc/13/53/50/331135350.db2.gz ITRNJKQGAVFGGX-PEZBUJJGSA-N 2 1 272.436 3.554 20 0 CHADMP CCC(CC)[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cccs1 ZINC000459393160 331279769 /nfs/dbraw/zinc/27/97/69/331279769.db2.gz MCQLCESBFAWMDC-MRXNPFEDSA-N 2 1 291.464 3.791 20 0 CHADMP CCCC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCC1 ZINC000459550607 331287307 /nfs/dbraw/zinc/28/73/07/331287307.db2.gz KBSDPXXVJNDTAN-QGZVFWFLSA-N 2 1 264.457 3.562 20 0 CHADMP CC(C)[C@@H](C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000459725027 331296013 /nfs/dbraw/zinc/29/60/13/331296013.db2.gz AWWPQLNBNAPTQD-PKOBYXMFSA-N 2 1 288.479 3.748 20 0 CHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cc2ccccc2o1 ZINC000459732680 331296739 /nfs/dbraw/zinc/29/67/39/331296739.db2.gz MNMMNLOFENQHJF-GJZGRUSLSA-N 2 1 286.419 3.815 20 0 CHADMP c1cc(C2CCCC2)ccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000462795060 331329410 /nfs/dbraw/zinc/32/94/10/331329410.db2.gz MDXCRJDUOGYJIQ-QGZVFWFLSA-N 2 1 298.474 3.918 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000474814455 331600595 /nfs/dbraw/zinc/60/05/95/331600595.db2.gz GZPJXSMEFBIABO-DLBZAZTESA-N 2 1 277.456 3.776 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000479240598 331722585 /nfs/dbraw/zinc/72/25/85/331722585.db2.gz FSHXMNOGVTUOBZ-MRXNPFEDSA-N 2 1 280.843 3.649 20 0 CHADMP CC(C)[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)CS1 ZINC000488419648 332006133 /nfs/dbraw/zinc/00/61/33/332006133.db2.gz HGALUJJZROOULT-RDJZCZTQSA-N 2 1 298.540 3.761 20 0 CHADMP C[C@@H]1C[C@@H]1C[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000488422101 332006250 /nfs/dbraw/zinc/00/62/50/332006250.db2.gz UOXPXFSOCGUORR-PSBWJHGTSA-N 2 1 286.463 3.533 20 0 CHADMP CC(C)[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)CS1 ZINC000488432043 332007713 /nfs/dbraw/zinc/00/77/13/332007713.db2.gz LGLOVZYLDVCOAO-IKGGRYGDSA-N 2 1 298.540 3.761 20 0 CHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CC(C(C)C)C2)c1 ZINC000488435825 332008114 /nfs/dbraw/zinc/00/81/14/332008114.db2.gz WFDITBPRLMALNU-UHFFFAOYSA-N 2 1 274.452 3.663 20 0 CHADMP CC(C)C1CC([NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000488509292 332014718 /nfs/dbraw/zinc/01/47/18/332014718.db2.gz VNICXEPIQCPGOD-NJINODPHSA-N 2 1 278.484 3.664 20 0 CHADMP Cc1cc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)oc1C ZINC000502695809 332669011 /nfs/dbraw/zinc/66/90/11/332669011.db2.gz AMCBSOUINIMWSO-DZGCQCFKSA-N 2 1 278.440 3.669 20 0 CHADMP C[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000513047685 333001395 /nfs/dbraw/zinc/00/13/95/333001395.db2.gz UPUOORTUXDBASL-WBVHZDCISA-N 2 1 274.452 3.533 20 0 CHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000513111776 333004874 /nfs/dbraw/zinc/00/48/74/333004874.db2.gz MJHINGVVAHEFKT-MJBXVCDLSA-N 2 1 292.389 3.572 20 0 CHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000513111776 333004876 /nfs/dbraw/zinc/00/48/76/333004876.db2.gz MJHINGVVAHEFKT-MJBXVCDLSA-N 2 1 292.389 3.572 20 0 CHADMP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c(C)c1 ZINC000513652796 333029339 /nfs/dbraw/zinc/02/93/39/333029339.db2.gz BWAYTYXBLXGLJF-QRQLOZEOSA-N 2 1 286.463 3.574 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3ccccc3c2)[C@H]2CCC[C@@H]21 ZINC000513668370 333030995 /nfs/dbraw/zinc/03/09/95/333030995.db2.gz XNSADEMSFIQZFF-AABGKKOBSA-N 2 1 294.442 3.802 20 0 CHADMP Cc1cc(N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000309716336 333047872 /nfs/dbraw/zinc/04/78/72/333047872.db2.gz LYKOXKBOXOWJIM-WMZOPIPTSA-N 2 1 295.430 3.713 20 0 CHADMP Cc1cc(C)cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000517536614 333101520 /nfs/dbraw/zinc/10/15/20/333101520.db2.gz TZVHDYGYTDLRNX-MRXNPFEDSA-N 2 1 288.479 3.905 20 0 CHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccc(Cl)o2)C1 ZINC000517537122 333101593 /nfs/dbraw/zinc/10/15/93/333101593.db2.gz FKSMCXHHWXDCNT-OKILXGFUSA-N 2 1 298.858 3.781 20 0 CHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CCC3)C2)s1 ZINC000517572825 333103018 /nfs/dbraw/zinc/10/30/18/333103018.db2.gz RUNWVDABAQZJEH-MRXNPFEDSA-N 2 1 292.492 3.610 20 0 CHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CCC3)C2)s1 ZINC000517572825 333103019 /nfs/dbraw/zinc/10/30/19/333103019.db2.gz RUNWVDABAQZJEH-MRXNPFEDSA-N 2 1 292.492 3.610 20 0 CHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CCC3)C2)s1 ZINC000517572825 333103020 /nfs/dbraw/zinc/10/30/20/333103020.db2.gz RUNWVDABAQZJEH-MRXNPFEDSA-N 2 1 292.492 3.610 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000336868597 335122498 /nfs/dbraw/zinc/12/24/98/335122498.db2.gz XSZGFEINRVDDFJ-ZYSHUDEJSA-N 2 1 297.446 3.754 20 0 CHADMP CCC1(C)CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000521185157 333114132 /nfs/dbraw/zinc/11/41/32/333114132.db2.gz WUJIQQLQWJEUCA-MSJJKYGJSA-N 2 1 264.457 3.560 20 0 CHADMP Cc1cncc([C@H](C)[NH2+]CCC[N@H+](C)C2CCCCC2)c1 ZINC000184265641 333126318 /nfs/dbraw/zinc/12/63/18/333126318.db2.gz OYSKGOATIQIUJK-INIZCTEOSA-N 2 1 289.467 3.695 20 0 CHADMP Cc1cncc([C@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)c1 ZINC000184265641 333126320 /nfs/dbraw/zinc/12/63/20/333126320.db2.gz OYSKGOATIQIUJK-INIZCTEOSA-N 2 1 289.467 3.695 20 0 CHADMP CC(C)[C@@H]1CCc2ccccc2[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000184953973 333133776 /nfs/dbraw/zinc/13/37/76/333133776.db2.gz SWMAIMGATMABTF-HKUYNNGSSA-N 2 1 286.463 3.630 20 0 CHADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000219151492 333142750 /nfs/dbraw/zinc/14/27/50/333142750.db2.gz OXANQHIIDSFOJK-CYBMUJFWSA-N 2 1 296.405 3.736 20 0 CHADMP C[C@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C1CCSCC1 ZINC000187048451 333167715 /nfs/dbraw/zinc/16/77/15/333167715.db2.gz NTLFQUSHPQSZHS-CABCVRRESA-N 2 1 298.540 3.618 20 0 CHADMP C[C@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1)C1CCSCC1 ZINC000187048451 333167717 /nfs/dbraw/zinc/16/77/17/333167717.db2.gz NTLFQUSHPQSZHS-CABCVRRESA-N 2 1 298.540 3.618 20 0 CHADMP Cc1ncc(C[NH2+][C@H](C)c2cc(Cl)ccc2Cl)n1C ZINC000521900442 333197141 /nfs/dbraw/zinc/19/71/41/333197141.db2.gz MWRXJGGDWIXUFH-SECBINFHSA-N 2 1 298.217 3.886 20 0 CHADMP C[C@@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1Cl ZINC000223737395 333211680 /nfs/dbraw/zinc/21/16/80/333211680.db2.gz OYXGLDJYNDHKFI-DMDPSCGWSA-N 2 1 284.806 3.612 20 0 CHADMP C[C@@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1ccc(F)cc1Cl ZINC000223737395 333211682 /nfs/dbraw/zinc/21/16/82/333211682.db2.gz OYXGLDJYNDHKFI-DMDPSCGWSA-N 2 1 284.806 3.612 20 0 CHADMP CC[C@@H]1c2ccsc2CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000195632372 333258099 /nfs/dbraw/zinc/25/80/99/333258099.db2.gz RALZVOOODDPEAS-MRXNPFEDSA-N 2 1 292.492 3.933 20 0 CHADMP CC[C@@H]1c2ccsc2CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000195632372 333258100 /nfs/dbraw/zinc/25/81/00/333258100.db2.gz RALZVOOODDPEAS-MRXNPFEDSA-N 2 1 292.492 3.933 20 0 CHADMP CC[NH+](CC)C[C@H](C)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000228131666 333295016 /nfs/dbraw/zinc/29/50/16/333295016.db2.gz OIEABEQRQILFPD-HSBZDZAISA-N 2 1 294.405 3.675 20 0 CHADMP C[C@H](C[NH2+]CC(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC000237516862 333379993 /nfs/dbraw/zinc/37/99/93/333379993.db2.gz FWZJAIFJDXWUCG-MRXNPFEDSA-N 2 1 274.452 3.644 20 0 CHADMP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000322270840 333413030 /nfs/dbraw/zinc/41/30/30/333413030.db2.gz KHSZFMDBHBFGNN-LJQANCHMSA-N 2 1 286.463 3.819 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000576022421 335142616 /nfs/dbraw/zinc/14/26/16/335142616.db2.gz FGDFPJGHEJXAKR-SZMVWBNQSA-N 2 1 274.452 3.500 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000576022421 335142618 /nfs/dbraw/zinc/14/26/18/335142618.db2.gz FGDFPJGHEJXAKR-SZMVWBNQSA-N 2 1 274.452 3.500 20 0 CHADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000576022418 335142675 /nfs/dbraw/zinc/14/26/75/335142675.db2.gz FGDFPJGHEJXAKR-CGTJXYLNSA-N 2 1 274.452 3.500 20 0 CHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000576022418 335142676 /nfs/dbraw/zinc/14/26/76/335142676.db2.gz FGDFPJGHEJXAKR-CGTJXYLNSA-N 2 1 274.452 3.500 20 0 CHADMP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)C1CC1 ZINC000125183182 333564682 /nfs/dbraw/zinc/56/46/82/333564682.db2.gz QSPJXRLLKBMZOT-BEFAXECRSA-N 2 1 286.463 3.990 20 0 CHADMP Cc1ccc([C@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)C2CCC2)o1 ZINC000543592972 333882653 /nfs/dbraw/zinc/88/26/53/333882653.db2.gz ZDSBRKABYFJZKQ-JFIYKMOQSA-N 2 1 290.451 3.892 20 0 CHADMP CCc1ccc([C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)o1 ZINC000545518041 333985824 /nfs/dbraw/zinc/98/58/24/333985824.db2.gz LUHFOTZVSXFBDU-AWEZNQCLSA-N 2 1 278.440 3.615 20 0 CHADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000545894225 334004610 /nfs/dbraw/zinc/00/46/10/334004610.db2.gz IUAPZRMYHLZCCW-HZPDHXFCSA-N 2 1 282.431 3.784 20 0 CHADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076002078 334065865 /nfs/dbraw/zinc/06/58/65/334065865.db2.gz LYOOWHYPBOQGCH-AEFFLSMTSA-N 2 1 274.452 3.801 20 0 CHADMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000564323161 334095543 /nfs/dbraw/zinc/09/55/43/334095543.db2.gz DLLLZIJYADUHBB-BEFAXECRSA-N 2 1 282.431 3.612 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2ccccc2c1 ZINC000564323161 334095544 /nfs/dbraw/zinc/09/55/44/334095544.db2.gz DLLLZIJYADUHBB-BEFAXECRSA-N 2 1 282.431 3.612 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2ccccc2c1 ZINC000564323161 334095545 /nfs/dbraw/zinc/09/55/45/334095545.db2.gz DLLLZIJYADUHBB-BEFAXECRSA-N 2 1 282.431 3.612 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc2ccccc2c1 ZINC000564323161 334095546 /nfs/dbraw/zinc/09/55/46/334095546.db2.gz DLLLZIJYADUHBB-BEFAXECRSA-N 2 1 282.431 3.612 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000564323161 334095547 /nfs/dbraw/zinc/09/55/47/334095547.db2.gz DLLLZIJYADUHBB-BEFAXECRSA-N 2 1 282.431 3.612 20 0 CHADMP C[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)[C@@H]2CCCC[C@@H]12 ZINC000547737599 334113502 /nfs/dbraw/zinc/11/35/02/334113502.db2.gz ZZKPMJSVJIYBRL-FGTMMUONSA-N 2 1 278.484 3.763 20 0 CHADMP C[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)[C@@H]2CCCC[C@@H]12 ZINC000547737599 334113503 /nfs/dbraw/zinc/11/35/03/334113503.db2.gz ZZKPMJSVJIYBRL-FGTMMUONSA-N 2 1 278.484 3.763 20 0 CHADMP CCC(CC)[N@H+](CCC[NH+]1CCCCC1)C1CC1 ZINC000548721573 334167334 /nfs/dbraw/zinc/16/73/34/334167334.db2.gz ZGRHNQBXRLMIGZ-UHFFFAOYSA-N 2 1 252.446 3.515 20 0 CHADMP CCC(CC)[N@@H+](CCC[NH+]1CCCCC1)C1CC1 ZINC000548721573 334167335 /nfs/dbraw/zinc/16/73/35/334167335.db2.gz ZGRHNQBXRLMIGZ-UHFFFAOYSA-N 2 1 252.446 3.515 20 0 CHADMP C[C@H](CC[NH2+][C@H]1CCC[C@H]2C[C@H]21)[N@@H+](C)Cc1ccccc1 ZINC000548884507 334179035 /nfs/dbraw/zinc/17/90/35/334179035.db2.gz PQPYCSZNZIBECX-LULLPPNCSA-N 2 1 286.463 3.675 20 0 CHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)s2)[C@@H](C)C1 ZINC000245417742 334191450 /nfs/dbraw/zinc/19/14/50/334191450.db2.gz GGCYYGRZRZAVAY-WCQYABFASA-N 2 1 286.872 3.564 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)s2)[C@@H](C)C1 ZINC000245417742 334191451 /nfs/dbraw/zinc/19/14/51/334191451.db2.gz GGCYYGRZRZAVAY-WCQYABFASA-N 2 1 286.872 3.564 20 0 CHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)s2)[C@@H](C)C1 ZINC000245417742 334191452 /nfs/dbraw/zinc/19/14/52/334191452.db2.gz GGCYYGRZRZAVAY-WCQYABFASA-N 2 1 286.872 3.564 20 0 CHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)s2)[C@@H](C)C1 ZINC000245417742 334191453 /nfs/dbraw/zinc/19/14/53/334191453.db2.gz GGCYYGRZRZAVAY-WCQYABFASA-N 2 1 286.872 3.564 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccccc2Cl)[C@@H](C)C1 ZINC000245420256 334191890 /nfs/dbraw/zinc/19/18/90/334191890.db2.gz HJPLCBBLVXQASX-YOEHRIQHSA-N 2 1 294.870 3.545 20 0 CHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCc3ccccc32)C1 ZINC000245427147 334191996 /nfs/dbraw/zinc/19/19/96/334191996.db2.gz LVRADUGFSNRJIX-LPHOPBHVSA-N 2 1 286.463 3.728 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000245427147 334191997 /nfs/dbraw/zinc/19/19/97/334191997.db2.gz LVRADUGFSNRJIX-LPHOPBHVSA-N 2 1 286.463 3.728 20 0 CHADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000245427147 334191998 /nfs/dbraw/zinc/19/19/98/334191998.db2.gz LVRADUGFSNRJIX-LPHOPBHVSA-N 2 1 286.463 3.728 20 0 CHADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCc2ccccc2Cl)C1 ZINC000081570067 334197333 /nfs/dbraw/zinc/19/73/33/334197333.db2.gz AOMRHGYZBNYSOB-OAHLLOKOSA-N 2 1 294.870 3.546 20 0 CHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCc2ccccc2Cl)C1 ZINC000081570067 334197334 /nfs/dbraw/zinc/19/73/34/334197334.db2.gz AOMRHGYZBNYSOB-OAHLLOKOSA-N 2 1 294.870 3.546 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCc2ccccc2Cl)C1 ZINC000081570067 334197336 /nfs/dbraw/zinc/19/73/36/334197336.db2.gz AOMRHGYZBNYSOB-OAHLLOKOSA-N 2 1 294.870 3.546 20 0 CHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCc2ccccc2Cl)C1 ZINC000081570067 334197337 /nfs/dbraw/zinc/19/73/37/334197337.db2.gz AOMRHGYZBNYSOB-OAHLLOKOSA-N 2 1 294.870 3.546 20 0 CHADMP CC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000245697650 334213269 /nfs/dbraw/zinc/21/32/69/334213269.db2.gz LGKBHGWZPWMGDW-LDLYASANSA-N 2 1 298.474 3.962 20 0 CHADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000245730898 334215753 /nfs/dbraw/zinc/21/57/53/334215753.db2.gz JUCIMRYLWGGQRV-LRDDRELGSA-N 2 1 298.833 3.641 20 0 CHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000245730898 334215754 /nfs/dbraw/zinc/21/57/54/334215754.db2.gz JUCIMRYLWGGQRV-LRDDRELGSA-N 2 1 298.833 3.641 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000245730898 334215757 /nfs/dbraw/zinc/21/57/57/334215757.db2.gz JUCIMRYLWGGQRV-LRDDRELGSA-N 2 1 298.833 3.641 20 0 CHADMP Cc1cc(C)c(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000245748860 334217251 /nfs/dbraw/zinc/21/72/51/334217251.db2.gz NKUYYGHEQJMJIO-WMZOPIPTSA-N 2 1 274.452 3.526 20 0 CHADMP Cc1cc(C)c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000245748860 334217252 /nfs/dbraw/zinc/21/72/52/334217252.db2.gz NKUYYGHEQJMJIO-WMZOPIPTSA-N 2 1 274.452 3.526 20 0 CHADMP Cc1cc(C)c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1C ZINC000245748860 334217253 /nfs/dbraw/zinc/21/72/53/334217253.db2.gz NKUYYGHEQJMJIO-WMZOPIPTSA-N 2 1 274.452 3.526 20 0 CHADMP Cc1cc(C)c(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1C ZINC000245748860 334217254 /nfs/dbraw/zinc/21/72/54/334217254.db2.gz NKUYYGHEQJMJIO-WMZOPIPTSA-N 2 1 274.452 3.526 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)C(C)(C)c2ccccc2)C1 ZINC000246984753 334273373 /nfs/dbraw/zinc/27/33/73/334273373.db2.gz JXHYHKFVKKVEIZ-SJORKVTESA-N 2 1 288.479 3.674 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H](CC2CCC2)c2ccccc2)CC[N@@H+]1C ZINC000245867833 334222155 /nfs/dbraw/zinc/22/21/55/334222155.db2.gz IUVKCVNHBJKIAT-AYOQOUSVSA-N 2 1 286.463 3.990 20 0 CHADMP C[C@@H]1C[C@@H]([NH2+][C@H](CC2CCC2)c2ccccc2)CC[N@H+]1C ZINC000245867833 334222156 /nfs/dbraw/zinc/22/21/56/334222156.db2.gz IUVKCVNHBJKIAT-AYOQOUSVSA-N 2 1 286.463 3.990 20 0 CHADMP CC(C)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550700831 334227208 /nfs/dbraw/zinc/22/72/08/334227208.db2.gz OVAOZLMZAYSRAK-JQHSSLGASA-N 2 1 274.452 3.846 20 0 CHADMP CC(C)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550700831 334227209 /nfs/dbraw/zinc/22/72/09/334227209.db2.gz OVAOZLMZAYSRAK-JQHSSLGASA-N 2 1 274.452 3.846 20 0 CHADMP CCCc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000247019953 334274068 /nfs/dbraw/zinc/27/40/68/334274068.db2.gz UMNVSWOVYZLOCA-YJBOKZPZSA-N 2 1 274.452 3.554 20 0 CHADMP CCCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000247019953 334274069 /nfs/dbraw/zinc/27/40/69/334274069.db2.gz UMNVSWOVYZLOCA-YJBOKZPZSA-N 2 1 274.452 3.554 20 0 CHADMP CCCc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247019953 334274070 /nfs/dbraw/zinc/27/40/70/334274070.db2.gz UMNVSWOVYZLOCA-YJBOKZPZSA-N 2 1 274.452 3.554 20 0 CHADMP CCCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000247019953 334274071 /nfs/dbraw/zinc/27/40/71/334274071.db2.gz UMNVSWOVYZLOCA-YJBOKZPZSA-N 2 1 274.452 3.554 20 0 CHADMP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000247027295 334274183 /nfs/dbraw/zinc/27/41/83/334274183.db2.gz NIYULDTUBNCAML-JZAWBGDQSA-N 2 1 266.473 3.520 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3cc(F)ccc32)C1 ZINC000246089498 334231195 /nfs/dbraw/zinc/23/11/95/334231195.db2.gz WLRAOQLBVXACLD-KSSFIOAISA-N 2 1 290.426 3.525 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)C(C)(C)C)CC[N@@H+]1C ZINC000247037032 334274488 /nfs/dbraw/zinc/27/44/88/334274488.db2.gz MOCLMHCPXMIUHW-DJIMGWMZSA-N 2 1 274.452 3.846 20 0 CHADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)C(C)(C)C)CC[N@H+]1C ZINC000247037032 334274490 /nfs/dbraw/zinc/27/44/90/334274490.db2.gz MOCLMHCPXMIUHW-DJIMGWMZSA-N 2 1 274.452 3.846 20 0 CHADMP C[N@@H+]1CC[C@H]([NH2+]C2CCCCC2)C[C@@H]1c1ccccc1 ZINC000550996312 334235817 /nfs/dbraw/zinc/23/58/17/334235817.db2.gz RINJRTICHNDLIX-ZWKOTPCHSA-N 2 1 272.436 3.744 20 0 CHADMP C[N@H+]1CC[C@H]([NH2+]C2CCCCC2)C[C@@H]1c1ccccc1 ZINC000550996312 334235818 /nfs/dbraw/zinc/23/58/18/334235818.db2.gz RINJRTICHNDLIX-ZWKOTPCHSA-N 2 1 272.436 3.744 20 0 CHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc3ccccc3o2)C1 ZINC000247052831 334274616 /nfs/dbraw/zinc/27/46/16/334274616.db2.gz NIIXPEJQUXOAKF-HUUCEWRRSA-N 2 1 286.419 3.815 20 0 CHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc3ccccc3o2)C1 ZINC000247052831 334274618 /nfs/dbraw/zinc/27/46/18/334274618.db2.gz NIIXPEJQUXOAKF-HUUCEWRRSA-N 2 1 286.419 3.815 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC=C(C)CC2)cc1F ZINC000551270149 334244431 /nfs/dbraw/zinc/24/44/31/334244431.db2.gz LZYQFHCPCYKRHT-MRXNPFEDSA-N 2 1 299.393 3.908 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000246245317 334245544 /nfs/dbraw/zinc/24/55/44/334245544.db2.gz IJRDEHSOOLQGCZ-HYVNUMGLSA-N 2 1 275.440 3.625 20 0 CHADMP Cc1[nH+]ccn1CCCC[N@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000246245317 334245545 /nfs/dbraw/zinc/24/55/45/334245545.db2.gz IJRDEHSOOLQGCZ-HYVNUMGLSA-N 2 1 275.440 3.625 20 0 CHADMP CC1=CC[C@@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000551312856 334246580 /nfs/dbraw/zinc/24/65/80/334246580.db2.gz CNGIGTGRINYNKY-IEBWSBKVSA-N 2 1 286.463 3.985 20 0 CHADMP C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CCCC1 ZINC000246421029 334257137 /nfs/dbraw/zinc/25/71/37/334257137.db2.gz CCDMWHARMYHVBR-FUHWJXTLSA-N 2 1 276.468 3.515 20 0 CHADMP C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CCCC1 ZINC000246421029 334257138 /nfs/dbraw/zinc/25/71/38/334257138.db2.gz CCDMWHARMYHVBR-FUHWJXTLSA-N 2 1 276.468 3.515 20 0 CHADMP C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CCCC1 ZINC000246421029 334257139 /nfs/dbraw/zinc/25/71/39/334257139.db2.gz CCDMWHARMYHVBR-FUHWJXTLSA-N 2 1 276.468 3.515 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccsc2)C1 ZINC000246433239 334257496 /nfs/dbraw/zinc/25/74/96/334257496.db2.gz OAMOTTYSQJUEEX-HUUCEWRRSA-N 2 1 280.481 3.767 20 0 CHADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000247521989 334284218 /nfs/dbraw/zinc/28/42/18/334284218.db2.gz NMNAUPQUMMLZGH-APWZRJJASA-N 2 1 286.463 3.728 20 0 CHADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C=CCCC1 ZINC000247529785 334284489 /nfs/dbraw/zinc/28/44/89/334284489.db2.gz OCOMCFQUCYFCEC-RBUKOAKNSA-N 2 1 284.447 3.549 20 0 CHADMP CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248000974 334293330 /nfs/dbraw/zinc/29/33/30/334293330.db2.gz KJBOCRDQPWUCBA-QXAKKESOSA-N 2 1 288.479 3.860 20 0 CHADMP CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248000974 334293331 /nfs/dbraw/zinc/29/33/31/334293331.db2.gz KJBOCRDQPWUCBA-QXAKKESOSA-N 2 1 288.479 3.860 20 0 CHADMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000248872575 334320071 /nfs/dbraw/zinc/32/00/71/334320071.db2.gz IHOHAGBELLCCMW-DZGCQCFKSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Cl ZINC000248872575 334320073 /nfs/dbraw/zinc/32/00/73/334320073.db2.gz IHOHAGBELLCCMW-DZGCQCFKSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1Cl ZINC000248872575 334320074 /nfs/dbraw/zinc/32/00/74/334320074.db2.gz IHOHAGBELLCCMW-DZGCQCFKSA-N 2 1 280.843 3.563 20 0 CHADMP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1Cl ZINC000248872575 334320076 /nfs/dbraw/zinc/32/00/76/334320076.db2.gz IHOHAGBELLCCMW-DZGCQCFKSA-N 2 1 280.843 3.563 20 0 CHADMP C[C@H](CCC1CC1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000249066279 334326531 /nfs/dbraw/zinc/32/65/31/334326531.db2.gz ZLSNZIZHPIBZFO-HZPDHXFCSA-N 2 1 266.473 3.667 20 0 CHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCC23CCCC3)C1 ZINC000249154543 334328959 /nfs/dbraw/zinc/32/89/59/334328959.db2.gz YKFCYKUZZFFAGE-IRXDYDNUSA-N 2 1 278.484 3.811 20 0 CHADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](C)c2cccc(Cl)c2)C1 ZINC000249461803 334334408 /nfs/dbraw/zinc/33/44/08/334334408.db2.gz FTHBDFYHEFDENN-LSDHHAIUSA-N 2 1 294.870 3.717 20 0 CHADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](C)c2cccc(Cl)c2)C1 ZINC000249461803 334334410 /nfs/dbraw/zinc/33/44/10/334334410.db2.gz FTHBDFYHEFDENN-LSDHHAIUSA-N 2 1 294.870 3.717 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](C)c2cccc(Cl)c2)C1 ZINC000249461803 334334411 /nfs/dbraw/zinc/33/44/11/334334411.db2.gz FTHBDFYHEFDENN-LSDHHAIUSA-N 2 1 294.870 3.717 20 0 CHADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](C)c2cccc(Cl)c2)C1 ZINC000249461803 334334412 /nfs/dbraw/zinc/33/44/12/334334412.db2.gz FTHBDFYHEFDENN-LSDHHAIUSA-N 2 1 294.870 3.717 20 0 CHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000552745274 334343806 /nfs/dbraw/zinc/34/38/06/334343806.db2.gz MNDBJGGHXWOSMR-KSSFIOAISA-N 2 1 290.426 3.598 20 0 CHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CC[C@H](C)c2ccccc2)C1 ZINC000250517280 334345503 /nfs/dbraw/zinc/34/55/03/334345503.db2.gz RBZPSXXIIVDTMZ-DLBZAZTESA-N 2 1 274.452 3.500 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000250900402 334353121 /nfs/dbraw/zinc/35/31/21/334353121.db2.gz NDKLBGVATGHATI-RCBQFDQVSA-N 2 1 278.827 3.617 20 0 CHADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251538935 334363584 /nfs/dbraw/zinc/36/35/84/334363584.db2.gz ARIDXTVOXOLPDO-CPUCHLNUSA-N 2 1 274.452 3.714 20 0 CHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccccc2)C1 ZINC000090585844 334364089 /nfs/dbraw/zinc/36/40/89/334364089.db2.gz ADFAGGNTVKOWDP-DLBZAZTESA-N 2 1 274.452 3.705 20 0 CHADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251608399 334365333 /nfs/dbraw/zinc/36/53/33/334365333.db2.gz DJNCNITVVJWAKN-HBUWYVDXSA-N 2 1 268.404 3.570 20 0 CHADMP CC[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000251836238 334370582 /nfs/dbraw/zinc/37/05/82/334370582.db2.gz QJEQWJZAQUSFNI-DQIHPLBOSA-N 2 1 264.457 3.560 20 0 CHADMP CC[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000251836238 334370584 /nfs/dbraw/zinc/37/05/84/334370584.db2.gz QJEQWJZAQUSFNI-DQIHPLBOSA-N 2 1 264.457 3.560 20 0 CHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000091320996 334376201 /nfs/dbraw/zinc/37/62/01/334376201.db2.gz WTIMKTRUGABYJV-HNAYVOBHSA-N 2 1 297.446 3.877 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000252439657 334379906 /nfs/dbraw/zinc/37/99/06/334379906.db2.gz RENKKHDIGMNJHX-HZPDHXFCSA-N 2 1 288.479 3.977 20 0 CHADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000565155979 334541402 /nfs/dbraw/zinc/54/14/02/334541402.db2.gz IHRLJTBXOMYYRL-JKSUJKDBSA-N 2 1 277.456 3.547 20 0 CHADMP C[C@H]([NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1)c1c[nH+]ccc1N ZINC000565357363 334555109 /nfs/dbraw/zinc/55/51/09/334555109.db2.gz JJFRWWXVTVISCW-BJJXKVORSA-N 2 1 299.393 3.620 20 0 CHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CC(c2ccccc2)C1 ZINC000576693122 335235268 /nfs/dbraw/zinc/23/52/68/335235268.db2.gz RBQGZUCMBIBDCG-FAEJEUNOSA-N 2 1 274.452 3.643 20 0 CHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CC(c2ccccc2)C1 ZINC000576693122 335235270 /nfs/dbraw/zinc/23/52/70/335235270.db2.gz RBQGZUCMBIBDCG-FAEJEUNOSA-N 2 1 274.452 3.643 20 0 CHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)CCC1CCCCCC1 ZINC000577146995 335308847 /nfs/dbraw/zinc/30/88/47/335308847.db2.gz WDUSSAPQSTYYJS-NVXWUHKLSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CCC1CCCCCC1 ZINC000577146995 335308848 /nfs/dbraw/zinc/30/88/48/335308848.db2.gz WDUSSAPQSTYYJS-NVXWUHKLSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)CCC1CCCCCC1 ZINC000577146995 335308849 /nfs/dbraw/zinc/30/88/49/335308849.db2.gz WDUSSAPQSTYYJS-NVXWUHKLSA-N 2 1 266.473 3.619 20 0 CHADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CCC1CCCCCC1 ZINC000577146995 335308850 /nfs/dbraw/zinc/30/88/50/335308850.db2.gz WDUSSAPQSTYYJS-NVXWUHKLSA-N 2 1 266.473 3.619 20 0 CHADMP Cc1ccc([C@H]2CCC[N@H+]2CCCc2c[nH+]cn2C)cc1C ZINC000577228882 335326989 /nfs/dbraw/zinc/32/69/89/335326989.db2.gz PXMCVLAFJVUZNQ-LJQANCHMSA-N 2 1 297.446 3.807 20 0 CHADMP Cc1ccc([C@H]2CCC[N@@H+]2CCCc2c[nH+]cn2C)cc1C ZINC000577228882 335326990 /nfs/dbraw/zinc/32/69/90/335326990.db2.gz PXMCVLAFJVUZNQ-LJQANCHMSA-N 2 1 297.446 3.807 20 0 CHADMP C[C@H]1C[C@@H](CC[NH2+]CC2(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000577328106 335339017 /nfs/dbraw/zinc/33/90/17/335339017.db2.gz ONFLQNDNDJTHII-FUHWJXTLSA-N 2 1 286.463 3.677 20 0 CHADMP Cc1cc([C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)cs1 ZINC000381377097 336060743 /nfs/dbraw/zinc/06/07/43/336060743.db2.gz OHWLUMDSIVCSKI-HNNXBMFYSA-N 2 1 280.481 3.829 20 0 CHADMP CC[N@H+]1CCC[C@H](C[NH2+]CCC2CCCCCC2)C1 ZINC000581455287 336080205 /nfs/dbraw/zinc/08/02/05/336080205.db2.gz CDKBDESRNKGWGY-QGZVFWFLSA-N 2 1 266.473 3.668 20 0 CHADMP CC(C)CC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CCCC1 ZINC000382871960 336098273 /nfs/dbraw/zinc/09/82/73/336098273.db2.gz IWSQEGAVPANEPQ-JKSUJKDBSA-N 2 1 266.473 3.523 20 0 CHADMP C[N@@H+]1CC[C@@H]([NH2+]CC2CCCCC2)C[C@H]1c1ccccc1 ZINC000581838627 336150429 /nfs/dbraw/zinc/15/04/29/336150429.db2.gz WCFPQVOVQQIRIH-MOPGFXCFSA-N 2 1 286.463 3.992 20 0 CHADMP C[N@H+]1CC[C@@H]([NH2+]CC2CCCCC2)C[C@H]1c1ccccc1 ZINC000581838627 336150431 /nfs/dbraw/zinc/15/04/31/336150431.db2.gz WCFPQVOVQQIRIH-MOPGFXCFSA-N 2 1 286.463 3.992 20 0 CHADMP CC(C)CC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000339405323 519652337 /nfs/dbraw/zinc/65/23/37/519652337.db2.gz BAIXBFBVNLWCPM-MRXNPFEDSA-N 2 1 292.492 3.738 20 0 CHADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2nccc3ccccc32)CC1 ZINC000290664152 519672965 /nfs/dbraw/zinc/67/29/65/519672965.db2.gz KVLPBYXJHIXBOV-OAHLLOKOSA-N 2 1 297.446 3.758 20 0 CHADMP CC(C)[NH2+]C1CC[NH+](CCc2ccc3ccccc3c2)CC1 ZINC000265204067 519719265 /nfs/dbraw/zinc/71/92/65/519719265.db2.gz KJNSFIDNKJYFEN-UHFFFAOYSA-N 2 1 296.458 3.845 20 0 CHADMP CC(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)c2ccccc21 ZINC000278271286 519827300 /nfs/dbraw/zinc/82/73/00/519827300.db2.gz PBJYYZSHVWNOSN-QZTJIDSGSA-N 2 1 272.436 3.555 20 0 CHADMP CCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCCC1 ZINC000365201522 519842692 /nfs/dbraw/zinc/84/26/92/519842692.db2.gz JADSEPUZCQEDOY-MQVJKMGUSA-N 2 1 264.457 3.562 20 0 CHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2csc3ccccc23)C1 ZINC000072859411 520248445 /nfs/dbraw/zinc/24/84/45/520248445.db2.gz KCAADUOFECPYOU-AWEZNQCLSA-N 2 1 288.460 3.675 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2csc3ccccc23)C1 ZINC000072859411 520248452 /nfs/dbraw/zinc/24/84/52/520248452.db2.gz KCAADUOFECPYOU-AWEZNQCLSA-N 2 1 288.460 3.675 20 0 CHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2csc3ccccc23)C1 ZINC000072859411 520248456 /nfs/dbraw/zinc/24/84/56/520248456.db2.gz KCAADUOFECPYOU-AWEZNQCLSA-N 2 1 288.460 3.675 20 0 CHADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000068690436 520625384 /nfs/dbraw/zinc/62/53/84/520625384.db2.gz LLLLJQYLYHSYLX-CYBMUJFWSA-N 2 1 291.464 3.679 20 0 CHADMP CC1=C[C@H](C)C[C@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000365660590 520885529 /nfs/dbraw/zinc/88/55/29/520885529.db2.gz GKOSZZMFLIZTSG-FRYFRDGCSA-N 2 1 276.468 3.536 20 0 CHADMP CC1=C[C@H](C)C[C@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000365660590 520885536 /nfs/dbraw/zinc/88/55/36/520885536.db2.gz GKOSZZMFLIZTSG-FRYFRDGCSA-N 2 1 276.468 3.536 20 0 CHADMP CC1=C[C@H](C)C[C@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000365660590 520885546 /nfs/dbraw/zinc/88/55/46/520885546.db2.gz GKOSZZMFLIZTSG-FRYFRDGCSA-N 2 1 276.468 3.536 20 0 CHADMP CCC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000037649494 521162132 /nfs/dbraw/zinc/16/21/32/521162132.db2.gz FWZMQBHBZBPWAT-QAPCUYQASA-N 2 1 272.436 3.602 20 0 CHADMP CCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000129715719 521177990 /nfs/dbraw/zinc/17/79/90/521177990.db2.gz WSAHBGKYOLQWAI-PVAVHDDUSA-N 2 1 260.425 3.600 20 0 CHADMP CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000129715719 521177997 /nfs/dbraw/zinc/17/79/97/521177997.db2.gz WSAHBGKYOLQWAI-PVAVHDDUSA-N 2 1 260.425 3.600 20 0 CHADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3ccc(C)cc3)o2)C1 ZINC000120805376 521717074 /nfs/dbraw/zinc/71/70/74/521717074.db2.gz GQGYIKDQPBZWED-MRXNPFEDSA-N 2 1 298.430 3.686 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3ccc(C)cc3)o2)C1 ZINC000120805376 521717075 /nfs/dbraw/zinc/71/70/75/521717075.db2.gz GQGYIKDQPBZWED-MRXNPFEDSA-N 2 1 298.430 3.686 20 0 CHADMP CC[C@@H](C)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000339407566 521985801 /nfs/dbraw/zinc/98/58/01/521985801.db2.gz PJBGPZYOEOCWOH-GDBMZVCRSA-N 2 1 292.492 3.738 20 0 CHADMP C[NH+](C)[C@@H]1CCC[N@H+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000277340270 522043894 /nfs/dbraw/zinc/04/38/94/522043894.db2.gz WBACWUHTIZXAOD-AEFFLSMTSA-N 2 1 290.426 3.619 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@@H+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000277085304 522098563 /nfs/dbraw/zinc/09/85/63/522098563.db2.gz FOILBNAZSJPBDD-GUYCJALGSA-N 2 1 292.854 3.743 20 0 CHADMP C[NH+](C)[C@H]1CCC[N@H+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000277085304 522098575 /nfs/dbraw/zinc/09/85/75/522098575.db2.gz FOILBNAZSJPBDD-GUYCJALGSA-N 2 1 292.854 3.743 20 0 CHADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(C)cc1 ZINC000037649152 522857396 /nfs/dbraw/zinc/85/73/96/522857396.db2.gz FCBQOFFGWZJELH-MAUKXSAKSA-N 2 1 272.436 3.520 20 0 CHADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226327080 522930701 /nfs/dbraw/zinc/93/07/01/522930701.db2.gz WCMJQMZPEYFBNW-XJKSGUPXSA-N 2 1 280.843 3.852 20 0 CHADMP CC[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000129626108 522948691 /nfs/dbraw/zinc/94/86/91/522948691.db2.gz OKKDMGPFEUHTQZ-UHOFOFEASA-N 2 1 280.843 3.863 20 0 CHADMP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000129626108 522948702 /nfs/dbraw/zinc/94/87/02/522948702.db2.gz OKKDMGPFEUHTQZ-UHOFOFEASA-N 2 1 280.843 3.863 20 0 CHADMP C[N@H+](Cc1ccc(Cl)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746541 523220635 /nfs/dbraw/zinc/22/06/35/523220635.db2.gz LHJQARQRZDGAHK-FUNVUKJBSA-N 2 1 299.245 3.708 20 0 CHADMP C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746541 523220639 /nfs/dbraw/zinc/22/06/39/523220639.db2.gz LHJQARQRZDGAHK-FUNVUKJBSA-N 2 1 299.245 3.708 20 0 CHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccco2)CC1 ZINC000281103532 523342078 /nfs/dbraw/zinc/34/20/78/523342078.db2.gz WCAGJRNQXVYLIV-UHFFFAOYSA-N 2 1 298.430 3.812 20 0 CHADMP Cc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)o1 ZINC000279347662 524440886 /nfs/dbraw/zinc/44/08/86/524440886.db2.gz FVWRRTMUCRLPMG-UHFFFAOYSA-N 2 1 299.418 3.500 20 0 CHADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc2ccccc2s1 ZINC000290359796 524558249 /nfs/dbraw/zinc/55/82/49/524558249.db2.gz GUCGLGNRSFFEGW-BBRMVZONSA-N 2 1 288.460 3.673 20 0 CHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc2ccccc2s1 ZINC000290359796 524558256 /nfs/dbraw/zinc/55/82/56/524558256.db2.gz GUCGLGNRSFFEGW-BBRMVZONSA-N 2 1 288.460 3.673 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc2ccccc2s1 ZINC000290359796 524558263 /nfs/dbraw/zinc/55/82/63/524558263.db2.gz GUCGLGNRSFFEGW-BBRMVZONSA-N 2 1 288.460 3.673 20 0 CHADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc2ccccc2s1 ZINC000290359796 524558267 /nfs/dbraw/zinc/55/82/67/524558267.db2.gz GUCGLGNRSFFEGW-BBRMVZONSA-N 2 1 288.460 3.673 20 0 CHADMP C[C@@H](C[NH2+][C@@H](C)c1nccc2ccccc21)C[NH+]1CCCC1 ZINC000289636434 524752256 /nfs/dbraw/zinc/75/22/56/524752256.db2.gz HMQVTVXOFMMDJH-HOTGVXAUSA-N 2 1 297.446 3.617 20 0 CHADMP C[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCCC2)c2ccsc2S1 ZINC000130252081 524805413 /nfs/dbraw/zinc/80/54/13/524805413.db2.gz CZLTVODSMNWONO-GXTWGEPZSA-N 2 1 296.505 3.749 20 0 CHADMP Cc1cc(Cl)ccc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337273077 524886925 /nfs/dbraw/zinc/88/69/25/524886925.db2.gz OVILUJLPYGUKOS-UHFFFAOYSA-N 2 1 280.843 3.566 20 0 CHADMP Cc1cc(Cl)ccc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337273077 524886937 /nfs/dbraw/zinc/88/69/37/524886937.db2.gz OVILUJLPYGUKOS-UHFFFAOYSA-N 2 1 280.843 3.566 20 0 CHADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(F)c1 ZINC000037786241 525292379 /nfs/dbraw/zinc/29/23/79/525292379.db2.gz OEIHPSZYKSQBTO-ZDUSSCGKSA-N 2 1 278.415 3.739 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc2ccccc2o1 ZINC000037649214 525483899 /nfs/dbraw/zinc/48/38/99/525483899.db2.gz YEVPIGLQYVWGMM-KGLIPLIRSA-N 2 1 284.403 3.568 20 0 CHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc2ccccc2o1 ZINC000037649214 525483905 /nfs/dbraw/zinc/48/39/05/525483905.db2.gz YEVPIGLQYVWGMM-KGLIPLIRSA-N 2 1 284.403 3.568 20 0 CHADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)s1 ZINC000275584169 525506892 /nfs/dbraw/zinc/50/68/92/525506892.db2.gz PFMSQWFCIABUIU-GHMZBOCLSA-N 2 1 295.839 3.511 20 0 CHADMP CSc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649183 526070644 /nfs/dbraw/zinc/07/06/44/526070644.db2.gz NCEYQEHAFMBTIF-KBPBESRZSA-N 2 1 290.476 3.543 20 0 CHADMP CC(C)(C)OCCCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000354890196 526549214 /nfs/dbraw/zinc/54/92/14/526549214.db2.gz KETJUXAZEVOXDM-KRWDZBQOSA-N 2 1 296.499 3.532 20 0 CHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CCCC(C)C)cc1F ZINC000338421211 527374836 /nfs/dbraw/zinc/37/48/36/527374836.db2.gz CBIVOXRCIYITSP-UHFFFAOYSA-N 2 1 289.398 3.846 20 0 CHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(C)cc(Cl)c1 ZINC000339277995 527404883 /nfs/dbraw/zinc/40/48/83/527404883.db2.gz FQNIGOXWUZOYSN-UHFFFAOYSA-N 2 1 291.826 3.723 20 0 CHADMP Cc1[nH+]ccn1CCC[NH2+]C(C)(C)CCc1ccccc1 ZINC000127336667 527419595 /nfs/dbraw/zinc/41/95/95/527419595.db2.gz ATLIGOQKUJVGDJ-UHFFFAOYSA-N 2 1 285.435 3.583 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(F)c2ccccc21 ZINC000289440815 527430590 /nfs/dbraw/zinc/43/05/90/527430590.db2.gz OJYZBTGTDIYVHX-ZDUSSCGKSA-N 2 1 297.377 3.835 20 0 CHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000280812697 527431181 /nfs/dbraw/zinc/43/11/81/527431181.db2.gz IEXFFBKENTUIHK-CHWSQXEVSA-N 2 1 291.826 3.627 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000358080110 527447776 /nfs/dbraw/zinc/44/77/76/527447776.db2.gz FUJACFLIHRNLOV-SQWLQELKSA-N 2 1 277.456 3.632 20 0 CHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000283488254 527447935 /nfs/dbraw/zinc/44/79/35/527447935.db2.gz XRXNGGRAHFRWOA-LTDCPUDJSA-N 2 1 297.446 3.609 20 0 CHADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3C)C2)[C@@H](C)C1 ZINC000366976253 527808876 /nfs/dbraw/zinc/80/88/76/527808876.db2.gz YDRRZKXYZJMRTR-LSTDLKDCSA-N 2 1 286.463 3.561 20 0 CHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](CCC(C)C)c2ccoc2)C1 ZINC000353437151 527815066 /nfs/dbraw/zinc/81/50/66/527815066.db2.gz DGNSHRISKWBOKU-NVXWUHKLSA-N 2 1 278.440 3.688 20 0 CHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3ncccc3c2)C[C@@H]1C ZINC000353748076 527835966 /nfs/dbraw/zinc/83/59/66/527835966.db2.gz PGZMEKVDXGHOGJ-YJBOKZPZSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3ncccc3c2)C[C@@H]1C ZINC000353748076 527835972 /nfs/dbraw/zinc/83/59/72/527835972.db2.gz PGZMEKVDXGHOGJ-YJBOKZPZSA-N 2 1 297.446 3.539 20 0 CHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3ncccc3c2)C[C@@H]1C ZINC000353748076 527835978 /nfs/dbraw/zinc/83/59/78/527835978.db2.gz PGZMEKVDXGHOGJ-YJBOKZPZSA-N 2 1 297.446 3.539 20 0 CHADMP CCC[C@H](CC)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192923753 528104453 /nfs/dbraw/zinc/10/44/53/528104453.db2.gz SVNUNKFBFAYERS-ROUUACIJSA-N 2 1 274.452 3.677 20 0 CHADMP CCCC[C@@H](C)[C@@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000343545611 528764314 /nfs/dbraw/zinc/76/43/14/528764314.db2.gz YWGNIRDLMHAPCH-HUUCEWRRSA-N 2 1 265.445 3.776 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)c1ccccc1 ZINC000191492210 528865063 /nfs/dbraw/zinc/86/50/63/528865063.db2.gz DACBQXOPRXUNKO-INIZCTEOSA-N 2 1 285.435 3.919 20 0 CHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000191492210 528865068 /nfs/dbraw/zinc/86/50/68/528865068.db2.gz DACBQXOPRXUNKO-INIZCTEOSA-N 2 1 285.435 3.919 20 0 CHADMP CC(C)[NH+](CCC[NH2+][C@H]1CCCc2occc21)C(C)C ZINC000192923410 528886405 /nfs/dbraw/zinc/88/64/05/528886405.db2.gz YWWANBOSLBZVSN-INIZCTEOSA-N 2 1 278.440 3.756 20 0 CHADMP CCCC[C@H]1CCC[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352828401 529005559 /nfs/dbraw/zinc/00/55/59/529005559.db2.gz UZKYWNZPGOMMLF-DZGCQCFKSA-N 2 1 295.496 3.653 20 0 CHADMP CCCCc1oc2ccccc2c1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000347137615 529066270 /nfs/dbraw/zinc/06/62/70/529066270.db2.gz UWHGRJQTSQIELN-AWEZNQCLSA-N 2 1 286.419 3.556 20 0 CHADMP